data_9H9X
# 
_entry.id   9H9X 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   9H9X         pdb_00009h9x 10.2210/pdb9h9x/pdb 
WWPDB D_1292142895 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2025-03-05 ? 
2 'Structure model' 1 1 2025-05-07 ? 
# 
_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_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume'          
2 2 'Structure model' '_citation.title'                   
3 2 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9H9X 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-01 
_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                 2 
_pdbx_contact_author.email              g.roelfes@rug.nl 
_pdbx_contact_author.name_first         Gerard 
_pdbx_contact_author.name_last          Roelfes 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-0364-9564 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Thunnissen, A.M.W.H.' 1 ? 
'Jiang, R.'            2 ? 
'Casilli, F.'          3 ? 
'Aalbers, F.'          4 ? 
'Roelfes, G.'          5 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   GE 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Angew.Chem.Int.Ed.Engl. 
_citation.journal_id_ASTM           ACIEAY 
_citation.journal_id_CSD            0179 
_citation.journal_id_ISSN           1521-3773 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            64 
_citation.language                  ? 
_citation.page_first                e202423182 
_citation.page_last                 e202423182 
_citation.title                     
'An Artificial Copper-Michaelase Featuring a Genetically Encoded Bipyridine Ligand for Asymmetric Additions to Nitroalkenes.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/anie.202423182 
_citation.pdbx_database_id_PubMed   39945539 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Jiang, R.'          1 0000-0003-3825-0534 
primary 'Casilli, F.'        2 0009-0007-2699-5439 
primary 'Thunnissen, A.W.H.' 3 0000-0002-1915-9850 
primary 'Roelfes, G.'        4 0000-0002-0364-9564 
# 
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 'Transcriptional regulator, PadR-like family' 15132.048 2 ? 
;Val15 replaced by (2,2'-bipyridin-5-yl)alanine
;
? 
;LmrR with residue Val15 replaced by (2,2'-bipyridin-5-yl)alanine and carrying a C-terminal strep-tag
;
2 water   nat water                                         18.015    9 ? ?                                                ? ? 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   yes 
_entity_poly.pdbx_seq_one_letter_code       
;GAEIPKEMLRAQTN(BP5)ILLNVLKQGDNYVYGIIKQVKEASNGEMELNEATLYTIFKRLEKDGIISSYWGDESQGGRR
KYYRLTEIGHENMRLAFESWSRVDKIIENLEANKKSEAIKSRGGSGGWSHPQFEK
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GAEIPKEMLRAQTNXILLNVLKQGDNYVYGIIKQVKEASNGEMELNEATLYTIFKRLEKDGIISSYWGDESQGGRRKYYR
LTEIGHENMRLAFESWSRVDKIIENLEANKKSEAIKSRGGSGGWSHPQFEK
;
_entity_poly.pdbx_strand_id                 A,B 
_entity_poly.pdbx_target_identifier         ? 
# 
_pdbx_entity_nonpoly.entity_id   2 
_pdbx_entity_nonpoly.name        water 
_pdbx_entity_nonpoly.comp_id     HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   ALA n 
1 3   GLU n 
1 4   ILE n 
1 5   PRO n 
1 6   LYS n 
1 7   GLU n 
1 8   MET n 
1 9   LEU n 
1 10  ARG n 
1 11  ALA n 
1 12  GLN n 
1 13  THR n 
1 14  ASN n 
1 15  BP5 n 
1 16  ILE n 
1 17  LEU n 
1 18  LEU n 
1 19  ASN n 
1 20  VAL n 
1 21  LEU n 
1 22  LYS n 
1 23  GLN n 
1 24  GLY n 
1 25  ASP n 
1 26  ASN n 
1 27  TYR n 
1 28  VAL n 
1 29  TYR n 
1 30  GLY n 
1 31  ILE n 
1 32  ILE n 
1 33  LYS n 
1 34  GLN n 
1 35  VAL n 
1 36  LYS n 
1 37  GLU n 
1 38  ALA n 
1 39  SER n 
1 40  ASN n 
1 41  GLY n 
1 42  GLU n 
1 43  MET n 
1 44  GLU n 
1 45  LEU n 
1 46  ASN n 
1 47  GLU n 
1 48  ALA n 
1 49  THR n 
1 50  LEU n 
1 51  TYR n 
1 52  THR n 
1 53  ILE n 
1 54  PHE n 
1 55  LYS n 
1 56  ARG n 
1 57  LEU n 
1 58  GLU n 
1 59  LYS n 
1 60  ASP n 
1 61  GLY n 
1 62  ILE n 
1 63  ILE n 
1 64  SER n 
1 65  SER n 
1 66  TYR n 
1 67  TRP n 
1 68  GLY n 
1 69  ASP n 
1 70  GLU n 
1 71  SER n 
1 72  GLN n 
1 73  GLY n 
1 74  GLY n 
1 75  ARG n 
1 76  ARG n 
1 77  LYS n 
1 78  TYR n 
1 79  TYR n 
1 80  ARG n 
1 81  LEU n 
1 82  THR n 
1 83  GLU n 
1 84  ILE n 
1 85  GLY n 
1 86  HIS n 
1 87  GLU n 
1 88  ASN n 
1 89  MET n 
1 90  ARG n 
1 91  LEU n 
1 92  ALA n 
1 93  PHE n 
1 94  GLU n 
1 95  SER n 
1 96  TRP n 
1 97  SER n 
1 98  ARG n 
1 99  VAL n 
1 100 ASP n 
1 101 LYS n 
1 102 ILE n 
1 103 ILE n 
1 104 GLU n 
1 105 ASN n 
1 106 LEU n 
1 107 GLU n 
1 108 ALA n 
1 109 ASN n 
1 110 LYS n 
1 111 LYS n 
1 112 SER n 
1 113 GLU n 
1 114 ALA n 
1 115 ILE n 
1 116 LYS n 
1 117 SER n 
1 118 ARG n 
1 119 GLY n 
1 120 GLY n 
1 121 SER n 
1 122 GLY n 
1 123 GLY n 
1 124 TRP n 
1 125 SER n 
1 126 HIS n 
1 127 PRO n 
1 128 GLN n 
1 129 PHE n 
1 130 GLU n 
1 131 LYS 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                   131 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 llmg_0323 
_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      'Lactococcus cremoris subsp. cremoris MG1363' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     416870 
_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' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_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 
BP5 'L-peptide linking' n "3-(2,2'-BIPYRIDIN-5-YL)-L-ALANINE" ? 'C13 H13 N3 O2'  243.261 
GLN 'L-peptide linking' y GLUTAMINE                           ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                     ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                             ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                           ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                               ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                          ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                             ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                              ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                          ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                       ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                             ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                              ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE                           ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                          ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                            ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                              ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   1   ?   ?   ?   A . n 
A 1 2   ALA 2   2   2   ALA ALA A . n 
A 1 3   GLU 3   3   3   GLU GLU A . n 
A 1 4   ILE 4   4   4   ILE ILE A . n 
A 1 5   PRO 5   5   5   PRO PRO A . n 
A 1 6   LYS 6   6   6   LYS LYS A . n 
A 1 7   GLU 7   7   7   GLU GLU A . n 
A 1 8   MET 8   8   8   MET MET A . n 
A 1 9   LEU 9   9   9   LEU LEU A . n 
A 1 10  ARG 10  10  10  ARG ARG A . n 
A 1 11  ALA 11  11  11  ALA ALA A . n 
A 1 12  GLN 12  12  12  GLN GLN A . n 
A 1 13  THR 13  13  13  THR THR A . n 
A 1 14  ASN 14  14  14  ASN ASN A . n 
A 1 15  BP5 15  15  15  BP5 DRG A . n 
A 1 16  ILE 16  16  16  ILE ILE A . n 
A 1 17  LEU 17  17  17  LEU LEU A . n 
A 1 18  LEU 18  18  18  LEU LEU A . n 
A 1 19  ASN 19  19  19  ASN ASN A . n 
A 1 20  VAL 20  20  20  VAL VAL A . n 
A 1 21  LEU 21  21  21  LEU LEU A . n 
A 1 22  LYS 22  22  22  LYS LYS A . n 
A 1 23  GLN 23  23  23  GLN GLN A . n 
A 1 24  GLY 24  24  24  GLY GLY A . n 
A 1 25  ASP 25  25  25  ASP ASP A . n 
A 1 26  ASN 26  26  26  ASN ASN A . n 
A 1 27  TYR 27  27  27  TYR TYR A . n 
A 1 28  VAL 28  28  28  VAL VAL A . n 
A 1 29  TYR 29  29  29  TYR TYR A . n 
A 1 30  GLY 30  30  30  GLY GLY A . n 
A 1 31  ILE 31  31  31  ILE ILE A . n 
A 1 32  ILE 32  32  32  ILE ILE A . n 
A 1 33  LYS 33  33  33  LYS LYS A . n 
A 1 34  GLN 34  34  34  GLN GLN A . n 
A 1 35  VAL 35  35  35  VAL VAL A . n 
A 1 36  LYS 36  36  36  LYS LYS A . n 
A 1 37  GLU 37  37  37  GLU GLU A . n 
A 1 38  ALA 38  38  38  ALA ALA A . n 
A 1 39  SER 39  39  39  SER SER A . n 
A 1 40  ASN 40  40  40  ASN ASN A . n 
A 1 41  GLY 41  41  41  GLY GLY A . n 
A 1 42  GLU 42  42  42  GLU GLU A . n 
A 1 43  MET 43  43  43  MET MET A . n 
A 1 44  GLU 44  44  44  GLU GLU A . n 
A 1 45  LEU 45  45  45  LEU LEU A . n 
A 1 46  ASN 46  46  46  ASN ASN A . n 
A 1 47  GLU 47  47  47  GLU GLU A . n 
A 1 48  ALA 48  48  48  ALA ALA A . n 
A 1 49  THR 49  49  49  THR THR A . n 
A 1 50  LEU 50  50  50  LEU LEU A . n 
A 1 51  TYR 51  51  51  TYR TYR A . n 
A 1 52  THR 52  52  52  THR THR A . n 
A 1 53  ILE 53  53  53  ILE ILE A . n 
A 1 54  PHE 54  54  54  PHE PHE A . n 
A 1 55  LYS 55  55  55  LYS LYS A . n 
A 1 56  ARG 56  56  56  ARG ARG A . n 
A 1 57  LEU 57  57  57  LEU LEU A . n 
A 1 58  GLU 58  58  58  GLU GLU A . n 
A 1 59  LYS 59  59  59  LYS LYS A . n 
A 1 60  ASP 60  60  60  ASP ASP A . n 
A 1 61  GLY 61  61  61  GLY GLY A . n 
A 1 62  ILE 62  62  62  ILE ILE A . n 
A 1 63  ILE 63  63  63  ILE ILE A . n 
A 1 64  SER 64  64  64  SER SER A . n 
A 1 65  SER 65  65  65  SER SER A . n 
A 1 66  TYR 66  66  66  TYR TYR A . n 
A 1 67  TRP 67  67  67  TRP TRP A . n 
A 1 68  GLY 68  68  68  GLY GLY A . n 
A 1 69  ASP 69  69  69  ASP ASP A . n 
A 1 70  GLU 70  70  70  GLU GLU A . n 
A 1 71  SER 71  71  71  SER SER A . n 
A 1 72  GLN 72  72  72  GLN GLN A . n 
A 1 73  GLY 73  73  73  GLY GLY A . n 
A 1 74  GLY 74  74  74  GLY GLY A . n 
A 1 75  ARG 75  75  75  ARG ARG A . n 
A 1 76  ARG 76  76  76  ARG ARG A . n 
A 1 77  LYS 77  77  77  LYS LYS A . n 
A 1 78  TYR 78  78  78  TYR TYR A . n 
A 1 79  TYR 79  79  79  TYR TYR A . n 
A 1 80  ARG 80  80  80  ARG ARG A . n 
A 1 81  LEU 81  81  81  LEU LEU A . n 
A 1 82  THR 82  82  82  THR THR A . n 
A 1 83  GLU 83  83  83  GLU GLU A . n 
A 1 84  ILE 84  84  84  ILE ILE A . n 
A 1 85  GLY 85  85  85  GLY GLY A . n 
A 1 86  HIS 86  86  86  HIS HIS A . n 
A 1 87  GLU 87  87  87  GLU GLU A . n 
A 1 88  ASN 88  88  88  ASN ASN A . n 
A 1 89  MET 89  89  89  MET MET A . n 
A 1 90  ARG 90  90  90  ARG ARG A . n 
A 1 91  LEU 91  91  91  LEU LEU A . n 
A 1 92  ALA 92  92  92  ALA ALA A . n 
A 1 93  PHE 93  93  93  PHE PHE A . n 
A 1 94  GLU 94  94  94  GLU GLU A . n 
A 1 95  SER 95  95  95  SER SER A . n 
A 1 96  TRP 96  96  96  TRP TRP A . n 
A 1 97  SER 97  97  97  SER SER A . n 
A 1 98  ARG 98  98  98  ARG ARG A . n 
A 1 99  VAL 99  99  99  VAL VAL A . n 
A 1 100 ASP 100 100 100 ASP ASP A . n 
A 1 101 LYS 101 101 101 LYS LYS A . n 
A 1 102 ILE 102 102 102 ILE ILE A . n 
A 1 103 ILE 103 103 103 ILE ILE A . n 
A 1 104 GLU 104 104 104 GLU GLU A . n 
A 1 105 ASN 105 105 105 ASN ASN A . n 
A 1 106 LEU 106 106 106 LEU LEU A . n 
A 1 107 GLU 107 107 107 GLU GLU A . n 
A 1 108 ALA 108 108 108 ALA ALA A . n 
A 1 109 ASN 109 109 109 ASN ASN A . n 
A 1 110 LYS 110 110 110 LYS LYS A . n 
A 1 111 LYS 111 111 111 LYS LYS A . n 
A 1 112 SER 112 112 ?   ?   ?   A . n 
A 1 113 GLU 113 113 ?   ?   ?   A . n 
A 1 114 ALA 114 114 ?   ?   ?   A . n 
A 1 115 ILE 115 115 ?   ?   ?   A . n 
A 1 116 LYS 116 116 ?   ?   ?   A . n 
A 1 117 SER 117 117 ?   ?   ?   A . n 
A 1 118 ARG 118 118 ?   ?   ?   A . n 
A 1 119 GLY 119 119 ?   ?   ?   A . n 
A 1 120 GLY 120 120 ?   ?   ?   A . n 
A 1 121 SER 121 121 ?   ?   ?   A . n 
A 1 122 GLY 122 122 ?   ?   ?   A . n 
A 1 123 GLY 123 123 ?   ?   ?   A . n 
A 1 124 TRP 124 124 ?   ?   ?   A . n 
A 1 125 SER 125 125 ?   ?   ?   A . n 
A 1 126 HIS 126 126 ?   ?   ?   A . n 
A 1 127 PRO 127 127 ?   ?   ?   A . n 
A 1 128 GLN 128 128 ?   ?   ?   A . n 
A 1 129 PHE 129 129 ?   ?   ?   A . n 
A 1 130 GLU 130 130 ?   ?   ?   A . n 
A 1 131 LYS 131 131 ?   ?   ?   A . n 
B 1 1   GLY 1   1   ?   ?   ?   B . n 
B 1 2   ALA 2   2   2   ALA ALA B . n 
B 1 3   GLU 3   3   3   GLU GLU B . n 
B 1 4   ILE 4   4   4   ILE ILE B . n 
B 1 5   PRO 5   5   5   PRO PRO B . n 
B 1 6   LYS 6   6   6   LYS LYS B . n 
B 1 7   GLU 7   7   7   GLU GLU B . n 
B 1 8   MET 8   8   8   MET MET B . n 
B 1 9   LEU 9   9   9   LEU LEU B . n 
B 1 10  ARG 10  10  10  ARG ARG B . n 
B 1 11  ALA 11  11  11  ALA ALA B . n 
B 1 12  GLN 12  12  12  GLN GLN B . n 
B 1 13  THR 13  13  13  THR THR B . n 
B 1 14  ASN 14  14  14  ASN ASN B . n 
B 1 15  BP5 15  15  15  BP5 DRG B . n 
B 1 16  ILE 16  16  16  ILE ILE B . n 
B 1 17  LEU 17  17  17  LEU LEU B . n 
B 1 18  LEU 18  18  18  LEU LEU B . n 
B 1 19  ASN 19  19  19  ASN ASN B . n 
B 1 20  VAL 20  20  20  VAL VAL B . n 
B 1 21  LEU 21  21  21  LEU LEU B . n 
B 1 22  LYS 22  22  22  LYS LYS B . n 
B 1 23  GLN 23  23  23  GLN GLN B . n 
B 1 24  GLY 24  24  24  GLY GLY B . n 
B 1 25  ASP 25  25  25  ASP ASP B . n 
B 1 26  ASN 26  26  26  ASN ASN B . n 
B 1 27  TYR 27  27  27  TYR TYR B . n 
B 1 28  VAL 28  28  28  VAL VAL B . n 
B 1 29  TYR 29  29  29  TYR TYR B . n 
B 1 30  GLY 30  30  30  GLY GLY B . n 
B 1 31  ILE 31  31  31  ILE ILE B . n 
B 1 32  ILE 32  32  32  ILE ILE B . n 
B 1 33  LYS 33  33  33  LYS LYS B . n 
B 1 34  GLN 34  34  34  GLN GLN B . n 
B 1 35  VAL 35  35  35  VAL VAL B . n 
B 1 36  LYS 36  36  36  LYS LYS B . n 
B 1 37  GLU 37  37  37  GLU GLU B . n 
B 1 38  ALA 38  38  38  ALA ALA B . n 
B 1 39  SER 39  39  39  SER SER B . n 
B 1 40  ASN 40  40  40  ASN ASN B . n 
B 1 41  GLY 41  41  41  GLY GLY B . n 
B 1 42  GLU 42  42  42  GLU GLU B . n 
B 1 43  MET 43  43  43  MET MET B . n 
B 1 44  GLU 44  44  44  GLU GLU B . n 
B 1 45  LEU 45  45  45  LEU LEU B . n 
B 1 46  ASN 46  46  46  ASN ASN B . n 
B 1 47  GLU 47  47  47  GLU GLU B . n 
B 1 48  ALA 48  48  48  ALA ALA B . n 
B 1 49  THR 49  49  49  THR THR B . n 
B 1 50  LEU 50  50  50  LEU LEU B . n 
B 1 51  TYR 51  51  51  TYR TYR B . n 
B 1 52  THR 52  52  52  THR THR B . n 
B 1 53  ILE 53  53  53  ILE ILE B . n 
B 1 54  PHE 54  54  54  PHE PHE B . n 
B 1 55  LYS 55  55  55  LYS LYS B . n 
B 1 56  ARG 56  56  56  ARG ARG B . n 
B 1 57  LEU 57  57  57  LEU LEU B . n 
B 1 58  GLU 58  58  58  GLU GLU B . n 
B 1 59  LYS 59  59  59  LYS LYS B . n 
B 1 60  ASP 60  60  60  ASP ASP B . n 
B 1 61  GLY 61  61  61  GLY GLY B . n 
B 1 62  ILE 62  62  62  ILE ILE B . n 
B 1 63  ILE 63  63  63  ILE ILE B . n 
B 1 64  SER 64  64  64  SER SER B . n 
B 1 65  SER 65  65  65  SER SER B . n 
B 1 66  TYR 66  66  66  TYR TYR B . n 
B 1 67  TRP 67  67  67  TRP TRP B . n 
B 1 68  GLY 68  68  68  GLY GLY B . n 
B 1 69  ASP 69  69  69  ASP ASP B . n 
B 1 70  GLU 70  70  ?   ?   ?   B . n 
B 1 71  SER 71  71  ?   ?   ?   B . n 
B 1 72  GLN 72  72  ?   ?   ?   B . n 
B 1 73  GLY 73  73  ?   ?   ?   B . n 
B 1 74  GLY 74  74  ?   ?   ?   B . n 
B 1 75  ARG 75  75  ?   ?   ?   B . n 
B 1 76  ARG 76  76  76  ARG ARG B . n 
B 1 77  LYS 77  77  77  LYS LYS B . n 
B 1 78  TYR 78  78  78  TYR TYR B . n 
B 1 79  TYR 79  79  79  TYR TYR B . n 
B 1 80  ARG 80  80  80  ARG ARG B . n 
B 1 81  LEU 81  81  81  LEU LEU B . n 
B 1 82  THR 82  82  82  THR THR B . n 
B 1 83  GLU 83  83  83  GLU GLU B . n 
B 1 84  ILE 84  84  84  ILE ILE B . n 
B 1 85  GLY 85  85  85  GLY GLY B . n 
B 1 86  HIS 86  86  86  HIS HIS B . n 
B 1 87  GLU 87  87  87  GLU GLU B . n 
B 1 88  ASN 88  88  88  ASN ASN B . n 
B 1 89  MET 89  89  89  MET MET B . n 
B 1 90  ARG 90  90  90  ARG ARG B . n 
B 1 91  LEU 91  91  91  LEU LEU B . n 
B 1 92  ALA 92  92  92  ALA ALA B . n 
B 1 93  PHE 93  93  93  PHE PHE B . n 
B 1 94  GLU 94  94  94  GLU GLU B . n 
B 1 95  SER 95  95  95  SER SER B . n 
B 1 96  TRP 96  96  96  TRP TRP B . n 
B 1 97  SER 97  97  97  SER SER B . n 
B 1 98  ARG 98  98  98  ARG ARG B . n 
B 1 99  VAL 99  99  99  VAL VAL B . n 
B 1 100 ASP 100 100 100 ASP ASP B . n 
B 1 101 LYS 101 101 101 LYS LYS B . n 
B 1 102 ILE 102 102 102 ILE ILE B . n 
B 1 103 ILE 103 103 103 ILE ILE B . n 
B 1 104 GLU 104 104 104 GLU GLU B . n 
B 1 105 ASN 105 105 105 ASN ASN B . n 
B 1 106 LEU 106 106 106 LEU LEU B . n 
B 1 107 GLU 107 107 107 GLU GLU B . n 
B 1 108 ALA 108 108 108 ALA ALA B . n 
B 1 109 ASN 109 109 109 ASN ASN B . n 
B 1 110 LYS 110 110 ?   ?   ?   B . n 
B 1 111 LYS 111 111 ?   ?   ?   B . n 
B 1 112 SER 112 112 ?   ?   ?   B . n 
B 1 113 GLU 113 113 ?   ?   ?   B . n 
B 1 114 ALA 114 114 ?   ?   ?   B . n 
B 1 115 ILE 115 115 ?   ?   ?   B . n 
B 1 116 LYS 116 116 ?   ?   ?   B . n 
B 1 117 SER 117 117 ?   ?   ?   B . n 
B 1 118 ARG 118 118 ?   ?   ?   B . n 
B 1 119 GLY 119 119 ?   ?   ?   B . n 
B 1 120 GLY 120 120 ?   ?   ?   B . n 
B 1 121 SER 121 121 ?   ?   ?   B . n 
B 1 122 GLY 122 122 ?   ?   ?   B . n 
B 1 123 GLY 123 123 ?   ?   ?   B . n 
B 1 124 TRP 124 124 ?   ?   ?   B . n 
B 1 125 SER 125 125 ?   ?   ?   B . n 
B 1 126 HIS 126 126 ?   ?   ?   B . n 
B 1 127 PRO 127 127 ?   ?   ?   B . n 
B 1 128 GLN 128 128 ?   ?   ?   B . n 
B 1 129 PHE 129 129 ?   ?   ?   B . n 
B 1 130 GLU 130 130 ?   ?   ?   B . n 
B 1 131 LYS 131 131 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        BP5 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   BP5 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
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 HOH 1 201 7 HOH HOH A . 
D 2 HOH 1 201 5 HOH HOH B . 
D 2 HOH 2 202 8 HOH HOH B . 
D 2 HOH 3 203 1 HOH HOH B . 
D 2 HOH 4 204 6 HOH HOH B . 
D 2 HOH 5 205 2 HOH HOH B . 
D 2 HOH 6 206 4 HOH HOH B . 
D 2 HOH 7 207 9 HOH HOH B . 
D 2 HOH 8 208 3 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 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .           1 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .           2 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .           3 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC  ? ? ? 5.8.0425    4 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? 1.21.1_5286 5 
# 
_cell.angle_alpha                  90.00 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.00 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.00 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9H9X 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     47.802 
_cell.length_a_esd                 ? 
_cell.length_b                     48.282 
_cell.length_b_esd                 ? 
_cell.length_c                     91.632 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9H9X 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_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                   9H9X 
_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             ? 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          ? 
_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              6 
_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    'MES, sodium sulfate, PEG 3350' 
_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 PILATUS 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-04-27 
_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   0.96546 
_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                        'ESRF BEAMLINE MASSIF-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.96546 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   MASSIF-1 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       9H9X 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              2.12 
_reflns.d_resolution_low                               47.80 
_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                                     12526 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.5 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                11.1 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          13.5 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               1.01 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.102 
_reflns.pdbx_Rpim_I_all                                0.030 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       138861 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.097 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    2.12 
_reflns_shell.d_res_low                                     2.18 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           ? 
_reflns_shell.number_measured_all                           9524 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             976 
_reflns_shell.percent_possible_obs                          96.0 
_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                               9.8 
_reflns_shell.pdbx_chi_squared                              0.99 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     1.1 
_reflns_shell.pdbx_Rrim_I_all                               2.353 
_reflns_shell.pdbx_Rpim_I_all                               0.739 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.459 
_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                                  2.228 
_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                               ? 
_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                                 9H9X 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            2.12 
_refine.ls_d_res_low                             42.72 
_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                     12479 
_refine.ls_number_reflns_R_free                  628 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.26 
_refine.ls_percent_reflns_R_free                 5.03 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2431 
_refine.ls_R_factor_R_free                       0.3097 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2397 
_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                          1.35 
_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       ML 
_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             1.10 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.90 
_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                 40.00 
_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                            0.38 
_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.pdbx_number_atoms_protein        1759 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.number_atoms_solvent             9 
_refine_hist.number_atoms_total               1768 
_refine_hist.d_res_high                       2.12 
_refine_hist.d_res_low                        42.72 
# 
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' ? 0.016  ? 1788 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.469  ? 2399 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 14.090 ? 687  ? f_dihedral_angle_d ? ? 
'X-RAY DIFFRACTION' ? 0.072  ? 254  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.013  ? 306  ? f_plane_restr      ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 2.12 2.33  . . 145 2864 98.00  . . . . 0.3222 . . . . . . . . . . . 0.3989 
'X-RAY DIFFRACTION' 2.33 2.67  . . 167 2915 99.00  . . . . 0.2872 . . . . . . . . . . . 0.3705 
'X-RAY DIFFRACTION' 2.67 3.36  . . 143 2979 100.00 . . . . 0.2736 . . . . . . . . . . . 0.2962 
'X-RAY DIFFRACTION' 3.37 42.72 . . 173 3093 100.00 . . . . 0.2110 . . . . . . . . . . . 0.2933 
# 
_struct.entry_id                     9H9X 
_struct.title                        'Crystal structure of metal-free LmrR_V15Bpy in a closed state' 
_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        9H9X 
_struct_keywords.text            
'artificial metalloenzyme, unnatural amino acid, bipyridine, copper-binding, LmrR, directed evolution, METAL BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'METAL BINDING 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 2 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    A2RI36_LACLM 
_struct_ref.pdbx_db_accession          A2RI36 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;AEIPKEMLRAQTNVILLNVLKQGDNYVYGIIKQVKEASNGEMELNEATLYTIFKRLEKDGIISSYWGDESQGGRRKYYRL
TEIGHENMRLAFESWSRVDKIIENLEANKKSEAIK
;
_struct_ref.pdbx_align_begin           2 
# 
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 9H9X A 2 ? 116 ? A2RI36 2 ? 116 ? 2 116 
2 1 9H9X B 2 ? 116 ? A2RI36 2 ? 116 ? 2 116 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9H9X GLY A 1   ? UNP A2RI36 ?   ?  'expression tag'      1   1  
1 9H9X BP5 A 15  ? UNP A2RI36 VAL 15 'engineered mutation' 15  2  
1 9H9X SER A 117 ? UNP A2RI36 ?   ?  'expression tag'      117 3  
1 9H9X ARG A 118 ? UNP A2RI36 ?   ?  'expression tag'      118 4  
1 9H9X GLY A 119 ? UNP A2RI36 ?   ?  'expression tag'      119 5  
1 9H9X GLY A 120 ? UNP A2RI36 ?   ?  'expression tag'      120 6  
1 9H9X SER A 121 ? UNP A2RI36 ?   ?  'expression tag'      121 7  
1 9H9X GLY A 122 ? UNP A2RI36 ?   ?  'expression tag'      122 8  
1 9H9X GLY A 123 ? UNP A2RI36 ?   ?  'expression tag'      123 9  
1 9H9X TRP A 124 ? UNP A2RI36 ?   ?  'expression tag'      124 10 
1 9H9X SER A 125 ? UNP A2RI36 ?   ?  'expression tag'      125 11 
1 9H9X HIS A 126 ? UNP A2RI36 ?   ?  'expression tag'      126 12 
1 9H9X PRO A 127 ? UNP A2RI36 ?   ?  'expression tag'      127 13 
1 9H9X GLN A 128 ? UNP A2RI36 ?   ?  'expression tag'      128 14 
1 9H9X PHE A 129 ? UNP A2RI36 ?   ?  'expression tag'      129 15 
1 9H9X GLU A 130 ? UNP A2RI36 ?   ?  'expression tag'      130 16 
1 9H9X LYS A 131 ? UNP A2RI36 ?   ?  'expression tag'      131 17 
2 9H9X GLY B 1   ? UNP A2RI36 ?   ?  'expression tag'      1   18 
2 9H9X BP5 B 15  ? UNP A2RI36 VAL 15 'engineered mutation' 15  19 
2 9H9X SER B 117 ? UNP A2RI36 ?   ?  'expression tag'      117 20 
2 9H9X ARG B 118 ? UNP A2RI36 ?   ?  'expression tag'      118 21 
2 9H9X GLY B 119 ? UNP A2RI36 ?   ?  'expression tag'      119 22 
2 9H9X GLY B 120 ? UNP A2RI36 ?   ?  'expression tag'      120 23 
2 9H9X SER B 121 ? UNP A2RI36 ?   ?  'expression tag'      121 24 
2 9H9X GLY B 122 ? UNP A2RI36 ?   ?  'expression tag'      122 25 
2 9H9X GLY B 123 ? UNP A2RI36 ?   ?  'expression tag'      123 26 
2 9H9X TRP B 124 ? UNP A2RI36 ?   ?  'expression tag'      124 27 
2 9H9X SER B 125 ? UNP A2RI36 ?   ?  'expression tag'      125 28 
2 9H9X HIS B 126 ? UNP A2RI36 ?   ?  'expression tag'      126 29 
2 9H9X PRO B 127 ? UNP A2RI36 ?   ?  'expression tag'      127 30 
2 9H9X GLN B 128 ? UNP A2RI36 ?   ?  'expression tag'      128 31 
2 9H9X PHE B 129 ? UNP A2RI36 ?   ?  'expression tag'      129 32 
2 9H9X GLU B 130 ? UNP A2RI36 ?   ?  'expression tag'      130 33 
2 9H9X LYS B 131 ? UNP A2RI36 ?   ?  'expression tag'      131 34 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 5270  ? 
1 MORE         -19   ? 
1 'SSA (A^2)'  11270 ? 
# 
_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 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 ALA A 2  ? GLY A 24  ? ALA A 2  GLY A 24  1 ? 23 
HELX_P HELX_P2 AA2 VAL A 28 ? SER A 39  ? VAL A 28 SER A 39  1 ? 12 
HELX_P HELX_P3 AA3 ASN A 46 ? ASP A 60  ? ASN A 46 ASP A 60  1 ? 15 
HELX_P HELX_P4 AA4 THR A 82 ? LYS A 111 ? THR A 82 LYS A 111 1 ? 30 
HELX_P HELX_P5 AA5 GLU B 3  ? GLY B 24  ? GLU B 3  GLY B 24  1 ? 22 
HELX_P HELX_P6 AA6 TYR B 27 ? SER B 39  ? TYR B 27 SER B 39  1 ? 13 
HELX_P HELX_P7 AA7 ASN B 46 ? ASP B 60  ? ASN B 46 ASP B 60  1 ? 15 
HELX_P HELX_P8 AA8 THR B 82 ? ASN B 109 ? THR B 82 ASN B 109 1 ? 28 
# 
_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 
covale1 covale both ? A ASN 14 C ? ? ? 1_555 A BP5 15 N ? ? A ASN 14 A BP5 15 1_555 ? ? ? ? ? ? ? 1.332 ? ? 
covale2 covale both ? A BP5 15 C ? ? ? 1_555 A ILE 16 N ? ? A BP5 15 A ILE 16 1_555 ? ? ? ? ? ? ? 1.312 ? ? 
covale3 covale both ? B ASN 14 C ? ? ? 1_555 B BP5 15 N ? ? B ASN 14 B BP5 15 1_555 ? ? ? ? ? ? ? 1.316 ? ? 
covale4 covale both ? B BP5 15 C ? ? ? 1_555 B ILE 16 N ? ? B BP5 15 B ILE 16 1_555 ? ? ? ? ? ? ? 1.331 ? ? 
# 
_struct_conn_type.id          covale 
_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 BP5 A 15 ? . . . . BP5 A 15 ? 1_555 . . . . . . . ? 1 BP5 None 'Non-standard residue' 
2 BP5 B 15 ? . . . . BP5 B 15 ? 1_555 . . . . . . . ? 1 BP5 None 'Non-standard residue' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 3 ? 
AA2 ? 2 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA2 1 2 ? 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 ASN A 26 ? TYR A 27 ? ASN A 26 TYR A 27 
AA1 2 GLY A 74 ? LEU A 81 ? GLY A 74 LEU A 81 
AA1 3 ILE A 63 ? SER A 71 ? ILE A 63 SER A 71 
AA2 1 ILE B 63 ? TRP B 67 ? ILE B 63 TRP B 67 
AA2 2 LYS B 77 ? LEU B 81 ? LYS B 77 LEU B 81 
# 
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 ASN A 26 ? N ASN A 26 O TYR A 79 ? O TYR A 79 
AA1 2 3 O TYR A 78 ? O TYR A 78 N TYR A 66 ? N TYR A 66 
AA2 1 2 N TYR B 66 ? N TYR B 66 O TYR B 78 ? O TYR B 78 
# 
_pdbx_entry_details.entry_id                   9H9X 
_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     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[1][1]_esd 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][2]_esd 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[1][3]_esd 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[2][2]_esd 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.T[2][3]_esd 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[3][3]_esd 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[1][1]_esd 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][2]_esd 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[1][3]_esd 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[2][2]_esd 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.L[2][3]_esd 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[3][3]_esd 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][1]_esd 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][2]_esd 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[1][3]_esd 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][1]_esd 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][2]_esd 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[2][3]_esd 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][1]_esd 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][2]_esd 
_pdbx_refine_tls.S[3][3] 
_pdbx_refine_tls.S[3][3]_esd 
1 'X-RAY DIFFRACTION' ? refined -20.0191 -9.3274  -16.1238 0.2913 ? -0.0197 ? -0.0394 ? 0.3701 ? -0.0980 ? 0.3781 ? 0.8756 ? 
1.1342 ? 1.0984  ? 6.0939 ? 0.2212  ? 6.1261 ? 0.0327  ? 0.0338  ? 0.1553  ? -0.2418 ? -0.0142 ? 0.1293  ? 0.4243  ? -0.4174 ? 
-0.1164 ? 
2 'X-RAY DIFFRACTION' ? refined -22.3695 -22.1534 -9.9693  0.5444 ? 0.0644  ? -0.0169 ? 0.4545 ? 0.0160  ? 0.5831 ? 7.4261 ? 
4.7573 ? 1.3008  ? 7.4890 ? 1.0133  ? 4.2423 ? 0.2993  ? -0.6434 ? -0.9057 ? 0.7545  ? -0.1315 ? -0.8865 ? 0.7042  ? -0.1854 ? 
-0.1703 ? 
3 'X-RAY DIFFRACTION' ? refined -18.1149 3.9789   -5.7612  0.5584 ? -0.0473 ? 0.0344  ? 0.6347 ? -0.1050 ? 0.6029 ? 3.5947 ? 
1.0653 ? -0.6505 ? 3.2889 ? -1.2707 ? 5.3841 ? -0.3951 ? 0.4198  ? 0.3812  ? 0.6959  ? 0.3925  ? -0.4975 ? 0.0365  ? -0.7095 ? 
0.1811  ? 
4 'X-RAY DIFFRACTION' ? refined -8.7165  1.8706   -8.3678  0.4055 ? -0.0022 ? -0.1085 ? 0.4569 ? -0.1993 ? 0.3705 ? 5.8104 ? 
2.8496 ? 0.6486  ? 7.2861 ? -0.7435 ? 3.2619 ? 0.6157  ? 0.1187  ? -0.2782 ? 0.0325  ? -0.6518 ? 0.1211  ? 0.1810  ? 0.6130  ? 
-0.1471 ? 
5 'X-RAY DIFFRACTION' ? refined 0.3112   11.3333  -6.7293  0.3944 ? 0.0247  ? -0.0116 ? 0.3606 ? -0.0972 ? 0.5005 ? 7.8093 ? 
3.6650 ? 2.0245  ? 2.6614 ? -0.4258 ? 2.5211 ? -0.2031 ? 0.0436  ? -0.7102 ? -0.0357 ? 0.1176  ? -0.3621 ? 0.2820  ? 0.1127  ? 
0.1258  ? 
6 'X-RAY DIFFRACTION' ? refined -15.1726 1.5163   -19.0066 0.5428 ? 0.0027  ? -0.0078 ? 0.6057 ? -0.1189 ? 0.3942 ? 2.7544 ? 
3.1955 ? 2.0882  ? 5.9639 ? 1.3825  ? 2.1843 ? 0.1659  ? 0.7584  ? 0.6427  ? -0.3931 ? 0.2894  ? -0.2595 ? -0.5699 ? 0.6493  ? 
-0.0888 ? 
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_PDB_ins_code 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_PDB_ins_code 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 'X-RAY DIFFRACTION' 1 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 2 through 46 )
;
2 'X-RAY DIFFRACTION' 2 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 47 through 81 )
;
3 'X-RAY DIFFRACTION' 3 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'A' and (resid 82 through 111 )
;
4 'X-RAY DIFFRACTION' 4 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 2 through 23 )
;
5 'X-RAY DIFFRACTION' 5 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 24 through 82 )
;
6 'X-RAY DIFFRACTION' 6 ? ? ? ? ? ? ? ? ? ? ? 
;chain 'B' and (resid 83 through 109 )
;
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A GLY 1   ? A GLY 1   
2  1 Y 1 A SER 112 ? A SER 112 
3  1 Y 1 A GLU 113 ? A GLU 113 
4  1 Y 1 A ALA 114 ? A ALA 114 
5  1 Y 1 A ILE 115 ? A ILE 115 
6  1 Y 1 A LYS 116 ? A LYS 116 
7  1 Y 1 A SER 117 ? A SER 117 
8  1 Y 1 A ARG 118 ? A ARG 118 
9  1 Y 1 A GLY 119 ? A GLY 119 
10 1 Y 1 A GLY 120 ? A GLY 120 
11 1 Y 1 A SER 121 ? A SER 121 
12 1 Y 1 A GLY 122 ? A GLY 122 
13 1 Y 1 A GLY 123 ? A GLY 123 
14 1 Y 1 A TRP 124 ? A TRP 124 
15 1 Y 1 A SER 125 ? A SER 125 
16 1 Y 1 A HIS 126 ? A HIS 126 
17 1 Y 1 A PRO 127 ? A PRO 127 
18 1 Y 1 A GLN 128 ? A GLN 128 
19 1 Y 1 A PHE 129 ? A PHE 129 
20 1 Y 1 A GLU 130 ? A GLU 130 
21 1 Y 1 A LYS 131 ? A LYS 131 
22 1 Y 1 B GLY 1   ? B GLY 1   
23 1 Y 1 B GLU 70  ? B GLU 70  
24 1 Y 1 B SER 71  ? B SER 71  
25 1 Y 1 B GLN 72  ? B GLN 72  
26 1 Y 1 B GLY 73  ? B GLY 73  
27 1 Y 1 B GLY 74  ? B GLY 74  
28 1 Y 1 B ARG 75  ? B ARG 75  
29 1 Y 1 B LYS 110 ? B LYS 110 
30 1 Y 1 B LYS 111 ? B LYS 111 
31 1 Y 1 B SER 112 ? B SER 112 
32 1 Y 1 B GLU 113 ? B GLU 113 
33 1 Y 1 B ALA 114 ? B ALA 114 
34 1 Y 1 B ILE 115 ? B ILE 115 
35 1 Y 1 B LYS 116 ? B LYS 116 
36 1 Y 1 B SER 117 ? B SER 117 
37 1 Y 1 B ARG 118 ? B ARG 118 
38 1 Y 1 B GLY 119 ? B GLY 119 
39 1 Y 1 B GLY 120 ? B GLY 120 
40 1 Y 1 B SER 121 ? B SER 121 
41 1 Y 1 B GLY 122 ? B GLY 122 
42 1 Y 1 B GLY 123 ? B GLY 123 
43 1 Y 1 B TRP 124 ? B TRP 124 
44 1 Y 1 B SER 125 ? B SER 125 
45 1 Y 1 B HIS 126 ? B HIS 126 
46 1 Y 1 B PRO 127 ? B PRO 127 
47 1 Y 1 B GLN 128 ? B GLN 128 
48 1 Y 1 B PHE 129 ? B PHE 129 
49 1 Y 1 B GLU 130 ? B GLU 130 
50 1 Y 1 B LYS 131 ? B LYS 131 
# 
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  
BP5 C9   C Y N 74  
BP5 C8   C Y N 75  
BP5 C7   C Y N 76  
BP5 C6   C Y N 77  
BP5 C5   C Y N 78  
BP5 C4   C Y N 79  
BP5 C3   C Y N 80  
BP5 C2   C Y N 81  
BP5 C1   C Y N 82  
BP5 C12  C N N 83  
BP5 C11  C Y N 84  
BP5 N1   N Y N 85  
BP5 N2   N Y N 86  
BP5 CA   C N S 87  
BP5 C    C N N 88  
BP5 OXT  O N N 89  
BP5 O    O N N 90  
BP5 N    N N N 91  
BP5 H8   H N N 92  
BP5 H7   H N N 93  
BP5 H5   H N N 94  
BP5 H4   H N N 95  
BP5 H3   H N N 96  
BP5 H1   H N N 97  
BP5 H121 H N N 98  
BP5 H122 H N N 99  
BP5 H11  H N N 100 
BP5 HA   H N N 101 
BP5 HXT  H N N 102 
BP5 H    H N N 103 
BP5 H2   H N N 104 
GLN N    N N N 105 
GLN CA   C N S 106 
GLN C    C N N 107 
GLN O    O N N 108 
GLN CB   C N N 109 
GLN CG   C N N 110 
GLN CD   C N N 111 
GLN OE1  O N N 112 
GLN NE2  N N N 113 
GLN OXT  O N N 114 
GLN H    H N N 115 
GLN H2   H N N 116 
GLN HA   H N N 117 
GLN HB2  H N N 118 
GLN HB3  H N N 119 
GLN HG2  H N N 120 
GLN HG3  H N N 121 
GLN HE21 H N N 122 
GLN HE22 H N N 123 
GLN HXT  H N N 124 
GLU N    N N N 125 
GLU CA   C N S 126 
GLU C    C N N 127 
GLU O    O N N 128 
GLU CB   C N N 129 
GLU CG   C N N 130 
GLU CD   C N N 131 
GLU OE1  O N N 132 
GLU OE2  O N N 133 
GLU OXT  O N N 134 
GLU H    H N N 135 
GLU H2   H N N 136 
GLU HA   H N N 137 
GLU HB2  H N N 138 
GLU HB3  H N N 139 
GLU HG2  H N N 140 
GLU HG3  H N N 141 
GLU HE2  H N N 142 
GLU HXT  H N N 143 
GLY N    N N N 144 
GLY CA   C N N 145 
GLY C    C N N 146 
GLY O    O N N 147 
GLY OXT  O N N 148 
GLY H    H N N 149 
GLY H2   H N N 150 
GLY HA2  H N N 151 
GLY HA3  H N N 152 
GLY HXT  H N N 153 
HIS N    N N N 154 
HIS CA   C N S 155 
HIS C    C N N 156 
HIS O    O N N 157 
HIS CB   C N N 158 
HIS CG   C Y N 159 
HIS ND1  N Y N 160 
HIS CD2  C Y N 161 
HIS CE1  C Y N 162 
HIS NE2  N Y N 163 
HIS OXT  O N N 164 
HIS H    H N N 165 
HIS H2   H N N 166 
HIS HA   H N N 167 
HIS HB2  H N N 168 
HIS HB3  H N N 169 
HIS HD1  H N N 170 
HIS HD2  H N N 171 
HIS HE1  H N N 172 
HIS HE2  H N N 173 
HIS HXT  H N N 174 
HOH O    O N N 175 
HOH H1   H N N 176 
HOH H2   H N N 177 
ILE N    N N N 178 
ILE CA   C N S 179 
ILE C    C N N 180 
ILE O    O N N 181 
ILE CB   C N S 182 
ILE CG1  C N N 183 
ILE CG2  C N N 184 
ILE CD1  C N N 185 
ILE OXT  O N N 186 
ILE H    H N N 187 
ILE H2   H N N 188 
ILE HA   H N N 189 
ILE HB   H N N 190 
ILE HG12 H N N 191 
ILE HG13 H N N 192 
ILE HG21 H N N 193 
ILE HG22 H N N 194 
ILE HG23 H N N 195 
ILE HD11 H N N 196 
ILE HD12 H N N 197 
ILE HD13 H N N 198 
ILE HXT  H N N 199 
LEU N    N N N 200 
LEU CA   C N S 201 
LEU C    C N N 202 
LEU O    O N N 203 
LEU CB   C N N 204 
LEU CG   C N N 205 
LEU CD1  C N N 206 
LEU CD2  C N N 207 
LEU OXT  O N N 208 
LEU H    H N N 209 
LEU H2   H N N 210 
LEU HA   H N N 211 
LEU HB2  H N N 212 
LEU HB3  H N N 213 
LEU HG   H N N 214 
LEU HD11 H N N 215 
LEU HD12 H N N 216 
LEU HD13 H N N 217 
LEU HD21 H N N 218 
LEU HD22 H N N 219 
LEU HD23 H N N 220 
LEU HXT  H N N 221 
LYS N    N N N 222 
LYS CA   C N S 223 
LYS C    C N N 224 
LYS O    O N N 225 
LYS CB   C N N 226 
LYS CG   C N N 227 
LYS CD   C N N 228 
LYS CE   C N N 229 
LYS NZ   N N N 230 
LYS OXT  O N N 231 
LYS H    H N N 232 
LYS H2   H N N 233 
LYS HA   H N N 234 
LYS HB2  H N N 235 
LYS HB3  H N N 236 
LYS HG2  H N N 237 
LYS HG3  H N N 238 
LYS HD2  H N N 239 
LYS HD3  H N N 240 
LYS HE2  H N N 241 
LYS HE3  H N N 242 
LYS HZ1  H N N 243 
LYS HZ2  H N N 244 
LYS HZ3  H N N 245 
LYS HXT  H N N 246 
MET N    N N N 247 
MET CA   C N S 248 
MET C    C N N 249 
MET O    O N N 250 
MET CB   C N N 251 
MET CG   C N N 252 
MET SD   S N N 253 
MET CE   C N N 254 
MET OXT  O N N 255 
MET H    H N N 256 
MET H2   H N N 257 
MET HA   H N N 258 
MET HB2  H N N 259 
MET HB3  H N N 260 
MET HG2  H N N 261 
MET HG3  H N N 262 
MET HE1  H N N 263 
MET HE2  H N N 264 
MET HE3  H N N 265 
MET HXT  H N N 266 
PHE N    N N N 267 
PHE CA   C N S 268 
PHE C    C N N 269 
PHE O    O N N 270 
PHE CB   C N N 271 
PHE CG   C Y N 272 
PHE CD1  C Y N 273 
PHE CD2  C Y N 274 
PHE CE1  C Y N 275 
PHE CE2  C Y N 276 
PHE CZ   C Y N 277 
PHE OXT  O N N 278 
PHE H    H N N 279 
PHE H2   H N N 280 
PHE HA   H N N 281 
PHE HB2  H N N 282 
PHE HB3  H N N 283 
PHE HD1  H N N 284 
PHE HD2  H N N 285 
PHE HE1  H N N 286 
PHE HE2  H N N 287 
PHE HZ   H N N 288 
PHE HXT  H N N 289 
PRO N    N N N 290 
PRO CA   C N S 291 
PRO C    C N N 292 
PRO O    O N N 293 
PRO CB   C N N 294 
PRO CG   C N N 295 
PRO CD   C N N 296 
PRO OXT  O N N 297 
PRO H    H N N 298 
PRO HA   H N N 299 
PRO HB2  H N N 300 
PRO HB3  H N N 301 
PRO HG2  H N N 302 
PRO HG3  H N N 303 
PRO HD2  H N N 304 
PRO HD3  H N N 305 
PRO HXT  H N N 306 
SER N    N N N 307 
SER CA   C N S 308 
SER C    C N N 309 
SER O    O N N 310 
SER CB   C N N 311 
SER OG   O N N 312 
SER OXT  O N N 313 
SER H    H N N 314 
SER H2   H N N 315 
SER HA   H N N 316 
SER HB2  H N N 317 
SER HB3  H N N 318 
SER HG   H N N 319 
SER HXT  H N N 320 
THR N    N N N 321 
THR CA   C N S 322 
THR C    C N N 323 
THR O    O N N 324 
THR CB   C N R 325 
THR OG1  O N N 326 
THR CG2  C N N 327 
THR OXT  O N N 328 
THR H    H N N 329 
THR H2   H N N 330 
THR HA   H N N 331 
THR HB   H N N 332 
THR HG1  H N N 333 
THR HG21 H N N 334 
THR HG22 H N N 335 
THR HG23 H N N 336 
THR HXT  H N N 337 
TRP N    N N N 338 
TRP CA   C N S 339 
TRP C    C N N 340 
TRP O    O N N 341 
TRP CB   C N N 342 
TRP CG   C Y N 343 
TRP CD1  C Y N 344 
TRP CD2  C Y N 345 
TRP NE1  N Y N 346 
TRP CE2  C Y N 347 
TRP CE3  C Y N 348 
TRP CZ2  C Y N 349 
TRP CZ3  C Y N 350 
TRP CH2  C Y N 351 
TRP OXT  O N N 352 
TRP H    H N N 353 
TRP H2   H N N 354 
TRP HA   H N N 355 
TRP HB2  H N N 356 
TRP HB3  H N N 357 
TRP HD1  H N N 358 
TRP HE1  H N N 359 
TRP HE3  H N N 360 
TRP HZ2  H N N 361 
TRP HZ3  H N N 362 
TRP HH2  H N N 363 
TRP HXT  H N N 364 
TYR N    N N N 365 
TYR CA   C N S 366 
TYR C    C N N 367 
TYR O    O N N 368 
TYR CB   C N N 369 
TYR CG   C Y N 370 
TYR CD1  C Y N 371 
TYR CD2  C Y N 372 
TYR CE1  C Y N 373 
TYR CE2  C Y N 374 
TYR CZ   C Y N 375 
TYR OH   O N N 376 
TYR OXT  O N N 377 
TYR H    H N N 378 
TYR H2   H N N 379 
TYR HA   H N N 380 
TYR HB2  H N N 381 
TYR HB3  H N N 382 
TYR HD1  H N N 383 
TYR HD2  H N N 384 
TYR HE1  H N N 385 
TYR HE2  H N N 386 
TYR HH   H N N 387 
TYR HXT  H N N 388 
VAL N    N N N 389 
VAL CA   C N S 390 
VAL C    C N N 391 
VAL O    O N N 392 
VAL CB   C N N 393 
VAL CG1  C N N 394 
VAL CG2  C N N 395 
VAL OXT  O N N 396 
VAL H    H N N 397 
VAL H2   H N N 398 
VAL HA   H N N 399 
VAL HB   H N N 400 
VAL HG11 H N N 401 
VAL HG12 H N N 402 
VAL HG13 H N N 403 
VAL HG21 H N N 404 
VAL HG22 H N N 405 
VAL HG23 H N N 406 
VAL HXT  H N N 407 
# 
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  
BP5 C9  C12  sing N N 70  
BP5 C9  C8   doub Y N 71  
BP5 C9  C11  sing Y N 72  
BP5 C8  C7   sing Y N 73  
BP5 C8  H8   sing N N 74  
BP5 C7  C6   doub Y N 75  
BP5 C7  H7   sing N N 76  
BP5 C6  N2   sing Y N 77  
BP5 C6  C3   sing N N 78  
BP5 C5  C1   doub Y N 79  
BP5 C5  C4   sing Y N 80  
BP5 C5  H5   sing N N 81  
BP5 C4  N1   doub Y N 82  
BP5 C4  H4   sing N N 83  
BP5 C3  C2   doub Y N 84  
BP5 C3  N1   sing Y N 85  
BP5 C2  C1   sing Y N 86  
BP5 C2  H3   sing N N 87  
BP5 C1  H1   sing N N 88  
BP5 C12 CA   sing N N 89  
BP5 C12 H121 sing N N 90  
BP5 C12 H122 sing N N 91  
BP5 C11 N2   doub Y N 92  
BP5 C11 H11  sing N N 93  
BP5 CA  C    sing N N 94  
BP5 CA  N    sing N N 95  
BP5 CA  HA   sing N N 96  
BP5 C   O    doub N N 97  
BP5 C   OXT  sing N N 98  
BP5 OXT HXT  sing N N 99  
BP5 N   H    sing N N 100 
BP5 N   H2   sing N N 101 
GLN N   CA   sing N N 102 
GLN N   H    sing N N 103 
GLN N   H2   sing N N 104 
GLN CA  C    sing N N 105 
GLN CA  CB   sing N N 106 
GLN CA  HA   sing N N 107 
GLN C   O    doub N N 108 
GLN C   OXT  sing N N 109 
GLN CB  CG   sing N N 110 
GLN CB  HB2  sing N N 111 
GLN CB  HB3  sing N N 112 
GLN CG  CD   sing N N 113 
GLN CG  HG2  sing N N 114 
GLN CG  HG3  sing N N 115 
GLN CD  OE1  doub N N 116 
GLN CD  NE2  sing N N 117 
GLN NE2 HE21 sing N N 118 
GLN NE2 HE22 sing N N 119 
GLN OXT HXT  sing N N 120 
GLU N   CA   sing N N 121 
GLU N   H    sing N N 122 
GLU N   H2   sing N N 123 
GLU CA  C    sing N N 124 
GLU CA  CB   sing N N 125 
GLU CA  HA   sing N N 126 
GLU C   O    doub N N 127 
GLU C   OXT  sing N N 128 
GLU CB  CG   sing N N 129 
GLU CB  HB2  sing N N 130 
GLU CB  HB3  sing N N 131 
GLU CG  CD   sing N N 132 
GLU CG  HG2  sing N N 133 
GLU CG  HG3  sing N N 134 
GLU CD  OE1  doub N N 135 
GLU CD  OE2  sing N N 136 
GLU OE2 HE2  sing N N 137 
GLU OXT HXT  sing N N 138 
GLY N   CA   sing N N 139 
GLY N   H    sing N N 140 
GLY N   H2   sing N N 141 
GLY CA  C    sing N N 142 
GLY CA  HA2  sing N N 143 
GLY CA  HA3  sing N N 144 
GLY C   O    doub N N 145 
GLY C   OXT  sing N N 146 
GLY OXT HXT  sing N N 147 
HIS N   CA   sing N N 148 
HIS N   H    sing N N 149 
HIS N   H2   sing N N 150 
HIS CA  C    sing N N 151 
HIS CA  CB   sing N N 152 
HIS CA  HA   sing N N 153 
HIS C   O    doub N N 154 
HIS C   OXT  sing N N 155 
HIS CB  CG   sing N N 156 
HIS CB  HB2  sing N N 157 
HIS CB  HB3  sing N N 158 
HIS CG  ND1  sing Y N 159 
HIS CG  CD2  doub Y N 160 
HIS ND1 CE1  doub Y N 161 
HIS ND1 HD1  sing N N 162 
HIS CD2 NE2  sing Y N 163 
HIS CD2 HD2  sing N N 164 
HIS CE1 NE2  sing Y N 165 
HIS CE1 HE1  sing N N 166 
HIS NE2 HE2  sing N N 167 
HIS OXT HXT  sing N N 168 
HOH O   H1   sing N N 169 
HOH O   H2   sing N N 170 
ILE N   CA   sing N N 171 
ILE N   H    sing N N 172 
ILE N   H2   sing N N 173 
ILE CA  C    sing N N 174 
ILE CA  CB   sing N N 175 
ILE CA  HA   sing N N 176 
ILE C   O    doub N N 177 
ILE C   OXT  sing N N 178 
ILE CB  CG1  sing N N 179 
ILE CB  CG2  sing N N 180 
ILE CB  HB   sing N N 181 
ILE CG1 CD1  sing N N 182 
ILE CG1 HG12 sing N N 183 
ILE CG1 HG13 sing N N 184 
ILE CG2 HG21 sing N N 185 
ILE CG2 HG22 sing N N 186 
ILE CG2 HG23 sing N N 187 
ILE CD1 HD11 sing N N 188 
ILE CD1 HD12 sing N N 189 
ILE CD1 HD13 sing N N 190 
ILE OXT HXT  sing N N 191 
LEU N   CA   sing N N 192 
LEU N   H    sing N N 193 
LEU N   H2   sing N N 194 
LEU CA  C    sing N N 195 
LEU CA  CB   sing N N 196 
LEU CA  HA   sing N N 197 
LEU C   O    doub N N 198 
LEU C   OXT  sing N N 199 
LEU CB  CG   sing N N 200 
LEU CB  HB2  sing N N 201 
LEU CB  HB3  sing N N 202 
LEU CG  CD1  sing N N 203 
LEU CG  CD2  sing N N 204 
LEU CG  HG   sing N N 205 
LEU CD1 HD11 sing N N 206 
LEU CD1 HD12 sing N N 207 
LEU CD1 HD13 sing N N 208 
LEU CD2 HD21 sing N N 209 
LEU CD2 HD22 sing N N 210 
LEU CD2 HD23 sing N N 211 
LEU OXT HXT  sing N N 212 
LYS N   CA   sing N N 213 
LYS N   H    sing N N 214 
LYS N   H2   sing N N 215 
LYS CA  C    sing N N 216 
LYS CA  CB   sing N N 217 
LYS CA  HA   sing N N 218 
LYS C   O    doub N N 219 
LYS C   OXT  sing N N 220 
LYS CB  CG   sing N N 221 
LYS CB  HB2  sing N N 222 
LYS CB  HB3  sing N N 223 
LYS CG  CD   sing N N 224 
LYS CG  HG2  sing N N 225 
LYS CG  HG3  sing N N 226 
LYS CD  CE   sing N N 227 
LYS CD  HD2  sing N N 228 
LYS CD  HD3  sing N N 229 
LYS CE  NZ   sing N N 230 
LYS CE  HE2  sing N N 231 
LYS CE  HE3  sing N N 232 
LYS NZ  HZ1  sing N N 233 
LYS NZ  HZ2  sing N N 234 
LYS NZ  HZ3  sing N N 235 
LYS OXT HXT  sing N N 236 
MET N   CA   sing N N 237 
MET N   H    sing N N 238 
MET N   H2   sing N N 239 
MET CA  C    sing N N 240 
MET CA  CB   sing N N 241 
MET CA  HA   sing N N 242 
MET C   O    doub N N 243 
MET C   OXT  sing N N 244 
MET CB  CG   sing N N 245 
MET CB  HB2  sing N N 246 
MET CB  HB3  sing N N 247 
MET CG  SD   sing N N 248 
MET CG  HG2  sing N N 249 
MET CG  HG3  sing N N 250 
MET SD  CE   sing N N 251 
MET CE  HE1  sing N N 252 
MET CE  HE2  sing N N 253 
MET CE  HE3  sing N N 254 
MET OXT HXT  sing N N 255 
PHE N   CA   sing N N 256 
PHE N   H    sing N N 257 
PHE N   H2   sing N N 258 
PHE CA  C    sing N N 259 
PHE CA  CB   sing N N 260 
PHE CA  HA   sing N N 261 
PHE C   O    doub N N 262 
PHE C   OXT  sing N N 263 
PHE CB  CG   sing N N 264 
PHE CB  HB2  sing N N 265 
PHE CB  HB3  sing N N 266 
PHE CG  CD1  doub Y N 267 
PHE CG  CD2  sing Y N 268 
PHE CD1 CE1  sing Y N 269 
PHE CD1 HD1  sing N N 270 
PHE CD2 CE2  doub Y N 271 
PHE CD2 HD2  sing N N 272 
PHE CE1 CZ   doub Y N 273 
PHE CE1 HE1  sing N N 274 
PHE CE2 CZ   sing Y N 275 
PHE CE2 HE2  sing N N 276 
PHE CZ  HZ   sing N N 277 
PHE OXT HXT  sing N N 278 
PRO N   CA   sing N N 279 
PRO N   CD   sing N N 280 
PRO N   H    sing N N 281 
PRO CA  C    sing N N 282 
PRO CA  CB   sing N N 283 
PRO CA  HA   sing N N 284 
PRO C   O    doub N N 285 
PRO C   OXT  sing N N 286 
PRO CB  CG   sing N N 287 
PRO CB  HB2  sing N N 288 
PRO CB  HB3  sing N N 289 
PRO CG  CD   sing N N 290 
PRO CG  HG2  sing N N 291 
PRO CG  HG3  sing N N 292 
PRO CD  HD2  sing N N 293 
PRO CD  HD3  sing N N 294 
PRO OXT HXT  sing N N 295 
SER N   CA   sing N N 296 
SER N   H    sing N N 297 
SER N   H2   sing N N 298 
SER CA  C    sing N N 299 
SER CA  CB   sing N N 300 
SER CA  HA   sing N N 301 
SER C   O    doub N N 302 
SER C   OXT  sing N N 303 
SER CB  OG   sing N N 304 
SER CB  HB2  sing N N 305 
SER CB  HB3  sing N N 306 
SER OG  HG   sing N N 307 
SER OXT HXT  sing N N 308 
THR N   CA   sing N N 309 
THR N   H    sing N N 310 
THR N   H2   sing N N 311 
THR CA  C    sing N N 312 
THR CA  CB   sing N N 313 
THR CA  HA   sing N N 314 
THR C   O    doub N N 315 
THR C   OXT  sing N N 316 
THR CB  OG1  sing N N 317 
THR CB  CG2  sing N N 318 
THR CB  HB   sing N N 319 
THR OG1 HG1  sing N N 320 
THR CG2 HG21 sing N N 321 
THR CG2 HG22 sing N N 322 
THR CG2 HG23 sing N N 323 
THR OXT HXT  sing N N 324 
TRP N   CA   sing N N 325 
TRP N   H    sing N N 326 
TRP N   H2   sing N N 327 
TRP CA  C    sing N N 328 
TRP CA  CB   sing N N 329 
TRP CA  HA   sing N N 330 
TRP C   O    doub N N 331 
TRP C   OXT  sing N N 332 
TRP CB  CG   sing N N 333 
TRP CB  HB2  sing N N 334 
TRP CB  HB3  sing N N 335 
TRP CG  CD1  doub Y N 336 
TRP CG  CD2  sing Y N 337 
TRP CD1 NE1  sing Y N 338 
TRP CD1 HD1  sing N N 339 
TRP CD2 CE2  doub Y N 340 
TRP CD2 CE3  sing Y N 341 
TRP NE1 CE2  sing Y N 342 
TRP NE1 HE1  sing N N 343 
TRP CE2 CZ2  sing Y N 344 
TRP CE3 CZ3  doub Y N 345 
TRP CE3 HE3  sing N N 346 
TRP CZ2 CH2  doub Y N 347 
TRP CZ2 HZ2  sing N N 348 
TRP CZ3 CH2  sing Y N 349 
TRP CZ3 HZ3  sing N N 350 
TRP CH2 HH2  sing N N 351 
TRP OXT HXT  sing N N 352 
TYR N   CA   sing N N 353 
TYR N   H    sing N N 354 
TYR N   H2   sing N N 355 
TYR CA  C    sing N N 356 
TYR CA  CB   sing N N 357 
TYR CA  HA   sing N N 358 
TYR C   O    doub N N 359 
TYR C   OXT  sing N N 360 
TYR CB  CG   sing N N 361 
TYR CB  HB2  sing N N 362 
TYR CB  HB3  sing N N 363 
TYR CG  CD1  doub Y N 364 
TYR CG  CD2  sing Y N 365 
TYR CD1 CE1  sing Y N 366 
TYR CD1 HD1  sing N N 367 
TYR CD2 CE2  doub Y N 368 
TYR CD2 HD2  sing N N 369 
TYR CE1 CZ   doub Y N 370 
TYR CE1 HE1  sing N N 371 
TYR CE2 CZ   sing Y N 372 
TYR CE2 HE2  sing N N 373 
TYR CZ  OH   sing N N 374 
TYR OH  HH   sing N N 375 
TYR OXT HXT  sing N N 376 
VAL N   CA   sing N N 377 
VAL N   H    sing N N 378 
VAL N   H2   sing N N 379 
VAL CA  C    sing N N 380 
VAL CA  CB   sing N N 381 
VAL CA  HA   sing N N 382 
VAL C   O    doub N N 383 
VAL C   OXT  sing N N 384 
VAL CB  CG1  sing N N 385 
VAL CB  CG2  sing N N 386 
VAL CB  HB   sing N N 387 
VAL CG1 HG11 sing N N 388 
VAL CG1 HG12 sing N N 389 
VAL CG1 HG13 sing N N 390 
VAL CG2 HG21 sing N N 391 
VAL CG2 HG22 sing N N 392 
VAL CG2 HG23 sing N N 393 
VAL OXT HXT  sing N N 394 
# 
_pdbx_audit_support.funding_organization   'European Research Council (ERC)' 
_pdbx_audit_support.country                'European Union' 
_pdbx_audit_support.grant_number           885396 
_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   6I8N 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9H9X 
_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]   0.020920 
_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]   0.020712 
_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]   0.010913 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
C 
H 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N    . ALA A 1 2   ? 0.535   -3.546  -17.323 1.00 81.60  ? 2   ALA A N    1 
ATOM   2    C CA   . ALA A 1 2   ? 0.165   -4.929  -17.600 1.00 78.97  ? 2   ALA A CA   1 
ATOM   3    C C    . ALA A 1 2   ? -0.722  -5.442  -16.488 1.00 85.36  ? 2   ALA A C    1 
ATOM   4    O O    . ALA A 1 2   ? -1.911  -5.653  -16.669 1.00 89.05  ? 2   ALA A O    1 
ATOM   5    C CB   . ALA A 1 2   ? 1.370   -5.776  -17.724 1.00 81.08  ? 2   ALA A CB   1 
ATOM   6    H HA   . ALA A 1 2   ? -0.313  -4.977  -18.442 1.00 94.86  ? 2   ALA A HA   1 
ATOM   7    H HB1  . ALA A 1 2   ? 1.098   -6.705  -17.788 1.00 97.39  ? 2   ALA A HB1  1 
ATOM   8    H HB2  . ALA A 1 2   ? 1.857   -5.518  -18.523 1.00 97.39  ? 2   ALA A HB2  1 
ATOM   9    H HB3  . ALA A 1 2   ? 1.929   -5.648  -16.941 1.00 97.39  ? 2   ALA A HB3  1 
ATOM   10   N N    . GLU A 1 3   ? -0.153  -5.604  -15.299 1.00 73.50  ? 3   GLU A N    1 
ATOM   11   C CA   . GLU A 1 3   ? -0.946  -6.140  -14.195 1.00 73.80  ? 3   GLU A CA   1 
ATOM   12   C C    . GLU A 1 3   ? -1.996  -5.146  -13.719 1.00 67.47  ? 3   GLU A C    1 
ATOM   13   O O    . GLU A 1 3   ? -3.104  -5.544  -13.355 1.00 59.69  ? 3   GLU A O    1 
ATOM   14   C CB   . GLU A 1 3   ? -0.059  -6.571  -13.040 1.00 79.91  ? 3   GLU A CB   1 
ATOM   15   C CG   . GLU A 1 3   ? 0.902   -7.689  -13.427 1.00 88.14  ? 3   GLU A CG   1 
ATOM   16   C CD   . GLU A 1 3   ? 0.121   -8.839  -14.084 1.00 95.19  ? 3   GLU A CD   1 
ATOM   17   O OE1  . GLU A 1 3   ? -0.817  -9.378  -13.426 1.00 96.23  ? 3   GLU A OE1  1 
ATOM   18   O OE2  . GLU A 1 3   ? 0.423   -9.198  -15.251 1.00 94.61  ? 3   GLU A OE2  1 
ATOM   19   H H    . GLU A 1 3   ? 0.664   -5.418  -15.108 1.00 88.29  ? 3   GLU A H    1 
ATOM   20   H HA   . GLU A 1 3   ? -1.405  -6.930  -14.521 1.00 88.65  ? 3   GLU A HA   1 
ATOM   21   H HB2  . GLU A 1 3   ? 0.466   -5.811  -12.744 1.00 95.98  ? 3   GLU A HB2  1 
ATOM   22   H HB3  . GLU A 1 3   ? -0.618  -6.891  -12.315 1.00 95.98  ? 3   GLU A HB3  1 
ATOM   23   H HG2  . GLU A 1 3   ? 1.557   -7.354  -14.060 1.00 105.86 ? 3   GLU A HG2  1 
ATOM   24   H HG3  . GLU A 1 3   ? 1.349   -8.026  -12.635 1.00 105.86 ? 3   GLU A HG3  1 
ATOM   25   N N    . ILE A 1 4   ? -1.675  -3.861  -13.718 1.00 58.26  ? 4   ILE A N    1 
ATOM   26   C CA   . ILE A 1 4   ? -2.604  -2.858  -13.181 1.00 75.84  ? 4   ILE A CA   1 
ATOM   27   C C    . ILE A 1 4   ? -3.867  -2.810  -14.021 1.00 74.21  ? 4   ILE A C    1 
ATOM   28   O O    . ILE A 1 4   ? -4.992  -2.987  -13.477 1.00 53.54  ? 4   ILE A O    1 
ATOM   29   C CB   . ILE A 1 4   ? -1.959  -1.471  -13.091 1.00 66.54  ? 4   ILE A CB   1 
ATOM   30   C CG1  . ILE A 1 4   ? -1.009  -1.456  -11.895 1.00 69.26  ? 4   ILE A CG1  1 
ATOM   31   C CG2  . ILE A 1 4   ? -3.037  -0.394  -13.011 1.00 65.38  ? 4   ILE A CG2  1 
ATOM   32   C CD1  . ILE A 1 4   ? -1.665  -1.408  -10.549 1.00 79.18  ? 4   ILE A CD1  1 
ATOM   33   H H    . ILE A 1 4   ? -0.935  -3.541  -14.017 1.00 70.01  ? 4   ILE A H    1 
ATOM   34   H HA   . ILE A 1 4   ? -2.853  -3.141  -12.287 1.00 91.10  ? 4   ILE A HA   1 
ATOM   35   H HB   . ILE A 1 4   ? -1.440  -1.281  -13.888 1.00 79.93  ? 4   ILE A HB   1 
ATOM   36   H HG12 . ILE A 1 4   ? -0.469  -2.261  -11.924 1.00 83.20  ? 4   ILE A HG12 1 
ATOM   37   H HG13 . ILE A 1 4   ? -0.441  -0.673  -11.967 1.00 83.20  ? 4   ILE A HG13 1 
ATOM   38   H HG21 . ILE A 1 4   ? -2.636  0.432   -12.699 1.00 78.55  ? 4   ILE A HG21 1 
ATOM   39   H HG22 . ILE A 1 4   ? -3.419  -0.264  -13.893 1.00 78.55  ? 4   ILE A HG22 1 
ATOM   40   H HG23 . ILE A 1 4   ? -3.726  -0.682  -12.392 1.00 78.55  ? 4   ILE A HG23 1 
ATOM   41   H HD11 . ILE A 1 4   ? -0.990  -1.528  -9.863  1.00 95.11  ? 4   ILE A HD11 1 
ATOM   42   H HD12 . ILE A 1 4   ? -2.098  -0.546  -10.439 1.00 95.11  ? 4   ILE A HD12 1 
ATOM   43   H HD13 . ILE A 1 4   ? -2.324  -2.118  -10.493 1.00 95.11  ? 4   ILE A HD13 1 
ATOM   44   N N    . PRO A 1 5   ? -3.736  -2.584  -15.359 1.00 75.26  ? 5   PRO A N    1 
ATOM   45   C CA   . PRO A 1 5   ? -4.932  -2.622  -16.222 1.00 71.01  ? 5   PRO A CA   1 
ATOM   46   C C    . PRO A 1 5   ? -5.693  -3.953  -16.076 1.00 70.67  ? 5   PRO A C    1 
ATOM   47   O O    . PRO A 1 5   ? -6.925  -3.950  -15.981 1.00 50.30  ? 5   PRO A O    1 
ATOM   48   C CB   . PRO A 1 5   ? -4.388  -2.401  -17.654 1.00 62.45  ? 5   PRO A CB   1 
ATOM   49   C CG   . PRO A 1 5   ? -2.894  -2.660  -17.548 1.00 66.17  ? 5   PRO A CG   1 
ATOM   50   C CD   . PRO A 1 5   ? -2.480  -2.316  -16.125 1.00 64.25  ? 5   PRO A CD   1 
ATOM   51   H HA   . PRO A 1 5   ? -5.515  -1.873  -16.022 1.00 85.31  ? 5   PRO A HA   1 
ATOM   52   H HB2  . PRO A 1 5   ? -4.807  -3.025  -18.267 1.00 75.03  ? 5   PRO A HB2  1 
ATOM   53   H HB3  . PRO A 1 5   ? -4.564  -1.490  -17.937 1.00 75.03  ? 5   PRO A HB3  1 
ATOM   54   H HG2  . PRO A 1 5   ? -2.716  -3.595  -17.737 1.00 79.50  ? 5   PRO A HG2  1 
ATOM   55   H HG3  . PRO A 1 5   ? -2.424  -2.098  -18.184 1.00 79.50  ? 5   PRO A HG3  1 
ATOM   56   H HD2  . PRO A 1 5   ? -1.757  -2.887  -15.823 1.00 77.19  ? 5   PRO A HD2  1 
ATOM   57   H HD3  . PRO A 1 5   ? -2.218  -1.384  -16.052 1.00 77.19  ? 5   PRO A HD3  1 
ATOM   58   N N    . LYS A 1 6   ? -4.988  -5.081  -15.974 1.00 69.25  ? 6   LYS A N    1 
ATOM   59   C CA   . LYS A 1 6   ? -5.648  -6.372  -15.814 1.00 68.43  ? 6   LYS A CA   1 
ATOM   60   C C    . LYS A 1 6   ? -6.512  -6.393  -14.556 1.00 63.51  ? 6   LYS A C    1 
ATOM   61   O O    . LYS A 1 6   ? -7.657  -6.869  -14.580 1.00 54.64  ? 6   LYS A O    1 
ATOM   62   C CB   . LYS A 1 6   ? -4.612  -7.516  -15.765 1.00 73.32  ? 6   LYS A CB   1 
ATOM   63   C CG   . LYS A 1 6   ? -4.079  -8.040  -17.120 1.00 69.35  ? 6   LYS A CG   1 
ATOM   64   C CD   . LYS A 1 6   ? -2.984  -9.119  -16.925 1.00 95.39  ? 6   LYS A CD   1 
ATOM   65   C CE   . LYS A 1 6   ? -2.597  -9.858  -18.242 1.00 90.68  ? 6   LYS A CE   1 
ATOM   66   N NZ   . LYS A 1 6   ? -1.576  -10.920 -18.039 1.00 85.41  ? 6   LYS A NZ   1 
ATOM   67   H H    . LYS A 1 6   ? -4.129  -5.124  -15.995 1.00 83.19  ? 6   LYS A H    1 
ATOM   68   H HA   . LYS A 1 6   ? -6.216  -6.517  -16.587 1.00 82.21  ? 6   LYS A HA   1 
ATOM   69   H HB2  . LYS A 1 6   ? -3.845  -7.203  -15.261 1.00 88.08  ? 6   LYS A HB2  1 
ATOM   70   H HB3  . LYS A 1 6   ? -5.021  -8.270  -15.312 1.00 88.08  ? 6   LYS A HB3  1 
ATOM   71   H HG2  . LYS A 1 6   ? -4.809  -8.435  -17.621 1.00 83.31  ? 6   LYS A HG2  1 
ATOM   72   H HG3  . LYS A 1 6   ? -3.694  -7.303  -17.620 1.00 83.31  ? 6   LYS A HG3  1 
ATOM   73   H HD2  . LYS A 1 6   ? -2.184  -8.695  -16.578 1.00 114.56 ? 6   LYS A HD2  1 
ATOM   74   H HD3  . LYS A 1 6   ? -3.307  -9.784  -16.297 1.00 114.56 ? 6   LYS A HD3  1 
ATOM   75   H HE2  . LYS A 1 6   ? -3.391  -10.275 -18.613 1.00 108.91 ? 6   LYS A HE2  1 
ATOM   76   H HE3  . LYS A 1 6   ? -2.236  -9.214  -18.871 1.00 108.91 ? 6   LYS A HE3  1 
ATOM   77   H HZ1  . LYS A 1 6   ? -1.375  -11.302 -18.817 1.00 102.59 ? 6   LYS A HZ1  1 
ATOM   78   H HZ2  . LYS A 1 6   ? -0.836  -10.568 -17.690 1.00 102.59 ? 6   LYS A HZ2  1 
ATOM   79   H HZ3  . LYS A 1 6   ? -1.889  -11.541 -17.484 1.00 102.59 ? 6   LYS A HZ3  1 
ATOM   80   N N    . GLU A 1 7   ? -5.967  -5.934  -13.434 1.00 63.53  ? 7   GLU A N    1 
ATOM   81   C CA   . GLU A 1 7   ? -6.753  -5.907  -12.209 1.00 56.69  ? 7   GLU A CA   1 
ATOM   82   C C    . GLU A 1 7   ? -7.999  -5.071  -12.395 1.00 50.31  ? 7   GLU A C    1 
ATOM   83   O O    . GLU A 1 7   ? -9.051  -5.399  -11.846 1.00 52.36  ? 7   GLU A O    1 
ATOM   84   C CB   . GLU A 1 7   ? -5.893  -5.387  -11.065 1.00 57.00  ? 7   GLU A CB   1 
ATOM   85   C CG   . GLU A 1 7   ? -6.583  -5.237  -9.734  1.00 53.08  ? 7   GLU A CG   1 
ATOM   86   C CD   . GLU A 1 7   ? -5.573  -4.738  -8.712  1.00 59.69  ? 7   GLU A CD   1 
ATOM   87   O OE1  . GLU A 1 7   ? -5.115  -3.557  -8.822  1.00 53.22  ? 7   GLU A OE1  1 
ATOM   88   O OE2  . GLU A 1 7   ? -5.215  -5.564  -7.838  1.00 55.65  ? 7   GLU A OE2  1 
ATOM   89   H H    . GLU A 1 7   ? -5.163  -5.640  -13.357 1.00 76.32  ? 7   GLU A H    1 
ATOM   90   H HA   . GLU A 1 7   ? -7.036  -6.805  -11.977 1.00 68.12  ? 7   GLU A HA   1 
ATOM   91   H HB2  . GLU A 1 7   ? -5.155  -6.003  -10.937 1.00 68.50  ? 7   GLU A HB2  1 
ATOM   92   H HB3  . GLU A 1 7   ? -5.557  -4.512  -11.313 1.00 68.50  ? 7   GLU A HB3  1 
ATOM   93   H HG2  . GLU A 1 7   ? -7.305  -4.593  -9.806  1.00 63.79  ? 7   GLU A HG2  1 
ATOM   94   H HG3  . GLU A 1 7   ? -6.931  -6.094  -9.443  1.00 63.79  ? 7   GLU A HG3  1 
ATOM   95   N N    . MET A 1 8   ? -7.879  -3.942  -13.109 1.00 53.40  ? 8   MET A N    1 
ATOM   96   C CA   . MET A 1 8   ? -9.057  -3.096  -13.337 1.00 49.88  ? 8   MET A CA   1 
ATOM   97   C C    . MET A 1 8   ? -10.133 -3.849  -14.099 1.00 51.95  ? 8   MET A C    1 
ATOM   98   O O    . MET A 1 8   ? -11.322 -3.788  -13.744 1.00 42.99  ? 8   MET A O    1 
ATOM   99   C CB   . MET A 1 8   ? -8.700  -1.816  -14.086 1.00 47.70  ? 8   MET A CB   1 
ATOM   100  C CG   . MET A 1 8   ? -7.951  -0.876  -13.232 1.00 45.09  ? 8   MET A CG   1 
ATOM   101  S SD   . MET A 1 8   ? -7.619  0.716   -13.960 1.00 50.98  ? 8   MET A SD   1 
ATOM   102  C CE   . MET A 1 8   ? -6.440  1.352   -12.705 1.00 39.56  ? 8   MET A CE   1 
ATOM   103  H H    . MET A 1 8   ? -7.150  -3.654  -13.462 1.00 64.17  ? 8   MET A H    1 
ATOM   104  H HA   . MET A 1 8   ? -9.388  -2.835  -12.463 1.00 59.95  ? 8   MET A HA   1 
ATOM   105  H HB2  . MET A 1 8   ? -8.149  -2.037  -14.853 1.00 57.33  ? 8   MET A HB2  1 
ATOM   106  H HB3  . MET A 1 8   ? -9.515  -1.379  -14.379 1.00 57.33  ? 8   MET A HB3  1 
ATOM   107  H HG2  . MET A 1 8   ? -8.463  -0.723  -12.422 1.00 54.20  ? 8   MET A HG2  1 
ATOM   108  H HG3  . MET A 1 8   ? -7.096  -1.278  -13.012 1.00 54.20  ? 8   MET A HG3  1 
ATOM   109  H HE1  . MET A 1 8   ? -6.278  2.294   -12.872 1.00 47.57  ? 8   MET A HE1  1 
ATOM   110  H HE2  . MET A 1 8   ? -6.824  1.235   -11.822 1.00 47.57  ? 8   MET A HE2  1 
ATOM   111  H HE3  . MET A 1 8   ? -5.609  0.857   -12.772 1.00 47.57  ? 8   MET A HE3  1 
ATOM   112  N N    . LEU A 1 9   ? -9.744  -4.535  -15.191 1.00 53.22  ? 9   LEU A N    1 
ATOM   113  C CA   . LEU A 1 9   ? -10.719 -5.298  -15.968 1.00 49.74  ? 9   LEU A CA   1 
ATOM   114  C C    . LEU A 1 9   ? -11.333 -6.409  -15.133 1.00 50.88  ? 9   LEU A C    1 
ATOM   115  O O    . LEU A 1 9   ? -12.554 -6.653  -15.200 1.00 42.97  ? 9   LEU A O    1 
ATOM   116  C CB   . LEU A 1 9   ? -10.079 -5.914  -17.198 1.00 52.40  ? 9   LEU A CB   1 
ATOM   117  C CG   . LEU A 1 9   ? -9.657  -4.974  -18.303 1.00 52.44  ? 9   LEU A CG   1 
ATOM   118  C CD1  . LEU A 1 9   ? -8.942  -5.884  -19.296 1.00 51.78  ? 9   LEU A CD1  1 
ATOM   119  C CD2  . LEU A 1 9   ? -10.791 -4.214  -18.878 1.00 55.03  ? 9   LEU A CD2  1 
ATOM   120  H H    . LEU A 1 9   ? -8.938  -4.569  -15.490 1.00 63.95  ? 9   LEU A H    1 
ATOM   121  H HA   . LEU A 1 9   ? -11.409 -4.680  -16.255 1.00 59.78  ? 9   LEU A HA   1 
ATOM   122  H HB2  . LEU A 1 9   ? -9.283  -6.390  -16.914 1.00 62.97  ? 9   LEU A HB2  1 
ATOM   123  H HB3  . LEU A 1 9   ? -10.716 -6.535  -17.585 1.00 62.97  ? 9   LEU A HB3  1 
ATOM   124  H HG   . LEU A 1 9   ? -9.076  -4.259  -18.000 1.00 63.03  ? 9   LEU A HG   1 
ATOM   125  H HD11 . LEU A 1 9   ? -8.886  -5.433  -20.153 1.00 62.23  ? 9   LEU A HD11 1 
ATOM   126  H HD12 . LEU A 1 9   ? -8.050  -6.074  -18.964 1.00 62.23  ? 9   LEU A HD12 1 
ATOM   127  H HD13 . LEU A 1 9   ? -9.444  -6.708  -19.388 1.00 62.23  ? 9   LEU A HD13 1 
ATOM   128  H HD21 . LEU A 1 9   ? -10.511 -3.816  -19.718 1.00 66.13  ? 9   LEU A HD21 1 
ATOM   129  H HD22 . LEU A 1 9   ? -11.533 -4.820  -19.031 1.00 66.13  ? 9   LEU A HD22 1 
ATOM   130  H HD23 . LEU A 1 9   ? -11.054 -3.519  -18.255 1.00 66.13  ? 9   LEU A HD23 1 
ATOM   131  N N    . ARG A 1 10  ? -10.533 -7.085  -14.308 1.00 48.68  ? 10  ARG A N    1 
ATOM   132  C CA   . ARG A 1 10  ? -11.102 -8.103  -13.414 1.00 52.21  ? 10  ARG A CA   1 
ATOM   133  C C    . ARG A 1 10  ? -12.127 -7.520  -12.438 1.00 50.74  ? 10  ARG A C    1 
ATOM   134  O O    . ARG A 1 10  ? -13.191 -8.114  -12.200 1.00 47.86  ? 10  ARG A O    1 
ATOM   135  C CB   . ARG A 1 10  ? -10.002 -8.762  -12.611 1.00 55.92  ? 10  ARG A CB   1 
ATOM   136  C CG   . ARG A 1 10  ? -9.397  -10.012 -13.223 1.00 66.72  ? 10  ARG A CG   1 
ATOM   137  C CD   . ARG A 1 10  ? -8.769  -10.864 -12.141 1.00 63.66  ? 10  ARG A CD   1 
ATOM   138  N NE   . ARG A 1 10  ? -7.742  -10.097 -11.452 1.00 64.43  ? 10  ARG A NE   1 
ATOM   139  C CZ   . ARG A 1 10  ? -6.563  -9.811  -11.974 1.00 67.53  ? 10  ARG A CZ   1 
ATOM   140  N NH1  . ARG A 1 10  ? -6.202  -10.262 -13.171 1.00 78.81  ? 10  ARG A NH1  1 
ATOM   141  N NH2  . ARG A 1 10  ? -5.732  -9.030  -11.295 1.00 63.67  ? 10  ARG A NH2  1 
ATOM   142  H H    . ARG A 1 10  ? -9.681  -6.980  -14.245 1.00 58.51  ? 10  ARG A H    1 
ATOM   143  H HA   . ARG A 1 10  ? -11.545 -8.757  -13.976 1.00 62.74  ? 10  ARG A HA   1 
ATOM   144  H HB2  . ARG A 1 10  ? -9.283  -8.121  -12.497 1.00 67.20  ? 10  ARG A HB2  1 
ATOM   145  H HB3  . ARG A 1 10  ? -10.365 -9.012  -11.747 1.00 67.20  ? 10  ARG A HB3  1 
ATOM   146  H HG2  . ARG A 1 10  ? -10.089 -10.529 -13.664 1.00 80.16  ? 10  ARG A HG2  1 
ATOM   147  H HG3  . ARG A 1 10  ? -8.711  -9.764  -13.862 1.00 80.16  ? 10  ARG A HG3  1 
ATOM   148  H HD2  . ARG A 1 10  ? -9.445  -11.130 -11.499 1.00 76.48  ? 10  ARG A HD2  1 
ATOM   149  H HD3  . ARG A 1 10  ? -8.361  -11.649 -12.537 1.00 76.48  ? 10  ARG A HD3  1 
ATOM   150  H HE   . ARG A 1 10  ? -7.913  -9.813  -10.659 1.00 77.41  ? 10  ARG A HE   1 
ATOM   151  H HH11 . ARG A 1 10  ? -5.429  -10.062 -13.491 1.00 94.67  ? 10  ARG A HH11 1 
ATOM   152  H HH12 . ARG A 1 10  ? -6.742  -10.753 -13.627 1.00 94.67  ? 10  ARG A HH12 1 
ATOM   153  H HH21 . ARG A 1 10  ? -5.964  -8.718  -10.528 1.00 76.50  ? 10  ARG A HH21 1 
ATOM   154  H HH22 . ARG A 1 10  ? -4.961  -8.835  -11.623 1.00 76.50  ? 10  ARG A HH22 1 
ATOM   155  N N    . ALA A 1 11  ? -11.761 -6.421  -11.760 1.00 48.17  ? 11  ALA A N    1 
ATOM   156  C CA   . ALA A 1 11  ? -12.688 -5.813  -10.809 1.00 44.87  ? 11  ALA A CA   1 
ATOM   157  C C    . ALA A 1 11  ? -13.993 -5.415  -11.493 1.00 45.18  ? 11  ALA A C    1 
ATOM   158  O O    . ALA A 1 11  ? -15.091 -5.670  -10.960 1.00 44.49  ? 11  ALA A O    1 
ATOM   159  C CB   . ALA A 1 11  ? -12.034 -4.586  -10.146 1.00 50.61  ? 11  ALA A CB   1 
ATOM   160  H H    . ALA A 1 11  ? -11.003 -6.023  -11.834 1.00 57.90  ? 11  ALA A H    1 
ATOM   161  H HA   . ALA A 1 11  ? -12.893 -6.459  -10.114 1.00 53.93  ? 11  ALA A HA   1 
ATOM   162  H HB1  . ALA A 1 11  ? -12.678 -4.167  -9.554  1.00 60.82  ? 11  ALA A HB1  1 
ATOM   163  H HB2  . ALA A 1 11  ? -11.260 -4.876  -9.639  1.00 60.82  ? 11  ALA A HB2  1 
ATOM   164  H HB3  . ALA A 1 11  ? -11.763 -3.961  -10.836 1.00 60.82  ? 11  ALA A HB3  1 
ATOM   165  N N    . GLN A 1 12  ? -13.916 -4.814  -12.689 1.00 44.24  ? 12  GLN A N    1 
ATOM   166  C CA   . GLN A 1 12  ? -15.133 -4.383  -13.382 1.00 44.75  ? 12  GLN A CA   1 
ATOM   167  C C    . GLN A 1 12  ? -15.997 -5.580  -13.697 1.00 45.23  ? 12  GLN A C    1 
ATOM   168  O O    . GLN A 1 12  ? -17.244 -5.535  -13.591 1.00 42.26  ? 12  GLN A O    1 
ATOM   169  C CB   . GLN A 1 12  ? -14.747 -3.690  -14.683 1.00 51.64  ? 12  GLN A CB   1 
ATOM   170  C CG   . GLN A 1 12  ? -14.057 -2.408  -14.560 1.00 51.40  ? 12  GLN A CG   1 
ATOM   171  C CD   . GLN A 1 12  ? -13.475 -1.928  -15.885 1.00 54.15  ? 12  GLN A CD   1 
ATOM   172  O OE1  . GLN A 1 12  ? -13.969 -2.248  -16.967 1.00 52.37  ? 12  GLN A OE1  1 
ATOM   173  N NE2  . GLN A 1 12  ? -12.412 -1.141  -15.792 1.00 51.36  ? 12  GLN A NE2  1 
ATOM   174  H H    . GLN A 1 12  ? -13.185 -4.648  -13.111 1.00 53.18  ? 12  GLN A H    1 
ATOM   175  H HA   . GLN A 1 12  ? -15.627 -3.763  -12.824 1.00 53.79  ? 12  GLN A HA   1 
ATOM   176  H HB2  . GLN A 1 12  ? -14.160 -4.282  -15.177 1.00 62.07  ? 12  GLN A HB2  1 
ATOM   177  H HB3  . GLN A 1 12  ? -15.558 -3.528  -15.190 1.00 62.07  ? 12  GLN A HB3  1 
ATOM   178  H HG2  . GLN A 1 12  ? -14.685 -1.738  -14.247 1.00 61.78  ? 12  GLN A HG2  1 
ATOM   179  H HG3  . GLN A 1 12  ? -13.327 -2.500  -13.927 1.00 61.78  ? 12  GLN A HG3  1 
ATOM   180  H HE21 . GLN A 1 12  ? -12.096 -0.934  -15.019 1.00 61.73  ? 12  GLN A HE21 1 
ATOM   181  H HE22 . GLN A 1 12  ? -12.038 -0.838  -16.505 1.00 61.73  ? 12  GLN A HE22 1 
ATOM   182  N N    . THR A 1 13  ? -15.363 -6.668  -14.139 1.00 37.98  ? 13  THR A N    1 
ATOM   183  C CA   . THR A 1 13  ? -16.166 -7.856  -14.427 1.00 43.61  ? 13  THR A CA   1 
ATOM   184  C C    . THR A 1 13  ? -16.801 -8.409  -13.156 1.00 45.71  ? 13  THR A C    1 
ATOM   185  O O    . THR A 1 13  ? -17.996 -8.693  -13.126 1.00 39.57  ? 13  THR A O    1 
ATOM   186  C CB   . THR A 1 13  ? -15.357 -8.908  -15.153 1.00 48.17  ? 13  THR A CB   1 
ATOM   187  O OG1  . THR A 1 13  ? -14.900 -8.369  -16.400 1.00 43.83  ? 13  THR A OG1  1 
ATOM   188  C CG2  . THR A 1 13  ? -16.278 -10.062 -15.384 1.00 45.75  ? 13  THR A CG2  1 
ATOM   189  H H    . THR A 1 13  ? -14.516 -6.740  -14.274 1.00 45.67  ? 13  THR A H    1 
ATOM   190  H HA   . THR A 1 13  ? -16.881 -7.599  -15.030 1.00 52.42  ? 13  THR A HA   1 
ATOM   191  H HB   . THR A 1 13  ? -14.578 -9.196  -14.653 1.00 57.90  ? 13  THR A HB   1 
ATOM   192  H HG1  . THR A 1 13  ? -14.497 -7.644  -16.269 1.00 52.69  ? 13  THR A HG1  1 
ATOM   193  H HG21 . THR A 1 13  ? -15.869 -10.696 -15.993 1.00 54.99  ? 13  THR A HG21 1 
ATOM   194  H HG22 . THR A 1 13  ? -16.467 -10.509 -14.544 1.00 54.99  ? 13  THR A HG22 1 
ATOM   195  H HG23 . THR A 1 13  ? -17.112 -9.749  -15.769 1.00 54.99  ? 13  THR A HG23 1 
ATOM   196  N N    . ASN A 1 14  ? -16.023 -8.582  -12.086 1.00 44.84  ? 14  ASN A N    1 
ATOM   197  C CA   . ASN A 1 14  ? -16.600 -9.116  -10.869 1.00 40.92  ? 14  ASN A CA   1 
ATOM   198  C C    . ASN A 1 14  ? -17.778 -8.241  -10.455 1.00 43.84  ? 14  ASN A C    1 
ATOM   199  O O    . ASN A 1 14  ? -18.793 -8.748  -10.029 1.00 47.65  ? 14  ASN A O    1 
ATOM   200  C CB   . ASN A 1 14  ? -15.606 -9.203  -9.720  1.00 46.30  ? 14  ASN A CB   1 
ATOM   201  C CG   . ASN A 1 14  ? -14.467 -10.081 -10.053 1.00 55.13  ? 14  ASN A CG   1 
ATOM   202  O OD1  . ASN A 1 14  ? -14.563 -10.832 -10.989 1.00 56.05  ? 14  ASN A OD1  1 
ATOM   203  N ND2  . ASN A 1 14  ? -13.400 -10.031 -9.279  1.00 62.67  ? 14  ASN A ND2  1 
ATOM   204  H H    . ASN A 1 14  ? -15.183 -8.402  -12.048 1.00 53.90  ? 14  ASN A H    1 
ATOM   205  H HA   . ASN A 1 14  ? -16.888 -10.027 -11.040 1.00 49.19  ? 14  ASN A HA   1 
ATOM   206  H HB2  . ASN A 1 14  ? -15.262 -8.317  -9.527  1.00 55.65  ? 14  ASN A HB2  1 
ATOM   207  H HB3  . ASN A 1 14  ? -16.051 -9.564  -8.937  1.00 55.65  ? 14  ASN A HB3  1 
ATOM   208  H HD21 . ASN A 1 14  ? -12.722 -10.531 -9.450  1.00 75.30  ? 14  ASN A HD21 1 
ATOM   209  H HD22 . ASN A 1 14  ? -13.383 -9.498  -8.604  1.00 75.30  ? 14  ASN A HD22 1 
HETATM 210  C C9   . BP5 A 1 15  ? -18.938 -3.437  -10.180 1.00 47.48  ? 15  BP5 A C9   1 
HETATM 211  C C8   . BP5 A 1 15  ? -19.318 -2.544  -11.169 1.00 52.76  ? 15  BP5 A C8   1 
HETATM 212  C C7   . BP5 A 1 15  ? -20.193 -1.528  -10.869 1.00 51.41  ? 15  BP5 A C7   1 
HETATM 213  C C6   . BP5 A 1 15  ? -20.739 -1.485  -9.597  1.00 49.68  ? 15  BP5 A C6   1 
HETATM 214  C C5   . BP5 A 1 15  ? -23.416 1.472   -8.387  1.00 50.81  ? 15  BP5 A C5   1 
HETATM 215  C C4   . BP5 A 1 15  ? -23.209 0.303   -7.696  1.00 58.91  ? 15  BP5 A C4   1 
HETATM 216  C C3   . BP5 A 1 15  ? -21.689 -0.437  -9.220  1.00 51.19  ? 15  BP5 A C3   1 
HETATM 217  C C2   . BP5 A 1 15  ? -21.834 0.707   -9.970  1.00 46.75  ? 15  BP5 A C2   1 
HETATM 218  C C1   . BP5 A 1 15  ? -22.715 1.672   -9.550  1.00 48.45  ? 15  BP5 A C1   1 
HETATM 219  C C12  . BP5 A 1 15  ? -17.976 -4.529  -10.486 1.00 43.71  ? 15  BP5 A C12  1 
HETATM 220  C C11  . BP5 A 1 15  ? -19.499 -3.270  -8.917  1.00 50.19  ? 15  BP5 A C11  1 
HETATM 221  N N1   . BP5 A 1 15  ? -22.360 -0.653  -8.084  1.00 54.95  ? 15  BP5 A N1   1 
HETATM 222  N N2   . BP5 A 1 15  ? -20.383 -2.325  -8.612  1.00 52.29  ? 15  BP5 A N2   1 
HETATM 223  C CA   . BP5 A 1 15  ? -18.603 -5.888  -10.171 1.00 46.61  ? 15  BP5 A CA   1 
HETATM 224  C C    . BP5 A 1 15  ? -19.898 -6.126  -10.891 1.00 46.81  ? 15  BP5 A C    1 
HETATM 225  O O    . BP5 A 1 15  ? -21.020 -6.159  -10.325 1.00 47.68  ? 15  BP5 A O    1 
HETATM 226  N N    . BP5 A 1 15  ? -17.624 -6.926  -10.600 1.00 42.45  ? 15  BP5 A N    1 
HETATM 227  H H5   . BP5 A 1 15  ? -24.025 2.119   -8.070  1.00 61.07  ? 15  BP5 A H5   1 
HETATM 228  H H4   . BP5 A 1 15  ? -23.694 0.162   -6.898  1.00 70.78  ? 15  BP5 A H4   1 
HETATM 229  H H3   . BP5 A 1 15  ? -21.334 0.826   -10.762 1.00 56.19  ? 15  BP5 A H3   1 
HETATM 230  H H11  . BP5 A 1 15  ? -19.236 -3.864  -8.228  1.00 60.32  ? 15  BP5 A H11  1 
ATOM   231  N N    . ILE A 1 16  ? -19.738 -6.352  -12.173 1.00 42.95  ? 16  ILE A N    1 
ATOM   232  C CA   . ILE A 1 16  ? -20.929 -6.555  -12.951 1.00 48.10  ? 16  ILE A CA   1 
ATOM   233  C C    . ILE A 1 16  ? -21.620 -7.865  -12.609 1.00 50.34  ? 16  ILE A C    1 
ATOM   234  O O    . ILE A 1 16  ? -22.884 -7.942  -12.471 1.00 43.36  ? 16  ILE A O    1 
ATOM   235  C CB   . ILE A 1 16  ? -20.585 -6.477  -14.454 1.00 45.02  ? 16  ILE A CB   1 
ATOM   236  C CG1  . ILE A 1 16  ? -20.291 -5.017  -14.783 1.00 42.04  ? 16  ILE A CG1  1 
ATOM   237  C CG2  . ILE A 1 16  ? -21.818 -6.920  -15.292 1.00 46.17  ? 16  ILE A CG2  1 
ATOM   238  C CD1  . ILE A 1 16  ? -19.491 -4.864  -16.055 1.00 46.02  ? 16  ILE A CD1  1 
ATOM   239  H H    . ILE A 1 16  ? -18.989 -6.390  -12.592 1.00 51.63  ? 16  ILE A H    1 
ATOM   240  H HA   . ILE A 1 16  ? -21.564 -5.854  -12.732 1.00 57.82  ? 16  ILE A HA   1 
ATOM   241  H HB   . ILE A 1 16  ? -19.827 -7.050  -14.652 1.00 54.12  ? 16  ILE A HB   1 
ATOM   242  H HG12 . ILE A 1 16  ? -21.129 -4.542  -14.894 1.00 50.54  ? 16  ILE A HG12 1 
ATOM   243  H HG13 . ILE A 1 16  ? -19.781 -4.624  -14.057 1.00 50.54  ? 16  ILE A HG13 1 
ATOM   244  H HG21 . ILE A 1 16  ? -21.664 -6.695  -16.223 1.00 55.50  ? 16  ILE A HG21 1 
ATOM   245  H HG22 . ILE A 1 16  ? -21.935 -7.878  -15.199 1.00 55.50  ? 16  ILE A HG22 1 
ATOM   246  H HG23 . ILE A 1 16  ? -22.605 -6.457  -14.966 1.00 55.50  ? 16  ILE A HG23 1 
ATOM   247  H HD11 . ILE A 1 16  ? -19.208 -3.941  -16.141 1.00 55.31  ? 16  ILE A HD11 1 
ATOM   248  H HD12 . ILE A 1 16  ? -18.716 -5.446  -16.012 1.00 55.31  ? 16  ILE A HD12 1 
ATOM   249  H HD13 . ILE A 1 16  ? -20.048 -5.111  -16.809 1.00 55.31  ? 16  ILE A HD13 1 
ATOM   250  N N    . LEU A 1 17  ? -20.805 -8.926  -12.529 1.00 40.15  ? 17  LEU A N    1 
ATOM   251  C CA   . LEU A 1 17  ? -21.379 -10.226 -12.277 1.00 46.06  ? 17  LEU A CA   1 
ATOM   252  C C    . LEU A 1 17  ? -22.114 -10.208 -10.959 1.00 46.25  ? 17  LEU A C    1 
ATOM   253  O O    . LEU A 1 17  ? -23.257 -10.706 -10.860 1.00 42.77  ? 17  LEU A O    1 
ATOM   254  C CB   . LEU A 1 17  ? -20.327 -11.320 -12.288 1.00 51.13  ? 17  LEU A CB   1 
ATOM   255  C CG   . LEU A 1 17  ? -19.678 -11.616 -13.634 1.00 53.09  ? 17  LEU A CG   1 
ATOM   256  C CD1  . LEU A 1 17  ? -18.637 -12.759 -13.460 1.00 47.05  ? 17  LEU A CD1  1 
ATOM   257  C CD2  . LEU A 1 17  ? -20.713 -11.961 -14.725 1.00 50.73  ? 17  LEU A CD2  1 
ATOM   258  H H    . LEU A 1 17  ? -19.950 -8.907  -12.615 1.00 48.27  ? 17  LEU A H    1 
ATOM   259  H HA   . LEU A 1 17  ? -21.996 -10.439 -12.995 1.00 55.36  ? 17  LEU A HA   1 
ATOM   260  H HB2  . LEU A 1 17  ? -19.618 -11.063 -11.678 1.00 61.45  ? 17  LEU A HB2  1 
ATOM   261  H HB3  . LEU A 1 17  ? -20.744 -12.142 -11.984 1.00 61.45  ? 17  LEU A HB3  1 
ATOM   262  H HG   . LEU A 1 17  ? -19.224 -10.818 -13.945 1.00 63.80  ? 17  LEU A HG   1 
ATOM   263  H HD11 . LEU A 1 17  ? -18.460 -13.160 -14.325 1.00 56.55  ? 17  LEU A HD11 1 
ATOM   264  H HD12 . LEU A 1 17  ? -17.818 -12.387 -13.094 1.00 56.55  ? 17  LEU A HD12 1 
ATOM   265  H HD13 . LEU A 1 17  ? -18.997 -13.425 -12.854 1.00 56.55  ? 17  LEU A HD13 1 
ATOM   266  H HD21 . LEU A 1 17  ? -20.248 -12.300 -15.506 1.00 60.97  ? 17  LEU A HD21 1 
ATOM   267  H HD22 . LEU A 1 17  ? -21.320 -12.636 -14.382 1.00 60.97  ? 17  LEU A HD22 1 
ATOM   268  H HD23 . LEU A 1 17  ? -21.207 -11.159 -14.956 1.00 60.97  ? 17  LEU A HD23 1 
ATOM   269  N N    . LEU A 1 18  ? -21.513 -9.588  -9.953  1.00 40.12  ? 18  LEU A N    1 
ATOM   270  C CA   . LEU A 1 18  ? -22.139 -9.554  -8.639  1.00 48.29  ? 18  LEU A CA   1 
ATOM   271  C C    . LEU A 1 18  ? -23.386 -8.703  -8.652  1.00 52.18  ? 18  LEU A C    1 
ATOM   272  O O    . LEU A 1 18  ? -24.355 -9.022  -7.945  1.00 59.52  ? 18  LEU A O    1 
ATOM   273  C CB   . LEU A 1 18  ? -21.180 -9.031  -7.586  1.00 54.61  ? 18  LEU A CB   1 
ATOM   274  C CG   . LEU A 1 18  ? -19.980 -9.940  -7.365  1.00 62.42  ? 18  LEU A CG   1 
ATOM   275  C CD1  . LEU A 1 18  ? -18.969 -9.189  -6.529  1.00 60.02  ? 18  LEU A CD1  1 
ATOM   276  C CD2  . LEU A 1 18  ? -20.335 -11.223 -6.680  1.00 60.52  ? 18  LEU A CD2  1 
ATOM   277  H H    . LEU A 1 18  ? -20.754 -9.185  -10.002 1.00 48.24  ? 18  LEU A H    1 
ATOM   278  H HA   . LEU A 1 18  ? -22.375 -10.463 -8.395  1.00 58.04  ? 18  LEU A HA   1 
ATOM   279  H HB2  . LEU A 1 18  ? -20.850 -8.163  -7.866  1.00 65.62  ? 18  LEU A HB2  1 
ATOM   280  H HB3  . LEU A 1 18  ? -21.653 -8.950  -6.743  1.00 65.62  ? 18  LEU A HB3  1 
ATOM   281  H HG   . LEU A 1 18  ? -19.615 -10.184 -8.229  1.00 75.00  ? 18  LEU A HG   1 
ATOM   282  H HD11 . LEU A 1 18  ? -18.202 -9.761  -6.371  1.00 72.12  ? 18  LEU A HD11 1 
ATOM   283  H HD12 . LEU A 1 18  ? -18.693 -8.392  -7.009  1.00 72.12  ? 18  LEU A HD12 1 
ATOM   284  H HD13 . LEU A 1 18  ? -19.378 -8.941  -5.685  1.00 72.12  ? 18  LEU A HD13 1 
ATOM   285  H HD21 . LEU A 1 18  ? -19.524 -11.730 -6.519  1.00 72.71  ? 18  LEU A HD21 1 
ATOM   286  H HD22 . LEU A 1 18  ? -20.772 -11.021 -5.838  1.00 72.71  ? 18  LEU A HD22 1 
ATOM   287  H HD23 . LEU A 1 18  ? -20.934 -11.729 -7.250  1.00 72.71  ? 18  LEU A HD23 1 
ATOM   288  N N    . ASN A 1 19  ? -23.470 -7.686  -9.520  1.00 52.88  ? 19  ASN A N    1 
ATOM   289  C CA   . ASN A 1 19  ? -24.728 -6.956  -9.588  1.00 52.80  ? 19  ASN A CA   1 
ATOM   290  C C    . ASN A 1 19  ? -25.831 -7.817  -10.215 1.00 56.15  ? 19  ASN A C    1 
ATOM   291  O O    . ASN A 1 19  ? -26.983 -7.806  -9.743  1.00 60.24  ? 19  ASN A O    1 
ATOM   292  C CB   . ASN A 1 19  ? -24.544 -5.626  -10.323 1.00 52.80  ? 19  ASN A CB   1 
ATOM   293  C CG   . ASN A 1 19  ? -24.089 -4.513  -9.373  1.00 56.07  ? 19  ASN A CG   1 
ATOM   294  O OD1  . ASN A 1 19  ? -24.913 -3.820  -8.760  1.00 55.20  ? 19  ASN A OD1  1 
ATOM   295  N ND2  . ASN A 1 19  ? -22.749 -4.339  -9.249  1.00 56.59  ? 19  ASN A ND2  1 
ATOM   296  H H    . ASN A 1 19  ? -22.845 -7.418  -10.047 1.00 63.55  ? 19  ASN A H    1 
ATOM   297  H HA   . ASN A 1 19  ? -25.015 -6.732  -8.689  1.00 63.45  ? 19  ASN A HA   1 
ATOM   298  H HB2  . ASN A 1 19  ? -23.870 -5.732  -11.012 1.00 63.45  ? 19  ASN A HB2  1 
ATOM   299  H HB3  . ASN A 1 19  ? -25.387 -5.361  -10.721 1.00 63.45  ? 19  ASN A HB3  1 
ATOM   300  H HD21 . ASN A 1 19  ? -22.441 -3.728  -8.728  1.00 68.00  ? 19  ASN A HD21 1 
ATOM   301  H HD22 . ASN A 1 19  ? -22.208 -4.840  -9.691  1.00 68.00  ? 19  ASN A HD22 1 
ATOM   302  N N    . VAL A 1 20  ? -25.501 -8.609  -11.241 1.00 45.80  ? 20  VAL A N    1 
ATOM   303  C CA   . VAL A 1 20  ? -26.475 -9.541  -11.785 1.00 58.33  ? 20  VAL A CA   1 
ATOM   304  C C    . VAL A 1 20  ? -27.018 -10.427 -10.677 1.00 59.79  ? 20  VAL A C    1 
ATOM   305  O O    . VAL A 1 20  ? -28.238 -10.565 -10.514 1.00 60.92  ? 20  VAL A O    1 
ATOM   306  C CB   . VAL A 1 20  ? -25.867 -10.369 -12.923 1.00 56.07  ? 20  VAL A CB   1 
ATOM   307  C CG1  . VAL A 1 20  ? -26.821 -11.436 -13.402 1.00 61.90  ? 20  VAL A CG1  1 
ATOM   308  C CG2  . VAL A 1 20  ? -25.500 -9.476  -14.102 1.00 55.57  ? 20  VAL A CG2  1 
ATOM   309  H H    . VAL A 1 20  ? -24.733 -8.621  -11.628 1.00 55.05  ? 20  VAL A H    1 
ATOM   310  H HA   . VAL A 1 20  ? -27.212 -9.032  -12.159 1.00 70.08  ? 20  VAL A HA   1 
ATOM   311  H HB   . VAL A 1 20  ? -25.068 -10.796 -12.576 1.00 67.38  ? 20  VAL A HB   1 
ATOM   312  H HG11 . VAL A 1 20  ? -26.466 -11.838 -14.210 1.00 74.37  ? 20  VAL A HG11 1 
ATOM   313  H HG12 . VAL A 1 20  ? -26.914 -12.110 -12.710 1.00 74.37  ? 20  VAL A HG12 1 
ATOM   314  H HG13 . VAL A 1 20  ? -27.683 -11.030 -13.585 1.00 74.37  ? 20  VAL A HG13 1 
ATOM   315  H HG21 . VAL A 1 20  ? -25.105 -10.022 -14.800 1.00 66.77  ? 20  VAL A HG21 1 
ATOM   316  H HG22 . VAL A 1 20  ? -26.302 -9.044  -14.433 1.00 66.77  ? 20  VAL A HG22 1 
ATOM   317  H HG23 . VAL A 1 20  ? -24.863 -8.807  -13.805 1.00 66.77  ? 20  VAL A HG23 1 
ATOM   318  N N    . LEU A 1 21  ? -26.127 -10.990 -9.863  1.00 57.83  ? 21  LEU A N    1 
ATOM   319  C CA   . LEU A 1 21  ? -26.577 -11.890 -8.789  1.00 60.67  ? 21  LEU A CA   1 
ATOM   320  C C    . LEU A 1 21  ? -27.341 -11.141 -7.702  1.00 59.23  ? 21  LEU A C    1 
ATOM   321  O O    . LEU A 1 21  ? -28.146 -11.742 -6.984  1.00 59.61  ? 21  LEU A O    1 
ATOM   322  C CB   . LEU A 1 21  ? -25.417 -12.659 -8.154  1.00 52.28  ? 21  LEU A CB   1 
ATOM   323  C CG   . LEU A 1 21  ? -24.756 -13.586 -9.150  1.00 59.35  ? 21  LEU A CG   1 
ATOM   324  C CD1  . LEU A 1 21  ? -23.565 -14.338 -8.571  1.00 67.31  ? 21  LEU A CD1  1 
ATOM   325  C CD2  . LEU A 1 21  ? -25.668 -14.657 -9.744  1.00 64.19  ? 21  LEU A CD2  1 
ATOM   326  H H    . LEU A 1 21  ? -25.276 -10.875 -9.905  1.00 69.48  ? 21  LEU A H    1 
ATOM   327  H HA   . LEU A 1 21  ? -27.164 -12.543 -9.201  1.00 72.90  ? 21  LEU A HA   1 
ATOM   328  H HB2  . LEU A 1 21  ? -24.753 -12.029 -7.833  1.00 62.83  ? 21  LEU A HB2  1 
ATOM   329  H HB3  . LEU A 1 21  ? -25.753 -13.191 -7.416  1.00 62.83  ? 21  LEU A HB3  1 
ATOM   330  H HG   . LEU A 1 21  ? -24.482 -12.972 -9.849  1.00 71.32  ? 21  LEU A HG   1 
ATOM   331  H HD11 . LEU A 1 21  ? -23.209 -14.934 -9.248  1.00 80.86  ? 21  LEU A HD11 1 
ATOM   332  H HD12 . LEU A 1 21  ? -22.887 -13.698 -8.303  1.00 80.86  ? 21  LEU A HD12 1 
ATOM   333  H HD13 . LEU A 1 21  ? -23.860 -14.850 -7.802  1.00 80.86  ? 21  LEU A HD13 1 
ATOM   334  H HD21 . LEU A 1 21  ? -25.125 -15.313 -10.208 1.00 77.13  ? 21  LEU A HD21 1 
ATOM   335  H HD22 . LEU A 1 21  ? -26.162 -15.085 -9.026  1.00 77.13  ? 21  LEU A HD22 1 
ATOM   336  H HD23 . LEU A 1 21  ? -26.284 -14.239 -10.366 1.00 77.13  ? 21  LEU A HD23 1 
ATOM   337  N N    . LYS A 1 22  ? -27.080 -9.846  -7.543  1.00 64.41  ? 22  LYS A N    1 
ATOM   338  C CA   . LYS A 1 22  ? -27.915 -9.015  -6.678  1.00 65.54  ? 22  LYS A CA   1 
ATOM   339  C C    . LYS A 1 22  ? -29.345 -8.999  -7.180  1.00 65.77  ? 22  LYS A C    1 
ATOM   340  O O    . LYS A 1 22  ? -30.286 -8.948  -6.376  1.00 68.36  ? 22  LYS A O    1 
ATOM   341  C CB   . LYS A 1 22  ? -27.340 -7.590  -6.628  1.00 71.53  ? 22  LYS A CB   1 
ATOM   342  C CG   . LYS A 1 22  ? -28.009 -6.575  -5.724  1.00 74.59  ? 22  LYS A CG   1 
ATOM   343  C CD   . LYS A 1 22  ? -27.394 -5.181  -5.977  1.00 74.89  ? 22  LYS A CD   1 
ATOM   344  C CE   . LYS A 1 22  ? -26.183 -4.842  -5.110  1.00 76.68  ? 22  LYS A CE   1 
ATOM   345  N NZ   . LYS A 1 22  ? -25.758 -3.413  -5.289  1.00 76.16  ? 22  LYS A NZ   1 
ATOM   346  H H    . LYS A 1 22  ? -26.432 -9.426  -7.920  1.00 77.39  ? 22  LYS A H    1 
ATOM   347  H HA   . LYS A 1 22  ? -27.913 -9.367  -5.775  1.00 78.74  ? 22  LYS A HA   1 
ATOM   348  H HB2  . LYS A 1 22  ? -26.418 -7.656  -6.333  1.00 85.93  ? 22  LYS A HB2  1 
ATOM   349  H HB3  . LYS A 1 22  ? -27.377 -7.227  -7.526  1.00 85.93  ? 22  LYS A HB3  1 
ATOM   350  H HG2  . LYS A 1 22  ? -28.959 -6.538  -5.917  1.00 89.60  ? 22  LYS A HG2  1 
ATOM   351  H HG3  . LYS A 1 22  ? -27.868 -6.817  -4.796  1.00 89.60  ? 22  LYS A HG3  1 
ATOM   352  H HD2  . LYS A 1 22  ? -27.109 -5.134  -6.904  1.00 89.95  ? 22  LYS A HD2  1 
ATOM   353  H HD3  . LYS A 1 22  ? -28.072 -4.509  -5.804  1.00 89.95  ? 22  LYS A HD3  1 
ATOM   354  H HE2  . LYS A 1 22  ? -26.409 -4.978  -4.177  1.00 92.11  ? 22  LYS A HE2  1 
ATOM   355  H HE3  . LYS A 1 22  ? -25.440 -5.414  -5.359  1.00 92.11  ? 22  LYS A HE3  1 
ATOM   356  H HZ1  . LYS A 1 22  ? -25.077 -3.227  -4.747  1.00 91.48  ? 22  LYS A HZ1  1 
ATOM   357  H HZ2  . LYS A 1 22  ? -25.503 -3.274  -6.130  1.00 91.48  ? 22  LYS A HZ2  1 
ATOM   358  H HZ3  . LYS A 1 22  ? -26.435 -2.868  -5.099  1.00 91.48  ? 22  LYS A HZ3  1 
ATOM   359  N N    . GLN A 1 23  ? -29.536 -9.064  -8.501  1.00 72.32  ? 23  GLN A N    1 
ATOM   360  C CA   . GLN A 1 23  ? -30.909 -9.167  -9.001  1.00 74.30  ? 23  GLN A CA   1 
ATOM   361  C C    . GLN A 1 23  ? -31.557 -10.523 -8.746  1.00 74.78  ? 23  GLN A C    1 
ATOM   362  O O    . GLN A 1 23  ? -32.789 -10.618 -8.784  1.00 79.93  ? 23  GLN A O    1 
ATOM   363  C CB   . GLN A 1 23  ? -30.961 -8.872  -10.494 1.00 78.36  ? 23  GLN A CB   1 
ATOM   364  C CG   . GLN A 1 23  ? -30.897 -7.414  -10.798 1.00 81.14  ? 23  GLN A CG   1 
ATOM   365  C CD   . GLN A 1 23  ? -30.627 -7.138  -12.249 1.00 83.81  ? 23  GLN A CD   1 
ATOM   366  O OE1  . GLN A 1 23  ? -30.118 -6.066  -12.596 1.00 81.02  ? 23  GLN A OE1  1 
ATOM   367  N NE2  . GLN A 1 23  ? -30.974 -8.088  -13.117 1.00 80.91  ? 23  GLN A NE2  1 
ATOM   368  H H    . GLN A 1 23  ? -28.918 -9.051  -9.099  1.00 86.88  ? 23  GLN A H    1 
ATOM   369  H HA   . GLN A 1 23  ? -31.429 -8.496  -8.531  1.00 89.25  ? 23  GLN A HA   1 
ATOM   370  H HB2  . GLN A 1 23  ? -30.208 -9.302  -10.927 1.00 94.13  ? 23  GLN A HB2  1 
ATOM   371  H HB3  . GLN A 1 23  ? -31.793 -9.217  -10.855 1.00 94.13  ? 23  GLN A HB3  1 
ATOM   372  H HG2  . GLN A 1 23  ? -31.746 -7.005  -10.568 1.00 97.47  ? 23  GLN A HG2  1 
ATOM   373  H HG3  . GLN A 1 23  ? -30.183 -7.013  -10.278 1.00 97.47  ? 23  GLN A HG3  1 
ATOM   374  H HE21 . GLN A 1 23  ? -31.335 -8.816  -12.836 1.00 97.19  ? 23  GLN A HE21 1 
ATOM   375  H HE22 . GLN A 1 23  ? -30.838 -7.972  -13.958 1.00 97.19  ? 23  GLN A HE22 1 
ATOM   376  N N    . GLY A 1 24  ? -30.793 -11.579 -8.524  1.00 75.23  ? 24  GLY A N    1 
ATOM   377  C CA   . GLY A 1 24  ? -31.396 -12.883 -8.291  1.00 68.12  ? 24  GLY A CA   1 
ATOM   378  C C    . GLY A 1 24  ? -30.496 -14.058 -8.612  1.00 65.63  ? 24  GLY A C    1 
ATOM   379  O O    . GLY A 1 24  ? -29.622 -13.948 -9.472  1.00 62.34  ? 24  GLY A O    1 
ATOM   380  H H    . GLY A 1 24  ? -29.934 -11.570 -8.502  1.00 90.36  ? 24  GLY A H    1 
ATOM   381  H HA2  . GLY A 1 24  ? -31.648 -12.948 -7.357  1.00 81.84  ? 24  GLY A HA2  1 
ATOM   382  H HA3  . GLY A 1 24  ? -32.193 -12.961 -8.839  1.00 81.84  ? 24  GLY A HA3  1 
ATOM   383  N N    . ASP A 1 25  ? -30.707 -15.188 -7.935  1.00 66.41  ? 25  ASP A N    1 
ATOM   384  C CA   . ASP A 1 25  ? -30.049 -16.429 -8.336  1.00 63.24  ? 25  ASP A CA   1 
ATOM   385  C C    . ASP A 1 25  ? -30.133 -16.572 -9.852  1.00 61.21  ? 25  ASP A C    1 
ATOM   386  O O    . ASP A 1 25  ? -31.148 -16.235 -10.472 1.00 63.44  ? 25  ASP A O    1 
ATOM   387  C CB   . ASP A 1 25  ? -30.714 -17.654 -7.656  1.00 66.38  ? 25  ASP A CB   1 
ATOM   388  C CG   . ASP A 1 25  ? -30.558 -17.654 -6.150  1.00 67.20  ? 25  ASP A CG   1 
ATOM   389  O OD1  . ASP A 1 25  ? -30.056 -16.618 -5.625  1.00 64.31  ? 25  ASP A OD1  1 
ATOM   390  O OD2  . ASP A 1 25  ? -30.921 -18.691 -5.524  1.00 64.88  ? 25  ASP A OD2  1 
ATOM   391  H H    . ASP A 1 25  ? -31.221 -15.260 -7.249  1.00 79.79  ? 25  ASP A H    1 
ATOM   392  H HA   . ASP A 1 25  ? -29.120 -16.412 -8.058  1.00 75.98  ? 25  ASP A HA   1 
ATOM   393  H HB2  . ASP A 1 25  ? -31.663 -17.649 -7.857  1.00 79.74  ? 25  ASP A HB2  1 
ATOM   394  H HB3  . ASP A 1 25  ? -30.307 -18.465 -7.998  1.00 79.74  ? 25  ASP A HB3  1 
ATOM   395  N N    . ASN A 1 26  ? -29.077 -17.101 -10.456 1.00 61.65  ? 26  ASN A N    1 
ATOM   396  C CA   . ASN A 1 26  ? -28.981 -17.155 -11.908 1.00 60.24  ? 26  ASN A CA   1 
ATOM   397  C C    . ASN A 1 26  ? -27.915 -18.199 -12.254 1.00 58.87  ? 26  ASN A C    1 
ATOM   398  O O    . ASN A 1 26  ? -27.032 -18.501 -11.447 1.00 63.44  ? 26  ASN A O    1 
ATOM   399  C CB   . ASN A 1 26  ? -28.603 -15.785 -12.501 1.00 57.30  ? 26  ASN A CB   1 
ATOM   400  C CG   . ASN A 1 26  ? -29.294 -15.503 -13.820 1.00 51.90  ? 26  ASN A CG   1 
ATOM   401  O OD1  . ASN A 1 26  ? -29.705 -16.404 -14.519 1.00 50.77  ? 26  ASN A OD1  1 
ATOM   402  N ND2  . ASN A 1 26  ? -29.344 -14.229 -14.201 1.00 54.12  ? 26  ASN A ND2  1 
ATOM   403  H H    . ASN A 1 26  ? -28.401 -17.437 -10.045 1.00 74.07  ? 26  ASN A H    1 
ATOM   404  H HA   . ASN A 1 26  ? -29.832 -17.422 -12.291 1.00 72.38  ? 26  ASN A HA   1 
ATOM   405  H HB2  . ASN A 1 26  ? -28.858 -15.089 -11.875 1.00 68.86  ? 26  ASN A HB2  1 
ATOM   406  H HB3  . ASN A 1 26  ? -27.645 -15.760 -12.653 1.00 68.86  ? 26  ASN A HB3  1 
ATOM   407  H HD21 . ASN A 1 26  ? -29.725 -14.017 -14.942 1.00 65.04  ? 26  ASN A HD21 1 
ATOM   408  H HD22 . ASN A 1 26  ? -28.995 -13.619 -13.706 1.00 65.04  ? 26  ASN A HD22 1 
ATOM   409  N N    . TYR A 1 27  ? -27.944 -18.639 -13.492 1.00 58.09  ? 27  TYR A N    1 
ATOM   410  C CA   . TYR A 1 27  ? -27.026 -19.629 -14.052 1.00 60.47  ? 27  TYR A CA   1 
ATOM   411  C C    . TYR A 1 27  ? -26.173 -18.975 -15.129 1.00 56.18  ? 27  TYR A C    1 
ATOM   412  O O    . TYR A 1 27  ? -26.471 -17.890 -15.641 1.00 56.55  ? 27  TYR A O    1 
ATOM   413  C CB   . TYR A 1 27  ? -27.793 -20.852 -14.586 1.00 54.23  ? 27  TYR A CB   1 
ATOM   414  C CG   . TYR A 1 27  ? -28.803 -20.490 -15.657 1.00 57.65  ? 27  TYR A CG   1 
ATOM   415  C CD1  . TYR A 1 27  ? -29.966 -19.857 -15.312 1.00 61.78  ? 27  TYR A CD1  1 
ATOM   416  C CD2  . TYR A 1 27  ? -28.589 -20.759 -16.998 1.00 58.21  ? 27  TYR A CD2  1 
ATOM   417  C CE1  . TYR A 1 27  ? -30.901 -19.520 -16.239 1.00 65.62  ? 27  TYR A CE1  1 
ATOM   418  C CE2  . TYR A 1 27  ? -29.490 -20.397 -17.937 1.00 59.28  ? 27  TYR A CE2  1 
ATOM   419  C CZ   . TYR A 1 27  ? -30.674 -19.796 -17.551 1.00 70.49  ? 27  TYR A CZ   1 
ATOM   420  O OH   . TYR A 1 27  ? -31.639 -19.451 -18.478 1.00 72.46  ? 27  TYR A OH   1 
ATOM   421  H H    . TYR A 1 27  ? -28.520 -18.367 -14.071 1.00 69.80  ? 27  TYR A H    1 
ATOM   422  H HA   . TYR A 1 27  ? -26.428 -19.957 -13.362 1.00 72.66  ? 27  TYR A HA   1 
ATOM   423  H HB2  . TYR A 1 27  ? -27.160 -21.479 -14.970 1.00 65.16  ? 27  TYR A HB2  1 
ATOM   424  H HB3  . TYR A 1 27  ? -28.271 -21.270 -13.853 1.00 65.16  ? 27  TYR A HB3  1 
ATOM   425  H HD1  . TYR A 1 27  ? -30.121 -19.652 -14.418 1.00 74.22  ? 27  TYR A HD1  1 
ATOM   426  H HD2  . TYR A 1 27  ? -27.811 -21.197 -17.257 1.00 69.94  ? 27  TYR A HD2  1 
ATOM   427  H HE1  . TYR A 1 27  ? -31.691 -19.105 -15.977 1.00 78.84  ? 27  TYR A HE1  1 
ATOM   428  H HE2  . TYR A 1 27  ? -29.315 -20.551 -18.837 1.00 71.23  ? 27  TYR A HE2  1 
ATOM   429  H HH   . TYR A 1 27  ? -31.333 -19.538 -19.256 1.00 87.05  ? 27  TYR A HH   1 
ATOM   430  N N    . VAL A 1 28  ? -25.104 -19.662 -15.493 1.00 56.45  ? 28  VAL A N    1 
ATOM   431  C CA   . VAL A 1 28  ? -24.074 -19.021 -16.308 1.00 57.14  ? 28  VAL A CA   1 
ATOM   432  C C    . VAL A 1 28  ? -24.661 -18.438 -17.598 1.00 50.88  ? 28  VAL A C    1 
ATOM   433  O O    . VAL A 1 28  ? -24.376 -17.301 -17.982 1.00 50.92  ? 28  VAL A O    1 
ATOM   434  C CB   . VAL A 1 28  ? -22.971 -20.045 -16.598 1.00 64.88  ? 28  VAL A CB   1 
ATOM   435  C CG1  . VAL A 1 28  ? -22.155 -19.605 -17.752 1.00 71.39  ? 28  VAL A CG1  1 
ATOM   436  C CG2  . VAL A 1 28  ? -22.098 -20.169 -15.350 1.00 76.18  ? 28  VAL A CG2  1 
ATOM   437  H H    . VAL A 1 28  ? -24.949 -20.483 -15.290 1.00 67.83  ? 28  VAL A H    1 
ATOM   438  H HA   . VAL A 1 28  ? -23.699 -18.274 -15.815 1.00 68.66  ? 28  VAL A HA   1 
ATOM   439  H HB   . VAL A 1 28  ? -23.358 -20.907 -16.818 1.00 77.95  ? 28  VAL A HB   1 
ATOM   440  H HG11 . VAL A 1 28  ? -21.305 -20.071 -17.734 1.00 85.76  ? 28  VAL A HG11 1 
ATOM   441  H HG12 . VAL A 1 28  ? -22.629 -19.813 -18.572 1.00 85.76  ? 28  VAL A HG12 1 
ATOM   442  H HG13 . VAL A 1 28  ? -22.009 -18.648 -17.689 1.00 85.76  ? 28  VAL A HG13 1 
ATOM   443  H HG21 . VAL A 1 28  ? -21.645 -21.027 -15.366 1.00 91.51  ? 28  VAL A HG21 1 
ATOM   444  H HG22 . VAL A 1 28  ? -21.445 -19.451 -15.349 1.00 91.51  ? 28  VAL A HG22 1 
ATOM   445  H HG23 . VAL A 1 28  ? -22.660 -20.106 -14.563 1.00 91.51  ? 28  VAL A HG23 1 
ATOM   446  N N    . TYR A 1 29  ? -25.451 -19.200 -18.304 1.00 56.82  ? 29  TYR A N    1 
ATOM   447  C CA   . TYR A 1 29  ? -25.988 -18.683 -19.560 1.00 57.24  ? 29  TYR A CA   1 
ATOM   448  C C    . TYR A 1 29  ? -26.965 -17.529 -19.353 1.00 52.73  ? 29  TYR A C    1 
ATOM   449  O O    . TYR A 1 29  ? -26.914 -16.538 -20.094 1.00 52.11  ? 29  TYR A O    1 
ATOM   450  C CB   . TYR A 1 29  ? -26.585 -19.826 -20.330 1.00 56.78  ? 29  TYR A CB   1 
ATOM   451  C CG   . TYR A 1 29  ? -25.421 -20.718 -20.682 1.00 64.88  ? 29  TYR A CG   1 
ATOM   452  C CD1  . TYR A 1 29  ? -24.468 -20.302 -21.612 1.00 67.40  ? 29  TYR A CD1  1 
ATOM   453  C CD2  . TYR A 1 29  ? -25.218 -21.925 -20.029 1.00 69.32  ? 29  TYR A CD2  1 
ATOM   454  C CE1  . TYR A 1 29  ? -23.397 -21.080 -21.944 1.00 71.09  ? 29  TYR A CE1  1 
ATOM   455  C CE2  . TYR A 1 29  ? -24.123 -22.734 -20.357 1.00 73.04  ? 29  TYR A CE2  1 
ATOM   456  C CZ   . TYR A 1 29  ? -23.204 -22.285 -21.313 1.00 70.60  ? 29  TYR A CZ   1 
ATOM   457  O OH   . TYR A 1 29  ? -22.110 -23.061 -21.654 1.00 67.29  ? 29  TYR A OH   1 
ATOM   458  H H    . TYR A 1 29  ? -25.692 -19.999 -18.097 1.00 68.27  ? 29  TYR A H    1 
ATOM   459  H HA   . TYR A 1 29  ? -25.271 -18.305 -20.093 1.00 68.78  ? 29  TYR A HA   1 
ATOM   460  H HB2  . TYR A 1 29  ? -27.223 -20.313 -19.784 1.00 68.22  ? 29  TYR A HB2  1 
ATOM   461  H HB3  . TYR A 1 29  ? -27.016 -19.509 -21.139 1.00 68.22  ? 29  TYR A HB3  1 
ATOM   462  H HD1  . TYR A 1 29  ? -24.566 -19.471 -22.018 1.00 80.97  ? 29  TYR A HD1  1 
ATOM   463  H HD2  . TYR A 1 29  ? -25.814 -22.199 -19.369 1.00 83.27  ? 29  TYR A HD2  1 
ATOM   464  H HE1  . TYR A 1 29  ? -22.798 -20.795 -22.597 1.00 85.40  ? 29  TYR A HE1  1 
ATOM   465  H HE2  . TYR A 1 29  ? -24.007 -23.560 -19.945 1.00 87.73  ? 29  TYR A HE2  1 
ATOM   466  H HH   . TYR A 1 29  ? -21.793 -22.802 -22.388 1.00 80.84  ? 29  TYR A HH   1 
ATOM   467  N N    . GLY A 1 30  ? -27.795 -17.595 -18.311 1.00 51.41  ? 30  GLY A N    1 
ATOM   468  C CA   . GLY A 1 30  ? -28.647 -16.465 -18.023 1.00 50.63  ? 30  GLY A CA   1 
ATOM   469  C C    . GLY A 1 30  ? -27.827 -15.227 -17.775 1.00 49.99  ? 30  GLY A C    1 
ATOM   470  O O    . GLY A 1 30  ? -28.120 -14.152 -18.298 1.00 48.95  ? 30  GLY A O    1 
ATOM   471  H H    . GLY A 1 30  ? -27.875 -18.265 -17.778 1.00 61.79  ? 30  GLY A H    1 
ATOM   472  H HA2  . GLY A 1 30  ? -29.240 -16.303 -18.773 1.00 60.85  ? 30  GLY A HA2  1 
ATOM   473  H HA3  . GLY A 1 30  ? -29.180 -16.651 -17.233 1.00 60.85  ? 30  GLY A HA3  1 
ATOM   474  N N    . ILE A 1 31  ? -26.771 -15.364 -16.987 1.00 51.90  ? 31  ILE A N    1 
ATOM   475  C CA   . ILE A 1 31  ? -25.916 -14.223 -16.667 1.00 47.12  ? 31  ILE A CA   1 
ATOM   476  C C    . ILE A 1 31  ? -25.301 -13.645 -17.934 1.00 48.79  ? 31  ILE A C    1 
ATOM   477  O O    . ILE A 1 31  ? -25.202 -12.413 -18.100 1.00 49.79  ? 31  ILE A O    1 
ATOM   478  C CB   . ILE A 1 31  ? -24.831 -14.642 -15.659 1.00 51.42  ? 31  ILE A CB   1 
ATOM   479  C CG1  . ILE A 1 31  ? -25.496 -15.011 -14.350 1.00 50.33  ? 31  ILE A CG1  1 
ATOM   480  C CG2  . ILE A 1 31  ? -23.819 -13.502 -15.502 1.00 51.86  ? 31  ILE A CG2  1 
ATOM   481  C CD1  . ILE A 1 31  ? -24.690 -15.854 -13.482 1.00 58.23  ? 31  ILE A CD1  1 
ATOM   482  H H    . ILE A 1 31  ? -26.524 -16.103 -16.624 1.00 62.38  ? 31  ILE A H    1 
ATOM   483  H HA   . ILE A 1 31  ? -26.463 -13.532 -16.260 1.00 56.63  ? 31  ILE A HA   1 
ATOM   484  H HB   . ILE A 1 31  ? -24.346 -15.420 -15.976 1.00 61.80  ? 31  ILE A HB   1 
ATOM   485  H HG12 . ILE A 1 31  ? -25.695 -14.196 -13.864 1.00 60.48  ? 31  ILE A HG12 1 
ATOM   486  H HG13 . ILE A 1 31  ? -26.316 -15.491 -14.545 1.00 60.48  ? 31  ILE A HG13 1 
ATOM   487  H HG21 . ILE A 1 31  ? -23.295 -13.653 -14.701 1.00 62.32  ? 31  ILE A HG21 1 
ATOM   488  H HG22 . ILE A 1 31  ? -23.239 -13.486 -16.279 1.00 62.32  ? 31  ILE A HG22 1 
ATOM   489  H HG23 . ILE A 1 31  ? -24.299 -12.662 -15.430 1.00 62.32  ? 31  ILE A HG23 1 
ATOM   490  H HD11 . ILE A 1 31  ? -25.237 -16.157 -12.740 1.00 69.97  ? 31  ILE A HD11 1 
ATOM   491  H HD12 . ILE A 1 31  ? -24.370 -16.616 -13.990 1.00 69.97  ? 31  ILE A HD12 1 
ATOM   492  H HD13 . ILE A 1 31  ? -23.939 -15.338 -13.149 1.00 69.97  ? 31  ILE A HD13 1 
ATOM   493  N N    . ILE A 1 32  ? -24.745 -14.518 -18.780 1.00 47.89  ? 32  ILE A N    1 
ATOM   494  C CA   . ILE A 1 32  ? -24.055 -14.047 -19.991 1.00 50.83  ? 32  ILE A CA   1 
ATOM   495  C C    . ILE A 1 32  ? -25.044 -13.292 -20.866 1.00 51.28  ? 32  ILE A C    1 
ATOM   496  O O    . ILE A 1 32  ? -24.757 -12.251 -21.473 1.00 41.90  ? 32  ILE A O    1 
ATOM   497  C CB   . ILE A 1 32  ? -23.434 -15.245 -20.749 1.00 55.06  ? 32  ILE A CB   1 
ATOM   498  C CG1  . ILE A 1 32  ? -22.233 -15.807 -19.962 1.00 58.23  ? 32  ILE A CG1  1 
ATOM   499  C CG2  . ILE A 1 32  ? -23.125 -14.828 -22.166 1.00 46.05  ? 32  ILE A CG2  1 
ATOM   500  C CD1  . ILE A 1 32  ? -21.781 -17.130 -20.445 1.00 57.72  ? 32  ILE A CD1  1 
ATOM   501  H H    . ILE A 1 32  ? -24.752 -15.372 -18.681 1.00 57.56  ? 32  ILE A H    1 
ATOM   502  H HA   . ILE A 1 32  ? -23.334 -13.448 -19.740 1.00 61.09  ? 32  ILE A HA   1 
ATOM   503  H HB   . ILE A 1 32  ? -24.062 -15.982 -20.813 1.00 66.17  ? 32  ILE A HB   1 
ATOM   504  H HG12 . ILE A 1 32  ? -21.488 -15.190 -20.043 1.00 69.97  ? 32  ILE A HG12 1 
ATOM   505  H HG13 . ILE A 1 32  ? -22.485 -15.901 -19.030 1.00 69.97  ? 32  ILE A HG13 1 
ATOM   506  H HG21 . ILE A 1 32  ? -22.487 -15.452 -22.547 1.00 55.35  ? 32  ILE A HG21 1 
ATOM   507  H HG22 . ILE A 1 32  ? -23.945 -14.836 -22.684 1.00 55.35  ? 32  ILE A HG22 1 
ATOM   508  H HG23 . ILE A 1 32  ? -22.748 -13.934 -22.157 1.00 55.35  ? 32  ILE A HG23 1 
ATOM   509  H HD11 . ILE A 1 32  ? -21.166 -17.510 -19.797 1.00 69.36  ? 32  ILE A HD11 1 
ATOM   510  H HD12 . ILE A 1 32  ? -22.552 -17.709 -20.547 1.00 69.36  ? 32  ILE A HD12 1 
ATOM   511  H HD13 . ILE A 1 32  ? -21.335 -17.019 -21.299 1.00 69.36  ? 32  ILE A HD13 1 
ATOM   512  N N    . LYS A 1 33  ? -26.239 -13.809 -20.937 1.00 50.19  ? 33  LYS A N    1 
ATOM   513  C CA   . LYS A 1 33  ? -27.209 -13.120 -21.751 1.00 46.49  ? 33  LYS A CA   1 
ATOM   514  C C    . LYS A 1 33  ? -27.601 -11.772 -21.182 1.00 45.12  ? 33  LYS A C    1 
ATOM   515  O O    . LYS A 1 33  ? -27.756 -10.818 -21.951 1.00 42.30  ? 33  LYS A O    1 
ATOM   516  C CB   . LYS A 1 33  ? -28.409 -14.002 -21.933 1.00 50.97  ? 33  LYS A CB   1 
ATOM   517  C CG   . LYS A 1 33  ? -28.369 -14.598 -23.335 1.00 57.57  ? 33  LYS A CG   1 
ATOM   518  C CD   . LYS A 1 33  ? -29.605 -15.334 -23.756 1.00 63.68  ? 33  LYS A CD   1 
ATOM   519  C CE   . LYS A 1 33  ? -29.331 -15.841 -25.180 1.00 62.12  ? 33  LYS A CE   1 
ATOM   520  N NZ   . LYS A 1 33  ? -30.398 -16.677 -25.702 1.00 60.56  ? 33  LYS A NZ   1 
ATOM   521  H H    . LYS A 1 33  ? -26.508 -14.524 -20.543 1.00 60.32  ? 33  LYS A H    1 
ATOM   522  H HA   . LYS A 1 33  ? -26.814 -12.943 -22.619 1.00 55.89  ? 33  LYS A HA   1 
ATOM   523  H HB2  . LYS A 1 33  ? -28.394 -14.721 -21.282 1.00 61.26  ? 33  LYS A HB2  1 
ATOM   524  H HB3  . LYS A 1 33  ? -29.221 -13.480 -21.832 1.00 61.26  ? 33  LYS A HB3  1 
ATOM   525  H HG2  . LYS A 1 33  ? -28.233 -13.877 -23.971 1.00 69.18  ? 33  LYS A HG2  1 
ATOM   526  H HG3  . LYS A 1 33  ? -27.630 -15.224 -23.381 1.00 69.18  ? 33  LYS A HG3  1 
ATOM   527  H HD2  . LYS A 1 33  ? -29.772 -16.087 -23.167 1.00 76.50  ? 33  LYS A HD2  1 
ATOM   528  H HD3  . LYS A 1 33  ? -30.372 -14.741 -23.761 1.00 76.50  ? 33  LYS A HD3  1 
ATOM   529  H HE2  . LYS A 1 33  ? -29.233 -15.079 -25.772 1.00 74.63  ? 33  LYS A HE2  1 
ATOM   530  H HE3  . LYS A 1 33  ? -28.515 -16.365 -25.177 1.00 74.63  ? 33  LYS A HE3  1 
ATOM   531  H HZ1  . LYS A 1 33  ? -30.183 -16.974 -26.513 1.00 72.77  ? 33  LYS A HZ1  1 
ATOM   532  H HZ2  . LYS A 1 33  ? -30.528 -17.375 -25.165 1.00 72.77  ? 33  LYS A HZ2  1 
ATOM   533  H HZ3  . LYS A 1 33  ? -31.153 -16.209 -25.757 1.00 72.77  ? 33  LYS A HZ3  1 
ATOM   534  N N    . GLN A 1 34  ? -27.764 -11.675 -19.849 1.00 47.11  ? 34  GLN A N    1 
ATOM   535  C CA   . GLN A 1 34  ? -28.245 -10.428 -19.274 1.00 47.31  ? 34  GLN A CA   1 
ATOM   536  C C    . GLN A 1 34  ? -27.185 -9.362  -19.460 1.00 48.10  ? 34  GLN A C    1 
ATOM   537  O O    . GLN A 1 34  ? -27.516 -8.190  -19.674 1.00 46.12  ? 34  GLN A O    1 
ATOM   538  C CB   . GLN A 1 34  ? -28.560 -10.577 -17.790 1.00 49.15  ? 34  GLN A CB   1 
ATOM   539  C CG   . GLN A 1 34  ? -29.931 -11.180 -17.500 1.00 53.52  ? 34  GLN A CG   1 
ATOM   540  C CD   . GLN A 1 34  ? -30.282 -11.032 -16.010 1.00 56.27  ? 34  GLN A CD   1 
ATOM   541  O OE1  . GLN A 1 34  ? -29.677 -10.212 -15.298 1.00 63.71  ? 34  GLN A OE1  1 
ATOM   542  N NE2  . GLN A 1 34  ? -31.135 -11.903 -15.518 1.00 64.03  ? 34  GLN A NE2  1 
ATOM   543  H H    . GLN A 1 34  ? -27.605 -12.302 -19.282 1.00 56.62  ? 34  GLN A H    1 
ATOM   544  H HA   . GLN A 1 34  ? -29.072 -10.177 -19.715 1.00 56.87  ? 34  GLN A HA   1 
ATOM   545  H HB2  . GLN A 1 34  ? -27.893 -11.155 -17.388 1.00 59.08  ? 34  GLN A HB2  1 
ATOM   546  H HB3  . GLN A 1 34  ? -28.531 -9.699  -17.378 1.00 59.08  ? 34  GLN A HB3  1 
ATOM   547  H HG2  . GLN A 1 34  ? -30.605 -10.719 -18.023 1.00 64.31  ? 34  GLN A HG2  1 
ATOM   548  H HG3  . GLN A 1 34  ? -29.924 -12.123 -17.724 1.00 64.31  ? 34  GLN A HG3  1 
ATOM   549  H HE21 . GLN A 1 34  ? -31.467 -12.514 -16.024 1.00 76.93  ? 34  GLN A HE21 1 
ATOM   550  H HE22 . GLN A 1 34  ? -31.363 -11.861 -14.690 1.00 76.93  ? 34  GLN A HE22 1 
ATOM   551  N N    . VAL A 1 35  ? -25.905 -9.760  -19.343 1.00 45.38  ? 35  VAL A N    1 
ATOM   552  C CA   . VAL A 1 35  ? -24.785 -8.818  -19.522 1.00 48.92  ? 35  VAL A CA   1 
ATOM   553  C C    . VAL A 1 35  ? -24.646 -8.364  -20.985 1.00 42.97  ? 35  VAL A C    1 
ATOM   554  O O    . VAL A 1 35  ? -24.368 -7.191  -21.256 1.00 43.91  ? 35  VAL A O    1 
ATOM   555  C CB   . VAL A 1 35  ? -23.476 -9.459  -19.033 1.00 43.92  ? 35  VAL A CB   1 
ATOM   556  C CG1  . VAL A 1 35  ? -22.265 -8.581  -19.427 1.00 50.06  ? 35  VAL A CG1  1 
ATOM   557  C CG2  . VAL A 1 35  ? -23.453 -9.638  -17.504 1.00 41.78  ? 35  VAL A CG2  1 
ATOM   558  H H    . VAL A 1 35  ? -25.659 -10.564 -19.163 1.00 54.55  ? 35  VAL A H    1 
ATOM   559  H HA   . VAL A 1 35  ? -24.980 -8.032  -18.987 1.00 58.79  ? 35  VAL A HA   1 
ATOM   560  H HB   . VAL A 1 35  ? -23.416 -10.332 -19.452 1.00 52.79  ? 35  VAL A HB   1 
ATOM   561  H HG11 . VAL A 1 35  ? -21.483 -8.885  -18.941 1.00 60.17  ? 35  VAL A HG11 1 
ATOM   562  H HG12 . VAL A 1 35  ? -22.114 -8.662  -20.382 1.00 60.17  ? 35  VAL A HG12 1 
ATOM   563  H HG13 . VAL A 1 35  ? -22.457 -7.658  -19.200 1.00 60.17  ? 35  VAL A HG13 1 
ATOM   564  H HG21 . VAL A 1 35  ? -22.544 -9.822  -17.221 1.00 50.23  ? 35  VAL A HG21 1 
ATOM   565  H HG22 . VAL A 1 35  ? -23.771 -8.823  -17.086 1.00 50.23  ? 35  VAL A HG22 1 
ATOM   566  H HG23 . VAL A 1 35  ? -24.031 -10.380 -17.264 1.00 50.23  ? 35  VAL A HG23 1 
ATOM   567  N N    . LYS A 1 36  ? -24.797 -9.282  -21.948 1.00 37.78  ? 36  LYS A N    1 
ATOM   568  C CA   . LYS A 1 36  ? -24.799 -8.900  -23.365 1.00 44.30  ? 36  LYS A CA   1 
ATOM   569  C C    . LYS A 1 36  ? -25.920 -7.889  -23.656 1.00 45.70  ? 36  LYS A C    1 
ATOM   570  O O    . LYS A 1 36  ? -25.694 -6.835  -24.269 1.00 43.40  ? 36  LYS A O    1 
ATOM   571  C CB   . LYS A 1 36  ? -24.948 -10.180 -24.217 1.00 48.33  ? 36  LYS A CB   1 
ATOM   572  C CG   . LYS A 1 36  ? -24.961 -10.050 -25.778 1.00 55.85  ? 36  LYS A CG   1 
ATOM   573  C CD   . LYS A 1 36  ? -25.066 -11.418 -26.463 1.00 61.80  ? 36  LYS A CD   1 
ATOM   574  C CE   . LYS A 1 36  ? -25.302 -11.344 -28.004 1.00 72.14  ? 36  LYS A CE   1 
ATOM   575  N NZ   . LYS A 1 36  ? -25.259 -12.713 -28.707 1.00 84.91  ? 36  LYS A NZ   1 
ATOM   576  H H    . LYS A 1 36  ? -24.899 -10.125 -21.810 1.00 45.43  ? 36  LYS A H    1 
ATOM   577  H HA   . LYS A 1 36  ? -23.962 -8.471  -23.601 1.00 53.25  ? 36  LYS A HA   1 
ATOM   578  H HB2  . LYS A 1 36  ? -24.207 -10.765 -23.996 1.00 58.09  ? 36  LYS A HB2  1 
ATOM   579  H HB3  . LYS A 1 36  ? -25.787 -10.599 -23.969 1.00 58.09  ? 36  LYS A HB3  1 
ATOM   580  H HG2  . LYS A 1 36  ? -25.725 -9.516  -26.049 1.00 67.11  ? 36  LYS A HG2  1 
ATOM   581  H HG3  . LYS A 1 36  ? -24.140 -9.626  -26.071 1.00 67.11  ? 36  LYS A HG3  1 
ATOM   582  H HD2  . LYS A 1 36  ? -24.240 -11.905 -26.316 1.00 74.26  ? 36  LYS A HD2  1 
ATOM   583  H HD3  . LYS A 1 36  ? -25.811 -11.904 -26.076 1.00 74.26  ? 36  LYS A HD3  1 
ATOM   584  H HE2  . LYS A 1 36  ? -26.175 -10.956 -28.167 1.00 86.66  ? 36  LYS A HE2  1 
ATOM   585  H HE3  . LYS A 1 36  ? -24.612 -10.788 -28.398 1.00 86.66  ? 36  LYS A HE3  1 
ATOM   586  H HZ1  . LYS A 1 36  ? -25.321 -12.605 -29.588 1.00 101.99 ? 36  LYS A HZ1  1 
ATOM   587  H HZ2  . LYS A 1 36  ? -24.494 -13.128 -28.519 1.00 101.99 ? 36  LYS A HZ2  1 
ATOM   588  H HZ3  . LYS A 1 36  ? -25.937 -13.219 -28.430 1.00 101.99 ? 36  LYS A HZ3  1 
ATOM   589  N N    . GLU A 1 37  ? -27.129 -8.160  -23.163 1.00 46.52  ? 37  GLU A N    1 
ATOM   590  C CA   . GLU A 1 37  ? -28.219 -7.211  -23.387 1.00 45.75  ? 37  GLU A CA   1 
ATOM   591  C C    . GLU A 1 37  ? -27.922 -5.863  -22.747 1.00 46.28  ? 37  GLU A C    1 
ATOM   592  O O    . GLU A 1 37  ? -28.223 -4.819  -23.344 1.00 46.32  ? 37  GLU A O    1 
ATOM   593  C CB   . GLU A 1 37  ? -29.555 -7.763  -22.892 1.00 53.50  ? 37  GLU A CB   1 
ATOM   594  C CG   . GLU A 1 37  ? -30.277 -8.623  -23.886 1.00 62.99  ? 37  GLU A CG   1 
ATOM   595  C CD   . GLU A 1 37  ? -31.645 -9.078  -23.393 1.00 78.50  ? 37  GLU A CD   1 
ATOM   596  O OE1  . GLU A 1 37  ? -32.145 -8.444  -22.424 1.00 79.46  ? 37  GLU A OE1  1 
ATOM   597  O OE2  . GLU A 1 37  ? -32.228 -10.041 -23.982 1.00 89.01  ? 37  GLU A OE2  1 
ATOM   598  H H    . GLU A 1 37  ? -27.338 -8.862  -22.712 1.00 55.91  ? 37  GLU A H    1 
ATOM   599  H HA   . GLU A 1 37  ? -28.302 -7.082  -24.345 1.00 54.99  ? 37  GLU A HA   1 
ATOM   600  H HB2  . GLU A 1 37  ? -29.393 -8.301  -22.101 1.00 64.29  ? 37  GLU A HB2  1 
ATOM   601  H HB3  . GLU A 1 37  ? -30.135 -7.017  -22.673 1.00 64.29  ? 37  GLU A HB3  1 
ATOM   602  H HG2  . GLU A 1 37  ? -30.406 -8.119  -24.704 1.00 75.68  ? 37  GLU A HG2  1 
ATOM   603  H HG3  . GLU A 1 37  ? -29.744 -9.414  -24.064 1.00 75.68  ? 37  GLU A HG3  1 
ATOM   604  N N    . ALA A 1 38  ? -27.437 -5.862  -21.492 1.00 40.87  ? 38  ALA A N    1 
ATOM   605  C CA   . ALA A 1 38  ? -27.263 -4.610  -20.751 1.00 42.12  ? 38  ALA A CA   1 
ATOM   606  C C    . ALA A 1 38  ? -26.116 -3.786  -21.305 1.00 57.51  ? 38  ALA A C    1 
ATOM   607  O O    . ALA A 1 38  ? -26.006 -2.591  -20.992 1.00 56.49  ? 38  ALA A O    1 
ATOM   608  C CB   . ALA A 1 38  ? -27.026 -4.879  -19.260 1.00 50.97  ? 38  ALA A CB   1 
ATOM   609  H H    . ALA A 1 38  ? -27.206 -6.567  -21.056 1.00 49.13  ? 38  ALA A H    1 
ATOM   610  H HA   . ALA A 1 38  ? -28.083 -4.098  -20.825 1.00 50.64  ? 38  ALA A HA   1 
ATOM   611  H HB1  . ALA A 1 38  ? -26.848 -4.038  -18.812 1.00 61.25  ? 38  ALA A HB1  1 
ATOM   612  H HB2  . ALA A 1 38  ? -27.818 -5.294  -18.884 1.00 61.25  ? 38  ALA A HB2  1 
ATOM   613  H HB3  . ALA A 1 38  ? -26.265 -5.473  -19.163 1.00 61.25  ? 38  ALA A HB3  1 
ATOM   614  N N    . SER A 1 39  ? -25.198 -4.429  -22.036 1.00 51.98  ? 39  SER A N    1 
ATOM   615  C CA   . SER A 1 39  ? -24.111 -3.755  -22.722 1.00 47.79  ? 39  SER A CA   1 
ATOM   616  C C    . SER A 1 39  ? -24.328 -3.637  -24.223 1.00 47.78  ? 39  SER A C    1 
ATOM   617  O O    . SER A 1 39  ? -23.394 -3.296  -24.952 1.00 46.18  ? 39  SER A O    1 
ATOM   618  C CB   . SER A 1 39  ? -22.812 -4.504  -22.482 1.00 48.62  ? 39  SER A CB   1 
ATOM   619  O OG   . SER A 1 39  ? -22.793 -5.747  -23.183 1.00 38.97  ? 39  SER A OG   1 
ATOM   620  H H    . SER A 1 39  ? -25.191 -5.281  -22.148 1.00 62.47  ? 39  SER A H    1 
ATOM   621  H HA   . SER A 1 39  ? -24.041 -2.859  -22.356 1.00 57.44  ? 39  SER A HA   1 
ATOM   622  H HB2  . SER A 1 39  ? -22.072 -3.957  -22.791 1.00 58.44  ? 39  SER A HB2  1 
ATOM   623  H HB3  . SER A 1 39  ? -22.721 -4.678  -21.532 1.00 58.44  ? 39  SER A HB3  1 
ATOM   624  H HG   . SER A 1 39  ? -23.443 -6.221  -22.944 1.00 46.85  ? 39  SER A HG   1 
ATOM   625  N N    . ASN A 1 40  ? -25.512 -3.979  -24.729 1.00 51.37  ? 40  ASN A N    1 
ATOM   626  C CA   . ASN A 1 40  ? -25.770 -3.961  -26.174 1.00 59.81  ? 40  ASN A CA   1 
ATOM   627  C C    . ASN A 1 40  ? -24.737 -4.703  -27.026 1.00 54.78  ? 40  ASN A C    1 
ATOM   628  O O    . ASN A 1 40  ? -24.251 -4.195  -28.049 1.00 57.72  ? 40  ASN A O    1 
ATOM   629  C CB   . ASN A 1 40  ? -25.850 -2.533  -26.650 1.00 60.20  ? 40  ASN A CB   1 
ATOM   630  C CG   . ASN A 1 40  ? -27.033 -1.831  -26.132 1.00 65.47  ? 40  ASN A CG   1 
ATOM   631  O OD1  . ASN A 1 40  ? -28.177 -2.139  -26.508 1.00 65.01  ? 40  ASN A OD1  1 
ATOM   632  N ND2  . ASN A 1 40  ? -26.798 -0.918  -25.193 1.00 65.85  ? 40  ASN A ND2  1 
ATOM   633  H H    . ASN A 1 40  ? -26.187 -4.227  -24.256 1.00 61.73  ? 40  ASN A H    1 
ATOM   634  H HA   . ASN A 1 40  ? -26.607 -4.435  -26.299 1.00 71.86  ? 40  ASN A HA   1 
ATOM   635  H HB2  . ASN A 1 40  ? -25.061 -2.055  -26.351 1.00 72.33  ? 40  ASN A HB2  1 
ATOM   636  H HB3  . ASN A 1 40  ? -25.896 -2.524  -27.619 1.00 72.33  ? 40  ASN A HB3  1 
ATOM   637  H HD21 . ASN A 1 40  ? -27.451 -0.474  -24.852 1.00 79.12  ? 40  ASN A HD21 1 
ATOM   638  H HD22 . ASN A 1 40  ? -25.994 -0.771  -24.928 1.00 79.12  ? 40  ASN A HD22 1 
ATOM   639  N N    . GLY A 1 41  ? -24.372 -5.897  -26.580 1.00 47.98  ? 41  GLY A N    1 
ATOM   640  C CA   . GLY A 1 41  ? -23.514 -6.735  -27.367 1.00 52.55  ? 41  GLY A CA   1 
ATOM   641  C C    . GLY A 1 41  ? -22.059 -6.412  -27.207 1.00 51.41  ? 41  GLY A C    1 
ATOM   642  O O    . GLY A 1 41  ? -21.216 -7.100  -27.770 1.00 52.51  ? 41  GLY A O    1 
ATOM   643  H H    . GLY A 1 41  ? -24.613 -6.234  -25.826 1.00 57.67  ? 41  GLY A H    1 
ATOM   644  H HA2  . GLY A 1 41  ? -23.650 -7.659  -27.107 1.00 63.15  ? 41  GLY A HA2  1 
ATOM   645  H HA3  . GLY A 1 41  ? -23.745 -6.633  -28.304 1.00 63.15  ? 41  GLY A HA3  1 
ATOM   646  N N    . GLU A 1 42  ? -21.750 -5.390  -26.444 1.00 50.07  ? 42  GLU A N    1 
ATOM   647  C CA   . GLU A 1 42  ? -20.393 -4.946  -26.311 1.00 47.86  ? 42  GLU A CA   1 
ATOM   648  C C    . GLU A 1 42  ? -19.629 -5.772  -25.306 1.00 55.40  ? 42  GLU A C    1 
ATOM   649  O O    . GLU A 1 42  ? -18.403 -5.662  -25.244 1.00 52.42  ? 42  GLU A O    1 
ATOM   650  C CB   . GLU A 1 42  ? -20.362 -3.487  -25.894 1.00 50.12  ? 42  GLU A CB   1 
ATOM   651  C CG   . GLU A 1 42  ? -20.765 -2.519  -26.999 1.00 48.31  ? 42  GLU A CG   1 
ATOM   652  C CD   . GLU A 1 42  ? -20.156 -1.160  -26.801 1.00 54.88  ? 42  GLU A CD   1 
ATOM   653  O OE1  . GLU A 1 42  ? -19.572 -0.928  -25.709 1.00 54.22  ? 42  GLU A OE1  1 
ATOM   654  O OE2  . GLU A 1 42  ? -20.215 -0.349  -27.752 1.00 52.77  ? 42  GLU A OE2  1 
ATOM   655  H H    . GLU A 1 42  ? -22.318 -4.932  -25.989 1.00 60.18  ? 42  GLU A H    1 
ATOM   656  H HA   . GLU A 1 42  ? -19.947 -5.019  -27.170 1.00 57.52  ? 42  GLU A HA   1 
ATOM   657  H HB2  . GLU A 1 42  ? -20.976 -3.363  -25.154 1.00 60.24  ? 42  GLU A HB2  1 
ATOM   658  H HB3  . GLU A 1 42  ? -19.460 -3.262  -25.618 1.00 60.24  ? 42  GLU A HB3  1 
ATOM   659  H HG2  . GLU A 1 42  ? -20.464 -2.866  -27.854 1.00 58.07  ? 42  GLU A HG2  1 
ATOM   660  H HG3  . GLU A 1 42  ? -21.730 -2.421  -27.003 1.00 58.07  ? 42  GLU A HG3  1 
ATOM   661  N N    . MET A 1 43  ? -20.325 -6.551  -24.478 1.00 48.80  ? 43  MET A N    1 
ATOM   662  C CA   . MET A 1 43  ? -19.665 -7.423  -23.512 1.00 53.01  ? 43  MET A CA   1 
ATOM   663  C C    . MET A 1 43  ? -20.366 -8.782  -23.563 1.00 53.96  ? 43  MET A C    1 
ATOM   664  O O    . MET A 1 43  ? -21.455 -8.921  -22.979 1.00 52.41  ? 43  MET A O    1 
ATOM   665  C CB   . MET A 1 43  ? -19.709 -6.786  -22.131 1.00 42.57  ? 43  MET A CB   1 
ATOM   666  C CG   . MET A 1 43  ? -19.030 -7.544  -21.043 1.00 48.95  ? 43  MET A CG   1 
ATOM   667  S SD   . MET A 1 43  ? -19.139 -6.642  -19.484 1.00 56.13  ? 43  MET A SD   1 
ATOM   668  C CE   . MET A 1 43  ? -18.293 -7.759  -18.356 1.00 60.55  ? 43  MET A CE   1 
ATOM   669  H H    . MET A 1 43  ? -21.184 -6.590  -24.459 1.00 58.66  ? 43  MET A H    1 
ATOM   670  H HA   . MET A 1 43  ? -18.734 -7.560  -23.749 1.00 63.71  ? 43  MET A HA   1 
ATOM   671  H HB2  . MET A 1 43  ? -19.282 -5.916  -22.184 1.00 51.18  ? 43  MET A HB2  1 
ATOM   672  H HB3  . MET A 1 43  ? -20.638 -6.684  -21.872 1.00 51.18  ? 43  MET A HB3  1 
ATOM   673  H HG2  . MET A 1 43  ? -19.458 -8.407  -20.932 1.00 58.83  ? 43  MET A HG2  1 
ATOM   674  H HG3  . MET A 1 43  ? -18.093 -7.664  -21.266 1.00 58.83  ? 43  MET A HG3  1 
ATOM   675  H HE1  . MET A 1 43  ? -18.490 -7.495  -17.443 1.00 72.75  ? 43  MET A HE1  1 
ATOM   676  H HE2  . MET A 1 43  ? -18.607 -8.664  -18.513 1.00 72.75  ? 43  MET A HE2  1 
ATOM   677  H HE3  . MET A 1 43  ? -17.338 -7.707  -18.517 1.00 72.75  ? 43  MET A HE3  1 
ATOM   678  N N    . GLU A 1 44  ? -19.807 -9.719  -24.349 1.00 55.75  ? 44  GLU A N    1 
ATOM   679  C CA   . GLU A 1 44  ? -20.288 -11.105 -24.430 1.00 56.13  ? 44  GLU A CA   1 
ATOM   680  C C    . GLU A 1 44  ? -19.250 -11.988 -23.761 1.00 59.16  ? 44  GLU A C    1 
ATOM   681  O O    . GLU A 1 44  ? -18.171 -12.210 -24.319 1.00 62.43  ? 44  GLU A O    1 
ATOM   682  C CB   . GLU A 1 44  ? -20.505 -11.587 -25.865 1.00 59.08  ? 44  GLU A CB   1 
ATOM   683  C CG   . GLU A 1 44  ? -21.545 -10.750 -26.607 1.00 65.46  ? 44  GLU A CG   1 
ATOM   684  C CD   . GLU A 1 44  ? -21.619 -10.990 -28.120 1.00 72.28  ? 44  GLU A CD   1 
ATOM   685  O OE1  . GLU A 1 44  ? -21.221 -12.097 -28.597 1.00 78.06  ? 44  GLU A OE1  1 
ATOM   686  O OE2  . GLU A 1 44  ? -22.059 -10.001 -28.804 1.00 70.66  ? 44  GLU A OE2  1 
ATOM   687  H H    . GLU A 1 44  ? -19.130 -9.568  -24.857 1.00 66.99  ? 44  GLU A H    1 
ATOM   688  H HA   . GLU A 1 44  ? -21.139 -11.150 -23.967 1.00 67.45  ? 44  GLU A HA   1 
ATOM   689  H HB2  . GLU A 1 44  ? -19.667 -11.527 -26.350 1.00 70.99  ? 44  GLU A HB2  1 
ATOM   690  H HB3  . GLU A 1 44  ? -20.814 -12.506 -25.848 1.00 70.99  ? 44  GLU A HB3  1 
ATOM   691  H HG2  . GLU A 1 44  ? -22.419 -10.951 -26.239 1.00 78.65  ? 44  GLU A HG2  1 
ATOM   692  H HG3  . GLU A 1 44  ? -21.336 -9.813  -26.472 1.00 78.65  ? 44  GLU A HG3  1 
ATOM   693  N N    . LEU A 1 45  ? -19.543 -12.447 -22.555 1.00 66.69  ? 45  LEU A N    1 
ATOM   694  C CA   . LEU A 1 45  ? -18.585 -13.224 -21.796 1.00 64.58  ? 45  LEU A CA   1 
ATOM   695  C C    . LEU A 1 45  ? -18.587 -14.691 -22.236 1.00 77.85  ? 45  LEU A C    1 
ATOM   696  O O    . LEU A 1 45  ? -19.610 -15.242 -22.687 1.00 63.38  ? 45  LEU A O    1 
ATOM   697  C CB   . LEU A 1 45  ? -18.890 -13.131 -20.301 1.00 55.63  ? 45  LEU A CB   1 
ATOM   698  C CG   . LEU A 1 45  ? -18.829 -11.780 -19.596 1.00 61.59  ? 45  LEU A CG   1 
ATOM   699  C CD1  . LEU A 1 45  ? -19.503 -11.801 -18.289 1.00 59.98  ? 45  LEU A CD1  1 
ATOM   700  C CD2  . LEU A 1 45  ? -17.359 -11.389 -19.423 1.00 67.26  ? 45  LEU A CD2  1 
ATOM   701  H H    . LEU A 1 45  ? -20.294 -12.320 -22.155 1.00 80.12  ? 45  LEU A H    1 
ATOM   702  H HA   . LEU A 1 45  ? -17.695 -12.872 -21.954 1.00 77.58  ? 45  LEU A HA   1 
ATOM   703  H HB2  . LEU A 1 45  ? -19.792 -13.463 -20.171 1.00 66.85  ? 45  LEU A HB2  1 
ATOM   704  H HB3  . LEU A 1 45  ? -18.256 -13.704 -19.843 1.00 66.85  ? 45  LEU A HB3  1 
ATOM   705  H HG   . LEU A 1 45  ? -19.294 -11.120 -20.134 1.00 74.00  ? 45  LEU A HG   1 
ATOM   706  H HD11 . LEU A 1 45  ? -19.607 -10.891 -17.972 1.00 72.07  ? 45  LEU A HD11 1 
ATOM   707  H HD12 . LEU A 1 45  ? -20.373 -12.218 -18.389 1.00 72.07  ? 45  LEU A HD12 1 
ATOM   708  H HD13 . LEU A 1 45  ? -18.962 -12.309 -17.663 1.00 72.07  ? 45  LEU A HD13 1 
ATOM   709  H HD21 . LEU A 1 45  ? -17.311 -10.485 -19.075 1.00 80.80  ? 45  LEU A HD21 1 
ATOM   710  H HD22 . LEU A 1 45  ? -16.939 -12.005 -18.802 1.00 80.80  ? 45  LEU A HD22 1 
ATOM   711  H HD23 . LEU A 1 45  ? -16.916 -11.436 -20.285 1.00 80.80  ? 45  LEU A HD23 1 
ATOM   712  N N    . ASN A 1 46  ? -17.393 -15.292 -22.142 1.00 72.69  ? 46  ASN A N    1 
ATOM   713  C CA   . ASN A 1 46  ? -17.170 -16.717 -22.361 1.00 64.86  ? 46  ASN A CA   1 
ATOM   714  C C    . ASN A 1 46  ? -17.477 -17.485 -21.088 1.00 66.85  ? 46  ASN A C    1 
ATOM   715  O O    . ASN A 1 46  ? -17.270 -16.995 -19.974 1.00 64.49  ? 46  ASN A O    1 
ATOM   716  C CB   . ASN A 1 46  ? -15.727 -16.992 -22.782 1.00 70.62  ? 46  ASN A CB   1 
ATOM   717  C CG   . ASN A 1 46  ? -15.530 -18.401 -23.311 1.00 75.99  ? 46  ASN A CG   1 
ATOM   718  O OD1  . ASN A 1 46  ? -15.147 -19.310 -22.579 1.00 83.13  ? 46  ASN A OD1  1 
ATOM   719  N ND2  . ASN A 1 46  ? -15.807 -18.587 -24.588 1.00 85.81  ? 46  ASN A ND2  1 
ATOM   720  H H    . ASN A 1 46  ? -16.668 -14.874 -21.944 1.00 87.32  ? 46  ASN A H    1 
ATOM   721  H HA   . ASN A 1 46  ? -17.749 -17.028 -23.074 1.00 77.92  ? 46  ASN A HA   1 
ATOM   722  H HB2  . ASN A 1 46  ? -15.479 -16.370 -23.484 1.00 84.84  ? 46  ASN A HB2  1 
ATOM   723  H HB3  . ASN A 1 46  ? -15.146 -16.875 -22.014 1.00 84.84  ? 46  ASN A HB3  1 
ATOM   724  H HD21 . ASN A 1 46  ? -15.713 -19.367 -24.939 1.00 103.07 ? 46  ASN A HD21 1 
ATOM   725  H HD22 . ASN A 1 46  ? -16.083 -17.930 -25.069 1.00 103.07 ? 46  ASN A HD22 1 
ATOM   726  N N    . GLU A 1 47  ? -17.921 -18.723 -21.256 1.00 71.71  ? 47  GLU A N    1 
ATOM   727  C CA   . GLU A 1 47  ? -18.295 -19.519 -20.095 1.00 70.98  ? 47  GLU A CA   1 
ATOM   728  C C    . GLU A 1 47  ? -17.123 -19.707 -19.136 1.00 75.60  ? 47  GLU A C    1 
ATOM   729  O O    . GLU A 1 47  ? -17.295 -19.683 -17.907 1.00 76.80  ? 47  GLU A O    1 
ATOM   730  C CB   . GLU A 1 47  ? -18.775 -20.895 -20.547 1.00 74.53  ? 47  GLU A CB   1 
ATOM   731  C CG   . GLU A 1 47  ? -19.955 -20.886 -21.457 1.00 77.98  ? 47  GLU A CG   1 
ATOM   732  C CD   . GLU A 1 47  ? -19.571 -21.362 -22.862 1.00 79.36  ? 47  GLU A CD   1 
ATOM   733  O OE1  . GLU A 1 47  ? -18.581 -20.840 -23.451 1.00 84.63  ? 47  GLU A OE1  1 
ATOM   734  O OE2  . GLU A 1 47  ? -20.264 -22.282 -23.359 1.00 73.16  ? 47  GLU A OE2  1 
ATOM   735  H H    . GLU A 1 47  ? -18.015 -19.119 -22.014 1.00 86.15  ? 47  GLU A H    1 
ATOM   736  H HA   . GLU A 1 47  ? -19.010 -19.055 -19.632 1.00 85.27  ? 47  GLU A HA   1 
ATOM   737  H HB2  . GLU A 1 47  ? -18.049 -21.333 -21.018 1.00 89.53  ? 47  GLU A HB2  1 
ATOM   738  H HB3  . GLU A 1 47  ? -19.018 -21.408 -19.761 1.00 89.53  ? 47  GLU A HB3  1 
ATOM   739  H HG2  . GLU A 1 47  ? -20.637 -21.480 -21.107 1.00 93.67  ? 47  GLU A HG2  1 
ATOM   740  H HG3  . GLU A 1 47  ? -20.304 -19.983 -21.523 1.00 93.67  ? 47  GLU A HG3  1 
ATOM   741  N N    . ALA A 1 48  ? -15.930 -19.911 -19.688 1.00 69.26  ? 48  ALA A N    1 
ATOM   742  C CA   . ALA A 1 48  ? -14.756 -20.222 -18.883 1.00 79.91  ? 48  ALA A CA   1 
ATOM   743  C C    . ALA A 1 48  ? -14.375 -19.060 -17.963 1.00 80.67  ? 48  ALA A C    1 
ATOM   744  O O    . ALA A 1 48  ? -13.955 -19.277 -16.810 1.00 83.39  ? 48  ALA A O    1 
ATOM   745  C CB   . ALA A 1 48  ? -13.611 -20.594 -19.818 1.00 69.63  ? 48  ALA A CB   1 
ATOM   746  H H    . ALA A 1 48  ? -15.772 -19.874 -20.533 1.00 83.21  ? 48  ALA A H    1 
ATOM   747  H HA   . ALA A 1 48  ? -14.944 -20.980 -18.307 1.00 95.99  ? 48  ALA A HA   1 
ATOM   748  H HB1  . ALA A 1 48  ? -12.816 -20.768 -19.291 1.00 83.65  ? 48  ALA A HB1  1 
ATOM   749  H HB2  . ALA A 1 48  ? -13.857 -21.387 -20.319 1.00 83.65  ? 48  ALA A HB2  1 
ATOM   750  H HB3  . ALA A 1 48  ? -13.449 -19.856 -20.427 1.00 83.65  ? 48  ALA A HB3  1 
ATOM   751  N N    . THR A 1 49  ? -14.475 -17.823 -18.476 1.00 91.86  ? 49  THR A N    1 
ATOM   752  C CA   . THR A 1 49  ? -14.307 -16.645 -17.636 1.00 85.08  ? 49  THR A CA   1 
ATOM   753  C C    . THR A 1 49  ? -15.211 -16.747 -16.421 1.00 85.51  ? 49  THR A C    1 
ATOM   754  O O    . THR A 1 49  ? -14.757 -16.616 -15.278 1.00 77.29  ? 49  THR A O    1 
ATOM   755  C CB   . THR A 1 49  ? -14.618 -15.391 -18.453 1.00 87.16  ? 49  THR A CB   1 
ATOM   756  O OG1  . THR A 1 49  ? -13.792 -15.365 -19.625 1.00 73.77  ? 49  THR A OG1  1 
ATOM   757  C CG2  . THR A 1 49  ? -14.364 -14.155 -17.641 1.00 91.57  ? 49  THR A CG2  1 
ATOM   758  H H    . THR A 1 49  ? -14.638 -17.648 -19.302 1.00 110.33 ? 49  THR A H    1 
ATOM   759  H HA   . THR A 1 49  ? -13.388 -16.577 -17.331 1.00 102.19 ? 49  THR A HA   1 
ATOM   760  H HB   . THR A 1 49  ? -15.552 -15.398 -18.714 1.00 104.68 ? 49  THR A HB   1 
ATOM   761  H HG1  . THR A 1 49  ? -14.091 -14.805 -20.175 1.00 88.62  ? 49  THR A HG1  1 
ATOM   762  H HG21 . THR A 1 49  ? -14.341 -13.376 -18.219 1.00 109.98 ? 49  THR A HG21 1 
ATOM   763  H HG22 . THR A 1 49  ? -15.068 -14.039 -16.984 1.00 109.98 ? 49  THR A HG22 1 
ATOM   764  H HG23 . THR A 1 49  ? -13.514 -14.230 -17.180 1.00 109.98 ? 49  THR A HG23 1 
ATOM   765  N N    . LEU A 1 50  ? -16.503 -17.000 -16.661 1.00 83.02  ? 50  LEU A N    1 
ATOM   766  C CA   . LEU A 1 50  ? -17.465 -17.095 -15.571 1.00 76.99  ? 50  LEU A CA   1 
ATOM   767  C C    . LEU A 1 50  ? -17.096 -18.192 -14.593 1.00 76.53  ? 50  LEU A C    1 
ATOM   768  O O    . LEU A 1 50  ? -17.272 -18.040 -13.382 1.00 74.61  ? 50  LEU A O    1 
ATOM   769  C CB   . LEU A 1 50  ? -18.868 -17.344 -16.123 1.00 67.88  ? 50  LEU A CB   1 
ATOM   770  C CG   . LEU A 1 50  ? -19.749 -16.116 -16.221 1.00 66.92  ? 50  LEU A CG   1 
ATOM   771  C CD1  . LEU A 1 50  ? -19.296 -15.246 -17.378 1.00 66.68  ? 50  LEU A CD1  1 
ATOM   772  C CD2  . LEU A 1 50  ? -21.206 -16.440 -16.404 1.00 63.01  ? 50  LEU A CD2  1 
ATOM   773  H H    . LEU A 1 50  ? -16.842 -17.120 -17.442 1.00 99.71  ? 50  LEU A H    1 
ATOM   774  H HA   . LEU A 1 50  ? -17.466 -16.249 -15.095 1.00 92.48  ? 50  LEU A HA   1 
ATOM   775  H HB2  . LEU A 1 50  ? -18.784 -17.714 -17.016 1.00 81.55  ? 50  LEU A HB2  1 
ATOM   776  H HB3  . LEU A 1 50  ? -19.317 -17.979 -15.543 1.00 81.55  ? 50  LEU A HB3  1 
ATOM   777  H HG   . LEU A 1 50  ? -19.663 -15.642 -15.379 1.00 80.40  ? 50  LEU A HG   1 
ATOM   778  H HD11 . LEU A 1 50  ? -19.865 -14.462 -17.425 1.00 80.11  ? 50  LEU A HD11 1 
ATOM   779  H HD12 . LEU A 1 50  ? -18.376 -14.978 -17.231 1.00 80.11  ? 50  LEU A HD12 1 
ATOM   780  H HD13 . LEU A 1 50  ? -19.365 -15.754 -18.201 1.00 80.11  ? 50  LEU A HD13 1 
ATOM   781  H HD21 . LEU A 1 50  ? -21.732 -15.647 -16.214 1.00 75.70  ? 50  LEU A HD21 1 
ATOM   782  H HD22 . LEU A 1 50  ? -21.355 -16.723 -17.320 1.00 75.70  ? 50  LEU A HD22 1 
ATOM   783  H HD23 . LEU A 1 50  ? -21.450 -17.153 -15.794 1.00 75.70  ? 50  LEU A HD23 1 
ATOM   784  N N    . TYR A 1 51  ? -16.614 -19.323 -15.087 1.00 73.29  ? 51  TYR A N    1 
ATOM   785  C CA   . TYR A 1 51  ? -16.340 -20.392 -14.141 1.00 77.66  ? 51  TYR A CA   1 
ATOM   786  C C    . TYR A 1 51  ? -15.151 -20.046 -13.263 1.00 77.53  ? 51  TYR A C    1 
ATOM   787  O O    . TYR A 1 51  ? -15.194 -20.233 -12.051 1.00 77.61  ? 51  TYR A O    1 
ATOM   788  C CB   . TYR A 1 51  ? -16.053 -21.707 -14.830 1.00 85.64  ? 51  TYR A CB   1 
ATOM   789  C CG   . TYR A 1 51  ? -16.062 -22.848 -13.824 1.00 98.94  ? 51  TYR A CG   1 
ATOM   790  C CD1  . TYR A 1 51  ? -17.207 -23.087 -13.038 1.00 106.03 ? 51  TYR A CD1  1 
ATOM   791  C CD2  . TYR A 1 51  ? -14.943 -23.674 -13.640 1.00 96.98  ? 51  TYR A CD2  1 
ATOM   792  C CE1  . TYR A 1 51  ? -17.263 -24.132 -12.126 1.00 113.31 ? 51  TYR A CE1  1 
ATOM   793  C CE2  . TYR A 1 51  ? -14.984 -24.729 -12.714 1.00 98.72  ? 51  TYR A CE2  1 
ATOM   794  C CZ   . TYR A 1 51  ? -16.153 -24.951 -11.956 1.00 108.10 ? 51  TYR A CZ   1 
ATOM   795  O OH   . TYR A 1 51  ? -16.241 -25.977 -11.026 1.00 104.28 ? 51  TYR A OH   1 
ATOM   796  H H    . TYR A 1 51  ? -16.446 -19.487 -15.915 1.00 88.05  ? 51  TYR A H    1 
ATOM   797  H HA   . TYR A 1 51  ? -17.142 -20.500 -13.606 1.00 93.28  ? 51  TYR A HA   1 
ATOM   798  H HB2  . TYR A 1 51  ? -16.734 -21.879 -15.499 1.00 102.86 ? 51  TYR A HB2  1 
ATOM   799  H HB3  . TYR A 1 51  ? -15.178 -21.670 -15.248 1.00 102.86 ? 51  TYR A HB3  1 
ATOM   800  H HD1  . TYR A 1 51  ? -17.945 -22.530 -13.133 1.00 127.33 ? 51  TYR A HD1  1 
ATOM   801  H HD2  . TYR A 1 51  ? -14.170 -23.522 -14.134 1.00 116.46 ? 51  TYR A HD2  1 
ATOM   802  H HE1  . TYR A 1 51  ? -18.037 -24.283 -11.633 1.00 136.07 ? 51  TYR A HE1  1 
ATOM   803  H HE2  . TYR A 1 51  ? -14.243 -25.279 -12.601 1.00 118.55 ? 51  TYR A HE2  1 
ATOM   804  H HH   . TYR A 1 51  ? -15.499 -26.363 -10.953 1.00 125.23 ? 51  TYR A HH   1 
ATOM   805  N N    . THR A 1 52  ? -14.060 -19.561 -13.856 1.00 85.50  ? 52  THR A N    1 
ATOM   806  C CA   . THR A 1 52  ? -12.948 -19.117 -13.024 1.00 88.52  ? 52  THR A CA   1 
ATOM   807  C C    . THR A 1 52  ? -13.405 -18.060 -12.016 1.00 87.98  ? 52  THR A C    1 
ATOM   808  O O    . THR A 1 52  ? -13.016 -18.104 -10.839 1.00 78.75  ? 52  THR A O    1 
ATOM   809  C CB   . THR A 1 52  ? -11.802 -18.605 -13.883 1.00 85.47  ? 52  THR A CB   1 
ATOM   810  O OG1  . THR A 1 52  ? -11.322 -19.676 -14.701 1.00 78.76  ? 52  THR A OG1  1 
ATOM   811  C CG2  . THR A 1 52  ? -10.687 -18.145 -13.001 1.00 86.74  ? 52  THR A CG2  1 
ATOM   812  H H    . THR A 1 52  ? -13.945 -19.481 -14.705 1.00 102.70 ? 52  THR A H    1 
ATOM   813  H HA   . THR A 1 52  ? -12.608 -19.877 -12.526 1.00 106.32 ? 52  THR A HA   1 
ATOM   814  H HB   . THR A 1 52  ? -12.099 -17.868 -14.440 1.00 102.66 ? 52  THR A HB   1 
ATOM   815  H HG1  . THR A 1 52  ? -11.155 -20.348 -14.224 1.00 94.60  ? 52  THR A HG1  1 
ATOM   816  H HG21 . THR A 1 52  ? -9.902  -17.947 -13.534 1.00 104.18 ? 52  THR A HG21 1 
ATOM   817  H HG22 . THR A 1 52  ? -10.952 -17.344 -12.522 1.00 104.18 ? 52  THR A HG22 1 
ATOM   818  H HG23 . THR A 1 52  ? -10.466 -18.837 -12.359 1.00 104.18 ? 52  THR A HG23 1 
ATOM   819  N N    . ILE A 1 53  ? -14.236 -17.096 -12.451 1.00 84.70  ? 53  ILE A N    1 
ATOM   820  C CA   . ILE A 1 53  ? -14.688 -16.054 -11.533 1.00 75.94  ? 53  ILE A CA   1 
ATOM   821  C C    . ILE A 1 53  ? -15.514 -16.669 -10.430 1.00 75.85  ? 53  ILE A C    1 
ATOM   822  O O    . ILE A 1 53  ? -15.320 -16.380 -9.250  1.00 71.51  ? 53  ILE A O    1 
ATOM   823  C CB   . ILE A 1 53  ? -15.485 -14.971 -12.279 1.00 77.33  ? 53  ILE A CB   1 
ATOM   824  C CG1  . ILE A 1 53  ? -14.555 -14.230 -13.215 1.00 63.52  ? 53  ILE A CG1  1 
ATOM   825  C CG2  . ILE A 1 53  ? -16.159 -13.995 -11.293 1.00 80.32  ? 53  ILE A CG2  1 
ATOM   826  C CD1  . ILE A 1 53  ? -15.197 -13.767 -14.432 1.00 77.43  ? 53  ILE A CD1  1 
ATOM   827  H H    . ILE A 1 53  ? -14.540 -17.030 -13.252 1.00 101.73 ? 53  ILE A H    1 
ATOM   828  H HA   . ILE A 1 53  ? -13.907 -15.631 -11.143 1.00 91.22  ? 53  ILE A HA   1 
ATOM   829  H HB   . ILE A 1 53  ? -16.188 -15.398 -12.792 1.00 92.88  ? 53  ILE A HB   1 
ATOM   830  H HG12 . ILE A 1 53  ? -14.202 -13.453 -12.754 1.00 76.32  ? 53  ILE A HG12 1 
ATOM   831  H HG13 . ILE A 1 53  ? -13.831 -14.822 -13.470 1.00 76.32  ? 53  ILE A HG13 1 
ATOM   832  H HG21 . ILE A 1 53  ? -16.264 -13.133 -11.724 1.00 96.47  ? 53  ILE A HG21 1 
ATOM   833  H HG22 . ILE A 1 53  ? -17.027 -14.349 -11.043 1.00 96.47  ? 53  ILE A HG22 1 
ATOM   834  H HG23 . ILE A 1 53  ? -15.599 -13.905 -10.506 1.00 96.47  ? 53  ILE A HG23 1 
ATOM   835  H HD11 . ILE A 1 53  ? -14.520 -13.421 -15.035 1.00 93.01  ? 53  ILE A HD11 1 
ATOM   836  H HD12 . ILE A 1 53  ? -15.660 -14.511 -14.848 1.00 93.01  ? 53  ILE A HD12 1 
ATOM   837  H HD13 . ILE A 1 53  ? -15.830 -13.066 -14.209 1.00 93.01  ? 53  ILE A HD13 1 
ATOM   838  N N    . PHE A 1 54  ? -16.447 -17.524 -10.805 1.00 72.67  ? 54  PHE A N    1 
ATOM   839  C CA   . PHE A 1 54  ? -17.343 -18.129 -9.849  1.00 79.51  ? 54  PHE A CA   1 
ATOM   840  C C    . PHE A 1 54  ? -16.586 -18.987 -8.879  1.00 81.39  ? 54  PHE A C    1 
ATOM   841  O O    . PHE A 1 54  ? -16.930 -19.040 -7.699  1.00 75.29  ? 54  PHE A O    1 
ATOM   842  C CB   . PHE A 1 54  ? -18.341 -18.954 -10.637 1.00 74.88  ? 54  PHE A CB   1 
ATOM   843  C CG   . PHE A 1 54  ? -19.401 -18.125 -11.325 1.00 70.49  ? 54  PHE A CG   1 
ATOM   844  C CD1  . PHE A 1 54  ? -19.694 -16.841 -10.903 1.00 69.25  ? 54  PHE A CD1  1 
ATOM   845  C CD2  . PHE A 1 54  ? -20.054 -18.615 -12.426 1.00 67.57  ? 54  PHE A CD2  1 
ATOM   846  C CE1  . PHE A 1 54  ? -20.629 -16.099 -11.529 1.00 61.91  ? 54  PHE A CE1  1 
ATOM   847  C CE2  . PHE A 1 54  ? -20.989 -17.869 -13.052 1.00 64.10  ? 54  PHE A CE2  1 
ATOM   848  C CZ   . PHE A 1 54  ? -21.274 -16.607 -12.606 1.00 60.30  ? 54  PHE A CZ   1 
ATOM   849  H H    . PHE A 1 54  ? -16.582 -17.773 -11.617 1.00 87.29  ? 54  PHE A H    1 
ATOM   850  H HA   . PHE A 1 54  ? -17.815 -17.459 -9.330  1.00 95.51  ? 54  PHE A HA   1 
ATOM   851  H HB2  . PHE A 1 54  ? -17.865 -19.453 -11.320 1.00 89.95  ? 54  PHE A HB2  1 
ATOM   852  H HB3  . PHE A 1 54  ? -18.789 -19.565 -10.031 1.00 89.95  ? 54  PHE A HB3  1 
ATOM   853  H HD1  . PHE A 1 54  ? -19.239 -16.484 -10.175 1.00 83.19  ? 54  PHE A HD1  1 
ATOM   854  H HD2  . PHE A 1 54  ? -19.852 -19.466 -12.743 1.00 81.17  ? 54  PHE A HD2  1 
ATOM   855  H HE1  . PHE A 1 54  ? -20.830 -15.244 -11.224 1.00 74.38  ? 54  PHE A HE1  1 
ATOM   856  H HE2  . PHE A 1 54  ? -21.440 -18.213 -13.789 1.00 77.02  ? 54  PHE A HE2  1 
ATOM   857  H HZ   . PHE A 1 54  ? -21.914 -16.096 -13.044 1.00 72.45  ? 54  PHE A HZ   1 
ATOM   858  N N    . LYS A 1 55  ? -15.522 -19.621 -9.357  1.00 78.34  ? 55  LYS A N    1 
ATOM   859  C CA   . LYS A 1 55  ? -14.632 -20.415 -8.516  1.00 76.81  ? 55  LYS A CA   1 
ATOM   860  C C    . LYS A 1 55  ? -14.000 -19.545 -7.430  1.00 69.34  ? 55  LYS A C    1 
ATOM   861  O O    . LYS A 1 55  ? -14.143 -19.808 -6.229  1.00 62.71  ? 55  LYS A O    1 
ATOM   862  C CB   . LYS A 1 55  ? -13.551 -21.050 -9.408  1.00 79.24  ? 55  LYS A CB   1 
ATOM   863  C CG   . LYS A 1 55  ? -13.942 -22.261 -10.289 1.00 92.07  ? 55  LYS A CG   1 
ATOM   864  C CD   . LYS A 1 55  ? -12.746 -23.036 -11.016 1.00 98.19  ? 55  LYS A CD   1 
ATOM   865  C CE   . LYS A 1 55  ? -12.237 -22.309 -12.302 1.00 91.46  ? 55  LYS A CE   1 
ATOM   866  N NZ   . LYS A 1 55  ? -11.265 -23.074 -13.149 1.00 103.31 ? 55  LYS A NZ   1 
ATOM   867  H H    . LYS A 1 55  ? -15.286 -19.608 -10.184 1.00 94.10  ? 55  LYS A H    1 
ATOM   868  H HA   . LYS A 1 55  ? -15.132 -21.122 -8.079  1.00 92.26  ? 55  LYS A HA   1 
ATOM   869  H HB2  . LYS A 1 55  ? -13.226 -20.363 -10.011 1.00 95.18  ? 55  LYS A HB2  1 
ATOM   870  H HB3  . LYS A 1 55  ? -12.832 -21.350 -8.829  1.00 95.18  ? 55  LYS A HB3  1 
ATOM   871  H HG2  . LYS A 1 55  ? -14.398 -22.908 -9.728  1.00 110.57 ? 55  LYS A HG2  1 
ATOM   872  H HG3  . LYS A 1 55  ? -14.540 -21.947 -10.985 1.00 110.57 ? 55  LYS A HG3  1 
ATOM   873  H HD2  . LYS A 1 55  ? -11.999 -23.112 -10.401 1.00 117.92 ? 55  LYS A HD2  1 
ATOM   874  H HD3  . LYS A 1 55  ? -13.053 -23.919 -11.275 1.00 117.92 ? 55  LYS A HD3  1 
ATOM   875  H HE2  . LYS A 1 55  ? -13.004 -22.106 -12.859 1.00 109.85 ? 55  LYS A HE2  1 
ATOM   876  H HE3  . LYS A 1 55  ? -11.796 -21.488 -12.032 1.00 109.85 ? 55  LYS A HE3  1 
ATOM   877  H HZ1  . LYS A 1 55  ? -10.867 -22.525 -13.725 1.00 124.06 ? 55  LYS A HZ1  1 
ATOM   878  H HZ2  . LYS A 1 55  ? -10.645 -23.453 -12.634 1.00 124.06 ? 55  LYS A HZ2  1 
ATOM   879  H HZ3  . LYS A 1 55  ? -11.692 -23.710 -13.603 1.00 124.06 ? 55  LYS A HZ3  1 
ATOM   880  N N    . ARG A 1 56  ? -13.350 -18.452 -7.838  1.00 76.29  ? 56  ARG A N    1 
ATOM   881  C CA   . ARG A 1 56  ? -12.736 -17.567 -6.849  1.00 75.75  ? 56  ARG A CA   1 
ATOM   882  C C    . ARG A 1 56  ? -13.771 -17.026 -5.866  1.00 74.06  ? 56  ARG A C    1 
ATOM   883  O O    . ARG A 1 56  ? -13.519 -16.953 -4.653  1.00 71.55  ? 56  ARG A O    1 
ATOM   884  C CB   . ARG A 1 56  ? -12.027 -16.412 -7.554  1.00 80.90  ? 56  ARG A CB   1 
ATOM   885  C CG   . ARG A 1 56  ? -10.684 -16.729 -8.263  1.00 78.19  ? 56  ARG A CG   1 
ATOM   886  C CD   . ARG A 1 56  ? -10.249 -15.398 -8.971  1.00 87.12  ? 56  ARG A CD   1 
ATOM   887  N NE   . ARG A 1 56  ? -9.994  -14.313 -8.024  1.00 85.54  ? 56  ARG A NE   1 
ATOM   888  C CZ   . ARG A 1 56  ? -10.045 -13.022 -8.329  1.00 84.25  ? 56  ARG A CZ   1 
ATOM   889  N NH1  . ARG A 1 56  ? -10.347 -12.610 -9.547  1.00 87.46  ? 56  ARG A NH1  1 
ATOM   890  N NH2  . ARG A 1 56  ? -9.805  -12.120 -7.388  1.00 78.14  ? 56  ARG A NH2  1 
ATOM   891  H H    . ARG A 1 56  ? -13.253 -18.208 -8.657  1.00 91.64  ? 56  ARG A H    1 
ATOM   892  H HA   . ARG A 1 56  ? -12.077 -18.072 -6.347  1.00 91.00  ? 56  ARG A HA   1 
ATOM   893  H HB2  . ARG A 1 56  ? -12.627 -16.063 -8.231  1.00 97.17  ? 56  ARG A HB2  1 
ATOM   894  H HB3  . ARG A 1 56  ? -11.841 -15.728 -6.892  1.00 97.17  ? 56  ARG A HB3  1 
ATOM   895  H HG2  . ARG A 1 56  ? -10.009 -16.992 -7.617  1.00 93.92  ? 56  ARG A HG2  1 
ATOM   896  H HG3  . ARG A 1 56  ? -10.802 -17.429 -8.924  1.00 93.92  ? 56  ARG A HG3  1 
ATOM   897  H HD2  . ARG A 1 56  ? -9.434  -15.557 -9.472  1.00 104.64 ? 56  ARG A HD2  1 
ATOM   898  H HD3  . ARG A 1 56  ? -10.956 -15.113 -9.571  1.00 104.64 ? 56  ARG A HD3  1 
ATOM   899  H HE   . ARG A 1 56  ? -9.798  -14.526 -7.214  1.00 102.74 ? 56  ARG A HE   1 
ATOM   900  H HH11 . ARG A 1 56  ? -10.517 -13.184 -10.165 1.00 105.04 ? 56  ARG A HH11 1 
ATOM   901  H HH12 . ARG A 1 56  ? -10.374 -11.769 -9.723  1.00 105.04 ? 56  ARG A HH12 1 
ATOM   902  H HH21 . ARG A 1 56  ? -9.619  -12.373 -6.587  1.00 93.86  ? 56  ARG A HH21 1 
ATOM   903  H HH22 . ARG A 1 56  ? -9.836  -11.282 -7.578  1.00 93.86  ? 56  ARG A HH22 1 
ATOM   904  N N    . LEU A 1 57  ? -14.951 -16.646 -6.381  1.00 73.76  ? 57  LEU A N    1 
ATOM   905  C CA   . LEU A 1 57  ? -15.952 -15.966 -5.560  1.00 80.47  ? 57  LEU A CA   1 
ATOM   906  C C    . LEU A 1 57  ? -16.571 -16.918 -4.542  1.00 78.76  ? 57  LEU A C    1 
ATOM   907  O O    . LEU A 1 57  ? -16.897 -16.513 -3.419  1.00 76.86  ? 57  LEU A O    1 
ATOM   908  C CB   . LEU A 1 57  ? -17.046 -15.363 -6.461  1.00 84.53  ? 57  LEU A CB   1 
ATOM   909  C CG   . LEU A 1 57  ? -16.718 -14.097 -7.247  1.00 87.75  ? 57  LEU A CG   1 
ATOM   910  C CD1  . LEU A 1 57  ? -17.679 -13.770 -8.351  1.00 91.70  ? 57  LEU A CD1  1 
ATOM   911  C CD2  . LEU A 1 57  ? -16.632 -12.927 -6.247  1.00 70.08  ? 57  LEU A CD2  1 
ATOM   912  H H    . LEU A 1 57  ? -15.191 -16.770 -7.197  1.00 88.60  ? 57  LEU A H    1 
ATOM   913  H HA   . LEU A 1 57  ? -15.521 -15.244 -5.077  1.00 96.66  ? 57  LEU A HA   1 
ATOM   914  H HB2  . LEU A 1 57  ? -17.296 -16.037 -7.112  1.00 101.53 ? 57  LEU A HB2  1 
ATOM   915  H HB3  . LEU A 1 57  ? -17.806 -15.150 -5.896  1.00 101.53 ? 57  LEU A HB3  1 
ATOM   916  H HG   . LEU A 1 57  ? -15.875 -14.244 -7.703  1.00 105.40 ? 57  LEU A HG   1 
ATOM   917  H HD11 . LEU A 1 57  ? -17.346 -13.003 -8.842  1.00 110.14 ? 57  LEU A HD11 1 
ATOM   918  H HD12 . LEU A 1 57  ? -17.752 -14.535 -8.943  1.00 110.14 ? 57  LEU A HD12 1 
ATOM   919  H HD13 . LEU A 1 57  ? -18.545 -13.565 -7.965  1.00 110.14 ? 57  LEU A HD13 1 
ATOM   920  H HD21 . LEU A 1 57  ? -16.307 -12.139 -6.711  1.00 84.19  ? 57  LEU A HD21 1 
ATOM   921  H HD22 . LEU A 1 57  ? -17.515 -12.757 -5.884  1.00 84.19  ? 57  LEU A HD22 1 
ATOM   922  H HD23 . LEU A 1 57  ? -16.020 -13.166 -5.534  1.00 84.19  ? 57  LEU A HD23 1 
ATOM   923  N N    . GLU A 1 58  ? -16.783 -18.176 -4.940  1.00 73.80  ? 58  GLU A N    1 
ATOM   924  C CA   . GLU A 1 58  ? -17.228 -19.216 -4.019  1.00 72.48  ? 58  GLU A CA   1 
ATOM   925  C C    . GLU A 1 58  ? -16.136 -19.527 -3.014  1.00 72.24  ? 58  GLU A C    1 
ATOM   926  O O    . GLU A 1 58  ? -16.434 -19.922 -1.887  1.00 76.09  ? 58  GLU A O    1 
ATOM   927  C CB   . GLU A 1 58  ? -17.640 -20.446 -4.837  1.00 70.58  ? 58  GLU A CB   1 
ATOM   928  C CG   . GLU A 1 58  ? -18.537 -21.483 -4.177  1.00 67.50  ? 58  GLU A CG   1 
ATOM   929  C CD   . GLU A 1 58  ? -19.443 -22.222 -5.226  1.00 69.41  ? 58  GLU A CD   1 
ATOM   930  O OE1  . GLU A 1 58  ? -19.376 -21.929 -6.455  1.00 75.02  ? 58  GLU A OE1  1 
ATOM   931  O OE2  . GLU A 1 58  ? -20.283 -23.060 -4.811  1.00 75.02  ? 58  GLU A OE2  1 
ATOM   932  H H    . GLU A 1 58  ? -16.675 -18.454 -5.747  1.00 88.66  ? 58  GLU A H    1 
ATOM   933  H HA   . GLU A 1 58  ? -18.006 -18.936 -3.513  1.00 87.06  ? 58  GLU A HA   1 
ATOM   934  H HB2  . GLU A 1 58  ? -18.112 -20.132 -5.624  1.00 84.79  ? 58  GLU A HB2  1 
ATOM   935  H HB3  . GLU A 1 58  ? -16.829 -20.909 -5.101  1.00 84.79  ? 58  GLU A HB3  1 
ATOM   936  H HG2  . GLU A 1 58  ? -17.987 -22.146 -3.731  1.00 81.09  ? 58  GLU A HG2  1 
ATOM   937  H HG3  . GLU A 1 58  ? -19.114 -21.043 -3.533  1.00 81.09  ? 58  GLU A HG3  1 
ATOM   938  N N    . LYS A 1 59  ? -14.870 -19.333 -3.409  1.00 82.99  ? 59  LYS A N    1 
ATOM   939  C CA   . LYS A 1 59  ? -13.756 -19.516 -2.477  1.00 89.56  ? 59  LYS A CA   1 
ATOM   940  C C    . LYS A 1 59  ? -13.639 -18.364 -1.484  1.00 96.97  ? 59  LYS A C    1 
ATOM   941  O O    . LYS A 1 59  ? -13.147 -18.565 -0.372  1.00 101.00 ? 59  LYS A O    1 
ATOM   942  C CB   . LYS A 1 59  ? -12.447 -19.655 -3.270  1.00 96.83  ? 59  LYS A CB   1 
ATOM   943  C CG   . LYS A 1 59  ? -11.217 -20.224 -2.552  1.00 103.62 ? 59  LYS A CG   1 
ATOM   944  C CD   . LYS A 1 59  ? -9.976  -20.157 -3.492  1.00 113.84 ? 59  LYS A CD   1 
ATOM   945  C CE   . LYS A 1 59  ? -9.504  -18.712 -3.759  1.00 114.13 ? 59  LYS A CE   1 
ATOM   946  N NZ   . LYS A 1 59  ? -8.271  -18.656 -4.604  1.00 130.57 ? 59  LYS A NZ   1 
ATOM   947  H H    . LYS A 1 59  ? -14.634 -19.099 -4.202  1.00 99.67  ? 59  LYS A H    1 
ATOM   948  H HA   . LYS A 1 59  ? -13.907 -20.329 -1.970  1.00 107.56 ? 59  LYS A HA   1 
ATOM   949  H HB2  . LYS A 1 59  ? -12.620 -20.238 -4.025  1.00 116.28 ? 59  LYS A HB2  1 
ATOM   950  H HB3  . LYS A 1 59  ? -12.198 -18.771 -3.584  1.00 116.28 ? 59  LYS A HB3  1 
ATOM   951  H HG2  . LYS A 1 59  ? -11.033 -19.702 -1.755  1.00 124.44 ? 59  LYS A HG2  1 
ATOM   952  H HG3  . LYS A 1 59  ? -11.378 -21.150 -2.312  1.00 124.44 ? 59  LYS A HG3  1 
ATOM   953  H HD2  . LYS A 1 59  ? -9.242  -20.641 -3.081  1.00 136.70 ? 59  LYS A HD2  1 
ATOM   954  H HD3  . LYS A 1 59  ? -10.203 -20.561 -4.344  1.00 136.70 ? 59  LYS A HD3  1 
ATOM   955  H HE2  . LYS A 1 59  ? -10.207 -18.230 -4.222  1.00 137.05 ? 59  LYS A HE2  1 
ATOM   956  H HE3  . LYS A 1 59  ? -9.308  -18.281 -2.913  1.00 137.05 ? 59  LYS A HE3  1 
ATOM   957  H HZ1  . LYS A 1 59  ? -7.951  -17.825 -4.622  1.00 156.77 ? 59  LYS A HZ1  1 
ATOM   958  H HZ2  . LYS A 1 59  ? -7.648  -19.197 -4.270  1.00 156.77 ? 59  LYS A HZ2  1 
ATOM   959  H HZ3  . LYS A 1 59  ? -8.459  -18.911 -5.435  1.00 156.77 ? 59  LYS A HZ3  1 
ATOM   960  N N    . ASP A 1 60  ? -14.124 -17.176 -1.828  1.00 91.52  ? 60  ASP A N    1 
ATOM   961  C CA   . ASP A 1 60  ? -14.042 -16.043 -0.915  1.00 85.34  ? 60  ASP A CA   1 
ATOM   962  C C    . ASP A 1 60  ? -15.318 -15.857 -0.129  1.00 85.56  ? 60  ASP A C    1 
ATOM   963  O O    . ASP A 1 60  ? -15.509 -14.801 0.489   1.00 89.31  ? 60  ASP A O    1 
ATOM   964  C CB   . ASP A 1 60  ? -13.684 -14.768 -1.659  1.00 91.68  ? 60  ASP A CB   1 
ATOM   965  C CG   . ASP A 1 60  ? -12.205 -14.681 -1.923  1.00 94.59  ? 60  ASP A CG   1 
ATOM   966  O OD1  . ASP A 1 60  ? -11.403 -15.167 -1.080  1.00 89.18  ? 60  ASP A OD1  1 
ATOM   967  O OD2  . ASP A 1 60  ? -11.839 -14.154 -2.986  1.00 93.32  ? 60  ASP A OD2  1 
ATOM   968  H H    . ASP A 1 60  ? -14.502 -17.002 -2.581  1.00 109.92 ? 60  ASP A H    1 
ATOM   969  H HA   . ASP A 1 60  ? -13.322 -16.208 -0.285  1.00 102.50 ? 60  ASP A HA   1 
ATOM   970  H HB2  . ASP A 1 60  ? -14.147 -14.752 -2.511  1.00 110.11 ? 60  ASP A HB2  1 
ATOM   971  H HB3  . ASP A 1 60  ? -13.944 -14.001 -1.125  1.00 110.11 ? 60  ASP A HB3  1 
ATOM   972  N N    . GLY A 1 61  ? -16.229 -16.829 -0.217  1.00 85.43  ? 61  GLY A N    1 
ATOM   973  C CA   . GLY A 1 61  ? -17.493 -16.806 0.491   1.00 81.77  ? 61  GLY A CA   1 
ATOM   974  C C    . GLY A 1 61  ? -18.543 -15.891 -0.086  1.00 78.64  ? 61  GLY A C    1 
ATOM   975  O O    . GLY A 1 61  ? -19.652 -15.808 0.461   1.00 77.44  ? 61  GLY A O    1 
ATOM   976  H H    . GLY A 1 61  ? -16.127 -17.535 -0.698  1.00 102.61 ? 61  GLY A H    1 
ATOM   977  H HA2  . GLY A 1 61  ? -17.859 -17.704 0.498   1.00 98.22  ? 61  GLY A HA2  1 
ATOM   978  H HA3  . GLY A 1 61  ? -17.330 -16.525 1.405   1.00 98.22  ? 61  GLY A HA3  1 
ATOM   979  N N    . ILE A 1 62  ? -18.232 -15.215 -1.178  1.00 89.50  ? 62  ILE A N    1 
ATOM   980  C CA   . ILE A 1 62  ? -19.157 -14.255 -1.738  1.00 95.67  ? 62  ILE A CA   1 
ATOM   981  C C    . ILE A 1 62  ? -20.360 -14.955 -2.376  1.00 88.12  ? 62  ILE A C    1 
ATOM   982  O O    . ILE A 1 62  ? -21.494 -14.483 -2.257  1.00 86.35  ? 62  ILE A O    1 
ATOM   983  C CB   . ILE A 1 62  ? -18.395 -13.363 -2.727  1.00 94.73  ? 62  ILE A CB   1 
ATOM   984  C CG1  . ILE A 1 62  ? -17.069 -12.861 -2.115  1.00 77.15  ? 62  ILE A CG1  1 
ATOM   985  C CG2  . ILE A 1 62  ? -19.290 -12.231 -3.159  1.00 84.29  ? 62  ILE A CG2  1 
ATOM   986  C CD1  . ILE A 1 62  ? -17.188 -12.011 -0.886  1.00 71.23  ? 62  ILE A CD1  1 
ATOM   987  H H    . ILE A 1 62  ? -17.493 -15.293 -1.611  1.00 107.49 ? 62  ILE A H    1 
ATOM   988  H HA   . ILE A 1 62  ? -19.517 -13.696 -1.031  1.00 114.89 ? 62  ILE A HA   1 
ATOM   989  H HB   . ILE A 1 62  ? -18.153 -13.881 -3.510  1.00 113.77 ? 62  ILE A HB   1 
ATOM   990  H HG12 . ILE A 1 62  ? -16.534 -13.634 -1.878  1.00 92.67  ? 62  ILE A HG12 1 
ATOM   991  H HG13 . ILE A 1 62  ? -16.609 -12.331 -2.785  1.00 92.67  ? 62  ILE A HG13 1 
ATOM   992  H HG21 . ILE A 1 62  ? -18.777 -11.611 -3.700  1.00 101.24 ? 62  ILE A HG21 1 
ATOM   993  H HG22 . ILE A 1 62  ? -20.027 -12.592 -3.677  1.00 101.24 ? 62  ILE A HG22 1 
ATOM   994  H HG23 . ILE A 1 62  ? -19.631 -11.780 -2.371  1.00 101.24 ? 62  ILE A HG23 1 
ATOM   995  H HD11 . ILE A 1 62  ? -16.311 -11.913 -0.484  1.00 85.56  ? 62  ILE A HD11 1 
ATOM   996  H HD12 . ILE A 1 62  ? -17.537 -11.141 -1.135  1.00 85.56  ? 62  ILE A HD12 1 
ATOM   997  H HD13 . ILE A 1 62  ? -17.792 -12.442 -0.261  1.00 85.56  ? 62  ILE A HD13 1 
ATOM   998  N N    . ILE A 1 63  ? -20.142 -16.103 -3.022  1.00 68.88  ? 63  ILE A N    1 
ATOM   999  C CA   . ILE A 1 63  ? -21.121 -16.800 -3.860  1.00 69.19  ? 63  ILE A CA   1 
ATOM   1000 C C    . ILE A 1 63  ? -21.329 -18.216 -3.337  1.00 65.46  ? 63  ILE A C    1 
ATOM   1001 O O    . ILE A 1 63  ? -20.498 -18.759 -2.599  1.00 64.87  ? 63  ILE A O    1 
ATOM   1002 C CB   . ILE A 1 63  ? -20.644 -16.814 -5.338  1.00 67.24  ? 63  ILE A CB   1 
ATOM   1003 C CG1  . ILE A 1 63  ? -20.801 -15.423 -5.959  1.00 69.42  ? 63  ILE A CG1  1 
ATOM   1004 C CG2  . ILE A 1 63  ? -21.371 -17.789 -6.209  1.00 64.81  ? 63  ILE A CG2  1 
ATOM   1005 C CD1  . ILE A 1 63  ? -22.188 -14.834 -5.739  1.00 70.24  ? 63  ILE A CD1  1 
ATOM   1006 H H    . ILE A 1 63  ? -19.392 -16.522 -2.989  1.00 82.74  ? 63  ILE A H    1 
ATOM   1007 H HA   . ILE A 1 63  ? -21.981 -16.354 -3.802  1.00 83.12  ? 63  ILE A HA   1 
ATOM   1008 H HB   . ILE A 1 63  ? -19.714 -17.088 -5.298  1.00 80.78  ? 63  ILE A HB   1 
ATOM   1009 H HG12 . ILE A 1 63  ? -20.153 -14.823 -5.558  1.00 83.40  ? 63  ILE A HG12 1 
ATOM   1010 H HG13 . ILE A 1 63  ? -20.650 -15.485 -6.915  1.00 83.40  ? 63  ILE A HG13 1 
ATOM   1011 H HG21 . ILE A 1 63  ? -21.140 -17.618 -7.136  1.00 77.87  ? 63  ILE A HG21 1 
ATOM   1012 H HG22 . ILE A 1 63  ? -21.109 -18.689 -5.963  1.00 77.87  ? 63  ILE A HG22 1 
ATOM   1013 H HG23 . ILE A 1 63  ? -22.326 -17.676 -6.080  1.00 77.87  ? 63  ILE A HG23 1 
ATOM   1014 H HD11 . ILE A 1 63  ? -22.296 -14.058 -6.312  1.00 84.38  ? 63  ILE A HD11 1 
ATOM   1015 H HD12 . ILE A 1 63  ? -22.854 -15.503 -5.959  1.00 84.38  ? 63  ILE A HD12 1 
ATOM   1016 H HD13 . ILE A 1 63  ? -22.276 -14.573 -4.809  1.00 84.38  ? 63  ILE A HD13 1 
ATOM   1017 N N    . SER A 1 64  ? -22.492 -18.775 -3.664  1.00 62.84  ? 64  SER A N    1 
ATOM   1018 C CA   . SER A 1 64  ? -22.832 -20.169 -3.426  1.00 60.99  ? 64  SER A CA   1 
ATOM   1019 C C    . SER A 1 64  ? -23.360 -20.774 -4.721  1.00 60.32  ? 64  SER A C    1 
ATOM   1020 O O    . SER A 1 64  ? -23.795 -20.048 -5.613  1.00 62.80  ? 64  SER A O    1 
ATOM   1021 C CB   . SER A 1 64  ? -23.899 -20.297 -2.351  1.00 64.42  ? 64  SER A CB   1 
ATOM   1022 O OG   . SER A 1 64  ? -25.139 -19.809 -2.866  1.00 68.55  ? 64  SER A OG   1 
ATOM   1023 H H    . SER A 1 64  ? -23.130 -18.342 -4.044  1.00 75.51  ? 64  SER A H    1 
ATOM   1024 H HA   . SER A 1 64  ? -22.042 -20.656 -3.144  1.00 73.28  ? 64  SER A HA   1 
ATOM   1025 H HB2  . SER A 1 64  ? -23.997 -21.229 -2.102  1.00 77.39  ? 64  SER A HB2  1 
ATOM   1026 H HB3  . SER A 1 64  ? -23.642 -19.772 -1.576  1.00 77.39  ? 64  SER A HB3  1 
ATOM   1027 H HG   . SER A 1 64  ? -25.749 -19.917 -2.299  1.00 82.35  ? 64  SER A HG   1 
ATOM   1028 N N    . SER A 1 65  ? -23.340 -22.105 -4.820  1.00 67.23  ? 65  SER A N    1 
ATOM   1029 C CA   . SER A 1 65  ? -23.904 -22.791 -5.978  1.00 61.94  ? 65  SER A CA   1 
ATOM   1030 C C    . SER A 1 65  ? -24.764 -23.954 -5.525  1.00 56.65  ? 65  SER A C    1 
ATOM   1031 O O    . SER A 1 65  ? -24.603 -24.494 -4.431  1.00 62.27  ? 65  SER A O    1 
ATOM   1032 C CB   . SER A 1 65  ? -22.845 -23.335 -6.957  1.00 58.17  ? 65  SER A CB   1 
ATOM   1033 O OG   . SER A 1 65  ? -22.033 -24.321 -6.338  1.00 63.48  ? 65  SER A OG   1 
ATOM   1034 H H    . SER A 1 65  ? -23.004 -22.630 -4.228  1.00 80.76  ? 65  SER A H    1 
ATOM   1035 H HA   . SER A 1 65  ? -24.446 -22.141 -6.451  1.00 74.42  ? 65  SER A HA   1 
ATOM   1036 H HB2  . SER A 1 65  ? -23.296 -23.732 -7.719  1.00 69.90  ? 65  SER A HB2  1 
ATOM   1037 H HB3  . SER A 1 65  ? -22.282 -22.602 -7.250  1.00 69.90  ? 65  SER A HB3  1 
ATOM   1038 H HG   . SER A 1 65  ? -21.686 -24.010 -5.639  1.00 76.27  ? 65  SER A HG   1 
ATOM   1039 N N    . TYR A 1 66  ? -25.688 -24.332 -6.396  1.00 57.04  ? 66  TYR A N    1 
ATOM   1040 C CA   . TYR A 1 66  ? -26.536 -25.488 -6.160  1.00 55.70  ? 66  TYR A CA   1 
ATOM   1041 C C    . TYR A 1 66  ? -27.105 -25.916 -7.507  1.00 58.43  ? 66  TYR A C    1 
ATOM   1042 O O    . TYR A 1 66  ? -27.010 -25.194 -8.507  1.00 53.28  ? 66  TYR A O    1 
ATOM   1043 C CB   . TYR A 1 66  ? -27.621 -25.155 -5.143  1.00 57.09  ? 66  TYR A CB   1 
ATOM   1044 C CG   . TYR A 1 66  ? -28.488 -24.048 -5.632  1.00 64.57  ? 66  TYR A CG   1 
ATOM   1045 C CD1  . TYR A 1 66  ? -28.115 -22.738 -5.428  1.00 63.35  ? 66  TYR A CD1  1 
ATOM   1046 C CD2  . TYR A 1 66  ? -29.695 -24.301 -6.303  1.00 61.73  ? 66  TYR A CD2  1 
ATOM   1047 C CE1  . TYR A 1 66  ? -28.898 -21.684 -5.875  1.00 62.45  ? 66  TYR A CE1  1 
ATOM   1048 C CE2  . TYR A 1 66  ? -30.501 -23.246 -6.758  1.00 64.78  ? 66  TYR A CE2  1 
ATOM   1049 C CZ   . TYR A 1 66  ? -30.066 -21.928 -6.532  1.00 64.75  ? 66  TYR A CZ   1 
ATOM   1050 O OH   . TYR A 1 66  ? -30.777 -20.840 -6.955  1.00 61.42  ? 66  TYR A OH   1 
ATOM   1051 H H    . TYR A 1 66  ? -25.845 -23.930 -7.140  1.00 68.54  ? 66  TYR A H    1 
ATOM   1052 H HA   . TYR A 1 66  ? -26.025 -26.233 -5.806  1.00 66.94  ? 66  TYR A HA   1 
ATOM   1053 H HB2  . TYR A 1 66  ? -28.175 -25.938 -4.994  1.00 68.61  ? 66  TYR A HB2  1 
ATOM   1054 H HB3  . TYR A 1 66  ? -27.208 -24.878 -4.310  1.00 68.61  ? 66  TYR A HB3  1 
ATOM   1055 H HD1  . TYR A 1 66  ? -27.320 -22.557 -4.980  1.00 76.11  ? 66  TYR A HD1  1 
ATOM   1056 H HD2  . TYR A 1 66  ? -29.964 -25.179 -6.447  1.00 74.17  ? 66  TYR A HD2  1 
ATOM   1057 H HE1  . TYR A 1 66  ? -28.624 -20.808 -5.727  1.00 75.03  ? 66  TYR A HE1  1 
ATOM   1058 H HE2  . TYR A 1 66  ? -31.303 -23.415 -7.198  1.00 77.83  ? 66  TYR A HE2  1 
ATOM   1059 H HH   . TYR A 1 66  ? -30.352 -20.135 -6.787  1.00 73.80  ? 66  TYR A HH   1 
ATOM   1060 N N    . TRP A 1 67  ? -27.714 -27.098 -7.529  1.00 58.63  ? 67  TRP A N    1 
ATOM   1061 C CA   . TRP A 1 67  ? -28.344 -27.589 -8.746  1.00 63.98  ? 67  TRP A CA   1 
ATOM   1062 C C    . TRP A 1 67  ? -29.819 -27.237 -8.685  1.00 59.25  ? 67  TRP A C    1 
ATOM   1063 O O    . TRP A 1 67  ? -30.464 -27.479 -7.673  1.00 61.94  ? 67  TRP A O    1 
ATOM   1064 C CB   . TRP A 1 67  ? -28.171 -29.092 -8.879  1.00 66.11  ? 67  TRP A CB   1 
ATOM   1065 C CG   . TRP A 1 67  ? -26.751 -29.474 -8.948  1.00 63.67  ? 67  TRP A CG   1 
ATOM   1066 C CD1  . TRP A 1 67  ? -25.985 -29.982 -7.941  1.00 64.15  ? 67  TRP A CD1  1 
ATOM   1067 C CD2  . TRP A 1 67  ? -25.887 -29.309 -10.071 1.00 63.20  ? 67  TRP A CD2  1 
ATOM   1068 N NE1  . TRP A 1 67  ? -24.713 -30.205 -8.396  1.00 70.88  ? 67  TRP A NE1  1 
ATOM   1069 C CE2  . TRP A 1 67  ? -24.621 -29.786 -9.698  1.00 69.21  ? 67  TRP A CE2  1 
ATOM   1070 C CE3  . TRP A 1 67  ? -26.070 -28.824 -11.367 1.00 62.94  ? 67  TRP A CE3  1 
ATOM   1071 C CZ2  . TRP A 1 67  ? -23.532 -29.776 -10.575 1.00 74.24  ? 67  TRP A CZ2  1 
ATOM   1072 C CZ3  . TRP A 1 67  ? -25.001 -28.832 -12.234 1.00 68.24  ? 67  TRP A CZ3  1 
ATOM   1073 C CH2  . TRP A 1 67  ? -23.752 -29.301 -11.844 1.00 66.23  ? 67  TRP A CH2  1 
ATOM   1074 H H    . TRP A 1 67  ? -27.774 -27.628 -6.855  1.00 70.45  ? 67  TRP A H    1 
ATOM   1075 H HA   . TRP A 1 67  ? -27.943 -27.175 -9.526  1.00 76.86  ? 67  TRP A HA   1 
ATOM   1076 H HB2  . TRP A 1 67  ? -28.567 -29.529 -8.109  1.00 79.42  ? 67  TRP A HB2  1 
ATOM   1077 H HB3  . TRP A 1 67  ? -28.607 -29.393 -9.692  1.00 79.42  ? 67  TRP A HB3  1 
ATOM   1078 H HD1  . TRP A 1 67  ? -26.281 -30.151 -7.076  1.00 77.07  ? 67  TRP A HD1  1 
ATOM   1079 H HE1  . TRP A 1 67  ? -24.074 -30.553 -7.938  1.00 85.15  ? 67  TRP A HE1  1 
ATOM   1080 H HE3  . TRP A 1 67  ? -26.898 -28.502 -11.640 1.00 75.62  ? 67  TRP A HE3  1 
ATOM   1081 H HZ2  . TRP A 1 67  ? -22.694 -30.080 -10.310 1.00 89.19  ? 67  TRP A HZ2  1 
ATOM   1082 H HZ3  . TRP A 1 67  ? -25.117 -28.516 -13.101 1.00 81.98  ? 67  TRP A HZ3  1 
ATOM   1083 H HH2  . TRP A 1 67  ? -23.051 -29.292 -12.455 1.00 79.57  ? 67  TRP A HH2  1 
ATOM   1084 N N    . GLY A 1 68  ? -30.352 -26.648 -9.747  1.00 55.98  ? 68  GLY A N    1 
ATOM   1085 C CA   . GLY A 1 68  ? -31.702 -26.096 -9.642  1.00 61.08  ? 68  GLY A CA   1 
ATOM   1086 C C    . GLY A 1 68  ? -32.701 -26.775 -10.565 1.00 62.63  ? 68  GLY A C    1 
ATOM   1087 O O    . GLY A 1 68  ? -33.888 -26.861 -10.280 1.00 63.78  ? 68  GLY A O    1 
ATOM   1088 H H    . GLY A 1 68  ? -29.970 -26.557 -10.512 1.00 67.27  ? 68  GLY A H    1 
ATOM   1089 H HA2  . GLY A 1 68  ? -32.017 -26.197 -8.730  1.00 73.39  ? 68  GLY A HA2  1 
ATOM   1090 H HA3  . GLY A 1 68  ? -31.678 -25.153 -9.865  1.00 73.39  ? 68  GLY A HA3  1 
ATOM   1091 N N    . ASP A 1 69  ? -32.199 -27.223 -11.700 1.00 64.85  ? 69  ASP A N    1 
ATOM   1092 C CA   . ASP A 1 69  ? -32.943 -27.966 -12.690 1.00 60.30  ? 69  ASP A CA   1 
ATOM   1093 C C    . ASP A 1 69  ? -32.155 -29.247 -12.814 1.00 54.69  ? 69  ASP A C    1 
ATOM   1094 O O    . ASP A 1 69  ? -30.928 -29.198 -12.990 1.00 63.45  ? 69  ASP A O    1 
ATOM   1095 C CB   . ASP A 1 69  ? -32.978 -27.234 -13.998 1.00 62.92  ? 69  ASP A CB   1 
ATOM   1096 C CG   . ASP A 1 69  ? -33.756 -25.966 -13.904 1.00 67.06  ? 69  ASP A CG   1 
ATOM   1097 O OD1  . ASP A 1 69  ? -34.900 -25.962 -13.384 1.00 78.66  ? 69  ASP A OD1  1 
ATOM   1098 O OD2  . ASP A 1 69  ? -33.220 -24.960 -14.380 1.00 60.42  ? 69  ASP A OD2  1 
ATOM   1099 H H    . ASP A 1 69  ? -31.380 -27.101 -11.930 1.00 77.92  ? 69  ASP A H    1 
ATOM   1100 H HA   . ASP A 1 69  ? -33.868 -28.125 -12.444 1.00 72.46  ? 69  ASP A HA   1 
ATOM   1101 H HB2  . ASP A 1 69  ? -32.072 -27.016 -14.266 1.00 75.60  ? 69  ASP A HB2  1 
ATOM   1102 H HB3  . ASP A 1 69  ? -33.396 -27.798 -14.668 1.00 75.60  ? 69  ASP A HB3  1 
ATOM   1103 N N    . GLU A 1 70  ? -32.811 -30.374 -12.605 1.00 55.58  ? 70  GLU A N    1 
ATOM   1104 C CA   . GLU A 1 70  ? -32.068 -31.615 -12.514 1.00 56.20  ? 70  GLU A CA   1 
ATOM   1105 C C    . GLU A 1 70  ? -32.992 -32.763 -12.829 1.00 59.21  ? 70  GLU A C    1 
ATOM   1106 O O    . GLU A 1 70  ? -33.922 -33.075 -12.056 1.00 61.40  ? 70  GLU A O    1 
ATOM   1107 C CB   . GLU A 1 70  ? -31.449 -31.791 -11.158 1.00 58.04  ? 70  GLU A CB   1 
ATOM   1108 C CG   . GLU A 1 70  ? -30.714 -33.101 -10.982 1.00 61.71  ? 70  GLU A CG   1 
ATOM   1109 C CD   . GLU A 1 70  ? -29.744 -33.027 -9.823  1.00 68.64  ? 70  GLU A CD   1 
ATOM   1110 O OE1  . GLU A 1 70  ? -29.832 -32.052 -9.037  1.00 73.54  ? 70  GLU A OE1  1 
ATOM   1111 O OE2  . GLU A 1 70  ? -28.907 -33.940 -9.696  1.00 68.58  ? 70  GLU A OE2  1 
ATOM   1112 H H    . GLU A 1 70  ? -33.663 -30.445 -12.515 1.00 66.78  ? 70  GLU A H    1 
ATOM   1113 H HA   . GLU A 1 70  ? -31.363 -31.592 -13.180 1.00 66.98  ? 70  GLU A HA   1 
ATOM   1114 H HB2  . GLU A 1 70  ? -30.814 -31.074 -11.010 1.00 69.19  ? 70  GLU A HB2  1 
ATOM   1115 H HB3  . GLU A 1 70  ? -32.151 -31.755 -10.489 1.00 69.19  ? 70  GLU A HB3  1 
ATOM   1116 H HG2  . GLU A 1 70  ? -31.353 -33.808 -10.803 1.00 73.59  ? 70  GLU A HG2  1 
ATOM   1117 H HG3  . GLU A 1 70  ? -30.214 -33.301 -11.788 1.00 73.59  ? 70  GLU A HG3  1 
ATOM   1118 N N    . SER A 1 71  ? -32.697 -33.408 -13.932 1.00 59.85  ? 71  SER A N    1 
ATOM   1119 C CA   . SER A 1 71  ? -33.418 -34.597 -14.338 1.00 73.58  ? 71  SER A CA   1 
ATOM   1120 C C    . SER A 1 71  ? -32.438 -35.554 -15.013 1.00 88.82  ? 71  SER A C    1 
ATOM   1121 O O    . SER A 1 71  ? -31.258 -35.240 -15.203 1.00 77.68  ? 71  SER A O    1 
ATOM   1122 C CB   . SER A 1 71  ? -34.529 -34.240 -15.316 1.00 79.45  ? 71  SER A CB   1 
ATOM   1123 O OG   . SER A 1 71  ? -33.909 -33.716 -16.504 1.00 70.78  ? 71  SER A OG   1 
ATOM   1124 H H    . SER A 1 71  ? -32.072 -33.175 -14.476 1.00 71.51  ? 71  SER A H    1 
ATOM   1125 H HA   . SER A 1 71  ? -33.793 -35.021 -13.550 1.00 88.39  ? 71  SER A HA   1 
ATOM   1126 H HB2  . SER A 1 71  ? -35.042 -35.033 -15.535 1.00 95.43  ? 71  SER A HB2  1 
ATOM   1127 H HB3  . SER A 1 71  ? -35.109 -33.568 -14.924 1.00 95.43  ? 71  SER A HB3  1 
ATOM   1128 H HG   . SER A 1 71  ? -34.332 -33.043 -16.776 1.00 85.02  ? 71  SER A HG   1 
ATOM   1129 N N    . GLN A 1 72  ? -32.951 -36.710 -15.444 1.00 86.65  ? 72  GLN A N    1 
ATOM   1130 C CA   . GLN A 1 72  ? -32.124 -37.704 -16.129 1.00 89.73  ? 72  GLN A CA   1 
ATOM   1131 C C    . GLN A 1 72  ? -31.534 -37.191 -17.458 1.00 84.44  ? 72  GLN A C    1 
ATOM   1132 O O    . GLN A 1 72  ? -30.524 -37.744 -17.934 1.00 81.96  ? 72  GLN A O    1 
ATOM   1133 C CB   . GLN A 1 72  ? -32.962 -38.981 -16.321 1.00 98.40  ? 72  GLN A CB   1 
ATOM   1134 C CG   . GLN A 1 72  ? -33.107 -39.908 -15.062 1.00 102.84 ? 72  GLN A CG   1 
ATOM   1135 C CD   . GLN A 1 72  ? -34.009 -39.372 -13.923 1.00 107.22 ? 72  GLN A CD   1 
ATOM   1136 O OE1  . GLN A 1 72  ? -34.485 -38.221 -13.942 1.00 97.24  ? 72  GLN A OE1  1 
ATOM   1137 N NE2  . GLN A 1 72  ? -34.225 -40.217 -12.915 1.00 111.55 ? 72  GLN A NE2  1 
ATOM   1138 H H    . GLN A 1 72  ? -33.774 -36.943 -15.352 1.00 104.07 ? 72  GLN A H    1 
ATOM   1139 H HA   . GLN A 1 72  ? -31.355 -37.930 -15.582 1.00 107.77 ? 72  GLN A HA   1 
ATOM   1140 H HB2  . GLN A 1 72  ? -33.857 -38.718 -16.588 1.00 118.18 ? 72  GLN A HB2  1 
ATOM   1141 H HB3  . GLN A 1 72  ? -32.549 -39.511 -17.021 1.00 118.18 ? 72  GLN A HB3  1 
ATOM   1142 H HG2  . GLN A 1 72  ? -33.483 -40.754 -15.350 1.00 123.51 ? 72  GLN A HG2  1 
ATOM   1143 H HG3  . GLN A 1 72  ? -32.224 -40.048 -14.686 1.00 123.51 ? 72  GLN A HG3  1 
ATOM   1144 H HE21 . GLN A 1 72  ? -33.871 -41.001 -12.928 1.00 133.95 ? 72  GLN A HE21 1 
ATOM   1145 H HE22 . GLN A 1 72  ? -34.718 -39.979 -12.251 1.00 133.95 ? 72  GLN A HE22 1 
ATOM   1146 N N    . GLY A 1 73  ? -32.083 -36.108 -18.029 1.00 79.70  ? 73  GLY A N    1 
ATOM   1147 C CA   . GLY A 1 73  ? -31.597 -35.550 -19.279 1.00 74.45  ? 73  GLY A CA   1 
ATOM   1148 C C    . GLY A 1 73  ? -30.741 -34.314 -19.133 1.00 64.47  ? 73  GLY A C    1 
ATOM   1149 O O    . GLY A 1 73  ? -30.439 -33.644 -20.137 1.00 60.53  ? 73  GLY A O    1 
ATOM   1150 H H    . GLY A 1 73  ? -32.749 -35.678 -17.698 1.00 95.74  ? 73  GLY A H    1 
ATOM   1151 H HA2  . GLY A 1 73  ? -31.068 -36.224 -19.735 1.00 89.43  ? 73  GLY A HA2  1 
ATOM   1152 H HA3  . GLY A 1 73  ? -32.359 -35.319 -19.833 1.00 89.43  ? 73  GLY A HA3  1 
ATOM   1153 N N    . GLY A 1 74  ? -30.338 -33.982 -17.917 1.00 67.93  ? 74  GLY A N    1 
ATOM   1154 C CA   . GLY A 1 74  ? -29.425 -32.876 -17.780 1.00 57.37  ? 74  GLY A CA   1 
ATOM   1155 C C    . GLY A 1 74  ? -29.671 -32.043 -16.554 1.00 58.49  ? 74  GLY A C    1 
ATOM   1156 O O    . GLY A 1 74  ? -30.721 -32.169 -15.911 1.00 59.52  ? 74  GLY A O    1 
ATOM   1157 H H    . GLY A 1 74  ? -30.573 -34.371 -17.187 1.00 81.61  ? 74  GLY A H    1 
ATOM   1158 H HA2  . GLY A 1 74  ? -28.518 -33.218 -17.734 1.00 68.69  ? 74  GLY A HA2  1 
ATOM   1159 H HA3  . GLY A 1 74  ? -29.507 -32.301 -18.556 1.00 68.69  ? 74  GLY A HA3  1 
ATOM   1160 N N    . ARG A 1 75  ? -28.718 -31.182 -16.208 1.00 52.84  ? 75  ARG A N    1 
ATOM   1161 C CA   . ARG A 1 75  ? -28.958 -30.303 -15.088 1.00 54.80  ? 75  ARG A CA   1 
ATOM   1162 C C    . ARG A 1 75  ? -28.237 -28.998 -15.296 1.00 54.04  ? 75  ARG A C    1 
ATOM   1163 O O    . ARG A 1 75  ? -27.461 -28.833 -16.234 1.00 50.06  ? 75  ARG A O    1 
ATOM   1164 C CB   . ARG A 1 75  ? -28.527 -30.955 -13.798 1.00 61.81  ? 75  ARG A CB   1 
ATOM   1165 C CG   . ARG A 1 75  ? -27.087 -31.485 -13.839 1.00 70.86  ? 75  ARG A CG   1 
ATOM   1166 C CD   . ARG A 1 75  ? -26.905 -32.306 -12.566 1.00 71.75  ? 75  ARG A CD   1 
ATOM   1167 N NE   . ARG A 1 75  ? -25.524 -32.467 -12.148 1.00 74.82  ? 75  ARG A NE   1 
ATOM   1168 C CZ   . ARG A 1 75  ? -25.167 -32.905 -10.946 1.00 81.43  ? 75  ARG A CZ   1 
ATOM   1169 N NH1  . ARG A 1 75  ? -26.075 -33.234 -10.026 1.00 75.28  ? 75  ARG A NH1  1 
ATOM   1170 N NH2  . ARG A 1 75  ? -23.869 -33.007 -10.654 1.00 85.35  ? 75  ARG A NH2  1 
ATOM   1171 H H    . ARG A 1 75  ? -27.956 -31.097 -16.597 1.00 62.95  ? 75  ARG A H    1 
ATOM   1172 H HA   . ARG A 1 75  ? -29.907 -30.104 -15.042 1.00 65.85  ? 75  ARG A HA   1 
ATOM   1173 H HB2  . ARG A 1 75  ? -28.584 -30.303 -13.083 1.00 74.27  ? 75  ARG A HB2  1 
ATOM   1174 H HB3  . ARG A 1 75  ? -29.115 -31.703 -13.613 1.00 74.27  ? 75  ARG A HB3  1 
ATOM   1175 H HG2  . ARG A 1 75  ? -26.953 -32.051 -14.616 1.00 85.13  ? 75  ARG A HG2  1 
ATOM   1176 H HG3  . ARG A 1 75  ? -26.452 -30.752 -13.850 1.00 85.13  ? 75  ARG A HG3  1 
ATOM   1177 H HD2  . ARG A 1 75  ? -27.380 -31.867 -11.844 1.00 86.20  ? 75  ARG A HD2  1 
ATOM   1178 H HD3  . ARG A 1 75  ? -27.271 -33.192 -12.714 1.00 86.20  ? 75  ARG A HD3  1 
ATOM   1179 H HE   . ARG A 1 75  ? -24.903 -32.269 -12.710 1.00 89.87  ? 75  ARG A HE   1 
ATOM   1180 H HH11 . ARG A 1 75  ? -26.913 -33.166 -10.205 1.00 90.43  ? 75  ARG A HH11 1 
ATOM   1181 H HH12 . ARG A 1 75  ? -25.821 -33.515 -9.254  1.00 90.43  ? 75  ARG A HH12 1 
ATOM   1182 H HH21 . ARG A 1 75  ? -23.278 -32.791 -11.240 1.00 102.52 ? 75  ARG A HH21 1 
ATOM   1183 H HH22 . ARG A 1 75  ? -23.624 -33.288 -9.880  1.00 102.52 ? 75  ARG A HH22 1 
ATOM   1184 N N    . ARG A 1 76  ? -28.507 -28.069 -14.409 1.00 56.19  ? 76  ARG A N    1 
ATOM   1185 C CA   . ARG A 1 76  ? -28.061 -26.705 -14.550 1.00 54.27  ? 76  ARG A CA   1 
ATOM   1186 C C    . ARG A 1 76  ? -27.753 -26.183 -13.165 1.00 54.40  ? 76  ARG A C    1 
ATOM   1187 O O    . ARG A 1 76  ? -28.548 -26.324 -12.237 1.00 52.14  ? 76  ARG A O    1 
ATOM   1188 C CB   . ARG A 1 76  ? -29.118 -25.869 -15.236 1.00 56.47  ? 76  ARG A CB   1 
ATOM   1189 C CG   . ARG A 1 76  ? -28.946 -24.447 -14.969 1.00 57.29  ? 76  ARG A CG   1 
ATOM   1190 C CD   . ARG A 1 76  ? -30.062 -23.683 -15.642 1.00 61.78  ? 76  ARG A CD   1 
ATOM   1191 N NE   . ARG A 1 76  ? -29.864 -23.741 -17.082 1.00 66.22  ? 76  ARG A NE   1 
ATOM   1192 C CZ   . ARG A 1 76  ? -30.743 -23.346 -17.988 1.00 64.82  ? 76  ARG A CZ   1 
ATOM   1193 N NH1  . ARG A 1 76  ? -31.937 -22.899 -17.638 1.00 63.36  ? 76  ARG A NH1  1 
ATOM   1194 N NH2  . ARG A 1 76  ? -30.403 -23.372 -19.276 1.00 59.80  ? 76  ARG A NH2  1 
ATOM   1195 H H    . ARG A 1 76  ? -28.962 -28.209 -13.693 1.00 67.52  ? 76  ARG A H    1 
ATOM   1196 H HA   . ARG A 1 76  ? -27.254 -26.647 -15.084 1.00 65.22  ? 76  ARG A HA   1 
ATOM   1197 H HB2  . ARG A 1 76  ? -29.061 -26.008 -16.194 1.00 67.86  ? 76  ARG A HB2  1 
ATOM   1198 H HB3  . ARG A 1 76  ? -29.993 -26.135 -14.914 1.00 67.86  ? 76  ARG A HB3  1 
ATOM   1199 H HG2  . ARG A 1 76  ? -28.982 -24.283 -14.014 1.00 68.84  ? 76  ARG A HG2  1 
ATOM   1200 H HG3  . ARG A 1 76  ? -28.096 -24.144 -15.326 1.00 68.84  ? 76  ARG A HG3  1 
ATOM   1201 H HD2  . ARG A 1 76  ? -30.917 -24.083 -15.423 1.00 74.23  ? 76  ARG A HD2  1 
ATOM   1202 H HD3  . ARG A 1 76  ? -30.047 -22.755 -15.357 1.00 74.23  ? 76  ARG A HD3  1 
ATOM   1203 H HE   . ARG A 1 76  ? -29.117 -24.057 -17.367 1.00 79.55  ? 76  ARG A HE   1 
ATOM   1204 H HH11 . ARG A 1 76  ? -32.156 -22.862 -16.807 1.00 76.12  ? 76  ARG A HH11 1 
ATOM   1205 H HH12 . ARG A 1 76  ? -32.495 -22.647 -18.242 1.00 76.12  ? 76  ARG A HH12 1 
ATOM   1206 H HH21 . ARG A 1 76  ? -29.621 -23.644 -19.510 1.00 71.85  ? 76  ARG A HH21 1 
ATOM   1207 H HH22 . ARG A 1 76  ? -30.966 -23.118 -19.875 1.00 71.85  ? 76  ARG A HH22 1 
ATOM   1208 N N    . LYS A 1 77  ? -26.556 -25.640 -13.045 1.00 55.78  ? 77  LYS A N    1 
ATOM   1209 C CA   . LYS A 1 77  ? -26.038 -25.102 -11.808 1.00 59.60  ? 77  LYS A CA   1 
ATOM   1210 C C    . LYS A 1 77  ? -26.415 -23.631 -11.729 1.00 54.70  ? 77  LYS A C    1 
ATOM   1211 O O    . LYS A 1 77  ? -26.231 -22.872 -12.694 1.00 51.98  ? 77  LYS A O    1 
ATOM   1212 C CB   . LYS A 1 77  ? -24.528 -25.310 -11.771 1.00 61.77  ? 77  LYS A CB   1 
ATOM   1213 C CG   . LYS A 1 77  ? -23.839 -25.170 -10.408 1.00 68.41  ? 77  LYS A CG   1 
ATOM   1214 C CD   . LYS A 1 77  ? -22.371 -25.466 -10.634 1.00 64.66  ? 77  LYS A CD   1 
ATOM   1215 C CE   . LYS A 1 77  ? -21.502 -25.069 -9.443  1.00 78.67  ? 77  LYS A CE   1 
ATOM   1216 N NZ   . LYS A 1 77  ? -20.043 -25.130 -9.741  1.00 79.52  ? 77  LYS A NZ   1 
ATOM   1217 H H    . LYS A 1 77  ? -26.000 -25.568 -13.697 1.00 67.03  ? 77  LYS A H    1 
ATOM   1218 H HA   . LYS A 1 77  ? -26.416 -25.545 -11.032 1.00 71.61  ? 77  LYS A HA   1 
ATOM   1219 H HB2  . LYS A 1 77  ? -24.341 -26.206 -12.091 1.00 74.22  ? 77  LYS A HB2  1 
ATOM   1220 H HB3  . LYS A 1 77  ? -24.121 -24.656 -12.361 1.00 74.22  ? 77  LYS A HB3  1 
ATOM   1221 H HG2  . LYS A 1 77  ? -23.940 -24.268 -10.067 1.00 82.18  ? 77  LYS A HG2  1 
ATOM   1222 H HG3  . LYS A 1 77  ? -24.205 -25.807 -9.775  1.00 82.18  ? 77  LYS A HG3  1 
ATOM   1223 H HD2  . LYS A 1 77  ? -22.258 -26.418 -10.783 1.00 77.69  ? 77  LYS A HD2  1 
ATOM   1224 H HD3  . LYS A 1 77  ? -22.063 -24.970 -11.409 1.00 77.69  ? 77  LYS A HD3  1 
ATOM   1225 H HE2  . LYS A 1 77  ? -21.716 -24.158 -9.186  1.00 94.49  ? 77  LYS A HE2  1 
ATOM   1226 H HE3  . LYS A 1 77  ? -21.682 -25.672 -8.705  1.00 94.49  ? 77  LYS A HE3  1 
ATOM   1227 H HZ1  . LYS A 1 77  ? -19.592 -24.628 -9.161  1.00 95.52  ? 77  LYS A HZ1  1 
ATOM   1228 H HZ2  . LYS A 1 77  ? -19.755 -25.970 -9.681  1.00 95.52  ? 77  LYS A HZ2  1 
ATOM   1229 H HZ3  . LYS A 1 77  ? -19.888 -24.830 -10.564 1.00 95.52  ? 77  LYS A HZ3  1 
ATOM   1230 N N    . TYR A 1 78  ? -26.986 -23.250 -10.592 1.00 50.08  ? 78  TYR A N    1 
ATOM   1231 C CA   . TYR A 1 78  ? -27.330 -21.873 -10.287 1.00 58.93  ? 78  TYR A CA   1 
ATOM   1232 C C    . TYR A 1 78  ? -26.380 -21.320 -9.218  1.00 61.63  ? 78  TYR A C    1 
ATOM   1233 O O    . TYR A 1 78  ? -25.978 -22.027 -8.275  1.00 62.30  ? 78  TYR A O    1 
ATOM   1234 C CB   . TYR A 1 78  ? -28.780 -21.747 -9.793  1.00 57.93  ? 78  TYR A CB   1 
ATOM   1235 C CG   . TYR A 1 78  ? -29.858 -21.923 -10.822 1.00 58.79  ? 78  TYR A CG   1 
ATOM   1236 C CD1  . TYR A 1 78  ? -30.238 -23.187 -11.260 1.00 59.24  ? 78  TYR A CD1  1 
ATOM   1237 C CD2  . TYR A 1 78  ? -30.549 -20.824 -11.309 1.00 56.31  ? 78  TYR A CD2  1 
ATOM   1238 C CE1  . TYR A 1 78  ? -31.258 -23.345 -12.195 1.00 61.06  ? 78  TYR A CE1  1 
ATOM   1239 C CE2  . TYR A 1 78  ? -31.553 -20.966 -12.237 1.00 59.94  ? 78  TYR A CE2  1 
ATOM   1240 C CZ   . TYR A 1 78  ? -31.928 -22.230 -12.674 1.00 63.17  ? 78  TYR A CZ   1 
ATOM   1241 O OH   . TYR A 1 78  ? -32.974 -22.353 -13.591 1.00 74.52  ? 78  TYR A OH   1 
ATOM   1242 H H    . TYR A 1 78  ? -27.191 -23.795 -9.959  1.00 60.19  ? 78  TYR A H    1 
ATOM   1243 H HA   . TYR A 1 78  ? -27.240 -21.340 -11.092 1.00 70.81  ? 78  TYR A HA   1 
ATOM   1244 H HB2  . TYR A 1 78  ? -28.925 -22.423 -9.112  1.00 69.61  ? 78  TYR A HB2  1 
ATOM   1245 H HB3  . TYR A 1 78  ? -28.892 -20.863 -9.411  1.00 69.61  ? 78  TYR A HB3  1 
ATOM   1246 H HD1  . TYR A 1 78  ? -29.804 -23.938 -10.924 1.00 71.18  ? 78  TYR A HD1  1 
ATOM   1247 H HD2  . TYR A 1 78  ? -30.329 -19.974 -11.002 1.00 67.67  ? 78  TYR A HD2  1 
ATOM   1248 H HE1  . TYR A 1 78  ? -31.489 -24.195 -12.496 1.00 73.37  ? 78  TYR A HE1  1 
ATOM   1249 H HE2  . TYR A 1 78  ? -31.983 -20.213 -12.574 1.00 72.02  ? 78  TYR A HE2  1 
ATOM   1250 H HH   . TYR A 1 78  ? -33.164 -23.164 -13.703 1.00 89.52  ? 78  TYR A HH   1 
ATOM   1251 N N    . TYR A 1 79  ? -26.069 -20.036 -9.344  1.00 59.33  ? 79  TYR A N    1 
ATOM   1252 C CA   . TYR A 1 79  ? -25.210 -19.332 -8.409  1.00 66.55  ? 79  TYR A CA   1 
ATOM   1253 C C    . TYR A 1 79  ? -26.009 -18.263 -7.686  1.00 66.29  ? 79  TYR A C    1 
ATOM   1254 O O    . TYR A 1 79  ? -26.908 -17.628 -8.249  1.00 62.64  ? 79  TYR A O    1 
ATOM   1255 C CB   . TYR A 1 79  ? -24.019 -18.714 -9.143  1.00 69.32  ? 79  TYR A CB   1 
ATOM   1256 C CG   . TYR A 1 79  ? -23.197 -19.737 -9.880  1.00 60.28  ? 79  TYR A CG   1 
ATOM   1257 C CD1  . TYR A 1 79  ? -23.503 -20.085 -11.185 1.00 58.04  ? 79  TYR A CD1  1 
ATOM   1258 C CD2  . TYR A 1 79  ? -22.135 -20.374 -9.269  1.00 60.87  ? 79  TYR A CD2  1 
ATOM   1259 C CE1  . TYR A 1 79  ? -22.755 -21.026 -11.854 1.00 56.33  ? 79  TYR A CE1  1 
ATOM   1260 C CE2  . TYR A 1 79  ? -21.399 -21.322 -9.929  1.00 63.19  ? 79  TYR A CE2  1 
ATOM   1261 C CZ   . TYR A 1 79  ? -21.696 -21.642 -11.219 1.00 54.29  ? 79  TYR A CZ   1 
ATOM   1262 O OH   . TYR A 1 79  ? -20.940 -22.594 -11.864 1.00 68.04  ? 79  TYR A OH   1 
ATOM   1263 H H    . TYR A 1 79  ? -26.354 -19.538 -9.985  1.00 71.28  ? 79  TYR A H    1 
ATOM   1264 H HA   . TYR A 1 79  ? -24.865 -19.943 -7.739  1.00 79.95  ? 79  TYR A HA   1 
ATOM   1265 H HB2  . TYR A 1 79  ? -24.346 -18.069 -9.790  1.00 83.28  ? 79  TYR A HB2  1 
ATOM   1266 H HB3  . TYR A 1 79  ? -23.444 -18.273 -8.498  1.00 83.28  ? 79  TYR A HB3  1 
ATOM   1267 H HD1  . TYR A 1 79  ? -24.221 -19.678 -11.613 1.00 69.74  ? 79  TYR A HD1  1 
ATOM   1268 H HD2  . TYR A 1 79  ? -21.915 -20.154 -8.393  1.00 73.13  ? 79  TYR A HD2  1 
ATOM   1269 H HE1  . TYR A 1 79  ? -22.963 -21.246 -12.733 1.00 67.69  ? 79  TYR A HE1  1 
ATOM   1270 H HE2  . TYR A 1 79  ? -20.696 -21.749 -9.495  1.00 75.92  ? 79  TYR A HE2  1 
ATOM   1271 H HH   . TYR A 1 79  ? -21.156 -22.632 -12.675 1.00 81.74  ? 79  TYR A HH   1 
ATOM   1272 N N    . ARG A 1 80  ? -25.648 -18.034 -6.445  1.00 62.89  ? 80  ARG A N    1 
ATOM   1273 C CA   . ARG A 1 80  ? -26.454 -17.210 -5.572  1.00 64.32  ? 80  ARG A CA   1 
ATOM   1274 C C    . ARG A 1 80  ? -25.544 -16.328 -4.746  1.00 61.78  ? 80  ARG A C    1 
ATOM   1275 O O    . ARG A 1 80  ? -24.546 -16.808 -4.216  1.00 67.42  ? 80  ARG A O    1 
ATOM   1276 C CB   . ARG A 1 80  ? -27.261 -18.108 -4.660  1.00 75.33  ? 80  ARG A CB   1 
ATOM   1277 C CG   . ARG A 1 80  ? -27.982 -17.402 -3.544  1.00 89.84  ? 80  ARG A CG   1 
ATOM   1278 C CD   . ARG A 1 80  ? -28.721 -18.450 -2.700  1.00 72.04  ? 80  ARG A CD   1 
ATOM   1279 N NE   . ARG A 1 80  ? -29.385 -17.793 -1.588  1.00 90.65  ? 80  ARG A NE   1 
ATOM   1280 C CZ   . ARG A 1 80  ? -28.775 -17.324 -0.504  1.00 97.89  ? 80  ARG A CZ   1 
ATOM   1281 N NH1  . ARG A 1 80  ? -27.469 -17.473 -0.319  1.00 86.69  ? 80  ARG A NH1  1 
ATOM   1282 N NH2  . ARG A 1 80  ? -29.497 -16.698 0.427   1.00 108.68 ? 80  ARG A NH2  1 
ATOM   1283 H H    . ARG A 1 80  ? -24.935 -18.347 -6.080  1.00 75.56  ? 80  ARG A H    1 
ATOM   1284 H HA   . ARG A 1 80  ? -27.046 -16.632 -6.079  1.00 77.28  ? 80  ARG A HA   1 
ATOM   1285 H HB2  . ARG A 1 80  ? -27.930 -18.566 -5.194  1.00 90.49  ? 80  ARG A HB2  1 
ATOM   1286 H HB3  . ARG A 1 80  ? -26.661 -18.754 -4.256  1.00 90.49  ? 80  ARG A HB3  1 
ATOM   1287 H HG2  . ARG A 1 80  ? -27.346 -16.933 -2.982  1.00 107.90 ? 80  ARG A HG2  1 
ATOM   1288 H HG3  . ARG A 1 80  ? -28.627 -16.776 -3.909  1.00 107.90 ? 80  ARG A HG3  1 
ATOM   1289 H HD2  . ARG A 1 80  ? -29.388 -18.899 -3.243  1.00 86.54  ? 80  ARG A HD2  1 
ATOM   1290 H HD3  . ARG A 1 80  ? -28.088 -19.096 -2.350  1.00 86.54  ? 80  ARG A HD3  1 
ATOM   1291 H HE   . ARG A 1 80  ? -30.239 -17.699 -1.635  1.00 108.87 ? 80  ARG A HE   1 
ATOM   1292 H HH11 . ARG A 1 80  ? -26.995 -17.882 -0.909  1.00 104.12 ? 80  ARG A HH11 1 
ATOM   1293 H HH12 . ARG A 1 80  ? -27.097 -17.161 0.391   1.00 104.12 ? 80  ARG A HH12 1 
ATOM   1294 H HH21 . ARG A 1 80  ? -30.345 -16.602 0.321   1.00 130.51 ? 80  ARG A HH21 1 
ATOM   1295 H HH22 . ARG A 1 80  ? -29.114 -16.390 1.133   1.00 130.51 ? 80  ARG A HH22 1 
ATOM   1296 N N    . LEU A 1 81  ? -25.910 -15.067 -4.602  1.00 63.96  ? 81  LEU A N    1 
ATOM   1297 C CA   . LEU A 1 81  ? -25.184 -14.170 -3.718  1.00 69.24  ? 81  LEU A CA   1 
ATOM   1298 C C    . LEU A 1 81  ? -25.639 -14.381 -2.280  1.00 89.45  ? 81  LEU A C    1 
ATOM   1299 O O    . LEU A 1 81  ? -26.833 -14.280 -1.990  1.00 97.23  ? 81  LEU A O    1 
ATOM   1300 C CB   . LEU A 1 81  ? -25.408 -12.731 -4.168  1.00 74.65  ? 81  LEU A CB   1 
ATOM   1301 C CG   . LEU A 1 81  ? -24.937 -11.620 -3.232  1.00 79.62  ? 81  LEU A CG   1 
ATOM   1302 C CD1  . LEU A 1 81  ? -23.472 -11.741 -2.920  1.00 72.80  ? 81  LEU A CD1  1 
ATOM   1303 C CD2  . LEU A 1 81  ? -25.268 -10.243 -3.788  1.00 71.73  ? 81  LEU A CD2  1 
ATOM   1304 H H    . LEU A 1 81  ? -26.577 -14.704 -5.005  1.00 76.84  ? 81  LEU A H    1 
ATOM   1305 H HA   . LEU A 1 81  ? -24.234 -14.361 -3.753  1.00 83.18  ? 81  LEU A HA   1 
ATOM   1306 H HB2  . LEU A 1 81  ? -24.941 -12.607 -5.009  1.00 89.67  ? 81  LEU A HB2  1 
ATOM   1307 H HB3  . LEU A 1 81  ? -26.362 -12.606 -4.296  1.00 89.67  ? 81  LEU A HB3  1 
ATOM   1308 H HG   . LEU A 1 81  ? -25.418 -11.716 -2.395  1.00 95.64  ? 81  LEU A HG   1 
ATOM   1309 H HD11 . LEU A 1 81  ? -23.210 -11.005 -2.345  1.00 87.45  ? 81  LEU A HD11 1 
ATOM   1310 H HD12 . LEU A 1 81  ? -23.314 -12.585 -2.469  1.00 87.45  ? 81  LEU A HD12 1 
ATOM   1311 H HD13 . LEU A 1 81  ? -22.969 -11.709 -3.749  1.00 87.45  ? 81  LEU A HD13 1 
ATOM   1312 H HD21 . LEU A 1 81  ? -24.913 -9.567  -3.189  1.00 86.17  ? 81  LEU A HD21 1 
ATOM   1313 H HD22 . LEU A 1 81  ? -24.865 -10.152 -4.665  1.00 86.17  ? 81  LEU A HD22 1 
ATOM   1314 H HD23 . LEU A 1 81  ? -26.231 -10.152 -3.855  1.00 86.17  ? 81  LEU A HD23 1 
ATOM   1315 N N    . THR A 1 82  ? -24.699 -14.701 -1.394  1.00 82.54  ? 82  THR A N    1 
ATOM   1316 C CA   . THR A 1 82  ? -24.989 -14.883 0.025   1.00 87.44  ? 82  THR A CA   1 
ATOM   1317 C C    . THR A 1 82  ? -25.177 -13.540 0.742   1.00 80.82  ? 82  THR A C    1 
ATOM   1318 O O    . THR A 1 82  ? -24.819 -12.472 0.240   1.00 74.98  ? 82  THR A O    1 
ATOM   1319 C CB   . THR A 1 82  ? -23.870 -15.650 0.727   1.00 90.59  ? 82  THR A CB   1 
ATOM   1320 O OG1  . THR A 1 82  ? -22.638 -14.938 0.573   1.00 88.00  ? 82  THR A OG1  1 
ATOM   1321 C CG2  . THR A 1 82  ? -23.729 -17.029 0.149   1.00 78.56  ? 82  THR A CG2  1 
ATOM   1322 H H    . THR A 1 82  ? -23.871 -14.821 -1.593  1.00 99.14  ? 82  THR A H    1 
ATOM   1323 H HA   . THR A 1 82  ? -25.812 -15.392 0.092   1.00 105.02 ? 82  THR A HA   1 
ATOM   1324 H HB   . THR A 1 82  ? -24.078 -15.739 1.670   1.00 108.81 ? 82  THR A HB   1 
ATOM   1325 H HG1  . THR A 1 82  ? -21.989 -15.453 0.713   1.00 105.69 ? 82  THR A HG1  1 
ATOM   1326 H HG21 . THR A 1 82  ? -23.061 -17.529 0.643   1.00 94.37  ? 82  THR A HG21 1 
ATOM   1327 H HG22 . THR A 1 82  ? -24.576 -17.498 0.201   1.00 94.37  ? 82  THR A HG22 1 
ATOM   1328 H HG23 . THR A 1 82  ? -23.456 -16.973 -0.780  1.00 94.37  ? 82  THR A HG23 1 
ATOM   1329 N N    . GLU A 1 83  ? -25.792 -13.616 1.932   1.00 83.96  ? 83  GLU A N    1 
ATOM   1330 C CA   . GLU A 1 83  ? -25.938 -12.423 2.762   1.00 89.08  ? 83  GLU A CA   1 
ATOM   1331 C C    . GLU A 1 83  ? -24.570 -11.912 3.170   1.00 92.63  ? 83  GLU A C    1 
ATOM   1332 O O    . GLU A 1 83  ? -24.283 -10.701 3.116   1.00 94.08  ? 83  GLU A O    1 
ATOM   1333 C CB   . GLU A 1 83  ? -26.767 -12.731 4.018   1.00 91.93  ? 83  GLU A CB   1 
ATOM   1334 C CG   . GLU A 1 83  ? -27.178 -11.473 4.823   1.00 103.52 ? 83  GLU A CG   1 
ATOM   1335 C CD   . GLU A 1 83  ? -28.031 -11.778 6.065   1.00 107.25 ? 83  GLU A CD   1 
ATOM   1336 O OE1  . GLU A 1 83  ? -28.378 -12.958 6.292   1.00 100.40 ? 83  GLU A OE1  1 
ATOM   1337 O OE2  . GLU A 1 83  ? -28.371 -10.828 6.805   1.00 102.17 ? 83  GLU A OE2  1 
ATOM   1338 H H    . GLU A 1 83  ? -26.124 -14.333 2.270   1.00 100.84 ? 83  GLU A H    1 
ATOM   1339 H HA   . GLU A 1 83  ? -26.410 -11.743 2.256   1.00 106.99 ? 83  GLU A HA   1 
ATOM   1340 H HB2  . GLU A 1 83  ? -27.579 -13.189 3.750   1.00 110.41 ? 83  GLU A HB2  1 
ATOM   1341 H HB3  . GLU A 1 83  ? -26.243 -13.299 4.604   1.00 110.41 ? 83  GLU A HB3  1 
ATOM   1342 H HG2  . GLU A 1 83  ? -26.375 -11.018 5.121   1.00 124.31 ? 83  GLU A HG2  1 
ATOM   1343 H HG3  . GLU A 1 83  ? -27.695 -10.889 4.246   1.00 124.31 ? 83  GLU A HG3  1 
ATOM   1344 N N    . ILE A 1 84  ? -23.690 -12.846 3.526   1.00 96.16  ? 84  ILE A N    1 
ATOM   1345 C CA   . ILE A 1 84  ? -22.333 -12.483 3.908   1.00 98.56  ? 84  ILE A CA   1 
ATOM   1346 C C    . ILE A 1 84  ? -21.588 -11.882 2.725   1.00 94.78  ? 84  ILE A C    1 
ATOM   1347 O O    . ILE A 1 84  ? -20.814 -10.936 2.888   1.00 96.04  ? 84  ILE A O    1 
ATOM   1348 C CB   . ILE A 1 84  ? -21.614 -13.717 4.478   1.00 99.76  ? 84  ILE A CB   1 
ATOM   1349 C CG1  . ILE A 1 84  ? -21.441 -14.798 3.405   1.00 104.79 ? 84  ILE A CG1  1 
ATOM   1350 C CG2  . ILE A 1 84  ? -22.449 -14.378 5.587   1.00 98.65  ? 84  ILE A CG2  1 
ATOM   1351 C CD1  . ILE A 1 84  ? -20.638 -16.016 3.858   1.00 106.10 ? 84  ILE A CD1  1 
ATOM   1352 H H    . ILE A 1 84  ? -23.854 -13.690 3.554   1.00 115.49 ? 84  ILE A H    1 
ATOM   1353 H HA   . ILE A 1 84  ? -22.368 -11.805 4.600   1.00 118.36 ? 84  ILE A HA   1 
ATOM   1354 H HB   . ILE A 1 84  ? -20.760 -13.397 4.808   1.00 119.80 ? 84  ILE A HB   1 
ATOM   1355 H HG12 . ILE A 1 84  ? -22.320 -15.110 3.137   1.00 125.84 ? 84  ILE A HG12 1 
ATOM   1356 H HG13 . ILE A 1 84  ? -20.980 -14.409 2.646   1.00 125.84 ? 84  ILE A HG13 1 
ATOM   1357 H HG21 . ILE A 1 84  ? -21.872 -14.946 6.121   1.00 118.47 ? 84  ILE A HG21 1 
ATOM   1358 H HG22 . ILE A 1 84  ? -22.839 -13.686 6.144   1.00 118.47 ? 84  ILE A HG22 1 
ATOM   1359 H HG23 . ILE A 1 84  ? -23.151 -14.910 5.180   1.00 118.47 ? 84  ILE A HG23 1 
ATOM   1360 H HD11 . ILE A 1 84  ? -20.284 -16.469 3.077   1.00 127.41 ? 84  ILE A HD11 1 
ATOM   1361 H HD12 . ILE A 1 84  ? -19.910 -15.721 4.427   1.00 127.41 ? 84  ILE A HD12 1 
ATOM   1362 H HD13 . ILE A 1 84  ? -21.222 -16.614 4.351   1.00 127.41 ? 84  ILE A HD13 1 
ATOM   1363 N N    . GLY A 1 85  ? -21.842 -12.380 1.514   1.00 117.77 ? 85  GLY A N    1 
ATOM   1364 C CA   . GLY A 1 85  ? -21.227 -11.772 0.349   1.00 92.78  ? 85  GLY A CA   1 
ATOM   1365 C C    . GLY A 1 85  ? -21.645 -10.327 0.188   1.00 96.81  ? 85  GLY A C    1 
ATOM   1366 O O    . GLY A 1 85  ? -20.808 -9.442  0.008   1.00 97.54  ? 85  GLY A O    1 
ATOM   1367 H H    . GLY A 1 85  ? -22.353 -13.052 1.349   1.00 141.41 ? 85  GLY A H    1 
ATOM   1368 H HA2  . GLY A 1 85  ? -20.262 -11.807 0.437   1.00 111.43 ? 85  GLY A HA2  1 
ATOM   1369 H HA3  . GLY A 1 85  ? -21.490 -12.260 -0.447  1.00 111.43 ? 85  GLY A HA3  1 
ATOM   1370 N N    . HIS A 1 86  ? -22.951 -10.068 0.269   1.00 85.01  ? 86  HIS A N    1 
ATOM   1371 C CA   . HIS A 1 86  ? -23.460 -8.701  0.144   1.00 87.61  ? 86  HIS A CA   1 
ATOM   1372 C C    . HIS A 1 86  ? -22.796 -7.768  1.152   1.00 85.72  ? 86  HIS A C    1 
ATOM   1373 O O    . HIS A 1 86  ? -22.399 -6.649  0.804   1.00 81.38  ? 86  HIS A O    1 
ATOM   1374 C CB   . HIS A 1 86  ? -24.982 -8.692  0.302   1.00 85.61  ? 86  HIS A CB   1 
ATOM   1375 C CG   . HIS A 1 86  ? -25.660 -7.530  -0.360  1.00 90.44  ? 86  HIS A CG   1 
ATOM   1376 N ND1  . HIS A 1 86  ? -26.982 -7.571  -0.750  1.00 93.59  ? 86  HIS A ND1  1 
ATOM   1377 C CD2  . HIS A 1 86  ? -25.206 -6.303  -0.701  1.00 90.78  ? 86  HIS A CD2  1 
ATOM   1378 C CE1  . HIS A 1 86  ? -27.310 -6.423  -1.313  1.00 92.00  ? 86  HIS A CE1  1 
ATOM   1379 N NE2  . HIS A 1 86  ? -26.250 -5.635  -1.296  1.00 94.58  ? 86  HIS A NE2  1 
ATOM   1380 H H    . HIS A 1 86  ? -23.561 -10.661 0.395   1.00 102.10 ? 86  HIS A H    1 
ATOM   1381 H HA   . HIS A 1 86  ? -23.254 -8.368  -0.744  1.00 105.22 ? 86  HIS A HA   1 
ATOM   1382 H HB2  . HIS A 1 86  ? -25.339 -9.503  -0.090  1.00 102.82 ? 86  HIS A HB2  1 
ATOM   1383 H HB3  . HIS A 1 86  ? -25.195 -8.658  1.247   1.00 102.82 ? 86  HIS A HB3  1 
ATOM   1384 H HD2  . HIS A 1 86  ? -24.348 -5.972  -0.560  1.00 109.02 ? 86  HIS A HD2  1 
ATOM   1385 H HE1  . HIS A 1 86  ? -28.145 -6.206  -1.661  1.00 110.50 ? 86  HIS A HE1  1 
ATOM   1386 H HE2  . HIS A 1 86  ? -26.218 -4.834  -1.607  1.00 113.59 ? 86  HIS A HE2  1 
ATOM   1387 N N    . GLU A 1 87  ? -22.674 -8.202  2.412   1.00 87.19  ? 87  GLU A N    1 
ATOM   1388 C CA   . GLU A 1 87  ? -22.017 -7.346  3.396   1.00 83.52  ? 87  GLU A CA   1 
ATOM   1389 C C    . GLU A 1 87  ? -20.538 -7.159  3.085   1.00 84.60  ? 87  GLU A C    1 
ATOM   1390 O O    . GLU A 1 87  ? -20.014 -6.051  3.249   1.00 81.27  ? 87  GLU A O    1 
ATOM   1391 C CB   . GLU A 1 87  ? -22.222 -7.917  4.786   1.00 87.42  ? 87  GLU A CB   1 
ATOM   1392 C CG   . GLU A 1 87  ? -23.638 -7.741  5.274   1.00 91.95  ? 87  GLU A CG   1 
ATOM   1393 C CD   . GLU A 1 87  ? -23.937 -6.299  5.687   1.00 100.96 ? 87  GLU A CD   1 
ATOM   1394 O OE1  . GLU A 1 87  ? -23.006 -5.449  5.717   1.00 90.19  ? 87  GLU A OE1  1 
ATOM   1395 O OE2  . GLU A 1 87  ? -25.123 -6.015  5.966   1.00 96.89  ? 87  GLU A OE2  1 
ATOM   1396 H H    . GLU A 1 87  ? -22.953 -8.960  2.708   1.00 104.72 ? 87  GLU A H    1 
ATOM   1397 H HA   . GLU A 1 87  ? -22.424 -6.466  3.372   1.00 100.32 ? 87  GLU A HA   1 
ATOM   1398 H HB2  . GLU A 1 87  ? -22.023 -8.866  4.771   1.00 105.00 ? 87  GLU A HB2  1 
ATOM   1399 H HB3  . GLU A 1 87  ? -21.630 -7.463  5.406   1.00 105.00 ? 87  GLU A HB3  1 
ATOM   1400 H HG2  . GLU A 1 87  ? -24.251 -7.985  4.564   1.00 110.43 ? 87  GLU A HG2  1 
ATOM   1401 H HG3  . GLU A 1 87  ? -23.780 -8.312  6.046   1.00 110.43 ? 87  GLU A HG3  1 
ATOM   1402 N N    . ASN A 1 88  ? -19.840 -8.240  2.685   1.00 77.64  ? 88  ASN A N    1 
ATOM   1403 C CA   . ASN A 1 88  ? -18.438 -8.116  2.269   1.00 79.43  ? 88  ASN A CA   1 
ATOM   1404 C C    . ASN A 1 88  ? -18.285 -7.065  1.189   1.00 75.98  ? 88  ASN A C    1 
ATOM   1405 O O    . ASN A 1 88  ? -17.315 -6.289  1.188   1.00 75.67  ? 88  ASN A O    1 
ATOM   1406 C CB   . ASN A 1 88  ? -17.888 -9.437  1.696   1.00 82.70  ? 88  ASN A CB   1 
ATOM   1407 C CG   . ASN A 1 88  ? -17.485 -10.434 2.772   1.00 94.03  ? 88  ASN A CG   1 
ATOM   1408 O OD1  . ASN A 1 88  ? -16.718 -10.120 3.681   1.00 102.16 ? 88  ASN A OD1  1 
ATOM   1409 N ND2  . ASN A 1 88  ? -18.026 -11.633 2.686   1.00 97.46  ? 88  ASN A ND2  1 
ATOM   1410 H H    . ASN A 1 88  ? -20.153 -9.040  2.647   1.00 93.26  ? 88  ASN A H    1 
ATOM   1411 H HA   . ASN A 1 88  ? -17.932 -7.882  3.062   1.00 95.41  ? 88  ASN A HA   1 
ATOM   1412 H HB2  . ASN A 1 88  ? -18.572 -9.851  1.147   1.00 99.33  ? 88  ASN A HB2  1 
ATOM   1413 H HB3  . ASN A 1 88  ? -17.103 -9.245  1.159   1.00 99.33  ? 88  ASN A HB3  1 
ATOM   1414 H HD21 . ASN A 1 88  ? -17.833 -12.235 3.269   1.00 117.04 ? 88  ASN A HD21 1 
ATOM   1415 H HD22 . ASN A 1 88  ? -18.572 -11.814 2.047   1.00 117.04 ? 88  ASN A HD22 1 
ATOM   1416 N N    . MET A 1 89  ? -19.248 -7.025  0.265   1.00 77.34  ? 89  MET A N    1 
ATOM   1417 C CA   . MET A 1 89  ? -19.180 -6.166  -0.903  1.00 73.92  ? 89  MET A CA   1 
ATOM   1418 C C    . MET A 1 89  ? -19.795 -4.799  -0.672  1.00 71.76  ? 89  MET A C    1 
ATOM   1419 O O    . MET A 1 89  ? -19.653 -3.926  -1.542  1.00 64.15  ? 89  MET A O    1 
ATOM   1420 C CB   . MET A 1 89  ? -19.920 -6.793  -2.089  1.00 70.72  ? 89  MET A CB   1 
ATOM   1421 C CG   . MET A 1 89  ? -19.418 -8.139  -2.499  1.00 68.86  ? 89  MET A CG   1 
ATOM   1422 S SD   . MET A 1 89  ? -17.657 -8.213  -2.718  1.00 69.14  ? 89  MET A SD   1 
ATOM   1423 C CE   . MET A 1 89  ? -17.425 -6.858  -3.902  1.00 56.54  ? 89  MET A CE   1 
ATOM   1424 H H    . MET A 1 89  ? -19.965 -7.500  0.299   1.00 92.90  ? 89  MET A H    1 
ATOM   1425 H HA   . MET A 1 89  ? -18.242 -6.077  -1.133  1.00 88.79  ? 89  MET A HA   1 
ATOM   1426 H HB2  . MET A 1 89  ? -20.855 -6.890  -1.852  1.00 84.96  ? 89  MET A HB2  1 
ATOM   1427 H HB3  . MET A 1 89  ? -19.831 -6.203  -2.854  1.00 84.96  ? 89  MET A HB3  1 
ATOM   1428 H HG2  . MET A 1 89  ? -19.658 -8.783  -1.815  1.00 82.73  ? 89  MET A HG2  1 
ATOM   1429 H HG3  . MET A 1 89  ? -19.831 -8.382  -3.343  1.00 82.73  ? 89  MET A HG3  1 
ATOM   1430 H HE1  . MET A 1 89  ? -16.501 -6.853  -4.199  1.00 67.94  ? 89  MET A HE1  1 
ATOM   1431 H HE2  . MET A 1 89  ? -18.016 -6.994  -4.658  1.00 67.94  ? 89  MET A HE2  1 
ATOM   1432 H HE3  . MET A 1 89  ? -17.635 -6.017  -3.465  1.00 67.94  ? 89  MET A HE3  1 
ATOM   1433 N N    . ARG A 1 90  ? -20.501 -4.602  0.447   1.00 77.76  ? 90  ARG A N    1 
ATOM   1434 C CA   . ARG A 1 90  ? -21.236 -3.353  0.630   1.00 78.03  ? 90  ARG A CA   1 
ATOM   1435 C C    . ARG A 1 90  ? -20.296 -2.167  0.411   1.00 66.19  ? 90  ARG A C    1 
ATOM   1436 O O    . ARG A 1 90  ? -20.556 -1.295  -0.423  1.00 59.23  ? 90  ARG A O    1 
ATOM   1437 C CB   . ARG A 1 90  ? -21.883 -3.313  2.034   1.00 84.16  ? 90  ARG A CB   1 
ATOM   1438 C CG   . ARG A 1 90  ? -22.930 -2.141  2.272   1.00 88.12  ? 90  ARG A CG   1 
ATOM   1439 C CD   . ARG A 1 90  ? -23.545 -2.169  3.678   1.00 79.28  ? 90  ARG A CD   1 
ATOM   1440 N NE   . ARG A 1 90  ? -24.159 -3.479  3.803   1.00 87.36  ? 90  ARG A NE   1 
ATOM   1441 C CZ   . ARG A 1 90  ? -25.243 -3.876  3.150   1.00 88.85  ? 90  ARG A CZ   1 
ATOM   1442 N NH1  . ARG A 1 90  ? -26.017 -3.019  2.505   1.00 88.82  ? 90  ARG A NH1  1 
ATOM   1443 N NH2  . ARG A 1 90  ? -25.528 -5.177  3.096   1.00 95.04  ? 90  ARG A NH2  1 
ATOM   1444 H H    . ARG A 1 90  ? -20.567 -5.162  1.096   1.00 93.41  ? 90  ARG A H    1 
ATOM   1445 H HA   . ARG A 1 90  ? -21.960 -3.298  -0.014  1.00 93.73  ? 90  ARG A HA   1 
ATOM   1446 H HB2  . ARG A 1 90  ? -22.351 -4.151  2.179   1.00 101.09 ? 90  ARG A HB2  1 
ATOM   1447 H HB3  . ARG A 1 90  ? -21.178 -3.209  2.692   1.00 101.09 ? 90  ARG A HB3  1 
ATOM   1448 H HG2  . ARG A 1 90  ? -22.481 -1.288  2.158   1.00 105.83 ? 90  ARG A HG2  1 
ATOM   1449 H HG3  . ARG A 1 90  ? -23.650 -2.224  1.628   1.00 105.83 ? 90  ARG A HG3  1 
ATOM   1450 H HD2  . ARG A 1 90  ? -22.860 -2.059  4.356   1.00 95.23  ? 90  ARG A HD2  1 
ATOM   1451 H HD3  . ARG A 1 90  ? -24.219 -1.478  3.773   1.00 95.23  ? 90  ARG A HD3  1 
ATOM   1452 H HE   . ARG A 1 90  ? -23.792 -4.039  4.342   1.00 104.92 ? 90  ARG A HE   1 
ATOM   1453 H HH11 . ARG A 1 90  ? -26.715 -3.299  2.088   1.00 106.68 ? 90  ARG A HH11 1 
ATOM   1454 H HH12 . ARG A 1 90  ? -25.822 -2.182  2.503   1.00 106.68 ? 90  ARG A HH12 1 
ATOM   1455 H HH21 . ARG A 1 90  ? -25.012 -5.746  3.482   1.00 114.14 ? 90  ARG A HH21 1 
ATOM   1456 H HH22 . ARG A 1 90  ? -26.228 -5.446  2.676   1.00 114.14 ? 90  ARG A HH22 1 
ATOM   1457 N N    . LEU A 1 91  ? -19.158 -2.138  1.114   1.00 66.99  ? 91  LEU A N    1 
ATOM   1458 C CA   . LEU A 1 91  ? -18.267 -0.978  0.992   1.00 62.38  ? 91  LEU A CA   1 
ATOM   1459 C C    . LEU A 1 91  ? -17.780 -0.785  -0.449  1.00 62.56  ? 91  LEU A C    1 
ATOM   1460 O O    . LEU A 1 91  ? -17.723 0.360   -0.946  1.00 64.56  ? 91  LEU A O    1 
ATOM   1461 C CB   . LEU A 1 91  ? -17.051 -1.144  1.909   1.00 67.53  ? 91  LEU A CB   1 
ATOM   1462 C CG   . LEU A 1 91  ? -15.850 -0.212  1.641   1.00 65.46  ? 91  LEU A CG   1 
ATOM   1463 C CD1  . LEU A 1 91  ? -16.123 1.314   1.773   1.00 64.54  ? 91  LEU A CD1  1 
ATOM   1464 C CD2  . LEU A 1 91  ? -14.633 -0.557  2.555   1.00 66.76  ? 91  LEU A CD2  1 
ATOM   1465 H H    . LEU A 1 91  ? -18.888 -2.754  1.649   1.00 80.48  ? 91  LEU A H    1 
ATOM   1466 H HA   . LEU A 1 91  ? -18.765 -0.191  1.263   1.00 74.95  ? 91  LEU A HA   1 
ATOM   1467 H HB2  . LEU A 1 91  ? -17.339 -0.982  2.821   1.00 81.13  ? 91  LEU A HB2  1 
ATOM   1468 H HB3  . LEU A 1 91  ? -16.730 -2.055  1.819   1.00 81.13  ? 91  LEU A HB3  1 
ATOM   1469 H HG   . LEU A 1 91  ? -15.649 -0.378  0.706   1.00 78.65  ? 91  LEU A HG   1 
ATOM   1470 H HD11 . LEU A 1 91  ? -15.299 1.798   1.606   1.00 77.53  ? 91  LEU A HD11 1 
ATOM   1471 H HD12 . LEU A 1 91  ? -16.796 1.572   1.124   1.00 77.53  ? 91  LEU A HD12 1 
ATOM   1472 H HD13 . LEU A 1 91  ? -16.439 1.502   2.671   1.00 77.53  ? 91  LEU A HD13 1 
ATOM   1473 H HD21 . LEU A 1 91  ? -13.899 0.040   2.342   1.00 80.21  ? 91  LEU A HD21 1 
ATOM   1474 H HD22 . LEU A 1 91  ? -14.893 -0.444  3.482   1.00 80.21  ? 91  LEU A HD22 1 
ATOM   1475 H HD23 . LEU A 1 91  ? -14.368 -1.477  2.395   1.00 80.21  ? 91  LEU A HD23 1 
ATOM   1476 N N    . ALA A 1 92  ? -17.395 -1.891  -1.116  1.00 53.43  ? 92  ALA A N    1 
ATOM   1477 C CA   . ALA A 1 92  ? -16.914 -1.832  -2.495  1.00 52.04  ? 92  ALA A CA   1 
ATOM   1478 C C    . ALA A 1 92  ? -17.999 -1.335  -3.444  1.00 56.26  ? 92  ALA A C    1 
ATOM   1479 O O    . ALA A 1 92  ? -17.702 -0.577  -4.373  1.00 48.01  ? 92  ALA A O    1 
ATOM   1480 C CB   . ALA A 1 92  ? -16.391 -3.199  -2.922  1.00 53.16  ? 92  ALA A CB   1 
ATOM   1481 H H    . ALA A 1 92  ? -17.406 -2.685  -0.786  1.00 64.21  ? 92  ALA A H    1 
ATOM   1482 H HA   . ALA A 1 92  ? -16.176 -1.205  -2.545  1.00 62.55  ? 92  ALA A HA   1 
ATOM   1483 H HB1  . ALA A 1 92  ? -16.040 -3.135  -3.824  1.00 63.89  ? 92  ALA A HB1  1 
ATOM   1484 H HB2  . ALA A 1 92  ? -15.688 -3.472  -2.312  1.00 63.89  ? 92  ALA A HB2  1 
ATOM   1485 H HB3  . ALA A 1 92  ? -17.120 -3.838  -2.895  1.00 63.89  ? 92  ALA A HB3  1 
ATOM   1486 N N    . PHE A 1 93  ? -19.271 -1.723  -3.214  1.00 58.82  ? 93  PHE A N    1 
ATOM   1487 C CA   . PHE A 1 93  ? -20.360 -1.246  -4.083  1.00 61.24  ? 93  PHE A CA   1 
ATOM   1488 C C    . PHE A 1 93  ? -20.636 0.249   -3.885  1.00 61.52  ? 93  PHE A C    1 
ATOM   1489 O O    . PHE A 1 93  ? -20.840 0.989   -4.863  1.00 59.34  ? 93  PHE A O    1 
ATOM   1490 C CB   . PHE A 1 93  ? -21.667 -2.030  -3.853  1.00 60.79  ? 93  PHE A CB   1 
ATOM   1491 C CG   . PHE A 1 93  ? -21.713 -3.366  -4.532  1.00 62.92  ? 93  PHE A CG   1 
ATOM   1492 C CD1  . PHE A 1 93  ? -20.943 -3.629  -5.658  1.00 59.81  ? 93  PHE A CD1  1 
ATOM   1493 C CD2  . PHE A 1 93  ? -22.566 -4.337  -4.082  1.00 67.97  ? 93  PHE A CD2  1 
ATOM   1494 C CE1  . PHE A 1 93  ? -20.989 -4.871  -6.279  1.00 59.35  ? 93  PHE A CE1  1 
ATOM   1495 C CE2  . PHE A 1 93  ? -22.608 -5.559  -4.712  1.00 68.67  ? 93  PHE A CE2  1 
ATOM   1496 C CZ   . PHE A 1 93  ? -21.802 -5.824  -5.799  1.00 61.16  ? 93  PHE A CZ   1 
ATOM   1497 H H    . PHE A 1 93  ? -19.520 -2.246  -2.579  1.00 70.68  ? 93  PHE A H    1 
ATOM   1498 H HA   . PHE A 1 93  ? -20.068 -1.403  -4.995  1.00 73.58  ? 93  PHE A HA   1 
ATOM   1499 H HB2  . PHE A 1 93  ? -21.774 -2.180  -2.901  1.00 73.04  ? 93  PHE A HB2  1 
ATOM   1500 H HB3  . PHE A 1 93  ? -22.407 -1.503  -4.192  1.00 73.04  ? 93  PHE A HB3  1 
ATOM   1501 H HD1  . PHE A 1 93  ? -20.389 -2.965  -6.001  1.00 71.86  ? 93  PHE A HD1  1 
ATOM   1502 H HD2  . PHE A 1 93  ? -23.116 -4.171  -3.351  1.00 81.66  ? 93  PHE A HD2  1 
ATOM   1503 H HE1  . PHE A 1 93  ? -20.459 -5.040  -7.024  1.00 71.31  ? 93  PHE A HE1  1 
ATOM   1504 H HE2  . PHE A 1 93  ? -23.188 -6.215  -4.401  1.00 82.50  ? 93  PHE A HE2  1 
ATOM   1505 H HZ   . PHE A 1 93  ? -21.822 -6.663  -6.199  1.00 73.48  ? 93  PHE A HZ   1 
ATOM   1506 N N    . GLU A 1 94  ? -20.709 0.709   -2.623  1.00 56.31  ? 94  GLU A N    1 
ATOM   1507 C CA   . GLU A 1 94  ? -20.959 2.139   -2.351  1.00 49.24  ? 94  GLU A CA   1 
ATOM   1508 C C    . GLU A 1 94  ? -19.889 3.022   -3.018  1.00 52.08  ? 94  GLU A C    1 
ATOM   1509 O O    . GLU A 1 94  ? -20.212 4.000   -3.747  1.00 48.68  ? 94  GLU A O    1 
ATOM   1510 C CB   . GLU A 1 94  ? -20.985 2.416   -0.836  1.00 53.40  ? 94  GLU A CB   1 
ATOM   1511 C CG   . GLU A 1 94  ? -22.105 1.709   -0.048  1.00 59.61  ? 94  GLU A CG   1 
ATOM   1512 C CD   . GLU A 1 94  ? -21.988 1.804   1.464   1.00 56.98  ? 94  GLU A CD   1 
ATOM   1513 O OE1  . GLU A 1 94  ? -20.976 2.297   1.972   1.00 56.80  ? 94  GLU A OE1  1 
ATOM   1514 O OE2  . GLU A 1 94  ? -22.934 1.397   2.173   1.00 57.61  ? 94  GLU A OE2  1 
ATOM   1515 H H    . GLU A 1 94  ? -20.620 0.224   -1.918  1.00 67.66  ? 94  GLU A H    1 
ATOM   1516 H HA   . GLU A 1 94  ? -21.830 2.363   -2.715  1.00 59.04  ? 94  GLU A HA   1 
ATOM   1517 H HB2  . GLU A 1 94  ? -20.140 2.125   -0.459  1.00 64.17  ? 94  GLU A HB2  1 
ATOM   1518 H HB3  . GLU A 1 94  ? -21.097 3.370   -0.702  1.00 64.17  ? 94  GLU A HB3  1 
ATOM   1519 H HG2  . GLU A 1 94  ? -22.954 2.105   -0.298  1.00 71.63  ? 94  GLU A HG2  1 
ATOM   1520 H HG3  . GLU A 1 94  ? -22.097 0.767   -0.281  1.00 71.63  ? 94  GLU A HG3  1 
ATOM   1521 N N    . SER A 1 95  ? -18.593 2.630   -2.822  1.00 48.20  ? 95  SER A N    1 
ATOM   1522 C CA   . SER A 1 95  ? -17.482 3.330   -3.470  1.00 49.00  ? 95  SER A CA   1 
ATOM   1523 C C    . SER A 1 95  ? -17.638 3.287   -4.988  1.00 47.24  ? 95  SER A C    1 
ATOM   1524 O O    . SER A 1 95  ? -17.480 4.326   -5.653  1.00 47.32  ? 95  SER A O    1 
ATOM   1525 C CB   . SER A 1 95  ? -16.134 2.735   -2.997  1.00 48.03  ? 95  SER A CB   1 
ATOM   1526 O OG   . SER A 1 95  ? -16.012 2.944   -1.569  1.00 48.99  ? 95  SER A OG   1 
ATOM   1527 H H    . SER A 1 95  ? -18.351 1.972   -2.325  1.00 57.38  ? 95  SER A H    1 
ATOM   1528 H HA   . SER A 1 95  ? -17.477 4.264   -3.207  1.00 58.89  ? 95  SER A HA   1 
ATOM   1529 H HB2  . SER A 1 95  ? -16.114 1.784   -3.189  1.00 57.17  ? 95  SER A HB2  1 
ATOM   1530 H HB3  . SER A 1 95  ? -15.404 3.180   -3.455  1.00 57.17  ? 95  SER A HB3  1 
ATOM   1531 H HG   . SER A 1 95  ? -16.624 2.535   -1.166  1.00 58.33  ? 95  SER A HG   1 
ATOM   1532 N N    . TRP A 1 96  ? -18.000 2.117   -5.558  1.00 46.96  ? 96  TRP A N    1 
ATOM   1533 C CA   . TRP A 1 96  ? -18.169 2.082   -7.012  1.00 46.76  ? 96  TRP A CA   1 
ATOM   1534 C C    . TRP A 1 96  ? -19.161 3.155   -7.423  1.00 47.10  ? 96  TRP A C    1 
ATOM   1535 O O    . TRP A 1 96  ? -19.001 3.829   -8.450  1.00 47.20  ? 96  TRP A O    1 
ATOM   1536 C CB   . TRP A 1 96  ? -18.648 0.710   -7.563  1.00 46.95  ? 96  TRP A CB   1 
ATOM   1537 C CG   . TRP A 1 96  ? -18.018 0.551   -8.877  1.00 47.89  ? 96  TRP A CG   1 
ATOM   1538 C CD1  . TRP A 1 96  ? -18.200 1.355   -9.959  1.00 47.45  ? 96  TRP A CD1  1 
ATOM   1539 C CD2  . TRP A 1 96  ? -16.995 -0.393  -9.237  1.00 47.27  ? 96  TRP A CD2  1 
ATOM   1540 N NE1  . TRP A 1 96  ? -17.342 0.966   -10.976 1.00 48.56  ? 96  TRP A NE1  1 
ATOM   1541 C CE2  . TRP A 1 96  ? -16.593 -0.098  -10.558 1.00 47.52  ? 96  TRP A CE2  1 
ATOM   1542 C CE3  . TRP A 1 96  ? -16.429 -1.493  -8.587  1.00 48.85  ? 96  TRP A CE3  1 
ATOM   1543 C CZ2  . TRP A 1 96  ? -15.648 -0.872  -11.252 1.00 48.25  ? 96  TRP A CZ2  1 
ATOM   1544 C CZ3  . TRP A 1 96  ? -15.512 -2.244  -9.247  1.00 48.46  ? 96  TRP A CZ3  1 
ATOM   1545 C CH2  . TRP A 1 96  ? -15.107 -1.924  -10.581 1.00 48.74  ? 96  TRP A CH2  1 
ATOM   1546 H H    . TRP A 1 96  ? -18.143 1.377   -5.144  1.00 55.89  ? 96  TRP A H    1 
ATOM   1547 H HA   . TRP A 1 96  ? -17.293 2.227   -7.402  1.00 55.64  ? 96  TRP A HA   1 
ATOM   1548 H HB2  . TRP A 1 96  ? -18.367 -0.009  -6.976  1.00 55.88  ? 96  TRP A HB2  1 
ATOM   1549 H HB3  . TRP A 1 96  ? -19.613 0.701   -7.659  1.00 55.88  ? 96  TRP A HB3  1 
ATOM   1550 H HD1  . TRP A 1 96  ? -18.806 2.058   -10.009 1.00 57.03  ? 96  TRP A HD1  1 
ATOM   1551 H HE1  . TRP A 1 96  ? -17.290 1.336   -11.750 1.00 58.36  ? 96  TRP A HE1  1 
ATOM   1552 H HE3  . TRP A 1 96  ? -16.677 -1.707  -7.717  1.00 58.71  ? 96  TRP A HE3  1 
ATOM   1553 H HZ2  . TRP A 1 96  ? -15.405 -0.675  -12.128 1.00 57.43  ? 96  TRP A HZ2  1 
ATOM   1554 H HZ3  . TRP A 1 96  ? -15.139 -2.983  -8.823  1.00 57.69  ? 96  TRP A HZ3  1 
ATOM   1555 H HH2  . TRP A 1 96  ? -14.460 -2.446  -10.998 1.00 58.03  ? 96  TRP A HH2  1 
ATOM   1556 N N    . SER A 1 97  ? -20.218 3.293   -6.631  1.00 47.63  ? 97  SER A N    1 
ATOM   1557 C CA   . SER A 1 97  ? -21.338 4.122   -7.051  1.00 50.00  ? 97  SER A CA   1 
ATOM   1558 C C    . SER A 1 97  ? -20.901 5.557   -7.134  1.00 51.32  ? 97  SER A C    1 
ATOM   1559 O O    . SER A 1 97  ? -21.517 6.337   -7.859  1.00 52.28  ? 97  SER A O    1 
ATOM   1560 C CB   . SER A 1 97  ? -22.504 3.961   -6.081  1.00 49.40  ? 97  SER A CB   1 
ATOM   1561 O OG   . SER A 1 97  ? -22.458 4.951   -5.071  1.00 50.06  ? 97  SER A OG   1 
ATOM   1562 H H    . SER A 1 97  ? -20.310 2.924   -5.860  1.00 56.70  ? 97  SER A H    1 
ATOM   1563 H HA   . SER A 1 97  ? -21.657 3.840   -7.923  1.00 60.09  ? 97  SER A HA   1 
ATOM   1564 H HB2  . SER A 1 97  ? -23.337 4.047   -6.571  1.00 58.81  ? 97  SER A HB2  1 
ATOM   1565 H HB3  . SER A 1 97  ? -22.452 3.085   -5.667  1.00 58.81  ? 97  SER A HB3  1 
ATOM   1566 H HG   . SER A 1 97  ? -21.676 5.024   -4.776  1.00 59.61  ? 97  SER A HG   1 
ATOM   1567 N N    . ARG A 1 98  ? -19.873 5.915   -6.353  1.00 48.63  ? 98  ARG A N    1 
ATOM   1568 C CA   . ARG A 1 98  ? -19.262 7.268   -6.424  1.00 49.29  ? 98  ARG A CA   1 
ATOM   1569 C C    . ARG A 1 98  ? -18.138 7.454   -7.466  1.00 48.85  ? 98  ARG A C    1 
ATOM   1570 O O    . ARG A 1 98  ? -17.678 8.601   -7.687  1.00 49.69  ? 98  ARG A O    1 
ATOM   1571 C CB   . ARG A 1 98  ? -18.591 7.689   -5.099  1.00 49.81  ? 98  ARG A CB   1 
ATOM   1572 C CG   . ARG A 1 98  ? -19.408 8.513   -4.148  1.00 61.79  ? 98  ARG A CG   1 
ATOM   1573 C CD   . ARG A 1 98  ? -18.549 9.067   -3.005  1.00 59.07  ? 98  ARG A CD   1 
ATOM   1574 N NE   . ARG A 1 98  ? -17.978 7.975   -2.235  1.00 58.92  ? 98  ARG A NE   1 
ATOM   1575 C CZ   . ARG A 1 98  ? -18.564 7.487   -1.154  1.00 56.26  ? 98  ARG A CZ   1 
ATOM   1576 N NH1  . ARG A 1 98  ? -19.733 7.964   -0.742  1.00 56.67  ? 98  ARG A NH1  1 
ATOM   1577 N NH2  . ARG A 1 98  ? -17.967 6.508   -0.470  1.00 51.67  ? 98  ARG A NH2  1 
ATOM   1578 H H    . ARG A 1 98  ? -19.506 5.399   -5.771  1.00 57.89  ? 98  ARG A H    1 
ATOM   1579 H HA   . ARG A 1 98  ? -20.020 7.836   -6.635  1.00 58.69  ? 98  ARG A HA   1 
ATOM   1580 H HB2  . ARG A 1 98  ? -18.336 6.883   -4.624  1.00 59.31  ? 98  ARG A HB2  1 
ATOM   1581 H HB3  . ARG A 1 98  ? -17.802 8.210   -5.316  1.00 59.31  ? 98  ARG A HB3  1 
ATOM   1582 H HG2  . ARG A 1 98  ? -19.800 9.261   -4.625  1.00 74.24  ? 98  ARG A HG2  1 
ATOM   1583 H HG3  . ARG A 1 98  ? -20.107 7.962   -3.764  1.00 74.24  ? 98  ARG A HG3  1 
ATOM   1584 H HD2  . ARG A 1 98  ? -17.826 9.602   -3.370  1.00 70.98  ? 98  ARG A HD2  1 
ATOM   1585 H HD3  . ARG A 1 98  ? -19.098 9.609   -2.417  1.00 70.98  ? 98  ARG A HD3  1 
ATOM   1586 H HE   . ARG A 1 98  ? -17.232 7.633   -2.491  1.00 70.80  ? 98  ARG A HE   1 
ATOM   1587 H HH11 . ARG A 1 98  ? -20.118 8.597   -1.179  1.00 68.09  ? 98  ARG A HH11 1 
ATOM   1588 H HH12 . ARG A 1 98  ? -20.106 7.639   -0.038  1.00 68.09  ? 98  ARG A HH12 1 
ATOM   1589 H HH21 . ARG A 1 98  ? -17.208 6.201   -0.734  1.00 61.56  ? 98  ARG A HH21 1 
ATOM   1590 H HH22 . ARG A 1 98  ? -18.341 6.185   0.233   1.00 61.56  ? 98  ARG A HH22 1 
ATOM   1591 N N    . VAL A 1 99  ? -17.545 6.370   -7.965  1.00 48.04  ? 99  VAL A N    1 
ATOM   1592 C CA   . VAL A 1 99  ? -16.371 6.563   -8.827  1.00 47.89  ? 99  VAL A CA   1 
ATOM   1593 C C    . VAL A 1 99  ? -16.694 7.502   -9.980  1.00 50.32  ? 99  VAL A C    1 
ATOM   1594 O O    . VAL A 1 99  ? -15.841 8.291   -10.427 1.00 52.36  ? 99  VAL A O    1 
ATOM   1595 C CB   . VAL A 1 99  ? -15.812 5.227   -9.370  1.00 48.47  ? 99  VAL A CB   1 
ATOM   1596 C CG1  . VAL A 1 99  ? -14.769 5.462   -10.497 1.00 51.47  ? 99  VAL A CG1  1 
ATOM   1597 C CG2  . VAL A 1 99  ? -15.158 4.425   -8.260  1.00 47.70  ? 99  VAL A CG2  1 
ATOM   1598 H H    . VAL A 1 99  ? -17.786 5.556   -7.830  1.00 57.74  ? 99  VAL A H    1 
ATOM   1599 H HA   . VAL A 1 99  ? -15.688 6.962   -8.266  1.00 57.00  ? 99  VAL A HA   1 
ATOM   1600 H HB   . VAL A 1 99  ? -16.560 4.729   -9.735  1.00 58.26  ? 99  VAL A HB   1 
ATOM   1601 H HG11 . VAL A 1 99  ? -14.273 4.641   -10.645 1.00 61.86  ? 99  VAL A HG11 1 
ATOM   1602 H HG12 . VAL A 1 99  ? -15.233 5.719   -11.309 1.00 61.86  ? 99  VAL A HG12 1 
ATOM   1603 H HG13 . VAL A 1 99  ? -14.163 6.169   -10.225 1.00 61.86  ? 99  VAL A HG13 1 
ATOM   1604 H HG21 . VAL A 1 99  ? -14.648 3.699   -8.653  1.00 57.33  ? 99  VAL A HG21 1 
ATOM   1605 H HG22 . VAL A 1 99  ? -14.569 5.007   -7.755  1.00 57.33  ? 99  VAL A HG22 1 
ATOM   1606 H HG23 . VAL A 1 99  ? -15.848 4.068   -7.680  1.00 57.33  ? 99  VAL A HG23 1 
ATOM   1607 N N    . ASP A 1 100 ? -17.909 7.404   -10.520 1.00 60.48  ? 100 ASP A N    1 
ATOM   1608 C CA   . ASP A 1 100 ? -18.222 8.171   -11.716 1.00 61.81  ? 100 ASP A CA   1 
ATOM   1609 C C    . ASP A 1 100 ? -18.329 9.656   -11.376 1.00 61.92  ? 100 ASP A C    1 
ATOM   1610 O O    . ASP A 1 100 ? -17.798 10.517  -12.109 1.00 61.45  ? 100 ASP A O    1 
ATOM   1611 C CB   . ASP A 1 100 ? -19.494 7.626   -12.365 1.00 70.98  ? 100 ASP A CB   1 
ATOM   1612 C CG   . ASP A 1 100 ? -19.387 7.616   -13.904 1.00 75.12  ? 100 ASP A CG   1 
ATOM   1613 O OD1  . ASP A 1 100 ? -19.615 8.681   -14.540 1.00 82.73  ? 100 ASP A OD1  1 
ATOM   1614 O OD2  . ASP A 1 100 ? -18.960 6.559   -14.465 1.00 78.27  ? 100 ASP A OD2  1 
ATOM   1615 H H    . ASP A 1 100 ? -18.550 6.915   -10.219 1.00 72.67  ? 100 ASP A H    1 
ATOM   1616 H HA   . ASP A 1 100 ? -17.515 8.075   -12.374 1.00 74.27  ? 100 ASP A HA   1 
ATOM   1617 H HB2  . ASP A 1 100 ? -19.643 6.716   -12.063 1.00 85.27  ? 100 ASP A HB2  1 
ATOM   1618 H HB3  . ASP A 1 100 ? -20.246 8.185   -12.115 1.00 85.27  ? 100 ASP A HB3  1 
ATOM   1619 N N    . LYS A 1 101 ? -18.936 9.967   -10.221 1.00 52.62  ? 101 LYS A N    1 
ATOM   1620 C CA   . LYS A 1 101 ? -18.954 11.346  -9.740  1.00 53.13  ? 101 LYS A CA   1 
ATOM   1621 C C    . LYS A 1 101 ? -17.522 11.877  -9.588  1.00 54.09  ? 101 LYS A C    1 
ATOM   1622 O O    . LYS A 1 101 ? -17.198 13.026  -9.939  1.00 54.86  ? 101 LYS A O    1 
ATOM   1623 C CB   . LYS A 1 101 ? -19.645 11.438  -8.367  1.00 56.36  ? 101 LYS A CB   1 
ATOM   1624 C CG   . LYS A 1 101 ? -20.805 10.480  -8.028  1.00 60.22  ? 101 LYS A CG   1 
ATOM   1625 C CD   . LYS A 1 101 ? -21.612 10.916  -6.723  1.00 62.27  ? 101 LYS A CD   1 
ATOM   1626 C CE   . LYS A 1 101 ? -22.709 9.883   -6.375  1.00 54.30  ? 101 LYS A CE   1 
ATOM   1627 N NZ   . LYS A 1 101 ? -23.059 9.890   -4.885  1.00 62.90  ? 101 LYS A NZ   1 
ATOM   1628 H H    . LYS A 1 101 ? -19.337 9.404   -9.709  1.00 63.23  ? 101 LYS A H    1 
ATOM   1629 H HA   . LYS A 1 101 ? -19.450 11.881  -10.380 1.00 63.29  ? 101 LYS A HA   1 
ATOM   1630 H HB2  . LYS A 1 101 ? -18.965 11.289  -7.691  1.00 67.72  ? 101 LYS A HB2  1 
ATOM   1631 H HB3  . LYS A 1 101 ? -20.003 12.336  -8.284  1.00 67.72  ? 101 LYS A HB3  1 
ATOM   1632 H HG2  . LYS A 1 101 ? -21.427 10.462  -8.772  1.00 72.36  ? 101 LYS A HG2  1 
ATOM   1633 H HG3  . LYS A 1 101 ? -20.446 9.592   -7.874  1.00 72.36  ? 101 LYS A HG3  1 
ATOM   1634 H HD2  . LYS A 1 101 ? -21.002 10.979  -5.972  1.00 74.81  ? 101 LYS A HD2  1 
ATOM   1635 H HD3  . LYS A 1 101 ? -22.037 11.774  -6.878  1.00 74.81  ? 101 LYS A HD3  1 
ATOM   1636 H HE2  . LYS A 1 101 ? -23.514 10.092  -6.875  1.00 65.02  ? 101 LYS A HE2  1 
ATOM   1637 H HE3  . LYS A 1 101 ? -22.396 8.995   -6.607  1.00 65.02  ? 101 LYS A HE3  1 
ATOM   1638 H HZ1  . LYS A 1 101 ? -23.647 9.247   -4.708  1.00 75.57  ? 101 LYS A HZ1  1 
ATOM   1639 H HZ2  . LYS A 1 101 ? -22.326 9.753   -4.400  1.00 75.57  ? 101 LYS A HZ2  1 
ATOM   1640 H HZ3  . LYS A 1 101 ? -23.412 10.675  -4.659  1.00 75.57  ? 101 LYS A HZ3  1 
ATOM   1641 N N    . ILE A 1 102 ? -16.652 11.057  -9.000  1.00 52.05  ? 102 ILE A N    1 
ATOM   1642 C CA   . ILE A 1 102 ? -15.302 11.531  -8.737  1.00 52.60  ? 102 ILE A CA   1 
ATOM   1643 C C    . ILE A 1 102 ? -14.628 11.906  -10.045 1.00 53.08  ? 102 ILE A C    1 
ATOM   1644 O O    . ILE A 1 102 ? -14.084 13.008  -10.194 1.00 54.68  ? 102 ILE A O    1 
ATOM   1645 C CB   . ILE A 1 102 ? -14.510 10.489  -7.938  1.00 51.52  ? 102 ILE A CB   1 
ATOM   1646 C CG1  . ILE A 1 102 ? -15.092 10.427  -6.527  1.00 51.73  ? 102 ILE A CG1  1 
ATOM   1647 C CG2  . ILE A 1 102 ? -13.018 10.836  -7.961  1.00 52.33  ? 102 ILE A CG2  1 
ATOM   1648 C CD1  . ILE A 1 102 ? -14.340 9.428   -5.583  1.00 51.11  ? 102 ILE A CD1  1 
ATOM   1649 H H    . ILE A 1 102 ? -16.816 10.250  -8.753  1.00 61.99  ? 102 ILE A H    1 
ATOM   1650 H HA   . ILE A 1 102 ? -15.345 12.330  -8.189  1.00 62.65  ? 102 ILE A HA   1 
ATOM   1651 H HB   . ILE A 1 102 ? -14.590 9.608   -8.335  1.00 61.37  ? 102 ILE A HB   1 
ATOM   1652 H HG12 . ILE A 1 102 ? -15.038 11.310  -6.127  1.00 61.62  ? 102 ILE A HG12 1 
ATOM   1653 H HG13 . ILE A 1 102 ? -16.018 10.143  -6.582  1.00 61.62  ? 102 ILE A HG13 1 
ATOM   1654 H HG21 . ILE A 1 102 ? -12.573 10.365  -7.240  1.00 62.33  ? 102 ILE A HG21 1 
ATOM   1655 H HG22 . ILE A 1 102 ? -12.644 10.566  -8.814  1.00 62.33  ? 102 ILE A HG22 1 
ATOM   1656 H HG23 . ILE A 1 102 ? -12.915 11.794  -7.843  1.00 62.33  ? 102 ILE A HG23 1 
ATOM   1657 H HD11 . ILE A 1 102 ? -14.894 9.248   -4.808  1.00 60.87  ? 102 ILE A HD11 1 
ATOM   1658 H HD12 . ILE A 1 102 ? -14.169 8.605   -6.067  1.00 60.87  ? 102 ILE A HD12 1 
ATOM   1659 H HD13 . ILE A 1 102 ? -13.501 9.827   -5.304  1.00 60.87  ? 102 ILE A HD13 1 
ATOM   1660 N N    . ILE A 1 103 ? -14.726 11.028  -11.038 1.00 52.06  ? 103 ILE A N    1 
ATOM   1661 C CA   . ILE A 1 103 ? -14.096 11.315  -12.320 1.00 52.76  ? 103 ILE A CA   1 
ATOM   1662 C C    . ILE A 1 103 ? -14.647 12.606  -12.913 1.00 56.58  ? 103 ILE A C    1 
ATOM   1663 O O    . ILE A 1 103 ? -13.872 13.517  -13.257 1.00 57.94  ? 103 ILE A O    1 
ATOM   1664 C CB   . ILE A 1 103 ? -14.277 10.142  -13.287 1.00 51.80  ? 103 ILE A CB   1 
ATOM   1665 C CG1  . ILE A 1 103 ? -13.628 8.887   -12.693 1.00 50.58  ? 103 ILE A CG1  1 
ATOM   1666 C CG2  . ILE A 1 103 ? -13.634 10.459  -14.653 1.00 63.91  ? 103 ILE A CG2  1 
ATOM   1667 C CD1  . ILE A 1 103 ? -12.129 8.978   -12.478 1.00 53.47  ? 103 ILE A CD1  1 
ATOM   1668 H H    . ILE A 1 103 ? -15.142 10.276  -10.996 1.00 62.01  ? 103 ILE A H    1 
ATOM   1669 H HA   . ILE A 1 103 ? -13.146 11.436  -12.166 1.00 62.85  ? 103 ILE A HA   1 
ATOM   1670 H HB   . ILE A 1 103 ? -15.227 9.992   -13.416 1.00 61.70  ? 103 ILE A HB   1 
ATOM   1671 H HG12 . ILE A 1 103 ? -14.035 8.710   -11.831 1.00 60.24  ? 103 ILE A HG12 1 
ATOM   1672 H HG13 . ILE A 1 103 ? -13.790 8.144   -13.296 1.00 60.24  ? 103 ILE A HG13 1 
ATOM   1673 H HG21 . ILE A 1 103 ? -13.469 9.627   -15.125 1.00 76.78  ? 103 ILE A HG21 1 
ATOM   1674 H HG22 . ILE A 1 103 ? -14.241 11.015  -15.166 1.00 76.78  ? 103 ILE A HG22 1 
ATOM   1675 H HG23 . ILE A 1 103 ? -12.798 10.928  -14.508 1.00 76.78  ? 103 ILE A HG23 1 
ATOM   1676 H HD11 . ILE A 1 103 ? -11.730 8.113   -12.660 1.00 64.25  ? 103 ILE A HD11 1 
ATOM   1677 H HD12 . ILE A 1 103 ? -11.763 9.644   -13.081 1.00 64.25  ? 103 ILE A HD12 1 
ATOM   1678 H HD13 . ILE A 1 103 ? -11.957 9.235   -11.558 1.00 64.25  ? 103 ILE A HD13 1 
ATOM   1679 N N    . GLU A 1 104 ? -15.980 12.740  -12.986 1.00 55.25  ? 104 GLU A N    1 
ATOM   1680 C CA   . GLU A 1 104 ? -16.551 13.949  -13.590 1.00 59.84  ? 104 GLU A CA   1 
ATOM   1681 C C    . GLU A 1 104 ? -16.136 15.193  -12.824 1.00 58.58  ? 104 GLU A C    1 
ATOM   1682 O O    . GLU A 1 104 ? -15.800 16.216  -13.430 1.00 62.06  ? 104 GLU A O    1 
ATOM   1683 C CB   . GLU A 1 104 ? -18.079 13.871  -13.676 1.00 62.79  ? 104 GLU A CB   1 
ATOM   1684 C CG   . GLU A 1 104 ? -18.613 13.044  -14.820 1.00 83.24  ? 104 GLU A CG   1 
ATOM   1685 C CD   . GLU A 1 104 ? -20.122 12.958  -14.774 1.00 82.01  ? 104 GLU A CD   1 
ATOM   1686 O OE1  . GLU A 1 104 ? -20.724 13.945  -14.273 1.00 77.30  ? 104 GLU A OE1  1 
ATOM   1687 O OE2  . GLU A 1 104 ? -20.703 11.907  -15.192 1.00 81.09  ? 104 GLU A OE2  1 
ATOM   1688 H H    . GLU A 1 104 ? -16.554 12.166  -12.704 1.00 66.39  ? 104 GLU A H    1 
ATOM   1689 H HA   . GLU A 1 104 ? -16.213 14.010  -14.497 1.00 71.91  ? 104 GLU A HA   1 
ATOM   1690 H HB2  . GLU A 1 104 ? -18.413 13.480  -12.854 1.00 75.44  ? 104 GLU A HB2  1 
ATOM   1691 H HB3  . GLU A 1 104 ? -18.426 14.771  -13.781 1.00 75.44  ? 104 GLU A HB3  1 
ATOM   1692 H HG2  . GLU A 1 104 ? -18.355 13.452  -15.662 1.00 99.98  ? 104 GLU A HG2  1 
ATOM   1693 H HG3  . GLU A 1 104 ? -18.253 12.145  -14.764 1.00 99.98  ? 104 GLU A HG3  1 
ATOM   1694 N N    . ASN A 1 105 ? -16.117 15.116  -11.487 1.00 58.17  ? 105 ASN A N    1 
ATOM   1695 C CA   . ASN A 1 105 ? -15.735 16.276  -10.690 1.00 60.21  ? 105 ASN A CA   1 
ATOM   1696 C C    . ASN A 1 105 ? -14.311 16.675  -11.000 1.00 61.97  ? 105 ASN A C    1 
ATOM   1697 O O    . ASN A 1 105 ? -14.036 17.830  -11.299 1.00 63.35  ? 105 ASN A O    1 
ATOM   1698 C CB   . ASN A 1 105 ? -15.892 16.001  -9.186  1.00 59.80  ? 105 ASN A CB   1 
ATOM   1699 C CG   . ASN A 1 105 ? -17.376 16.061  -8.723  1.00 60.33  ? 105 ASN A CG   1 
ATOM   1700 O OD1  . ASN A 1 105 ? -18.212 16.624  -9.444  1.00 61.69  ? 105 ASN A OD1  1 
ATOM   1701 N ND2  . ASN A 1 105 ? -17.695 15.479  -7.541  1.00 59.58  ? 105 ASN A ND2  1 
ATOM   1702 N N    . LEU A 1 106 ? -13.398 15.714  -10.950 1.00 66.22  ? 106 LEU A N    1 
ATOM   1703 C CA   . LEU A 1 106 ? -12.008 15.958  -11.304 1.00 70.38  ? 106 LEU A CA   1 
ATOM   1704 C C    . LEU A 1 106 ? -11.870 16.615  -12.664 1.00 78.69  ? 106 LEU A C    1 
ATOM   1705 O O    . LEU A 1 106 ? -11.072 17.545  -12.851 1.00 80.69  ? 106 LEU A O    1 
ATOM   1706 C CB   . LEU A 1 106 ? -11.254 14.636  -11.291 1.00 58.20  ? 106 LEU A CB   1 
ATOM   1707 C CG   . LEU A 1 106 ? -10.893 14.027  -9.932  1.00 57.44  ? 106 LEU A CG   1 
ATOM   1708 C CD1  . LEU A 1 106 ? -10.304 12.697  -10.217 1.00 61.87  ? 106 LEU A CD1  1 
ATOM   1709 C CD2  . LEU A 1 106 ? -10.013 14.976  -9.193  1.00 59.64  ? 106 LEU A CD2  1 
ATOM   1710 H H    . LEU A 1 106 ? -13.559 14.903  -10.711 1.00 79.56  ? 106 LEU A H    1 
ATOM   1711 H HA   . LEU A 1 106 ? -11.625 16.560  -10.648 1.00 84.55  ? 106 LEU A HA   1 
ATOM   1712 H HB2  . LEU A 1 106 ? -11.799 13.981  -11.754 1.00 69.37  ? 106 LEU A HB2  1 
ATOM   1713 H HB3  . LEU A 1 106 ? -10.419 14.768  -11.768 1.00 69.37  ? 106 LEU A HB3  1 
ATOM   1714 H HG   . LEU A 1 106 ? -11.646 13.887  -9.336  1.00 68.46  ? 106 LEU A HG   1 
ATOM   1715 H HD11 . LEU A 1 106 ? -9.653  12.786  -10.931 1.00 74.34  ? 106 LEU A HD11 1 
ATOM   1716 H HD12 . LEU A 1 106 ? -11.011 12.090  -10.488 1.00 74.34  ? 106 LEU A HD12 1 
ATOM   1717 H HD13 . LEU A 1 106 ? -9.872  12.364  -9.415  1.00 74.34  ? 106 LEU A HD13 1 
ATOM   1718 H HD21 . LEU A 1 106 ? -10.544 15.731  -8.895  1.00 71.11  ? 106 LEU A HD21 1 
ATOM   1719 H HD22 . LEU A 1 106 ? -9.628  14.519  -8.429  1.00 71.11  ? 106 LEU A HD22 1 
ATOM   1720 H HD23 . LEU A 1 106 ? -9.309  15.280  -9.786  1.00 71.11  ? 106 LEU A HD23 1 
ATOM   1721 N N    . GLU A 1 107 ? -12.577 16.081  -13.649 1.00 76.76  ? 107 GLU A N    1 
ATOM   1722 C CA   . GLU A 1 107 ? -12.560 16.701  -14.961 1.00 77.65  ? 107 GLU A CA   1 
ATOM   1723 C C    . GLU A 1 107 ? -13.071 18.138  -14.878 1.00 84.24  ? 107 GLU A C    1 
ATOM   1724 O O    . GLU A 1 107 ? -12.542 19.035  -15.540 1.00 81.22  ? 107 GLU A O    1 
ATOM   1725 C CB   . GLU A 1 107 ? -13.404 15.870  -15.930 1.00 75.91  ? 107 GLU A CB   1 
ATOM   1726 C CG   . GLU A 1 107 ? -12.741 14.540  -16.331 1.00 85.59  ? 107 GLU A CG   1 
ATOM   1727 C CD   . GLU A 1 107 ? -13.685 13.573  -17.045 1.00 89.08  ? 107 GLU A CD   1 
ATOM   1728 O OE1  . GLU A 1 107 ? -14.943 13.749  -16.948 1.00 94.19  ? 107 GLU A OE1  1 
ATOM   1729 O OE2  . GLU A 1 107 ? -13.171 12.646  -17.728 1.00 89.56  ? 107 GLU A OE2  1 
ATOM   1730 H H    . GLU A 1 107 ? -13.064 15.375  -13.585 1.00 92.20  ? 107 GLU A H    1 
ATOM   1731 H HA   . GLU A 1 107 ? -11.653 16.724  -15.303 1.00 93.27  ? 107 GLU A HA   1 
ATOM   1732 H HB2  . GLU A 1 107 ? -14.253 15.665  -15.510 1.00 91.18  ? 107 GLU A HB2  1 
ATOM   1733 H HB3  . GLU A 1 107 ? -13.550 16.386  -16.739 1.00 91.18  ? 107 GLU A HB3  1 
ATOM   1734 H HG2  . GLU A 1 107 ? -12.001 14.727  -16.929 1.00 102.80 ? 107 GLU A HG2  1 
ATOM   1735 H HG3  . GLU A 1 107 ? -12.417 14.099  -15.530 1.00 102.80 ? 107 GLU A HG3  1 
ATOM   1736 N N    . ALA A 1 108 ? -14.099 18.377  -14.071 1.00 76.94  ? 108 ALA A N    1 
ATOM   1737 C CA   . ALA A 1 108 ? -14.572 19.746  -13.897 1.00 86.32  ? 108 ALA A CA   1 
ATOM   1738 C C    . ALA A 1 108 ? -13.524 20.588  -13.180 1.00 94.90  ? 108 ALA A C    1 
ATOM   1739 O O    . ALA A 1 108 ? -13.121 21.658  -13.667 1.00 91.56  ? 108 ALA A O    1 
ATOM   1740 C CB   . ALA A 1 108 ? -15.905 19.762  -13.132 1.00 93.41  ? 108 ALA A CB   1 
ATOM   1741 H H    . ALA A 1 108 ? -14.529 17.781  -13.623 1.00 92.42  ? 108 ALA A H    1 
ATOM   1742 H HA   . ALA A 1 108 ? -14.734 20.136  -14.770 1.00 103.67 ? 108 ALA A HA   1 
ATOM   1743 H HB1  . ALA A 1 108 ? -16.232 20.674  -13.087 1.00 112.18 ? 108 ALA A HB1  1 
ATOM   1744 H HB2  . ALA A 1 108 ? -16.544 19.204  -13.601 1.00 112.18 ? 108 ALA A HB2  1 
ATOM   1745 H HB3  . ALA A 1 108 ? -15.759 19.418  -12.237 1.00 112.18 ? 108 ALA A HB3  1 
ATOM   1746 N N    . ASN A 1 109 ? -13.034 20.086  -12.029 1.00 97.48  ? 109 ASN A N    1 
ATOM   1747 C CA   . ASN A 1 109 ? -12.219 20.915  -11.137 1.00 97.67  ? 109 ASN A CA   1 
ATOM   1748 C C    . ASN A 1 109 ? -10.829 21.180  -11.712 1.00 95.36  ? 109 ASN A C    1 
ATOM   1749 O O    . ASN A 1 109 ? -10.152 22.117  -11.270 1.00 104.46 ? 109 ASN A O    1 
ATOM   1750 C CB   . ASN A 1 109 ? -12.077 20.299  -9.717  1.00 87.33  ? 109 ASN A CB   1 
ATOM   1751 C CG   . ASN A 1 109 ? -13.429 19.882  -9.074  1.00 91.86  ? 109 ASN A CG   1 
ATOM   1752 O OD1  . ASN A 1 109 ? -14.501 20.423  -9.403  1.00 84.99  ? 109 ASN A OD1  1 
ATOM   1753 N ND2  . ASN A 1 109 ? -13.362 18.963  -8.115  1.00 78.46  ? 109 ASN A ND2  1 
ATOM   1754 H H    . ASN A 1 109 ? -13.160 19.282  -11.752 1.00 117.07 ? 109 ASN A H    1 
ATOM   1755 H HA   . ASN A 1 109 ? -12.687 21.757  -11.026 1.00 117.30 ? 109 ASN A HA   1 
ATOM   1756 H HB2  . ASN A 1 109 ? -11.521 19.506  -9.776  1.00 104.89 ? 109 ASN A HB2  1 
ATOM   1757 H HB3  . ASN A 1 109 ? -11.661 20.952  -9.133  1.00 104.89 ? 109 ASN A HB3  1 
ATOM   1758 H HD21 . ASN A 1 109 ? -12.600 18.636  -7.885  1.00 94.25  ? 109 ASN A HD21 1 
ATOM   1759 H HD22 . ASN A 1 109 ? -14.080 18.695  -7.724  1.00 94.25  ? 109 ASN A HD22 1 
ATOM   1760 N N    . LYS A 1 110 ? -10.387 20.382  -12.683 1.00 102.29 ? 110 LYS A N    1 
ATOM   1761 C CA   . LYS A 1 110 ? -9.202  20.738  -13.457 1.00 109.38 ? 110 LYS A CA   1 
ATOM   1762 C C    . LYS A 1 110 ? -9.568  21.780  -14.512 1.00 112.95 ? 110 LYS A C    1 
ATOM   1763 O O    . LYS A 1 110 ? -9.163  22.944  -14.426 1.00 117.26 ? 110 LYS A O    1 
ATOM   1764 C CB   . LYS A 1 110 ? -8.602  19.482  -14.099 1.00 103.42 ? 110 LYS A CB   1 
ATOM   1765 C CG   . LYS A 1 110 ? -7.283  19.752  -14.811 1.00 108.21 ? 110 LYS A CG   1 
ATOM   1766 C CD   . LYS A 1 110 ? -6.238  20.369  -13.876 1.00 107.10 ? 110 LYS A CD   1 
ATOM   1767 C CE   . LYS A 1 110 ? -4.897  20.560  -14.589 1.00 108.30 ? 110 LYS A CE   1 
ATOM   1768 N NZ   . LYS A 1 110 ? -4.969  21.463  -15.771 1.00 110.58 ? 110 LYS A NZ   1 
ATOM   1769 H H    . LYS A 1 110 ? -10.752 19.638  -12.911 1.00 122.84 ? 110 LYS A H    1 
ATOM   1770 H HA   . LYS A 1 110 ? -8.529  21.116  -12.870 1.00 131.35 ? 110 LYS A HA   1 
ATOM   1771 H HB2  . LYS A 1 110 ? -8.440  18.822  -13.407 1.00 124.20 ? 110 LYS A HB2  1 
ATOM   1772 H HB3  . LYS A 1 110 ? -9.229  19.132  -14.751 1.00 124.20 ? 110 LYS A HB3  1 
ATOM   1773 H HG2  . LYS A 1 110 ? -6.928  18.916  -15.151 1.00 129.95 ? 110 LYS A HG2  1 
ATOM   1774 H HG3  . LYS A 1 110 ? -7.437  20.370  -15.542 1.00 129.95 ? 110 LYS A HG3  1 
ATOM   1775 H HD2  . LYS A 1 110 ? -6.549  21.236  -13.573 1.00 128.62 ? 110 LYS A HD2  1 
ATOM   1776 H HD3  . LYS A 1 110 ? -6.099  19.782  -13.116 1.00 128.62 ? 110 LYS A HD3  1 
ATOM   1777 H HE2  . LYS A 1 110 ? -4.262  20.942  -13.963 1.00 130.05 ? 110 LYS A HE2  1 
ATOM   1778 H HE3  . LYS A 1 110 ? -4.580  19.696  -14.896 1.00 130.05 ? 110 LYS A HE3  1 
ATOM   1779 H HZ1  . LYS A 1 110 ? -4.189  21.467  -16.199 1.00 132.79 ? 110 LYS A HZ1  1 
ATOM   1780 H HZ2  . LYS A 1 110 ? -5.603  21.183  -16.329 1.00 132.79 ? 110 LYS A HZ2  1 
ATOM   1781 H HZ3  . LYS A 1 110 ? -5.160  22.292  -15.509 1.00 132.79 ? 110 LYS A HZ3  1 
ATOM   1782 N N    . LYS A 1 111 ? -10.386 21.379  -15.483 1.00 103.39 ? 111 LYS A N    1 
ATOM   1783 C CA   . LYS A 1 111 ? -10.739 22.225  -16.622 1.00 109.53 ? 111 LYS A CA   1 
ATOM   1784 C C    . LYS A 1 111 ? -12.025 23.011  -16.362 1.00 100.19 ? 111 LYS A C    1 
ATOM   1785 O O    . LYS A 1 111 ? -12.028 23.974  -15.583 1.00 98.69  ? 111 LYS A O    1 
ATOM   1786 C CB   . LYS A 1 111 ? -10.856 21.339  -17.881 1.00 109.28 ? 111 LYS A CB   1 
ATOM   1787 C CG   . LYS A 1 111 ? -9.662  20.346  -18.056 1.00 113.70 ? 111 LYS A CG   1 
ATOM   1788 C CD   . LYS A 1 111 ? -9.707  19.442  -19.317 1.00 112.65 ? 111 LYS A CD   1 
ATOM   1789 C CE   . LYS A 1 111 ? -8.394  18.629  -19.487 1.00 117.00 ? 111 LYS A CE   1 
ATOM   1790 N NZ   . LYS A 1 111 ? -8.382  17.679  -20.649 1.00 117.40 ? 111 LYS A NZ   1 
ATOM   1791 H H    . LYS A 1 111 ? -10.759 20.604  -15.506 1.00 124.16 ? 111 LYS A H    1 
ATOM   1792 H HA   . LYS A 1 111 ? -10.048 22.888  -16.778 1.00 131.53 ? 111 LYS A HA   1 
ATOM   1793 H HB2  . LYS A 1 111 ? -11.671 20.817  -17.822 1.00 131.23 ? 111 LYS A HB2  1 
ATOM   1794 H HB3  . LYS A 1 111 ? -10.885 21.910  -18.665 1.00 131.23 ? 111 LYS A HB3  1 
ATOM   1795 H HG2  . LYS A 1 111 ? -8.842  20.862  -18.103 1.00 136.54 ? 111 LYS A HG2  1 
ATOM   1796 H HG3  . LYS A 1 111 ? -9.640  19.759  -17.284 1.00 136.54 ? 111 LYS A HG3  1 
ATOM   1797 H HD2  . LYS A 1 111 ? -10.444 18.817  -19.237 1.00 135.28 ? 111 LYS A HD2  1 
ATOM   1798 H HD3  . LYS A 1 111 ? -9.826  19.996  -20.104 1.00 135.28 ? 111 LYS A HD3  1 
ATOM   1799 H HE2  . LYS A 1 111 ? -7.661  19.251  -19.613 1.00 140.49 ? 111 LYS A HE2  1 
ATOM   1800 H HE3  . LYS A 1 111 ? -8.251  18.105  -18.683 1.00 140.49 ? 111 LYS A HE3  1 
ATOM   1801 H HZ1  . LYS A 1 111 ? -7.567  17.339  -20.756 1.00 140.97 ? 111 LYS A HZ1  1 
ATOM   1802 H HZ2  . LYS A 1 111 ? -8.956  17.014  -20.505 1.00 140.97 ? 111 LYS A HZ2  1 
ATOM   1803 H HZ3  . LYS A 1 111 ? -8.617  18.106  -21.394 1.00 140.97 ? 111 LYS A HZ3  1 
ATOM   1804 N N    . ALA B 1 2   ? -12.571 -12.045 2.159   1.00 92.57  ? 2   ALA B N    1 
ATOM   1805 C CA   . ALA B 1 2   ? -12.766 -10.644 1.812   1.00 91.06  ? 2   ALA B CA   1 
ATOM   1806 C C    . ALA B 1 2   ? -11.696 -10.164 0.816   1.00 71.95  ? 2   ALA B C    1 
ATOM   1807 O O    . ALA B 1 2   ? -11.260 -9.028  0.852   1.00 71.76  ? 2   ALA B O    1 
ATOM   1808 C CB   . ALA B 1 2   ? -12.745 -9.773  3.077   1.00 89.79  ? 2   ALA B CB   1 
ATOM   1809 H HA   . ALA B 1 2   ? -13.633 -10.546 1.389   1.00 109.36 ? 2   ALA B HA   1 
ATOM   1810 H HB1  . ALA B 1 2   ? -12.968 -8.860  2.836   1.00 107.84 ? 2   ALA B HB1  1 
ATOM   1811 H HB2  . ALA B 1 2   ? -13.397 -10.116 3.708   1.00 107.84 ? 2   ALA B HB2  1 
ATOM   1812 H HB3  . ALA B 1 2   ? -11.858 -9.804  3.468   1.00 107.84 ? 2   ALA B HB3  1 
ATOM   1813 N N    . GLU B 1 3   ? -11.243 -11.064 -0.043  1.00 75.91  ? 3   GLU B N    1 
ATOM   1814 C CA   . GLU B 1 3   ? -10.239 -10.710 -1.036  1.00 71.10  ? 3   GLU B CA   1 
ATOM   1815 C C    . GLU B 1 3   ? -10.844 -9.951  -2.226  1.00 69.21  ? 3   GLU B C    1 
ATOM   1816 O O    . GLU B 1 3   ? -10.278 -8.957  -2.706  1.00 62.74  ? 3   GLU B O    1 
ATOM   1817 C CB   . GLU B 1 3   ? -9.587  -11.992 -1.522  1.00 87.18  ? 3   GLU B CB   1 
ATOM   1818 C CG   . GLU B 1 3   ? -9.417  -13.063 -0.387  1.00 94.02  ? 3   GLU B CG   1 
ATOM   1819 C CD   . GLU B 1 3   ? -8.801  -12.513 0.896   1.00 91.24  ? 3   GLU B CD   1 
ATOM   1820 O OE1  . GLU B 1 3   ? -7.660  -12.050 0.833   1.00 87.84  ? 3   GLU B OE1  1 
ATOM   1821 O OE2  . GLU B 1 3   ? -9.472  -12.516 1.959   1.00 88.36  ? 3   GLU B OE2  1 
ATOM   1822 H H    . GLU B 1 3   ? -11.498 -11.884 -0.073  1.00 91.18  ? 3   GLU B H    1 
ATOM   1823 H HA   . GLU B 1 3   ? -9.573  -10.132 -0.631  1.00 85.41  ? 3   GLU B HA   1 
ATOM   1824 H HB2  . GLU B 1 3   ? -10.137 -12.381 -2.220  1.00 104.71 ? 3   GLU B HB2  1 
ATOM   1825 H HB3  . GLU B 1 3   ? -8.706  -11.785 -1.871  1.00 104.71 ? 3   GLU B HB3  1 
ATOM   1826 H HG2  . GLU B 1 3   ? -10.291 -13.422 -0.164  1.00 112.92 ? 3   GLU B HG2  1 
ATOM   1827 H HG3  . GLU B 1 3   ? -8.840  -13.772 -0.711  1.00 112.92 ? 3   GLU B HG3  1 
ATOM   1828 N N    . ILE B 1 4   ? -11.992 -10.396 -2.730  1.00 65.72  ? 4   ILE B N    1 
ATOM   1829 C CA   . ILE B 1 4   ? -12.558 -9.749  -3.921  1.00 71.82  ? 4   ILE B CA   1 
ATOM   1830 C C    . ILE B 1 4   ? -12.921 -8.305  -3.650  1.00 63.23  ? 4   ILE B C    1 
ATOM   1831 O O    . ILE B 1 4   ? -12.577 -7.432  -4.481  1.00 58.02  ? 4   ILE B O    1 
ATOM   1832 C CB   . ILE B 1 4   ? -13.779 -10.577 -4.423  1.00 69.88  ? 4   ILE B CB   1 
ATOM   1833 C CG1  . ILE B 1 4   ? -13.308 -11.927 -4.965  1.00 73.93  ? 4   ILE B CG1  1 
ATOM   1834 C CG2  . ILE B 1 4   ? -14.456 -9.829  -5.549  1.00 65.48  ? 4   ILE B CG2  1 
ATOM   1835 C CD1  . ILE B 1 4   ? -12.643 -11.851 -6.330  1.00 73.62  ? 4   ILE B CD1  1 
ATOM   1836 H H    . ILE B 1 4   ? -12.452 -11.051 -2.416  1.00 78.96  ? 4   ILE B H    1 
ATOM   1837 H HA   . ILE B 1 4   ? -11.880 -9.757  -4.614  1.00 86.27  ? 4   ILE B HA   1 
ATOM   1838 H HB   . ILE B 1 4   ? -14.389 -10.712 -3.681  1.00 83.94  ? 4   ILE B HB   1 
ATOM   1839 H HG12 . ILE B 1 4   ? -12.665 -12.304 -4.344  1.00 88.80  ? 4   ILE B HG12 1 
ATOM   1840 H HG13 . ILE B 1 4   ? -14.076 -12.515 -5.044  1.00 88.80  ? 4   ILE B HG13 1 
ATOM   1841 H HG21 . ILE B 1 4   ? -14.991 -10.453 -6.064  1.00 78.67  ? 4   ILE B HG21 1 
ATOM   1842 H HG22 . ILE B 1 4   ? -15.023 -9.138  -5.173  1.00 78.67  ? 4   ILE B HG22 1 
ATOM   1843 H HG23 . ILE B 1 4   ? -13.778 -9.429  -6.115  1.00 78.67  ? 4   ILE B HG23 1 
ATOM   1844 H HD11 . ILE B 1 4   ? -12.214 -12.700 -6.520  1.00 88.43  ? 4   ILE B HD11 1 
ATOM   1845 H HD12 . ILE B 1 4   ? -13.319 -11.664 -7.001  1.00 88.43  ? 4   ILE B HD12 1 
ATOM   1846 H HD13 . ILE B 1 4   ? -11.982 -11.141 -6.320  1.00 88.43  ? 4   ILE B HD13 1 
ATOM   1847 N N    . PRO B 1 5   ? -13.620 -7.950  -2.558  1.00 67.36  ? 5   PRO B N    1 
ATOM   1848 C CA   . PRO B 1 5   ? -13.831 -6.524  -2.286  1.00 61.14  ? 5   PRO B CA   1 
ATOM   1849 C C    . PRO B 1 5   ? -12.513 -5.756  -2.286  1.00 59.70  ? 5   PRO B C    1 
ATOM   1850 O O    . PRO B 1 5   ? -12.457 -4.634  -2.805  1.00 53.93  ? 5   PRO B O    1 
ATOM   1851 C CB   . PRO B 1 5   ? -14.512 -6.513  -0.903  1.00 62.95  ? 5   PRO B CB   1 
ATOM   1852 C CG   . PRO B 1 5   ? -14.282 -7.872  -0.319  1.00 67.20  ? 5   PRO B CG   1 
ATOM   1853 C CD   . PRO B 1 5   ? -14.183 -8.824  -1.500  1.00 70.72  ? 5   PRO B CD   1 
ATOM   1854 H HA   . PRO B 1 5   ? -14.449 -6.139  -2.926  1.00 73.46  ? 5   PRO B HA   1 
ATOM   1855 H HB2  . PRO B 1 5   ? -14.109 -5.828  -0.346  1.00 75.63  ? 5   PRO B HB2  1 
ATOM   1856 H HB3  . PRO B 1 5   ? -15.460 -6.340  -1.007  1.00 75.63  ? 5   PRO B HB3  1 
ATOM   1857 H HG2  . PRO B 1 5   ? -13.457 -7.872  0.191   1.00 80.73  ? 5   PRO B HG2  1 
ATOM   1858 H HG3  . PRO B 1 5   ? -15.027 -8.111  0.253   1.00 80.73  ? 5   PRO B HG3  1 
ATOM   1859 H HD2  . PRO B 1 5   ? -13.587 -9.564  -1.304  1.00 84.96  ? 5   PRO B HD2  1 
ATOM   1860 H HD3  . PRO B 1 5   ? -15.057 -9.161  -1.752  1.00 84.96  ? 5   PRO B HD3  1 
ATOM   1861 N N    . LYS B 1 6   ? -11.440 -6.339  -1.712  1.00 56.80  ? 6   LYS B N    1 
ATOM   1862 C CA   . LYS B 1 6   ? -10.151 -5.650  -1.632  1.00 56.96  ? 6   LYS B CA   1 
ATOM   1863 C C    . LYS B 1 6   ? -9.582  -5.340  -3.019  1.00 54.94  ? 6   LYS B C    1 
ATOM   1864 O O    . LYS B 1 6   ? -9.229  -4.195  -3.293  1.00 49.78  ? 6   LYS B O    1 
ATOM   1865 C CB   . LYS B 1 6   ? -9.183  -6.502  -0.808  1.00 65.82  ? 6   LYS B CB   1 
ATOM   1866 C CG   . LYS B 1 6   ? -9.453  -6.436  0.707   1.00 75.14  ? 6   LYS B CG   1 
ATOM   1867 C CD   . LYS B 1 6   ? -8.669  -7.492  1.502   1.00 80.05  ? 6   LYS B CD   1 
ATOM   1868 C CE   . LYS B 1 6   ? -8.824  -7.309  3.016   1.00 89.06  ? 6   LYS B CE   1 
ATOM   1869 N NZ   . LYS B 1 6   ? -8.075  -8.355  3.763   1.00 89.56  ? 6   LYS B NZ   1 
ATOM   1870 H H    . LYS B 1 6   ? -11.440 -7.126  -1.365  1.00 68.25  ? 6   LYS B H    1 
ATOM   1871 H HA   . LYS B 1 6   ? -10.272 -4.797  -1.186  1.00 68.45  ? 6   LYS B HA   1 
ATOM   1872 H HB2  . LYS B 1 6   ? -9.265  -7.427  -1.086  1.00 79.08  ? 6   LYS B HB2  1 
ATOM   1873 H HB3  . LYS B 1 6   ? -8.278  -6.188  -0.964  1.00 79.08  ? 6   LYS B HB3  1 
ATOM   1874 H HG2  . LYS B 1 6   ? -9.194  -5.561  1.036   1.00 90.26  ? 6   LYS B HG2  1 
ATOM   1875 H HG3  . LYS B 1 6   ? -10.399 -6.583  0.865   1.00 90.26  ? 6   LYS B HG3  1 
ATOM   1876 H HD2  . LYS B 1 6   ? -8.998  -8.375  1.270   1.00 96.15  ? 6   LYS B HD2  1 
ATOM   1877 H HD3  . LYS B 1 6   ? -7.727  -7.421  1.284   1.00 96.15  ? 6   LYS B HD3  1 
ATOM   1878 H HE2  . LYS B 1 6   ? -8.477  -6.441  3.273   1.00 106.97 ? 6   LYS B HE2  1 
ATOM   1879 H HE3  . LYS B 1 6   ? -9.762  -7.375  3.254   1.00 106.97 ? 6   LYS B HE3  1 
ATOM   1880 H HZ1  . LYS B 1 6   ? -8.266  -8.305  4.630   1.00 107.56 ? 6   LYS B HZ1  1 
ATOM   1881 H HZ2  . LYS B 1 6   ? -8.298  -9.162  3.463   1.00 107.56 ? 6   LYS B HZ2  1 
ATOM   1882 H HZ3  . LYS B 1 6   ? -7.199  -8.239  3.653   1.00 107.56 ? 6   LYS B HZ3  1 
ATOM   1883 N N    . GLU B 1 7   ? -9.546  -6.322  -3.927  1.00 55.70  ? 7   GLU B N    1 
ATOM   1884 C CA   . GLU B 1 7   ? -9.131  -6.015  -5.300  1.00 57.79  ? 7   GLU B CA   1 
ATOM   1885 C C    . GLU B 1 7   ? -9.999  -4.918  -5.923  1.00 53.60  ? 7   GLU B C    1 
ATOM   1886 O O    . GLU B 1 7   ? -9.498  -4.033  -6.618  1.00 46.23  ? 7   GLU B O    1 
ATOM   1887 C CB   . GLU B 1 7   ? -9.249  -7.255  -6.192  1.00 56.35  ? 7   GLU B CB   1 
ATOM   1888 C CG   . GLU B 1 7   ? -8.890  -6.953  -7.614  1.00 63.07  ? 7   GLU B CG   1 
ATOM   1889 C CD   . GLU B 1 7   ? -9.054  -8.174  -8.556  1.00 73.43  ? 7   GLU B CD   1 
ATOM   1890 O OE1  . GLU B 1 7   ? -10.211 -8.549  -8.923  1.00 66.50  ? 7   GLU B OE1  1 
ATOM   1891 O OE2  . GLU B 1 7   ? -8.023  -8.788  -8.913  1.00 68.89  ? 7   GLU B OE2  1 
ATOM   1892 H H    . GLU B 1 7   ? -9.748  -7.145  -3.780  1.00 66.93  ? 7   GLU B H    1 
ATOM   1893 H HA   . GLU B 1 7   ? -8.207  -5.724  -5.258  1.00 69.45  ? 7   GLU B HA   1 
ATOM   1894 H HB2  . GLU B 1 7   ? -8.646  -7.942  -5.865  1.00 67.71  ? 7   GLU B HB2  1 
ATOM   1895 H HB3  . GLU B 1 7   ? -10.163 -7.579  -6.171  1.00 67.71  ? 7   GLU B HB3  1 
ATOM   1896 H HG2  . GLU B 1 7   ? -9.467  -6.244  -7.940  1.00 75.78  ? 7   GLU B HG2  1 
ATOM   1897 H HG3  . GLU B 1 7   ? -7.963  -6.669  -7.652  1.00 75.78  ? 7   GLU B HG3  1 
ATOM   1898 N N    . MET B 1 8   ? -11.326 -4.981  -5.724  1.00 59.28  ? 8   MET B N    1 
ATOM   1899 C CA   . MET B 1 8   ? -12.172 -3.936  -6.304  1.00 51.98  ? 8   MET B CA   1 
ATOM   1900 C C    . MET B 1 8   ? -11.757 -2.563  -5.823  1.00 46.89  ? 8   MET B C    1 
ATOM   1901 O O    . MET B 1 8   ? -11.618 -1.630  -6.621  1.00 46.31  ? 8   MET B O    1 
ATOM   1902 C CB   . MET B 1 8   ? -13.652 -4.164  -5.956  1.00 53.01  ? 8   MET B CB   1 
ATOM   1903 C CG   . MET B 1 8   ? -14.325 -5.253  -6.753  1.00 55.41  ? 8   MET B CG   1 
ATOM   1904 S SD   . MET B 1 8   ? -16.125 -5.272  -6.424  1.00 51.72  ? 8   MET B SD   1 
ATOM   1905 C CE   . MET B 1 8   ? -16.457 -6.722  -7.333  1.00 45.98  ? 8   MET B CE   1 
ATOM   1906 H H    . MET B 1 8   ? -11.738 -5.590  -5.279  1.00 71.23  ? 8   MET B H    1 
ATOM   1907 H HA   . MET B 1 8   ? -12.074 -3.994  -7.267  1.00 62.47  ? 8   MET B HA   1 
ATOM   1908 H HB2  . MET B 1 8   ? -13.715 -4.406  -5.019  1.00 63.70  ? 8   MET B HB2  1 
ATOM   1909 H HB3  . MET B 1 8   ? -14.138 -3.340  -6.118  1.00 63.70  ? 8   MET B HB3  1 
ATOM   1910 H HG2  . MET B 1 8   ? -14.185 -5.096  -7.700  1.00 66.59  ? 8   MET B HG2  1 
ATOM   1911 H HG3  . MET B 1 8   ? -13.955 -6.114  -6.502  1.00 66.59  ? 8   MET B HG3  1 
ATOM   1912 H HE1  . MET B 1 8   ? -17.418 -6.836  -7.405  1.00 55.27  ? 8   MET B HE1  1 
ATOM   1913 H HE2  . MET B 1 8   ? -16.067 -6.636  -8.217  1.00 55.27  ? 8   MET B HE2  1 
ATOM   1914 H HE3  . MET B 1 8   ? -16.067 -7.480  -6.871  1.00 55.27  ? 8   MET B HE3  1 
ATOM   1915 N N    . LEU B 1 9   ? -11.605 -2.402  -4.504  1.00 44.25  ? 9   LEU B N    1 
ATOM   1916 C CA   . LEU B 1 9   ? -11.214 -1.108  -3.974  1.00 51.87  ? 9   LEU B CA   1 
ATOM   1917 C C    . LEU B 1 9   ? -9.829  -0.678  -4.472  1.00 48.00  ? 9   LEU B C    1 
ATOM   1918 O O    . LEU B 1 9   ? -9.622  0.509   -4.751  1.00 52.17  ? 9   LEU B O    1 
ATOM   1919 C CB   . LEU B 1 9   ? -11.262 -1.111  -2.445  1.00 54.55  ? 9   LEU B CB   1 
ATOM   1920 C CG   . LEU B 1 9   ? -12.629 -0.992  -1.823  1.00 61.30  ? 9   LEU B CG   1 
ATOM   1921 C CD1  . LEU B 1 9   ? -12.637 -1.275  -0.358  1.00 63.41  ? 9   LEU B CD1  1 
ATOM   1922 C CD2  . LEU B 1 9   ? -13.217 0.382   -2.085  1.00 59.58  ? 9   LEU B CD2  1 
ATOM   1923 H H    . LEU B 1 9   ? -11.721 -3.016  -3.914  1.00 53.20  ? 9   LEU B H    1 
ATOM   1924 H HA   . LEU B 1 9   ? -11.855 -0.452  -4.289  1.00 62.33  ? 9   LEU B HA   1 
ATOM   1925 H HB2  . LEU B 1 9   ? -10.877 -1.944  -2.133  1.00 65.55  ? 9   LEU B HB2  1 
ATOM   1926 H HB3  . LEU B 1 9   ? -10.736 -0.361  -2.125  1.00 65.55  ? 9   LEU B HB3  1 
ATOM   1927 H HG   . LEU B 1 9   ? -13.186 -1.668  -2.240  1.00 73.65  ? 9   LEU B HG   1 
ATOM   1928 H HD11 . LEU B 1 9   ? -13.547 -1.204  -0.028  1.00 76.19  ? 9   LEU B HD11 1 
ATOM   1929 H HD12 . LEU B 1 9   ? -12.300 -2.171  -0.208  1.00 76.19  ? 9   LEU B HD12 1 
ATOM   1930 H HD13 . LEU B 1 9   ? -12.071 -0.628  0.091   1.00 76.19  ? 9   LEU B HD13 1 
ATOM   1931 H HD21 . LEU B 1 9   ? -13.928 0.548   -1.447  1.00 71.59  ? 9   LEU B HD21 1 
ATOM   1932 H HD22 . LEU B 1 9   ? -12.520 1.049   -1.984  1.00 71.59  ? 9   LEU B HD22 1 
ATOM   1933 H HD23 . LEU B 1 9   ? -13.571 0.408   -2.988  1.00 71.59  ? 9   LEU B HD23 1 
ATOM   1934 N N    . ARG B 1 10  ? -8.879  -1.616  -4.595  1.00 47.27  ? 10  ARG B N    1 
ATOM   1935 C CA   . ARG B 1 10  ? -7.575  -1.241  -5.145  1.00 50.43  ? 10  ARG B CA   1 
ATOM   1936 C C    . ARG B 1 10  ? -7.743  -0.698  -6.552  1.00 46.66  ? 10  ARG B C    1 
ATOM   1937 O O    . ARG B 1 10  ? -7.100  0.298   -6.916  1.00 45.72  ? 10  ARG B O    1 
ATOM   1938 C CB   . ARG B 1 10  ? -6.634  -2.433  -5.253  1.00 48.34  ? 10  ARG B CB   1 
ATOM   1939 C CG   . ARG B 1 10  ? -5.775  -2.759  -4.093  1.00 59.43  ? 10  ARG B CG   1 
ATOM   1940 C CD   . ARG B 1 10  ? -4.523  -3.498  -4.591  1.00 57.45  ? 10  ARG B CD   1 
ATOM   1941 N NE   . ARG B 1 10  ? -4.894  -4.655  -5.405  1.00 59.17  ? 10  ARG B NE   1 
ATOM   1942 C CZ   . ARG B 1 10  ? -5.391  -5.786  -4.903  1.00 61.52  ? 10  ARG B CZ   1 
ATOM   1943 N NH1  . ARG B 1 10  ? -5.535  -5.956  -3.591  1.00 62.01  ? 10  ARG B NH1  1 
ATOM   1944 N NH2  . ARG B 1 10  ? -5.772  -6.769  -5.731  1.00 58.92  ? 10  ARG B NH2  1 
ATOM   1945 H H    . ARG B 1 10  ? -8.963  -2.443  -4.376  1.00 56.82  ? 10  ARG B H    1 
ATOM   1946 H HA   . ARG B 1 10  ? -7.194  -0.587  -4.539  1.00 60.61  ? 10  ARG B HA   1 
ATOM   1947 H HB2  . ARG B 1 10  ? -7.175  -3.220  -5.425  1.00 58.10  ? 10  ARG B HB2  1 
ATOM   1948 H HB3  . ARG B 1 10  ? -6.038  -2.270  -6.001  1.00 58.10  ? 10  ARG B HB3  1 
ATOM   1949 H HG2  . ARG B 1 10  ? -5.502  -1.943  -3.645  1.00 71.41  ? 10  ARG B HG2  1 
ATOM   1950 H HG3  . ARG B 1 10  ? -6.255  -3.332  -3.476  1.00 71.41  ? 10  ARG B HG3  1 
ATOM   1951 H HD2  . ARG B 1 10  ? -3.988  -2.898  -5.134  1.00 69.03  ? 10  ARG B HD2  1 
ATOM   1952 H HD3  . ARG B 1 10  ? -4.007  -3.808  -3.831  1.00 69.03  ? 10  ARG B HD3  1 
ATOM   1953 H HE   . ARG B 1 10  ? -4.784  -4.603  -6.256  1.00 71.09  ? 10  ARG B HE   1 
ATOM   1954 H HH11 . ARG B 1 10  ? -5.858  -6.693  -3.286  1.00 74.50  ? 10  ARG B HH11 1 
ATOM   1955 H HH12 . ARG B 1 10  ? -5.306  -5.330  -3.049  1.00 74.50  ? 10  ARG B HH12 1 
ATOM   1956 H HH21 . ARG B 1 10  ? -6.093  -7.501  -5.412  1.00 70.79  ? 10  ARG B HH21 1 
ATOM   1957 H HH22 . ARG B 1 10  ? -5.695  -6.669  -6.582  1.00 70.79  ? 10  ARG B HH22 1 
ATOM   1958 N N    . ALA B 1 11  ? -8.487  -1.414  -7.368  1.00 42.91  ? 11  ALA B N    1 
ATOM   1959 C CA   . ALA B 1 11  ? -8.711  -1.021  -8.764  1.00 43.10  ? 11  ALA B CA   1 
ATOM   1960 C C    . ALA B 1 11  ? -9.347  0.355   -8.810  1.00 45.94  ? 11  ALA B C    1 
ATOM   1961 O O    . ALA B 1 11  ? -9.015  1.176   -9.674  1.00 46.91  ? 11  ALA B O    1 
ATOM   1962 C CB   . ALA B 1 11  ? -9.559  -2.070  -9.468  1.00 45.71  ? 11  ALA B CB   1 
ATOM   1963 H H    . ALA B 1 11  ? -8.885  -2.144  -7.147  1.00 51.58  ? 11  ALA B H    1 
ATOM   1964 H HA   . ALA B 1 11  ? -7.870  -0.979  -9.246  1.00 51.81  ? 11  ALA B HA   1 
ATOM   1965 H HB1  . ALA B 1 11  ? -9.698  -1.798  -10.389 1.00 54.95  ? 11  ALA B HB1  1 
ATOM   1966 H HB2  . ALA B 1 11  ? -9.095  -2.922  -9.441  1.00 54.95  ? 11  ALA B HB2  1 
ATOM   1967 H HB3  . ALA B 1 11  ? -10.412 -2.144  -9.012  1.00 54.95  ? 11  ALA B HB3  1 
ATOM   1968 N N    . GLN B 1 12  ? -10.297 0.618   -7.909  1.00 45.22  ? 12  GLN B N    1 
ATOM   1969 C CA   . GLN B 1 12  ? -10.943 1.940   -7.901  1.00 42.16  ? 12  GLN B CA   1 
ATOM   1970 C C    . GLN B 1 12  ? -9.949  3.041   -7.549  1.00 44.36  ? 12  GLN B C    1 
ATOM   1971 O O    . GLN B 1 12  ? -9.904  4.113   -8.178  1.00 41.55  ? 12  GLN B O    1 
ATOM   1972 C CB   . GLN B 1 12  ? -12.109 1.926   -6.918  1.00 42.11  ? 12  GLN B CB   1 
ATOM   1973 C CG   . GLN B 1 12  ? -13.328 1.034   -7.332  1.00 40.47  ? 12  GLN B CG   1 
ATOM   1974 C CD   . GLN B 1 12  ? -14.425 1.111   -6.298  1.00 46.67  ? 12  GLN B CD   1 
ATOM   1975 O OE1  . GLN B 1 12  ? -14.563 2.103   -5.611  1.00 46.51  ? 12  GLN B OE1  1 
ATOM   1976 N NE2  . GLN B 1 12  ? -15.214 0.098   -6.205  1.00 41.55  ? 12  GLN B NE2  1 
ATOM   1977 H H    . GLN B 1 12  ? -10.579 0.069   -7.310  1.00 54.36  ? 12  GLN B H    1 
ATOM   1978 H HA   . GLN B 1 12  ? -11.290 2.132   -8.786  1.00 50.68  ? 12  GLN B HA   1 
ATOM   1979 H HB2  . GLN B 1 12  ? -11.786 1.594   -6.066  1.00 50.63  ? 12  GLN B HB2  1 
ATOM   1980 H HB3  . GLN B 1 12  ? -12.436 2.834   -6.819  1.00 50.63  ? 12  GLN B HB3  1 
ATOM   1981 H HG2  . GLN B 1 12  ? -13.682 1.344   -8.180  1.00 48.65  ? 12  GLN B HG2  1 
ATOM   1982 H HG3  . GLN B 1 12  ? -13.042 0.111   -7.410  1.00 48.65  ? 12  GLN B HG3  1 
ATOM   1983 H HE21 . GLN B 1 12  ? -15.103 -0.582  -6.720  1.00 49.95  ? 12  GLN B HE21 1 
ATOM   1984 H HE22 . GLN B 1 12  ? -15.852 0.101   -5.628  1.00 49.95  ? 12  GLN B HE22 1 
ATOM   1985 N N    . THR B 1 13  ? -9.131  2.817   -6.522  1.00 44.97  ? 13  THR B N    1 
ATOM   1986 C CA   . THR B 1 13  ? -8.143  3.802   -6.183  1.00 43.27  ? 13  THR B CA   1 
ATOM   1987 C C    . THR B 1 13  ? -7.205  4.019   -7.368  1.00 42.27  ? 13  THR B C    1 
ATOM   1988 O O    . THR B 1 13  ? -6.996  5.164   -7.806  1.00 38.89  ? 13  THR B O    1 
ATOM   1989 C CB   . THR B 1 13  ? -7.377  3.325   -4.956  1.00 47.14  ? 13  THR B CB   1 
ATOM   1990 O OG1  . THR B 1 13  ? -8.299  3.091   -3.885  1.00 48.70  ? 13  THR B OG1  1 
ATOM   1991 C CG2  . THR B 1 13  ? -6.344  4.285   -4.553  1.00 51.99  ? 13  THR B CG2  1 
ATOM   1992 H H    . THR B 1 13  ? -9.137  2.115   -6.024  1.00 54.06  ? 13  THR B H    1 
ATOM   1993 H HA   . THR B 1 13  ? -8.563  4.649   -5.968  1.00 52.02  ? 13  THR B HA   1 
ATOM   1994 H HB   . THR B 1 13  ? -6.916  2.498   -5.166  1.00 56.66  ? 13  THR B HB   1 
ATOM   1995 H HG1  . THR B 1 13  ? -8.912  2.576   -4.140  1.00 58.53  ? 13  THR B HG1  1 
ATOM   1996 H HG21 . THR B 1 13  ? -5.975  4.033   -3.692  1.00 62.48  ? 13  THR B HG21 1 
ATOM   1997 H HG22 . THR B 1 13  ? -5.631  4.300   -5.210  1.00 62.48  ? 13  THR B HG22 1 
ATOM   1998 H HG23 . THR B 1 13  ? -6.727  5.174   -4.483  1.00 62.48  ? 13  THR B HG23 1 
ATOM   1999 N N    . ASN B 1 14  ? -6.656  2.948   -7.932  1.00 38.39  ? 14  ASN B N    1 
ATOM   2000 C CA   . ASN B 1 14  ? -5.685  3.086   -9.059  1.00 39.23  ? 14  ASN B CA   1 
ATOM   2001 C C    . ASN B 1 14  ? -6.331  3.832   -10.230 1.00 44.17  ? 14  ASN B C    1 
ATOM   2002 O O    . ASN B 1 14  ? -5.744  4.710   -10.825 1.00 46.17  ? 14  ASN B O    1 
ATOM   2003 C CB   . ASN B 1 14  ? -5.132  1.709   -9.459  1.00 39.53  ? 14  ASN B CB   1 
ATOM   2004 C CG   . ASN B 1 14  ? -4.405  1.018   -8.278  1.00 45.67  ? 14  ASN B CG   1 
ATOM   2005 O OD1  . ASN B 1 14  ? -4.018  1.665   -7.353  1.00 41.62  ? 14  ASN B OD1  1 
ATOM   2006 N ND2  . ASN B 1 14  ? -4.306  -0.296  -8.290  1.00 52.46  ? 14  ASN B ND2  1 
ATOM   2007 H H    . ASN B 1 14  ? -6.815  2.136   -7.697  1.00 46.16  ? 14  ASN B H    1 
ATOM   2008 H HA   . ASN B 1 14  ? -4.917  3.613   -8.787  1.00 47.17  ? 14  ASN B HA   1 
ATOM   2009 H HB2  . ASN B 1 14  ? -5.865  1.139   -9.741  1.00 47.52  ? 14  ASN B HB2  1 
ATOM   2010 H HB3  . ASN B 1 14  ? -4.498  1.817   -10.186 1.00 47.52  ? 14  ASN B HB3  1 
ATOM   2011 H HD21 . ASN B 1 14  ? -3.907  -0.704  -7.647  1.00 63.05  ? 14  ASN B HD21 1 
ATOM   2012 H HD22 . ASN B 1 14  ? -4.641  -0.746  -8.942  1.00 63.05  ? 14  ASN B HD22 1 
HETATM 2013 C C9   . BP5 B 1 15  ? -10.665 4.295   -12.624 1.00 46.98  ? 15  BP5 B C9   1 
HETATM 2014 C C8   . BP5 B 1 15  ? -11.845 4.889   -12.192 1.00 49.39  ? 15  BP5 B C8   1 
HETATM 2015 C C7   . BP5 B 1 15  ? -12.700 5.475   -13.100 1.00 49.42  ? 15  BP5 B C7   1 
HETATM 2016 C C6   . BP5 B 1 15  ? -12.374 5.432   -14.450 1.00 49.13  ? 15  BP5 B C6   1 
HETATM 2017 C C5   . BP5 B 1 15  ? -14.762 7.284   -17.357 1.00 58.27  ? 15  BP5 B C5   1 
HETATM 2018 C C4   . BP5 B 1 15  ? -13.479 6.845   -17.603 1.00 54.77  ? 15  BP5 B C4   1 
HETATM 2019 C C3   . BP5 B 1 15  ? -13.243 6.064   -15.468 1.00 53.91  ? 15  BP5 B C3   1 
HETATM 2020 C C2   . BP5 B 1 15  ? -14.522 6.483   -15.147 1.00 52.17  ? 15  BP5 B C2   1 
HETATM 2021 C C1   . BP5 B 1 15  ? -15.291 7.095   -16.107 1.00 59.97  ? 15  BP5 B C1   1 
HETATM 2022 C C12  . BP5 B 1 15  ? -9.752  3.612   -11.641 1.00 47.29  ? 15  BP5 B C12  1 
HETATM 2023 C C11  . BP5 B 1 15  ? -10.430 4.290   -13.999 1.00 51.74  ? 15  BP5 B C11  1 
HETATM 2024 N N1   . BP5 B 1 15  ? -12.698 6.264   -16.677 1.00 57.51  ? 15  BP5 B N1   1 
HETATM 2025 N N2   . BP5 B 1 15  ? -11.239 4.870   -14.903 1.00 49.27  ? 15  BP5 B N2   1 
HETATM 2026 C CA   . BP5 B 1 15  ? -8.342  4.196   -11.599 1.00 44.67  ? 15  BP5 B CA   1 
HETATM 2027 C C    . BP5 B 1 15  ? -8.468  5.701   -11.356 1.00 40.81  ? 15  BP5 B C    1 
HETATM 2028 O O    . BP5 B 1 15  ? -8.324  6.489   -12.311 1.00 43.24  ? 15  BP5 B O    1 
HETATM 2029 N N    . BP5 B 1 15  ? -7.580  3.532   -10.515 1.00 41.94  ? 15  BP5 B N    1 
HETATM 2030 H H5   . BP5 B 1 15  ? -15.264 7.706   -18.035 1.00 70.01  ? 15  BP5 B H5   1 
HETATM 2031 H H4   . BP5 B 1 15  ? -13.125 6.956   -18.471 1.00 65.82  ? 15  BP5 B H4   1 
HETATM 2032 H H3   . BP5 B 1 15  ? -14.861 6.349   -14.276 1.00 62.70  ? 15  BP5 B H3   1 
HETATM 2033 H H11  . BP5 B 1 15  ? -9.654  3.853   -14.320 1.00 62.17  ? 15  BP5 B H11  1 
ATOM   2034 N N    . ILE B 1 16  ? -8.741  6.123   -10.124 1.00 37.40  ? 16  ILE B N    1 
ATOM   2035 C CA   . ILE B 1 16  ? -8.912  7.558   -9.893  1.00 37.42  ? 16  ILE B CA   1 
ATOM   2036 C C    . ILE B 1 16  ? -7.555  8.298   -9.956  1.00 41.94  ? 16  ILE B C    1 
ATOM   2037 O O    . ILE B 1 16  ? -7.391  9.451   -10.406 1.00 41.05  ? 16  ILE B O    1 
ATOM   2038 C CB   . ILE B 1 16  ? -9.534  7.820   -8.523  1.00 40.29  ? 16  ILE B CB   1 
ATOM   2039 C CG1  . ILE B 1 16  ? -11.014 7.421   -8.484  1.00 51.76  ? 16  ILE B CG1  1 
ATOM   2040 C CG2  . ILE B 1 16  ? -9.423  9.266   -8.108  1.00 44.31  ? 16  ILE B CG2  1 
ATOM   2041 C CD1  . ILE B 1 16  ? -11.547 7.382   -7.045  1.00 53.22  ? 16  ILE B CD1  1 
ATOM   2042 H H    . ILE B 1 16  ? -8.828  5.620   -9.432  1.00 44.97  ? 16  ILE B H    1 
ATOM   2043 H HA   . ILE B 1 16  ? -9.495  7.894   -10.591 1.00 45.00  ? 16  ILE B HA   1 
ATOM   2044 H HB   . ILE B 1 16  ? -9.028  7.270   -7.904  1.00 48.45  ? 16  ILE B HB   1 
ATOM   2045 H HG12 . ILE B 1 16  ? -11.534 8.068   -8.985  1.00 62.20  ? 16  ILE B HG12 1 
ATOM   2046 H HG13 . ILE B 1 16  ? -11.119 6.538   -8.872  1.00 62.20  ? 16  ILE B HG13 1 
ATOM   2047 H HG21 . ILE B 1 16  ? -9.968  9.410   -7.319  1.00 53.26  ? 16  ILE B HG21 1 
ATOM   2048 H HG22 . ILE B 1 16  ? -8.495  9.468   -7.912  1.00 53.26  ? 16  ILE B HG22 1 
ATOM   2049 H HG23 . ILE B 1 16  ? -9.738  9.827   -8.834  1.00 53.26  ? 16  ILE B HG23 1 
ATOM   2050 H HD11 . ILE B 1 16  ? -12.345 6.831   -7.018  1.00 63.95  ? 16  ILE B HD11 1 
ATOM   2051 H HD12 . ILE B 1 16  ? -10.866 7.007   -6.465  1.00 63.95  ? 16  ILE B HD12 1 
ATOM   2052 H HD13 . ILE B 1 16  ? -11.760 8.286   -6.762  1.00 63.95  ? 16  ILE B HD13 1 
ATOM   2053 N N    . LEU B 1 17  ? -6.560  7.707   -9.310  1.00 42.83  ? 17  LEU B N    1 
ATOM   2054 C CA   . LEU B 1 17  ? -5.251  8.345   -9.348  1.00 42.75  ? 17  LEU B CA   1 
ATOM   2055 C C    . LEU B 1 17  ? -4.741  8.468   -10.787 1.00 40.82  ? 17  LEU B C    1 
ATOM   2056 O O    . LEU B 1 17  ? -4.239  9.529   -11.191 1.00 46.26  ? 17  LEU B O    1 
ATOM   2057 C CB   . LEU B 1 17  ? -4.294  7.540   -8.513  1.00 41.47  ? 17  LEU B CB   1 
ATOM   2058 C CG   . LEU B 1 17  ? -4.527  7.565   -7.023  1.00 45.07  ? 17  LEU B CG   1 
ATOM   2059 C CD1  . LEU B 1 17  ? -3.600  6.601   -6.251  1.00 50.48  ? 17  LEU B CD1  1 
ATOM   2060 C CD2  . LEU B 1 17  ? -4.212  9.014   -6.423  1.00 48.78  ? 17  LEU B CD2  1 
ATOM   2061 H H    . LEU B 1 17  ? -6.612  6.974   -8.864  1.00 51.49  ? 17  LEU B H    1 
ATOM   2062 H HA   . LEU B 1 17  ? -5.311  9.240   -8.978  1.00 51.39  ? 17  LEU B HA   1 
ATOM   2063 H HB2  . LEU B 1 17  ? -4.351  6.614   -8.796  1.00 49.85  ? 17  LEU B HB2  1 
ATOM   2064 H HB3  . LEU B 1 17  ? -3.398  7.879   -8.669  1.00 49.85  ? 17  LEU B HB3  1 
ATOM   2065 H HG   . LEU B 1 17  ? -5.454  7.308   -6.904  1.00 54.18  ? 17  LEU B HG   1 
ATOM   2066 H HD11 . LEU B 1 17  ? -3.793  6.670   -5.303  1.00 60.67  ? 17  LEU B HD11 1 
ATOM   2067 H HD12 . LEU B 1 17  ? -3.763  5.695   -6.557  1.00 60.67  ? 17  LEU B HD12 1 
ATOM   2068 H HD13 . LEU B 1 17  ? -2.677  6.847   -6.420  1.00 60.67  ? 17  LEU B HD13 1 
ATOM   2069 H HD21 . LEU B 1 17  ? -4.179  8.955   -5.455  1.00 58.63  ? 17  LEU B HD21 1 
ATOM   2070 H HD22 . LEU B 1 17  ? -3.356  9.318   -6.764  1.00 58.63  ? 17  LEU B HD22 1 
ATOM   2071 H HD23 . LEU B 1 17  ? -4.913  9.628   -6.693  1.00 58.63  ? 17  LEU B HD23 1 
ATOM   2072 N N    . LEU B 1 18  ? -4.895  7.423   -11.590 1.00 41.44  ? 18  LEU B N    1 
ATOM   2073 C CA   . LEU B 1 18  ? -4.418  7.510   -12.966 1.00 46.22  ? 18  LEU B CA   1 
ATOM   2074 C C    . LEU B 1 18  ? -5.273  8.450   -13.788 1.00 51.18  ? 18  LEU B C    1 
ATOM   2075 O O    . LEU B 1 18  ? -4.789  9.015   -14.772 1.00 54.98  ? 18  LEU B O    1 
ATOM   2076 C CB   . LEU B 1 18  ? -4.352  6.129   -13.593 1.00 44.68  ? 18  LEU B CB   1 
ATOM   2077 C CG   . LEU B 1 18  ? -3.301  5.216   -12.979 1.00 50.06  ? 18  LEU B CG   1 
ATOM   2078 C CD1  . LEU B 1 18  ? -3.633  3.772   -13.497 1.00 53.99  ? 18  LEU B CD1  1 
ATOM   2079 C CD2  . LEU B 1 18  ? -1.812  5.496   -13.314 1.00 62.89  ? 18  LEU B CD2  1 
ATOM   2080 H H    . LEU B 1 18  ? -5.260  6.676   -11.372 1.00 49.82  ? 18  LEU B H    1 
ATOM   2081 H HA   . LEU B 1 18  ? -3.511  7.854   -12.975 1.00 55.56  ? 18  LEU B HA   1 
ATOM   2082 H HB2  . LEU B 1 18  ? -5.215  5.699   -13.487 1.00 53.71  ? 18  LEU B HB2  1 
ATOM   2083 H HB3  . LEU B 1 18  ? -4.144  6.227   -14.536 1.00 53.71  ? 18  LEU B HB3  1 
ATOM   2084 H HG   . LEU B 1 18  ? -3.351  5.351   -12.020 1.00 60.16  ? 18  LEU B HG   1 
ATOM   2085 H HD11 . LEU B 1 18  ? -2.922  3.169   -13.230 1.00 64.88  ? 18  LEU B HD11 1 
ATOM   2086 H HD12 . LEU B 1 18  ? -4.475  3.484   -13.110 1.00 64.88  ? 18  LEU B HD12 1 
ATOM   2087 H HD13 . LEU B 1 18  ? -3.704  3.792   -14.465 1.00 64.88  ? 18  LEU B HD13 1 
ATOM   2088 H HD21 . LEU B 1 18  ? -1.255  4.873   -12.821 1.00 75.56  ? 18  LEU B HD21 1 
ATOM   2089 H HD22 . LEU B 1 18  ? -1.675  5.378   -14.267 1.00 75.56  ? 18  LEU B HD22 1 
ATOM   2090 H HD23 . LEU B 1 18  ? -1.596  6.406   -13.059 1.00 75.56  ? 18  LEU B HD23 1 
ATOM   2091 N N    . ASN B 1 19  ? -6.530  8.649   -13.421 1.00 52.88  ? 19  ASN B N    1 
ATOM   2092 C CA   . ASN B 1 19  ? -7.265  9.680   -14.119 1.00 51.32  ? 19  ASN B CA   1 
ATOM   2093 C C    . ASN B 1 19  ? -6.793  11.068  -13.720 1.00 52.07  ? 19  ASN B C    1 
ATOM   2094 O O    . ASN B 1 19  ? -6.777  11.980  -14.553 1.00 56.06  ? 19  ASN B O    1 
ATOM   2095 C CB   . ASN B 1 19  ? -8.710  9.474   -13.834 1.00 41.49  ? 19  ASN B CB   1 
ATOM   2096 C CG   . ASN B 1 19  ? -9.353  8.564   -14.835 1.00 51.80  ? 19  ASN B CG   1 
ATOM   2097 O OD1  . ASN B 1 19  ? -9.926  9.051   -15.815 1.00 48.89  ? 19  ASN B OD1  1 
ATOM   2098 N ND2  . ASN B 1 19  ? -9.240  7.229   -14.636 1.00 51.11  ? 19  ASN B ND2  1 
ATOM   2099 H H    . ASN B 1 19  ? -6.953  8.224   -12.805 1.00 63.54  ? 19  ASN B H    1 
ATOM   2100 H HA   . ASN B 1 19  ? -7.124  9.616   -15.077 1.00 61.67  ? 19  ASN B HA   1 
ATOM   2101 H HB2  . ASN B 1 19  ? -8.809  9.076   -12.955 1.00 49.89  ? 19  ASN B HB2  1 
ATOM   2102 H HB3  . ASN B 1 19  ? -9.167  10.329  -13.864 1.00 49.89  ? 19  ASN B HB3  1 
ATOM   2103 H HD21 . ASN B 1 19  ? -9.598  6.680   -15.193 1.00 61.42  ? 19  ASN B HD21 1 
ATOM   2104 H HD22 . ASN B 1 19  ? -8.811  6.931   -13.953 1.00 61.42  ? 19  ASN B HD22 1 
ATOM   2105 N N    . VAL B 1 20  ? -6.444  11.271  -12.448 1.00 48.58  ? 20  VAL B N    1 
ATOM   2106 C CA   . VAL B 1 20  ? -5.889  12.569  -12.059 1.00 53.85  ? 20  VAL B CA   1 
ATOM   2107 C C    . VAL B 1 20  ? -4.672  12.900  -12.924 1.00 59.14  ? 20  VAL B C    1 
ATOM   2108 O O    . VAL B 1 20  ? -4.522  14.006  -13.464 1.00 60.50  ? 20  VAL B O    1 
ATOM   2109 C CB   . VAL B 1 20  ? -5.532  12.581  -10.565 1.00 52.35  ? 20  VAL B CB   1 
ATOM   2110 C CG1  . VAL B 1 20  ? -4.879  13.877  -10.217 1.00 50.64  ? 20  VAL B CG1  1 
ATOM   2111 C CG2  . VAL B 1 20  ? -6.797  12.370  -9.677  1.00 54.68  ? 20  VAL B CG2  1 
ATOM   2112 H H    . VAL B 1 20  ? -6.516  10.695  -11.813 1.00 58.39  ? 20  VAL B H    1 
ATOM   2113 H HA   . VAL B 1 20  ? -6.564  13.249  -12.209 1.00 64.71  ? 20  VAL B HA   1 
ATOM   2114 H HB   . VAL B 1 20  ? -4.920  11.850  -10.386 1.00 62.91  ? 20  VAL B HB   1 
ATOM   2115 H HG11 . VAL B 1 20  ? -4.788  13.936  -9.253  1.00 60.86  ? 20  VAL B HG11 1 
ATOM   2116 H HG12 . VAL B 1 20  ? -4.004  13.912  -10.634 1.00 60.86  ? 20  VAL B HG12 1 
ATOM   2117 H HG13 . VAL B 1 20  ? -5.430  14.606  -10.543 1.00 60.86  ? 20  VAL B HG13 1 
ATOM   2118 H HG21 . VAL B 1 20  ? -6.517  12.207  -8.762  1.00 65.71  ? 20  VAL B HG21 1 
ATOM   2119 H HG22 . VAL B 1 20  ? -7.348  13.167  -9.717  1.00 65.71  ? 20  VAL B HG22 1 
ATOM   2120 H HG23 . VAL B 1 20  ? -7.293  11.607  -10.012 1.00 65.71  ? 20  VAL B HG23 1 
ATOM   2121 N N    . LEU B 1 21  ? -3.765  11.954  -13.052 1.00 49.76  ? 21  LEU B N    1 
ATOM   2122 C CA   . LEU B 1 21  ? -2.572  12.283  -13.815 1.00 61.30  ? 21  LEU B CA   1 
ATOM   2123 C C    . LEU B 1 21  ? -2.869  12.430  -15.299 1.00 63.41  ? 21  LEU B C    1 
ATOM   2124 O O    . LEU B 1 21  ? -2.186  13.206  -15.982 1.00 60.20  ? 21  LEU B O    1 
ATOM   2125 C CB   . LEU B 1 21  ? -1.519  11.233  -13.607 1.00 49.61  ? 21  LEU B CB   1 
ATOM   2126 C CG   . LEU B 1 21  ? -0.987  11.161  -12.209 1.00 54.76  ? 21  LEU B CG   1 
ATOM   2127 C CD1  . LEU B 1 21  ? 0.066   10.069  -12.189 1.00 61.26  ? 21  LEU B CD1  1 
ATOM   2128 C CD2  . LEU B 1 21  ? -0.366  12.500  -11.768 1.00 58.38  ? 21  LEU B CD2  1 
ATOM   2129 H H    . LEU B 1 21  ? -3.809  11.159  -12.728 1.00 59.80  ? 21  LEU B H    1 
ATOM   2130 H HA   . LEU B 1 21  ? -2.227  13.130  -13.491 1.00 73.65  ? 21  LEU B HA   1 
ATOM   2131 H HB2  . LEU B 1 21  ? -1.900  10.367  -13.822 1.00 59.62  ? 21  LEU B HB2  1 
ATOM   2132 H HB3  . LEU B 1 21  ? -0.773  11.422  -14.197 1.00 59.62  ? 21  LEU B HB3  1 
ATOM   2133 H HG   . LEU B 1 21  ? -1.704  10.970  -11.584 1.00 65.80  ? 21  LEU B HG   1 
ATOM   2134 H HD11 . LEU B 1 21  ? 0.545   10.107  -11.347 1.00 73.60  ? 21  LEU B HD11 1 
ATOM   2135 H HD12 . LEU B 1 21  ? -0.370  9.207   -12.282 1.00 73.60  ? 21  LEU B HD12 1 
ATOM   2136 H HD13 . LEU B 1 21  ? 0.681   10.209  -12.926 1.00 73.60  ? 21  LEU B HD13 1 
ATOM   2137 H HD21 . LEU B 1 21  ? 0.188   12.349  -10.987 1.00 70.14  ? 21  LEU B HD21 1 
ATOM   2138 H HD22 . LEU B 1 21  ? 0.173   12.852  -12.493 1.00 70.14  ? 21  LEU B HD22 1 
ATOM   2139 H HD23 . LEU B 1 21  ? -1.078  13.123  -11.553 1.00 70.14  ? 21  LEU B HD23 1 
ATOM   2140 N N    . LYS B 1 22  ? -3.886  11.718  -15.813 1.00 58.20  ? 22  LYS B N    1 
ATOM   2141 C CA   . LYS B 1 22  ? -4.346  12.007  -17.169 1.00 61.18  ? 22  LYS B CA   1 
ATOM   2142 C C    . LYS B 1 22  ? -4.803  13.453  -17.282 1.00 65.98  ? 22  LYS B C    1 
ATOM   2143 O O    . LYS B 1 22  ? -4.633  14.063  -18.339 1.00 73.00  ? 22  LYS B O    1 
ATOM   2144 C CB   . LYS B 1 22  ? -5.455  11.014  -17.587 1.00 68.97  ? 22  LYS B CB   1 
ATOM   2145 C CG   . LYS B 1 22  ? -6.011  11.220  -19.005 1.00 83.57  ? 22  LYS B CG   1 
ATOM   2146 C CD   . LYS B 1 22  ? -7.133  10.232  -19.435 1.00 81.80  ? 22  LYS B CD   1 
ATOM   2147 C CE   . LYS B 1 22  ? -6.493  8.997   -20.149 1.00 92.20  ? 22  LYS B CE   1 
ATOM   2148 N NZ   . LYS B 1 22  ? -7.496  8.095   -20.832 1.00 89.06  ? 22  LYS B NZ   1 
ATOM   2149 H H    . LYS B 1 22  ? -4.307  11.087  -15.408 1.00 69.93  ? 22  LYS B H    1 
ATOM   2150 H HA   . LYS B 1 22  ? -3.618  11.878  -17.797 1.00 73.51  ? 22  LYS B HA   1 
ATOM   2151 H HB2  . LYS B 1 22  ? -5.094  10.114  -17.544 1.00 82.86  ? 22  LYS B HB2  1 
ATOM   2152 H HB3  . LYS B 1 22  ? -6.197  11.103  -16.968 1.00 82.86  ? 22  LYS B HB3  1 
ATOM   2153 H HG2  . LYS B 1 22  ? -6.378  12.116  -19.062 1.00 100.38 ? 22  LYS B HG2  1 
ATOM   2154 H HG3  . LYS B 1 22  ? -5.282  11.120  -19.637 1.00 100.38 ? 22  LYS B HG3  1 
ATOM   2155 H HD2  . LYS B 1 22  ? -7.619  9.926   -18.653 1.00 98.25  ? 22  LYS B HD2  1 
ATOM   2156 H HD3  . LYS B 1 22  ? -7.740  10.671  -20.051 1.00 98.25  ? 22  LYS B HD3  1 
ATOM   2157 H HE2  . LYS B 1 22  ? -5.873  9.314   -20.825 1.00 110.73 ? 22  LYS B HE2  1 
ATOM   2158 H HE3  . LYS B 1 22  ? -6.020  8.466   -19.489 1.00 110.73 ? 22  LYS B HE3  1 
ATOM   2159 H HZ1  . LYS B 1 22  ? -7.082  7.389   -21.181 1.00 106.96 ? 22  LYS B HZ1  1 
ATOM   2160 H HZ2  . LYS B 1 22  ? -8.102  7.814   -20.244 1.00 106.96 ? 22  LYS B HZ2  1 
ATOM   2161 H HZ3  . LYS B 1 22  ? -7.910  8.538   -21.484 1.00 106.96 ? 22  LYS B HZ3  1 
ATOM   2162 N N    . GLN B 1 23  ? -5.349  14.033  -16.203 1.00 83.66  ? 23  GLN B N    1 
ATOM   2163 C CA   . GLN B 1 23  ? -5.709  15.455  -16.245 1.00 76.97  ? 23  GLN B CA   1 
ATOM   2164 C C    . GLN B 1 23  ? -4.492  16.378  -16.278 1.00 76.97  ? 23  GLN B C    1 
ATOM   2165 O O    . GLN B 1 23  ? -4.605  17.545  -16.682 1.00 80.81  ? 23  GLN B O    1 
ATOM   2166 C CB   . GLN B 1 23  ? -6.560  15.847  -15.034 1.00 87.63  ? 23  GLN B CB   1 
ATOM   2167 C CG   . GLN B 1 23  ? -8.015  15.494  -15.104 1.00 77.12  ? 23  GLN B CG   1 
ATOM   2168 C CD   . GLN B 1 23  ? -8.693  15.632  -13.775 1.00 89.96  ? 23  GLN B CD   1 
ATOM   2169 O OE1  . GLN B 1 23  ? -9.722  15.018  -13.565 1.00 92.41  ? 23  GLN B OE1  1 
ATOM   2170 N NE2  . GLN B 1 23  ? -8.119  16.434  -12.861 1.00 88.88  ? 23  GLN B NE2  1 
ATOM   2171 H H    . GLN B 1 23  ? -5.515  13.637  -15.458 1.00 100.49 ? 23  GLN B H    1 
ATOM   2172 H HA   . GLN B 1 23  ? -6.232  15.585  -17.052 1.00 92.45  ? 23  GLN B HA   1 
ATOM   2173 H HB2  . GLN B 1 23  ? -6.195  15.402  -14.253 1.00 105.25 ? 23  GLN B HB2  1 
ATOM   2174 H HB3  . GLN B 1 23  ? -6.504  16.809  -14.924 1.00 105.25 ? 23  GLN B HB3  1 
ATOM   2175 H HG2  . GLN B 1 23  ? -8.457  16.087  -15.733 1.00 92.63  ? 23  GLN B HG2  1 
ATOM   2176 H HG3  . GLN B 1 23  ? -8.106  14.574  -15.397 1.00 92.63  ? 23  GLN B HG3  1 
ATOM   2177 H HE21 . GLN B 1 23  ? -7.388  16.846  -13.049 1.00 106.75 ? 23  GLN B HE21 1 
ATOM   2178 H HE22 . GLN B 1 23  ? -8.483  16.535  -12.088 1.00 106.75 ? 23  GLN B HE22 1 
ATOM   2179 N N    . GLY B 1 24  ? -3.345  15.910  -15.828 1.00 62.53  ? 24  GLY B N    1 
ATOM   2180 C CA   . GLY B 1 24  ? -2.161  16.729  -15.851 1.00 65.77  ? 24  GLY B CA   1 
ATOM   2181 C C    . GLY B 1 24  ? -1.184  16.210  -14.836 1.00 55.56  ? 24  GLY B C    1 
ATOM   2182 O O    . GLY B 1 24  ? -1.593  15.680  -13.801 1.00 56.57  ? 24  GLY B O    1 
ATOM   2183 H H    . GLY B 1 24  ? -3.230  15.122  -15.505 1.00 75.12  ? 24  GLY B H    1 
ATOM   2184 H HA2  . GLY B 1 24  ? -1.753  16.700  -16.730 1.00 79.02  ? 24  GLY B HA2  1 
ATOM   2185 H HA3  . GLY B 1 24  ? -2.386  17.648  -15.637 1.00 79.02  ? 24  GLY B HA3  1 
ATOM   2186 N N    . ASP B 1 25  ? 0.109   16.338  -15.139 1.00 56.36  ? 25  ASP B N    1 
ATOM   2187 C CA   . ASP B 1 25  ? 1.134   16.069  -14.148 1.00 53.36  ? 25  ASP B CA   1 
ATOM   2188 C C    . ASP B 1 25  ? 0.747   16.734  -12.824 1.00 48.53  ? 25  ASP B C    1 
ATOM   2189 O O    . ASP B 1 25  ? 0.177   17.821  -12.802 1.00 52.33  ? 25  ASP B O    1 
ATOM   2190 C CB   . ASP B 1 25  ? 2.497   16.594  -14.645 1.00 50.39  ? 25  ASP B CB   1 
ATOM   2191 C CG   . ASP B 1 25  ? 2.992   15.917  -15.951 1.00 52.61  ? 25  ASP B CG   1 
ATOM   2192 O OD1  . ASP B 1 25  ? 2.283   15.161  -16.616 1.00 52.79  ? 25  ASP B OD1  1 
ATOM   2193 O OD2  . ASP B 1 25  ? 4.164   16.145  -16.316 1.00 60.47  ? 25  ASP B OD2  1 
ATOM   2194 H H    . ASP B 1 25  ? 0.411   16.577  -15.908 1.00 67.72  ? 25  ASP B H    1 
ATOM   2195 H HA   . ASP B 1 25  ? 1.224   15.114  -14.000 1.00 64.12  ? 25  ASP B HA   1 
ATOM   2196 H HB2  . ASP B 1 25  ? 2.421   17.546  -14.817 1.00 60.56  ? 25  ASP B HB2  1 
ATOM   2197 H HB3  . ASP B 1 25  ? 3.163   16.433  -13.958 1.00 60.56  ? 25  ASP B HB3  1 
ATOM   2198 N N    . ASN B 1 26  ? 1.095   16.124  -11.694 1.00 54.49  ? 26  ASN B N    1 
ATOM   2199 C CA   . ASN B 1 26  ? 0.613   16.616  -10.397 1.00 49.20  ? 26  ASN B CA   1 
ATOM   2200 C C    . ASN B 1 26  ? 1.548   16.085  -9.328  1.00 49.28  ? 26  ASN B C    1 
ATOM   2201 O O    . ASN B 1 26  ? 2.378   15.214  -9.606  1.00 47.03  ? 26  ASN B O    1 
ATOM   2202 C CB   . ASN B 1 26  ? -0.838  16.164  -10.156 1.00 50.83  ? 26  ASN B CB   1 
ATOM   2203 C CG   . ASN B 1 26  ? -1.618  17.091  -9.256  1.00 48.15  ? 26  ASN B CG   1 
ATOM   2204 O OD1  . ASN B 1 26  ? -1.067  17.686  -8.313  1.00 42.27  ? 26  ASN B OD1  1 
ATOM   2205 N ND2  . ASN B 1 26  ? -2.914  17.264  -9.570  1.00 46.72  ? 26  ASN B ND2  1 
ATOM   2206 H H    . ASN B 1 26  ? 1.603   15.432  -11.648 1.00 65.48  ? 26  ASN B H    1 
ATOM   2207 H HA   . ASN B 1 26  ? 0.634   17.585  -10.361 1.00 59.14  ? 26  ASN B HA   1 
ATOM   2208 H HB2  . ASN B 1 26  ? -1.299  16.123  -11.009 1.00 61.09  ? 26  ASN B HB2  1 
ATOM   2209 H HB3  . ASN B 1 26  ? -0.828  15.287  -9.742  1.00 61.09  ? 26  ASN B HB3  1 
ATOM   2210 H HD21 . ASN B 1 26  ? -3.407  17.781  -9.092  1.00 56.16  ? 26  ASN B HD21 1 
ATOM   2211 H HD22 . ASN B 1 26  ? -3.249  16.857  -10.249 1.00 56.16  ? 26  ASN B HD22 1 
ATOM   2212 N N    . TYR B 1 27  ? 1.455   16.657  -8.126  1.00 49.89  ? 27  TYR B N    1 
ATOM   2213 C CA   . TYR B 1 27  ? 2.280   16.278  -6.984  1.00 48.80  ? 27  TYR B CA   1 
ATOM   2214 C C    . TYR B 1 27  ? 1.380   15.709  -5.898  1.00 51.01  ? 27  TYR B C    1 
ATOM   2215 O O    . TYR B 1 27  ? 0.181   15.993  -5.858  1.00 45.51  ? 27  TYR B O    1 
ATOM   2216 C CB   . TYR B 1 27  ? 3.112   17.473  -6.483  1.00 48.20  ? 27  TYR B CB   1 
ATOM   2217 C CG   . TYR B 1 27  ? 2.327   18.708  -6.014  1.00 55.96  ? 27  TYR B CG   1 
ATOM   2218 C CD1  . TYR B 1 27  ? 1.708   19.555  -6.922  1.00 54.43  ? 27  TYR B CD1  1 
ATOM   2219 C CD2  . TYR B 1 27  ? 2.181   19.013  -4.648  1.00 54.88  ? 27  TYR B CD2  1 
ATOM   2220 C CE1  . TYR B 1 27  ? 0.990   20.686  -6.477  1.00 56.59  ? 27  TYR B CE1  1 
ATOM   2221 C CE2  . TYR B 1 27  ? 1.460   20.154  -4.221  1.00 57.39  ? 27  TYR B CE2  1 
ATOM   2222 C CZ   . TYR B 1 27  ? 0.882   20.963  -5.138  1.00 59.13  ? 27  TYR B CZ   1 
ATOM   2223 O OH   . TYR B 1 27  ? 0.178   22.052  -4.702  1.00 65.55  ? 27  TYR B OH   1 
ATOM   2224 H H    . TYR B 1 27  ? 0.900   17.288  -7.944  1.00 59.97  ? 27  TYR B H    1 
ATOM   2225 H HA   . TYR B 1 27  ? 2.919   15.590  -7.229  1.00 58.65  ? 27  TYR B HA   1 
ATOM   2226 H HB2  . TYR B 1 27  ? 3.646   17.173  -5.731  1.00 57.93  ? 27  TYR B HB2  1 
ATOM   2227 H HB3  . TYR B 1 27  ? 3.690   17.762  -7.206  1.00 57.93  ? 27  TYR B HB3  1 
ATOM   2228 H HD1  . TYR B 1 27  ? 1.766   19.376  -7.833  1.00 65.41  ? 27  TYR B HD1  1 
ATOM   2229 H HD2  . TYR B 1 27  ? 2.566   18.454  -4.012  1.00 65.95  ? 27  TYR B HD2  1 
ATOM   2230 H HE1  . TYR B 1 27  ? 0.586   21.249  -7.098  1.00 68.00  ? 27  TYR B HE1  1 
ATOM   2231 H HE2  . TYR B 1 27  ? 1.385   20.347  -3.315  1.00 68.96  ? 27  TYR B HE2  1 
ATOM   2232 H HH   . TYR B 1 27  ? 0.705   22.680  -4.520  1.00 78.75  ? 27  TYR B HH   1 
ATOM   2233 N N    . VAL B 1 28  ? 1.983   14.937  -4.996  1.00 46.17  ? 28  VAL B N    1 
ATOM   2234 C CA   . VAL B 1 28  ? 1.232   14.116  -4.044  1.00 45.14  ? 28  VAL B CA   1 
ATOM   2235 C C    . VAL B 1 28  ? 0.271   14.969  -3.186  1.00 44.07  ? 28  VAL B C    1 
ATOM   2236 O O    . VAL B 1 28  ? -0.907  14.652  -3.018  1.00 44.25  ? 28  VAL B O    1 
ATOM   2237 C CB   . VAL B 1 28  ? 2.231   13.330  -3.177  1.00 49.91  ? 28  VAL B CB   1 
ATOM   2238 C CG1  . VAL B 1 28  ? 1.602   12.899  -1.869  1.00 49.72  ? 28  VAL B CG1  1 
ATOM   2239 C CG2  . VAL B 1 28  ? 2.818   12.151  -3.972  1.00 55.47  ? 28  VAL B CG2  1 
ATOM   2240 H H    . VAL B 1 28  ? 2.836   14.868  -4.911  1.00 55.50  ? 28  VAL B H    1 
ATOM   2241 H HA   . VAL B 1 28  ? 0.673   13.494  -4.536  1.00 54.27  ? 28  VAL B HA   1 
ATOM   2242 H HB   . VAL B 1 28  ? 2.972   13.909  -2.940  1.00 59.98  ? 28  VAL B HB   1 
ATOM   2243 H HG11 . VAL B 1 28  ? 2.145   12.200  -1.472  1.00 59.76  ? 28  VAL B HG11 1 
ATOM   2244 H HG12 . VAL B 1 28  ? 1.558   13.663  -1.273  1.00 59.76  ? 28  VAL B HG12 1 
ATOM   2245 H HG13 . VAL B 1 28  ? 0.708   12.564  -2.044  1.00 59.76  ? 28  VAL B HG13 1 
ATOM   2246 H HG21 . VAL B 1 28  ? 2.937   11.396  -3.375  1.00 66.66  ? 28  VAL B HG21 1 
ATOM   2247 H HG22 . VAL B 1 28  ? 2.205   11.914  -4.685  1.00 66.66  ? 28  VAL B HG22 1 
ATOM   2248 H HG23 . VAL B 1 28  ? 3.673   12.416  -4.345  1.00 66.66  ? 28  VAL B HG23 1 
ATOM   2249 N N    . TYR B 1 29  ? 0.746   16.073  -2.644  1.00 43.91  ? 29  TYR B N    1 
ATOM   2250 C CA   . TYR B 1 29  ? -0.144  16.859  -1.808  1.00 50.34  ? 29  TYR B CA   1 
ATOM   2251 C C    . TYR B 1 29  ? -1.327  17.382  -2.628  1.00 49.10  ? 29  TYR B C    1 
ATOM   2252 O O    . TYR B 1 29  ? -2.500  17.264  -2.199  1.00 51.00  ? 29  TYR B O    1 
ATOM   2253 C CB   . TYR B 1 29  ? 0.654   18.025  -1.200  1.00 52.09  ? 29  TYR B CB   1 
ATOM   2254 C CG   . TYR B 1 29  ? -0.093  18.925  -0.219  1.00 55.34  ? 29  TYR B CG   1 
ATOM   2255 C CD1  . TYR B 1 29  ? -0.966  19.907  -0.681  1.00 58.75  ? 29  TYR B CD1  1 
ATOM   2256 C CD2  . TYR B 1 29  ? 0.097   18.805  1.164   1.00 54.46  ? 29  TYR B CD2  1 
ATOM   2257 C CE1  . TYR B 1 29  ? -1.657  20.727  0.215   1.00 61.81  ? 29  TYR B CE1  1 
ATOM   2258 C CE2  . TYR B 1 29  ? -0.569  19.611  2.058   1.00 56.22  ? 29  TYR B CE2  1 
ATOM   2259 C CZ   . TYR B 1 29  ? -1.453  20.570  1.588   1.00 65.77  ? 29  TYR B CZ   1 
ATOM   2260 O OH   . TYR B 1 29  ? -2.110  21.372  2.493   1.00 84.29  ? 29  TYR B OH   1 
ATOM   2261 H H    . TYR B 1 29  ? 1.544   16.379  -2.739  1.00 52.78  ? 29  TYR B H    1 
ATOM   2262 H HA   . TYR B 1 29  ? -0.496  16.314  -1.087  1.00 60.50  ? 29  TYR B HA   1 
ATOM   2263 H HB2  . TYR B 1 29  ? 1.413   17.654  -0.725  1.00 62.60  ? 29  TYR B HB2  1 
ATOM   2264 H HB3  . TYR B 1 29  ? 0.961   18.590  -1.927  1.00 62.60  ? 29  TYR B HB3  1 
ATOM   2265 H HD1  . TYR B 1 29  ? -1.091  20.017  -1.596  1.00 70.59  ? 29  TYR B HD1  1 
ATOM   2266 H HD2  . TYR B 1 29  ? 0.688   18.163  1.486   1.00 65.45  ? 29  TYR B HD2  1 
ATOM   2267 H HE1  . TYR B 1 29  ? -2.248  21.373  -0.100  1.00 74.27  ? 29  TYR B HE1  1 
ATOM   2268 H HE2  . TYR B 1 29  ? -0.427  19.514  2.972   1.00 67.55  ? 29  TYR B HE2  1 
ATOM   2269 H HH   . TYR B 1 29  ? -2.848  21.028  2.699   1.00 101.24 ? 29  TYR B HH   1 
ATOM   2270 N N    . GLY B 1 30  ? -1.033  17.891  -3.828  1.00 47.45  ? 30  GLY B N    1 
ATOM   2271 C CA   . GLY B 1 30  ? -2.061  18.398  -4.709  1.00 46.22  ? 30  GLY B CA   1 
ATOM   2272 C C    . GLY B 1 30  ? -3.063  17.325  -5.047  1.00 49.05  ? 30  GLY B C    1 
ATOM   2273 O O    . GLY B 1 30  ? -4.279  17.543  -4.959  1.00 44.81  ? 30  GLY B O    1 
ATOM   2274 H H    . GLY B 1 30  ? -0.238  17.950  -4.151  1.00 57.03  ? 30  GLY B H    1 
ATOM   2275 H HA2  . GLY B 1 30  ? -2.526  19.133  -4.279  1.00 55.55  ? 30  GLY B HA2  1 
ATOM   2276 H HA3  . GLY B 1 30  ? -1.658  18.718  -5.531  1.00 55.55  ? 30  GLY B HA3  1 
ATOM   2277 N N    . ILE B 1 31  ? -2.564  16.151  -5.396  1.00 41.75  ? 31  ILE B N    1 
ATOM   2278 C CA   . ILE B 1 31  ? -3.433  15.034  -5.767  1.00 42.42  ? 31  ILE B CA   1 
ATOM   2279 C C    . ILE B 1 31  ? -4.388  14.711  -4.623  1.00 45.09  ? 31  ILE B C    1 
ATOM   2280 O O    . ILE B 1 31  ? -5.605  14.534  -4.824  1.00 45.27  ? 31  ILE B O    1 
ATOM   2281 C CB   . ILE B 1 31  ? -2.590  13.801  -6.134  1.00 43.17  ? 31  ILE B CB   1 
ATOM   2282 C CG1  . ILE B 1 31  ? -1.748  14.121  -7.377  1.00 45.58  ? 31  ILE B CG1  1 
ATOM   2283 C CG2  . ILE B 1 31  ? -3.518  12.522  -6.369  1.00 44.76  ? 31  ILE B CG2  1 
ATOM   2284 C CD1  . ILE B 1 31  ? -0.516  13.218  -7.613  1.00 47.28  ? 31  ILE B CD1  1 
ATOM   2285 H H    . ILE B 1 31  ? -1.724  15.967  -5.429  1.00 50.19  ? 31  ILE B H    1 
ATOM   2286 H HA   . ILE B 1 31  ? -3.954  15.295  -6.543  1.00 50.99  ? 31  ILE B HA   1 
ATOM   2287 H HB   . ILE B 1 31  ? -1.996  13.590  -5.398  1.00 51.89  ? 31  ILE B HB   1 
ATOM   2288 H HG12 . ILE B 1 31  ? -2.317  14.038  -8.158  1.00 54.79  ? 31  ILE B HG12 1 
ATOM   2289 H HG13 . ILE B 1 31  ? -1.424  15.032  -7.298  1.00 54.79  ? 31  ILE B HG13 1 
ATOM   2290 H HG21 . ILE B 1 31  ? -2.995  11.827  -6.798  1.00 53.80  ? 31  ILE B HG21 1 
ATOM   2291 H HG22 . ILE B 1 31  ? -3.845  12.208  -5.511  1.00 53.80  ? 31  ILE B HG22 1 
ATOM   2292 H HG23 . ILE B 1 31  ? -4.264  12.772  -6.936  1.00 53.80  ? 31  ILE B HG23 1 
ATOM   2293 H HD11 . ILE B 1 31  ? -0.007  13.568  -8.361  1.00 56.83  ? 31  ILE B HD11 1 
ATOM   2294 H HD12 . ILE B 1 31  ? 0.031   13.215  -6.813  1.00 56.83  ? 31  ILE B HD12 1 
ATOM   2295 H HD13 . ILE B 1 31  ? -0.818  12.317  -7.811  1.00 56.83  ? 31  ILE B HD13 1 
ATOM   2296 N N    . ILE B 1 32  ? -3.831  14.583  -3.402  1.00 42.23  ? 32  ILE B N    1 
ATOM   2297 C CA   . ILE B 1 32  ? -4.635  14.170  -2.263  1.00 38.02  ? 32  ILE B CA   1 
ATOM   2298 C C    . ILE B 1 32  ? -5.765  15.170  -2.059  1.00 47.86  ? 32  ILE B C    1 
ATOM   2299 O O    . ILE B 1 32  ? -6.937  14.784  -1.884  1.00 41.96  ? 32  ILE B O    1 
ATOM   2300 C CB   . ILE B 1 32  ? -3.773  13.976  -1.004  1.00 39.35  ? 32  ILE B CB   1 
ATOM   2301 C CG1  . ILE B 1 32  ? -2.911  12.687  -1.163  1.00 39.33  ? 32  ILE B CG1  1 
ATOM   2302 C CG2  . ILE B 1 32  ? -4.634  13.984  0.205   1.00 43.53  ? 32  ILE B CG2  1 
ATOM   2303 C CD1  . ILE B 1 32  ? -1.841  12.511  -0.072  1.00 44.55  ? 32  ILE B CD1  1 
ATOM   2304 H H    . ILE B 1 32  ? -3.003  14.729  -3.222  1.00 50.77  ? 32  ILE B H    1 
ATOM   2305 H HA   . ILE B 1 32  ? -5.025  13.302  -2.451  1.00 45.72  ? 32  ILE B HA   1 
ATOM   2306 H HB   . ILE B 1 32  ? -3.152  14.713  -0.895  1.00 47.31  ? 32  ILE B HB   1 
ATOM   2307 H HG12 . ILE B 1 32  ? -3.497  11.914  -1.129  1.00 47.29  ? 32  ILE B HG12 1 
ATOM   2308 H HG13 . ILE B 1 32  ? -2.456  12.721  -2.019  1.00 47.29  ? 32  ILE B HG13 1 
ATOM   2309 H HG21 . ILE B 1 32  ? -4.146  13.587  0.943   1.00 52.33  ? 32  ILE B HG21 1 
ATOM   2310 H HG22 . ILE B 1 32  ? -4.869  14.901  0.419   1.00 52.33  ? 32  ILE B HG22 1 
ATOM   2311 H HG23 . ILE B 1 32  ? -5.437  13.471  0.024   1.00 52.33  ? 32  ILE B HG23 1 
ATOM   2312 H HD11 . ILE B 1 32  ? -1.115  11.974  -0.426  1.00 53.55  ? 32  ILE B HD11 1 
ATOM   2313 H HD12 . ILE B 1 32  ? -1.510  13.384  0.189   1.00 53.55  ? 32  ILE B HD12 1 
ATOM   2314 H HD13 . ILE B 1 32  ? -2.240  12.066  0.692   1.00 53.55  ? 32  ILE B HD13 1 
ATOM   2315 N N    . LYS B 1 33  ? -5.445  16.461  -2.168  1.00 46.56  ? 33  LYS B N    1 
ATOM   2316 C CA   . LYS B 1 33  ? -6.462  17.479  -1.977  1.00 47.35  ? 33  LYS B CA   1 
ATOM   2317 C C    . LYS B 1 33  ? -7.473  17.442  -3.086  1.00 46.71  ? 33  LYS B C    1 
ATOM   2318 O O    . LYS B 1 33  ? -8.658  17.570  -2.813  1.00 47.92  ? 33  LYS B O    1 
ATOM   2319 C CB   . LYS B 1 33  ? -5.843  18.850  -1.865  1.00 49.09  ? 33  LYS B CB   1 
ATOM   2320 C CG   . LYS B 1 33  ? -5.824  19.352  -0.430  1.00 59.96  ? 33  LYS B CG   1 
ATOM   2321 C CD   . LYS B 1 33  ? -5.419  20.810  -0.411  1.00 82.92  ? 33  LYS B CD   1 
ATOM   2322 C CE   . LYS B 1 33  ? -5.377  21.386  0.995   1.00 100.98 ? 33  LYS B CE   1 
ATOM   2323 N NZ   . LYS B 1 33  ? -4.850  22.795  1.006   1.00 125.10 ? 33  LYS B NZ   1 
ATOM   2324 H H    . LYS B 1 33  ? -4.660  16.763  -2.348  1.00 55.96  ? 33  LYS B H    1 
ATOM   2325 H HA   . LYS B 1 33  ? -6.917  17.302  -1.139  1.00 56.92  ? 33  LYS B HA   1 
ATOM   2326 H HB2  . LYS B 1 33  ? -4.928  18.813  -2.185  1.00 59.00  ? 33  LYS B HB2  1 
ATOM   2327 H HB3  . LYS B 1 33  ? -6.356  19.476  -2.399  1.00 59.00  ? 33  LYS B HB3  1 
ATOM   2328 H HG2  . LYS B 1 33  ? -6.709  19.267  -0.040  1.00 72.05  ? 33  LYS B HG2  1 
ATOM   2329 H HG3  . LYS B 1 33  ? -5.183  18.841  0.089   1.00 72.05  ? 33  LYS B HG3  1 
ATOM   2330 H HD2  . LYS B 1 33  ? -4.534  20.898  -0.798  1.00 99.60  ? 33  LYS B HD2  1 
ATOM   2331 H HD3  . LYS B 1 33  ? -6.060  21.324  -0.927  1.00 99.60  ? 33  LYS B HD3  1 
ATOM   2332 H HE2  . LYS B 1 33  ? -6.274  21.394  1.364   1.00 121.26 ? 33  LYS B HE2  1 
ATOM   2333 H HE3  . LYS B 1 33  ? -4.795  20.840  1.547   1.00 121.26 ? 33  LYS B HE3  1 
ATOM   2334 H HZ1  . LYS B 1 33  ? -4.908  23.136  1.827   1.00 150.21 ? 33  LYS B HZ1  1 
ATOM   2335 H HZ2  . LYS B 1 33  ? -3.998  22.804  0.749   1.00 150.21 ? 33  LYS B HZ2  1 
ATOM   2336 H HZ3  . LYS B 1 33  ? -5.325  23.302  0.449   1.00 150.21 ? 33  LYS B HZ3  1 
ATOM   2337 N N    . GLN B 1 34  ? -7.046  17.227  -4.334  1.00 45.88  ? 34  GLN B N    1 
ATOM   2338 C CA   . GLN B 1 34  ? -8.032  17.224  -5.422  1.00 47.35  ? 34  GLN B CA   1 
ATOM   2339 C C    . GLN B 1 34  ? -9.010  16.060  -5.268  1.00 46.02  ? 34  GLN B C    1 
ATOM   2340 O O    . GLN B 1 34  ? -10.224 16.205  -5.477  1.00 51.85  ? 34  GLN B O    1 
ATOM   2341 C CB   . GLN B 1 34  ? -7.368  17.142  -6.811  1.00 53.58  ? 34  GLN B CB   1 
ATOM   2342 C CG   . GLN B 1 34  ? -7.014  18.458  -7.607  1.00 62.60  ? 34  GLN B CG   1 
ATOM   2343 C CD   . GLN B 1 34  ? -6.555  18.138  -9.091  1.00 65.32  ? 34  GLN B CD   1 
ATOM   2344 O OE1  . GLN B 1 34  ? -6.615  16.978  -9.565  1.00 60.28  ? 34  GLN B OE1  1 
ATOM   2345 N NE2  . GLN B 1 34  ? -6.208  19.187  -9.833  1.00 68.23  ? 34  GLN B NE2  1 
ATOM   2346 H H    . GLN B 1 34  ? -6.230  17.086  -4.569  1.00 55.15  ? 34  GLN B H    1 
ATOM   2347 H HA   . GLN B 1 34  ? -8.507  18.068  -5.376  1.00 56.91  ? 34  GLN B HA   1 
ATOM   2348 H HB2  . GLN B 1 34  ? -6.532  16.664  -6.699  1.00 64.39  ? 34  GLN B HB2  1 
ATOM   2349 H HB3  . GLN B 1 34  ? -7.966  16.636  -7.383  1.00 64.39  ? 34  GLN B HB3  1 
ATOM   2350 H HG2  . GLN B 1 34  ? -7.797  19.029  -7.646  1.00 75.22  ? 34  GLN B HG2  1 
ATOM   2351 H HG3  . GLN B 1 34  ? -6.289  18.919  -7.156  1.00 75.22  ? 34  GLN B HG3  1 
ATOM   2352 H HE21 . GLN B 1 34  ? -6.241  19.979  -9.500  1.00 81.97  ? 34  GLN B HE21 1 
ATOM   2353 H HE22 . GLN B 1 34  ? -5.951  19.073  -10.646 1.00 81.97  ? 34  GLN B HE22 1 
ATOM   2354 N N    . VAL B 1 35  ? -8.500  14.881  -4.926  1.00 44.62  ? 35  VAL B N    1 
ATOM   2355 C CA   . VAL B 1 35  ? -9.361  13.712  -4.752  1.00 43.29  ? 35  VAL B CA   1 
ATOM   2356 C C    . VAL B 1 35  ? -10.273 13.904  -3.547  1.00 46.14  ? 35  VAL B C    1 
ATOM   2357 O O    . VAL B 1 35  ? -11.447 13.526  -3.584  1.00 39.41  ? 35  VAL B O    1 
ATOM   2358 C CB   . VAL B 1 35  ? -8.525  12.437  -4.620  1.00 42.52  ? 35  VAL B CB   1 
ATOM   2359 C CG1  . VAL B 1 35  ? -9.358  11.271  -4.130  1.00 34.96  ? 35  VAL B CG1  1 
ATOM   2360 C CG2  . VAL B 1 35  ? -7.884  12.044  -5.948  1.00 44.72  ? 35  VAL B CG2  1 
ATOM   2361 H H    . VAL B 1 35  ? -7.665  14.730  -4.788  1.00 53.64  ? 35  VAL B H    1 
ATOM   2362 H HA   . VAL B 1 35  ? -9.913  13.622  -5.545  1.00 52.04  ? 35  VAL B HA   1 
ATOM   2363 H HB   . VAL B 1 35  ? -7.830  12.629  -3.971  1.00 51.11  ? 35  VAL B HB   1 
ATOM   2364 H HG11 . VAL B 1 35  ? -8.816  10.466  -4.148  1.00 42.05  ? 35  VAL B HG11 1 
ATOM   2365 H HG12 . VAL B 1 35  ? -9.652  11.452  -3.223  1.00 42.05  ? 35  VAL B HG12 1 
ATOM   2366 H HG13 . VAL B 1 35  ? -10.126 11.165  -4.712  1.00 42.05  ? 35  VAL B HG13 1 
ATOM   2367 H HG21 . VAL B 1 35  ? -7.354  11.241  -5.818  1.00 53.76  ? 35  VAL B HG21 1 
ATOM   2368 H HG22 . VAL B 1 35  ? -8.583  11.877  -6.600  1.00 53.76  ? 35  VAL B HG22 1 
ATOM   2369 H HG23 . VAL B 1 35  ? -7.315  12.769  -6.251  1.00 53.76  ? 35  VAL B HG23 1 
ATOM   2370 N N    . LYS B 1 36  ? -9.764  14.474  -2.458  1.00 44.66  ? 36  LYS B N    1 
ATOM   2371 C CA   . LYS B 1 36  ? -10.652 14.761  -1.342  1.00 41.14  ? 36  LYS B CA   1 
ATOM   2372 C C    . LYS B 1 36  ? -11.799 15.655  -1.789  1.00 44.78  ? 36  LYS B C    1 
ATOM   2373 O O    . LYS B 1 36  ? -12.954 15.371  -1.470  1.00 47.29  ? 36  LYS B O    1 
ATOM   2374 C CB   . LYS B 1 36  ? -9.904  15.425  -0.216  1.00 46.28  ? 36  LYS B CB   1 
ATOM   2375 C CG   . LYS B 1 36  ? -10.813 15.650  0.962   1.00 53.44  ? 36  LYS B CG   1 
ATOM   2376 C CD   . LYS B 1 36  ? -9.996  16.229  2.082   1.00 50.65  ? 36  LYS B CD   1 
ATOM   2377 C CE   . LYS B 1 36  ? -10.863 16.687  3.210   1.00 65.84  ? 36  LYS B CE   1 
ATOM   2378 N NZ   . LYS B 1 36  ? -9.963  17.084  4.366   1.00 68.00  ? 36  LYS B NZ   1 
ATOM   2379 H H    . LYS B 1 36  ? -8.941  14.695  -2.346  1.00 53.68  ? 36  LYS B H    1 
ATOM   2380 H HA   . LYS B 1 36  ? -11.005 13.919  -1.013  1.00 49.46  ? 36  LYS B HA   1 
ATOM   2381 H HB2  . LYS B 1 36  ? -9.169  14.858  0.064   1.00 55.63  ? 36  LYS B HB2  1 
ATOM   2382 H HB3  . LYS B 1 36  ? -9.565  16.284  -0.514  1.00 55.63  ? 36  LYS B HB3  1 
ATOM   2383 H HG2  . LYS B 1 36  ? -11.517 16.274  0.725   1.00 64.22  ? 36  LYS B HG2  1 
ATOM   2384 H HG3  . LYS B 1 36  ? -11.198 14.808  1.251   1.00 64.22  ? 36  LYS B HG3  1 
ATOM   2385 H HD2  . LYS B 1 36  ? -9.388  15.553  2.420   1.00 60.87  ? 36  LYS B HD2  1 
ATOM   2386 H HD3  . LYS B 1 36  ? -9.495  16.991  1.753   1.00 60.87  ? 36  LYS B HD3  1 
ATOM   2387 H HE2  . LYS B 1 36  ? -11.388 17.455  2.936   1.00 79.10  ? 36  LYS B HE2  1 
ATOM   2388 H HE3  . LYS B 1 36  ? -11.449 15.968  3.494   1.00 79.10  ? 36  LYS B HE3  1 
ATOM   2389 H HZ1  . LYS B 1 36  ? -10.455 17.351  5.058   1.00 81.70  ? 36  LYS B HZ1  1 
ATOM   2390 H HZ2  . LYS B 1 36  ? -9.465  16.390  4.617   1.00 81.70  ? 36  LYS B HZ2  1 
ATOM   2391 H HZ3  . LYS B 1 36  ? -9.426  17.750  4.120   1.00 81.70  ? 36  LYS B HZ3  1 
ATOM   2392 N N    . GLU B 1 37  ? -11.506 16.751  -2.524  1.00 45.43  ? 37  GLU B N    1 
ATOM   2393 C CA   . GLU B 1 37  ? -12.582 17.658  -2.965  1.00 46.62  ? 37  GLU B CA   1 
ATOM   2394 C C    . GLU B 1 37  ? -13.567 16.937  -3.886  1.00 45.03  ? 37  GLU B C    1 
ATOM   2395 O O    . GLU B 1 37  ? -14.794 16.952  -3.690  1.00 45.34  ? 37  GLU B O    1 
ATOM   2396 C CB   . GLU B 1 37  ? -12.010 18.867  -3.720  1.00 56.03  ? 37  GLU B CB   1 
ATOM   2397 C CG   . GLU B 1 37  ? -11.443 20.027  -2.868  1.00 64.78  ? 37  GLU B CG   1 
ATOM   2398 C CD   . GLU B 1 37  ? -10.888 21.238  -3.683  1.00 77.17  ? 37  GLU B CD   1 
ATOM   2399 O OE1  . GLU B 1 37  ? -11.246 21.395  -4.884  1.00 79.48  ? 37  GLU B OE1  1 
ATOM   2400 O OE2  . GLU B 1 37  ? -10.045 22.003  -3.103  1.00 85.47  ? 37  GLU B OE2  1 
ATOM   2401 H H    . GLU B 1 37  ? -10.716 16.982  -2.772  1.00 54.61  ? 37  GLU B H    1 
ATOM   2402 H HA   . GLU B 1 37  ? -13.040 17.971  -2.169  1.00 56.04  ? 37  GLU B HA   1 
ATOM   2403 H HB2  . GLU B 1 37  ? -11.286 18.552  -4.284  1.00 67.33  ? 37  GLU B HB2  1 
ATOM   2404 H HB3  . GLU B 1 37  ? -12.718 19.240  -4.268  1.00 67.33  ? 37  GLU B HB3  1 
ATOM   2405 H HG2  . GLU B 1 37  ? -12.152 20.362  -2.297  1.00 77.83  ? 37  GLU B HG2  1 
ATOM   2406 H HG3  . GLU B 1 37  ? -10.715 19.683  -2.327  1.00 77.83  ? 37  GLU B HG3  1 
ATOM   2407 N N    . ALA B 1 38  ? -13.033 16.257  -4.887  1.00 38.51  ? 38  ALA B N    1 
ATOM   2408 C CA   . ALA B 1 38  ? -13.883 15.626  -5.882  1.00 46.67  ? 38  ALA B CA   1 
ATOM   2409 C C    . ALA B 1 38  ? -14.690 14.473  -5.303  1.00 47.29  ? 38  ALA B C    1 
ATOM   2410 O O    . ALA B 1 38  ? -15.712 14.079  -5.910  1.00 43.65  ? 38  ALA B O    1 
ATOM   2411 C CB   . ALA B 1 38  ? -13.055 15.088  -7.064  1.00 46.61  ? 38  ALA B CB   1 
ATOM   2412 H H    . ALA B 1 38  ? -12.190 16.147  -5.013  1.00 46.30  ? 38  ALA B H    1 
ATOM   2413 H HA   . ALA B 1 38  ? -14.486 16.306  -6.219  1.00 56.10  ? 38  ALA B HA   1 
ATOM   2414 H HB1  . ALA B 1 38  ? -13.658 14.779  -7.757  1.00 56.02  ? 38  ALA B HB1  1 
ATOM   2415 H HB2  . ALA B 1 38  ? -12.494 15.801  -7.407  1.00 56.02  ? 38  ALA B HB2  1 
ATOM   2416 H HB3  . ALA B 1 38  ? -12.502 14.353  -6.754  1.00 56.02  ? 38  ALA B HB3  1 
ATOM   2417 N N    . SER B 1 39  ? -14.254 13.896  -4.177  1.00 38.43  ? 39  SER B N    1 
ATOM   2418 C CA   . SER B 1 39  ? -14.957 12.778  -3.555  1.00 43.74  ? 39  SER B CA   1 
ATOM   2419 C C    . SER B 1 39  ? -15.880 13.268  -2.448  1.00 41.70  ? 39  SER B C    1 
ATOM   2420 O O    . SER B 1 39  ? -16.375 12.461  -1.656  1.00 42.09  ? 39  SER B O    1 
ATOM   2421 C CB   . SER B 1 39  ? -13.956 11.762  -3.007  1.00 40.14  ? 39  SER B CB   1 
ATOM   2422 O OG   . SER B 1 39  ? -13.241 12.313  -1.882  1.00 39.40  ? 39  SER B OG   1 
ATOM   2423 H H    . SER B 1 39  ? -13.546 14.139  -3.754  1.00 46.21  ? 39  SER B H    1 
ATOM   2424 H HA   . SER B 1 39  ? -15.490 12.316  -4.221  1.00 52.58  ? 39  SER B HA   1 
ATOM   2425 H HB2  . SER B 1 39  ? -14.434 10.968  -2.721  1.00 48.26  ? 39  SER B HB2  1 
ATOM   2426 H HB3  . SER B 1 39  ? -13.322 11.534  -3.705  1.00 48.26  ? 39  SER B HB3  1 
ATOM   2427 H HG   . SER B 1 39  ? -13.087 13.129  -2.011  1.00 47.37  ? 39  SER B HG   1 
ATOM   2428 N N    . ASN B 1 40  ? -16.051 14.591  -2.358  1.00 41.77  ? 40  ASN B N    1 
ATOM   2429 C CA   . ASN B 1 40  ? -16.833 15.212  -1.313  1.00 47.49  ? 40  ASN B CA   1 
ATOM   2430 C C    . ASN B 1 40  ? -16.447 14.692  0.045   1.00 50.68  ? 40  ASN B C    1 
ATOM   2431 O O    . ASN B 1 40  ? -17.288 14.470  0.921   1.00 48.32  ? 40  ASN B O    1 
ATOM   2432 C CB   . ASN B 1 40  ? -18.302 14.989  -1.597  1.00 48.80  ? 40  ASN B CB   1 
ATOM   2433 C CG   . ASN B 1 40  ? -18.673 15.665  -2.839  1.00 47.07  ? 40  ASN B CG   1 
ATOM   2434 O OD1  . ASN B 1 40  ? -18.498 16.903  -2.964  1.00 51.99  ? 40  ASN B OD1  1 
ATOM   2435 N ND2  . ASN B 1 40  ? -19.187 14.915  -3.769  1.00 50.01  ? 40  ASN B ND2  1 
ATOM   2436 H H    . ASN B 1 40  ? -15.711 15.156  -2.911  1.00 49.66  ? 40  ASN B H    1 
ATOM   2437 H HA   . ASN B 1 40  ? -16.656 16.166  -1.297  1.00 57.09  ? 40  ASN B HA   1 
ATOM   2438 H HB2  . ASN B 1 40  ? -18.476 14.040  -1.694  1.00 58.65  ? 40  ASN B HB2  1 
ATOM   2439 H HB3  . ASN B 1 40  ? -18.834 15.352  -0.872  1.00 58.65  ? 40  ASN B HB3  1 
ATOM   2440 H HD21 . ASN B 1 40  ? -19.423 15.263  -4.520  1.00 60.11  ? 40  ASN B HD21 1 
ATOM   2441 H HD22 . ASN B 1 40  ? -19.291 14.072  -3.634  1.00 60.11  ? 40  ASN B HD22 1 
ATOM   2442 N N    . GLY B 1 41  ? -15.133 14.511  0.210   1.00 47.29  ? 41  GLY B N    1 
ATOM   2443 C CA   . GLY B 1 41  ? -14.540 14.178  1.471   1.00 48.47  ? 41  GLY B CA   1 
ATOM   2444 C C    . GLY B 1 41  ? -14.531 12.712  1.824   1.00 45.54  ? 41  GLY B C    1 
ATOM   2445 O O    . GLY B 1 41  ? -13.972 12.365  2.878   1.00 46.87  ? 41  GLY B O    1 
ATOM   2446 H H    . GLY B 1 41  ? -14.558 14.581  -0.426  1.00 56.84  ? 41  GLY B H    1 
ATOM   2447 H HA2  . GLY B 1 41  ? -13.619 14.483  1.467   1.00 58.26  ? 41  GLY B HA2  1 
ATOM   2448 H HA3  . GLY B 1 41  ? -15.024 14.644  2.170   1.00 58.26  ? 41  GLY B HA3  1 
ATOM   2449 N N    . GLU B 1 42  ? -15.113 11.846  0.980   1.00 44.53  ? 42  GLU B N    1 
ATOM   2450 C CA   . GLU B 1 42  ? -15.240 10.413  1.249   1.00 45.11  ? 42  GLU B CA   1 
ATOM   2451 C C    . GLU B 1 42  ? -13.997 9.553   0.900   1.00 43.68  ? 42  GLU B C    1 
ATOM   2452 O O    . GLU B 1 42  ? -13.917 8.409   1.373   1.00 45.20  ? 42  GLU B O    1 
ATOM   2453 C CB   . GLU B 1 42  ? -16.451 9.860   0.510   1.00 49.03  ? 42  GLU B CB   1 
ATOM   2454 C CG   . GLU B 1 42  ? -17.784 10.323  1.099   1.00 48.57  ? 42  GLU B CG   1 
ATOM   2455 C CD   . GLU B 1 42  ? -17.861 9.913   2.555   1.00 50.73  ? 42  GLU B CD   1 
ATOM   2456 O OE1  . GLU B 1 42  ? -18.240 8.742   2.815   1.00 51.87  ? 42  GLU B OE1  1 
ATOM   2457 O OE2  . GLU B 1 42  ? -17.421 10.705  3.430   1.00 54.60  ? 42  GLU B OE2  1 
ATOM   2458 H H    . GLU B 1 42  ? -15.452 12.074  0.223   1.00 52.97  ? 42  GLU B H    1 
ATOM   2459 H HA   . GLU B 1 42  ? -15.371 10.317  2.205   1.00 53.67  ? 42  GLU B HA   1 
ATOM   2460 H HB2  . GLU B 1 42  ? -16.415 10.154  -0.413  1.00 58.93  ? 42  GLU B HB2  1 
ATOM   2461 H HB3  . GLU B 1 42  ? -16.427 8.891   0.552   1.00 58.93  ? 42  GLU B HB3  1 
ATOM   2462 H HG2  . GLU B 1 42  ? -17.852 11.289  1.041   1.00 58.38  ? 42  GLU B HG2  1 
ATOM   2463 H HG3  . GLU B 1 42  ? -18.518 9.910   0.617   1.00 58.38  ? 42  GLU B HG3  1 
ATOM   2464 N N    . MET B 1 43  ? -13.017 10.090  0.152   1.00 46.77  ? 43  MET B N    1 
ATOM   2465 C CA   . MET B 1 43  ? -11.759 9.395   -0.183  1.00 42.96  ? 43  MET B CA   1 
ATOM   2466 C C    . MET B 1 43  ? -10.632 10.372  0.162   1.00 41.11  ? 43  MET B C    1 
ATOM   2467 O O    . MET B 1 43  ? -10.361 11.281  -0.597  1.00 39.07  ? 43  MET B O    1 
ATOM   2468 C CB   . MET B 1 43  ? -11.750 9.024   -1.635  1.00 43.92  ? 43  MET B CB   1 
ATOM   2469 C CG   . MET B 1 43  ? -10.496 8.217   -2.071  1.00 45.33  ? 43  MET B CG   1 
ATOM   2470 S SD   . MET B 1 43  ? -10.597 7.681   -3.797  1.00 48.60  ? 43  MET B SD   1 
ATOM   2471 C CE   . MET B 1 43  ? -11.785 6.325   -3.608  1.00 51.63  ? 43  MET B CE   1 
ATOM   2472 H H    . MET B 1 43  ? -13.059 10.881  -0.183  1.00 56.22  ? 43  MET B H    1 
ATOM   2473 H HA   . MET B 1 43  ? -11.664 8.584   0.340   1.00 51.65  ? 43  MET B HA   1 
ATOM   2474 H HB2  . MET B 1 43  ? -12.531 8.480   -1.821  1.00 52.79  ? 43  MET B HB2  1 
ATOM   2475 H HB3  . MET B 1 43  ? -11.778 9.836   -2.164  1.00 52.79  ? 43  MET B HB3  1 
ATOM   2476 H HG2  . MET B 1 43  ? -9.708  8.775   -1.973  1.00 54.49  ? 43  MET B HG2  1 
ATOM   2477 H HG3  . MET B 1 43  ? -10.415 7.427   -1.513  1.00 54.49  ? 43  MET B HG3  1 
ATOM   2478 H HE1  . MET B 1 43  ? -11.806 5.808   -4.429  1.00 62.05  ? 43  MET B HE1  1 
ATOM   2479 H HE2  . MET B 1 43  ? -11.506 5.761   -2.870  1.00 62.05  ? 43  MET B HE2  1 
ATOM   2480 H HE3  . MET B 1 43  ? -12.662 6.696   -3.428  1.00 62.05  ? 43  MET B HE3  1 
ATOM   2481 N N    . GLU B 1 44  ? -10.062 10.245  1.336   1.00 46.98  ? 44  GLU B N    1 
ATOM   2482 C CA   . GLU B 1 44  ? -8.948  11.050  1.791   1.00 49.67  ? 44  GLU B CA   1 
ATOM   2483 C C    . GLU B 1 44  ? -7.745  10.113  1.833   1.00 54.10  ? 44  GLU B C    1 
ATOM   2484 O O    . GLU B 1 44  ? -7.589  9.310   2.760   1.00 53.33  ? 44  GLU B O    1 
ATOM   2485 C CB   . GLU B 1 44  ? -9.238  11.642  3.163   1.00 53.62  ? 44  GLU B CB   1 
ATOM   2486 C CG   . GLU B 1 44  ? -10.501 12.498  3.129   1.00 60.41  ? 44  GLU B CG   1 
ATOM   2487 C CD   . GLU B 1 44  ? -11.046 12.875  4.513   1.00 69.19  ? 44  GLU B CD   1 
ATOM   2488 O OE1  . GLU B 1 44  ? -10.222 12.820  5.482   1.00 62.41  ? 44  GLU B OE1  1 
ATOM   2489 O OE2  . GLU B 1 44  ? -12.300 13.245  4.606   1.00 62.00  ? 44  GLU B OE2  1 
ATOM   2490 H H    . GLU B 1 44  ? -10.314 9.668   1.921   1.00 56.47  ? 44  GLU B H    1 
ATOM   2491 H HA   . GLU B 1 44  ? -8.778  11.783  1.178   1.00 59.70  ? 44  GLU B HA   1 
ATOM   2492 H HB2  . GLU B 1 44  ? -9.368  10.924  3.803   1.00 64.43  ? 44  GLU B HB2  1 
ATOM   2493 H HB3  . GLU B 1 44  ? -8.493  12.200  3.438   1.00 64.43  ? 44  GLU B HB3  1 
ATOM   2494 H HG2  . GLU B 1 44  ? -10.304 13.322  2.657   1.00 72.59  ? 44  GLU B HG2  1 
ATOM   2495 H HG3  . GLU B 1 44  ? -11.196 12.007  2.664   1.00 72.59  ? 44  GLU B HG3  1 
ATOM   2496 N N    . LEU B 1 45  ? -6.915  10.182  0.817   1.00 46.37  ? 45  LEU B N    1 
ATOM   2497 C CA   . LEU B 1 45  ? -5.815  9.263   0.684   1.00 46.53  ? 45  LEU B CA   1 
ATOM   2498 C C    . LEU B 1 45  ? -4.690  9.778   1.563   1.00 50.13  ? 45  LEU B C    1 
ATOM   2499 O O    . LEU B 1 45  ? -4.579  10.998  1.744   1.00 41.74  ? 45  LEU B O    1 
ATOM   2500 C CB   . LEU B 1 45  ? -5.402  9.225   -0.781  1.00 47.37  ? 45  LEU B CB   1 
ATOM   2501 C CG   . LEU B 1 45  ? -6.630  8.751   -1.560  1.00 52.35  ? 45  LEU B CG   1 
ATOM   2502 C CD1  . LEU B 1 45  ? -6.374  9.102   -3.014  1.00 52.33  ? 45  LEU B CD1  1 
ATOM   2503 C CD2  . LEU B 1 45  ? -6.936  7.278   -1.409  1.00 56.83  ? 45  LEU B CD2  1 
ATOM   2504 H H    . LEU B 1 45  ? -6.969  10.761  0.184   1.00 55.73  ? 45  LEU B H    1 
ATOM   2505 H HA   . LEU B 1 45  ? -6.034  8.358   0.958   1.00 55.93  ? 45  LEU B HA   1 
ATOM   2506 H HB2  . LEU B 1 45  ? -5.143  10.110  -1.084  1.00 56.93  ? 45  LEU B HB2  1 
ATOM   2507 H HB3  . LEU B 1 45  ? -4.670  8.602   -0.912  1.00 56.93  ? 45  LEU B HB3  1 
ATOM   2508 H HG   . LEU B 1 45  ? -7.422  9.189   -1.209  1.00 62.91  ? 45  LEU B HG   1 
ATOM   2509 H HD11 . LEU B 1 45  ? -7.120  8.791   -3.551  1.00 62.89  ? 45  LEU B HD11 1 
ATOM   2510 H HD12 . LEU B 1 45  ? -6.287  10.065  -3.096  1.00 62.89  ? 45  LEU B HD12 1 
ATOM   2511 H HD13 . LEU B 1 45  ? -5.555  8.671   -3.304  1.00 62.89  ? 45  LEU B HD13 1 
ATOM   2512 H HD21 . LEU B 1 45  ? -7.684  7.050   -1.982  1.00 68.29  ? 45  LEU B HD21 1 
ATOM   2513 H HD22 . LEU B 1 45  ? -6.154  6.765   -1.667  1.00 68.29  ? 45  LEU B HD22 1 
ATOM   2514 H HD23 . LEU B 1 45  ? -7.161  7.095   -0.483  1.00 68.29  ? 45  LEU B HD23 1 
ATOM   2515 N N    . ASN B 1 46  ? -3.937  8.848   2.157   1.00 52.89  ? 46  ASN B N    1 
ATOM   2516 C CA   . ASN B 1 46  ? -2.699  9.141   2.891   1.00 54.25  ? 46  ASN B CA   1 
ATOM   2517 C C    . ASN B 1 46  ? -1.534  9.247   1.902   1.00 55.52  ? 46  ASN B C    1 
ATOM   2518 O O    . ASN B 1 46  ? -1.513  8.593   0.864   1.00 49.63  ? 46  ASN B O    1 
ATOM   2519 C CB   . ASN B 1 46  ? -2.414  8.043   3.943   1.00 54.39  ? 46  ASN B CB   1 
ATOM   2520 C CG   . ASN B 1 46  ? -3.086  8.320   5.336   1.00 71.07  ? 46  ASN B CG   1 
ATOM   2521 O OD1  . ASN B 1 46  ? -2.512  9.034   6.185   1.00 77.84  ? 46  ASN B OD1  1 
ATOM   2522 N ND2  . ASN B 1 46  ? -4.295  7.747   5.563   1.00 63.75  ? 46  ASN B ND2  1 
ATOM   2523 H H    . ASN B 1 46  ? -4.127  8.009   2.150   1.00 63.56  ? 46  ASN B H    1 
ATOM   2524 H HA   . ASN B 1 46  ? -2.782  9.982   3.368   1.00 65.20  ? 46  ASN B HA   1 
ATOM   2525 H HB2  . ASN B 1 46  ? -2.755  7.197   3.612   1.00 65.36  ? 46  ASN B HB2  1 
ATOM   2526 H HB3  . ASN B 1 46  ? -1.456  7.984   4.082   1.00 65.36  ? 46  ASN B HB3  1 
ATOM   2527 H HD21 . ASN B 1 46  ? -4.696  7.873   6.313   1.00 76.60  ? 46  ASN B HD21 1 
ATOM   2528 H HD22 . ASN B 1 46  ? -4.660  7.257   4.958   1.00 76.60  ? 46  ASN B HD22 1 
ATOM   2529 N N    . GLU B 1 47  ? -0.529  10.076  2.221   1.00 53.62  ? 47  GLU B N    1 
ATOM   2530 C CA   . GLU B 1 47  ? 0.612   10.161  1.315   1.00 43.93  ? 47  GLU B CA   1 
ATOM   2531 C C    . GLU B 1 47  ? 1.358   8.812   1.220   1.00 53.13  ? 47  GLU B C    1 
ATOM   2532 O O    . GLU B 1 47  ? 1.869   8.439   0.161   1.00 43.67  ? 47  GLU B O    1 
ATOM   2533 C CB   . GLU B 1 47  ? 1.565   11.271  1.769   1.00 55.34  ? 47  GLU B CB   1 
ATOM   2534 C CG   . GLU B 1 47  ? 0.918   12.663  1.745   1.00 51.41  ? 47  GLU B CG   1 
ATOM   2535 C CD   . GLU B 1 47  ? 1.907   13.772  2.069   1.00 62.83  ? 47  GLU B CD   1 
ATOM   2536 O OE1  . GLU B 1 47  ? 3.024   13.460  2.443   1.00 58.73  ? 47  GLU B OE1  1 
ATOM   2537 O OE2  . GLU B 1 47  ? 1.568   14.962  2.020   1.00 58.09  ? 47  GLU B OE2  1 
ATOM   2538 H H    . GLU B 1 47  ? -0.490  10.574  2.922   1.00 64.43  ? 47  GLU B H    1 
ATOM   2539 H HA   . GLU B 1 47  ? 0.287   10.386  0.430   1.00 52.80  ? 47  GLU B HA   1 
ATOM   2540 H HB2  . GLU B 1 47  ? 1.850   11.089  2.678   1.00 66.50  ? 47  GLU B HB2  1 
ATOM   2541 H HB3  . GLU B 1 47  ? 2.333   11.287  1.177   1.00 66.50  ? 47  GLU B HB3  1 
ATOM   2542 H HG2  . GLU B 1 47  ? 0.559   12.830  0.860   1.00 61.79  ? 47  GLU B HG2  1 
ATOM   2543 H HG3  . GLU B 1 47  ? 0.206   12.693  2.403   1.00 61.79  ? 47  GLU B HG3  1 
ATOM   2544 N N    . ALA B 1 48  ? 1.449   8.069   2.317   1.00 52.55  ? 48  ALA B N    1 
ATOM   2545 C CA   . ALA B 1 48  ? 2.194   6.803   2.272   1.00 52.59  ? 48  ALA B CA   1 
ATOM   2546 C C    . ALA B 1 48  ? 1.533   5.790   1.342   1.00 54.04  ? 48  ALA B C    1 
ATOM   2547 O O    . ALA B 1 48  ? 2.198   5.056   0.585   1.00 50.18  ? 48  ALA B O    1 
ATOM   2548 C CB   . ALA B 1 48  ? 2.268   6.226   3.675   1.00 61.23  ? 48  ALA B CB   1 
ATOM   2549 H H    . ALA B 1 48  ? 1.102   8.263   3.079   1.00 63.15  ? 48  ALA B H    1 
ATOM   2550 H HA   . ALA B 1 48  ? 3.088   6.978   1.940   1.00 63.20  ? 48  ALA B HA   1 
ATOM   2551 H HB1  . ALA B 1 48  ? 2.723   5.370   3.641   1.00 73.57  ? 48  ALA B HB1  1 
ATOM   2552 H HB2  . ALA B 1 48  ? 2.760   6.839   4.243   1.00 73.57  ? 48  ALA B HB2  1 
ATOM   2553 H HB3  . ALA B 1 48  ? 1.368   6.109   4.016   1.00 73.57  ? 48  ALA B HB3  1 
ATOM   2554 N N    . THR B 1 49  ? 0.200   5.736   1.412   1.00 52.83  ? 49  THR B N    1 
ATOM   2555 C CA   . THR B 1 49  ? -0.608  4.918   0.512   1.00 53.39  ? 49  THR B CA   1 
ATOM   2556 C C    . THR B 1 49  ? -0.316  5.244   -0.937  1.00 48.97  ? 49  THR B C    1 
ATOM   2557 O O    . THR B 1 49  ? -0.015  4.368   -1.762  1.00 53.63  ? 49  THR B O    1 
ATOM   2558 C CB   . THR B 1 49  ? -2.102  5.167   0.800   1.00 48.82  ? 49  THR B CB   1 
ATOM   2559 O OG1  . THR B 1 49  ? -2.393  4.903   2.172   1.00 51.89  ? 49  THR B OG1  1 
ATOM   2560 C CG2  . THR B 1 49  ? -2.915  4.252   -0.039  1.00 50.16  ? 49  THR B CG2  1 
ATOM   2561 H H    . THR B 1 49  ? -0.269  6.173   1.985   1.00 63.49  ? 49  THR B H    1 
ATOM   2562 H HA   . THR B 1 49  ? -0.400  3.983   0.669   1.00 64.16  ? 49  THR B HA   1 
ATOM   2563 H HB   . THR B 1 49  ? -2.324  6.090   0.601   1.00 58.68  ? 49  THR B HB   1 
ATOM   2564 H HG1  . THR B 1 49  ? -3.225  4.871   2.288   1.00 62.36  ? 49  THR B HG1  1 
ATOM   2565 H HG21 . THR B 1 49  ? -3.794  4.136   0.353   1.00 60.28  ? 49  THR B HG21 1 
ATOM   2566 H HG22 . THR B 1 49  ? -3.013  4.620   -0.931  1.00 60.28  ? 49  THR B HG22 1 
ATOM   2567 H HG23 . THR B 1 49  ? -2.482  3.386   -0.102  1.00 60.28  ? 49  THR B HG23 1 
ATOM   2568 N N    . LEU B 1 50  ? -0.403  6.533   -1.240  1.00 46.61  ? 50  LEU B N    1 
ATOM   2569 C CA   . LEU B 1 50  ? -0.155  7.031   -2.575  1.00 53.81  ? 50  LEU B CA   1 
ATOM   2570 C C    . LEU B 1 50  ? 1.244   6.676   -3.051  1.00 54.66  ? 50  LEU B C    1 
ATOM   2571 O O    . LEU B 1 50  ? 1.424   6.352   -4.230  1.00 55.65  ? 50  LEU B O    1 
ATOM   2572 C CB   . LEU B 1 50  ? -0.334  8.548   -2.576  1.00 47.50  ? 50  LEU B CB   1 
ATOM   2573 C CG   . LEU B 1 50  ? -0.632  9.212   -3.915  1.00 49.27  ? 50  LEU B CG   1 
ATOM   2574 C CD1  . LEU B 1 50  ? -1.085  10.581  -3.765  1.00 45.73  ? 50  LEU B CD1  1 
ATOM   2575 C CD2  . LEU B 1 50  ? 0.753   9.179   -4.577  1.00 61.44  ? 50  LEU B CD2  1 
ATOM   2576 H H    . LEU B 1 50  ? -0.608  7.150   -0.676  1.00 56.02  ? 50  LEU B H    1 
ATOM   2577 H HA   . LEU B 1 50  ? -0.790  6.630   -3.188  1.00 64.66  ? 50  LEU B HA   1 
ATOM   2578 H HB2  . LEU B 1 50  ? -1.073  8.761   -1.984  1.00 57.10  ? 50  LEU B HB2  1 
ATOM   2579 H HB3  . LEU B 1 50  ? 0.485   8.944   -2.240  1.00 57.10  ? 50  LEU B HB3  1 
ATOM   2580 H HG   . LEU B 1 50  ? -1.338  8.778   -4.418  1.00 59.22  ? 50  LEU B HG   1 
ATOM   2581 H HD11 . LEU B 1 50  ? -1.359  10.920  -4.631  1.00 54.97  ? 50  LEU B HD11 1 
ATOM   2582 H HD12 . LEU B 1 50  ? -1.836  10.599  -3.150  1.00 54.97  ? 50  LEU B HD12 1 
ATOM   2583 H HD13 . LEU B 1 50  ? -0.358  11.118  -3.414  1.00 54.97  ? 50  LEU B HD13 1 
ATOM   2584 H HD21 . LEU B 1 50  ? 0.915   10.030  -5.013  1.00 73.82  ? 50  LEU B HD21 1 
ATOM   2585 H HD22 . LEU B 1 50  ? 1.425   9.023   -3.895  1.00 73.82  ? 50  LEU B HD22 1 
ATOM   2586 H HD23 . LEU B 1 50  ? 0.773   8.463   -5.231  1.00 73.82  ? 50  LEU B HD23 1 
ATOM   2587 N N    . TYR B 1 51  ? 2.244   6.776   -2.161  1.00 52.12  ? 51  TYR B N    1 
ATOM   2588 C CA   . TYR B 1 51  ? 3.618   6.540   -2.589  1.00 59.34  ? 51  TYR B CA   1 
ATOM   2589 C C    . TYR B 1 51  ? 3.764   5.080   -2.947  1.00 55.52  ? 51  TYR B C    1 
ATOM   2590 O O    . TYR B 1 51  ? 4.377   4.765   -3.959  1.00 53.56  ? 51  TYR B O    1 
ATOM   2591 C CB   . TYR B 1 51  ? 4.632   7.020   -1.517  1.00 60.30  ? 51  TYR B CB   1 
ATOM   2592 C CG   . TYR B 1 51  ? 6.138   6.923   -1.896  1.00 50.99  ? 51  TYR B CG   1 
ATOM   2593 C CD1  . TYR B 1 51  ? 6.609   7.435   -3.098  1.00 52.48  ? 51  TYR B CD1  1 
ATOM   2594 C CD2  . TYR B 1 51  ? 7.045   6.306   -1.037  1.00 53.19  ? 51  TYR B CD2  1 
ATOM   2595 C CE1  . TYR B 1 51  ? 7.978   7.308   -3.439  1.00 58.42  ? 51  TYR B CE1  1 
ATOM   2596 C CE2  . TYR B 1 51  ? 8.363   6.187   -1.354  1.00 60.34  ? 51  TYR B CE2  1 
ATOM   2597 C CZ   . TYR B 1 51  ? 8.848   6.684   -2.552  1.00 59.36  ? 51  TYR B CZ   1 
ATOM   2598 O OH   . TYR B 1 51  ? 10.196  6.552   -2.867  1.00 63.03  ? 51  TYR B OH   1 
ATOM   2599 H H    . TYR B 1 51  ? 2.150   6.974   -1.329  1.00 62.64  ? 51  TYR B H    1 
ATOM   2600 H HA   . TYR B 1 51  ? 3.834   7.070   -3.372  1.00 71.30  ? 51  TYR B HA   1 
ATOM   2601 H HB2  . TYR B 1 51  ? 4.447   7.952   -1.322  1.00 72.46  ? 51  TYR B HB2  1 
ATOM   2602 H HB3  . TYR B 1 51  ? 4.505   6.483   -0.719  1.00 72.46  ? 51  TYR B HB3  1 
ATOM   2603 H HD1  . TYR B 1 51  ? 6.024   7.863   -3.680  1.00 63.07  ? 51  TYR B HD1  1 
ATOM   2604 H HD2  . TYR B 1 51  ? 6.742   5.966   -0.226  1.00 63.92  ? 51  TYR B HD2  1 
ATOM   2605 H HE1  . TYR B 1 51  ? 8.292   7.638   -4.250  1.00 70.19  ? 51  TYR B HE1  1 
ATOM   2606 H HE2  . TYR B 1 51  ? 8.943   5.768   -0.760  1.00 72.51  ? 51  TYR B HE2  1 
ATOM   2607 H HH   . TYR B 1 51  ? 10.585  6.097   -2.278  1.00 75.73  ? 51  TYR B HH   1 
ATOM   2608 N N    . THR B 1 52  ? 3.173   4.175   -2.157  1.00 53.69  ? 52  THR B N    1 
ATOM   2609 C CA   . THR B 1 52  ? 3.256   2.759   -2.518  1.00 60.50  ? 52  THR B CA   1 
ATOM   2610 C C    . THR B 1 52  ? 2.686   2.527   -3.908  1.00 61.96  ? 52  THR B C    1 
ATOM   2611 O O    . THR B 1 52  ? 3.269   1.817   -4.760  1.00 65.15  ? 52  THR B O    1 
ATOM   2612 C CB   . THR B 1 52  ? 2.483   1.891   -1.524  1.00 63.93  ? 52  THR B CB   1 
ATOM   2613 O OG1  . THR B 1 52  ? 3.028   2.034   -0.209  1.00 66.63  ? 52  THR B OG1  1 
ATOM   2614 C CG2  . THR B 1 52  ? 2.555   0.404   -1.976  1.00 70.99  ? 52  THR B CG2  1 
ATOM   2615 H H    . THR B 1 52  ? 2.736   4.349   -1.436  1.00 64.53  ? 52  THR B H    1 
ATOM   2616 H HA   . THR B 1 52  ? 4.191   2.503   -2.492  1.00 72.70  ? 52  THR B HA   1 
ATOM   2617 H HB   . THR B 1 52  ? 1.554   2.167   -1.494  1.00 76.81  ? 52  THR B HB   1 
ATOM   2618 H HG1  . THR B 1 52  ? 3.864   1.956   -0.235  1.00 80.05  ? 52  THR B HG1  1 
ATOM   2619 H HG21 . THR B 1 52  ? 1.966   -0.138  -1.428  1.00 85.28  ? 52  THR B HG21 1 
ATOM   2620 H HG22 . THR B 1 52  ? 2.282   0.326   -2.903  1.00 85.28  ? 52  THR B HG22 1 
ATOM   2621 H HG23 . THR B 1 52  ? 3.462   0.073   -1.885  1.00 85.28  ? 52  THR B HG23 1 
ATOM   2622 N N    . ILE B 1 53  ? 1.510   3.099   -4.142  1.00 62.16  ? 53  ILE B N    1 
ATOM   2623 C CA   . ILE B 1 53  ? 0.888   2.893   -5.437  1.00 61.74  ? 53  ILE B CA   1 
ATOM   2624 C C    . ILE B 1 53  ? 1.803   3.426   -6.525  1.00 67.22  ? 53  ILE B C    1 
ATOM   2625 O O    . ILE B 1 53  ? 2.027   2.763   -7.542  1.00 61.77  ? 53  ILE B O    1 
ATOM   2626 C CB   . ILE B 1 53  ? -0.478  3.573   -5.481  1.00 63.44  ? 53  ILE B CB   1 
ATOM   2627 C CG1  . ILE B 1 53  ? -1.345  2.867   -4.462  1.00 60.44  ? 53  ILE B CG1  1 
ATOM   2628 C CG2  . ILE B 1 53  ? -1.016  3.514   -6.870  1.00 71.55  ? 53  ILE B CG2  1 
ATOM   2629 C CD1  . ILE B 1 53  ? -2.321  3.778   -3.787  1.00 55.06  ? 53  ILE B CD1  1 
ATOM   2630 H H    . ILE B 1 53  ? 1.072   3.590   -3.589  1.00 74.69  ? 53  ILE B H    1 
ATOM   2631 H HA   . ILE B 1 53  ? 0.755   1.943   -5.579  1.00 74.18  ? 53  ILE B HA   1 
ATOM   2632 H HB   . ILE B 1 53  ? -0.436  4.515   -5.252  1.00 76.22  ? 53  ILE B HB   1 
ATOM   2633 H HG12 . ILE B 1 53  ? -1.849  2.168   -4.909  1.00 72.62  ? 53  ILE B HG12 1 
ATOM   2634 H HG13 . ILE B 1 53  ? -0.776  2.480   -3.779  1.00 72.62  ? 53  ILE B HG13 1 
ATOM   2635 H HG21 . ILE B 1 53  ? -1.972  3.672   -6.845  1.00 85.95  ? 53  ILE B HG21 1 
ATOM   2636 H HG22 . ILE B 1 53  ? -0.582  4.196   -7.406  1.00 85.95  ? 53  ILE B HG22 1 
ATOM   2637 H HG23 . ILE B 1 53  ? -0.835  2.637   -7.241  1.00 85.95  ? 53  ILE B HG23 1 
ATOM   2638 H HD11 . ILE B 1 53  ? -2.736  3.305   -3.049  1.00 66.17  ? 53  ILE B HD11 1 
ATOM   2639 H HD12 . ILE B 1 53  ? -1.848  4.558   -3.456  1.00 66.17  ? 53  ILE B HD12 1 
ATOM   2640 H HD13 . ILE B 1 53  ? -2.996  4.049   -4.428  1.00 66.17  ? 53  ILE B HD13 1 
ATOM   2641 N N    . PHE B 1 54  ? 2.324   4.655   -6.340  1.00 61.59  ? 54  PHE B N    1 
ATOM   2642 C CA   . PHE B 1 54  ? 3.100   5.265   -7.424  1.00 73.17  ? 54  PHE B CA   1 
ATOM   2643 C C    . PHE B 1 54  ? 4.423   4.515   -7.651  1.00 73.10  ? 54  PHE B C    1 
ATOM   2644 O O    . PHE B 1 54  ? 4.921   4.469   -8.781  1.00 67.33  ? 54  PHE B O    1 
ATOM   2645 C CB   . PHE B 1 54  ? 3.416   6.743   -7.200  1.00 57.25  ? 54  PHE B CB   1 
ATOM   2646 C CG   . PHE B 1 54  ? 2.277   7.649   -7.364  1.00 57.09  ? 54  PHE B CG   1 
ATOM   2647 C CD1  . PHE B 1 54  ? 1.059   7.195   -7.839  1.00 58.87  ? 54  PHE B CD1  1 
ATOM   2648 C CD2  . PHE B 1 54  ? 2.439   8.994   -7.149  1.00 54.11  ? 54  PHE B CD2  1 
ATOM   2649 C CE1  . PHE B 1 54  ? -0.003  8.061   -7.986  1.00 54.71  ? 54  PHE B CE1  1 
ATOM   2650 C CE2  . PHE B 1 54  ? 1.408   9.867   -7.340  1.00 60.33  ? 54  PHE B CE2  1 
ATOM   2651 C CZ   . PHE B 1 54  ? 0.178   9.398   -7.730  1.00 55.17  ? 54  PHE B CZ   1 
ATOM   2652 H H    . PHE B 1 54  ? 2.243   5.131   -5.629  1.00 74.00  ? 54  PHE B H    1 
ATOM   2653 H HA   . PHE B 1 54  ? 2.536   5.220   -8.211  1.00 87.90  ? 54  PHE B HA   1 
ATOM   2654 H HB2  . PHE B 1 54  ? 3.747   6.853   -6.295  1.00 68.79  ? 54  PHE B HB2  1 
ATOM   2655 H HB3  . PHE B 1 54  ? 4.096   7.012   -7.837  1.00 68.79  ? 54  PHE B HB3  1 
ATOM   2656 H HD1  . PHE B 1 54  ? 0.957   6.298   -8.062  1.00 70.73  ? 54  PHE B HD1  1 
ATOM   2657 H HD2  . PHE B 1 54  ? 3.265   9.317   -6.869  1.00 65.03  ? 54  PHE B HD2  1 
ATOM   2658 H HE1  . PHE B 1 54  ? -0.834  7.743   -8.255  1.00 65.74  ? 54  PHE B HE1  1 
ATOM   2659 H HE2  . PHE B 1 54  ? 1.537   10.778  -7.205  1.00 72.48  ? 54  PHE B HE2  1 
ATOM   2660 H HZ   . PHE B 1 54  ? -0.535  9.988   -7.821  1.00 66.30  ? 54  PHE B HZ   1 
ATOM   2661 N N    . LYS B 1 55  ? 5.003   3.940   -6.603  1.00 61.76  ? 55  LYS B N    1 
ATOM   2662 C CA   . LYS B 1 55  ? 6.172   3.065   -6.788  1.00 68.32  ? 55  LYS B CA   1 
ATOM   2663 C C    . LYS B 1 55  ? 5.821   1.875   -7.695  1.00 75.27  ? 55  LYS B C    1 
ATOM   2664 O O    . LYS B 1 55  ? 6.563   1.544   -8.638  1.00 73.79  ? 55  LYS B O    1 
ATOM   2665 C CB   . LYS B 1 55  ? 6.697   2.579   -5.437  1.00 61.63  ? 55  LYS B CB   1 
ATOM   2666 C CG   . LYS B 1 55  ? 7.478   3.634   -4.635  1.00 64.30  ? 55  LYS B CG   1 
ATOM   2667 C CD   . LYS B 1 55  ? 8.218   2.971   -3.467  1.00 71.07  ? 55  LYS B CD   1 
ATOM   2668 C CE   . LYS B 1 55  ? 7.239   2.616   -2.344  1.00 67.56  ? 55  LYS B CE   1 
ATOM   2669 N NZ   . LYS B 1 55  ? 7.900   2.051   -1.111  1.00 68.82  ? 55  LYS B NZ   1 
ATOM   2670 H H    . LYS B 1 55  ? 4.750   4.033   -5.786  1.00 74.21  ? 55  LYS B H    1 
ATOM   2671 H HA   . LYS B 1 55  ? 6.880   3.576   -7.211  1.00 82.07  ? 55  LYS B HA   1 
ATOM   2672 H HB2  . LYS B 1 55  ? 5.942   2.300   -4.896  1.00 74.05  ? 55  LYS B HB2  1 
ATOM   2673 H HB3  . LYS B 1 55  ? 7.291   1.829   -5.590  1.00 74.05  ? 55  LYS B HB3  1 
ATOM   2674 H HG2  . LYS B 1 55  ? 8.129   4.065   -5.210  1.00 77.25  ? 55  LYS B HG2  1 
ATOM   2675 H HG3  . LYS B 1 55  ? 6.863   4.293   -4.277  1.00 77.25  ? 55  LYS B HG3  1 
ATOM   2676 H HD2  . LYS B 1 55  ? 8.646   2.156   -3.774  1.00 85.37  ? 55  LYS B HD2  1 
ATOM   2677 H HD3  . LYS B 1 55  ? 8.884   3.583   -3.115  1.00 85.37  ? 55  LYS B HD3  1 
ATOM   2678 H HE2  . LYS B 1 55  ? 6.762   3.419   -2.081  1.00 81.16  ? 55  LYS B HE2  1 
ATOM   2679 H HE3  . LYS B 1 55  ? 6.615   1.951   -2.674  1.00 81.16  ? 55  LYS B HE3  1 
ATOM   2680 H HZ1  . LYS B 1 55  ? 7.288   1.877   -0.490  1.00 82.67  ? 55  LYS B HZ1  1 
ATOM   2681 H HZ2  . LYS B 1 55  ? 8.329   1.298   -1.313  1.00 82.67  ? 55  LYS B HZ2  1 
ATOM   2682 H HZ3  . LYS B 1 55  ? 8.485   2.637   -0.784  1.00 82.67  ? 55  LYS B HZ3  1 
ATOM   2683 N N    . ARG B 1 56  ? 4.709   1.181   -7.399  1.00 84.85  ? 56  ARG B N    1 
ATOM   2684 C CA   . ARG B 1 56  ? 4.345   0.065   -8.273  1.00 86.20  ? 56  ARG B CA   1 
ATOM   2685 C C    . ARG B 1 56  ? 4.161   0.554   -9.715  1.00 85.79  ? 56  ARG B C    1 
ATOM   2686 O O    . ARG B 1 56  ? 4.645   -0.079  -10.665 1.00 90.39  ? 56  ARG B O    1 
ATOM   2687 C CB   . ARG B 1 56  ? 3.094   -0.676  -7.741  1.00 92.19  ? 56  ARG B CB   1 
ATOM   2688 C CG   . ARG B 1 56  ? 3.357   -1.543  -6.460  1.00 89.92  ? 56  ARG B CG   1 
ATOM   2689 C CD   . ARG B 1 56  ? 2.197   -2.407  -5.862  1.00 98.52  ? 56  ARG B CD   1 
ATOM   2690 N NE   . ARG B 1 56  ? 1.783   -3.515  -6.726  1.00 107.12 ? 56  ARG B NE   1 
ATOM   2691 C CZ   . ARG B 1 56  ? 0.694   -4.259  -6.558  1.00 118.40 ? 56  ARG B CZ   1 
ATOM   2692 N NH1  . ARG B 1 56  ? -0.120  -4.082  -5.532  1.00 117.37 ? 56  ARG B NH1  1 
ATOM   2693 N NH2  . ARG B 1 56  ? 0.405   -5.203  -7.452  1.00 107.62 ? 56  ARG B NH2  1 
ATOM   2694 H H    . ARG B 1 56  ? 4.182   1.331   -6.736  1.00 101.92 ? 56  ARG B H    1 
ATOM   2695 H HA   . ARG B 1 56  ? 5.060   -0.590  -8.270  1.00 103.54 ? 56  ARG B HA   1 
ATOM   2696 H HB2  . ARG B 1 56  ? 2.416   -0.019  -7.518  1.00 110.73 ? 56  ARG B HB2  1 
ATOM   2697 H HB3  . ARG B 1 56  ? 2.767   -1.269  -8.436  1.00 110.73 ? 56  ARG B HB3  1 
ATOM   2698 H HG2  . ARG B 1 56  ? 4.073   -2.162  -6.671  1.00 108.00 ? 56  ARG B HG2  1 
ATOM   2699 H HG3  . ARG B 1 56  ? 3.636   -0.940  -5.754  1.00 108.00 ? 56  ARG B HG3  1 
ATOM   2700 H HD2  . ARG B 1 56  ? 2.491   -2.784  -5.018  1.00 118.31 ? 56  ARG B HD2  1 
ATOM   2701 H HD3  . ARG B 1 56  ? 1.424   -1.838  -5.721  1.00 118.31 ? 56  ARG B HD3  1 
ATOM   2702 H HE   . ARG B 1 56  ? 2.287   -3.701  -7.398  1.00 128.64 ? 56  ARG B HE   1 
ATOM   2703 H HH11 . ARG B 1 56  ? 0.049   -3.472  -4.950  1.00 140.94 ? 56  ARG B HH11 1 
ATOM   2704 H HH12 . ARG B 1 56  ? -0.818  -4.577  -5.447  1.00 140.94 ? 56  ARG B HH12 1 
ATOM   2705 H HH21 . ARG B 1 56  ? 0.920   -5.326  -8.129  1.00 129.24 ? 56  ARG B HH21 1 
ATOM   2706 H HH22 . ARG B 1 56  ? -0.298  -5.689  -7.352  1.00 129.24 ? 56  ARG B HH22 1 
ATOM   2707 N N    . LEU B 1 57  ? 3.517   1.719   -9.891  1.00 84.59  ? 57  LEU B N    1 
ATOM   2708 C CA   . LEU B 1 57  ? 3.178   2.208   -11.238 1.00 85.25  ? 57  LEU B CA   1 
ATOM   2709 C C    . LEU B 1 57  ? 4.395   2.710   -12.025 1.00 80.77  ? 57  LEU B C    1 
ATOM   2710 O O    . LEU B 1 57  ? 4.469   2.511   -13.253 1.00 80.80  ? 57  LEU B O    1 
ATOM   2711 C CB   . LEU B 1 57  ? 2.134   3.319   -11.135 1.00 74.02  ? 57  LEU B CB   1 
ATOM   2712 C CG   . LEU B 1 57  ? 0.702   2.836   -10.884 1.00 70.40  ? 57  LEU B CG   1 
ATOM   2713 C CD1  . LEU B 1 57  ? -0.163  3.952   -10.401 1.00 64.69  ? 57  LEU B CD1  1 
ATOM   2714 C CD2  . LEU B 1 57  ? 0.151   2.272   -12.171 1.00 84.08  ? 57  LEU B CD2  1 
ATOM   2715 H H    . LEU B 1 57  ? 3.268   2.241   -9.255  1.00 101.61 ? 57  LEU B H    1 
ATOM   2716 H HA   . LEU B 1 57  ? 2.808   1.460   -11.732 1.00 102.40 ? 57  LEU B HA   1 
ATOM   2717 H HB2  . LEU B 1 57  ? 2.378   3.902   -10.399 1.00 88.91  ? 57  LEU B HB2  1 
ATOM   2718 H HB3  . LEU B 1 57  ? 2.133   3.817   -11.967 1.00 88.91  ? 57  LEU B HB3  1 
ATOM   2719 H HG   . LEU B 1 57  ? 0.702   2.150   -10.198 1.00 84.58  ? 57  LEU B HG   1 
ATOM   2720 H HD11 . LEU B 1 57  ? -1.033  3.596   -10.161 1.00 77.72  ? 57  LEU B HD11 1 
ATOM   2721 H HD12 . LEU B 1 57  ? 0.252   4.361   -9.626  1.00 77.72  ? 57  LEU B HD12 1 
ATOM   2722 H HD13 . LEU B 1 57  ? -0.258  4.607   -11.110 1.00 77.72  ? 57  LEU B HD13 1 
ATOM   2723 H HD21 . LEU B 1 57  ? -0.796  2.095   -12.058 1.00 100.98 ? 57  LEU B HD21 1 
ATOM   2724 H HD22 . LEU B 1 57  ? 0.285   2.918   -12.882 1.00 100.98 ? 57  LEU B HD22 1 
ATOM   2725 H HD23 . LEU B 1 57  ? 0.618   1.448   -12.380 1.00 100.98 ? 57  LEU B HD23 1 
ATOM   2726 N N    . GLU B 1 58  ? 5.340   3.391   -11.348 1.00 88.30  ? 58  GLU B N    1 
ATOM   2727 C CA   . GLU B 1 58  ? 6.599   3.751   -12.000 1.00 87.11  ? 58  GLU B CA   1 
ATOM   2728 C C    . GLU B 1 58  ? 7.405   2.509   -12.344 1.00 85.15  ? 58  GLU B C    1 
ATOM   2729 O O    . GLU B 1 58  ? 8.043   2.483   -13.400 1.00 84.04  ? 58  GLU B O    1 
ATOM   2730 C CB   . GLU B 1 58  ? 7.457   4.690   -11.127 1.00 83.27  ? 58  GLU B CB   1 
ATOM   2731 C CG   . GLU B 1 58  ? 8.696   5.315   -11.873 1.00 81.28  ? 58  GLU B CG   1 
ATOM   2732 C CD   . GLU B 1 58  ? 9.193   6.685   -11.280 1.00 77.34  ? 58  GLU B CD   1 
ATOM   2733 O OE1  . GLU B 1 58  ? 8.535   7.197   -10.337 1.00 74.01  ? 58  GLU B OE1  1 
ATOM   2734 O OE2  . GLU B 1 58  ? 10.253  7.231   -11.735 1.00 73.25  ? 58  GLU B OE2  1 
ATOM   2735 H H    . GLU B 1 58  ? 5.272   3.647   -10.530 1.00 106.05 ? 58  GLU B H    1 
ATOM   2736 H HA   . GLU B 1 58  ? 6.379   4.237   -12.811 1.00 104.62 ? 58  GLU B HA   1 
ATOM   2737 H HB2  . GLU B 1 58  ? 6.900   5.422   -10.819 1.00 100.01 ? 58  GLU B HB2  1 
ATOM   2738 H HB3  . GLU B 1 58  ? 7.793   4.188   -10.369 1.00 100.01 ? 58  GLU B HB3  1 
ATOM   2739 H HG2  . GLU B 1 58  ? 9.435   4.689   -11.821 1.00 97.63  ? 58  GLU B HG2  1 
ATOM   2740 H HG3  . GLU B 1 58  ? 8.454   5.467   -12.800 1.00 97.63  ? 58  GLU B HG3  1 
ATOM   2741 N N    . LYS B 1 59  ? 7.335   1.439   -11.530 1.00 86.24  ? 59  LYS B N    1 
ATOM   2742 C CA   . LYS B 1 59  ? 8.106   0.255   -11.927 1.00 93.20  ? 59  LYS B CA   1 
ATOM   2743 C C    . LYS B 1 59  ? 7.476   -0.433  -13.140 1.00 98.04  ? 59  LYS B C    1 
ATOM   2744 O O    . LYS B 1 59  ? 8.085   -1.343  -13.721 1.00 79.12  ? 59  LYS B O    1 
ATOM   2745 C CB   . LYS B 1 59  ? 8.285   -0.770  -10.798 1.00 93.40  ? 59  LYS B CB   1 
ATOM   2746 C CG   . LYS B 1 59  ? 9.539   -1.635  -11.056 1.00 106.30 ? 59  LYS B CG   1 
ATOM   2747 C CD   . LYS B 1 59  ? 9.737   -2.800  -10.079 1.00 109.47 ? 59  LYS B CD   1 
ATOM   2748 C CE   . LYS B 1 59  ? 8.727   -3.912  -10.308 1.00 108.02 ? 59  LYS B CE   1 
ATOM   2749 N NZ   . LYS B 1 59  ? 8.991   -5.112  -9.457  1.00 99.66  ? 59  LYS B NZ   1 
ATOM   2750 H H    . LYS B 1 59  ? 6.883   1.382   -10.801 1.00 103.58 ? 59  LYS B H    1 
ATOM   2751 H HA   . LYS B 1 59  ? 9.004   0.557   -12.136 1.00 111.93 ? 59  LYS B HA   1 
ATOM   2752 H HB2  . LYS B 1 59  ? 8.394   -0.307  -9.952  1.00 112.17 ? 59  LYS B HB2  1 
ATOM   2753 H HB3  . LYS B 1 59  ? 7.509   -1.351  -10.760 1.00 112.17 ? 59  LYS B HB3  1 
ATOM   2754 H HG2  . LYS B 1 59  ? 9.475   -2.012  -11.947 1.00 127.66 ? 59  LYS B HG2  1 
ATOM   2755 H HG3  . LYS B 1 59  ? 10.323  -1.067  -10.992 1.00 127.66 ? 59  LYS B HG3  1 
ATOM   2756 H HD2  . LYS B 1 59  ? 10.626  -3.169  -10.198 1.00 131.45 ? 59  LYS B HD2  1 
ATOM   2757 H HD3  . LYS B 1 59  ? 9.630   -2.477  -9.171  1.00 131.45 ? 59  LYS B HD3  1 
ATOM   2758 H HE2  . LYS B 1 59  ? 7.840   -3.582  -10.095 1.00 129.71 ? 59  LYS B HE2  1 
ATOM   2759 H HE3  . LYS B 1 59  ? 8.765   -4.188  -11.237 1.00 129.71 ? 59  LYS B HE3  1 
ATOM   2760 H HZ1  . LYS B 1 59  ? 8.458   -5.781  -9.701  1.00 119.68 ? 59  LYS B HZ1  1 
ATOM   2761 H HZ2  . LYS B 1 59  ? 9.838   -5.369  -9.548  1.00 119.68 ? 59  LYS B HZ2  1 
ATOM   2762 H HZ3  . LYS B 1 59  ? 8.838   -4.918  -8.602  1.00 119.68 ? 59  LYS B HZ3  1 
ATOM   2763 N N    . ASP B 1 60  ? 6.228   -0.081  -13.491 1.00 89.88  ? 60  ASP B N    1 
ATOM   2764 C CA   . ASP B 1 60  ? 5.585   -0.674  -14.658 1.00 86.45  ? 60  ASP B CA   1 
ATOM   2765 C C    . ASP B 1 60  ? 5.641   0.184   -15.911 1.00 84.05  ? 60  ASP B C    1 
ATOM   2766 O O    . ASP B 1 60  ? 5.161   -0.257  -16.963 1.00 87.02  ? 60  ASP B O    1 
ATOM   2767 C CB   . ASP B 1 60  ? 4.110   -0.987  -14.352 1.00 88.18  ? 60  ASP B CB   1 
ATOM   2768 C CG   . ASP B 1 60  ? 3.966   -2.229  -13.519 1.00 94.00  ? 60  ASP B CG   1 
ATOM   2769 O OD1  . ASP B 1 60  ? 4.713   -2.296  -12.510 1.00 94.66  ? 60  ASP B OD1  1 
ATOM   2770 O OD2  . ASP B 1 60  ? 3.169   -3.140  -13.886 1.00 93.32  ? 60  ASP B OD2  1 
ATOM   2771 H H    . ASP B 1 60  ? 5.746   0.492   -13.069 1.00 107.95 ? 60  ASP B H    1 
ATOM   2772 H HA   . ASP B 1 60  ? 6.055   -1.501  -14.847 1.00 103.83 ? 60  ASP B HA   1 
ATOM   2773 H HB2  . ASP B 1 60  ? 3.720   -0.246  -13.862 1.00 105.91 ? 60  ASP B HB2  1 
ATOM   2774 H HB3  . ASP B 1 60  ? 3.631   -1.122  -15.185 1.00 105.91 ? 60  ASP B HB3  1 
ATOM   2775 N N    . GLY B 1 61  ? 6.255   1.351   -15.861 1.00 77.20  ? 61  GLY B N    1 
ATOM   2776 C CA   . GLY B 1 61  ? 6.257   2.204   -17.027 1.00 82.54  ? 61  GLY B CA   1 
ATOM   2777 C C    . GLY B 1 61  ? 4.967   2.956   -17.262 1.00 77.49  ? 61  GLY B C    1 
ATOM   2778 O O    . GLY B 1 61  ? 4.876   3.710   -18.240 1.00 77.97  ? 61  GLY B O    1 
ATOM   2779 H H    . GLY B 1 61  ? 6.669   1.664   -15.175 1.00 92.73  ? 61  GLY B H    1 
ATOM   2780 H HA2  . GLY B 1 61  ? 6.968   2.857   -16.933 1.00 99.14  ? 61  GLY B HA2  1 
ATOM   2781 H HA3  . GLY B 1 61  ? 6.429   1.659   -17.810 1.00 99.14  ? 61  GLY B HA3  1 
ATOM   2782 N N    . ILE B 1 62  ? 3.962   2.770   -16.406 1.00 76.85  ? 62  ILE B N    1 
ATOM   2783 C CA   . ILE B 1 62  ? 2.740   3.544   -16.542 1.00 76.21  ? 62  ILE B CA   1 
ATOM   2784 C C    . ILE B 1 62  ? 3.002   4.986   -16.140 1.00 77.83  ? 62  ILE B C    1 
ATOM   2785 O O    . ILE B 1 62  ? 2.557   5.930   -16.797 1.00 73.61  ? 62  ILE B O    1 
ATOM   2786 C CB   . ILE B 1 62  ? 1.622   2.904   -15.703 1.00 71.10  ? 62  ILE B CB   1 
ATOM   2787 C CG1  . ILE B 1 62  ? 1.592   1.427   -16.055 1.00 84.89  ? 62  ILE B CG1  1 
ATOM   2788 C CG2  . ILE B 1 62  ? 0.336   3.595   -15.934 1.00 56.55  ? 62  ILE B CG2  1 
ATOM   2789 C CD1  . ILE B 1 62  ? 0.482   0.668   -15.417 1.00 85.36  ? 62  ILE B CD1  1 
ATOM   2790 H H    . ILE B 1 62  ? 3.966   2.212   -15.752 1.00 92.31  ? 62  ILE B H    1 
ATOM   2791 H HA   . ILE B 1 62  ? 2.454   3.539   -17.468 1.00 91.54  ? 62  ILE B HA   1 
ATOM   2792 H HB   . ILE B 1 62  ? 1.790   2.995   -14.752 1.00 85.41  ? 62  ILE B HB   1 
ATOM   2793 H HG12 . ILE B 1 62  ? 1.494   1.339   -17.016 1.00 101.96 ? 62  ILE B HG12 1 
ATOM   2794 H HG13 . ILE B 1 62  ? 2.426   1.023   -15.768 1.00 101.96 ? 62  ILE B HG13 1 
ATOM   2795 H HG21 . ILE B 1 62  ? -0.282  3.356   -15.226 1.00 67.95  ? 62  ILE B HG21 1 
ATOM   2796 H HG22 . ILE B 1 62  ? 0.488   4.553   -15.932 1.00 67.95  ? 62  ILE B HG22 1 
ATOM   2797 H HG23 . ILE B 1 62  ? -0.021  3.318   -16.792 1.00 67.95  ? 62  ILE B HG23 1 
ATOM   2798 H HD11 . ILE B 1 62  ? 0.466   -0.232  -15.778 1.00 102.53 ? 62  ILE B HD11 1 
ATOM   2799 H HD12 . ILE B 1 62  ? 0.630   0.638   -14.459 1.00 102.53 ? 62  ILE B HD12 1 
ATOM   2800 H HD13 . ILE B 1 62  ? -0.357  1.116   -15.607 1.00 102.53 ? 62  ILE B HD13 1 
ATOM   2801 N N    . ILE B 1 63  ? 3.802   5.176   -15.108 1.00 70.79  ? 63  ILE B N    1 
ATOM   2802 C CA   . ILE B 1 63  ? 4.012   6.469   -14.484 1.00 68.78  ? 63  ILE B CA   1 
ATOM   2803 C C    . ILE B 1 63  ? 5.490   6.794   -14.493 1.00 68.45  ? 63  ILE B C    1 
ATOM   2804 O O    . ILE B 1 63  ? 6.307   5.884   -14.386 1.00 72.48  ? 63  ILE B O    1 
ATOM   2805 C CB   . ILE B 1 63  ? 3.479   6.369   -13.053 1.00 69.16  ? 63  ILE B CB   1 
ATOM   2806 C CG1  . ILE B 1 63  ? 1.952   6.243   -13.098 1.00 73.39  ? 63  ILE B CG1  1 
ATOM   2807 C CG2  . ILE B 1 63  ? 3.794   7.522   -12.240 1.00 64.87  ? 63  ILE B CG2  1 
ATOM   2808 C CD1  . ILE B 1 63  ? 1.282   7.255   -13.975 1.00 67.46  ? 63  ILE B CD1  1 
ATOM   2809 H H    . ILE B 1 63  ? 4.253   4.546   -14.736 1.00 85.04  ? 63  ILE B H    1 
ATOM   2810 H HA   . ILE B 1 63  ? 3.577   7.186   -14.972 1.00 82.63  ? 63  ILE B HA   1 
ATOM   2811 H HB   . ILE B 1 63  ? 3.905   5.593   -12.658 1.00 83.08  ? 63  ILE B HB   1 
ATOM   2812 H HG12 . ILE B 1 63  ? 1.722   5.363   -13.435 1.00 88.16  ? 63  ILE B HG12 1 
ATOM   2813 H HG13 . ILE B 1 63  ? 1.604   6.355   -12.199 1.00 88.16  ? 63  ILE B HG13 1 
ATOM   2814 H HG21 . ILE B 1 63  ? 3.293   7.471   -11.411 1.00 77.94  ? 63  ILE B HG21 1 
ATOM   2815 H HG22 . ILE B 1 63  ? 4.746   7.524   -12.051 1.00 77.94  ? 63  ILE B HG22 1 
ATOM   2816 H HG23 . ILE B 1 63  ? 3.552   8.326   -12.725 1.00 77.94  ? 63  ILE B HG23 1 
ATOM   2817 H HD11 . ILE B 1 63  ? 0.360   7.358   -13.692 1.00 81.04  ? 63  ILE B HD11 1 
ATOM   2818 H HD12 . ILE B 1 63  ? 1.749   8.101   -13.893 1.00 81.04  ? 63  ILE B HD12 1 
ATOM   2819 H HD13 . ILE B 1 63  ? 1.314   6.947   -14.894 1.00 81.04  ? 63  ILE B HD13 1 
ATOM   2820 N N    . SER B 1 64  ? 5.823   8.085   -14.563 1.00 65.23  ? 64  SER B N    1 
ATOM   2821 C CA   . SER B 1 64  ? 7.194   8.591   -14.426 1.00 70.20  ? 64  SER B CA   1 
ATOM   2822 C C    . SER B 1 64  ? 7.195   9.684   -13.370 1.00 60.94  ? 64  SER B C    1 
ATOM   2823 O O    . SER B 1 64  ? 6.173   10.281  -13.105 1.00 63.17  ? 64  SER B O    1 
ATOM   2824 C CB   . SER B 1 64  ? 7.748   9.155   -15.761 1.00 61.56  ? 64  SER B CB   1 
ATOM   2825 O OG   . SER B 1 64  ? 8.667   10.209  -15.489 1.00 74.77  ? 64  SER B OG   1 
ATOM   2826 H H    . SER B 1 64  ? 5.250   8.713   -14.694 1.00 78.37  ? 64  SER B H    1 
ATOM   2827 H HA   . SER B 1 64  ? 7.780   7.870   -14.149 1.00 84.34  ? 64  SER B HA   1 
ATOM   2828 H HB2  . SER B 1 64  ? 8.204   8.448   -16.243 1.00 73.96  ? 64  SER B HB2  1 
ATOM   2829 H HB3  . SER B 1 64  ? 7.013   9.500   -16.293 1.00 73.96  ? 64  SER B HB3  1 
ATOM   2830 H HG   . SER B 1 64  ? 9.081   10.417  -16.190 1.00 89.81  ? 64  SER B HG   1 
ATOM   2831 N N    . SER B 1 65  ? 8.334   9.976   -12.783 1.00 53.43  ? 65  SER B N    1 
ATOM   2832 C CA   . SER B 1 65  ? 8.453   11.079  -11.841 1.00 56.90  ? 65  SER B CA   1 
ATOM   2833 C C    . SER B 1 65  ? 9.638   11.954  -12.165 1.00 61.91  ? 65  SER B C    1 
ATOM   2834 O O    . SER B 1 65  ? 10.628  11.514  -12.760 1.00 58.92  ? 65  SER B O    1 
ATOM   2835 C CB   . SER B 1 65  ? 8.572   10.572  -10.396 1.00 57.56  ? 65  SER B CB   1 
ATOM   2836 O OG   . SER B 1 65  ? 9.651   9.682   -10.201 1.00 68.27  ? 65  SER B OG   1 
ATOM   2837 H H    . SER B 1 65  ? 9.068   9.547   -12.914 1.00 64.21  ? 65  SER B H    1 
ATOM   2838 H HA   . SER B 1 65  ? 7.659   11.631  -11.918 1.00 68.37  ? 65  SER B HA   1 
ATOM   2839 H HB2  . SER B 1 65  ? 8.698   11.337  -9.813  1.00 69.16  ? 65  SER B HB2  1 
ATOM   2840 H HB3  . SER B 1 65  ? 7.750   10.110  -10.165 1.00 69.16  ? 65  SER B HB3  1 
ATOM   2841 H HG   . SER B 1 65  ? 9.636   9.081   -10.787 1.00 82.02  ? 65  SER B HG   1 
ATOM   2842 N N    . TYR B 1 66  ? 9.530   13.215  -11.744 1.00 59.18  ? 66  TYR B N    1 
ATOM   2843 C CA   . TYR B 1 66  ? 10.610  14.178  -11.961 1.00 57.44  ? 66  TYR B CA   1 
ATOM   2844 C C    . TYR B 1 66  ? 10.493  15.358  -10.986 1.00 61.47  ? 66  TYR B C    1 
ATOM   2845 O O    . TYR B 1 66  ? 9.508   15.483  -10.251 1.00 50.89  ? 66  TYR B O    1 
ATOM   2846 C CB   . TYR B 1 66  ? 10.579  14.713  -13.396 1.00 55.23  ? 66  TYR B CB   1 
ATOM   2847 C CG   . TYR B 1 66  ? 9.351   15.561  -13.696 1.00 63.05  ? 66  TYR B CG   1 
ATOM   2848 C CD1  . TYR B 1 66  ? 8.122   14.975  -14.135 1.00 61.32  ? 66  TYR B CD1  1 
ATOM   2849 C CD2  . TYR B 1 66  ? 9.391   16.956  -13.526 1.00 59.86  ? 66  TYR B CD2  1 
ATOM   2850 C CE1  . TYR B 1 66  ? 6.991   15.776  -14.390 1.00 59.33  ? 66  TYR B CE1  1 
ATOM   2851 C CE2  . TYR B 1 66  ? 8.247   17.753  -13.783 1.00 58.82  ? 66  TYR B CE2  1 
ATOM   2852 C CZ   . TYR B 1 66  ? 7.072   17.165  -14.201 1.00 56.33  ? 66  TYR B CZ   1 
ATOM   2853 O OH   . TYR B 1 66  ? 5.967   17.954  -14.461 1.00 59.85  ? 66  TYR B OH   1 
ATOM   2854 H H    . TYR B 1 66  ? 8.845   13.535  -11.333 1.00 71.11  ? 66  TYR B H    1 
ATOM   2855 H HA   . TYR B 1 66  ? 11.447  13.722  -11.781 1.00 69.02  ? 66  TYR B HA   1 
ATOM   2856 H HB2  . TYR B 1 66  ? 11.365  15.263  -13.542 1.00 66.36  ? 66  TYR B HB2  1 
ATOM   2857 H HB3  . TYR B 1 66  ? 10.581  13.963  -14.010 1.00 66.36  ? 66  TYR B HB3  1 
ATOM   2858 H HD1  . TYR B 1 66  ? 8.069   14.054  -14.253 1.00 73.67  ? 66  TYR B HD1  1 
ATOM   2859 H HD2  . TYR B 1 66  ? 10.178  17.362  -13.241 1.00 71.93  ? 66  TYR B HD2  1 
ATOM   2860 H HE1  . TYR B 1 66  ? 6.197   15.388  -14.681 1.00 71.29  ? 66  TYR B HE1  1 
ATOM   2861 H HE2  . TYR B 1 66  ? 8.290   18.675  -13.669 1.00 70.67  ? 66  TYR B HE2  1 
ATOM   2862 H HH   . TYR B 1 66  ? 5.440   17.549  -14.974 1.00 71.92  ? 66  TYR B HH   1 
ATOM   2863 N N    . TRP B 1 67  ? 11.555  16.172  -10.912 1.00 51.13  ? 67  TRP B N    1 
ATOM   2864 C CA   . TRP B 1 67  ? 11.591  17.373  -10.080 1.00 57.48  ? 67  TRP B CA   1 
ATOM   2865 C C    . TRP B 1 67  ? 11.488  18.631  -10.938 1.00 61.95  ? 67  TRP B C    1 
ATOM   2866 O O    . TRP B 1 67  ? 12.198  18.765  -11.948 1.00 58.34  ? 67  TRP B O    1 
ATOM   2867 C CB   . TRP B 1 67  ? 12.865  17.371  -9.226  1.00 61.26  ? 67  TRP B CB   1 
ATOM   2868 C CG   . TRP B 1 67  ? 12.884  16.200  -8.256  1.00 57.20  ? 67  TRP B CG   1 
ATOM   2869 C CD1  . TRP B 1 67  ? 13.400  14.952  -8.480  1.00 61.14  ? 67  TRP B CD1  1 
ATOM   2870 C CD2  . TRP B 1 67  ? 12.398  16.186  -6.904  1.00 55.63  ? 67  TRP B CD2  1 
ATOM   2871 N NE1  . TRP B 1 67  ? 13.214  14.150  -7.361  1.00 61.53  ? 67  TRP B NE1  1 
ATOM   2872 C CE2  . TRP B 1 67  ? 12.598  14.895  -6.390  1.00 59.49  ? 67  TRP B CE2  1 
ATOM   2873 C CE3  . TRP B 1 67  ? 11.783  17.129  -6.095  1.00 64.13  ? 67  TRP B CE3  1 
ATOM   2874 C CZ2  . TRP B 1 67  ? 12.203  14.540  -5.106  1.00 57.09  ? 67  TRP B CZ2  1 
ATOM   2875 C CZ3  . TRP B 1 67  ? 11.430  16.776  -4.796  1.00 55.62  ? 67  TRP B CZ3  1 
ATOM   2876 C CH2  . TRP B 1 67  ? 11.640  15.507  -4.324  1.00 52.13  ? 67  TRP B CH2  1 
ATOM   2877 H H    . TRP B 1 67  ? 12.284  16.042  -11.350 1.00 61.44  ? 67  TRP B H    1 
ATOM   2878 H HA   . TRP B 1 67  ? 10.821  17.391  -9.490  1.00 69.07  ? 67  TRP B HA   1 
ATOM   2879 H HB2  . TRP B 1 67  ? 13.639  17.301  -9.806  1.00 73.60  ? 67  TRP B HB2  1 
ATOM   2880 H HB3  . TRP B 1 67  ? 12.908  18.194  -8.714  1.00 73.60  ? 67  TRP B HB3  1 
ATOM   2881 H HD1  . TRP B 1 67  ? 13.814  14.680  -9.267  1.00 73.46  ? 67  TRP B HD1  1 
ATOM   2882 H HE1  . TRP B 1 67  ? 13.447  13.325  -7.290  1.00 73.93  ? 67  TRP B HE1  1 
ATOM   2883 H HE3  . TRP B 1 67  ? 11.609  17.984  -6.415  1.00 77.05  ? 67  TRP B HE3  1 
ATOM   2884 H HZ2  . TRP B 1 67  ? 12.317  13.673  -4.791  1.00 68.61  ? 67  TRP B HZ2  1 
ATOM   2885 H HZ3  . TRP B 1 67  ? 11.044  17.412  -4.239  1.00 66.83  ? 67  TRP B HZ3  1 
ATOM   2886 H HH2  . TRP B 1 67  ? 11.394  15.300  -3.451  1.00 62.65  ? 67  TRP B HH2  1 
ATOM   2887 N N    . GLY B 1 68  ? 10.628  19.543  -10.521 1.00 61.39  ? 68  GLY B N    1 
ATOM   2888 C CA   . GLY B 1 68  ? 10.310  20.737  -11.284 1.00 70.71  ? 68  GLY B CA   1 
ATOM   2889 C C    . GLY B 1 68  ? 10.679  21.977  -10.498 1.00 87.41  ? 68  GLY B C    1 
ATOM   2890 O O    . GLY B 1 68  ? 10.302  22.096  -9.328  1.00 69.26  ? 68  GLY B O    1 
ATOM   2891 H H    . GLY B 1 68  ? 10.201  19.493  -9.776  1.00 73.76  ? 68  GLY B H    1 
ATOM   2892 H HA2  . GLY B 1 68  ? 10.804  20.735  -12.119 1.00 84.94  ? 68  GLY B HA2  1 
ATOM   2893 H HA3  . GLY B 1 68  ? 9.360   20.759  -11.479 1.00 84.94  ? 68  GLY B HA3  1 
ATOM   2894 N N    . ASP B 1 69  ? 11.411  22.898  -11.135 1.00 81.13  ? 69  ASP B N    1 
ATOM   2895 C CA   . ASP B 1 69  ? 11.953  24.103  -10.506 1.00 74.06  ? 69  ASP B CA   1 
ATOM   2896 C C    . ASP B 1 69  ? 12.481  23.917  -9.106  1.00 77.63  ? 69  ASP B C    1 
ATOM   2897 O O    . ASP B 1 69  ? 13.446  24.613  -8.714  1.00 79.30  ? 69  ASP B O    1 
ATOM   2898 C CB   . ASP B 1 69  ? 10.920  25.240  -10.469 1.00 87.57  ? 69  ASP B CB   1 
ATOM   2899 C CG   . ASP B 1 69  ? 10.839  26.010  -11.781 1.00 103.11 ? 69  ASP B CG   1 
ATOM   2900 O OD1  . ASP B 1 69  ? 11.914  26.458  -12.263 1.00 91.21  ? 69  ASP B OD1  1 
ATOM   2901 O OD2  . ASP B 1 69  ? 9.722   26.165  -12.325 1.00 130.63 ? 69  ASP B OD2  1 
ATOM   2902 H H    . ASP B 1 69  ? 11.616  22.844  -11.969 1.00 97.45  ? 69  ASP B H    1 
ATOM   2903 H HA   . ASP B 1 69  ? 12.706  24.347  -11.067 1.00 88.97  ? 69  ASP B HA   1 
ATOM   2904 H HB2  . ASP B 1 69  ? 10.044  24.865  -10.287 1.00 105.18 ? 69  ASP B HB2  1 
ATOM   2905 H HB3  . ASP B 1 69  ? 11.165  25.866  -9.769  1.00 105.18 ? 69  ASP B HB3  1 
ATOM   2906 N N    . ARG B 1 76  ? 9.978   20.524  -5.697  1.00 56.15  ? 76  ARG B N    1 
ATOM   2907 C CA   . ARG B 1 76  ? 8.811   19.638  -5.686  1.00 62.20  ? 76  ARG B CA   1 
ATOM   2908 C C    . ARG B 1 76  ? 8.750   18.536  -6.733  1.00 58.91  ? 76  ARG B C    1 
ATOM   2909 O O    . ARG B 1 76  ? 9.006   18.745  -7.924  1.00 60.11  ? 76  ARG B O    1 
ATOM   2910 C CB   . ARG B 1 76  ? 7.541   20.504  -5.795  1.00 61.83  ? 76  ARG B CB   1 
ATOM   2911 C CG   . ARG B 1 76  ? 6.257   19.850  -6.188  1.00 59.82  ? 76  ARG B CG   1 
ATOM   2912 C CD   . ARG B 1 76  ? 5.250   20.992  -6.357  1.00 58.51  ? 76  ARG B CD   1 
ATOM   2913 N NE   . ARG B 1 76  ? 4.867   21.662  -5.113  1.00 56.02  ? 76  ARG B NE   1 
ATOM   2914 C CZ   . ARG B 1 76  ? 4.243   22.826  -5.074  1.00 58.62  ? 76  ARG B CZ   1 
ATOM   2915 N NH1  . ARG B 1 76  ? 4.003   23.515  -6.174  1.00 64.88  ? 76  ARG B NH1  1 
ATOM   2916 N NH2  . ARG B 1 76  ? 3.833   23.310  -3.905  1.00 60.62  ? 76  ARG B NH2  1 
ATOM   2917 H HA   . ARG B 1 76  ? 8.865   19.148  -4.850  1.00 74.74  ? 76  ARG B HA   1 
ATOM   2918 H HB2  . ARG B 1 76  ? 7.389   20.909  -4.927  1.00 74.29  ? 76  ARG B HB2  1 
ATOM   2919 H HB3  . ARG B 1 76  ? 7.713   21.192  -6.457  1.00 74.29  ? 76  ARG B HB3  1 
ATOM   2920 H HG2  . ARG B 1 76  ? 6.357   19.373  -7.026  1.00 71.88  ? 76  ARG B HG2  1 
ATOM   2921 H HG3  . ARG B 1 76  ? 5.954   19.243  -5.495  1.00 71.88  ? 76  ARG B HG3  1 
ATOM   2922 H HD2  . ARG B 1 76  ? 5.639   21.663  -6.941  1.00 70.31  ? 76  ARG B HD2  1 
ATOM   2923 H HD3  . ARG B 1 76  ? 4.442   20.634  -6.756  1.00 70.31  ? 76  ARG B HD3  1 
ATOM   2924 H HE   . ARG B 1 76  ? 5.059   21.278  -4.368  1.00 67.32  ? 76  ARG B HE   1 
ATOM   2925 H HH11 . ARG B 1 76  ? 4.255   23.209  -6.937  1.00 77.94  ? 76  ARG B HH11 1 
ATOM   2926 H HH12 . ARG B 1 76  ? 3.596   24.271  -6.128  1.00 77.94  ? 76  ARG B HH12 1 
ATOM   2927 H HH21 . ARG B 1 76  ? 3.975   22.866  -3.182  1.00 72.84  ? 76  ARG B HH21 1 
ATOM   2928 H HH22 . ARG B 1 76  ? 3.426   24.067  -3.871  1.00 72.84  ? 76  ARG B HH22 1 
ATOM   2929 N N    . LYS B 1 77  ? 8.405   17.347  -6.236  1.00 57.29  ? 77  LYS B N    1 
ATOM   2930 C CA   . LYS B 1 77  ? 8.320   16.142  -7.041  1.00 54.34  ? 77  LYS B CA   1 
ATOM   2931 C C    . LYS B 1 77  ? 6.967   16.038  -7.740  1.00 60.32  ? 77  LYS B C    1 
ATOM   2932 O O    . LYS B 1 77  ? 5.913   16.125  -7.088  1.00 54.25  ? 77  LYS B O    1 
ATOM   2933 C CB   . LYS B 1 77  ? 8.477   14.907  -6.169  1.00 51.21  ? 77  LYS B CB   1 
ATOM   2934 C CG   . LYS B 1 77  ? 8.778   13.616  -6.946  1.00 51.94  ? 77  LYS B CG   1 
ATOM   2935 C CD   . LYS B 1 77  ? 9.005   12.426  -5.978  1.00 55.78  ? 77  LYS B CD   1 
ATOM   2936 C CE   . LYS B 1 77  ? 9.279   11.119  -6.743  1.00 64.36  ? 77  LYS B CE   1 
ATOM   2937 N NZ   . LYS B 1 77  ? 9.307   9.882   -5.915  1.00 69.29  ? 77  LYS B NZ   1 
ATOM   2938 H H    . LYS B 1 77  ? 8.211   17.215  -5.409  1.00 68.84  ? 77  LYS B H    1 
ATOM   2939 H HA   . LYS B 1 77  ? 9.024   16.184  -7.708  1.00 65.30  ? 77  LYS B HA   1 
ATOM   2940 H HB2  . LYS B 1 77  ? 9.211   15.056  -5.552  1.00 61.54  ? 77  LYS B HB2  1 
ATOM   2941 H HB3  . LYS B 1 77  ? 7.653   14.768  -5.678  1.00 61.54  ? 77  LYS B HB3  1 
ATOM   2942 H HG2  . LYS B 1 77  ? 8.028   13.404  -7.523  1.00 62.42  ? 77  LYS B HG2  1 
ATOM   2943 H HG3  . LYS B 1 77  ? 9.581   13.738  -7.476  1.00 62.42  ? 77  LYS B HG3  1 
ATOM   2944 H HD2  . LYS B 1 77  ? 9.769   12.614  -5.411  1.00 67.02  ? 77  LYS B HD2  1 
ATOM   2945 H HD3  . LYS B 1 77  ? 8.212   12.300  -5.433  1.00 67.02  ? 77  LYS B HD3  1 
ATOM   2946 H HE2  . LYS B 1 77  ? 8.584   11.003  -7.409  1.00 77.33  ? 77  LYS B HE2  1 
ATOM   2947 H HE3  . LYS B 1 77  ? 10.144  11.195  -7.176  1.00 77.33  ? 77  LYS B HE3  1 
ATOM   2948 H HZ1  . LYS B 1 77  ? 9.792   9.255   -6.320  1.00 83.24  ? 77  LYS B HZ1  1 
ATOM   2949 H HZ2  . LYS B 1 77  ? 9.667   10.056  -5.119  1.00 83.24  ? 77  LYS B HZ2  1 
ATOM   2950 H HZ3  . LYS B 1 77  ? 8.480   9.576   -5.796  1.00 83.24  ? 77  LYS B HZ3  1 
ATOM   2951 N N    . TYR B 1 78  ? 6.991   15.810  -9.054  1.00 56.30  ? 78  TYR B N    1 
ATOM   2952 C CA   . TYR B 1 78  ? 5.794   15.654  -9.868  1.00 57.95  ? 78  TYR B CA   1 
ATOM   2953 C C    . TYR B 1 78  ? 5.780   14.220  -10.400 1.00 59.02  ? 78  TYR B C    1 
ATOM   2954 O O    . TYR B 1 78  ? 6.840   13.605  -10.593 1.00 47.56  ? 78  TYR B O    1 
ATOM   2955 C CB   . TYR B 1 78  ? 5.758   16.656  -11.046 1.00 58.45  ? 78  TYR B CB   1 
ATOM   2956 C CG   . TYR B 1 78  ? 5.626   18.139  -10.662 1.00 62.19  ? 78  TYR B CG   1 
ATOM   2957 C CD1  . TYR B 1 78  ? 6.704   18.893  -10.226 1.00 59.50  ? 78  TYR B CD1  1 
ATOM   2958 C CD2  . TYR B 1 78  ? 4.401   18.773  -10.794 1.00 61.81  ? 78  TYR B CD2  1 
ATOM   2959 C CE1  . TYR B 1 78  ? 6.558   20.211  -9.907  1.00 57.96  ? 78  TYR B CE1  1 
ATOM   2960 C CE2  . TYR B 1 78  ? 4.248   20.088  -10.477 1.00 54.33  ? 78  TYR B CE2  1 
ATOM   2961 C CZ   . TYR B 1 78  ? 5.342   20.807  -10.033 1.00 54.56  ? 78  TYR B CZ   1 
ATOM   2962 O OH   . TYR B 1 78  ? 5.134   22.109  -9.729  1.00 61.44  ? 78  TYR B OH   1 
ATOM   2963 H H    . TYR B 1 78  ? 7.717   15.739  -9.509  1.00 67.65  ? 78  TYR B H    1 
ATOM   2964 H HA   . TYR B 1 78  ? 4.998   15.822  -9.339  1.00 69.63  ? 78  TYR B HA   1 
ATOM   2965 H HB2  . TYR B 1 78  ? 6.582   16.562  -11.549 1.00 70.23  ? 78  TYR B HB2  1 
ATOM   2966 H HB3  . TYR B 1 78  ? 4.999   16.437  -11.608 1.00 70.23  ? 78  TYR B HB3  1 
ATOM   2967 H HD1  . TYR B 1 78  ? 7.541   18.495  -10.149 1.00 71.49  ? 78  TYR B HD1  1 
ATOM   2968 H HD2  . TYR B 1 78  ? 3.669   18.291  -11.104 1.00 74.27  ? 78  TYR B HD2  1 
ATOM   2969 H HE1  . TYR B 1 78  ? 7.287   20.701  -9.604  1.00 69.64  ? 78  TYR B HE1  1 
ATOM   2970 H HE2  . TYR B 1 78  ? 3.417   20.498  -10.559 1.00 65.29  ? 78  TYR B HE2  1 
ATOM   2971 H HH   . TYR B 1 78  ? 4.318   22.294  -9.797  1.00 73.82  ? 78  TYR B HH   1 
ATOM   2972 N N    . TYR B 1 79  ? 4.575   13.687  -10.596 1.00 44.11  ? 79  TYR B N    1 
ATOM   2973 C CA   . TYR B 1 79  ? 4.321   12.393  -11.216 1.00 49.11  ? 79  TYR B CA   1 
ATOM   2974 C C    . TYR B 1 79  ? 3.567   12.621  -12.526 1.00 49.73  ? 79  TYR B C    1 
ATOM   2975 O O    . TYR B 1 79  ? 2.815   13.585  -12.651 1.00 44.46  ? 79  TYR B O    1 
ATOM   2976 C CB   . TYR B 1 79  ? 3.570   11.448  -10.269 1.00 50.69  ? 79  TYR B CB   1 
ATOM   2977 C CG   . TYR B 1 79  ? 4.362   10.921  -9.040  1.00 44.94  ? 79  TYR B CG   1 
ATOM   2978 C CD1  . TYR B 1 79  ? 4.435   11.637  -7.842  1.00 45.77  ? 79  TYR B CD1  1 
ATOM   2979 C CD2  . TYR B 1 79  ? 5.020   9.698   -9.086  1.00 50.98  ? 79  TYR B CD2  1 
ATOM   2980 C CE1  . TYR B 1 79  ? 5.152   11.157  -6.739  1.00 46.49  ? 79  TYR B CE1  1 
ATOM   2981 C CE2  . TYR B 1 79  ? 5.678   9.215   -7.990  1.00 55.36  ? 79  TYR B CE2  1 
ATOM   2982 C CZ   . TYR B 1 79  ? 5.744   9.953   -6.815  1.00 49.86  ? 79  TYR B CZ   1 
ATOM   2983 O OH   . TYR B 1 79  ? 6.442   9.406   -5.735  1.00 50.66  ? 79  TYR B OH   1 
ATOM   2984 H H    . TYR B 1 79  ? 3.848   14.083  -10.365 1.00 53.02  ? 79  TYR B H    1 
ATOM   2985 H HA   . TYR B 1 79  ? 5.153   11.939  -11.426 1.00 59.02  ? 79  TYR B HA   1 
ATOM   2986 H HB2  . TYR B 1 79  ? 2.795   11.919  -9.927  1.00 60.92  ? 79  TYR B HB2  1 
ATOM   2987 H HB3  . TYR B 1 79  ? 3.289   10.672  -10.779 1.00 60.92  ? 79  TYR B HB3  1 
ATOM   2988 H HD1  . TYR B 1 79  ? 3.996   12.454  -7.776  1.00 55.02  ? 79  TYR B HD1  1 
ATOM   2989 H HD2  . TYR B 1 79  ? 5.013   9.202   -9.873  1.00 61.27  ? 79  TYR B HD2  1 
ATOM   2990 H HE1  . TYR B 1 79  ? 5.218   11.666  -5.964  1.00 55.88  ? 79  TYR B HE1  1 
ATOM   2991 H HE2  . TYR B 1 79  ? 6.088   8.381   -8.032  1.00 66.52  ? 79  TYR B HE2  1 
ATOM   2992 H HH   . TYR B 1 79  ? 6.586   8.590   -5.870  1.00 60.89  ? 79  TYR B HH   1 
ATOM   2993 N N    . ARG B 1 80  ? 3.793   11.754  -13.514 1.00 48.72  ? 80  ARG B N    1 
ATOM   2994 C CA   . ARG B 1 80  ? 3.361   11.951  -14.894 1.00 50.44  ? 80  ARG B CA   1 
ATOM   2995 C C    . ARG B 1 80  ? 2.863   10.628  -15.441 1.00 62.20  ? 80  ARG B C    1 
ATOM   2996 O O    . ARG B 1 80  ? 3.379   9.572   -15.080 1.00 63.15  ? 80  ARG B O    1 
ATOM   2997 C CB   . ARG B 1 80  ? 4.510   12.513  -15.778 1.00 70.20  ? 80  ARG B CB   1 
ATOM   2998 C CG   . ARG B 1 80  ? 4.393   12.247  -17.278 1.00 80.36  ? 80  ARG B CG   1 
ATOM   2999 C CD   . ARG B 1 80  ? 5.571   12.895  -18.065 1.00 76.02  ? 80  ARG B CD   1 
ATOM   3000 N NE   . ARG B 1 80  ? 5.615   12.371  -19.430 1.00 94.81  ? 80  ARG B NE   1 
ATOM   3001 C CZ   . ARG B 1 80  ? 6.136   11.196  -19.769 1.00 80.15  ? 80  ARG B CZ   1 
ATOM   3002 N NH1  . ARG B 1 80  ? 6.758   10.427  -18.893 1.00 88.87  ? 80  ARG B NH1  1 
ATOM   3003 N NH2  . ARG B 1 80  ? 6.002   10.758  -21.017 1.00 90.11  ? 80  ARG B NH2  1 
ATOM   3004 H H    . ARG B 1 80  ? 4.213   11.012  -13.403 1.00 58.56  ? 80  ARG B H    1 
ATOM   3005 H HA   . ARG B 1 80  ? 2.631   12.588  -14.927 1.00 60.63  ? 80  ARG B HA   1 
ATOM   3006 H HB2  . ARG B 1 80  ? 4.540   13.476  -15.660 1.00 84.33  ? 80  ARG B HB2  1 
ATOM   3007 H HB3  . ARG B 1 80  ? 5.343   12.117  -15.481 1.00 84.33  ? 80  ARG B HB3  1 
ATOM   3008 H HG2  . ARG B 1 80  ? 4.411   11.290  -17.437 1.00 96.52  ? 80  ARG B HG2  1 
ATOM   3009 H HG3  . ARG B 1 80  ? 3.562   12.623  -17.608 1.00 96.52  ? 80  ARG B HG3  1 
ATOM   3010 H HD2  . ARG B 1 80  ? 5.446   13.856  -18.105 1.00 91.32  ? 80  ARG B HD2  1 
ATOM   3011 H HD3  . ARG B 1 80  ? 6.410   12.688  -17.625 1.00 91.32  ? 80  ARG B HD3  1 
ATOM   3012 H HE   . ARG B 1 80  ? 5.282   12.857  -20.057 1.00 113.86 ? 80  ARG B HE   1 
ATOM   3013 H HH11 . ARG B 1 80  ? 6.836   10.682  -18.076 1.00 106.73 ? 80  ARG B HH11 1 
ATOM   3014 H HH12 . ARG B 1 80  ? 7.086   9.671   -19.141 1.00 106.73 ? 80  ARG B HH12 1 
ATOM   3015 H HH21 . ARG B 1 80  ? 5.582   11.234  -21.597 1.00 108.22 ? 80  ARG B HH21 1 
ATOM   3016 H HH22 . ARG B 1 80  ? 6.336   9.999   -21.245 1.00 108.22 ? 80  ARG B HH22 1 
ATOM   3017 N N    . LEU B 1 81  ? 1.815   10.681  -16.255 1.00 64.28  ? 81  LEU B N    1 
ATOM   3018 C CA   . LEU B 1 81  ? 1.403   9.495   -16.979 1.00 79.35  ? 81  LEU B CA   1 
ATOM   3019 C C    . LEU B 1 81  ? 2.312   9.374   -18.180 1.00 80.35  ? 81  LEU B C    1 
ATOM   3020 O O    . LEU B 1 81  ? 2.446   10.321  -18.963 1.00 73.68  ? 81  LEU B O    1 
ATOM   3021 C CB   . LEU B 1 81  ? -0.060  9.576   -17.416 1.00 68.30  ? 81  LEU B CB   1 
ATOM   3022 C CG   . LEU B 1 81  ? -0.531  8.393   -18.245 1.00 74.56  ? 81  LEU B CG   1 
ATOM   3023 C CD1  . LEU B 1 81  ? -0.297  7.104   -17.464 1.00 65.30  ? 81  LEU B CD1  1 
ATOM   3024 C CD2  . LEU B 1 81  ? -1.997  8.572   -18.598 1.00 83.50  ? 81  LEU B CD2  1 
ATOM   3025 H H    . LEU B 1 81  ? 1.337   11.381  -16.400 1.00 77.22  ? 81  LEU B H    1 
ATOM   3026 H HA   . LEU B 1 81  ? 1.470   8.709   -16.415 1.00 95.31  ? 81  LEU B HA   1 
ATOM   3027 H HB2  . LEU B 1 81  ? -0.617  9.620   -16.623 1.00 82.06  ? 81  LEU B HB2  1 
ATOM   3028 H HB3  . LEU B 1 81  ? -0.179  10.376  -17.951 1.00 82.06  ? 81  LEU B HB3  1 
ATOM   3029 H HG   . LEU B 1 81  ? -0.032  8.333   -19.075 1.00 89.56  ? 81  LEU B HG   1 
ATOM   3030 H HD11 . LEU B 1 81  ? -0.835  6.397   -17.853 1.00 78.46  ? 81  LEU B HD11 1 
ATOM   3031 H HD12 . LEU B 1 81  ? 0.643   6.870   -17.515 1.00 78.46  ? 81  LEU B HD12 1 
ATOM   3032 H HD13 . LEU B 1 81  ? -0.553  7.244   -16.539 1.00 78.46  ? 81  LEU B HD13 1 
ATOM   3033 H HD21 . LEU B 1 81  ? -2.299  7.796   -19.096 1.00 100.29 ? 81  LEU B HD21 1 
ATOM   3034 H HD22 . LEU B 1 81  ? -2.510  8.661   -17.780 1.00 100.29 ? 81  LEU B HD22 1 
ATOM   3035 H HD23 . LEU B 1 81  ? -2.096  9.371   -19.140 1.00 100.29 ? 81  LEU B HD23 1 
ATOM   3036 N N    . THR B 1 82  ? 2.943   8.220   -18.324 1.00 78.67  ? 82  THR B N    1 
ATOM   3037 C CA   . THR B 1 82  ? 3.869   8.064   -19.426 1.00 82.45  ? 82  THR B CA   1 
ATOM   3038 C C    . THR B 1 82  ? 3.059   7.963   -20.709 1.00 82.74  ? 82  THR B C    1 
ATOM   3039 O O    . THR B 1 82  ? 1.867   7.647   -20.691 1.00 75.72  ? 82  THR B O    1 
ATOM   3040 C CB   . THR B 1 82  ? 4.744   6.824   -19.222 1.00 82.96  ? 82  THR B CB   1 
ATOM   3041 O OG1  . THR B 1 82  ? 3.942   5.642   -19.194 1.00 81.30  ? 82  THR B OG1  1 
ATOM   3042 C CG2  . THR B 1 82  ? 5.444   6.936   -17.874 1.00 85.63  ? 82  THR B CG2  1 
ATOM   3043 H H    . THR B 1 82  ? 2.854   7.534   -17.812 1.00 94.49  ? 82  THR B H    1 
ATOM   3044 H HA   . THR B 1 82  ? 4.474   8.820   -19.490 1.00 99.03  ? 82  THR B HA   1 
ATOM   3045 H HB   . THR B 1 82  ? 5.387   6.761   -19.946 1.00 99.64  ? 82  THR B HB   1 
ATOM   3046 H HG1  . THR B 1 82  ? 3.431   5.657   -18.527 1.00 97.65  ? 82  THR B HG1  1 
ATOM   3047 H HG21 . THR B 1 82  ? 6.069   6.204   -17.763 1.00 102.85 ? 82  THR B HG21 1 
ATOM   3048 H HG22 . THR B 1 82  ? 5.928   7.775   -17.821 1.00 102.85 ? 82  THR B HG22 1 
ATOM   3049 H HG23 . THR B 1 82  ? 4.790   6.904   -17.158 1.00 102.85 ? 82  THR B HG23 1 
ATOM   3050 N N    . GLU B 1 83  ? 3.717   8.238   -21.838 1.00 96.54  ? 83  GLU B N    1 
ATOM   3051 C CA   . GLU B 1 83  ? 3.038   8.075   -23.117 1.00 102.50 ? 83  GLU B CA   1 
ATOM   3052 C C    . GLU B 1 83  ? 2.590   6.627   -23.290 1.00 96.11  ? 83  GLU B C    1 
ATOM   3053 O O    . GLU B 1 83  ? 1.456   6.370   -23.712 1.00 101.55 ? 83  GLU B O    1 
ATOM   3054 C CB   . GLU B 1 83  ? 3.953   8.539   -24.258 1.00 107.96 ? 83  GLU B CB   1 
ATOM   3055 C CG   . GLU B 1 83  ? 3.272   8.664   -25.632 1.00 113.22 ? 83  GLU B CG   1 
ATOM   3056 C CD   . GLU B 1 83  ? 4.179   9.284   -26.726 1.00 124.42 ? 83  GLU B CD   1 
ATOM   3057 O OE1  . GLU B 1 83  ? 5.298   9.765   -26.414 1.00 131.66 ? 83  GLU B OE1  1 
ATOM   3058 O OE2  . GLU B 1 83  ? 3.778   9.249   -27.914 1.00 127.14 ? 83  GLU B OE2  1 
ATOM   3059 H H    . GLU B 1 83  ? 4.531   8.512   -21.887 1.00 115.94 ? 83  GLU B H    1 
ATOM   3060 H HA   . GLU B 1 83  ? 2.246   8.634   -23.153 1.00 123.10 ? 83  GLU B HA   1 
ATOM   3061 H HB2  . GLU B 1 83  ? 4.309   9.412   -24.030 1.00 129.64 ? 83  GLU B HB2  1 
ATOM   3062 H HB3  . GLU B 1 83  ? 4.677   7.900   -24.350 1.00 129.64 ? 83  GLU B HB3  1 
ATOM   3063 H HG2  . GLU B 1 83  ? 3.010   7.780   -25.932 1.00 135.95 ? 83  GLU B HG2  1 
ATOM   3064 H HG3  . GLU B 1 83  ? 2.489   9.230   -25.542 1.00 135.95 ? 83  GLU B HG3  1 
ATOM   3065 N N    . ILE B 1 84  ? 3.434   5.665   -22.897 1.00 93.86  ? 84  ILE B N    1 
ATOM   3066 C CA   . ILE B 1 84  ? 3.017   4.254   -22.923 1.00 91.42  ? 84  ILE B CA   1 
ATOM   3067 C C    . ILE B 1 84  ? 1.958   3.974   -21.858 1.00 87.68  ? 84  ILE B C    1 
ATOM   3068 O O    . ILE B 1 84  ? 1.166   3.043   -22.014 1.00 85.68  ? 84  ILE B O    1 
ATOM   3069 C CB   . ILE B 1 84  ? 4.194   3.266   -22.757 1.00 90.28  ? 84  ILE B CB   1 
ATOM   3070 C CG1  . ILE B 1 84  ? 4.834   3.463   -21.375 1.00 94.78  ? 84  ILE B CG1  1 
ATOM   3071 C CG2  . ILE B 1 84  ? 5.108   3.352   -23.957 1.00 95.41  ? 84  ILE B CG2  1 
ATOM   3072 C CD1  . ILE B 1 84  ? 5.928   2.404   -21.027 1.00 92.82  ? 84  ILE B CD1  1 
ATOM   3073 H H    . ILE B 1 84  ? 4.237   5.797   -22.617 1.00 112.73 ? 84  ILE B H    1 
ATOM   3074 H HA   . ILE B 1 84  ? 2.645   4.113   -23.807 1.00 109.79 ? 84  ILE B HA   1 
ATOM   3075 H HB   . ILE B 1 84  ? 3.899   2.342   -22.753 1.00 108.43 ? 84  ILE B HB   1 
ATOM   3076 H HG12 . ILE B 1 84  ? 5.251   4.338   -21.348 1.00 113.83 ? 84  ILE B HG12 1 
ATOM   3077 H HG13 . ILE B 1 84  ? 4.141   3.405   -20.699 1.00 113.83 ? 84  ILE B HG13 1 
ATOM   3078 H HG21 . ILE B 1 84  ? 5.871   2.770   -23.816 1.00 114.59 ? 84  ILE B HG21 1 
ATOM   3079 H HG22 . ILE B 1 84  ? 4.620   3.071   -24.747 1.00 114.59 ? 84  ILE B HG22 1 
ATOM   3080 H HG23 . ILE B 1 84  ? 5.406   4.269   -24.062 1.00 114.59 ? 84  ILE B HG23 1 
ATOM   3081 H HD11 . ILE B 1 84  ? 6.428   2.708   -20.253 1.00 111.48 ? 84  ILE B HD11 1 
ATOM   3082 H HD12 . ILE B 1 84  ? 5.497   1.558   -20.830 1.00 111.48 ? 84  ILE B HD12 1 
ATOM   3083 H HD13 . ILE B 1 84  ? 6.523   2.303   -21.786 1.00 111.48 ? 84  ILE B HD13 1 
ATOM   3084 N N    . GLY B 1 85  ? 2.014   4.675   -20.716 1.00 94.52  ? 85  GLY B N    1 
ATOM   3085 C CA   . GLY B 1 85  ? 1.027   4.450   -19.676 1.00 85.94  ? 85  GLY B CA   1 
ATOM   3086 C C    . GLY B 1 85  ? -0.366  4.728   -20.178 1.00 95.66  ? 85  GLY B C    1 
ATOM   3087 O O    . GLY B 1 85  ? -1.275  3.921   -19.990 1.00 94.45  ? 85  GLY B O    1 
ATOM   3088 H H    . GLY B 1 85  ? 2.604   5.273   -20.531 1.00 113.51 ? 85  GLY B H    1 
ATOM   3089 H HA2  . GLY B 1 85  ? 1.072   3.528   -19.378 1.00 103.23 ? 85  GLY B HA2  1 
ATOM   3090 H HA3  . GLY B 1 85  ? 1.208   5.034   -18.923 1.00 103.23 ? 85  GLY B HA3  1 
ATOM   3091 N N    . HIS B 1 86  ? -0.544  5.864   -20.842 1.00 79.54  ? 86  HIS B N    1 
ATOM   3092 C CA   . HIS B 1 86  ? -1.852  6.189   -21.381 1.00 90.68  ? 86  HIS B CA   1 
ATOM   3093 C C    . HIS B 1 86  ? -2.380  5.014   -22.180 1.00 87.59  ? 86  HIS B C    1 
ATOM   3094 O O    . HIS B 1 86  ? -3.510  4.547   -21.967 1.00 81.10  ? 86  HIS B O    1 
ATOM   3095 C CB   . HIS B 1 86  ? -1.753  7.432   -22.264 1.00 83.10  ? 86  HIS B CB   1 
ATOM   3096 C CG   . HIS B 1 86  ? -3.078  8.067   -22.587 1.00 100.33 ? 86  HIS B CG   1 
ATOM   3097 N ND1  . HIS B 1 86  ? -3.192  9.369   -23.029 1.00 91.39  ? 86  HIS B ND1  1 
ATOM   3098 C CD2  . HIS B 1 86  ? -4.343  7.574   -22.545 1.00 98.26  ? 86  HIS B CD2  1 
ATOM   3099 C CE1  . HIS B 1 86  ? -4.465  9.648   -23.256 1.00 91.16  ? 86  HIS B CE1  1 
ATOM   3100 N NE2  . HIS B 1 86  ? -5.185  8.579   -22.964 1.00 88.87  ? 86  HIS B NE2  1 
ATOM   3101 H H    . HIS B 1 86  ? 0.066   6.451   -20.992 1.00 95.54  ? 86  HIS B H    1 
ATOM   3102 H HA   . HIS B 1 86  ? -2.467  6.385   -20.657 1.00 108.91 ? 86  HIS B HA   1 
ATOM   3103 H HB2  . HIS B 1 86  ? -1.213  8.096   -21.807 1.00 99.81  ? 86  HIS B HB2  1 
ATOM   3104 H HB3  . HIS B 1 86  ? -1.334  7.184   -23.103 1.00 99.81  ? 86  HIS B HB3  1 
ATOM   3105 H HD1  . HIS B 1 86  ? -2.536  9.915   -23.140 1.00 109.76 ? 86  HIS B HD1  1 
ATOM   3106 H HD2  . HIS B 1 86  ? -4.593  6.718   -22.283 1.00 118.01 ? 86  HIS B HD2  1 
ATOM   3107 H HE1  . HIS B 1 86  ? -4.797  10.459  -23.568 1.00 109.49 ? 86  HIS B HE1  1 
ATOM   3108 N N    . GLU B 1 87  ? -1.538  4.465   -23.057 1.00 94.47  ? 87  GLU B N    1 
ATOM   3109 C CA   . GLU B 1 87  ? -1.994  3.364   -23.901 1.00 90.98  ? 87  GLU B CA   1 
ATOM   3110 C C    . GLU B 1 87  ? -2.217  2.081   -23.090 1.00 87.60  ? 87  GLU B C    1 
ATOM   3111 O O    . GLU B 1 87  ? -3.264  1.438   -23.220 1.00 89.90  ? 87  GLU B O    1 
ATOM   3112 C CB   . GLU B 1 87  ? -1.001  3.119   -25.033 1.00 104.59 ? 87  GLU B CB   1 
ATOM   3113 C CG   . GLU B 1 87  ? -0.824  4.283   -25.977 1.00 103.23 ? 87  GLU B CG   1 
ATOM   3114 C CD   . GLU B 1 87  ? -2.070  4.619   -26.772 1.00 105.04 ? 87  GLU B CD   1 
ATOM   3115 O OE1  . GLU B 1 87  ? -3.109  3.948   -26.584 1.00 104.50 ? 87  GLU B OE1  1 
ATOM   3116 O OE2  . GLU B 1 87  ? -1.991  5.531   -27.632 1.00 118.88 ? 87  GLU B OE2  1 
ATOM   3117 H H    . GLU B 1 87  ? -0.722  4.705   -23.178 1.00 113.46 ? 87  GLU B H    1 
ATOM   3118 H HA   . GLU B 1 87  ? -2.843  3.615   -24.297 1.00 109.27 ? 87  GLU B HA   1 
ATOM   3119 H HB2  . GLU B 1 87  ? -0.134  2.923   -24.645 1.00 125.61 ? 87  GLU B HB2  1 
ATOM   3120 H HB3  . GLU B 1 87  ? -1.309  2.363   -25.555 1.00 125.61 ? 87  GLU B HB3  1 
ATOM   3121 H HG2  . GLU B 1 87  ? -0.581  5.069   -25.463 1.00 123.97 ? 87  GLU B HG2  1 
ATOM   3122 H HG3  . GLU B 1 87  ? -0.120  4.069   -26.609 1.00 123.97 ? 87  GLU B HG3  1 
ATOM   3123 N N    . ASN B 1 88  ? -1.263  1.716   -22.221 1.00 85.55  ? 88  ASN B N    1 
ATOM   3124 C CA   . ASN B 1 88  ? -1.436  0.564   -21.335 1.00 84.67  ? 88  ASN B CA   1 
ATOM   3125 C C    . ASN B 1 88  ? -2.789  0.620   -20.648 1.00 84.48  ? 88  ASN B C    1 
ATOM   3126 O O    . ASN B 1 88  ? -3.394  -0.421  -20.351 1.00 72.54  ? 88  ASN B O    1 
ATOM   3127 C CB   . ASN B 1 88  ? -0.322  0.574   -20.274 1.00 93.29  ? 88  ASN B CB   1 
ATOM   3128 C CG   . ASN B 1 88  ? 0.495   -0.711  -20.241 1.00 94.13  ? 88  ASN B CG   1 
ATOM   3129 O OD1  . ASN B 1 88  ? -0.029  -1.814  -20.044 1.00 84.86  ? 88  ASN B OD1  1 
ATOM   3130 N ND2  . ASN B 1 88  ? 1.802   -0.569  -20.484 1.00 94.73  ? 88  ASN B ND2  1 
ATOM   3131 H H    . ASN B 1 88  ? -0.510  2.120   -22.126 1.00 102.75 ? 88  ASN B H    1 
ATOM   3132 H HA   . ASN B 1 88  ? -1.374  -0.258  -21.846 1.00 101.70 ? 88  ASN B HA   1 
ATOM   3133 H HB2  . ASN B 1 88  ? 0.285   1.307   -20.463 1.00 112.04 ? 88  ASN B HB2  1 
ATOM   3134 H HB3  . ASN B 1 88  ? -0.723  0.693   -19.399 1.00 112.04 ? 88  ASN B HB3  1 
ATOM   3135 H HD21 . ASN B 1 88  ? 2.318   -1.257  -20.479 1.00 113.76 ? 88  ASN B HD21 1 
ATOM   3136 H HD22 . ASN B 1 88  ? 2.128   0.211   -20.644 1.00 113.76 ? 88  ASN B HD22 1 
ATOM   3137 N N    . MET B 1 89  ? -3.264  1.816   -20.350 1.00 76.42  ? 89  MET B N    1 
ATOM   3138 C CA   . MET B 1 89  ? -4.515  1.956   -19.622 1.00 75.28  ? 89  MET B CA   1 
ATOM   3139 C C    . MET B 1 89  ? -5.733  2.142   -20.519 1.00 69.95  ? 89  MET B C    1 
ATOM   3140 O O    . MET B 1 89  ? -6.858  2.044   -20.016 1.00 65.58  ? 89  MET B O    1 
ATOM   3141 C CB   . MET B 1 89  ? -4.417  3.168   -18.693 1.00 63.85  ? 89  MET B CB   1 
ATOM   3142 C CG   . MET B 1 89  ? -3.249  3.062   -17.768 1.00 69.68  ? 89  MET B CG   1 
ATOM   3143 S SD   . MET B 1 89  ? -3.193  1.488   -16.915 1.00 70.35  ? 89  MET B SD   1 
ATOM   3144 C CE   . MET B 1 89  ? -4.804  1.531   -16.130 1.00 64.38  ? 89  MET B CE   1 
ATOM   3145 H H    . MET B 1 89  ? -2.884  2.559   -20.556 1.00 91.80  ? 89  MET B H    1 
ATOM   3146 H HA   . MET B 1 89  ? -4.648  1.152   -19.095 1.00 90.43  ? 89  MET B HA   1 
ATOM   3147 H HB2  . MET B 1 89  ? -4.312  3.972   -19.226 1.00 76.71  ? 89  MET B HB2  1 
ATOM   3148 H HB3  . MET B 1 89  ? -5.225  3.228   -18.159 1.00 76.71  ? 89  MET B HB3  1 
ATOM   3149 H HG2  . MET B 1 89  ? -2.430  3.156   -18.279 1.00 83.71  ? 89  MET B HG2  1 
ATOM   3150 H HG3  . MET B 1 89  ? -3.307  3.764   -17.101 1.00 83.71  ? 89  MET B HG3  1 
ATOM   3151 H HE1  . MET B 1 89  ? -4.821  0.881   -15.410 1.00 77.35  ? 89  MET B HE1  1 
ATOM   3152 H HE2  . MET B 1 89  ? -4.959  2.421   -15.776 1.00 77.35  ? 89  MET B HE2  1 
ATOM   3153 H HE3  . MET B 1 89  ? -5.482  1.314   -16.788 1.00 77.35  ? 89  MET B HE3  1 
ATOM   3154 N N    . ARG B 1 90  ? -5.550  2.420   -21.807 1.00 66.66  ? 90  ARG B N    1 
ATOM   3155 C CA   . ARG B 1 90  ? -6.685  2.868   -22.599 1.00 71.93  ? 90  ARG B CA   1 
ATOM   3156 C C    . ARG B 1 90  ? -7.885  1.914   -22.497 1.00 73.81  ? 90  ARG B C    1 
ATOM   3157 O O    . ARG B 1 90  ? -9.010  2.356   -22.234 1.00 71.58  ? 90  ARG B O    1 
ATOM   3158 C CB   . ARG B 1 90  ? -6.276  3.056   -24.064 1.00 79.69  ? 90  ARG B CB   1 
ATOM   3159 C CG   . ARG B 1 90  ? -7.375  3.740   -24.874 1.00 105.84 ? 90  ARG B CG   1 
ATOM   3160 C CD   . ARG B 1 90  ? -7.101  3.962   -26.377 1.00 100.27 ? 90  ARG B CD   1 
ATOM   3161 N NE   . ARG B 1 90  ? -5.952  4.800   -26.711 1.00 110.57 ? 90  ARG B NE   1 
ATOM   3162 C CZ   . ARG B 1 90  ? -5.863  6.101   -26.456 1.00 105.61 ? 90  ARG B CZ   1 
ATOM   3163 N NH1  . ARG B 1 90  ? -6.893  6.785   -25.973 1.00 100.14 ? 90  ARG B NH1  1 
ATOM   3164 N NH2  . ARG B 1 90  ? -4.723  6.739   -26.722 1.00 97.38  ? 90  ARG B NH2  1 
ATOM   3165 H H    . ARG B 1 90  ? -4.804  2.359   -22.230 1.00 80.09  ? 90  ARG B H    1 
ATOM   3166 H HA   . ARG B 1 90  ? -6.964  3.728   -22.247 1.00 86.40  ? 90  ARG B HA   1 
ATOM   3167 H HB2  . ARG B 1 90  ? -5.479  3.607   -24.105 1.00 95.72  ? 90  ARG B HB2  1 
ATOM   3168 H HB3  . ARG B 1 90  ? -6.100  2.188   -24.460 1.00 95.72  ? 90  ARG B HB3  1 
ATOM   3169 H HG2  . ARG B 1 90  ? -8.177  3.198   -24.811 1.00 127.10 ? 90  ARG B HG2  1 
ATOM   3170 H HG3  . ARG B 1 90  ? -7.535  4.615   -24.486 1.00 127.10 ? 90  ARG B HG3  1 
ATOM   3171 H HD2  . ARG B 1 90  ? -6.950  3.096   -26.788 1.00 120.42 ? 90  ARG B HD2  1 
ATOM   3172 H HD3  . ARG B 1 90  ? -7.883  4.382   -26.769 1.00 120.42 ? 90  ARG B HD3  1 
ATOM   3173 H HE   . ARG B 1 90  ? -5.284  4.424   -27.100 1.00 132.77 ? 90  ARG B HE   1 
ATOM   3174 H HH11 . ARG B 1 90  ? -7.639  6.385   -25.817 1.00 120.26 ? 90  ARG B HH11 1 
ATOM   3175 H HH12 . ARG B 1 90  ? -6.815  7.626   -25.815 1.00 120.26 ? 90  ARG B HH12 1 
ATOM   3176 H HH21 . ARG B 1 90  ? -4.057  6.308   -27.054 1.00 116.94 ? 90  ARG B HH21 1 
ATOM   3177 H HH22 . ARG B 1 90  ? -4.654  7.581   -26.561 1.00 116.94 ? 90  ARG B HH22 1 
ATOM   3178 N N    . LEU B 1 91  ? -7.677  0.615   -22.741 1.00 64.15  ? 91  LEU B N    1 
ATOM   3179 C CA   . LEU B 1 91  ? -8.815  -0.305  -22.802 1.00 69.09  ? 91  LEU B CA   1 
ATOM   3180 C C    . LEU B 1 91  ? -9.514  -0.403  -21.445 1.00 67.11  ? 91  LEU B C    1 
ATOM   3181 O O    . LEU B 1 91  ? -10.753 -0.404  -21.373 1.00 57.14  ? 91  LEU B O    1 
ATOM   3182 C CB   . LEU B 1 91  ? -8.372  -1.691  -23.284 1.00 68.57  ? 91  LEU B CB   1 
ATOM   3183 C CG   . LEU B 1 91  ? -9.430  -2.808  -23.218 1.00 63.92  ? 91  LEU B CG   1 
ATOM   3184 C CD1  . LEU B 1 91  ? -10.673 -2.476  -24.010 1.00 70.79  ? 91  LEU B CD1  1 
ATOM   3185 C CD2  . LEU B 1 91  ? -8.814  -4.145  -23.767 1.00 73.38  ? 91  LEU B CD2  1 
ATOM   3186 H H    . LEU B 1 91  ? -6.909  0.252   -22.870 1.00 77.07  ? 91  LEU B H    1 
ATOM   3187 H HA   . LEU B 1 91  ? -9.450  0.036   -23.452 1.00 83.00  ? 91  LEU B HA   1 
ATOM   3188 H HB2  . LEU B 1 91  ? -8.096  -1.614  -24.211 1.00 82.37  ? 91  LEU B HB2  1 
ATOM   3189 H HB3  . LEU B 1 91  ? -7.623  -1.975  -22.737 1.00 82.37  ? 91  LEU B HB3  1 
ATOM   3190 H HG   . LEU B 1 91  ? -9.696  -2.910  -22.291 1.00 76.80  ? 91  LEU B HG   1 
ATOM   3191 H HD11 . LEU B 1 91  ? -11.232 -3.266  -24.067 1.00 85.04  ? 91  LEU B HD11 1 
ATOM   3192 H HD12 . LEU B 1 91  ? -11.154 -1.763  -23.560 1.00 85.04  ? 91  LEU B HD12 1 
ATOM   3193 H HD13 . LEU B 1 91  ? -10.414 -2.189  -24.900 1.00 85.04  ? 91  LEU B HD13 1 
ATOM   3194 H HD21 . LEU B 1 91  ? -9.475  -4.851  -23.692 1.00 88.15  ? 91  LEU B HD21 1 
ATOM   3195 H HD22 . LEU B 1 91  ? -8.567  -4.020  -24.697 1.00 88.15  ? 91  LEU B HD22 1 
ATOM   3196 H HD23 . LEU B 1 91  ? -8.030  -4.370  -23.243 1.00 88.15  ? 91  LEU B HD23 1 
ATOM   3197 N N    . ALA B 1 92  ? -8.734  -0.461  -20.361 1.00 61.97  ? 92  ALA B N    1 
ATOM   3198 C CA   . ALA B 1 92  ? -9.307  -0.500  -19.029 1.00 60.04  ? 92  ALA B CA   1 
ATOM   3199 C C    . ALA B 1 92  ? -10.125 0.752   -18.765 1.00 61.52  ? 92  ALA B C    1 
ATOM   3200 O O    . ALA B 1 92  ? -11.183 0.688   -18.128 1.00 53.64  ? 92  ALA B O    1 
ATOM   3201 C CB   . ALA B 1 92  ? -8.192  -0.653  -17.996 1.00 56.89  ? 92  ALA B CB   1 
ATOM   3202 H H    . ALA B 1 92  ? -7.874  -0.478  -20.377 1.00 74.46  ? 92  ALA B H    1 
ATOM   3203 H HA   . ALA B 1 92  ? -9.894  -1.267  -18.947 1.00 72.14  ? 92  ALA B HA   1 
ATOM   3204 H HB1  . ALA B 1 92  ? -8.580  -0.630  -17.107 1.00 68.36  ? 92  ALA B HB1  1 
ATOM   3205 H HB2  . ALA B 1 92  ? -7.744  -1.501  -18.139 1.00 68.36  ? 92  ALA B HB2  1 
ATOM   3206 H HB3  . ALA B 1 92  ? -7.562  0.076   -18.100 1.00 68.36  ? 92  ALA B HB3  1 
ATOM   3207 N N    . PHE B 1 93  ? -9.663  1.904   -19.270 1.00 57.83  ? 93  PHE B N    1 
ATOM   3208 C CA   . PHE B 1 93  ? -10.422 3.144   -19.084 1.00 60.03  ? 93  PHE B CA   1 
ATOM   3209 C C    . PHE B 1 93  ? -11.738 3.121   -19.872 1.00 56.90  ? 93  PHE B C    1 
ATOM   3210 O O    . PHE B 1 93  ? -12.789 3.536   -19.362 1.00 54.03  ? 93  PHE B O    1 
ATOM   3211 C CB   . PHE B 1 93  ? -9.597  4.353   -19.529 1.00 57.62  ? 93  PHE B CB   1 
ATOM   3212 C CG   . PHE B 1 93  ? -8.483  4.722   -18.578 1.00 63.84  ? 93  PHE B CG   1 
ATOM   3213 C CD1  . PHE B 1 93  ? -8.590  4.453   -17.230 1.00 59.17  ? 93  PHE B CD1  1 
ATOM   3214 C CD2  . PHE B 1 93  ? -7.320  5.311   -19.047 1.00 70.52  ? 93  PHE B CD2  1 
ATOM   3215 C CE1  . PHE B 1 93  ? -7.593  4.769   -16.359 1.00 57.75  ? 93  PHE B CE1  1 
ATOM   3216 C CE2  . PHE B 1 93  ? -6.274  5.661   -18.163 1.00 71.51  ? 93  PHE B CE2  1 
ATOM   3217 C CZ   . PHE B 1 93  ? -6.399  5.376   -16.826 1.00 62.70  ? 93  PHE B CZ   1 
ATOM   3218 H H    . PHE B 1 93  ? -8.932  1.991   -19.714 1.00 69.49  ? 93  PHE B H    1 
ATOM   3219 H HA   . PHE B 1 93  ? -10.618 3.228   -18.138 1.00 72.13  ? 93  PHE B HA   1 
ATOM   3220 H HB2  . PHE B 1 93  ? -9.196  4.155   -20.390 1.00 69.24  ? 93  PHE B HB2  1 
ATOM   3221 H HB3  . PHE B 1 93  ? -10.186 5.120   -19.606 1.00 69.24  ? 93  PHE B HB3  1 
ATOM   3222 H HD1  . PHE B 1 93  ? -9.362  4.046   -16.908 1.00 71.10  ? 93  PHE B HD1  1 
ATOM   3223 H HD2  . PHE B 1 93  ? -7.227  5.479   -19.957 1.00 84.72  ? 93  PHE B HD2  1 
ATOM   3224 H HE1  . PHE B 1 93  ? -7.695  4.585   -15.453 1.00 69.39  ? 93  PHE B HE1  1 
ATOM   3225 H HE2  . PHE B 1 93  ? -5.508  6.081   -18.484 1.00 85.90  ? 93  PHE B HE2  1 
ATOM   3226 H HZ   . PHE B 1 93  ? -5.710  5.577   -16.235 1.00 75.34  ? 93  PHE B HZ   1 
ATOM   3227 N N    . GLU B 1 94  ? -11.689 2.706   -21.142 1.00 58.99  ? 94  GLU B N    1 
ATOM   3228 C CA   . GLU B 1 94  ? -12.915 2.646   -21.925 1.00 62.51  ? 94  GLU B CA   1 
ATOM   3229 C C    . GLU B 1 94  ? -13.928 1.729   -21.244 1.00 55.22  ? 94  GLU B C    1 
ATOM   3230 O O    . GLU B 1 94  ? -15.090 2.111   -21.010 1.00 56.02  ? 94  GLU B O    1 
ATOM   3231 C CB   . GLU B 1 94  ? -12.591 2.189   -23.344 1.00 70.02  ? 94  GLU B CB   1 
ATOM   3232 C CG   . GLU B 1 94  ? -11.626 3.154   -24.064 1.00 81.60  ? 94  GLU B CG   1 
ATOM   3233 C CD   . GLU B 1 94  ? -11.142 2.668   -25.457 1.00 98.95  ? 94  GLU B CD   1 
ATOM   3234 O OE1  . GLU B 1 94  ? -11.498 1.532   -25.868 1.00 96.32  ? 94  GLU B OE1  1 
ATOM   3235 O OE2  . GLU B 1 94  ? -10.372 3.421   -26.122 1.00 100.87 ? 94  GLU B OE2  1 
ATOM   3236 H H    . GLU B 1 94  ? -10.976 2.463   -21.557 1.00 70.88  ? 94  GLU B H    1 
ATOM   3237 H HA   . GLU B 1 94  ? -13.316 3.527   -21.993 1.00 75.10  ? 94  GLU B HA   1 
ATOM   3238 H HB2  . GLU B 1 94  ? -12.173 1.315   -23.308 1.00 84.12  ? 94  GLU B HB2  1 
ATOM   3239 H HB3  . GLU B 1 94  ? -13.412 2.143   -23.859 1.00 84.12  ? 94  GLU B HB3  1 
ATOM   3240 H HG2  . GLU B 1 94  ? -12.077 4.003   -24.192 1.00 98.02  ? 94  GLU B HG2  1 
ATOM   3241 H HG3  . GLU B 1 94  ? -10.840 3.276   -23.509 1.00 98.02  ? 94  GLU B HG3  1 
ATOM   3242 N N    . SER B 1 95  ? -13.474 0.552   -20.824 1.00 50.22  ? 95  SER B N    1 
ATOM   3243 C CA   . SER B 1 95  ? -14.348 -0.383  -20.124 1.00 56.84  ? 95  SER B CA   1 
ATOM   3244 C C    . SER B 1 95  ? -14.913 0.224   -18.841 1.00 55.49  ? 95  SER B C    1 
ATOM   3245 O O    . SER B 1 95  ? -16.136 0.120   -18.574 1.00 50.78  ? 95  SER B O    1 
ATOM   3246 C CB   . SER B 1 95  ? -13.586 -1.679  -19.845 1.00 50.75  ? 95  SER B CB   1 
ATOM   3247 O OG   . SER B 1 95  ? -13.211 -2.276  -21.081 1.00 48.59  ? 95  SER B OG   1 
ATOM   3248 H H    . SER B 1 95  ? -12.668 0.271   -20.930 1.00 60.36  ? 95  SER B H    1 
ATOM   3249 H HA   . SER B 1 95  ? -15.107 -0.599  -20.689 1.00 68.30  ? 95  SER B HA   1 
ATOM   3250 H HB2  . SER B 1 95  ? -12.789 -1.479  -19.329 1.00 60.99  ? 95  SER B HB2  1 
ATOM   3251 H HB3  . SER B 1 95  ? -14.156 -2.289  -19.353 1.00 60.99  ? 95  SER B HB3  1 
ATOM   3252 H HG   . SER B 1 95  ? -12.642 -1.796  -21.471 1.00 58.40  ? 95  SER B HG   1 
ATOM   3253 N N    . TRP B 1 96  ? -14.057 0.900   -18.055 1.00 50.69  ? 96  TRP B N    1 
ATOM   3254 C CA   . TRP B 1 96  ? -14.559 1.550   -16.844 1.00 53.83  ? 96  TRP B CA   1 
ATOM   3255 C C    . TRP B 1 96  ? -15.680 2.494   -17.211 1.00 55.06  ? 96  TRP B C    1 
ATOM   3256 O O    . TRP B 1 96  ? -16.693 2.587   -16.506 1.00 47.11  ? 96  TRP B O    1 
ATOM   3257 C CB   . TRP B 1 96  ? -13.485 2.338   -16.089 1.00 50.19  ? 96  TRP B CB   1 
ATOM   3258 C CG   . TRP B 1 96  ? -13.834 2.369   -14.656 1.00 50.81  ? 96  TRP B CG   1 
ATOM   3259 C CD1  . TRP B 1 96  ? -14.939 2.921   -14.113 1.00 52.71  ? 96  TRP B CD1  1 
ATOM   3260 C CD2  . TRP B 1 96  ? -13.123 1.745   -13.589 1.00 50.00  ? 96  TRP B CD2  1 
ATOM   3261 N NE1  . TRP B 1 96  ? -14.941 2.732   -12.750 1.00 47.39  ? 96  TRP B NE1  1 
ATOM   3262 C CE2  . TRP B 1 96  ? -13.851 1.987   -12.408 1.00 52.76  ? 96  TRP B CE2  1 
ATOM   3263 C CE3  . TRP B 1 96  ? -11.930 1.009   -13.517 1.00 50.94  ? 96  TRP B CE3  1 
ATOM   3264 C CZ2  . TRP B 1 96  ? -13.419 1.548   -11.158 1.00 50.54  ? 96  TRP B CZ2  1 
ATOM   3265 C CZ3  . TRP B 1 96  ? -11.510 0.556   -12.298 1.00 47.04  ? 96  TRP B CZ3  1 
ATOM   3266 C CH2  . TRP B 1 96  ? -12.252 0.825   -11.122 1.00 47.44  ? 96  TRP B CH2  1 
ATOM   3267 H H    . TRP B 1 96  ? -13.214 0.991   -18.199 1.00 60.93  ? 96  TRP B H    1 
ATOM   3268 H HA   . TRP B 1 96  ? -14.858 0.848   -16.245 1.00 64.69  ? 96  TRP B HA   1 
ATOM   3269 H HB2  . TRP B 1 96  ? -12.623 1.908   -16.196 1.00 60.32  ? 96  TRP B HB2  1 
ATOM   3270 H HB3  . TRP B 1 96  ? -13.446 3.247   -16.425 1.00 60.32  ? 96  TRP B HB3  1 
ATOM   3271 H HD1  . TRP B 1 96  ? -15.602 3.365   -14.591 1.00 63.35  ? 96  TRP B HD1  1 
ATOM   3272 H HE1  . TRP B 1 96  ? -15.533 3.034   -12.204 1.00 56.96  ? 96  TRP B HE1  1 
ATOM   3273 H HE3  . TRP B 1 96  ? -11.434 0.834   -14.284 1.00 61.22  ? 96  TRP B HE3  1 
ATOM   3274 H HZ2  . TRP B 1 96  ? -13.899 1.735   -10.384 1.00 60.75  ? 96  TRP B HZ2  1 
ATOM   3275 H HZ3  . TRP B 1 96  ? -10.724 0.062   -12.240 1.00 56.54  ? 96  TRP B HZ3  1 
ATOM   3276 H HH2  . TRP B 1 96  ? -11.941 0.504   -10.306 1.00 57.02  ? 96  TRP B HH2  1 
ATOM   3277 N N    . SER B 1 97  ? -15.486 3.229   -18.302 1.00 48.21  ? 97  SER B N    1 
ATOM   3278 C CA   . SER B 1 97  ? -16.435 4.249   -18.659 1.00 54.81  ? 97  SER B CA   1 
ATOM   3279 C C    . SER B 1 97  ? -17.789 3.635   -18.992 1.00 55.94  ? 97  SER B C    1 
ATOM   3280 O O    . SER B 1 97  ? -18.816 4.276   -18.807 1.00 47.15  ? 97  SER B O    1 
ATOM   3281 C CB   . SER B 1 97  ? -15.873 5.057   -19.825 1.00 53.39  ? 97  SER B CB   1 
ATOM   3282 O OG   . SER B 1 97  ? -16.233 4.442   -21.058 1.00 62.32  ? 97  SER B OG   1 
ATOM   3283 H H    . SER B 1 97  ? -14.818 3.152   -18.839 1.00 57.94  ? 97  SER B H    1 
ATOM   3284 H HA   . SER B 1 97  ? -16.576 4.862   -17.920 1.00 65.86  ? 97  SER B HA   1 
ATOM   3285 H HB2  . SER B 1 97  ? -16.238 5.955   -19.797 1.00 64.16  ? 97  SER B HB2  1 
ATOM   3286 H HB3  . SER B 1 97  ? -14.906 5.089   -19.755 1.00 64.16  ? 97  SER B HB3  1 
ATOM   3287 H HG   . SER B 1 97  ? -15.872 3.686   -21.118 1.00 74.87  ? 97  SER B HG   1 
ATOM   3288 N N    . ARG B 1 98  ? -17.804 2.392   -19.439 1.00 52.86  ? 98  ARG B N    1 
ATOM   3289 C CA   . ARG B 1 98  ? -19.093 1.782   -19.781 1.00 55.52  ? 98  ARG B CA   1 
ATOM   3290 C C    . ARG B 1 98  ? -19.804 1.120   -18.596 1.00 48.71  ? 98  ARG B C    1 
ATOM   3291 O O    . ARG B 1 98  ? -20.978 0.736   -18.716 1.00 51.32  ? 98  ARG B O    1 
ATOM   3292 C CB   . ARG B 1 98  ? -18.877 0.713   -20.856 1.00 55.75  ? 98  ARG B CB   1 
ATOM   3293 C CG   . ARG B 1 98  ? -18.886 1.218   -22.280 1.00 58.20  ? 98  ARG B CG   1 
ATOM   3294 C CD   . ARG B 1 98  ? -20.282 1.685   -22.787 1.00 60.56  ? 98  ARG B CD   1 
ATOM   3295 N NE   . ARG B 1 98  ? -21.459 0.949   -22.279 1.00 59.62  ? 98  ARG B NE   1 
ATOM   3296 C CZ   . ARG B 1 98  ? -22.056 -0.038  -22.936 1.00 63.12  ? 98  ARG B CZ   1 
ATOM   3297 N NH1  . ARG B 1 98  ? -21.594 -0.470  -24.099 1.00 67.38  ? 98  ARG B NH1  1 
ATOM   3298 N NH2  . ARG B 1 98  ? -23.169 -0.589  -22.437 1.00 70.37  ? 98  ARG B NH2  1 
ATOM   3299 H H    . ARG B 1 98  ? -17.113 1.893   -19.551 1.00 63.53  ? 98  ARG B H    1 
ATOM   3300 H HA   . ARG B 1 98  ? -19.675 2.480   -20.121 1.00 66.71  ? 98  ARG B HA   1 
ATOM   3301 H HB2  . ARG B 1 98  ? -18.015 0.295   -20.703 1.00 66.99  ? 98  ARG B HB2  1 
ATOM   3302 H HB3  . ARG B 1 98  ? -19.584 0.054   -20.778 1.00 66.99  ? 98  ARG B HB3  1 
ATOM   3303 H HG2  . ARG B 1 98  ? -18.283 1.976   -22.344 1.00 69.93  ? 98  ARG B HG2  1 
ATOM   3304 H HG3  . ARG B 1 98  ? -18.586 0.505   -22.864 1.00 69.93  ? 98  ARG B HG3  1 
ATOM   3305 H HD2  . ARG B 1 98  ? -20.399 2.614   -22.533 1.00 72.77  ? 98  ARG B HD2  1 
ATOM   3306 H HD3  . ARG B 1 98  ? -20.294 1.603   -23.754 1.00 72.77  ? 98  ARG B HD3  1 
ATOM   3307 H HE   . ARG B 1 98  ? -21.775 1.174   -21.512 1.00 71.64  ? 98  ARG B HE   1 
ATOM   3308 H HH11 . ARG B 1 98  ? -20.893 -0.110  -24.444 1.00 80.95  ? 98  ARG B HH11 1 
ATOM   3309 H HH12 . ARG B 1 98  ? -21.995 -1.110  -24.510 1.00 80.95  ? 98  ARG B HH12 1 
ATOM   3310 H HH21 . ARG B 1 98  ? -23.494 -0.304  -21.694 1.00 84.54  ? 98  ARG B HH21 1 
ATOM   3311 H HH22 . ARG B 1 98  ? -23.559 -1.228  -22.860 1.00 84.54  ? 98  ARG B HH22 1 
ATOM   3312 N N    . VAL B 1 99  ? -19.077 0.849   -17.524 1.00 44.88  ? 99  VAL B N    1 
ATOM   3313 C CA   . VAL B 1 99  ? -19.629 0.039   -16.447 1.00 46.38  ? 99  VAL B CA   1 
ATOM   3314 C C    . VAL B 1 99  ? -20.918 0.650   -15.909 1.00 52.65  ? 99  VAL B C    1 
ATOM   3315 O O    . VAL B 1 99  ? -21.834 -0.066  -15.495 1.00 48.41  ? 99  VAL B O    1 
ATOM   3316 C CB   . VAL B 1 99  ? -18.605 -0.128  -15.310 1.00 47.14  ? 99  VAL B CB   1 
ATOM   3317 C CG1  . VAL B 1 99  ? -19.313 -0.682  -14.045 1.00 49.53  ? 99  VAL B CG1  1 
ATOM   3318 C CG2  . VAL B 1 99  ? -17.459 -1.049  -15.695 1.00 53.29  ? 99  VAL B CG2  1 
ATOM   3319 H H    . VAL B 1 99  ? -18.270 1.118   -17.394 1.00 53.94  ? 99  VAL B H    1 
ATOM   3320 H HA   . VAL B 1 99  ? -19.831 -0.835  -16.817 1.00 55.75  ? 99  VAL B HA   1 
ATOM   3321 H HB   . VAL B 1 99  ? -18.224 0.745   -15.125 1.00 56.66  ? 99  VAL B HB   1 
ATOM   3322 H HG11 . VAL B 1 99  ? -18.643 -1.017  -13.428 1.00 59.53  ? 99  VAL B HG11 1 
ATOM   3323 H HG12 . VAL B 1 99  ? -19.819 0.033   -13.627 1.00 59.53  ? 99  VAL B HG12 1 
ATOM   3324 H HG13 . VAL B 1 99  ? -19.910 -1.400  -14.306 1.00 59.53  ? 99  VAL B HG13 1 
ATOM   3325 H HG21 . VAL B 1 99  ? -16.929 -1.242  -14.905 1.00 64.04  ? 99  VAL B HG21 1 
ATOM   3326 H HG22 . VAL B 1 99  ? -17.823 -1.872  -16.058 1.00 64.04  ? 99  VAL B HG22 1 
ATOM   3327 H HG23 . VAL B 1 99  ? -16.909 -0.608  -16.362 1.00 64.04  ? 99  VAL B HG23 1 
ATOM   3328 N N    . ASP B 1 100 ? -20.972 1.965   -15.827 1.00 46.38  ? 100 ASP B N    1 
ATOM   3329 C CA   . ASP B 1 100 ? -22.111 2.567   -15.152 1.00 57.99  ? 100 ASP B CA   1 
ATOM   3330 C C    . ASP B 1 100 ? -23.404 2.394   -15.964 1.00 55.88  ? 100 ASP B C    1 
ATOM   3331 O O    . ASP B 1 100 ? -24.474 2.099   -15.402 1.00 54.39  ? 100 ASP B O    1 
ATOM   3332 C CB   . ASP B 1 100 ? -21.807 4.034   -14.892 1.00 58.55  ? 100 ASP B CB   1 
ATOM   3333 C CG   . ASP B 1 100 ? -22.453 4.561   -13.615 1.00 73.10  ? 100 ASP B CG   1 
ATOM   3334 O OD1  . ASP B 1 100 ? -23.684 4.879   -13.631 1.00 61.83  ? 100 ASP B OD1  1 
ATOM   3335 O OD2  . ASP B 1 100 ? -21.723 4.656   -12.594 1.00 76.50  ? 100 ASP B OD2  1 
ATOM   3336 H H    . ASP B 1 100 ? -20.387 2.513   -16.139 1.00 55.74  ? 100 ASP B H    1 
ATOM   3337 H HA   . ASP B 1 100 ? -22.256 2.129   -14.298 1.00 69.68  ? 100 ASP B HA   1 
ATOM   3338 H HB2  . ASP B 1 100 ? -20.847 4.147   -14.810 1.00 70.35  ? 100 ASP B HB2  1 
ATOM   3339 H HB3  . ASP B 1 100 ? -22.141 4.561   -15.635 1.00 70.35  ? 100 ASP B HB3  1 
ATOM   3340 N N    . LYS B 1 101 ? -23.337 2.587   -17.277 1.00 57.26  ? 101 LYS B N    1 
ATOM   3341 C CA   . LYS B 1 101 ? -24.515 2.295   -18.103 1.00 55.43  ? 101 LYS B CA   1 
ATOM   3342 C C    . LYS B 1 101 ? -24.905 0.826   -17.989 1.00 58.13  ? 101 LYS B C    1 
ATOM   3343 O O    . LYS B 1 101 ? -26.093 0.493   -17.970 1.00 54.19  ? 101 LYS B O    1 
ATOM   3344 C CB   . LYS B 1 101 ? -24.271 2.686   -19.562 1.00 51.46  ? 101 LYS B CB   1 
ATOM   3345 C CG   . LYS B 1 101 ? -24.798 4.093   -19.967 1.00 64.95  ? 101 LYS B CG   1 
ATOM   3346 C CD   . LYS B 1 101 ? -26.353 4.182   -19.989 1.00 68.26  ? 101 LYS B CD   1 
ATOM   3347 C CE   . LYS B 1 101 ? -26.803 5.607   -20.295 1.00 68.73  ? 101 LYS B CE   1 
ATOM   3348 N NZ   . LYS B 1 101 ? -28.238 5.882   -19.972 1.00 73.78  ? 101 LYS B NZ   1 
ATOM   3349 H H    . LYS B 1 101 ? -22.649 2.876   -17.705 1.00 68.81  ? 101 LYS B H    1 
ATOM   3350 H HA   . LYS B 1 101 ? -25.257 2.834   -17.786 1.00 66.61  ? 101 LYS B HA   1 
ATOM   3351 H HB2  . LYS B 1 101 ? -23.314 2.676   -19.726 1.00 61.85  ? 101 LYS B HB2  1 
ATOM   3352 H HB3  . LYS B 1 101 ? -24.711 2.036   -20.131 1.00 61.85  ? 101 LYS B HB3  1 
ATOM   3353 H HG2  . LYS B 1 101 ? -24.471 4.747   -19.330 1.00 78.03  ? 101 LYS B HG2  1 
ATOM   3354 H HG3  . LYS B 1 101 ? -24.475 4.306   -20.857 1.00 78.03  ? 101 LYS B HG3  1 
ATOM   3355 H HD2  . LYS B 1 101 ? -26.702 3.594   -20.677 1.00 82.00  ? 101 LYS B HD2  1 
ATOM   3356 H HD3  . LYS B 1 101 ? -26.705 3.926   -19.123 1.00 82.00  ? 101 LYS B HD3  1 
ATOM   3357 H HE2  . LYS B 1 101 ? -26.263 6.222   -19.774 1.00 82.57  ? 101 LYS B HE2  1 
ATOM   3358 H HE3  . LYS B 1 101 ? -26.678 5.776   -21.242 1.00 82.57  ? 101 LYS B HE3  1 
ATOM   3359 H HZ1  . LYS B 1 101 ? -28.434 6.730   -20.158 1.00 88.63  ? 101 LYS B HZ1  1 
ATOM   3360 H HZ2  . LYS B 1 101 ? -28.765 5.351   -20.453 1.00 88.63  ? 101 LYS B HZ2  1 
ATOM   3361 H HZ3  . LYS B 1 101 ? -28.389 5.734   -19.108 1.00 88.63  ? 101 LYS B HZ3  1 
ATOM   3362 N N    . ILE B 1 102 ? -23.926 -0.085  -17.973 1.00 49.61  ? 102 ILE B N    1 
ATOM   3363 C CA   . ILE B 1 102 ? -24.298 -1.495  -17.913 1.00 51.80  ? 102 ILE B CA   1 
ATOM   3364 C C    . ILE B 1 102 ? -25.067 -1.780  -16.634 1.00 56.95  ? 102 ILE B C    1 
ATOM   3365 O O    . ILE B 1 102 ? -26.123 -2.439  -16.649 1.00 45.08  ? 102 ILE B O    1 
ATOM   3366 C CB   . ILE B 1 102 ? -23.073 -2.404  -18.014 1.00 50.83  ? 102 ILE B CB   1 
ATOM   3367 C CG1  . ILE B 1 102 ? -22.469 -2.252  -19.412 1.00 56.03  ? 102 ILE B CG1  1 
ATOM   3368 C CG2  . ILE B 1 102 ? -23.504 -3.822  -17.689 1.00 43.41  ? 102 ILE B CG2  1 
ATOM   3369 C CD1  . ILE B 1 102 ? -21.218 -3.088  -19.618 1.00 53.63  ? 102 ILE B CD1  1 
ATOM   3370 H H    . ILE B 1 102 ? -23.082 0.082   -17.995 1.00 59.63  ? 102 ILE B H    1 
ATOM   3371 H HA   . ILE B 1 102 ? -24.868 -1.679  -18.676 1.00 62.25  ? 102 ILE B HA   1 
ATOM   3372 H HB   . ILE B 1 102 ? -22.381 -2.160  -17.379 1.00 61.09  ? 102 ILE B HB   1 
ATOM   3373 H HG12 . ILE B 1 102 ? -23.126 -2.531  -20.069 1.00 67.33  ? 102 ILE B HG12 1 
ATOM   3374 H HG13 . ILE B 1 102 ? -22.233 -1.322  -19.553 1.00 67.33  ? 102 ILE B HG13 1 
ATOM   3375 H HG21 . ILE B 1 102 ? -22.804 -4.435  -17.963 1.00 52.18  ? 102 ILE B HG21 1 
ATOM   3376 H HG22 . ILE B 1 102 ? -23.653 -3.895  -16.733 1.00 52.18  ? 102 ILE B HG22 1 
ATOM   3377 H HG23 . ILE B 1 102 ? -24.324 -4.020  -18.168 1.00 52.18  ? 102 ILE B HG23 1 
ATOM   3378 H HD11 . ILE B 1 102 ? -20.728 -2.740  -20.381 1.00 64.45  ? 102 ILE B HD11 1 
ATOM   3379 H HD12 . ILE B 1 102 ? -20.668 -3.035  -18.821 1.00 64.45  ? 102 ILE B HD12 1 
ATOM   3380 H HD13 . ILE B 1 102 ? -21.476 -4.008  -19.783 1.00 64.45  ? 102 ILE B HD13 1 
ATOM   3381 N N    . ILE B 1 103 ? -24.541 -1.300  -15.508 1.00 47.23  ? 103 ILE B N    1 
ATOM   3382 C CA   . ILE B 1 103 ? -25.235 -1.537  -14.255 1.00 57.91  ? 103 ILE B CA   1 
ATOM   3383 C C    . ILE B 1 103 ? -26.634 -0.933  -14.298 1.00 58.92  ? 103 ILE B C    1 
ATOM   3384 O O    . ILE B 1 103 ? -27.595 -1.562  -13.851 1.00 55.91  ? 103 ILE B O    1 
ATOM   3385 C CB   . ILE B 1 103 ? -24.427 -1.002  -13.056 1.00 53.99  ? 103 ILE B CB   1 
ATOM   3386 C CG1  . ILE B 1 103 ? -23.067 -1.717  -12.903 1.00 52.65  ? 103 ILE B CG1  1 
ATOM   3387 C CG2  . ILE B 1 103 ? -25.231 -1.212  -11.779 1.00 53.08  ? 103 ILE B CG2  1 
ATOM   3388 C CD1  . ILE B 1 103 ? -23.224 -3.220  -12.679 1.00 54.24  ? 103 ILE B CD1  1 
ATOM   3389 H H    . ILE B 1 103 ? -23.810 -0.851  -15.449 1.00 56.76  ? 103 ILE B H    1 
ATOM   3390 H HA   . ILE B 1 103 ? -25.319 -2.497  -14.142 1.00 69.59  ? 103 ILE B HA   1 
ATOM   3391 H HB   . ILE B 1 103 ? -24.258 -0.061  -13.217 1.00 64.88  ? 103 ILE B HB   1 
ATOM   3392 H HG12 . ILE B 1 103 ? -22.547 -1.584  -13.711 1.00 63.27  ? 103 ILE B HG12 1 
ATOM   3393 H HG13 . ILE B 1 103 ? -22.597 -1.345  -12.141 1.00 63.27  ? 103 ILE B HG13 1 
ATOM   3394 H HG21 . ILE B 1 103 ? -24.633 -1.162  -11.017 1.00 63.78  ? 103 ILE B HG21 1 
ATOM   3395 H HG22 . ILE B 1 103 ? -25.907 -0.520  -11.715 1.00 63.78  ? 103 ILE B HG22 1 
ATOM   3396 H HG23 . ILE B 1 103 ? -25.653 -2.085  -11.812 1.00 63.78  ? 103 ILE B HG23 1 
ATOM   3397 H HD11 . ILE B 1 103 ? -22.348 -3.611  -12.537 1.00 65.18  ? 103 ILE B HD11 1 
ATOM   3398 H HD12 . ILE B 1 103 ? -23.782 -3.366  -11.900 1.00 65.18  ? 103 ILE B HD12 1 
ATOM   3399 H HD13 . ILE B 1 103 ? -23.639 -3.614  -13.462 1.00 65.18  ? 103 ILE B HD13 1 
ATOM   3400 N N    . GLU B 1 104 ? -26.769 0.319   -14.761 1.00 55.85  ? 104 GLU B N    1 
ATOM   3401 C CA   . GLU B 1 104 ? -28.101 0.936   -14.799 1.00 59.82  ? 104 GLU B CA   1 
ATOM   3402 C C    . GLU B 1 104 ? -29.047 0.092   -15.654 1.00 62.91  ? 104 GLU B C    1 
ATOM   3403 O O    . GLU B 1 104 ? -30.208 -0.131  -15.265 1.00 66.39  ? 104 GLU B O    1 
ATOM   3404 C CB   . GLU B 1 104 ? -27.985 2.388   -15.299 1.00 55.03  ? 104 GLU B CB   1 
ATOM   3405 C CG   . GLU B 1 104 ? -27.465 3.398   -14.179 1.00 60.34  ? 104 GLU B CG   1 
ATOM   3406 C CD   . GLU B 1 104 ? -27.197 4.871   -14.638 1.00 69.34  ? 104 GLU B CD   1 
ATOM   3407 O OE1  . GLU B 1 104 ? -26.924 5.114   -15.835 1.00 77.95  ? 104 GLU B OE1  1 
ATOM   3408 O OE2  . GLU B 1 104 ? -27.245 5.811   -13.791 1.00 64.65  ? 104 GLU B OE2  1 
ATOM   3409 H H    . GLU B 1 104 ? -26.128 0.815   -15.049 1.00 67.11  ? 104 GLU B H    1 
ATOM   3410 H HA   . GLU B 1 104 ? -28.482 0.982   -13.908 1.00 71.88  ? 104 GLU B HA   1 
ATOM   3411 H HB2  . GLU B 1 104 ? -27.359 2.416   -16.039 1.00 66.13  ? 104 GLU B HB2  1 
ATOM   3412 H HB3  . GLU B 1 104 ? -28.859 2.691   -15.591 1.00 66.13  ? 104 GLU B HB3  1 
ATOM   3413 H HG2  . GLU B 1 104 ? -28.132 3.436   -13.475 1.00 72.50  ? 104 GLU B HG2  1 
ATOM   3414 H HG3  . GLU B 1 104 ? -26.630 3.053   -13.826 1.00 72.50  ? 104 GLU B HG3  1 
ATOM   3415 N N    . ASN B 1 105 ? -28.543 -0.453  -16.781 1.00 53.86  ? 105 ASN B N    1 
ATOM   3416 C CA   . ASN B 1 105 ? -29.374 -1.269  -17.659 1.00 64.93  ? 105 ASN B CA   1 
ATOM   3417 C C    . ASN B 1 105 ? -29.789 -2.552  -16.955 1.00 70.89  ? 105 ASN B C    1 
ATOM   3418 O O    . ASN B 1 105 ? -30.953 -2.954  -17.005 1.00 64.84  ? 105 ASN B O    1 
ATOM   3419 C CB   . ASN B 1 105 ? -28.656 -1.592  -18.966 1.00 65.12  ? 105 ASN B CB   1 
ATOM   3420 C CG   . ASN B 1 105 ? -28.564 -0.413  -19.883 1.00 61.80  ? 105 ASN B CG   1 
ATOM   3421 O OD1  . ASN B 1 105 ? -29.235 0.578   -19.713 1.00 62.06  ? 105 ASN B OD1  1 
ATOM   3422 N ND2  . ASN B 1 105 ? -27.732 -0.522  -20.878 1.00 59.34  ? 105 ASN B ND2  1 
ATOM   3423 H H    . ASN B 1 105 ? -27.731 -0.362  -17.048 1.00 64.72  ? 105 ASN B H    1 
ATOM   3424 H HA   . ASN B 1 105 ? -30.165 -0.756  -17.886 1.00 78.01  ? 105 ASN B HA   1 
ATOM   3425 H HB2  . ASN B 1 105 ? -27.754 -1.888  -18.767 1.00 78.23  ? 105 ASN B HB2  1 
ATOM   3426 H HB3  . ASN B 1 105 ? -29.141 -2.293  -19.428 1.00 78.23  ? 105 ASN B HB3  1 
ATOM   3427 H HD21 . ASN B 1 105 ? -27.639 0.126   -21.435 1.00 71.30  ? 105 ASN B HD21 1 
ATOM   3428 H HD22 . ASN B 1 105 ? -27.274 -1.244  -20.978 1.00 71.30  ? 105 ASN B HD22 1 
ATOM   3429 N N    . LEU B 1 106 ? -28.835 -3.227  -16.320 1.00 65.22  ? 106 LEU B N    1 
ATOM   3430 C CA   . LEU B 1 106 ? -29.165 -4.402  -15.526 1.00 70.60  ? 106 LEU B CA   1 
ATOM   3431 C C    . LEU B 1 106 ? -30.303 -4.080  -14.553 1.00 76.49  ? 106 LEU B C    1 
ATOM   3432 O O    . LEU B 1 106 ? -31.285 -4.824  -14.460 1.00 76.62  ? 106 LEU B O    1 
ATOM   3433 C CB   . LEU B 1 106 ? -27.926 -4.874  -14.761 1.00 62.63  ? 106 LEU B CB   1 
ATOM   3434 C CG   . LEU B 1 106 ? -26.802 -5.416  -15.633 1.00 58.68  ? 106 LEU B CG   1 
ATOM   3435 C CD1  . LEU B 1 106 ? -25.551 -5.713  -14.807 1.00 60.01  ? 106 LEU B CD1  1 
ATOM   3436 C CD2  . LEU B 1 106 ? -27.200 -6.703  -16.347 1.00 59.08  ? 106 LEU B CD2  1 
ATOM   3437 H H    . LEU B 1 106 ? -27.999 -3.026  -16.333 1.00 78.35  ? 106 LEU B H    1 
ATOM   3438 H HA   . LEU B 1 106 ? -29.448 -5.121  -16.113 1.00 84.81  ? 106 LEU B HA   1 
ATOM   3439 H HB2  . LEU B 1 106 ? -27.570 -4.123  -14.260 1.00 75.24  ? 106 LEU B HB2  1 
ATOM   3440 H HB3  . LEU B 1 106 ? -28.191 -5.582  -14.153 1.00 75.24  ? 106 LEU B HB3  1 
ATOM   3441 H HG   . LEU B 1 106 ? -26.611 -4.730  -16.292 1.00 70.51  ? 106 LEU B HG   1 
ATOM   3442 H HD11 . LEU B 1 106 ? -24.840 -5.999  -15.402 1.00 72.11  ? 106 LEU B HD11 1 
ATOM   3443 H HD12 . LEU B 1 106 ? -25.285 -4.908  -14.336 1.00 72.11  ? 106 LEU B HD12 1 
ATOM   3444 H HD13 . LEU B 1 106 ? -25.753 -6.417  -14.171 1.00 72.11  ? 106 LEU B HD13 1 
ATOM   3445 H HD21 . LEU B 1 106 ? -26.430 -7.052  -16.823 1.00 70.99  ? 106 LEU B HD21 1 
ATOM   3446 H HD22 . LEU B 1 106 ? -27.502 -7.349  -15.689 1.00 70.99  ? 106 LEU B HD22 1 
ATOM   3447 H HD23 . LEU B 1 106 ? -27.915 -6.509  -16.973 1.00 70.99  ? 106 LEU B HD23 1 
ATOM   3448 N N    . GLU B 1 107 ? -30.201 -2.943  -13.853 1.00 58.45  ? 107 GLU B N    1 
ATOM   3449 C CA   . GLU B 1 107 ? -31.234 -2.559  -12.886 1.00 64.26  ? 107 GLU B CA   1 
ATOM   3450 C C    . GLU B 1 107 ? -32.583 -2.412  -13.556 1.00 62.58  ? 107 GLU B C    1 
ATOM   3451 O O    . GLU B 1 107 ? -33.616 -2.783  -12.982 1.00 67.85  ? 107 GLU B O    1 
ATOM   3452 C CB   . GLU B 1 107 ? -30.884 -1.242  -12.211 1.00 67.92  ? 107 GLU B CB   1 
ATOM   3453 C CG   . GLU B 1 107 ? -29.717 -1.353  -11.233 1.00 70.71  ? 107 GLU B CG   1 
ATOM   3454 C CD   . GLU B 1 107 ? -29.147 -0.006  -10.837 1.00 79.29  ? 107 GLU B CD   1 
ATOM   3455 O OE1  . GLU B 1 107 ? -29.415 0.999   -11.548 1.00 82.98  ? 107 GLU B OE1  1 
ATOM   3456 O OE2  . GLU B 1 107 ? -28.415 0.045   -9.820  1.00 88.60  ? 107 GLU B OE2  1 
ATOM   3457 H H    . GLU B 1 107 ? -29.552 -2.383  -13.919 1.00 70.23  ? 107 GLU B H    1 
ATOM   3458 H HA   . GLU B 1 107 ? -31.277 -3.255  -12.212 1.00 77.21  ? 107 GLU B HA   1 
ATOM   3459 H HB2  . GLU B 1 107 ? -30.640 -0.596  -12.892 1.00 81.60  ? 107 GLU B HB2  1 
ATOM   3460 H HB3  . GLU B 1 107 ? -31.657 -0.928  -11.717 1.00 81.60  ? 107 GLU B HB3  1 
ATOM   3461 H HG2  . GLU B 1 107 ? -30.023 -1.797  -10.427 1.00 84.94  ? 107 GLU B HG2  1 
ATOM   3462 H HG3  . GLU B 1 107 ? -29.007 -1.868  -11.647 1.00 84.94  ? 107 GLU B HG3  1 
ATOM   3463 N N    . ALA B 1 108 ? -32.596 -1.877  -14.773 1.00 65.41  ? 108 ALA B N    1 
ATOM   3464 C CA   . ALA B 1 108 ? -33.860 -1.749  -15.483 1.00 65.48  ? 108 ALA B CA   1 
ATOM   3465 C C    . ALA B 1 108 ? -34.501 -3.120  -15.676 1.00 66.39  ? 108 ALA B C    1 
ATOM   3466 O O    . ALA B 1 108 ? -35.626 -3.358  -15.234 1.00 78.10  ? 108 ALA B O    1 
ATOM   3467 C CB   . ALA B 1 108 ? -33.632 -1.049  -16.820 1.00 63.41  ? 108 ALA B CB   1 
ATOM   3468 H H    . ALA B 1 108 ? -31.906 -1.589  -15.198 1.00 78.59  ? 108 ALA B H    1 
ATOM   3469 H HA   . ALA B 1 108 ? -34.472 -1.201  -14.967 1.00 78.67  ? 108 ALA B HA   1 
ATOM   3470 H HB1  . ALA B 1 108 ? -34.478 -0.986  -17.292 1.00 76.18  ? 108 ALA B HB1  1 
ATOM   3471 H HB2  . ALA B 1 108 ? -33.279 -0.161  -16.656 1.00 76.18  ? 108 ALA B HB2  1 
ATOM   3472 H HB3  . ALA B 1 108 ? -33.000 -1.565  -17.344 1.00 76.18  ? 108 ALA B HB3  1 
ATOM   3473 N N    . ASN B 1 109 ? -33.763 -4.062  -16.230 1.00 67.52  ? 109 ASN B N    1 
ATOM   3474 C CA   . ASN B 1 109 ? -34.313 -5.347  -16.642 1.00 67.20  ? 109 ASN B CA   1 
ATOM   3475 C C    . ASN B 1 109 ? -34.610 -6.291  -15.475 1.00 67.90  ? 109 ASN B C    1 
ATOM   3476 O O    . ASN B 1 109 ? -34.286 -6.005  -14.317 1.00 69.64  ? 109 ASN B O    1 
ATOM   3477 C CB   . ASN B 1 109 ? -33.310 -5.990  -17.592 1.00 77.12  ? 109 ASN B CB   1 
ATOM   3478 C CG   . ASN B 1 109 ? -32.810 -5.016  -18.668 1.00 76.61  ? 109 ASN B CG   1 
ATOM   3479 O OD1  . ASN B 1 109 ? -33.549 -4.117  -19.109 1.00 75.09  ? 109 ASN B OD1  1 
ATOM   3480 N ND2  . ASN B 1 109 ? -31.527 -5.155  -19.050 1.00 74.41  ? 109 ASN B ND2  1 
ATOM   3481 H H    . ASN B 1 109 ? -32.920 -3.985  -16.383 1.00 81.12  ? 109 ASN B H    1 
ATOM   3482 H HA   . ASN B 1 109 ? -35.168 -5.204  -17.079 1.00 80.73  ? 109 ASN B HA   1 
ATOM   3483 H HB2  . ASN B 1 109 ? -32.543 -6.295  -17.083 1.00 92.64  ? 109 ASN B HB2  1 
ATOM   3484 H HB3  . ASN B 1 109 ? -33.733 -6.740  -18.038 1.00 92.64  ? 109 ASN B HB3  1 
ATOM   3485 H HD21 . ASN B 1 109 ? -31.198 -4.634  -19.650 1.00 89.39  ? 109 ASN B HD21 1 
ATOM   3486 H HD22 . ASN B 1 109 ? -31.035 -5.765  -18.694 1.00 89.39  ? 109 ASN B HD22 1 
HETATM 3487 O O    . HOH C 2 .   ? -16.314 -4.096  0.337   1.00 60.22  ? 201 HOH A O    1 
HETATM 3488 O O    . HOH D 2 .   ? 0.569   13.641  -16.526 1.00 47.50  ? 201 HOH B O    1 
HETATM 3489 O O    . HOH D 2 .   ? 9.960   11.807  -16.604 1.00 88.44  ? 202 HOH B O    1 
HETATM 3490 O O    . HOH D 2 .   ? -18.973 9.869   5.271   1.00 43.27  ? 203 HOH B O    1 
HETATM 3491 O O    . HOH D 2 .   ? -21.216 4.023   -17.986 1.00 51.20  ? 204 HOH B O    1 
HETATM 3492 O O    . HOH D 2 .   ? -3.644  16.569  -12.486 1.00 53.67  ? 205 HOH B O    1 
HETATM 3493 O O    . HOH D 2 .   ? -29.967 -7.263  -18.930 1.00 53.32  ? 206 HOH B O    1 
HETATM 3494 O O    . HOH D 2 .   ? -1.019  -6.161  -4.112  1.00 110.93 ? 207 HOH B O    1 
HETATM 3495 O O    . HOH D 2 .   ? -20.398 7.199   2.223   1.00 42.60  ? 208 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   . ALA A 2   ? 0.5879 1.1816 1.3310 -0.0504 0.0896  -0.0877 2   ALA A N   
2    C CA  . ALA A 2   ? 0.5644 1.1421 1.2940 -0.0076 0.0987  -0.0989 2   ALA A CA  
3    C C   . ALA A 2   ? 0.6765 1.2001 1.3667 0.0109  0.0572  -0.0982 2   ALA A C   
4    O O   . ALA A 2   ? 0.7701 1.2281 1.3852 0.0160  0.0567  -0.0984 2   ALA A O   
5    C CB  . ALA A 2   ? 0.5558 1.1875 1.3376 0.0189  0.1079  -0.1006 2   ALA A CB  
10   N N   . GLU A 3   ? 0.5050 1.0507 1.2369 0.0176  0.0204  -0.0954 3   GLU A N   
11   C CA  . GLU A 3   ? 0.5398 1.0320 1.2322 0.0330  -0.0172 -0.0959 3   GLU A CA  
12   C C   . GLU A 3   ? 0.5025 0.9347 1.1264 0.0059  -0.0320 -0.0878 3   GLU A C   
13   O O   . GLU A 3   ? 0.4443 0.8179 1.0059 0.0154  -0.0422 -0.0890 3   GLU A O   
14   C CB  . GLU A 3   ? 0.5974 1.1105 1.3283 0.0455  -0.0543 -0.0921 3   GLU A CB  
15   C CG  . GLU A 3   ? 0.6749 1.2271 1.4468 0.0795  -0.0423 -0.0968 3   GLU A CG  
16   C CD  . GLU A 3   ? 0.7913 1.3031 1.5224 0.1107  -0.0234 -0.1087 3   GLU A CD  
17   O OE1 . GLU A 3   ? 0.8395 1.2934 1.5233 0.1211  -0.0478 -0.1120 3   GLU A OE1 
18   O OE2 . GLU A 3   ? 0.7737 1.3072 1.5140 0.1230  0.0158  -0.1148 3   GLU A OE2 
25   N N   . ILE A 4   ? 0.3784 0.8235 1.0119 -0.0278 -0.0323 -0.0801 4   ILE A N   
26   C CA  . ILE A 4   ? 0.6428 1.0274 1.2114 -0.0495 -0.0485 -0.0736 4   ILE A CA  
27   C C   . ILE A 4   ? 0.6613 0.9963 1.1621 -0.0455 -0.0261 -0.0754 4   ILE A C   
28   O O   . ILE A 4   ? 0.4342 0.7181 0.8821 -0.0364 -0.0394 -0.0766 4   ILE A O   
29   C CB  . ILE A 4   ? 0.5146 0.9141 1.0993 -0.0875 -0.0539 -0.0649 4   ILE A CB  
30   C CG1 . ILE A 4   ? 0.5219 0.9520 1.1575 -0.0939 -0.0910 -0.0616 4   ILE A CG1 
31   C CG2 . ILE A 4   ? 0.5500 0.8785 1.0558 -0.1050 -0.0577 -0.0603 4   ILE A CG2 
32   C CD1 . ILE A 4   ? 0.6853 1.0540 1.2693 -0.0910 -0.1282 -0.0603 4   ILE A CD1 
44   N N   . PRO A 5   ? 0.6706 1.0189 1.1700 -0.0532 0.0079  -0.0755 5   PRO A N   
45   C CA  . PRO A 5   ? 0.6549 0.9542 1.0891 -0.0482 0.0243  -0.0768 5   PRO A CA  
46   C C   . PRO A 5   ? 0.6646 0.9432 1.0775 -0.0181 0.0203  -0.0840 5   PRO A C   
47   O O   . PRO A 5   ? 0.4389 0.6724 0.8001 -0.0147 0.0128  -0.0838 5   PRO A O   
48   C CB  . PRO A 5   ? 0.5378 0.8575 0.9775 -0.0603 0.0613  -0.0766 5   PRO A CB  
49   C CG  . PRO A 5   ? 0.5329 0.9267 1.0546 -0.0618 0.0704  -0.0790 5   PRO A CG  
50   C CD  . PRO A 5   ? 0.4916 0.9010 1.0486 -0.0683 0.0327  -0.0748 5   PRO A CD  
58   N N   . LYS A 6   ? 0.6228 0.9330 1.0754 0.0036  0.0225  -0.0903 6   LYS A N   
59   C CA  . LYS A 6   ? 0.6314 0.9129 1.0558 0.0293  0.0166  -0.0966 6   LYS A CA  
60   C C   . LYS A 6   ? 0.5925 0.8362 0.9845 0.0286  -0.0142 -0.0945 6   LYS A C   
61   O O   . LYS A 6   ? 0.5096 0.7137 0.8525 0.0335  -0.0156 -0.0962 6   LYS A O   
62   C CB  . LYS A 6   ? 0.6654 0.9822 1.1383 0.0557  0.0188  -0.1040 6   LYS A CB  
63   C CG  . LYS A 6   ? 0.6038 0.9421 1.0891 0.0684  0.0566  -0.1112 6   LYS A CG  
64   C CD  . LYS A 6   ? 0.9016 1.2790 1.4439 0.1008  0.0564  -0.1200 6   LYS A CD  
65   C CE  . LYS A 6   ? 0.8398 1.2251 1.3805 0.1208  0.0970  -0.1305 6   LYS A CE  
66   N NZ  . LYS A 6   ? 0.7427 1.1635 1.3392 0.1590  0.0965  -0.1409 6   LYS A NZ  
80   N N   . GLU A 7   ? 0.5802 0.8355 0.9980 0.0210  -0.0387 -0.0911 7   GLU A N   
81   C CA  . GLU A 7   ? 0.5203 0.7342 0.8995 0.0182  -0.0642 -0.0899 7   GLU A CA  
82   C C   . GLU A 7   ? 0.4672 0.6468 0.7976 0.0053  -0.0568 -0.0879 7   GLU A C   
83   O O   . GLU A 7   ? 0.5179 0.6636 0.8080 0.0087  -0.0635 -0.0901 7   GLU A O   
84   C CB  . GLU A 7   ? 0.5108 0.7364 0.9186 0.0082  -0.0921 -0.0859 7   GLU A CB  
85   C CG  . GLU A 7   ? 0.4930 0.6698 0.8540 0.0022  -0.1169 -0.0850 7   GLU A CG  
86   C CD  . GLU A 7   ? 0.5648 0.7506 0.9524 -0.0095 -0.1472 -0.0804 7   GLU A CD  
87   O OE1 . GLU A 7   ? 0.4724 0.6730 0.8767 -0.0308 -0.1477 -0.0754 7   GLU A OE1 
88   O OE2 . GLU A 7   ? 0.5172 0.6917 0.9057 0.0015  -0.1728 -0.0814 7   GLU A OE2 
95   N N   . MET A 8   ? 0.5025 0.6902 0.8362 -0.0103 -0.0442 -0.0837 8   MET A N   
96   C CA  . MET A 8   ? 0.4846 0.6375 0.7732 -0.0177 -0.0404 -0.0820 8   MET A CA  
97   C C   . MET A 8   ? 0.5252 0.6637 0.7852 -0.0057 -0.0280 -0.0855 8   MET A C   
98   O O   . MET A 8   ? 0.4300 0.5442 0.6591 -0.0030 -0.0333 -0.0872 8   MET A O   
99   C CB  . MET A 8   ? 0.4568 0.6105 0.7449 -0.0363 -0.0310 -0.0763 8   MET A CB  
100  C CG  . MET A 8   ? 0.4193 0.5735 0.7204 -0.0538 -0.0478 -0.0719 8   MET A CG  
101  S SD  . MET A 8   ? 0.5046 0.6433 0.7891 -0.0815 -0.0409 -0.0641 8   MET A SD  
102  C CE  . MET A 8   ? 0.3465 0.4969 0.6598 -0.1035 -0.0668 -0.0596 8   MET A CE  
112  N N   . LEU A 9   ? 0.5329 0.6867 0.8024 0.0005  -0.0103 -0.0870 9   LEU A N   
113  C CA  . LEU A 9   ? 0.5064 0.6407 0.7429 0.0087  -0.0016 -0.0897 9   LEU A CA  
114  C C   . LEU A 9   ? 0.5300 0.6506 0.7525 0.0189  -0.0140 -0.0940 9   LEU A C   
115  O O   . LEU A 9   ? 0.4465 0.5478 0.6385 0.0180  -0.0164 -0.0949 9   LEU A O   
116  C CB  . LEU A 9   ? 0.5354 0.6795 0.7760 0.0140  0.0201  -0.0919 9   LEU A CB  
117  C CG  . LEU A 9   ? 0.5358 0.6835 0.7733 0.0000  0.0386  -0.0877 9   LEU A CG  
118  C CD1 . LEU A 9   ? 0.5224 0.6806 0.7644 0.0093  0.0633  -0.0930 9   LEU A CD1 
119  C CD2 . LEU A 9   ? 0.5949 0.7081 0.7879 -0.0090 0.0346  -0.0832 9   LEU A CD2 
131  N N   . ARG A 10  ? 0.4923 0.6216 0.7357 0.0271  -0.0241 -0.0964 10  ARG A N   
132  C CA  . ARG A 10  ? 0.5534 0.6582 0.7721 0.0328  -0.0380 -0.0996 10  ARG A CA  
133  C C   . ARG A 10  ? 0.5485 0.6358 0.7436 0.0217  -0.0480 -0.0987 10  ARG A C   
134  O O   . ARG A 10  ? 0.5287 0.5969 0.6928 0.0191  -0.0487 -0.1008 10  ARG A O   
135  C CB  . ARG A 10  ? 0.5908 0.7013 0.8327 0.0439  -0.0531 -0.1012 10  ARG A CB  
136  C CG  . ARG A 10  ? 0.7258 0.8362 0.9732 0.0636  -0.0472 -0.1059 10  ARG A CG  
137  C CD  . ARG A 10  ? 0.6902 0.7870 0.9416 0.0769  -0.0716 -0.1078 10  ARG A CD  
138  N NE  . ARG A 10  ? 0.6731 0.8021 0.9728 0.0745  -0.0863 -0.1046 10  ARG A NE  
139  C CZ  . ARG A 10  ? 0.6761 0.8542 1.0354 0.0823  -0.0785 -0.1051 10  ARG A CZ  
140  N NH1 . ARG A 10  ? 0.8068 1.0050 1.1826 0.0963  -0.0531 -0.1100 10  ARG A NH1 
141  N NH2 . ARG A 10  ? 0.6032 0.8110 1.0051 0.0734  -0.0953 -0.1009 10  ARG A NH2 
155  N N   . ALA A 11  ? 0.5101 0.6021 0.7181 0.0143  -0.0558 -0.0963 11  ALA A N   
156  C CA  . ALA A 11  ? 0.4838 0.5552 0.6658 0.0068  -0.0616 -0.0974 11  ALA A CA  
157  C C   . ALA A 11  ? 0.4927 0.5641 0.6598 0.0061  -0.0491 -0.0985 11  ALA A C   
158  O O   . ALA A 11  ? 0.4939 0.5561 0.6404 0.0044  -0.0477 -0.1021 11  ALA A O   
159  C CB  . ALA A 11  ? 0.5546 0.6227 0.7455 -0.0012 -0.0718 -0.0947 11  ALA A CB  
165  N N   . GLN A 12  ? 0.4737 0.5561 0.6510 0.0067  -0.0404 -0.0953 12  GLN A N   
166  C CA  . GLN A 12  ? 0.4851 0.5657 0.6495 0.0080  -0.0349 -0.0954 12  GLN A CA  
167  C C   . GLN A 12  ? 0.4945 0.5771 0.6469 0.0089  -0.0323 -0.0978 12  GLN A C   
168  O O   . GLN A 12  ? 0.4577 0.5445 0.6035 0.0082  -0.0324 -0.1000 12  GLN A O   
169  C CB  . GLN A 12  ? 0.5715 0.6526 0.7382 0.0062  -0.0288 -0.0905 12  GLN A CB  
170  C CG  . GLN A 12  ? 0.5694 0.6434 0.7403 0.0000  -0.0314 -0.0869 12  GLN A CG  
171  C CD  . GLN A 12  ? 0.6061 0.6777 0.7737 -0.0072 -0.0220 -0.0814 12  GLN A CD  
172  O OE1 . GLN A 12  ? 0.5908 0.6564 0.7425 -0.0052 -0.0160 -0.0803 12  GLN A OE1 
173  N NE2 . GLN A 12  ? 0.5668 0.6398 0.7450 -0.0192 -0.0212 -0.0776 12  GLN A NE2 
182  N N   . THR A 13  ? 0.4042 0.4845 0.5544 0.0104  -0.0298 -0.0977 13  THR A N   
183  C CA  . THR A 13  ? 0.4855 0.5572 0.6141 0.0078  -0.0296 -0.0996 13  THR A CA  
184  C C   . THR A 13  ? 0.5188 0.5835 0.6345 0.0014  -0.0352 -0.1029 13  THR A C   
185  O O   . THR A 13  ? 0.4429 0.5121 0.5484 -0.0070 -0.0342 -0.1042 13  THR A O   
186  C CB  . THR A 13  ? 0.5504 0.6102 0.6698 0.0135  -0.0254 -0.1001 13  THR A CB  
187  O OG1 . THR A 13  ? 0.4923 0.5566 0.6166 0.0160  -0.0150 -0.0976 13  THR A OG1 
188  C CG2 . THR A 13  ? 0.5367 0.5777 0.6239 0.0070  -0.0283 -0.1015 13  THR A CG2 
196  N N   . ASN A 14  ? 0.5118 0.5652 0.6266 0.0029  -0.0417 -0.1041 14  ASN A N   
197  C CA  . ASN A 14  ? 0.4762 0.5123 0.5662 -0.0065 -0.0459 -0.1070 14  ASN A CA  
198  C C   . ASN A 14  ? 0.5069 0.5586 0.6003 -0.0126 -0.0379 -0.1097 14  ASN A C   
199  O O   . ASN A 14  ? 0.5601 0.6124 0.6378 -0.0239 -0.0327 -0.1125 14  ASN A O   
200  C CB  . ASN A 14  ? 0.5536 0.5687 0.6368 -0.0044 -0.0584 -0.1072 14  ASN A CB  
201  C CG  . ASN A 14  ? 0.6671 0.6726 0.7550 0.0067  -0.0676 -0.1060 14  ASN A CG  
202  O OD1 . ASN A 14  ? 0.6811 0.6850 0.7635 0.0110  -0.0621 -0.1063 14  ASN A OD1 
203  N ND2 . ASN A 14  ? 0.7626 0.7596 0.8592 0.0125  -0.0829 -0.1051 14  ASN A ND2 
210  C C9  . BP5 A 15  ? 0.5320 0.6071 0.6647 0.0144  -0.0272 -0.1158 15  BP5 A C9  
211  C C8  . BP5 A 15  ? 0.5920 0.6752 0.7377 0.0249  -0.0291 -0.1137 15  BP5 A C8  
212  C C7  . BP5 A 15  ? 0.5740 0.6577 0.7217 0.0381  -0.0259 -0.1194 15  BP5 A C7  
213  C C6  . BP5 A 15  ? 0.5560 0.6373 0.6942 0.0394  -0.0153 -0.1282 15  BP5 A C6  
214  C C5  . BP5 A 15  ? 0.5674 0.6494 0.7138 0.1014  0.0095  -0.1568 15  BP5 A C5  
215  C C4  . BP5 A 15  ? 0.6697 0.7607 0.8078 0.0780  0.0196  -0.1569 15  BP5 A C4  
216  C C3  . BP5 A 15  ? 0.5736 0.6565 0.7150 0.0580  -0.0078 -0.1369 15  BP5 A C3  
217  C C2  . BP5 A 15  ? 0.5194 0.5918 0.6650 0.0757  -0.0171 -0.1353 15  BP5 A C2  
218  C C1  . BP5 A 15  ? 0.5414 0.6108 0.6885 0.0985  -0.0108 -0.1450 15  BP5 A C1  
219  C C12 . BP5 A 15  ? 0.4861 0.5574 0.6172 0.0063  -0.0329 -0.1109 15  BP5 A C12 
220  C C11 . BP5 A 15  ? 0.5746 0.6407 0.6916 0.0134  -0.0195 -0.1233 15  BP5 A C11 
221  N N1  . BP5 A 15  ? 0.6217 0.7105 0.7557 0.0572  0.0091  -0.1468 15  BP5 A N1  
222  N N2  . BP5 A 15  ? 0.5991 0.6694 0.7185 0.0251  -0.0111 -0.1301 15  BP5 A N2  
223  C CA  . BP5 A 15  ? 0.5259 0.6006 0.6445 -0.0030 -0.0291 -0.1133 15  BP5 A CA  
224  C C   . BP5 A 15  ? 0.5157 0.6173 0.6457 -0.0043 -0.0230 -0.1145 15  BP5 A C   
225  O O   . BP5 A 15  ? 0.5203 0.6387 0.6527 -0.0088 -0.0142 -0.1198 15  BP5 A O   
226  N N   . BP5 A 15  ? 0.4785 0.5424 0.5923 -0.0050 -0.0362 -0.1092 15  BP5 A N   
231  N N   . ILE A 16  ? 0.4626 0.5697 0.5997 -0.0022 -0.0276 -0.1095 16  ILE A N   
232  C CA  . ILE A 16  ? 0.5167 0.6471 0.6639 -0.0049 -0.0280 -0.1092 16  ILE A CA  
233  C C   . ILE A 16  ? 0.5479 0.6828 0.6819 -0.0224 -0.0256 -0.1109 16  ILE A C   
234  O O   . ILE A 16  ? 0.4442 0.6099 0.5936 -0.0301 -0.0218 -0.1138 16  ILE A O   
235  C CB  . ILE A 16  ? 0.4806 0.6042 0.6259 -0.0010 -0.0349 -0.1030 16  ILE A CB  
236  C CG1 . ILE A 16  ? 0.4407 0.5606 0.5959 0.0120  -0.0373 -0.1012 16  ILE A CG1 
237  C CG2 . ILE A 16  ? 0.4876 0.6297 0.6370 -0.0078 -0.0417 -0.1015 16  ILE A CG2 
238  C CD1 . ILE A 16  ? 0.5017 0.6027 0.6440 0.0123  -0.0395 -0.0949 16  ILE A CD1 
250  N N   . LEU A 17  ? 0.4382 0.5428 0.5443 -0.0292 -0.0286 -0.1090 17  LEU A N   
251  C CA  . LEU A 17  ? 0.5249 0.6195 0.6055 -0.0484 -0.0289 -0.1095 17  LEU A CA  
252  C C   . LEU A 17  ? 0.5250 0.6297 0.6026 -0.0608 -0.0190 -0.1146 17  LEU A C   
253  O O   . LEU A 17  ? 0.4733 0.5994 0.5522 -0.0796 -0.0136 -0.1160 17  LEU A O   
254  C CB  . LEU A 17  ? 0.6156 0.6663 0.6609 -0.0485 -0.0356 -0.1078 17  LEU A CB  
255  C CG  . LEU A 17  ? 0.6466 0.6838 0.6867 -0.0385 -0.0397 -0.1046 17  LEU A CG  
256  C CD1 . LEU A 17  ? 0.5955 0.5893 0.6027 -0.0331 -0.0449 -0.1054 17  LEU A CD1 
257  C CD2 . LEU A 17  ? 0.6166 0.6616 0.6495 -0.0506 -0.0432 -0.1021 17  LEU A CD2 
269  N N   . LEU A 18  ? 0.4535 0.5444 0.5267 -0.0528 -0.0155 -0.1176 18  LEU A N   
270  C CA  . LEU A 18  ? 0.5620 0.6523 0.6207 -0.0651 -0.0028 -0.1235 18  LEU A CA  
271  C C   . LEU A 18  ? 0.5818 0.7223 0.6784 -0.0617 0.0118  -0.1291 18  LEU A C   
272  O O   . LEU A 18  ? 0.6699 0.8284 0.7633 -0.0785 0.0276  -0.1343 18  LEU A O   
273  C CB  . LEU A 18  ? 0.6606 0.7161 0.6983 -0.0575 -0.0056 -0.1252 18  LEU A CB  
274  C CG  . LEU A 18  ? 0.7861 0.7952 0.7905 -0.0593 -0.0226 -0.1206 18  LEU A CG  
275  C CD1 . LEU A 18  ? 0.7664 0.7507 0.7635 -0.0497 -0.0314 -0.1209 18  LEU A CD1 
276  C CD2 . LEU A 18  ? 0.7895 0.7647 0.7452 -0.0817 -0.0229 -0.1208 18  LEU A CD2 
288  N N   . ASN A 19  ? 0.5700 0.7358 0.7035 -0.0411 0.0072  -0.1282 19  ASN A N   
289  C CA  . ASN A 19  ? 0.5389 0.7545 0.7128 -0.0335 0.0174  -0.1340 19  ASN A CA  
290  C C   . ASN A 19  ? 0.5608 0.8170 0.7558 -0.0516 0.0162  -0.1322 19  ASN A C   
291  O O   . ASN A 19  ? 0.5883 0.8899 0.8105 -0.0595 0.0313  -0.1387 19  ASN A O   
292  C CB  . ASN A 19  ? 0.5285 0.7498 0.7277 -0.0060 0.0083  -0.1330 19  ASN A CB  
293  C CG  . ASN A 19  ? 0.5825 0.7789 0.7691 0.0095  0.0161  -0.1390 19  ASN A CG  
294  O OD1 . ASN A 19  ? 0.5596 0.7762 0.7615 0.0208  0.0304  -0.1483 19  ASN A OD1 
295  N ND2 . ASN A 19  ? 0.6133 0.7652 0.7718 0.0101  0.0065  -0.1342 19  ASN A ND2 
302  N N   . VAL A 20  ? 0.4395 0.6798 0.6207 -0.0606 -0.0004 -0.1240 20  VAL A N   
303  C CA  . VAL A 20  ? 0.5864 0.8539 0.7759 -0.0839 -0.0053 -0.1212 20  VAL A CA  
304  C C   . VAL A 20  ? 0.6103 0.8810 0.7803 -0.1132 0.0112  -0.1252 20  VAL A C   
305  O O   . VAL A 20  ? 0.5959 0.9199 0.7987 -0.1295 0.0208  -0.1286 20  VAL A O   
306  C CB  . VAL A 20  ? 0.5813 0.8106 0.7385 -0.0905 -0.0242 -0.1127 20  VAL A CB  
307  C CG1 . VAL A 20  ? 0.6518 0.8960 0.8039 -0.1202 -0.0320 -0.1093 20  VAL A CG1 
308  C CG2 . VAL A 20  ? 0.5700 0.7980 0.7432 -0.0668 -0.0376 -0.1087 20  VAL A CG2 
318  N N   . LEU A 21  ? 0.6217 0.8366 0.7389 -0.1208 0.0146  -0.1251 21  LEU A N   
319  C CA  . LEU A 21  ? 0.6739 0.8757 0.7557 -0.1524 0.0289  -0.1278 21  LEU A CA  
320  C C   . LEU A 21  ? 0.6349 0.8750 0.7405 -0.1526 0.0561  -0.1378 21  LEU A C   
321  O O   . LEU A 21  ? 0.6391 0.8932 0.7326 -0.1829 0.0744  -0.1413 21  LEU A O   
322  C CB  . LEU A 21  ? 0.6164 0.7402 0.6298 -0.1578 0.0210  -0.1249 21  LEU A CB  
323  C CG  . LEU A 21  ? 0.7286 0.8127 0.7139 -0.1581 -0.0011 -0.1174 21  LEU A CG  
324  C CD1 . LEU A 21  ? 0.8741 0.8840 0.7993 -0.1560 -0.0124 -0.1153 21  LEU A CD1 
325  C CD2 . LEU A 21  ? 0.7927 0.8825 0.7639 -0.1897 -0.0059 -0.1135 21  LEU A CD2 
337  N N   . LYS A 22  ? 0.6876 0.9393 0.8205 -0.1207 0.0608  -0.1430 22  LYS A N   
338  C CA  . LYS A 22  ? 0.6793 0.9710 0.8399 -0.1139 0.0881  -0.1545 22  LYS A CA  
339  C C   . LYS A 22  ? 0.6324 1.0080 0.8587 -0.1203 0.0973  -0.1579 22  LYS A C   
340  O O   . LYS A 22  ? 0.6448 1.0624 0.8901 -0.1321 0.1263  -0.1674 22  LYS A O   
341  C CB  . LYS A 22  ? 0.7549 1.0348 0.9283 -0.0757 0.0855  -0.1585 22  LYS A CB  
342  C CG  . LYS A 22  ? 0.7796 1.0837 0.9707 -0.0597 0.1129  -0.1720 22  LYS A CG  
343  C CD  . LYS A 22  ? 0.7879 1.0707 0.9867 -0.0219 0.1017  -0.1735 22  LYS A CD  
344  C CE  . LYS A 22  ? 0.8562 1.0638 0.9935 -0.0201 0.0979  -0.1732 22  LYS A CE  
345  N NZ  . LYS A 22  ? 0.8540 1.0425 0.9972 0.0120  0.0897  -0.1756 22  LYS A NZ  
359  N N   . GLN A 23  ? 0.6948 1.0968 0.9564 -0.1141 0.0730  -0.1504 23  GLN A N   
360  C CA  . GLN A 23  ? 0.6708 1.1550 0.9974 -0.1241 0.0751  -0.1521 23  GLN A CA  
361  C C   . GLN A 23  ? 0.6778 1.1756 0.9879 -0.1732 0.0829  -0.1493 23  GLN A C   
362  O O   . GLN A 23  ? 0.6977 1.2737 1.0654 -0.1886 0.0934  -0.1531 23  GLN A O   
363  C CB  . GLN A 23  ? 0.7058 1.2059 1.0657 -0.1070 0.0423  -0.1439 23  GLN A CB  
364  C CG  . GLN A 23  ? 0.7244 1.2377 1.1209 -0.0622 0.0368  -0.1482 23  GLN A CG  
365  C CD  . GLN A 23  ? 0.7608 1.2605 1.1630 -0.0473 0.0026  -0.1383 23  GLN A CD  
366  O OE1 . GLN A 23  ? 0.7336 1.2095 1.1353 -0.0150 -0.0068 -0.1382 23  GLN A OE1 
367  N NE2 . GLN A 23  ? 0.7221 1.2299 1.1222 -0.0730 -0.0168 -0.1297 23  GLN A NE2 
376  N N   . GLY A 24  ? 0.7326 1.1580 0.9677 -0.1986 0.0763  -0.1426 24  GLY A N   
377  C CA  . GLY A 24  ? 0.6521 1.0772 0.8589 -0.2483 0.0814  -0.1391 24  GLY A CA  
378  C C   . GLY A 24  ? 0.6768 1.0140 0.8028 -0.2671 0.0588  -0.1289 24  GLY A C   
379  O O   . GLY A 24  ? 0.6523 0.9513 0.7652 -0.2426 0.0347  -0.1233 24  GLY A O   
383  N N   . ASP A 25  ? 0.7177 1.0195 0.7862 -0.3103 0.0673  -0.1271 25  ASP A N   
384  C CA  . ASP A 25  ? 0.7312 0.9494 0.7221 -0.3298 0.0433  -0.1178 25  ASP A CA  
385  C C   . ASP A 25  ? 0.6932 0.9244 0.7083 -0.3223 0.0150  -0.1107 25  ASP A C   
386  O O   . ASP A 25  ? 0.6740 0.9817 0.7549 -0.3289 0.0127  -0.1106 25  ASP A O   
387  C CB  . ASP A 25  ? 0.7976 0.9915 0.7330 -0.3872 0.0537  -0.1155 25  ASP A CB  
388  C CG  . ASP A 25  ? 0.8347 0.9950 0.7236 -0.3996 0.0803  -0.1215 25  ASP A CG  
389  O OD1 . ASP A 25  ? 0.7890 0.9560 0.6987 -0.3631 0.0917  -0.1284 25  ASP A OD1 
390  O OD2 . ASP A 25  ? 0.8406 0.9600 0.6645 -0.4477 0.0879  -0.1188 25  ASP A OD2 
395  N N   . ASN A 26  ? 0.7427 0.8972 0.7024 -0.3088 -0.0072 -0.1053 26  ASN A N   
396  C CA  . ASN A 26  ? 0.7224 0.8745 0.6920 -0.2972 -0.0318 -0.0996 26  ASN A CA  
397  C C   . ASN A 26  ? 0.7668 0.8188 0.6514 -0.2955 -0.0487 -0.0953 26  ASN A C   
398  O O   . ASN A 26  ? 0.8591 0.8542 0.6973 -0.2865 -0.0444 -0.0973 26  ASN A O   
399  C CB  . ASN A 26  ? 0.6522 0.8431 0.6819 -0.2512 -0.0338 -0.1020 26  ASN A CB  
400  C CG  . ASN A 26  ? 0.5564 0.7888 0.6269 -0.2502 -0.0530 -0.0975 26  ASN A CG  
401  O OD1 . ASN A 26  ? 0.5582 0.7714 0.5995 -0.2780 -0.0702 -0.0916 26  ASN A OD1 
402  N ND2 . ASN A 26  ? 0.5496 0.8279 0.6788 -0.2170 -0.0537 -0.0997 26  ASN A ND2 
409  N N   . TYR A 27  ? 0.7698 0.8002 0.6370 -0.2981 -0.0690 -0.0903 27  TYR A N   
410  C CA  . TYR A 27  ? 0.8575 0.7944 0.6457 -0.2927 -0.0846 -0.0877 27  TYR A CA  
411  C C   . TYR A 27  ? 0.7995 0.7305 0.6046 -0.2512 -0.0908 -0.0882 27  TYR A C   
412  O O   . TYR A 27  ? 0.7631 0.7546 0.6307 -0.2350 -0.0896 -0.0882 27  TYR A O   
413  C CB  . TYR A 27  ? 0.8059 0.7084 0.5461 -0.3256 -0.0968 -0.0777 27  TYR A CB  
414  C CG  . TYR A 27  ? 0.8148 0.7742 0.6014 -0.3371 -0.1089 -0.0731 27  TYR A CG  
415  C CD1 . TYR A 27  ? 0.8114 0.8636 0.6722 -0.3548 -0.1017 -0.0737 27  TYR A CD1 
416  C CD2 . TYR A 27  ? 0.8447 0.7649 0.6020 -0.3272 -0.1271 -0.0684 27  TYR A CD2 
417  C CE1 . TYR A 27  ? 0.8262 0.9319 0.7352 -0.3603 -0.1163 -0.0688 27  TYR A CE1 
418  C CE2 . TYR A 27  ? 0.8302 0.7962 0.6259 -0.3363 -0.1418 -0.0635 27  TYR A CE2 
419  C CZ  . TYR A 27  ? 0.9147 0.9748 0.7888 -0.3525 -0.1388 -0.0632 27  TYR A CZ  
420  O OH  . TYR A 27  ? 0.9089 1.0171 0.8273 -0.3585 -0.1576 -0.0577 27  TYR A OH  
430  N N   . VAL A 28  ? 0.8486 0.7025 0.5938 -0.2338 -0.0972 -0.0890 28  VAL A N   
431  C CA  . VAL A 28  ? 0.8542 0.7021 0.6149 -0.1930 -0.0951 -0.0911 28  VAL A CA  
432  C C   . VAL A 28  ? 0.7556 0.6354 0.5424 -0.1940 -0.1034 -0.0876 28  VAL A C   
433  O O   . VAL A 28  ? 0.7272 0.6457 0.5618 -0.1691 -0.0979 -0.0882 28  VAL A O   
434  C CB  . VAL A 28  ? 1.0047 0.7656 0.6949 -0.1766 -0.0996 -0.0937 28  VAL A CB  
435  C CG1 . VAL A 28  ? 1.0877 0.8406 0.7841 -0.1451 -0.0958 -0.0958 28  VAL A CG1 
436  C CG2 . VAL A 28  ? 1.1558 0.8975 0.8413 -0.1599 -0.0938 -0.0975 28  VAL A CG2 
446  N N   . TYR A 29  ? 0.8511 0.7075 0.6002 -0.2238 -0.1196 -0.0833 29  TYR A N   
447  C CA  . TYR A 29  ? 0.8440 0.7212 0.6095 -0.2254 -0.1332 -0.0790 29  TYR A CA  
448  C C   . TYR A 29  ? 0.7267 0.6983 0.5785 -0.2278 -0.1345 -0.0771 29  TYR A C   
449  O O   . TYR A 29  ? 0.7001 0.6958 0.5840 -0.2069 -0.1389 -0.0758 29  TYR A O   
450  C CB  . TYR A 29  ? 0.8777 0.7016 0.5779 -0.2573 -0.1528 -0.0736 29  TYR A CB  
451  C CG  . TYR A 29  ? 1.0372 0.7682 0.6599 -0.2368 -0.1461 -0.0762 29  TYR A CG  
452  C CD1 . TYR A 29  ? 1.0875 0.7848 0.6886 -0.2079 -0.1419 -0.0819 29  TYR A CD1 
453  C CD2 . TYR A 29  ? 1.1264 0.8060 0.7013 -0.2425 -0.1413 -0.0731 29  TYR A CD2 
454  C CE1 . TYR A 29  ? 1.1807 0.8012 0.7190 -0.1855 -0.1323 -0.0867 29  TYR A CE1 
455  C CE2 . TYR A 29  ? 1.2215 0.8204 0.7331 -0.2175 -0.1359 -0.0757 29  TYR A CE2 
456  C CZ  . TYR A 29  ? 1.2032 0.7777 0.7018 -0.1874 -0.1300 -0.0836 29  TYR A CZ  
457  O OH  . TYR A 29  ? 1.2034 0.7062 0.6472 -0.1591 -0.1211 -0.0882 29  TYR A OH  
467  N N   . GLY A 30  ? 0.6809 0.7033 0.5691 -0.2502 -0.1284 -0.0779 30  GLY A N   
468  C CA  . GLY A 30  ? 0.6118 0.7257 0.5864 -0.2446 -0.1251 -0.0788 30  GLY A CA  
469  C C   . GLY A 30  ? 0.5861 0.7164 0.5968 -0.2020 -0.1105 -0.0833 30  GLY A C   
470  O O   . GLY A 30  ? 0.5438 0.7145 0.6015 -0.1830 -0.1170 -0.0825 30  GLY A O   
474  N N   . ILE A 31  ? 0.6309 0.7250 0.6162 -0.1872 -0.0937 -0.0876 31  ILE A N   
475  C CA  . ILE A 31  ? 0.5561 0.6622 0.5720 -0.1515 -0.0810 -0.0913 31  ILE A CA  
476  C C   . ILE A 31  ? 0.5864 0.6717 0.5956 -0.1293 -0.0894 -0.0883 31  ILE A C   
477  O O   . ILE A 31  ? 0.5764 0.6907 0.6246 -0.1074 -0.0875 -0.0887 31  ILE A O   
478  C CB  . ILE A 31  ? 0.6349 0.6997 0.6192 -0.1432 -0.0678 -0.0952 31  ILE A CB  
479  C CG1 . ILE A 31  ? 0.6141 0.6972 0.6009 -0.1664 -0.0578 -0.0981 31  ILE A CG1 
480  C CG2 . ILE A 31  ? 0.6290 0.7008 0.6406 -0.1096 -0.0590 -0.0977 31  ILE A CG2 
481  C CD1 . ILE A 31  ? 0.7510 0.7764 0.6852 -0.1699 -0.0542 -0.0996 31  ILE A CD1 
493  N N   . ILE A 32  ? 0.6145 0.6396 0.5654 -0.1331 -0.0959 -0.0862 32  ILE A N   
494  C CA  . ILE A 32  ? 0.6672 0.6638 0.6002 -0.1144 -0.0982 -0.0843 32  ILE A CA  
495  C C   . ILE A 32  ? 0.6544 0.6818 0.6124 -0.1190 -0.1165 -0.0790 32  ILE A C   
496  O O   . ILE A 32  ? 0.5298 0.5611 0.5011 -0.1005 -0.1177 -0.0772 32  ILE A O   
497  C CB  . ILE A 32  ? 0.7701 0.6929 0.6292 -0.1192 -0.0998 -0.0846 32  ILE A CB  
498  C CG1 . ILE A 32  ? 0.8263 0.7185 0.6676 -0.1032 -0.0835 -0.0905 32  ILE A CG1 
499  C CG2 . ILE A 32  ? 0.6742 0.5683 0.5071 -0.1100 -0.1034 -0.0820 32  ILE A CG2 
500  C CD1 . ILE A 32  ? 0.8682 0.6876 0.6374 -0.1064 -0.0855 -0.0928 32  ILE A CD1 
512  N N   . LYS A 33  ? 0.6314 0.6803 0.5954 -0.1453 -0.1335 -0.0759 33  LYS A N   
513  C CA  . LYS A 33  ? 0.5639 0.6455 0.5572 -0.1480 -0.1565 -0.0706 33  LYS A CA  
514  C C   . LYS A 33  ? 0.4998 0.6475 0.5672 -0.1263 -0.1527 -0.0729 33  LYS A C   
515  O O   . LYS A 33  ? 0.4585 0.6102 0.5387 -0.1104 -0.1672 -0.0695 33  LYS A O   
516  C CB  . LYS A 33  ? 0.6162 0.7137 0.6069 -0.1836 -0.1779 -0.0665 33  LYS A CB  
517  C CG  . LYS A 33  ? 0.7456 0.7760 0.6658 -0.1974 -0.2006 -0.0603 33  LYS A CG  
518  C CD  . LYS A 33  ? 0.8204 0.8632 0.7357 -0.2356 -0.2306 -0.0541 33  LYS A CD  
519  C CE  . LYS A 33  ? 0.8588 0.8148 0.6866 -0.2445 -0.2509 -0.0487 33  LYS A CE  
520  N NZ  . LYS A 33  ? 0.8448 0.7966 0.6597 -0.2705 -0.2691 -0.0397 33  LYS A NZ  
534  N N   . GLN A 34  ? 0.4968 0.6881 0.6050 -0.1250 -0.1338 -0.0791 34  GLN A N   
535  C CA  . GLN A 34  ? 0.4575 0.7082 0.6320 -0.1035 -0.1289 -0.0831 34  GLN A CA  
536  C C   . GLN A 34  ? 0.4807 0.7013 0.6455 -0.0730 -0.1215 -0.0836 34  GLN A C   
537  O O   . GLN A 34  ? 0.4371 0.6802 0.6350 -0.0521 -0.1299 -0.0836 34  GLN A O   
538  C CB  . GLN A 34  ? 0.4563 0.7484 0.6630 -0.1099 -0.1058 -0.0906 34  GLN A CB  
539  C CG  . GLN A 34  ? 0.4797 0.8306 0.7232 -0.1387 -0.1104 -0.0911 34  GLN A CG  
540  C CD  . GLN A 34  ? 0.4880 0.8837 0.7663 -0.1411 -0.0817 -0.1002 34  GLN A CD  
541  O OE1 . GLN A 34  ? 0.5824 0.9716 0.8665 -0.1153 -0.0642 -0.1061 34  GLN A OE1 
542  N NE2 . GLN A 34  ? 0.5720 1.0009 0.8601 -0.1758 -0.0756 -0.1010 34  GLN A NE2 
551  N N   . VAL A 35  ? 0.4778 0.6479 0.5985 -0.0704 -0.1065 -0.0844 35  VAL A N   
552  C CA  . VAL A 35  ? 0.5345 0.6780 0.6462 -0.0475 -0.0976 -0.0845 35  VAL A CA  
553  C C   . VAL A 35  ? 0.4798 0.5899 0.5628 -0.0429 -0.1130 -0.0779 35  VAL A C   
554  O O   . VAL A 35  ? 0.4910 0.5960 0.5812 -0.0261 -0.1148 -0.0763 35  VAL A O   
555  C CB  . VAL A 35  ? 0.4930 0.6012 0.5744 -0.0469 -0.0792 -0.0873 35  VAL A CB  
556  C CG1 . VAL A 35  ? 0.5816 0.6658 0.6548 -0.0292 -0.0706 -0.0862 35  VAL A CG1 
557  C CG2 . VAL A 35  ? 0.4519 0.5817 0.5538 -0.0485 -0.0659 -0.0931 35  VAL A CG2 
567  N N   . LYS A 36  ? 0.4397 0.5165 0.4793 -0.0596 -0.1245 -0.0738 36  LYS A N   
568  C CA  . LYS A 36  ? 0.5480 0.5855 0.5497 -0.0591 -0.1411 -0.0673 36  LYS A CA  
569  C C   . LYS A 36  ? 0.5420 0.6131 0.5814 -0.0512 -0.1675 -0.0633 36  LYS A C   
570  O O   . LYS A 36  ? 0.5242 0.5728 0.5520 -0.0372 -0.1754 -0.0596 36  LYS A O   
571  C CB  . LYS A 36  ? 0.6331 0.6263 0.5769 -0.0813 -0.1509 -0.0645 36  LYS A CB  
572  C CG  . LYS A 36  ? 0.7679 0.7033 0.6508 -0.0870 -0.1688 -0.0578 36  LYS A CG  
573  C CD  . LYS A 36  ? 0.8824 0.7660 0.6998 -0.1098 -0.1761 -0.0568 36  LYS A CD  
574  C CE  . LYS A 36  ? 1.0571 0.8780 0.8058 -0.1202 -0.1992 -0.0497 36  LYS A CE  
575  N NZ  . LYS A 36  ? 1.2683 1.0217 0.9363 -0.1420 -0.2033 -0.0501 36  LYS A NZ  
589  N N   . GLU A 37  ? 0.5177 0.6447 0.6051 -0.0591 -0.1810 -0.0645 37  GLU A N   
590  C CA  . GLU A 37  ? 0.4784 0.6466 0.6134 -0.0461 -0.2071 -0.0622 37  GLU A CA  
591  C C   . GLU A 37  ? 0.4691 0.6525 0.6369 -0.0158 -0.1956 -0.0666 37  GLU A C   
592  O O   . GLU A 37  ? 0.4719 0.6453 0.6428 0.0024  -0.2168 -0.0630 37  GLU A O   
593  C CB  . GLU A 37  ? 0.5334 0.7728 0.7265 -0.0606 -0.2188 -0.0641 37  GLU A CB  
594  C CG  . GLU A 37  ? 0.6656 0.8935 0.8343 -0.0880 -0.2499 -0.0564 37  GLU A CG  
595  C CD  . GLU A 37  ? 0.8116 1.1220 1.0490 -0.1058 -0.2624 -0.0577 37  GLU A CD  
596  O OE1 . GLU A 37  ? 0.7758 1.1565 1.0867 -0.0884 -0.2488 -0.0652 37  GLU A OE1 
597  O OE2 . GLU A 37  ? 0.9535 1.2581 1.1706 -0.1382 -0.2851 -0.0518 37  GLU A OE2 
604  N N   . ALA A 38  ? 0.3862 0.5906 0.5759 -0.0106 -0.1658 -0.0745 38  ALA A N   
605  C CA  . ALA A 38  ? 0.3881 0.6056 0.6067 0.0161  -0.1557 -0.0798 38  ALA A CA  
606  C C   . ALA A 38  ? 0.6188 0.7753 0.7911 0.0260  -0.1530 -0.0755 38  ALA A C   
607  O O   . ALA A 38  ? 0.6044 0.7554 0.7868 0.0471  -0.1530 -0.0775 38  ALA A O   
608  C CB  . ALA A 38  ? 0.4824 0.7289 0.7253 0.0149  -0.1264 -0.0888 38  ALA A CB  
614  N N   . SER A 39  ? 0.5821 0.6913 0.7017 0.0101  -0.1468 -0.0707 39  SER A N   
615  C CA  . SER A 39  ? 0.5627 0.6168 0.6364 0.0130  -0.1414 -0.0662 39  SER A CA  
616  C C   . SER A 39  ? 0.5944 0.6018 0.6191 0.0065  -0.1640 -0.0575 39  SER A C   
617  O O   . SER A 39  ? 0.6082 0.5637 0.5829 0.0017  -0.1554 -0.0534 39  SER A O   
618  C CB  . SER A 39  ? 0.5870 0.6226 0.6377 0.0020  -0.1135 -0.0685 39  SER A CB  
619  O OG  . SER A 39  ? 0.4827 0.4983 0.4996 -0.0142 -0.1139 -0.0669 39  SER A OG  
625  N N   . ASN A 40  ? 0.6316 0.6545 0.6656 0.0026  -0.1925 -0.0544 40  ASN A N   
626  C CA  . ASN A 40  ? 0.7745 0.7450 0.7529 -0.0065 -0.2192 -0.0454 40  ASN A CA  
627  C C   . ASN A 40  ? 0.7563 0.6646 0.6607 -0.0258 -0.2013 -0.0430 40  ASN A C   
628  O O   . ASN A 40  ? 0.8347 0.6807 0.6776 -0.0296 -0.2047 -0.0371 40  ASN A O   
629  C CB  . ASN A 40  ? 0.7952 0.7336 0.7583 0.0110  -0.2385 -0.0403 40  ASN A CB  
630  C CG  . ASN A 40  ? 0.8233 0.8133 0.8507 0.0343  -0.2635 -0.0426 40  ASN A CG  
631  O OD1 . ASN A 40  ? 0.7997 0.8180 0.8523 0.0336  -0.2952 -0.0400 40  ASN A OD1 
632  N ND2 . ASN A 40  ? 0.8115 0.8194 0.8712 0.0553  -0.2490 -0.0486 40  ASN A ND2 
639  N N   . GLY A 41  ? 0.6650 0.5864 0.5715 -0.0373 -0.1802 -0.0483 41  GLY A N   
640  C CA  . GLY A 41  ? 0.7638 0.6293 0.6036 -0.0514 -0.1631 -0.0483 41  GLY A CA  
641  C C   . GLY A 41  ? 0.7592 0.6075 0.5865 -0.0452 -0.1268 -0.0520 41  GLY A C   
642  O O   . GLY A 41  ? 0.8018 0.6114 0.5820 -0.0525 -0.1055 -0.0543 41  GLY A O   
646  N N   . GLU A 42  ? 0.7186 0.5959 0.5880 -0.0319 -0.1194 -0.0531 42  GLU A N   
647  C CA  . GLU A 42  ? 0.6964 0.5624 0.5595 -0.0297 -0.0891 -0.0552 42  GLU A CA  
648  C C   . GLU A 42  ? 0.7691 0.6689 0.6668 -0.0263 -0.0641 -0.0632 42  GLU A C   
649  O O   . GLU A 42  ? 0.7328 0.6290 0.6299 -0.0256 -0.0382 -0.0657 42  GLU A O   
650  C CB  . GLU A 42  ? 0.7146 0.5888 0.6008 -0.0198 -0.0952 -0.0524 42  GLU A CB  
651  C CG  . GLU A 42  ? 0.7254 0.5480 0.5623 -0.0224 -0.1175 -0.0437 42  GLU A CG  
652  C CD  . GLU A 42  ? 0.8154 0.6212 0.6487 -0.0189 -0.1120 -0.0409 42  GLU A CD  
653  O OE1 . GLU A 42  ? 0.7804 0.6221 0.6577 -0.0134 -0.0949 -0.0459 42  GLU A OE1 
654  O OE2 . GLU A 42  ? 0.8258 0.5751 0.6043 -0.0245 -0.1259 -0.0332 42  GLU A OE2 
661  N N   . MET A 43  ? 0.6637 0.5974 0.5933 -0.0251 -0.0725 -0.0670 43  MET A N   
662  C CA  . MET A 43  ? 0.7025 0.6572 0.6546 -0.0222 -0.0541 -0.0739 43  MET A CA  
663  C C   . MET A 43  ? 0.7232 0.6705 0.6564 -0.0322 -0.0635 -0.0756 43  MET A C   
664  O O   . MET A 43  ? 0.6845 0.6623 0.6445 -0.0372 -0.0799 -0.0753 43  MET A O   
665  C CB  . MET A 43  ? 0.5376 0.5358 0.5440 -0.0132 -0.0533 -0.0766 43  MET A CB  
666  C CG  . MET A 43  ? 0.6063 0.6208 0.6326 -0.0103 -0.0397 -0.0825 43  MET A CG  
667  S SD  . MET A 43  ? 0.6685 0.7206 0.7434 -0.0024 -0.0408 -0.0853 43  MET A SD  
668  C CE  . MET A 43  ? 0.7209 0.7767 0.8029 -0.0019 -0.0305 -0.0909 43  MET A CE  
678  N N   . GLU A 44  ? 0.7770 0.6810 0.6602 -0.0365 -0.0531 -0.0775 44  GLU A N   
679  C CA  . GLU A 44  ? 0.8003 0.6814 0.6509 -0.0475 -0.0609 -0.0796 44  GLU A CA  
680  C C   . GLU A 44  ? 0.8409 0.7154 0.6916 -0.0371 -0.0403 -0.0871 44  GLU A C   
681  O O   . GLU A 44  ? 0.8995 0.7466 0.7258 -0.0267 -0.0195 -0.0912 44  GLU A O   
682  C CB  . GLU A 44  ? 0.8814 0.7028 0.6607 -0.0590 -0.0683 -0.0768 44  GLU A CB  
683  C CG  . GLU A 44  ? 0.9641 0.7851 0.7381 -0.0688 -0.0958 -0.0682 44  GLU A CG  
684  C CD  . GLU A 44  ? 1.1008 0.8518 0.7939 -0.0806 -0.1042 -0.0644 44  GLU A CD  
685  O OE1 . GLU A 44  ? 1.2102 0.9106 0.8451 -0.0860 -0.0933 -0.0688 44  GLU A OE1 
686  O OE2 . GLU A 44  ? 1.0864 0.8280 0.7705 -0.0829 -0.1224 -0.0571 44  GLU A OE2 
693  N N   . LEU A 45  ? 0.9183 0.8184 0.7973 -0.0387 -0.0454 -0.0894 45  LEU A N   
694  C CA  . LEU A 45  ? 0.8939 0.7856 0.7741 -0.0267 -0.0324 -0.0958 45  LEU A CA  
695  C C   . LEU A 45  ? 1.1015 0.9366 0.9199 -0.0314 -0.0345 -0.0992 45  LEU A C   
696  O O   . LEU A 45  ? 0.9386 0.7497 0.7198 -0.0520 -0.0512 -0.0959 45  LEU A O   
697  C CB  . LEU A 45  ? 0.7546 0.6831 0.6760 -0.0287 -0.0384 -0.0964 45  LEU A CB  
698  C CG  . LEU A 45  ? 0.7959 0.7720 0.7722 -0.0221 -0.0360 -0.0949 45  LEU A CG  
699  C CD1 . LEU A 45  ? 0.7591 0.7611 0.7589 -0.0297 -0.0425 -0.0959 45  LEU A CD1 
700  C CD2 . LEU A 45  ? 0.8597 0.8400 0.8558 -0.0042 -0.0206 -0.0977 45  LEU A CD2 
712  N N   . ASN A 46  ? 1.0471 0.8599 0.8549 -0.0112 -0.0184 -0.1062 46  ASN A N   
713  C CA  . ASN A 46  ? 0.9881 0.7401 0.7361 -0.0073 -0.0188 -0.1117 46  ASN A CA  
714  C C   . ASN A 46  ? 1.0148 0.7622 0.7628 -0.0134 -0.0334 -0.1121 46  ASN A C   
715  O O   . ASN A 46  ? 0.9545 0.7435 0.7523 -0.0087 -0.0346 -0.1114 46  ASN A O   
716  C CB  . ASN A 46  ? 1.0683 0.8029 0.8120 0.0229  0.0056  -0.1206 46  ASN A CB  
717  C CG  . ASN A 46  ? 1.1864 0.8454 0.8555 0.0311  0.0074  -0.1278 46  ASN A CG  
718  O OD1 . ASN A 46  ? 1.2886 0.9234 0.9466 0.0447  0.0017  -0.1327 46  ASN A OD1 
719  N ND2 . ASN A 46  ? 1.3462 0.9586 0.9555 0.0228  0.0129  -0.1283 46  ASN A ND2 
726  N N   . GLU A 47  ? 0.8481 0.8813 0.9954 -0.0202 0.1856  -0.1890 47  GLU A N   
727  C CA  . GLU A 47  ? 0.8354 0.8499 1.0115 0.0134  0.1636  -0.1765 47  GLU A CA  
728  C C   . GLU A 47  ? 0.8663 0.8887 1.1175 0.0436  0.1546  -0.1821 47  GLU A C   
729  O O   . GLU A 47  ? 0.8817 0.8945 1.1416 0.0667  0.1242  -0.1574 47  GLU A O   
730  C CB  . GLU A 47  ? 0.8882 0.8814 1.0623 0.0072  0.1779  -0.1948 47  GLU A CB  
731  C CG  . GLU A 47  ? 0.9579 0.9440 1.0609 -0.0250 0.1819  -0.1892 47  GLU A CG  
732  C CD  . GLU A 47  ? 0.9799 0.9698 1.0657 -0.0606 0.2202  -0.2292 47  GLU A CD  
733  O OE1 . GLU A 47  ? 1.0356 1.0481 1.1318 -0.0760 0.2442  -0.2507 47  GLU A OE1 
734  O OE2 . GLU A 47  ? 0.9162 0.8871 0.9765 -0.0770 0.2282  -0.2418 47  GLU A OE2 
741  N N   . ALA A 48  ? 0.7607 0.8034 1.0676 0.0404  0.1806  -0.2153 48  ALA A N   
742  C CA  . ALA A 48  ? 0.8617 0.9162 1.2585 0.0693  0.1694  -0.2229 48  ALA A CA  
743  C C   . ALA A 48  ? 0.8660 0.9358 1.2632 0.0787  0.1405  -0.1967 48  ALA A C   
744  O O   . ALA A 48  ? 0.8876 0.9538 1.3271 0.1039  0.1086  -0.1809 48  ALA A O   
745  C CB  . ALA A 48  ? 0.6992 0.7821 1.1643 0.0602  0.2107  -0.2712 48  ALA A CB  
751  N N   . THR A 49  ? 1.0188 1.1027 1.3689 0.0550  0.1490  -0.1918 49  THR A N   
752  C CA  . THR A 49  ? 0.9342 1.0239 1.2745 0.0605  0.1220  -0.1687 49  THR A CA  
753  C C   . THR A 49  ? 0.9587 1.0231 1.2674 0.0799  0.0879  -0.1397 49  THR A C   
754  O O   . THR A 49  ? 0.8461 0.9122 1.1785 0.0963  0.0606  -0.1281 49  THR A O   
755  C CB  . THR A 49  ? 0.9781 1.0710 1.2624 0.0302  0.1324  -0.1622 49  THR A CB  
756  O OG1 . THR A 49  ? 0.7946 0.9124 1.0959 0.0025  0.1686  -0.1897 49  THR A OG1 
757  C CG2 . THR A 49  ? 1.0340 1.1285 1.3168 0.0350  0.1072  -0.1447 49  THR A CG2 
765  N N   . LEU A 50  ? 0.9523 0.9962 1.2058 0.0737  0.0898  -0.1289 50  LEU A N   
766  C CA  . LEU A 50  ? 0.8926 0.9188 1.1138 0.0859  0.0656  -0.1057 50  LEU A CA  
767  C C   . LEU A 50  ? 0.8798 0.8944 1.1337 0.1040  0.0468  -0.0991 50  LEU A C   
768  O O   . LEU A 50  ? 0.8632 0.8713 1.1003 0.1111  0.0214  -0.0805 50  LEU A O   
769  C CB  . LEU A 50  ? 0.7978 0.8113 0.9700 0.0742  0.0737  -0.0989 50  LEU A CB  
770  C CG  . LEU A 50  ? 0.7971 0.8136 0.9318 0.0660  0.0677  -0.0865 50  LEU A CG  
771  C CD1 . LEU A 50  ? 0.7931 0.8177 0.9229 0.0459  0.0790  -0.0923 50  LEU A CD1 
772  C CD2 . LEU A 50  ? 0.7606 0.7706 0.8629 0.0601  0.0669  -0.0761 50  LEU A CD2 
784  N N   . TYR A 51  ? 0.8257 0.8343 1.1248 0.1089  0.0577  -0.1140 51  TYR A N   
785  C CA  . TYR A 51  ? 0.8761 0.8647 1.2098 0.1259  0.0314  -0.1004 51  TYR A CA  
786  C C   . TYR A 51  ? 0.8526 0.8565 1.2366 0.1392  0.0033  -0.0931 51  TYR A C   
787  O O   . TYR A 51  ? 0.8627 0.8527 1.2335 0.1441  -0.0324 -0.0660 51  TYR A O   
788  C CB  . TYR A 51  ? 0.9647 0.9376 1.3515 0.1318  0.0465  -0.1206 51  TYR A CB  
789  C CG  . TYR A 51  ? 1.1363 1.0749 1.5483 0.1463  0.0118  -0.0964 51  TYR A CG  
790  C CD1 . TYR A 51  ? 1.2580 1.1711 1.5997 0.1367  -0.0065 -0.0649 51  TYR A CD1 
791  C CD2 . TYR A 51  ? 1.0811 1.0131 1.5905 0.1672  -0.0044 -0.1033 51  TYR A CD2 
792  C CE1 . TYR A 51  ? 1.3589 1.2356 1.7109 0.1415  -0.0403 -0.0368 51  TYR A CE1 
793  C CE2 . TYR A 51  ? 1.1093 1.0012 1.6402 0.1776  -0.0447 -0.0729 51  TYR A CE2 
794  C CZ  . TYR A 51  ? 1.2673 1.1291 1.7110 0.1618  -0.0631 -0.0372 51  TYR A CZ  
795  O OH  . TYR A 51  ? 1.2312 1.0490 1.6820 0.1635  -0.1048 -0.0010 51  TYR A OH  
805  N N   . THR A 52  ? 0.9244 0.9591 1.3652 0.1404  0.0180  -0.1166 52  THR A N   
806  C CA  . THR A 52  ? 0.9391 0.9944 1.4300 0.1499  -0.0115 -0.1091 52  THR A CA  
807  C C   . THR A 52  ? 0.9571 1.0092 1.3768 0.1407  -0.0355 -0.0859 52  THR A C   
808  O O   . THR A 52  ? 0.8397 0.8883 1.2641 0.1450  -0.0749 -0.0650 52  THR A O   
809  C CB  . THR A 52  ? 0.8643 0.9604 1.4229 0.1462  0.0143  -0.1405 52  THR A CB  
810  O OG1 . THR A 52  ? 0.7522 0.8536 1.3867 0.1552  0.0393  -0.1696 52  THR A OG1 
811  C CG2 . THR A 52  ? 0.8534 0.9742 1.4680 0.1541  -0.0199 -0.1317 52  THR A CG2 
819  N N   . ILE A 53  ? 0.9371 0.9891 1.2920 0.1261  -0.0139 -0.0901 53  ILE A N   
820  C CA  . ILE A 53  ? 0.8463 0.8945 1.1444 0.1187  -0.0308 -0.0775 53  ILE A CA  
821  C C   . ILE A 53  ? 0.8690 0.8941 1.1188 0.1190  -0.0521 -0.0557 53  ILE A C   
822  O O   . ILE A 53  ? 0.8225 0.8458 1.0489 0.1141  -0.0800 -0.0432 53  ILE A O   
823  C CB  . ILE A 53  ? 0.8785 0.9264 1.1330 0.1065  -0.0062 -0.0861 53  ILE A CB  
824  C CG1 . ILE A 53  ? 0.6845 0.7532 0.9757 0.0971  0.0099  -0.1021 53  ILE A CG1 
825  C CG2 . ILE A 53  ? 0.9363 0.9756 1.1398 0.1022  -0.0193 -0.0798 53  ILE A CG2 
826  C CD1 . ILE A 53  ? 0.8718 0.9364 1.1337 0.0819  0.0356  -0.1070 53  ILE A CD1 
838  N N   . PHE A 54  ? 0.8414 0.8494 1.0702 0.1189  -0.0385 -0.0513 54  PHE A N   
839  C CA  . PHE A 54  ? 0.9520 0.9395 1.1297 0.1125  -0.0530 -0.0305 54  PHE A CA  
840  C C   . PHE A 54  ? 0.9733 0.9469 1.1723 0.1154  -0.0918 -0.0077 54  PHE A C   
841  O O   . PHE A 54  ? 0.9174 0.8802 1.0632 0.1015  -0.1148 0.0130  54  PHE A O   
842  C CB  . PHE A 54  ? 0.9019 0.8757 1.0676 0.1103  -0.0305 -0.0320 54  PHE A CB  
843  C CG  . PHE A 54  ? 0.8538 0.8391 0.9853 0.1026  -0.0036 -0.0440 54  PHE A CG  
844  C CD1 . PHE A 54  ? 0.8421 0.8408 0.9483 0.0991  -0.0026 -0.0491 54  PHE A CD1 
845  C CD2 . PHE A 54  ? 0.8181 0.7995 0.9497 0.0982  0.0174  -0.0510 54  PHE A CD2 
846  C CE1 . PHE A 54  ? 0.7513 0.7579 0.8429 0.0954  0.0149  -0.0571 54  PHE A CE1 
847  C CE2 . PHE A 54  ? 0.7786 0.7708 0.8862 0.0904  0.0327  -0.0562 54  PHE A CE2 
848  C CZ  . PHE A 54  ? 0.7312 0.7356 0.8243 0.0910  0.0298  -0.0577 54  PHE A CZ  
858  N N   . LYS A 55  ? 0.9071 0.8827 1.1868 0.1311  -0.1004 -0.0121 55  LYS A N   
859  C CA  . LYS A 55  ? 0.8768 0.8400 1.2017 0.1382  -0.1461 0.0120  55  LYS A CA  
860  C C   . LYS A 55  ? 0.7835 0.7625 1.0885 0.1282  -0.1800 0.0244  55  LYS A C   
861  O O   . LYS A 55  ? 0.7220 0.6831 0.9776 0.1127  -0.2177 0.0551  55  LYS A O   
862  C CB  . LYS A 55  ? 0.8661 0.8395 1.3052 0.1608  -0.1406 -0.0075 55  LYS A CB  
863  C CG  . LYS A 55  ? 1.0257 0.9737 1.4988 0.1702  -0.1179 -0.0194 55  LYS A CG  
864  C CD  . LYS A 55  ? 1.0561 1.0135 1.6611 0.1943  -0.1132 -0.0454 55  LYS A CD  
865  C CE  . LYS A 55  ? 0.9442 0.9454 1.5856 0.1929  -0.0615 -0.0929 55  LYS A CE  
866  N NZ  . LYS A 55  ? 1.0589 1.0741 1.7921 0.1999  -0.0391 -0.1260 55  LYS A NZ  
880  N N   . ARG A 56  ? 0.8517 0.8631 1.1840 0.1305  -0.1660 0.0006  56  ARG A N   
881  C CA  . ARG A 56  ? 0.8464 0.8724 1.1595 0.1179  -0.1972 0.0078  56  ARG A CA  
882  C C   . ARG A 56  ? 0.8672 0.8780 1.0688 0.0936  -0.1986 0.0160  56  ARG A C   
883  O O   . ARG A 56  ? 0.8510 0.8565 1.0111 0.0750  -0.2371 0.0358  56  ARG A O   
884  C CB  . ARG A 56  ? 0.8869 0.9461 1.2408 0.1199  -0.1753 -0.0215 56  ARG A CB  
885  C CG  . ARG A 56  ? 0.8029 0.8924 1.2755 0.1364  -0.1771 -0.0344 56  ARG A CG  
886  C CD  . ARG A 56  ? 0.9024 1.0216 1.3863 0.1268  -0.1475 -0.0624 56  ARG A CD  
887  N NE  . ARG A 56  ? 0.8941 1.0181 1.3380 0.1098  -0.1732 -0.0575 56  ARG A NE  
888  C CZ  . ARG A 56  ? 0.8846 1.0148 1.3016 0.0959  -0.1528 -0.0753 56  ARG A CZ  
889  N NH1 . ARG A 56  ? 0.9234 1.0562 1.3435 0.0945  -0.1103 -0.0930 56  ARG A NH1 
890  N NH2 . ARG A 56  ? 0.8191 0.9486 1.2013 0.0795  -0.1779 -0.0742 56  ARG A NH2 
904  N N   . LEU A 57  ? 0.8806 0.8869 1.0350 0.0910  -0.1567 -0.0007 57  LEU A N   
905  C CA  . LEU A 57  ? 0.9967 0.9980 1.0628 0.0702  -0.1471 -0.0055 57  LEU A CA  
906  C C   . LEU A 57  ? 1.0028 0.9831 1.0068 0.0508  -0.1666 0.0223  57  LEU A C   
907  O O   . LEU A 57  ? 1.0036 0.9827 0.9341 0.0243  -0.1756 0.0241  57  LEU A O   
908  C CB  . LEU A 57  ? 1.0505 1.0562 1.1050 0.0760  -0.1011 -0.0294 57  LEU A CB  
909  C CG  . LEU A 57  ? 1.0763 1.0959 1.1620 0.0833  -0.0827 -0.0541 57  LEU A CG  
910  C CD1 . LEU A 57  ? 1.1253 1.1447 1.2143 0.0901  -0.0487 -0.0664 57  LEU A CD1 
911  C CD2 . LEU A 57  ? 0.8646 0.8865 0.9118 0.0685  -0.0911 -0.0683 57  LEU A CD2 
923  N N   . GLU A 58  ? 0.9382 0.8999 0.9661 0.0593  -0.1703 0.0420  58  GLU A N   
924  C CA  . GLU A 58  ? 0.9478 0.8827 0.9232 0.0379  -0.1959 0.0765  58  GLU A CA  
925  C C   . GLU A 58  ? 0.9471 0.8717 0.9259 0.0265  -0.2553 0.1085  58  GLU A C   
926  O O   . GLU A 58  ? 1.0274 0.9335 0.9301 -0.0061 -0.2831 0.1381  58  GLU A O   
927  C CB  . GLU A 58  ? 0.9185 0.8309 0.9323 0.0518  -0.1860 0.0866  58  GLU A CB  
928  C CG  . GLU A 58  ? 0.9101 0.7920 0.8625 0.0265  -0.1959 0.1175  58  GLU A CG  
929  C CD  . GLU A 58  ? 0.9311 0.8016 0.9045 0.0362  -0.1616 0.1080  58  GLU A CD  
930  O OE1 . GLU A 58  ? 0.9787 0.8648 1.0068 0.0602  -0.1315 0.0781  58  GLU A OE1 
931  O OE2 . GLU A 58  ? 1.0256 0.8726 0.9521 0.0136  -0.1638 0.1305  58  GLU A OE2 
938  N N   . LYS A 59  ? 1.0492 0.9886 1.1153 0.0491  -0.2762 0.1038  59  LYS A N   
939  C CA  . LYS A 59  ? 1.1274 1.0644 1.2111 0.0395  -0.3391 0.1343  59  LYS A CA  
940  C C   . LYS A 59  ? 1.2415 1.1951 1.2478 0.0086  -0.3501 0.1263  59  LYS A C   
941  O O   . LYS A 59  ? 1.3085 1.2525 1.2764 -0.0181 -0.4045 0.1588  59  LYS A O   
942  C CB  . LYS A 59  ? 1.1677 1.1250 1.3863 0.0741  -0.3530 0.1255  59  LYS A CB  
943  C CG  . LYS A 59  ? 1.2331 1.1878 1.5163 0.0755  -0.4256 0.1622  59  LYS A CG  
944  C CD  . LYS A 59  ? 1.3007 1.2915 1.7332 0.1116  -0.4224 0.1376  59  LYS A CD  
945  C CE  . LYS A 59  ? 1.2887 1.3238 1.7238 0.1070  -0.3966 0.1013  59  LYS A CE  
946  N NZ  . LYS A 59  ? 1.4358 1.5119 2.0132 0.1340  -0.3920 0.0780  59  LYS A NZ  
960  N N   . ASP A 60  ? 1.1750 1.1489 1.1535 0.0083  -0.3024 0.0845  60  ASP A N   
961  C CA  . ASP A 60  ? 1.1160 1.1015 1.0251 -0.0210 -0.3078 0.0681  60  ASP A CA  
962  C C   . ASP A 60  ? 1.1605 1.1360 0.9545 -0.0543 -0.2812 0.0591  60  ASP A C   
963  O O   . ASP A 60  ? 1.2242 1.2096 0.9597 -0.0772 -0.2672 0.0299  60  ASP A O   
964  C CB  . ASP A 60  ? 1.1726 1.1821 1.1287 -0.0039 -0.2772 0.0268  60  ASP A CB  
965  C CG  . ASP A 60  ? 1.1723 1.2015 1.2202 0.0101  -0.3124 0.0336  60  ASP A CG  
966  O OD1 . ASP A 60  ? 1.1025 1.1308 1.1550 -0.0039 -0.3699 0.0652  60  ASP A OD1 
967  O OD2 . ASP A 60  ? 1.1267 1.1740 1.2452 0.0325  -0.2845 0.0093  60  ASP A OD2 
972  N N   . GLY A 61  ? 1.1732 1.1315 0.9415 -0.0573 -0.2678 0.0772  61  GLY A N   
973  C CA  . GLY A 61  ? 1.1613 1.1165 0.8291 -0.0914 -0.2379 0.0686  61  GLY A CA  
974  C C   . GLY A 61  ? 1.1141 1.0897 0.7843 -0.0790 -0.1739 0.0193  61  GLY A C   
975  O O   . GLY A 61  ? 1.1195 1.1014 0.7216 -0.1051 -0.1417 0.0038  61  GLY A O   
979  N N   . ILE A 62  ? 1.2211 1.2081 0.9714 -0.0422 -0.1556 -0.0047 62  ILE A N   
980  C CA  . ILE A 62  ? 1.2903 1.2924 1.0522 -0.0296 -0.1051 -0.0465 62  ILE A CA  
981  C C   . ILE A 62  ? 1.1916 1.1950 0.9617 -0.0206 -0.0738 -0.0431 62  ILE A C   
982  O O   . ILE A 62  ? 1.1713 1.1893 0.9202 -0.0274 -0.0361 -0.0704 62  ILE A O   
983  C CB  . ILE A 62  ? 1.2508 1.2592 1.0893 0.0001  -0.1028 -0.0641 62  ILE A CB  
984  C CG1 . ILE A 62  ? 1.0274 1.0367 0.8673 -0.0108 -0.1406 -0.0615 62  ILE A CG1 
985  C CG2 . ILE A 62  ? 1.1122 1.1291 0.9615 0.0096  -0.0614 -0.1030 62  ILE A CG2 
986  C CD1 . ILE A 62  ? 0.9767 0.9871 0.7425 -0.0439 -0.1414 -0.0852 62  ILE A CD1 
998  N N   . ILE A 63  ? 0.9406 0.9300 0.7464 -0.0068 -0.0891 -0.0124 63  ILE A N   
999  C CA  . ILE A 63  ? 0.9383 0.9266 0.7641 0.0037  -0.0635 -0.0091 63  ILE A CA  
1000 C C   . ILE A 63  ? 0.9106 0.8762 0.7005 -0.0165 -0.0839 0.0282  63  ILE A C   
1001 O O   . ILE A 63  ? 0.9160 0.8619 0.6869 -0.0298 -0.1257 0.0581  63  ILE A O   
1002 C CB  . ILE A 63  ? 0.8868 0.8745 0.7934 0.0373  -0.0586 -0.0135 63  ILE A CB  
1003 C CG1 . ILE A 63  ? 0.8996 0.9054 0.8328 0.0510  -0.0346 -0.0457 63  ILE A CG1 
1004 C CG2 . ILE A 63  ? 0.8522 0.8322 0.7781 0.0440  -0.0436 -0.0045 63  ILE A CG2 
1005 C CD1 . ILE A 63  ? 0.9131 0.9346 0.8211 0.0433  -0.0028 -0.0678 63  ILE A CD1 
1017 N N   . SER A 64  ? 0.8801 0.8478 0.6599 -0.0225 -0.0573 0.0284  64  SER A N   
1018 C CA  . SER A 64  ? 0.8735 0.8148 0.6290 -0.0408 -0.0720 0.0633  64  SER A CA  
1019 C C   . SER A 64  ? 0.8483 0.7853 0.6581 -0.0197 -0.0526 0.0594  64  SER A C   
1020 O O   . SER A 64  ? 0.8600 0.8213 0.7050 -0.0010 -0.0236 0.0306  64  SER A O   
1021 C CB  . SER A 64  ? 0.9417 0.8932 0.6126 -0.0842 -0.0547 0.0658  64  SER A CB  
1022 O OG  . SER A 64  ? 0.9775 0.9633 0.6637 -0.0797 -0.0064 0.0326  64  SER A OG  
1028 N N   . SER A 65  ? 0.9457 0.8481 0.7604 -0.0259 -0.0717 0.0894  65  SER A N   
1029 C CA  . SER A 65  ? 0.8679 0.7622 0.7235 -0.0138 -0.0532 0.0838  65  SER A CA  
1030 C C   . SER A 65  ? 0.8226 0.6931 0.6366 -0.0450 -0.0561 0.1106  65  SER A C   
1031 O O   . SER A 65  ? 0.9187 0.7648 0.6824 -0.0725 -0.0834 0.1432  65  SER A O   
1032 C CB  . SER A 65  ? 0.8034 0.6731 0.7337 0.0163  -0.0691 0.0833  65  SER A CB  
1033 O OG  . SER A 65  ? 0.8809 0.7094 0.8216 0.0133  -0.1115 0.1168  65  SER A OG  
1039 N N   . TYR A 66  ? 0.8196 0.6962 0.6516 -0.0449 -0.0301 0.0990  66  TYR A N   
1040 C CA  . TYR A 66  ? 0.8205 0.6734 0.6226 -0.0752 -0.0305 0.1222  66  TYR A CA  
1041 C C   . TYR A 66  ? 0.8400 0.6928 0.6875 -0.0636 -0.0102 0.1044  66  TYR A C   
1042 O O   . TYR A 66  ? 0.7528 0.6311 0.6404 -0.0387 0.0065  0.0754  66  TYR A O   
1043 C CB  . TYR A 66  ? 0.8497 0.7359 0.5837 -0.1139 -0.0088 0.1231  66  TYR A CB  
1044 C CG  . TYR A 66  ? 0.9173 0.8630 0.6731 -0.1033 0.0319  0.0829  66  TYR A CG  
1045 C CD1 . TYR A 66  ? 0.8894 0.8655 0.6520 -0.0856 0.0403  0.0574  66  TYR A CD1 
1046 C CD2 . TYR A 66  ? 0.8664 0.8364 0.6427 -0.1114 0.0582  0.0713  66  TYR A CD2 
1047 C CE1 . TYR A 66  ? 0.8510 0.8759 0.6459 -0.0730 0.0723  0.0222  66  TYR A CE1 
1048 C CE2 . TYR A 66  ? 0.8750 0.9007 0.6858 -0.0991 0.0883  0.0374  66  TYR A CE2 
1049 C CZ  . TYR A 66  ? 0.8628 0.9126 0.6850 -0.0781 0.0940  0.0136  66  TYR A CZ  
1050 O OH  . TYR A 66  ? 0.7902 0.8868 0.6568 -0.0625 0.1174  -0.0176 66  TYR A OH  
1060 N N   . TRP A 67  ? 0.8570 0.6788 0.6921 -0.0873 -0.0139 0.1235  67  TRP A N   
1061 C CA  . TRP A 67  ? 0.9141 0.7342 0.7824 -0.0849 0.0039  0.1065  67  TRP A CA  
1062 C C   . TRP A 67  ? 0.8456 0.7158 0.6898 -0.1102 0.0337  0.0969  67  TRP A C   
1063 O O   . TRP A 67  ? 0.8927 0.7705 0.6903 -0.1436 0.0375  0.1148  67  TRP A O   
1064 C CB  . TRP A 67  ? 0.9596 0.7140 0.8383 -0.0963 -0.0171 0.1283  67  TRP A CB  
1065 C CG  . TRP A 67  ? 0.9289 0.6379 0.8524 -0.0682 -0.0466 0.1344  67  TRP A CG  
1066 C CD1 . TRP A 67  ? 0.9513 0.6181 0.8678 -0.0718 -0.0863 0.1708  67  TRP A CD1 
1067 C CD2 . TRP A 67  ? 0.9019 0.6093 0.8901 -0.0334 -0.0396 0.1020  67  TRP A CD2 
1068 N NE1 . TRP A 67  ? 1.0216 0.6612 1.0102 -0.0365 -0.1058 0.1619  67  TRP A NE1 
1069 C CE2 . TRP A 67  ? 0.9770 0.6434 1.0093 -0.0134 -0.0731 0.1165  67  TRP A CE2 
1070 C CE3 . TRP A 67  ? 0.8807 0.6180 0.8928 -0.0216 -0.0092 0.0631  67  TRP A CE3 
1071 C CZ2 . TRP A 67  ? 1.0171 0.6787 1.1252 0.0200  -0.0696 0.0864  67  TRP A CZ2 
1072 C CZ3 . TRP A 67  ? 0.9318 0.6594 1.0015 0.0051  -0.0056 0.0361  67  TRP A CZ3 
1073 C CH2 . TRP A 67  ? 0.9007 0.5939 1.0218 0.0266  -0.0316 0.0443  67  TRP A CH2 
1084 N N   . GLY A 68  ? 0.7806 0.6880 0.6583 -0.0973 0.0538  0.0693  68  GLY A N   
1085 C CA  . GLY A 68  ? 0.8264 0.7928 0.7015 -0.1147 0.0791  0.0576  68  GLY A CA  
1086 C C   . GLY A 68  ? 0.8376 0.8104 0.7315 -0.1323 0.0869  0.0537  68  GLY A C   
1087 O O   . GLY A 68  ? 0.8404 0.8514 0.7317 -0.1586 0.1031  0.0537  68  GLY A O   
1091 N N   . ASP A 69  ? 0.8698 0.8092 0.7851 -0.1198 0.0771  0.0465  69  ASP A N   
1092 C CA  . ASP A 69  ? 0.8103 0.7441 0.7369 -0.1389 0.0799  0.0407  69  ASP A CA  
1093 C C   . ASP A 69  ? 0.7660 0.6251 0.6868 -0.1423 0.0654  0.0495  69  ASP A C   
1094 O O   . ASP A 69  ? 0.8827 0.7098 0.8185 -0.1156 0.0559  0.0434  69  ASP A O   
1095 C CB  . ASP A 69  ? 0.8257 0.7858 0.7792 -0.1240 0.0823  0.0184  69  ASP A CB  
1096 C CG  . ASP A 69  ? 0.8486 0.8761 0.8234 -0.1171 0.0900  0.0120  69  ASP A CG  
1097 O OD1 . ASP A 69  ? 0.9790 1.0479 0.9620 -0.1365 0.1001  0.0158  69  ASP A OD1 
1098 O OD2 . ASP A 69  ? 0.7553 0.7951 0.7454 -0.0928 0.0864  0.0018  69  ASP A OD2 
1103 N N   . GLU A 70  ? 0.7917 0.6225 0.6975 -0.1746 0.0627  0.0645  70  GLU A N   
1104 C CA  . GLU A 70  ? 0.8255 0.5767 0.7332 -0.1771 0.0445  0.0768  70  GLU A CA  
1105 C C   . GLU A 70  ? 0.8752 0.5992 0.7752 -0.2151 0.0456  0.0819  70  GLU A C   
1106 O O   . GLU A 70  ? 0.9079 0.6456 0.7795 -0.2502 0.0482  0.1052  70  GLU A O   
1107 C CB  . GLU A 70  ? 0.8662 0.5877 0.7514 -0.1768 0.0247  0.1102  70  GLU A CB  
1108 C CG  . GLU A 70  ? 0.9372 0.5714 0.8362 -0.1785 -0.0031 0.1301  70  GLU A CG  
1109 C CD  . GLU A 70  ? 1.0375 0.6448 0.9259 -0.1672 -0.0327 0.1621  70  GLU A CD  
1110 O OE1 . GLU A 70  ? 1.0948 0.7515 0.9480 -0.1689 -0.0273 0.1695  70  GLU A OE1 
1111 O OE2 . GLU A 70  ? 1.0500 0.5868 0.9689 -0.1577 -0.0630 0.1789  70  GLU A OE2 
1118 N N   . SER A 71  ? 0.8886 0.5732 0.8123 -0.2118 0.0456  0.0578  71  SER A N   
1119 C CA  . SER A 71  ? 1.0770 0.7222 0.9965 -0.2477 0.0445  0.0575  71  SER A CA  
1120 C C   . SER A 71  ? 1.2857 0.8511 1.2380 -0.2336 0.0371  0.0360  71  SER A C   
1121 O O   . SER A 71  ? 1.1390 0.6909 1.1215 -0.1964 0.0356  0.0200  71  SER A O   
1122 C CB  . SER A 71  ? 1.1334 0.8360 1.0493 -0.2697 0.0602  0.0355  71  SER A CB  
1123 O OG  . SER A 71  ? 1.0156 0.7269 0.9466 -0.2468 0.0676  0.0000  71  SER A OG  
1129 N N   . GLN A 72  ? 1.2745 0.7900 1.2276 -0.2646 0.0354  0.0298  72  GLN A N   
1130 C CA  . GLN A 72  ? 1.3267 0.7628 1.3197 -0.2540 0.0328  0.0006  72  GLN A CA  
1131 C C   . GLN A 72  ? 1.2460 0.7053 1.2572 -0.2342 0.0566  -0.0543 72  GLN A C   
1132 O O   . GLN A 72  ? 1.2171 0.6234 1.2738 -0.2134 0.0613  -0.0866 72  GLN A O   
1133 C CB  . GLN A 72  ? 1.4579 0.8385 1.4424 -0.2982 0.0279  0.0030  72  GLN A CB  
1134 C CG  . GLN A 72  ? 1.5376 0.8542 1.5159 -0.3180 -0.0012 0.0563  72  GLN A CG  
1135 C CD  . GLN A 72  ? 1.5911 0.9659 1.5170 -0.3451 -0.0048 0.1045  72  GLN A CD  
1136 O OE1 . GLN A 72  ? 1.4410 0.9070 1.3468 -0.3410 0.0136  0.0985  72  GLN A OE1 
1137 N NE2 . GLN A 72  ? 1.6711 0.9902 1.5770 -0.3751 -0.0282 0.1515  72  GLN A NE2 
1146 N N   . GLY A 73  ? 1.1699 0.7075 1.1509 -0.2401 0.0710  -0.0649 73  GLY A N   
1147 C CA  . GLY A 73  ? 1.0950 0.6569 1.0768 -0.2318 0.0912  -0.1098 73  GLY A CA  
1148 C C   . GLY A 73  ? 0.9503 0.5570 0.9423 -0.1944 0.0953  -0.1092 73  GLY A C   
1149 O O   . GLY A 73  ? 0.8934 0.5313 0.8751 -0.1935 0.1114  -0.1393 73  GLY A O   
1153 N N   . GLY A 74  ? 0.9885 0.5981 0.9944 -0.1686 0.0800  -0.0749 74  GLY A N   
1154 C CA  . GLY A 74  ? 0.8383 0.4834 0.8581 -0.1343 0.0829  -0.0776 74  GLY A CA  
1155 C C   . GLY A 74  ? 0.8449 0.5285 0.8491 -0.1234 0.0687  -0.0379 74  GLY A C   
1156 O O   . GLY A 74  ? 0.8620 0.5603 0.8394 -0.1464 0.0625  -0.0112 74  GLY A O   
1160 N N   . ARG A 75  ? 0.7614 0.4642 0.7823 -0.0919 0.0663  -0.0370 75  ARG A N   
1161 C CA  . ARG A 75  ? 0.7801 0.5211 0.7808 -0.0849 0.0564  -0.0068 75  ARG A CA  
1162 C C   . ARG A 75  ? 0.7536 0.5353 0.7645 -0.0588 0.0624  -0.0195 75  ARG A C   
1163 O O   . ARG A 75  ? 0.6967 0.4755 0.7300 -0.0471 0.0733  -0.0478 75  ARG A O   
1164 C CB  . ARG A 75  ? 0.8822 0.5814 0.8850 -0.0816 0.0328  0.0259  75  ARG A CB  
1165 C CG  . ARG A 75  ? 0.9955 0.6455 1.0515 -0.0534 0.0188  0.0179  75  ARG A CG  
1166 C CD  . ARG A 75  ? 1.0246 0.6247 1.0771 -0.0599 -0.0151 0.0612  75  ARG A CD  
1167 N NE  . ARG A 75  ? 1.0560 0.6251 1.1616 -0.0293 -0.0409 0.0683  75  ARG A NE  
1168 C CZ  . ARG A 75  ? 1.1536 0.6864 1.2542 -0.0327 -0.0801 0.1128  75  ARG A CZ  
1169 N NH1 . ARG A 75  ? 1.1013 0.6225 1.1366 -0.0693 -0.0931 0.1528  75  ARG A NH1 
1170 N NH2 . ARG A 75  ? 1.1902 0.7003 1.3526 -0.0025 -0.1083 0.1184  75  ARG A NH2 
1184 N N   . ARG A 76  ? 0.7742 0.5935 0.7674 -0.0535 0.0576  -0.0010 76  ARG A N   
1185 C CA  . ARG A 76  ? 0.7344 0.5941 0.7335 -0.0334 0.0623  -0.0108 76  ARG A CA  
1186 C C   . ARG A 76  ? 0.7367 0.6055 0.7249 -0.0232 0.0503  0.0096  76  ARG A C   
1187 O O   . ARG A 76  ? 0.7144 0.5923 0.6744 -0.0407 0.0484  0.0283  76  ARG A O   
1188 C CB  . ARG A 76  ? 0.7501 0.6573 0.7382 -0.0449 0.0727  -0.0181 76  ARG A CB  
1189 C CG  . ARG A 76  ? 0.7461 0.6914 0.7392 -0.0273 0.0726  -0.0188 76  ARG A CG  
1190 C CD  . ARG A 76  ? 0.7879 0.7758 0.7838 -0.0374 0.0754  -0.0216 76  ARG A CD  
1191 N NE  . ARG A 76  ? 0.8476 0.8278 0.8405 -0.0472 0.0763  -0.0348 76  ARG A NE  
1192 C CZ  . ARG A 76  ? 0.8219 0.8282 0.8126 -0.0637 0.0709  -0.0341 76  ARG A CZ  
1193 N NH1 . ARG A 76  ? 0.7847 0.8300 0.7926 -0.0675 0.0646  -0.0228 76  ARG A NH1 
1194 N NH2 . ARG A 76  ? 0.7676 0.7634 0.7410 -0.0789 0.0713  -0.0457 76  ARG A NH2 
1208 N N   . LYS A 77  ? 0.7479 0.6145 0.7571 0.0004  0.0433  0.0040  77  LYS A N   
1209 C CA  . LYS A 77  ? 0.7980 0.6706 0.7958 0.0089  0.0282  0.0200  77  LYS A CA  
1210 C C   . LYS A 77  ? 0.7234 0.6445 0.7103 0.0141  0.0401  0.0091  77  LYS A C   
1211 O O   . LYS A 77  ? 0.6763 0.6156 0.6830 0.0247  0.0498  -0.0092 77  LYS A O   
1212 C CB  . LYS A 77  ? 0.8206 0.6676 0.8589 0.0311  0.0112  0.0184  77  LYS A CB  
1213 C CG  . LYS A 77  ? 0.9112 0.7496 0.9385 0.0346  -0.0171 0.0429  77  LYS A CG  
1214 C CD  . LYS A 77  ? 0.8493 0.6677 0.9398 0.0589  -0.0348 0.0377  77  LYS A CD  
1215 C CE  . LYS A 77  ? 1.0272 0.8467 1.1151 0.0640  -0.0676 0.0594  77  LYS A CE  
1216 N NZ  . LYS A 77  ? 1.0132 0.8289 1.1793 0.0904  -0.0832 0.0495  77  LYS A NZ  
1230 N N   . TYR A 78  ? 0.6696 0.6091 0.6242 0.0028  0.0401  0.0195  78  TYR A N   
1231 C CA  . TYR A 78  ? 0.7689 0.7497 0.7205 0.0088  0.0515  0.0053  78  TYR A CA  
1232 C C   . TYR A 78  ? 0.8101 0.7864 0.7452 0.0149  0.0376  0.0090  78  TYR A C   
1233 O O   . TYR A 78  ? 0.8365 0.7882 0.7426 0.0023  0.0195  0.0301  78  TYR A O   
1234 C CB  . TYR A 78  ? 0.7507 0.7654 0.6850 -0.0114 0.0699  0.0028  78  TYR A CB  
1235 C CG  . TYR A 78  ? 0.7466 0.7814 0.7056 -0.0174 0.0814  -0.0036 78  TYR A CG  
1236 C CD1 . TYR A 78  ? 0.7622 0.7742 0.7144 -0.0352 0.0791  0.0080  78  TYR A CD1 
1237 C CD2 . TYR A 78  ? 0.6907 0.7660 0.6829 -0.0077 0.0908  -0.0200 78  TYR A CD2 
1238 C CE1 . TYR A 78  ? 0.7717 0.8048 0.7436 -0.0457 0.0863  0.0023  78  TYR A CE1 
1239 C CE2 . TYR A 78  ? 0.7210 0.8174 0.7389 -0.0156 0.0935  -0.0214 78  TYR A CE2 
1240 C CZ  . TYR A 78  ? 0.7725 0.8506 0.7769 -0.0365 0.0917  -0.0107 78  TYR A CZ  
1241 O OH  . TYR A 78  ? 0.9001 1.0030 0.9284 -0.0490 0.0912  -0.0121 78  TYR A OH  
1251 N N   . TYR A 79  ? 0.7683 0.7665 0.7194 0.0304  0.0424  -0.0092 79  TYR A N   
1252 C CA  . TYR A 79  ? 0.8646 0.8628 0.8010 0.0340  0.0302  -0.0112 79  TYR A CA  
1253 C C   . TYR A 79  ? 0.8569 0.8868 0.7750 0.0268  0.0489  -0.0311 79  TYR A C   
1254 O O   . TYR A 79  ? 0.7932 0.8483 0.7387 0.0332  0.0678  -0.0482 79  TYR A O   
1255 C CB  . TYR A 79  ? 0.8883 0.8814 0.8643 0.0561  0.0209  -0.0200 79  TYR A CB  
1256 C CG  . TYR A 79  ? 0.7718 0.7398 0.7787 0.0640  0.0099  -0.0108 79  TYR A CG  
1257 C CD1 . TYR A 79  ? 0.7363 0.7028 0.7663 0.0666  0.0245  -0.0194 79  TYR A CD1 
1258 C CD2 . TYR A 79  ? 0.7832 0.7295 0.7999 0.0670  -0.0160 0.0045  79  TYR A CD2 
1259 C CE1 . TYR A 79  ? 0.7114 0.6556 0.7733 0.0722  0.0212  -0.0206 79  TYR A CE1 
1260 C CE2 . TYR A 79  ? 0.8047 0.7291 0.8670 0.0777  -0.0236 0.0067  79  TYR A CE2 
1261 C CZ  . TYR A 79  ? 0.6846 0.6082 0.7698 0.0805  -0.0013 -0.0097 79  TYR A CZ  
1262 O OH  . TYR A 79  ? 0.8493 0.7516 0.9842 0.0899  -0.0029 -0.0166 79  TYR A OH  
1272 N N   . ARG A 80  ? 0.8281 0.8569 0.7043 0.0125  0.0418  -0.0307 80  ARG A N   
1273 C CA  . ARG A 80  ? 0.8448 0.9031 0.6961 -0.0018 0.0657  -0.0558 80  ARG A CA  
1274 C C   . ARG A 80  ? 0.8217 0.8759 0.6497 -0.0038 0.0544  -0.0681 80  ARG A C   
1275 O O   . ARG A 80  ? 0.9110 0.9418 0.7090 -0.0130 0.0245  -0.0455 80  ARG A O   
1276 C CB  . ARG A 80  ? 1.0009 1.0646 0.7967 -0.0374 0.0761  -0.0438 80  ARG A CB  
1277 C CG  . ARG A 80  ? 1.1862 1.2827 0.9444 -0.0620 0.1057  -0.0738 80  ARG A CG  
1278 C CD  . ARG A 80  ? 0.9807 1.0814 0.6750 -0.1061 0.1161  -0.0562 80  ARG A CD  
1279 N NE  . ARG A 80  ? 1.2184 1.3555 0.8704 -0.1367 0.1515  -0.0912 80  ARG A NE  
1280 C CZ  . ARG A 80  ? 1.3338 1.4648 0.9208 -0.1604 0.1461  -0.1007 80  ARG A CZ  
1281 N NH1 . ARG A 80  ? 1.2146 1.3057 0.7736 -0.1572 0.1008  -0.0717 80  ARG A NH1 
1282 N NH2 . ARG A 80  ? 1.4695 1.6384 1.0214 -0.1905 0.1880  -0.1431 80  ARG A NH2 
1296 N N   . LEU A 81  ? 0.8362 0.9119 0.6819 0.0033  0.0753  -0.1039 81  LEU A N   
1297 C CA  . LEU A 81  ? 0.9137 0.9859 0.7312 -0.0046 0.0688  -0.1228 81  LEU A CA  
1298 C C   . LEU A 81  ? 1.1919 1.2758 0.9309 -0.0454 0.0827  -0.1326 81  LEU A C   
1299 O O   . LEU A 81  ? 1.2818 1.3948 1.0178 -0.0580 0.1195  -0.1572 81  LEU A O   
1300 C CB  . LEU A 81  ? 0.9602 1.0433 0.8329 0.0183  0.0856  -0.1596 81  LEU A CB  
1301 C CG  . LEU A 81  ? 1.0316 1.1129 0.8806 0.0082  0.0886  -0.1925 81  LEU A CG  
1302 C CD1 . LEU A 81  ? 0.9631 1.0210 0.7820 0.0010  0.0511  -0.1710 81  LEU A CD1 
1303 C CD2 . LEU A 81  ? 0.9079 0.9921 0.8255 0.0337  0.1034  -0.2270 81  LEU A CD2 
1315 N N   . THR A 82  ? 1.3897 0.9875 0.7589 -0.4034 0.2300  -0.1537 82  THR A N   
1316 C CA  . THR A 82  ? 1.4765 1.0395 0.8063 -0.3922 0.2233  -0.1358 82  THR A CA  
1317 C C   . THR A 82  ? 1.3620 0.9900 0.7186 -0.3557 0.2073  -0.1240 82  THR A C   
1318 O O   . THR A 82  ? 1.2530 0.9343 0.6617 -0.3303 0.1971  -0.1293 82  THR A O   
1319 C CB  . THR A 82  ? 1.5613 1.0125 0.8683 -0.3641 0.2129  -0.1351 82  THR A CB  
1320 O OG1 . THR A 82  ? 1.5119 0.9612 0.8706 -0.3159 0.1933  -0.1421 82  THR A OG1 
1321 C CG2 . THR A 82  ? 1.4466 0.8191 0.7194 -0.3971 0.2318  -0.1461 82  THR A CG2 
1329 N N   . GLU A 83  ? 1.4180 1.0382 0.7339 -0.3554 0.2073  -0.1078 83  GLU A N   
1330 C CA  . GLU A 83  ? 1.4634 1.1284 0.7927 -0.3188 0.1943  -0.0990 83  GLU A CA  
1331 C C   . GLU A 83  ? 1.5171 1.1339 0.8684 -0.2691 0.1676  -0.1045 83  GLU A C   
1332 O O   . GLU A 83  ? 1.5077 1.1678 0.8992 -0.2381 0.1544  -0.1080 83  GLU A O   
1333 C CB  . GLU A 83  ? 1.5217 1.1768 0.7944 -0.3283 0.2017  -0.0819 83  GLU A CB  
1334 C CG  . GLU A 83  ? 1.6473 1.3583 0.9276 -0.2954 0.1960  -0.0750 83  GLU A CG  
1335 C CD  . GLU A 83  ? 1.7159 1.4219 0.9370 -0.3055 0.2073  -0.0586 83  GLU A CD  
1336 O OE1 . GLU A 83  ? 1.6584 1.3227 0.8338 -0.3418 0.2192  -0.0498 83  GLU A OE1 
1337 O OE2 . GLU A 83  ? 1.6403 1.3830 0.8587 -0.2780 0.2060  -0.0548 83  GLU A OE2 
1344 N N   . ILE A 84  ? 1.6000 1.1264 0.9273 -0.2624 0.1592  -0.1044 84  ILE A N   
1345 C CA  . ILE A 84  ? 1.6367 1.1204 0.9876 -0.2179 0.1320  -0.1071 84  ILE A CA  
1346 C C   . ILE A 84  ? 1.5551 1.0731 0.9731 -0.2049 0.1274  -0.1225 84  ILE A C   
1347 O O   . ILE A 84  ? 1.5541 1.0861 1.0090 -0.1705 0.1056  -0.1250 84  ILE A O   
1348 C CB  . ILE A 84  ? 1.6975 1.0815 1.0112 -0.2137 0.1260  -0.0998 84  ILE A CB  
1349 C CG1 . ILE A 84  ? 1.7724 1.1190 1.0901 -0.2398 0.1459  -0.1105 84  ILE A CG1 
1350 C CG2 . ILE A 84  ? 1.7188 1.0690 0.9605 -0.2334 0.1336  -0.0819 84  ILE A CG2 
1351 C CD1 . ILE A 84  ? 1.8342 1.0755 1.1216 -0.2296 0.1419  -0.1032 84  ILE A CD1 
1363 N N   . GLY A 85  ? 1.8360 1.3705 1.2681 -0.2354 0.1480  -0.1331 85  GLY A N   
1364 C CA  . GLY A 85  ? 1.4862 1.0609 0.9783 -0.2264 0.1465  -0.1467 85  GLY A CA  
1365 C C   . GLY A 85  ? 1.4967 1.1561 1.0254 -0.2142 0.1393  -0.1442 85  GLY A C   
1366 O O   . GLY A 85  ? 1.4858 1.1604 1.0600 -0.1846 0.1223  -0.1480 85  GLY A O   
1370 N N   . HIS A 86  ? 1.3348 1.0503 0.8450 -0.2366 0.1528  -0.1363 86  HIS A N   
1371 C CA  . HIS A 86  ? 1.3303 1.1247 0.8737 -0.2220 0.1490  -0.1315 86  HIS A CA  
1372 C C   . HIS A 86  ? 1.3116 1.0837 0.8616 -0.1778 0.1249  -0.1292 86  HIS A C   
1373 O O   . HIS A 86  ? 1.2311 1.0360 0.8249 -0.1554 0.1135  -0.1321 86  HIS A O   
1374 C CB  . HIS A 86  ? 1.2930 1.1475 0.8122 -0.2485 0.1680  -0.1199 86  HIS A CB  
1375 C CG  . HIS A 86  ? 1.3086 1.2575 0.8704 -0.2442 0.1723  -0.1143 86  HIS A CG  
1376 N ND1 . HIS A 86  ? 1.3235 1.3492 0.8832 -0.2745 0.1913  -0.1036 86  HIS A ND1 
1377 C CD2 . HIS A 86  ? 1.2871 1.2663 0.8957 -0.2133 0.1598  -0.1154 86  HIS A CD2 
1378 C CE1 . HIS A 86  ? 1.2636 1.3638 0.8684 -0.2591 0.1901  -0.0971 86  HIS A CE1 
1379 N NE2 . HIS A 86  ? 1.2972 1.3664 0.9302 -0.2223 0.1717  -0.1045 86  HIS A NE2 
1387 N N   . GLU A 87  ? 1.3650 1.0796 0.8682 -0.1673 0.1163  -0.1237 87  GLU A N   
1388 C CA  . GLU A 87  ? 1.3270 1.0174 0.8291 -0.1295 0.0913  -0.1233 87  GLU A CA  
1389 C C   . GLU A 87  ? 1.3373 0.9961 0.8811 -0.1070 0.0680  -0.1312 87  GLU A C   
1390 O O   . GLU A 87  ? 1.2817 0.9530 0.8532 -0.0819 0.0492  -0.1345 87  GLU A O   
1391 C CB  . GLU A 87  ? 1.4154 1.0534 0.8527 -0.1269 0.0871  -0.1143 87  GLU A CB  
1392 C CG  . GLU A 87  ? 1.4706 1.1510 0.8721 -0.1407 0.1083  -0.1059 87  GLU A CG  
1393 C CD  . GLU A 87  ? 1.5676 1.2883 0.9803 -0.1125 0.1034  -0.1084 87  GLU A CD  
1394 O OE1 . GLU A 87  ? 1.4268 1.1324 0.8674 -0.0846 0.0805  -0.1168 87  GLU A OE1 
1395 O OE2 . GLU A 87  ? 1.5063 1.2744 0.9007 -0.1188 0.1241  -0.1018 87  GLU A OE2 
1402 N N   . ASN A 88  ? 1.2624 0.8777 0.8100 -0.1153 0.0694  -0.1338 88  ASN A N   
1403 C CA  . ASN A 88  ? 1.2752 0.8717 0.8711 -0.0940 0.0511  -0.1401 88  ASN A CA  
1404 C C   . ASN A 88  ? 1.1909 0.8501 0.8460 -0.0917 0.0525  -0.1477 88  ASN A C   
1405 O O   . ASN A 88  ? 1.1724 0.8352 0.8676 -0.0687 0.0310  -0.1501 88  ASN A O   
1406 C CB  . ASN A 88  ? 1.3312 0.8825 0.9285 -0.1047 0.0627  -0.1438 88  ASN A CB  
1407 C CG  . ASN A 88  ? 1.5152 0.9892 1.0685 -0.0946 0.0521  -0.1333 88  ASN A CG  
1408 O OD1 . ASN A 88  ? 1.6259 1.0757 1.1799 -0.0666 0.0239  -0.1260 88  ASN A OD1 
1409 N ND2 . ASN A 88  ? 1.5855 1.0200 1.0974 -0.1195 0.0736  -0.1313 88  ASN A ND2 
1416 N N   . MET A 89  ? 1.1891 0.9002 0.8492 -0.1179 0.0767  -0.1496 89  MET A N   
1417 C CA  . MET A 89  ? 1.1080 0.8799 0.8206 -0.1205 0.0810  -0.1539 89  MET A CA  
1418 C C   . MET A 89  ? 1.0609 0.8812 0.7845 -0.1076 0.0752  -0.1475 89  MET A C   
1419 O O   . MET A 89  ? 0.9342 0.8005 0.7027 -0.1048 0.0747  -0.1476 89  MET A O   
1420 C CB  . MET A 89  ? 1.0557 0.8642 0.7671 -0.1572 0.1085  -0.1575 89  MET A CB  
1421 C CG  . MET A 89  ? 1.0538 0.8117 0.7511 -0.1732 0.1204  -0.1672 89  MET A CG  
1422 S SD  . MET A 89  ? 1.0554 0.7731 0.7985 -0.1432 0.1052  -0.1755 89  MET A SD  
1423 C CE  . MET A 89  ? 0.8479 0.6455 0.6547 -0.1409 0.1034  -0.1774 89  MET A CE  
1433 N N   . ARG A 90  ? 1.1541 0.9643 0.8362 -0.0996 0.0733  -0.1413 90  ARG A N   
1434 C CA  . ARG A 90  ? 1.1401 0.9954 0.8292 -0.0860 0.0743  -0.1360 90  ARG A CA  
1435 C C   . ARG A 90  ? 0.9752 0.8308 0.7090 -0.0616 0.0534  -0.1399 90  ARG A C   
1436 O O   . ARG A 90  ? 0.8579 0.7635 0.6292 -0.0605 0.0588  -0.1362 90  ARG A O   
1437 C CB  . ARG A 90  ? 1.2444 1.0752 0.8783 -0.0750 0.0740  -0.1319 90  ARG A CB  
1438 C CG  . ARG A 90  ? 1.2781 1.1583 0.9117 -0.0603 0.0844  -0.1262 90  ARG A CG  
1439 C CD  . ARG A 90  ? 1.1945 1.0491 0.7687 -0.0495 0.0882  -0.1242 90  ARG A CD  
1440 N NE  . ARG A 90  ? 1.3089 1.1624 0.8479 -0.0791 0.1049  -0.1176 90  ARG A NE  
1441 C CZ  . ARG A 90  ? 1.3054 1.2197 0.8507 -0.1058 0.1296  -0.1088 90  ARG A CZ  
1442 N NH1 . ARG A 90  ? 1.2686 1.2570 0.8493 -0.1015 0.1421  -0.1022 90  ARG A NH1 
1443 N NH2 . ARG A 90  ? 1.3981 1.2981 0.9147 -0.1390 0.1409  -0.1053 90  ARG A NH2 
1457 N N   . LEU A 91  ? 1.0041 0.8052 0.7361 -0.0439 0.0283  -0.1456 91  LEU A N   
1458 C CA  . LEU A 91  ? 0.9327 0.7329 0.7046 -0.0250 0.0068  -0.1491 91  LEU A CA  
1459 C C   . LEU A 91  ? 0.9014 0.7423 0.7333 -0.0353 0.0124  -0.1489 91  LEU A C   
1460 O O   . LEU A 91  ? 0.9059 0.7755 0.7717 -0.0282 0.0086  -0.1462 91  LEU A O   
1461 C CB  . LEU A 91  ? 1.0198 0.7624 0.7837 -0.0102 -0.0232 -0.1537 91  LEU A CB  
1462 C CG  . LEU A 91  ? 0.9772 0.7191 0.7910 0.0014  -0.0480 -0.1571 91  LEU A CG  
1463 C CD1 . LEU A 91  ? 0.9603 0.7120 0.7797 0.0130  -0.0548 -0.1588 91  LEU A CD1 
1464 C CD2 . LEU A 91  ? 1.0117 0.7053 0.8196 0.0128  -0.0797 -0.1588 91  LEU A CD2 
1476 N N   . ALA A 92  ? 0.7829 0.6217 0.6254 -0.0517 0.0223  -0.1519 92  ALA A N   
1477 C CA  . ALA A 92  ? 0.7361 0.6123 0.6290 -0.0634 0.0311  -0.1535 92  ALA A CA  
1478 C C   . ALA A 92  ? 0.7651 0.7054 0.6671 -0.0796 0.0513  -0.1465 92  ALA A C   
1479 O O   . ALA A 92  ? 0.6339 0.6116 0.5785 -0.0809 0.0512  -0.1429 92  ALA A O   
1480 C CB  . ALA A 92  ? 0.7586 0.6113 0.6501 -0.0762 0.0421  -0.1607 92  ALA A CB  
1486 N N   . PHE A 93  ? 0.8045 0.7625 0.6680 -0.0925 0.0680  -0.1417 93  PHE A N   
1487 C CA  . PHE A 93  ? 0.8076 0.8365 0.6827 -0.1073 0.0852  -0.1312 93  PHE A CA  
1488 C C   . PHE A 93  ? 0.7966 0.8489 0.6919 -0.0827 0.0762  -0.1210 93  PHE A C   
1489 O O   . PHE A 93  ? 0.7402 0.8439 0.6705 -0.0859 0.0807  -0.1110 93  PHE A O   
1490 C CB  . PHE A 93  ? 0.8087 0.8590 0.6419 -0.1290 0.1047  -0.1266 93  PHE A CB  
1491 C CG  . PHE A 93  ? 0.8425 0.8887 0.6594 -0.1640 0.1204  -0.1343 93  PHE A CG  
1492 C CD1 . PHE A 93  ? 0.7920 0.8433 0.6371 -0.1769 0.1238  -0.1426 93  PHE A CD1 
1493 C CD2 . PHE A 93  ? 0.9245 0.9622 0.6958 -0.1860 0.1339  -0.1337 93  PHE A CD2 
1494 C CE1 . PHE A 93  ? 0.7976 0.8362 0.6211 -0.2091 0.1409  -0.1532 93  PHE A CE1 
1495 C CE2 . PHE A 93  ? 0.9445 0.9689 0.6959 -0.2207 0.1490  -0.1426 93  PHE A CE2 
1496 C CZ  . PHE A 93  ? 0.8422 0.8633 0.6182 -0.2310 0.1526  -0.1538 93  PHE A CZ  
1506 N N   . GLU A 94  ? 0.7524 0.7657 0.6214 -0.0583 0.0650  -0.1227 94  GLU A N   
1507 C CA  . GLU A 94  ? 0.6559 0.6773 0.5375 -0.0324 0.0584  -0.1160 94  GLU A CA  
1508 C C   . GLU A 94  ? 0.6777 0.6943 0.6069 -0.0254 0.0423  -0.1161 94  GLU A C   
1509 O O   . GLU A 94  ? 0.6114 0.6671 0.5712 -0.0203 0.0465  -0.1037 94  GLU A O   
1510 C CB  . GLU A 94  ? 0.7418 0.7075 0.5797 -0.0090 0.0478  -0.1236 94  GLU A CB  
1511 C CG  . GLU A 94  ? 0.8353 0.8067 0.6232 -0.0135 0.0652  -0.1214 94  GLU A CG  
1512 C CD  . GLU A 94  ? 0.8391 0.7499 0.5759 0.0058  0.0544  -0.1304 94  GLU A CD  
1513 O OE1 . GLU A 94  ? 0.8542 0.7136 0.5903 0.0202  0.0303  -0.1401 94  GLU A OE1 
1514 O OE2 . GLU A 94  ? 0.8590 0.7760 0.5538 0.0047  0.0701  -0.1274 94  GLU A OE2 
1521 N N   . SER A 95  ? 0.6401 0.6127 0.5785 -0.0264 0.0243  -0.1274 95  SER A N   
1522 C CA  . SER A 95  ? 0.6341 0.6068 0.6209 -0.0247 0.0096  -0.1270 95  SER A CA  
1523 C C   . SER A 95  ? 0.5791 0.6127 0.6030 -0.0446 0.0264  -0.1176 95  SER A C   
1524 O O   . SER A 95  ? 0.5608 0.6181 0.6190 -0.0415 0.0232  -0.1074 95  SER A O   
1525 C CB  . SER A 95  ? 0.6347 0.5621 0.6280 -0.0233 -0.0104 -0.1385 95  SER A CB  
1526 O OG  . SER A 95  ? 0.6776 0.5512 0.6327 -0.0059 -0.0295 -0.1451 95  SER A OG  
1532 N N   . TRP A 96  ? 0.5711 0.6289 0.5841 -0.0671 0.0448  -0.1203 96  TRP A N   
1533 C CA  . TRP A 96  ? 0.5398 0.6561 0.5807 -0.0892 0.0605  -0.1128 96  TRP A CA  
1534 C C   . TRP A 96  ? 0.5240 0.6905 0.5751 -0.0843 0.0658  -0.0936 96  TRP A C   
1535 O O   . TRP A 96  ? 0.5009 0.7062 0.5863 -0.0902 0.0673  -0.0816 96  TRP A O   
1536 C CB  . TRP A 96  ? 0.5442 0.6787 0.5610 -0.1183 0.0816  -0.1197 96  TRP A CB  
1537 C CG  . TRP A 96  ? 0.5359 0.7000 0.5837 -0.1371 0.0903  -0.1218 96  TRP A CG  
1538 C CD1 . TRP A 96  ? 0.5019 0.7224 0.5786 -0.1460 0.0946  -0.1077 96  TRP A CD1 
1539 C CD2 . TRP A 96  ? 0.5348 0.6716 0.5896 -0.1459 0.0958  -0.1380 96  TRP A CD2 
1540 N NE1 . TRP A 96  ? 0.5051 0.7364 0.6036 -0.1624 0.1031  -0.1155 96  TRP A NE1 
1541 C CE2 . TRP A 96  ? 0.5125 0.6934 0.5997 -0.1611 0.1052  -0.1350 96  TRP A CE2 
1542 C CE3 . TRP A 96  ? 0.5803 0.6603 0.6155 -0.1415 0.0958  -0.1534 96  TRP A CE3 
1543 C CZ2 . TRP A 96  ? 0.5206 0.6917 0.6209 -0.1715 0.1173  -0.1497 96  TRP A CZ2 
1544 C CZ3 . TRP A 96  ? 0.5741 0.6421 0.6250 -0.1488 0.1063  -0.1660 96  TRP A CZ3 
1545 C CH2 . TRP A 96  ? 0.5513 0.6653 0.6354 -0.1632 0.1182  -0.1655 96  TRP A CH2 
1556 N N   . SER A 97  ? 0.5401 0.7083 0.5613 -0.0725 0.0702  -0.0886 97  SER A N   
1557 C CA  . SER A 97  ? 0.5477 0.7732 0.5789 -0.0667 0.0797  -0.0678 97  SER A CA  
1558 C C   . SER A 97  ? 0.5585 0.7713 0.6201 -0.0429 0.0669  -0.0579 97  SER A C   
1559 O O   . SER A 97  ? 0.5468 0.8089 0.6308 -0.0391 0.0730  -0.0369 97  SER A O   
1560 C CB  . SER A 97  ? 0.5508 0.7803 0.5457 -0.0554 0.0892  -0.0653 97  SER A CB  
1561 O OG  . SER A 97  ? 0.5765 0.7624 0.5631 -0.0208 0.0795  -0.0665 97  SER A OG  
1567 N N   . ARG A 98  ? 0.5472 0.6928 0.6076 -0.0273 0.0481  -0.0715 98  ARG A N   
1568 C CA  . ARG A 98  ? 0.5546 0.6758 0.6424 -0.0102 0.0334  -0.0648 98  ARG A CA  
1569 C C   . ARG A 98  ? 0.5307 0.6634 0.6621 -0.0274 0.0258  -0.0616 98  ARG A C   
1570 O O   . ARG A 98  ? 0.5376 0.6561 0.6943 -0.0187 0.0151  -0.0522 98  ARG A O   
1571 C CB  . ARG A 98  ? 0.5947 0.6375 0.6605 0.0098  0.0132  -0.0814 98  ARG A CB  
1572 C CG  . ARG A 98  ? 0.7662 0.7802 0.8012 0.0383  0.0154  -0.0806 98  ARG A CG  
1573 C CD  . ARG A 98  ? 0.7659 0.6993 0.7792 0.0521  -0.0078 -0.0984 98  ARG A CD  
1574 N NE  . ARG A 98  ? 0.7823 0.6872 0.7694 0.0428  -0.0186 -0.1155 98  ARG A NE  
1575 C CZ  . ARG A 98  ? 0.7733 0.6545 0.7100 0.0525  -0.0141 -0.1249 98  ARG A CZ  
1576 N NH1 . ARG A 98  ? 0.7851 0.6729 0.6951 0.0716  0.0031  -0.1205 98  ARG A NH1 
1577 N NH2 . ARG A 98  ? 0.7326 0.5845 0.6460 0.0442  -0.0262 -0.1372 98  ARG A NH2 
1591 N N   . VAL A 99  ? 0.5135 0.6598 0.6519 -0.0499 0.0302  -0.0715 99  VAL A N   
1592 C CA  . VAL A 99  ? 0.4949 0.6496 0.6751 -0.0631 0.0243  -0.0703 99  VAL A CA  
1593 C C   . VAL A 99  ? 0.4999 0.7035 0.7086 -0.0695 0.0310  -0.0467 99  VAL A C   
1594 O O   . VAL A 99  ? 0.5161 0.7147 0.7588 -0.0717 0.0214  -0.0392 99  VAL A O   
1595 C CB  . VAL A 99  ? 0.4964 0.6654 0.6799 -0.0848 0.0352  -0.0838 99  VAL A CB  
1596 C CG1 . VAL A 99  ? 0.5103 0.7060 0.7394 -0.0998 0.0367  -0.0795 99  VAL A CG1 
1597 C CG2 . VAL A 99  ? 0.5112 0.6246 0.6767 -0.0754 0.0237  -0.1033 99  VAL A CG2 
1607 N N   . ASP A 100 ? 0.6151 0.8711 0.8118 -0.0751 0.0472  -0.0323 100 ASP A N   
1608 C CA  . ASP A 100 ? 0.6051 0.9154 0.8281 -0.0834 0.0532  -0.0063 100 ASP A CA  
1609 C C   . ASP A 100 ? 0.6112 0.8940 0.8476 -0.0567 0.0417  0.0109  100 ASP A C   
1610 O O   . ASP A 100 ? 0.5929 0.8821 0.8597 -0.0609 0.0365  0.0274  100 ASP A O   
1611 C CB  . ASP A 100 ? 0.7033 1.0832 0.9104 -0.0984 0.0708  0.0061  100 ASP A CB  
1612 C CG  . ASP A 100 ? 0.7278 1.1715 0.9549 -0.1271 0.0798  0.0218  100 ASP A CG  
1613 O OD1 . ASP A 100 ? 0.8068 1.2799 1.0567 -0.1211 0.0768  0.0498  100 ASP A OD1 
1614 O OD2 . ASP A 100 ? 0.7660 1.2230 0.9849 -0.1549 0.0899  0.0052  100 ASP A OD2 
1619 N N   . LYS A 101 ? 0.5147 0.7589 0.7257 -0.0295 0.0382  0.0058  101 LYS A N   
1620 C CA  . LYS A 101 ? 0.5346 0.7336 0.7506 -0.0018 0.0283  0.0158  101 LYS A CA  
1621 C C   . LYS A 101 ? 0.5592 0.7020 0.7942 -0.0073 0.0086  0.0058  101 LYS A C   
1622 O O   . LYS A 101 ? 0.5679 0.6922 0.8243 -0.0024 0.0013  0.0216  101 LYS A O   
1623 C CB  . LYS A 101 ? 0.6029 0.7579 0.7806 0.0271  0.0290  0.0031  101 LYS A CB  
1624 C CG  . LYS A 101 ? 0.6474 0.8437 0.7969 0.0279  0.0459  0.0004  101 LYS A CG  
1625 C CD  . LYS A 101 ? 0.6982 0.8551 0.8125 0.0626  0.0505  -0.0061 101 LYS A CD  
1626 C CE  . LYS A 101 ? 0.5907 0.7936 0.6786 0.0584  0.0680  -0.0080 101 LYS A CE  
1627 N NZ  . LYS A 101 ? 0.7324 0.8817 0.7757 0.0831  0.0701  -0.0257 101 LYS A NZ  
1641 N N   . ILE A 102 ? 0.5457 0.6590 0.7728 -0.0173 -0.0011 -0.0192 102 ILE A N   
1642 C CA  . ILE A 102 ? 0.5615 0.6280 0.8089 -0.0229 -0.0222 -0.0283 102 ILE A CA  
1643 C C   . ILE A 102 ? 0.5394 0.6452 0.8321 -0.0446 -0.0201 -0.0106 102 ILE A C   
1644 O O   . ILE A 102 ? 0.5616 0.6409 0.8750 -0.0451 -0.0317 0.0003  102 ILE A O   
1645 C CB  . ILE A 102 ? 0.5605 0.6007 0.7964 -0.0285 -0.0331 -0.0540 102 ILE A CB  
1646 C CG1 . ILE A 102 ? 0.5966 0.5857 0.7833 -0.0063 -0.0390 -0.0689 102 ILE A CG1 
1647 C CG2 . ILE A 102 ? 0.5665 0.5842 0.8376 -0.0409 -0.0539 -0.0588 102 ILE A CG2 
1648 C CD1 . ILE A 102 ? 0.6053 0.5623 0.7745 -0.0092 -0.0533 -0.0914 102 ILE A CD1 
1660 N N   . ILE A 103 ? 0.5018 0.6703 0.8060 -0.0643 -0.0034 -0.0067 103 ILE A N   
1661 C CA  . ILE A 103 ? 0.4838 0.6944 0.8263 -0.0866 0.0017  0.0096  103 ILE A CA  
1662 C C   . ILE A 103 ? 0.5255 0.7458 0.8784 -0.0804 0.0025  0.0404  103 ILE A C   
1663 O O   . ILE A 103 ? 0.5391 0.7427 0.9198 -0.0876 -0.0072 0.0528  103 ILE A O   
1664 C CB  . ILE A 103 ? 0.4509 0.7246 0.7926 -0.1088 0.0226  0.0065  103 ILE A CB  
1665 C CG1 . ILE A 103 ? 0.4451 0.6985 0.7784 -0.1119 0.0224  -0.0229 103 ILE A CG1 
1666 C CG2 . ILE A 103 ? 0.5771 0.8973 0.9538 -0.1329 0.0305  0.0233  103 ILE A CG2 
1667 C CD1 . ILE A 103 ? 0.4784 0.7064 0.8466 -0.1154 0.0081  -0.0328 103 ILE A CD1 
1679 N N   . GLU A 104 ? 0.5072 0.7525 0.8394 -0.0659 0.0133  0.0551  104 GLU A N   
1680 C CA  . GLU A 104 ? 0.5573 0.8147 0.9018 -0.0557 0.0148  0.0888  104 GLU A CA  
1681 C C   . GLU A 104 ? 0.5675 0.7447 0.9138 -0.0357 -0.0015 0.0900  104 GLU A C   
1682 O O   . GLU A 104 ? 0.6073 0.7748 0.9758 -0.0398 -0.0060 0.1134  104 GLU A O   
1683 C CB  . GLU A 104 ? 0.5859 0.8879 0.9118 -0.0389 0.0282  0.1054  104 GLU A CB  
1684 C CG  . GLU A 104 ? 0.8144 1.2060 1.1423 -0.0646 0.0431  0.1174  104 GLU A CG  
1685 C CD  . GLU A 104 ? 0.7877 1.2279 1.1003 -0.0490 0.0533  0.1340  104 GLU A CD  
1686 O OE1 . GLU A 104 ? 0.7362 1.1507 1.0501 -0.0152 0.0508  0.1502  104 GLU A OE1 
1687 O OE2 . GLU A 104 ? 0.7602 1.2617 1.0591 -0.0703 0.0644  0.1299  104 GLU A OE2 
1694 N N   . ASN A 105 ? 0.5920 0.7070 0.9112 -0.0169 -0.0107 0.0643  105 ASN A N   
1695 C CA  . ASN A 105 ? 0.6484 0.6792 0.9602 -0.0006 -0.0263 0.0606  105 ASN A CA  
1696 C C   . ASN A 105 ? 0.6682 0.6760 1.0105 -0.0269 -0.0428 0.0594  105 ASN A C   
1697 O O   . ASN A 105 ? 0.6922 0.6667 1.0482 -0.0280 -0.0493 0.0774  105 ASN A O   
1698 C CB  . ASN A 105 ? 0.6768 0.6478 0.9474 0.0194  -0.0337 0.0300  105 ASN A CB  
1699 C CG  . ASN A 105 ? 0.6916 0.6694 0.9312 0.0525  -0.0167 0.0351  105 ASN A CG  
1700 O OD1 . ASN A 105 ? 0.6926 0.7061 0.9454 0.0653  -0.0035 0.0641  105 ASN A OD1 
1701 N ND2 . ASN A 105 ? 0.7048 0.6538 0.9051 0.0663  -0.0166 0.0095  105 ASN A ND2 
1702 N N   . LEU A 106 ? 0.7113 0.7384 1.0664 -0.0483 -0.0487 0.0397  106 LEU A N   
1703 C CA  . LEU A 106 ? 0.7531 0.7759 1.1453 -0.0750 -0.0623 0.0397  106 LEU A CA  
1704 C C   . LEU A 106 ? 0.8336 0.8971 1.2591 -0.0926 -0.0532 0.0720  106 LEU A C   
1705 O O   . LEU A 106 ? 0.8612 0.8953 1.3095 -0.1069 -0.0654 0.0830  106 LEU A O   
1706 C CB  . LEU A 106 ? 0.5818 0.6415 0.9880 -0.0905 -0.0618 0.0191  106 LEU A CB  
1707 C CG  . LEU A 106 ? 0.5949 0.6096 0.9778 -0.0803 -0.0784 -0.0109 106 LEU A CG  
1708 C CD1 . LEU A 106 ? 0.6295 0.6905 1.0307 -0.0926 -0.0713 -0.0233 106 LEU A CD1 
1709 C CD2 . LEU A 106 ? 0.6420 0.5939 1.0304 -0.0848 -0.1054 -0.0167 106 LEU A CD2 
1721 N N   . GLU A 107 ? 0.7848 0.9191 1.2126 -0.0966 -0.0325 0.0874  107 GLU A N   
1722 C CA  . GLU A 107 ? 0.7737 0.9503 1.2264 -0.1131 -0.0235 0.1211  107 GLU A CA  
1723 C C   . GLU A 107 ? 0.8758 1.0027 1.3224 -0.0948 -0.0297 0.1472  107 GLU A C   
1724 O O   . GLU A 107 ? 0.8325 0.9512 1.3022 -0.1101 -0.0336 0.1713  107 GLU A O   
1725 C CB  . GLU A 107 ? 0.7263 0.9858 1.1719 -0.1198 -0.0020 0.1321  107 GLU A CB  
1726 C CG  . GLU A 107 ? 0.8302 1.1372 1.2846 -0.1436 0.0084  0.1098  107 GLU A CG  
1727 C CD  . GLU A 107 ? 0.8585 1.2338 1.2921 -0.1510 0.0287  0.1117  107 GLU A CD  
1728 O OE1 . GLU A 107 ? 0.9266 1.3146 1.3376 -0.1341 0.0322  0.1253  107 GLU A OE1 
1729 O OE2 . GLU A 107 ? 0.8482 1.2662 1.2883 -0.1746 0.0420  0.0998  107 GLU A OE2 
1736 N N   . ALA A 108 ? 0.8057 0.8967 1.2208 -0.0613 -0.0288 0.1434  108 ALA A N   
1737 C CA  . ALA A 108 ? 0.9466 0.9790 1.3540 -0.0381 -0.0325 0.1654  108 ALA A CA  
1738 C C   . ALA A 108 ? 1.0852 1.0270 1.4934 -0.0460 -0.0529 0.1517  108 ALA A C   
1739 O O   . ALA A 108 ? 1.0484 0.9581 1.4724 -0.0560 -0.0583 0.1755  108 ALA A O   
1740 C CB  . ALA A 108 ? 1.0526 1.0695 1.4269 0.0027  -0.0236 0.1617  108 ALA A CB  
1746 N N   . ASN A 109 ? 1.1375 1.0387 1.5276 -0.0454 -0.0658 0.1141  109 ASN A N   
1747 C CA  . ASN A 109 ? 1.1743 0.9827 1.5540 -0.0506 -0.0877 0.0978  109 ASN A CA  
1748 C C   . ASN A 109 ? 1.1286 0.9453 1.5494 -0.0914 -0.1015 0.1047  109 ASN A C   
1749 O O   . ASN A 109 ? 1.2688 1.0127 1.6874 -0.1033 -0.1196 0.1014  109 ASN A O   
1750 C CB  . ASN A 109 ? 1.0688 0.8354 1.4140 -0.0404 -0.1002 0.0573  109 ASN A CB  
1751 C CG  . ASN A 109 ? 1.1400 0.9063 1.4438 -0.0023 -0.0844 0.0480  109 ASN A CG  
1752 O OD1 . ASN A 109 ? 1.0545 0.8244 1.3502 0.0238  -0.0677 0.0697  109 ASN A OD1 
1753 N ND2 . ASN A 109 ? 0.9804 0.7419 1.2589 0.0016  -0.0902 0.0177  109 ASN A ND2 
1760 N N   . LYS A 110 ? 1.1755 1.0787 1.6324 -0.1147 -0.0922 0.1136  110 LYS A N   
1761 C CA  . LYS A 110 ? 1.2436 1.1680 1.7443 -0.1520 -0.0986 0.1284  110 LYS A CA  
1762 C C   . LYS A 110 ? 1.2848 1.2111 1.7956 -0.1563 -0.0887 0.1699  110 LYS A C   
1763 O O   . LYS A 110 ? 1.3603 1.2215 1.8734 -0.1661 -0.1008 0.1828  110 LYS A O   
1764 C CB  . LYS A 110 ? 1.1275 1.1419 1.6602 -0.1720 -0.0883 0.1209  110 LYS A CB  
1765 C CG  . LYS A 110 ? 1.1618 1.2060 1.7438 -0.2100 -0.0930 0.1331  110 LYS A CG  
1766 C CD  . LYS A 110 ? 1.1654 1.1461 1.7579 -0.2253 -0.1219 0.1186  110 LYS A CD  
1767 C CE  . LYS A 110 ? 1.1475 1.1714 1.7961 -0.2655 -0.1255 0.1319  110 LYS A CE  
1768 N NZ  . LYS A 110 ? 1.1669 1.2044 1.8303 -0.2839 -0.1131 0.1705  110 LYS A NZ  
1782 N N   . LYS A 111 ? 1.1396 1.1367 1.6521 -0.1492 -0.0675 0.1919  111 LYS A N   
1783 C CA  . LYS A 111 ? 1.2075 1.2232 1.7310 -0.1547 -0.0577 0.2361  111 LYS A CA  
1784 C C   . LYS A 111 ? 1.1143 1.0847 1.6077 -0.1151 -0.0535 0.2549  111 LYS A C   
1785 O O   . LYS A 111 ? 1.1326 1.0085 1.6086 -0.0997 -0.0647 0.2513  111 LYS A O   
1786 C CB  . LYS A 111 ? 1.1623 1.2868 1.7030 -0.1729 -0.0382 0.2507  111 LYS A CB  
1787 C CG  . LYS A 111 ? 1.1928 1.3659 1.7615 -0.2041 -0.0368 0.2260  111 LYS A CG  
1788 C CD  . LYS A 111 ? 1.1423 1.4160 1.7220 -0.2240 -0.0141 0.2354  111 LYS A CD  
1789 C CE  . LYS A 111 ? 1.1736 1.4857 1.7862 -0.2516 -0.0103 0.2127  111 LYS A CE  
1790 N NZ  . LYS A 111 ? 1.1475 1.5487 1.7644 -0.2702 0.0149  0.2148  111 LYS A NZ  
1804 N N   . ALA B 2   ? 1.3033 0.9837 1.2304 -0.2676 -0.3123 0.0147  2   ALA B N   
1805 C CA  . ALA B 2   ? 1.2763 0.9964 1.1871 -0.2624 -0.2728 -0.0210 2   ALA B CA  
1806 C C   . ALA B 2   ? 1.0139 0.7650 0.9547 -0.2105 -0.2810 -0.0345 2   ALA B C   
1807 O O   . ALA B 2   ? 1.0082 0.7926 0.9257 -0.2135 -0.2627 -0.0432 2   ALA B O   
1808 C CB  . ALA B 2   ? 1.2804 1.0128 1.1184 -0.3197 -0.2505 -0.0075 2   ALA B CB  
1813 N N   . GLU B 3   ? 1.0513 0.7891 1.0437 -0.1651 -0.3075 -0.0358 3   GLU B N   
1814 C CA  . GLU B 3   ? 0.9702 0.7380 0.9933 -0.1160 -0.3103 -0.0502 3   GLU B CA  
1815 C C   . GLU B 3   ? 0.9377 0.7232 0.9688 -0.0874 -0.2812 -0.0964 3   GLU B C   
1816 O O   . GLU B 3   ? 0.8452 0.6677 0.8708 -0.0713 -0.2657 -0.1083 3   GLU B O   
1817 C CB  . GLU B 3   ? 1.1642 0.9073 1.2410 -0.0781 -0.3436 -0.0399 3   GLU B CB  
1818 C CG  . GLU B 3   ? 1.2626 0.9690 1.3408 -0.1091 -0.3797 0.0084  3   GLU B CG  
1819 C CD  . GLU B 3   ? 1.2360 0.9624 1.2681 -0.1553 -0.3894 0.0503  3   GLU B CD  
1820 O OE1 . GLU B 3   ? 1.1764 0.9386 1.2223 -0.1398 -0.3981 0.0617  3   GLU B OE1 
1821 O OE2 . GLU B 3   ? 1.2237 0.9310 1.2027 -0.2101 -0.3867 0.0704  3   GLU B OE2 
1828 N N   . ILE B 4   ? 0.8973 0.6569 0.9430 -0.0830 -0.2766 -0.1199 4   ILE B N   
1829 C CA  . ILE B 4   ? 0.9665 0.7406 1.0217 -0.0562 -0.2581 -0.1591 4   ILE B CA  
1830 C C   . ILE B 4   ? 0.8554 0.6619 0.8850 -0.0778 -0.2268 -0.1678 4   ILE B C   
1831 O O   . ILE B 4   ? 0.7805 0.6144 0.8097 -0.0534 -0.2155 -0.1846 4   ILE B O   
1832 C CB  . ILE B 4   ? 0.9453 0.6850 1.0246 -0.0532 -0.2650 -0.1779 4   ILE B CB  
1833 C CG1 . ILE B 4   ? 0.9998 0.7018 1.1073 -0.0231 -0.2963 -0.1797 4   ILE B CG1 
1834 C CG2 . ILE B 4   ? 0.8787 0.6485 0.9607 -0.0306 -0.2379 -0.2001 4   ILE B CG2 
1835 C CD1 . ILE B 4   ? 0.9896 0.7018 1.1057 0.0263  -0.2966 -0.2083 4   ILE B CD1 
1847 N N   . PRO B 5   ? 0.9159 0.7197 0.9239 -0.1231 -0.2090 -0.1591 5   PRO B N   
1848 C CA  . PRO B 5   ? 0.8346 0.6662 0.8221 -0.1409 -0.1766 -0.1708 5   PRO B CA  
1849 C C   . PRO B 5   ? 0.8142 0.6741 0.7800 -0.1319 -0.1777 -0.1601 5   PRO B C   
1850 O O   . PRO B 5   ? 0.7332 0.6167 0.6991 -0.1209 -0.1595 -0.1767 5   PRO B O   
1851 C CB  . PRO B 5   ? 0.8713 0.6903 0.8302 -0.1951 -0.1574 -0.1596 5   PRO B CB  
1852 C CG  . PRO B 5   ? 0.9373 0.7262 0.8898 -0.2090 -0.1865 -0.1296 5   PRO B CG  
1853 C CD  . PRO B 5   ? 0.9716 0.7452 0.9704 -0.1620 -0.2153 -0.1380 5   PRO B CD  
1861 N N   . LYS B 6   ? 0.7822 0.6407 0.7353 -0.1376 -0.2015 -0.1296 6   LYS B N   
1862 C CA  . LYS B 6   ? 0.7778 0.6677 0.7188 -0.1332 -0.2056 -0.1156 6   LYS B CA  
1863 C C   . LYS B 6   ? 0.7335 0.6482 0.7057 -0.0837 -0.2045 -0.1330 6   LYS B C   
1864 O O   . LYS B 6   ? 0.6621 0.6046 0.6246 -0.0821 -0.1877 -0.1405 6   LYS B O   
1865 C CB  . LYS B 6   ? 0.8936 0.7772 0.8303 -0.1465 -0.2388 -0.0758 6   LYS B CB  
1866 C CG  . LYS B 6   ? 1.0354 0.9025 0.9169 -0.2073 -0.2385 -0.0524 6   LYS B CG  
1867 C CD  . LYS B 6   ? 1.1032 0.9552 0.9830 -0.2227 -0.2808 -0.0063 6   LYS B CD  
1868 C CE  . LYS B 6   ? 1.2466 1.0835 1.0538 -0.2900 -0.2821 0.0197  6   LYS B CE  
1869 N NZ  . LYS B 6   ? 1.2588 1.0789 1.0651 -0.3066 -0.3307 0.0712  6   LYS B NZ  
1883 N N   . GLU B 7   ? 0.7363 0.6379 0.7421 -0.0456 -0.2197 -0.1420 7   GLU B N   
1884 C CA  . GLU B 7   ? 0.7502 0.6724 0.7733 -0.0029 -0.2127 -0.1633 7   GLU B CA  
1885 C C   . GLU B 7   ? 0.6990 0.6291 0.7083 -0.0041 -0.1898 -0.1882 7   GLU B C   
1886 O O   . GLU B 7   ? 0.5980 0.5560 0.6026 0.0108  -0.1779 -0.1943 7   GLU B O   
1887 C CB  . GLU B 7   ? 0.7314 0.6272 0.7825 0.0331  -0.2281 -0.1789 7   GLU B CB  
1888 C CG  . GLU B 7   ? 0.8096 0.7230 0.8639 0.0717  -0.2172 -0.2041 7   GLU B CG  
1889 C CD  . GLU B 7   ? 0.9456 0.8263 1.0181 0.1053  -0.2295 -0.2277 7   GLU B CD  
1890 O OE1 . GLU B 7   ? 0.8709 0.7187 0.9371 0.1021  -0.2360 -0.2475 7   GLU B OE1 
1891 O OE2 . GLU B 7   ? 0.8777 0.7645 0.9753 0.1344  -0.2327 -0.2277 7   GLU B OE2 
1898 N N   . MET B 8   ? 0.7789 0.6852 0.7884 -0.0214 -0.1844 -0.2009 8   MET B N   
1899 C CA  . MET B 8   ? 0.6824 0.6005 0.6921 -0.0205 -0.1592 -0.2115 8   MET B CA  
1900 C C   . MET B 8   ? 0.6162 0.5573 0.6082 -0.0397 -0.1408 -0.2075 8   MET B C   
1901 O O   . MET B 8   ? 0.6028 0.5615 0.5953 -0.0250 -0.1304 -0.2115 8   MET B O   
1902 C CB  . MET B 8   ? 0.6972 0.5970 0.7200 -0.0396 -0.1471 -0.2123 8   MET B CB  
1903 C CG  . MET B 8   ? 0.7266 0.6082 0.7707 -0.0193 -0.1615 -0.2175 8   MET B CG  
1904 S SD  . MET B 8   ? 0.6744 0.5469 0.7437 -0.0422 -0.1470 -0.2191 8   MET B SD  
1905 C CE  . MET B 8   ? 0.6032 0.4542 0.6896 -0.0192 -0.1732 -0.2231 8   MET B CE  
1915 N N   . LEU B 9   ? 0.5904 0.5280 0.5631 -0.0769 -0.1373 -0.1994 9   LEU B N   
1916 C CA  . LEU B 9   ? 0.6882 0.6430 0.6395 -0.0995 -0.1181 -0.1970 9   LEU B CA  
1917 C C   . LEU B 9   ? 0.6303 0.6154 0.5779 -0.0816 -0.1263 -0.1844 9   LEU B C   
1918 O O   . LEU B 9   ? 0.6792 0.6802 0.6229 -0.0833 -0.1117 -0.1892 9   LEU B O   
1919 C CB  . LEU B 9   ? 0.7375 0.6798 0.6554 -0.1461 -0.1098 -0.1848 9   LEU B CB  
1920 C CG  . LEU B 9   ? 0.8278 0.7498 0.7514 -0.1618 -0.0842 -0.1909 9   LEU B CG  
1921 C CD1 . LEU B 9   ? 0.8705 0.7823 0.7565 -0.2037 -0.0753 -0.1767 9   LEU B CD1 
1922 C CD2 . LEU B 9   ? 0.7987 0.7276 0.7375 -0.1543 -0.0549 -0.2017 9   LEU B CD2 
1934 N N   . ARG B 10  ? 0.6154 0.6092 0.5715 -0.0642 -0.1482 -0.1673 10  ARG B N   
1935 C CA  . ARG B 10  ? 0.6406 0.6699 0.6057 -0.0449 -0.1517 -0.1559 10  ARG B CA  
1936 C C   . ARG B 10  ? 0.5860 0.6268 0.5599 -0.0135 -0.1399 -0.1746 10  ARG B C   
1937 O O   . ARG B 10  ? 0.5663 0.6340 0.5367 -0.0126 -0.1293 -0.1699 10  ARG B O   
1938 C CB  . ARG B 10  ? 0.6026 0.6400 0.5940 -0.0221 -0.1743 -0.1395 10  ARG B CB  
1939 C CG  . ARG B 10  ? 0.7404 0.7860 0.7317 -0.0470 -0.1942 -0.1076 10  ARG B CG  
1940 C CD  . ARG B 10  ? 0.6903 0.7629 0.7295 -0.0126 -0.2105 -0.0926 10  ARG B CD  
1941 N NE  . ARG B 10  ? 0.7112 0.7601 0.7769 0.0250  -0.2151 -0.1101 10  ARG B NE  
1942 C CZ  . ARG B 10  ? 0.7514 0.7621 0.8240 0.0206  -0.2349 -0.1040 10  ARG B CZ  
1943 N NH1 . ARG B 10  ? 0.7697 0.7644 0.8219 -0.0199 -0.2520 -0.0774 10  ARG B NH1 
1944 N NH2 . ARG B 10  ? 0.7197 0.7041 0.8148 0.0542  -0.2379 -0.1251 10  ARG B NH2 
1958 N N   . ALA B 11  ? 0.5422 0.5628 0.5253 0.0108  -0.1450 -0.1926 11  ALA B N   
1959 C CA  . ALA B 11  ? 0.5435 0.5699 0.5243 0.0377  -0.1392 -0.2092 11  ALA B CA  
1960 C C   . ALA B 11  ? 0.5812 0.6095 0.5547 0.0208  -0.1251 -0.2128 11  ALA B C   
1961 O O   . ALA B 11  ? 0.5901 0.6359 0.5562 0.0316  -0.1183 -0.2119 11  ALA B O   
1962 C CB  . ALA B 11  ? 0.5846 0.5813 0.5710 0.0580  -0.1523 -0.2290 11  ALA B CB  
1968 N N   . GLN B 12  ? 0.5771 0.5854 0.5557 -0.0060 -0.1167 -0.2132 12  GLN B N   
1969 C CA  . GLN B 12  ? 0.5373 0.5431 0.5214 -0.0197 -0.0988 -0.2139 12  GLN B CA  
1970 C C   . GLN B 12  ? 0.5624 0.5903 0.5327 -0.0354 -0.0910 -0.2102 12  GLN B C   
1971 O O   . GLN B 12  ? 0.5232 0.5587 0.4968 -0.0314 -0.0842 -0.2092 12  GLN B O   
1972 C CB  . GLN B 12  ? 0.5410 0.5230 0.5360 -0.0436 -0.0846 -0.2146 12  GLN B CB  
1973 C CG  . GLN B 12  ? 0.5177 0.4834 0.5365 -0.0319 -0.0911 -0.2188 12  GLN B CG  
1974 C CD  . GLN B 12  ? 0.5968 0.5471 0.6296 -0.0567 -0.0735 -0.2213 12  GLN B CD  
1975 O OE1 . GLN B 12  ? 0.5946 0.5450 0.6276 -0.0745 -0.0531 -0.2235 12  GLN B OE1 
1976 N NE2 . GLN B 12  ? 0.5314 0.4693 0.5780 -0.0572 -0.0797 -0.2228 12  GLN B NE2 
1985 N N   . THR B 13  ? 0.5726 0.6087 0.5274 -0.0565 -0.0916 -0.1972 13  THR B N   
1986 C CA  . THR B 13  ? 0.5483 0.6047 0.4910 -0.0740 -0.0847 -0.1839 13  THR B CA  
1987 C C   . THR B 13  ? 0.5228 0.6105 0.4728 -0.0465 -0.0886 -0.1732 13  THR B C   
1988 O O   . THR B 13  ? 0.4771 0.5740 0.4266 -0.0502 -0.0789 -0.1698 13  THR B O   
1989 C CB  . THR B 13  ? 0.6016 0.6632 0.5262 -0.1011 -0.0940 -0.1677 13  THR B CB  
1990 O OG1 . THR B 13  ? 0.6374 0.6680 0.5450 -0.1301 -0.0866 -0.1776 13  THR B OG1 
1991 C CG2 . THR B 13  ? 0.6599 0.7426 0.5729 -0.1235 -0.0919 -0.1534 13  THR B CG2 
1999 N N   . ASN B 14  ? 0.4661 0.5685 0.4240 -0.0193 -0.1001 -0.1689 14  ASN B N   
2000 C CA  . ASN B 14  ? 0.4637 0.5999 0.4269 0.0059  -0.0965 -0.1613 14  ASN B CA  
2001 C C   . ASN B 14  ? 0.5327 0.6611 0.4845 0.0182  -0.0890 -0.1708 14  ASN B C   
2002 O O   . ASN B 14  ? 0.5526 0.7026 0.4991 0.0178  -0.0800 -0.1600 14  ASN B O   
2003 C CB  . ASN B 14  ? 0.4590 0.6055 0.4374 0.0355  -0.1055 -0.1628 14  ASN B CB  
2004 C CG  . ASN B 14  ? 0.5273 0.6828 0.5251 0.0221  -0.1196 -0.1449 14  ASN B CG  
2005 O OD1 . ASN B 14  ? 0.4744 0.6393 0.4676 -0.0086 -0.1216 -0.1291 14  ASN B OD1 
2006 N ND2 . ASN B 14  ? 0.6100 0.7563 0.6270 0.0426  -0.1324 -0.1474 14  ASN B ND2 
2013 C C9  . BP5 B 15  ? 0.5970 0.6356 0.5524 0.0449  -0.1193 -0.2130 15  BP5 B C9  
2014 C C8  . BP5 B 15  ? 0.6227 0.6410 0.6129 0.0320  -0.1205 -0.2180 15  BP5 B C8  
2015 C C7  . BP5 B 15  ? 0.6226 0.6296 0.6258 0.0386  -0.1357 -0.2153 15  BP5 B C7  
2016 C C6  . BP5 B 15  ? 0.6296 0.6424 0.5947 0.0542  -0.1510 -0.2073 15  BP5 B C6  
2017 C C5  . BP5 B 15  ? 0.7510 0.7261 0.7367 0.0601  -0.2305 -0.1692 15  BP5 B C5  
2018 C C4  . BP5 B 15  ? 0.7225 0.7152 0.6434 0.0643  -0.2120 -0.1711 15  BP5 B C4  
2019 C C3  . BP5 B 15  ? 0.6925 0.6920 0.6640 0.0577  -0.1748 -0.1980 15  BP5 B C3  
2020 C C2  . BP5 B 15  ? 0.6561 0.6385 0.6876 0.0517  -0.1855 -0.2005 15  BP5 B C2  
2021 C C1  . BP5 B 15  ? 0.7537 0.7253 0.7996 0.0550  -0.2139 -0.1863 15  BP5 B C1  
2022 C C12 . BP5 B 15  ? 0.5969 0.6489 0.5508 0.0389  -0.1098 -0.2111 15  BP5 B C12 
2023 C C11 . BP5 B 15  ? 0.6654 0.7104 0.5899 0.0628  -0.1284 -0.2099 15  BP5 B C11 
2024 N N1  . BP5 B 15  ? 0.7527 0.7595 0.6728 0.0648  -0.1843 -0.1849 15  BP5 B N1  
2025 N N2  . BP5 B 15  ? 0.6398 0.6712 0.5610 0.0652  -0.1442 -0.2062 15  BP5 B N2  
2026 C CA  . BP5 B 15  ? 0.5566 0.6417 0.4990 0.0345  -0.0971 -0.1932 15  BP5 B CA  
2027 C C   . BP5 B 15  ? 0.5058 0.5894 0.4553 0.0130  -0.0876 -0.1831 15  BP5 B C   
2028 O O   . BP5 B 15  ? 0.5376 0.6282 0.4772 0.0183  -0.0873 -0.1729 15  BP5 B O   
2029 N N   . BP5 B 15  ? 0.5156 0.6122 0.4657 0.0251  -0.0955 -0.1878 15  BP5 B N   
2034 N N   . ILE B 16  ? 0.4622 0.5332 0.4256 -0.0130 -0.0793 -0.1861 16  ILE B N   
2035 C CA  . ILE B 16  ? 0.4620 0.5238 0.4361 -0.0326 -0.0684 -0.1819 16  ILE B CA  
2036 C C   . ILE B 16  ? 0.5142 0.6039 0.4754 -0.0433 -0.0621 -0.1615 16  ILE B C   
2037 O O   . ILE B 16  ? 0.5019 0.5912 0.4667 -0.0500 -0.0579 -0.1502 16  ILE B O   
2038 C CB  . ILE B 16  ? 0.5022 0.5404 0.4884 -0.0604 -0.0551 -0.1966 16  ILE B CB  
2039 C CG1 . ILE B 16  ? 0.6466 0.6593 0.6606 -0.0538 -0.0556 -0.2159 16  ILE B CG1 
2040 C CG2 . ILE B 16  ? 0.5541 0.5811 0.5483 -0.0837 -0.0403 -0.1957 16  ILE B CG2 
2041 C CD1 . ILE B 16  ? 0.6707 0.6639 0.6874 -0.0807 -0.0353 -0.2258 16  ILE B CD1 
2053 N N   . LEU B 17  ? 0.5206 0.6337 0.4732 -0.0509 -0.0625 -0.1544 17  LEU B N   
2054 C CA  . LEU B 17  ? 0.5094 0.6551 0.4598 -0.0624 -0.0583 -0.1336 17  LEU B CA  
2055 C C   . LEU B 17  ? 0.4778 0.6495 0.4238 -0.0388 -0.0561 -0.1210 17  LEU B C   
2056 O O   . LEU B 17  ? 0.5428 0.7262 0.4887 -0.0499 -0.0496 -0.1048 17  LEU B O   
2057 C CB  . LEU B 17  ? 0.4842 0.6549 0.4365 -0.0706 -0.0652 -0.1249 17  LEU B CB  
2058 C CG  . LEU B 17  ? 0.5408 0.6894 0.4824 -0.1046 -0.0681 -0.1307 17  LEU B CG  
2059 C CD1 . LEU B 17  ? 0.6006 0.7731 0.5445 -0.1119 -0.0843 -0.1154 17  LEU B CD1 
2060 C CD2 . LEU B 17  ? 0.5931 0.7338 0.5267 -0.1419 -0.0594 -0.1270 17  LEU B CD2 
2072 N N   . LEU B 18  ? 0.4863 0.6637 0.4245 -0.0091 -0.0604 -0.1291 18  LEU B N   
2073 C CA  . LEU B 18  ? 0.5450 0.7451 0.4663 0.0097  -0.0540 -0.1206 18  LEU B CA  
2074 C C   . LEU B 18  ? 0.6214 0.7958 0.5272 0.0074  -0.0585 -0.1166 18  LEU B C   
2075 O O   . LEU B 18  ? 0.6705 0.8617 0.5567 0.0087  -0.0523 -0.1003 18  LEU B O   
2076 C CB  . LEU B 18  ? 0.5264 0.7334 0.4380 0.0403  -0.0554 -0.1359 18  LEU B CB  
2077 C CG  . LEU B 18  ? 0.5753 0.8133 0.5134 0.0473  -0.0517 -0.1339 18  LEU B CG  
2078 C CD1 . LEU B 18  ? 0.6316 0.8558 0.5638 0.0786  -0.0564 -0.1569 18  LEU B CD1 
2079 C CD2 . LEU B 18  ? 0.7136 1.0067 0.6691 0.0484  -0.0342 -0.1151 18  LEU B CD2 
2091 N N   . ASN B 19  ? 0.6520 0.7872 0.5699 0.0028  -0.0695 -0.1285 19  ASN B N   
2092 C CA  . ASN B 19  ? 0.6398 0.7522 0.5579 -0.0009 -0.0775 -0.1187 19  ASN B CA  
2093 C C   . ASN B 19  ? 0.6443 0.7563 0.5779 -0.0259 -0.0684 -0.1006 19  ASN B C   
2094 O O   . ASN B 19  ? 0.6987 0.8061 0.6252 -0.0297 -0.0727 -0.0801 19  ASN B O   
2095 C CB  . ASN B 19  ? 0.5192 0.5956 0.4618 0.0032  -0.0905 -0.1365 19  ASN B CB  
2096 C CG  . ASN B 19  ? 0.6590 0.7282 0.5811 0.0257  -0.1087 -0.1451 19  ASN B CG  
2097 O OD1 . ASN B 19  ? 0.6293 0.6854 0.5429 0.0298  -0.1255 -0.1340 19  ASN B OD1 
2098 N ND2 . ASN B 19  ? 0.6516 0.7267 0.5635 0.0388  -0.1087 -0.1631 19  ASN B ND2 
2105 N N   . VAL B 20  ? 0.5942 0.7060 0.5457 -0.0465 -0.0583 -0.1071 20  VAL B N   
2106 C CA  . VAL B 20  ? 0.6581 0.7672 0.6207 -0.0734 -0.0502 -0.0925 20  VAL B CA  
2107 C C   . VAL B 20  ? 0.7179 0.8656 0.6635 -0.0747 -0.0457 -0.0646 20  VAL B C   
2108 O O   . VAL B 20  ? 0.7370 0.8776 0.6842 -0.0865 -0.0457 -0.0436 20  VAL B O   
2109 C CB  . VAL B 20  ? 0.6377 0.7438 0.6076 -0.0992 -0.0419 -0.1050 20  VAL B CB  
2110 C CG1 . VAL B 20  ? 0.6150 0.7168 0.5921 -0.1291 -0.0355 -0.0918 20  VAL B CG1 
2111 C CG2 . VAL B 20  ? 0.6758 0.7421 0.6597 -0.1031 -0.0388 -0.1339 20  VAL B CG2 
2121 N N   . LEU B 21  ? 0.5887 0.7785 0.5232 -0.0635 -0.0401 -0.0628 21  LEU B N   
2122 C CA  . LEU B 21  ? 0.7232 0.9560 0.6498 -0.0666 -0.0290 -0.0379 21  LEU B CA  
2123 C C   . LEU B 21  ? 0.7616 0.9922 0.6557 -0.0517 -0.0292 -0.0266 21  LEU B C   
2124 O O   . LEU B 21  ? 0.7178 0.9681 0.6016 -0.0640 -0.0203 -0.0005 21  LEU B O   
2125 C CB  . LEU B 21  ? 0.5558 0.8372 0.4918 -0.0556 -0.0204 -0.0398 21  LEU B CB  
2126 C CG  . LEU B 21  ? 0.6088 0.8994 0.5723 -0.0767 -0.0254 -0.0408 21  LEU B CG  
2127 C CD1 . LEU B 21  ? 0.6670 1.0090 0.6515 -0.0604 -0.0209 -0.0374 21  LEU B CD1 
2128 C CD2 . LEU B 21  ? 0.6490 0.9435 0.6255 -0.1132 -0.0236 -0.0209 21  LEU B CD2 
2140 N N   . LYS B 22  ? 0.7105 0.9161 0.5848 -0.0293 -0.0411 -0.0438 22  LYS B N   
2141 C CA  . LYS B 22  ? 0.7653 0.9583 0.6011 -0.0223 -0.0494 -0.0310 22  LYS B CA  
2142 C C   . LYS B 22  ? 0.8319 0.9940 0.6810 -0.0430 -0.0613 -0.0067 22  LYS B C   
2143 O O   . LYS B 22  ? 0.9307 1.0944 0.7487 -0.0497 -0.0643 0.0200  22  LYS B O   
2144 C CB  . LYS B 22  ? 0.8789 1.0458 0.6958 0.0010  -0.0670 -0.0546 22  LYS B CB  
2145 C CG  . LYS B 22  ? 1.0856 1.2361 0.8536 0.0052  -0.0834 -0.0414 22  LYS B CG  
2146 C CD  . LYS B 22  ? 1.0784 1.2017 0.8278 0.0244  -0.1064 -0.0650 22  LYS B CD  
2147 C CE  . LYS B 22  ? 1.2197 1.3663 0.9173 0.0424  -0.0909 -0.0849 22  LYS B CE  
2148 N NZ  . LYS B 22  ? 1.2012 1.3181 0.8645 0.0565  -0.1155 -0.1063 22  LYS B NZ  
2162 N N   . GLN B 23  ? 1.0509 1.1828 0.9450 -0.0552 -0.0666 -0.0153 23  GLN B N   
2163 C CA  . GLN B 23  ? 0.9692 1.0679 0.8874 -0.0740 -0.0754 0.0056  23  GLN B CA  
2164 C C   . GLN B 23  ? 0.9623 1.0831 0.8789 -0.0994 -0.0618 0.0333  23  GLN B C   
2165 O O   . GLN B 23  ? 1.0161 1.1125 0.9419 -0.1150 -0.0702 0.0597  23  GLN B O   
2166 C CB  . GLN B 23  ? 1.1003 1.1598 1.0695 -0.0811 -0.0768 -0.0174 23  GLN B CB  
2167 C CG  . GLN B 23  ? 0.9700 0.9972 0.9629 -0.0626 -0.0933 -0.0351 23  GLN B CG  
2168 C CD  . GLN B 23  ? 1.1263 1.1261 1.1658 -0.0701 -0.0825 -0.0651 23  GLN B CD  
2169 O OE1 . GLN B 23  ? 1.1546 1.1410 1.2155 -0.0560 -0.0880 -0.0863 23  GLN B OE1 
2170 N NE2 . GLN B 23  ? 1.1109 1.1020 1.1642 -0.0952 -0.0657 -0.0685 23  GLN B NE2 
2179 N N   . GLY B 24  ? 0.7589 0.8521 0.7647 -0.1628 -0.0637 -0.0768 24  GLY B N   
2180 C CA  . GLY B 24  ? 0.7931 0.9030 0.8029 -0.1651 -0.0721 -0.0700 24  GLY B CA  
2181 C C   . GLY B 24  ? 0.6670 0.7594 0.6846 -0.1314 -0.0536 -0.0898 24  GLY B C   
2182 O O   . GLY B 24  ? 0.6868 0.7483 0.7143 -0.1030 -0.0458 -0.0970 24  GLY B O   
2186 N N   . ASP B 25  ? 0.6698 0.7873 0.6842 -0.1376 -0.0475 -0.0961 25  ASP B N   
2187 C CA  . ASP B 25  ? 0.6314 0.7357 0.6603 -0.1074 -0.0367 -0.1068 25  ASP B CA  
2188 C C   . ASP B 25  ? 0.5765 0.6471 0.6201 -0.0811 -0.0529 -0.0921 25  ASP B C   
2189 O O   . ASP B 25  ? 0.6242 0.6901 0.6741 -0.0876 -0.0765 -0.0734 25  ASP B O   
2190 C CB  . ASP B 25  ? 0.5816 0.7232 0.6096 -0.1214 -0.0378 -0.1051 25  ASP B CB  
2191 C CG  . ASP B 25  ? 0.5986 0.7873 0.6129 -0.1500 -0.0165 -0.1281 25  ASP B CG  
2192 O OD1 . ASP B 25  ? 0.6035 0.7968 0.6055 -0.1642 -0.0037 -0.1445 25  ASP B OD1 
2193 O OD2 . ASP B 25  ? 0.6849 0.9115 0.7012 -0.1600 -0.0111 -0.1327 25  ASP B OD2 
2198 N N   . ASN B 26  ? 0.6555 0.7058 0.7090 -0.0532 -0.0419 -0.1009 26  ASN B N   
2199 C CA  . ASN B 26  ? 0.5937 0.6202 0.6556 -0.0328 -0.0530 -0.0930 26  ASN B CA  
2200 C C   . ASN B 26  ? 0.5942 0.6143 0.6638 -0.0124 -0.0442 -0.0969 26  ASN B C   
2201 O O   . ASN B 26  ? 0.5607 0.5889 0.6373 -0.0104 -0.0297 -0.1057 26  ASN B O   
2202 C CB  . ASN B 26  ? 0.6197 0.6308 0.6806 -0.0292 -0.0504 -0.0949 26  ASN B CB  
2203 C CG  . ASN B 26  ? 0.5853 0.5864 0.6576 -0.0185 -0.0651 -0.0894 26  ASN B CG  
2204 O OD1 . ASN B 26  ? 0.5098 0.5079 0.5882 -0.0060 -0.0712 -0.0900 26  ASN B OD1 
2205 N ND2 . ASN B 26  ? 0.5657 0.5651 0.6445 -0.0246 -0.0710 -0.0863 26  ASN B ND2 
2212 N N   . TYR B 27  ? 0.6045 0.6141 0.6772 0.0008  -0.0542 -0.0913 27  TYR B N   
2213 C CA  . TYR B 27  ? 0.5895 0.5974 0.6673 0.0150  -0.0510 -0.0888 27  TYR B CA  
2214 C C   . TYR B 27  ? 0.6216 0.6201 0.6966 0.0238  -0.0473 -0.0888 27  TYR B C   
2215 O O   . TYR B 27  ? 0.5546 0.5495 0.6251 0.0219  -0.0494 -0.0930 27  TYR B O   
2216 C CB  . TYR B 27  ? 0.5798 0.5933 0.6581 0.0153  -0.0667 -0.0823 27  TYR B CB  
2217 C CG  . TYR B 27  ? 0.6809 0.6864 0.7590 0.0152  -0.0828 -0.0851 27  TYR B CG  
2218 C CD1 . TYR B 27  ? 0.6598 0.6628 0.7456 0.0045  -0.0957 -0.0833 27  TYR B CD1 
2219 C CD2 . TYR B 27  ? 0.6686 0.6724 0.7442 0.0239  -0.0858 -0.0910 27  TYR B CD2 
2220 C CE1 . TYR B 27  ? 0.6851 0.6784 0.7867 0.0075  -0.1122 -0.0888 27  TYR B CE1 
2221 C CE2 . TYR B 27  ? 0.6991 0.6977 0.7839 0.0255  -0.0981 -0.1030 27  TYR B CE2 
2222 C CZ  . TYR B 27  ? 0.7178 0.7085 0.8205 0.0197  -0.1114 -0.1025 27  TYR B CZ  
2223 O OH  . TYR B 27  ? 0.7937 0.7772 0.9196 0.0242  -0.1247 -0.1167 27  TYR B OH  
2233 N N   . VAL B 28  ? 0.5579 0.5574 0.6391 0.0310  -0.0439 -0.0815 28  VAL B N   
2234 C CA  . VAL B 28  ? 0.5462 0.5437 0.6253 0.0330  -0.0408 -0.0757 28  VAL B CA  
2235 C C   . VAL B 28  ? 0.5345 0.5417 0.5982 0.0312  -0.0460 -0.0814 28  VAL B C   
2236 O O   . VAL B 28  ? 0.5375 0.5472 0.5968 0.0289  -0.0414 -0.0847 28  VAL B O   
2237 C CB  . VAL B 28  ? 0.6003 0.6020 0.6940 0.0366  -0.0435 -0.0592 28  VAL B CB  
2238 C CG1 . VAL B 28  ? 0.5975 0.6095 0.6822 0.0311  -0.0478 -0.0461 28  VAL B CG1 
2239 C CG2 . VAL B 28  ? 0.6645 0.6549 0.7883 0.0413  -0.0354 -0.0594 28  VAL B CG2 
2249 N N   . TYR B 29  ? 0.5313 0.5466 0.5903 0.0319  -0.0550 -0.0860 29  TYR B N   
2250 C CA  . TYR B 29  ? 0.6110 0.6388 0.6631 0.0311  -0.0572 -0.1005 29  TYR B CA  
2251 C C   . TYR B 29  ? 0.5940 0.6143 0.6572 0.0327  -0.0572 -0.1131 29  TYR B C   
2252 O O   . TYR B 29  ? 0.6138 0.6460 0.6780 0.0327  -0.0511 -0.1224 29  TYR B O   
2253 C CB  . TYR B 29  ? 0.6318 0.6654 0.6818 0.0308  -0.0682 -0.1083 29  TYR B CB  
2254 C CG  . TYR B 29  ? 0.6680 0.7183 0.7162 0.0301  -0.0691 -0.1329 29  TYR B CG  
2255 C CD1 . TYR B 29  ? 0.7066 0.7487 0.7770 0.0359  -0.0736 -0.1535 29  TYR B CD1 
2256 C CD2 . TYR B 29  ? 0.6539 0.7323 0.6832 0.0214  -0.0663 -0.1367 29  TYR B CD2 
2257 C CE1 . TYR B 29  ? 0.7363 0.7960 0.8163 0.0378  -0.0722 -0.1842 29  TYR B CE1 
2258 C CE2 . TYR B 29  ? 0.6688 0.7703 0.6968 0.0185  -0.0632 -0.1676 29  TYR B CE2 
2259 C CZ  . TYR B 29  ? 0.7837 0.8751 0.8401 0.0290  -0.0647 -0.1949 29  TYR B CZ  
2260 O OH  . TYR B 29  ? 1.0068 1.1237 1.0721 0.0283  -0.0595 -0.2333 29  TYR B OH  
2270 N N   . GLY B 30  ? 0.5745 0.5806 0.6478 0.0310  -0.0648 -0.1103 30  GLY B N   
2271 C CA  . GLY B 30  ? 0.5558 0.5562 0.6441 0.0282  -0.0702 -0.1144 30  GLY B CA  
2272 C C   . GLY B 30  ? 0.5930 0.5944 0.6762 0.0250  -0.0582 -0.1112 30  GLY B C   
2273 O O   . GLY B 30  ? 0.5334 0.5408 0.6283 0.0260  -0.0582 -0.1181 30  GLY B O   
2277 N N   . ILE B 31  ? 0.5062 0.5025 0.5775 0.0216  -0.0483 -0.1024 31  ILE B N   
2278 C CA  . ILE B 31  ? 0.5172 0.5100 0.5845 0.0166  -0.0384 -0.0996 31  ILE B CA  
2279 C C   . ILE B 31  ? 0.5474 0.5533 0.6125 0.0196  -0.0339 -0.1008 31  ILE B C   
2280 O O   . ILE B 31  ? 0.5470 0.5578 0.6154 0.0157  -0.0314 -0.1021 31  ILE B O   
2281 C CB  . ILE B 31  ? 0.5307 0.5136 0.5959 0.0151  -0.0294 -0.0951 31  ILE B CB  
2282 C CG1 . ILE B 31  ? 0.5609 0.5434 0.6274 0.0081  -0.0300 -0.0992 31  ILE B CG1 
2283 C CG2 . ILE B 31  ? 0.5538 0.5285 0.6183 0.0093  -0.0209 -0.0932 31  ILE B CG2 
2284 C CD1 . ILE B 31  ? 0.5801 0.5604 0.6560 0.0112  -0.0205 -0.1024 31  ILE B CD1 
2296 N N   . ILE B 32  ? 0.5095 0.5271 0.5680 0.0230  -0.0331 -0.0984 32  ILE B N   
2297 C CA  . ILE B 32  ? 0.4507 0.4919 0.5021 0.0190  -0.0283 -0.0972 32  ILE B CA  
2298 C C   . ILE B 32  ? 0.5656 0.6260 0.6267 0.0217  -0.0273 -0.1169 32  ILE B C   
2299 O O   . ILE B 32  ? 0.4846 0.5619 0.5478 0.0172  -0.0211 -0.1181 32  ILE B O   
2300 C CB  . ILE B 32  ? 0.4655 0.5238 0.5059 0.0155  -0.0307 -0.0886 32  ILE B CB  
2301 C CG1 . ILE B 32  ? 0.4693 0.5099 0.5153 0.0131  -0.0332 -0.0647 32  ILE B CG1 
2302 C CG2 . ILE B 32  ? 0.5091 0.6063 0.5384 0.0061  -0.0262 -0.0934 32  ILE B CG2 
2303 C CD1 . ILE B 32  ? 0.5314 0.5865 0.5747 0.0082  -0.0411 -0.0482 32  ILE B CD1 
2315 N N   . LYS B 33  ? 0.5459 0.6028 0.6204 0.0291  -0.0348 -0.1324 33  LYS B N   
2316 C CA  . LYS B 33  ? 0.5424 0.6148 0.6420 0.0348  -0.0360 -0.1550 33  LYS B CA  
2317 C C   . LYS B 33  ? 0.5308 0.5933 0.6505 0.0339  -0.0393 -0.1491 33  LYS B C   
2318 O O   . LYS B 33  ? 0.5327 0.6169 0.6711 0.0357  -0.0344 -0.1603 33  LYS B O   
2319 C CB  . LYS B 33  ? 0.5606 0.6255 0.6790 0.0424  -0.0478 -0.1718 33  LYS B CB  
2320 C CG  . LYS B 33  ? 0.6892 0.7847 0.8044 0.0436  -0.0412 -0.1984 33  LYS B CG  
2321 C CD  . LYS B 33  ? 0.9744 1.0575 1.1189 0.0520  -0.0550 -0.2206 33  LYS B CD  
2322 C CE  . LYS B 33  ? 1.1932 1.3086 1.3349 0.0510  -0.0472 -0.2555 33  LYS B CE  
2323 N NZ  . LYS B 33  ? 1.4946 1.5908 1.6676 0.0585  -0.0635 -0.2783 33  LYS B NZ  
2337 N N   . GLN B 34  ? 0.5302 0.5667 0.6465 0.0282  -0.0468 -0.1319 34  GLN B N   
2338 C CA  . GLN B 34  ? 0.5448 0.5767 0.6776 0.0214  -0.0523 -0.1236 34  GLN B CA  
2339 C C   . GLN B 34  ? 0.5281 0.5716 0.6488 0.0152  -0.0398 -0.1178 34  GLN B C   
2340 O O   . GLN B 34  ? 0.5907 0.6471 0.7323 0.0134  -0.0411 -0.1186 34  GLN B O   
2341 C CB  . GLN B 34  ? 0.6333 0.6452 0.7573 0.0089  -0.0612 -0.1076 34  GLN B CB  
2342 C CG  . GLN B 34  ? 0.7417 0.7466 0.8904 0.0042  -0.0833 -0.1018 34  GLN B CG  
2343 C CD  . GLN B 34  ? 0.7833 0.7837 0.9148 -0.0181 -0.0888 -0.0838 34  GLN B CD  
2344 O OE1 . GLN B 34  ? 0.7281 0.7283 0.8339 -0.0277 -0.0748 -0.0821 34  GLN B OE1 
2345 N NE2 . GLN B 34  ? 0.8143 0.8147 0.9634 -0.0293 -0.1107 -0.0716 34  GLN B NE2 
2354 N N   . VAL B 35  ? 0.5213 0.5602 0.6139 0.0108  -0.0301 -0.1094 35  VAL B N   
2355 C CA  . VAL B 35  ? 0.5051 0.5521 0.5878 0.0022  -0.0219 -0.1001 35  VAL B CA  
2356 C C   . VAL B 35  ? 0.5261 0.6113 0.6158 0.0044  -0.0154 -0.1092 35  VAL B C   
2357 O O   . VAL B 35  ? 0.4329 0.5353 0.5291 -0.0021 -0.0118 -0.1057 35  VAL B O   
2358 C CB  . VAL B 35  ? 0.5073 0.5374 0.5707 -0.0028 -0.0178 -0.0875 35  VAL B CB  
2359 C CG1 . VAL B 35  ? 0.4104 0.4506 0.4675 -0.0131 -0.0136 -0.0748 35  VAL B CG1 
2360 C CG2 . VAL B 35  ? 0.5461 0.5467 0.6065 -0.0077 -0.0190 -0.0858 35  VAL B CG2 
2370 N N   . LYS B 36  ? 0.5014 0.6063 0.5891 0.0106  -0.0128 -0.1226 36  LYS B N   
2371 C CA  . LYS B 36  ? 0.4387 0.5908 0.5336 0.0097  -0.0036 -0.1392 36  LYS B CA  
2372 C C   . LYS B 36  ? 0.4672 0.6317 0.6023 0.0181  -0.0045 -0.1568 36  LYS B C   
2373 O O   . LYS B 36  ? 0.4843 0.6831 0.6295 0.0133  0.0037  -0.1602 36  LYS B O   
2374 C CB  . LYS B 36  ? 0.4992 0.6726 0.5867 0.0126  -0.0010 -0.1576 36  LYS B CB  
2375 C CG  . LYS B 36  ? 0.5686 0.8017 0.6601 0.0069  0.0123  -0.1804 36  LYS B CG  
2376 C CD  . LYS B 36  ? 0.5302 0.7873 0.6070 0.0041  0.0152  -0.1999 36  LYS B CD  
2377 C CE  . LYS B 36  ? 0.6978 1.0219 0.7820 -0.0023 0.0312  -0.2350 36  LYS B CE  
2378 N NZ  . LYS B 36  ? 0.7244 1.0765 0.7829 -0.0130 0.0338  -0.2514 36  LYS B NZ  
2392 N N   . GLU B 37  ? 0.4742 0.6138 0.6383 0.0293  -0.0169 -0.1654 37  GLU B N   
2393 C CA  . GLU B 37  ? 0.4683 0.6178 0.6852 0.0377  -0.0235 -0.1781 37  GLU B CA  
2394 C C   . GLU B 37  ? 0.4479 0.5949 0.6681 0.0269  -0.0260 -0.1549 37  GLU B C   
2395 O O   . GLU B 37  ? 0.4319 0.6107 0.6802 0.0277  -0.0207 -0.1615 37  GLU B O   
2396 C CB  . GLU B 37  ? 0.5870 0.7050 0.8370 0.0460  -0.0439 -0.1802 37  GLU B CB  
2397 C CG  . GLU B 37  ? 0.6882 0.8113 0.9617 0.0598  -0.0462 -0.2118 37  GLU B CG  
2398 C CD  . GLU B 37  ? 0.8438 0.9323 1.1561 0.0650  -0.0725 -0.2077 37  GLU B CD  
2399 O OE1 . GLU B 37  ? 0.8713 0.9422 1.2066 0.0581  -0.0905 -0.1826 37  GLU B OE1 
2400 O OE2 . GLU B 37  ? 0.9499 1.0311 1.2664 0.0719  -0.0770 -0.2266 37  GLU B OE2 
2407 N N   . ALA B 38  ? 0.3863 0.4994 0.5775 0.0151  -0.0327 -0.1296 38  ALA B N   
2408 C CA  . ALA B 38  ? 0.4914 0.5993 0.6825 0.0009  -0.0371 -0.1090 38  ALA B CA  
2409 C C   . ALA B 38  ? 0.4978 0.6292 0.6698 -0.0079 -0.0234 -0.1032 38  ALA B C   
2410 O O   . ALA B 38  ? 0.4465 0.5845 0.6274 -0.0189 -0.0264 -0.0899 38  ALA B O   
2411 C CB  . ALA B 38  ? 0.5128 0.5848 0.6732 -0.0133 -0.0439 -0.0908 38  ALA B CB  
2417 N N   . SER B 39  ? 0.3896 0.5352 0.5353 -0.0075 -0.0115 -0.1081 39  SER B N   
2418 C CA  . SER B 39  ? 0.4543 0.6256 0.5820 -0.0207 -0.0025 -0.0966 39  SER B CA  
2419 C C   . SER B 39  ? 0.4014 0.6323 0.5508 -0.0171 0.0087  -0.1160 39  SER B C   
2420 O O   . SER B 39  ? 0.4003 0.6666 0.5324 -0.0310 0.0169  -0.1078 39  SER B O   
2421 C CB  . SER B 39  ? 0.4259 0.5821 0.5172 -0.0284 -0.0007 -0.0832 39  SER B CB  
2422 O OG  . SER B 39  ? 0.4110 0.5890 0.4970 -0.0214 0.0041  -0.0978 39  SER B OG  
2428 N N   . ASN B 40  ? 0.3842 0.6288 0.5742 -0.0001 0.0084  -0.1433 40  ASN B N   
2429 C CA  . ASN B 40  ? 0.4267 0.7313 0.6466 0.0063  0.0220  -0.1741 40  ASN B CA  
2430 C C   . ASN B 40  ? 0.4667 0.8112 0.6476 -0.0057 0.0360  -0.1805 40  ASN B C   
2431 O O   . ASN B 40  ? 0.4152 0.8228 0.5980 -0.0160 0.0503  -0.1914 40  ASN B O   
2432 C CB  . ASN B 40  ? 0.4220 0.7595 0.6726 0.0014  0.0249  -0.1687 40  ASN B CB  
2433 C CG  . ASN B 40  ? 0.3957 0.7016 0.6913 0.0107  0.0079  -0.1616 40  ASN B CG  
2434 O OD1 . ASN B 40  ? 0.4447 0.7426 0.7882 0.0290  0.0001  -0.1835 40  ASN B OD1 
2435 N ND2 . ASN B 40  ? 0.4424 0.7306 0.7272 -0.0039 -0.0007 -0.1303 40  ASN B ND2 
2442 N N   . GLY B 41  ? 0.4461 0.7582 0.5925 -0.0073 0.0305  -0.1716 41  GLY B N   
2443 C CA  . GLY B 41  ? 0.4613 0.8075 0.5730 -0.0205 0.0382  -0.1740 41  GLY B CA  
2444 C C   . GLY B 41  ? 0.4340 0.7889 0.5075 -0.0454 0.0357  -0.1357 41  GLY B C   
2445 O O   . GLY B 41  ? 0.4505 0.8352 0.4952 -0.0617 0.0371  -0.1288 41  GLY B O   
2449 N N   . GLU B 42  ? 0.4291 0.7589 0.5040 -0.0515 0.0292  -0.1088 42  GLU B N   
2450 C CA  . GLU B 42  ? 0.4438 0.7774 0.4928 -0.0759 0.0229  -0.0712 42  GLU B CA  
2451 C C   . GLU B 42  ? 0.4511 0.7255 0.4830 -0.0783 0.0083  -0.0433 42  GLU B C   
2452 O O   . GLU B 42  ? 0.4734 0.7527 0.4914 -0.0991 -0.0006 -0.0115 42  GLU B O   
2453 C CB  . GLU B 42  ? 0.4896 0.8221 0.5513 -0.0827 0.0216  -0.0577 42  GLU B CB  
2454 C CG  . GLU B 42  ? 0.4528 0.8592 0.5336 -0.0875 0.0358  -0.0764 42  GLU B CG  
2455 C CD  . GLU B 42  ? 0.4648 0.9417 0.5209 -0.1123 0.0430  -0.0713 42  GLU B CD  
2456 O OE1 . GLU B 42  ? 0.4806 0.9724 0.5179 -0.1390 0.0351  -0.0351 42  GLU B OE1 
2457 O OE2 . GLU B 42  ? 0.5026 1.0168 0.5552 -0.1088 0.0535  -0.1002 42  GLU B OE2 
2464 N N   . MET B 43  ? 0.5049 0.7293 0.5430 -0.0589 0.0046  -0.0542 43  MET B N   
2465 C CA  . MET B 43  ? 0.4755 0.6502 0.5066 -0.0576 -0.0062 -0.0355 43  MET B CA  
2466 C C   . MET B 43  ? 0.4536 0.6258 0.4826 -0.0441 -0.0053 -0.0528 43  MET B C   
2467 O O   . MET B 43  ? 0.4317 0.5809 0.4720 -0.0275 -0.0041 -0.0725 43  MET B O   
2468 C CB  . MET B 43  ? 0.5020 0.6238 0.5429 -0.0513 -0.0099 -0.0337 43  MET B CB  
2469 C CG  . MET B 43  ? 0.5351 0.6089 0.5783 -0.0488 -0.0178 -0.0216 43  MET B CG  
2470 S SD  . MET B 43  ? 0.5907 0.6140 0.6419 -0.0480 -0.0180 -0.0278 43  MET B SD  
2471 C CE  . MET B 43  ? 0.6274 0.6548 0.6793 -0.0697 -0.0238 -0.0042 43  MET B CE  
2481 N N   . GLU B 44  ? 0.5229 0.7245 0.5376 -0.0549 -0.0077 -0.0439 44  GLU B N   
2482 C CA  . GLU B 44  ? 0.5586 0.7607 0.5680 -0.0469 -0.0089 -0.0563 44  GLU B CA  
2483 C C   . GLU B 44  ? 0.6249 0.7964 0.6344 -0.0515 -0.0225 -0.0252 44  GLU B C   
2484 O O   . GLU B 44  ? 0.6095 0.8055 0.6113 -0.0720 -0.0316 0.0032  44  GLU B O   
2485 C CB  . GLU B 44  ? 0.5919 0.8599 0.5855 -0.0604 -0.0013 -0.0717 44  GLU B CB  
2486 C CG  . GLU B 44  ? 0.6619 0.9639 0.6695 -0.0535 0.0135  -0.1070 44  GLU B CG  
2487 C CD  . GLU B 44  ? 0.7509 1.1329 0.7449 -0.0717 0.0262  -0.1282 44  GLU B CD  
2488 O OE1 . GLU B 44  ? 0.6651 1.0723 0.6339 -0.0883 0.0224  -0.1209 44  GLU B OE1 
2489 O OE2 . GLU B 44  ? 0.6403 1.0640 0.6514 -0.0707 0.0402  -0.1536 44  GLU B OE2 
2496 N N   . LEU B 45  ? 0.5387 0.6609 0.5620 -0.0346 -0.0254 -0.0288 45  LEU B N   
2497 C CA  . LEU B 45  ? 0.5464 0.6378 0.5837 -0.0346 -0.0365 -0.0050 45  LEU B CA  
2498 C C   . LEU B 45  ? 0.5884 0.6970 0.6193 -0.0358 -0.0426 -0.0004 45  LEU B C   
2499 O O   . LEU B 45  ? 0.4813 0.6053 0.4995 -0.0291 -0.0364 -0.0251 45  LEU B O   
2500 C CB  . LEU B 45  ? 0.5673 0.6109 0.6214 -0.0181 -0.0329 -0.0184 45  LEU B CB  
2501 C CG  . LEU B 45  ? 0.6335 0.6670 0.6884 -0.0226 -0.0278 -0.0222 45  LEU B CG  
2502 C CD1 . LEU B 45  ? 0.6417 0.6435 0.7032 -0.0118 -0.0221 -0.0422 45  LEU B CD1 
2503 C CD2 . LEU B 45  ? 0.6900 0.7115 0.7578 -0.0357 -0.0361 0.0029  45  LEU B CD2 
2515 N N   . ASN B 46  ? 0.6195 0.7272 0.6628 -0.0466 -0.0571 0.0326  46  ASN B N   
2516 C CA  . ASN B 46  ? 0.6327 0.7524 0.6763 -0.0496 -0.0671 0.0451  46  ASN B CA  
2517 C C   . ASN B 46  ? 0.6543 0.7307 0.7245 -0.0271 -0.0672 0.0371  46  ASN B C   
2518 O O   . ASN B 46  ? 0.5834 0.6230 0.6791 -0.0156 -0.0642 0.0334  46  ASN B O   
2519 C CB  . ASN B 46  ? 0.6237 0.7648 0.6780 -0.0744 -0.0876 0.0916  46  ASN B CB  
2520 C CG  . ASN B 46  ? 0.8249 1.0349 0.8407 -0.1060 -0.0891 0.1005  46  ASN B CG  
2521 O OD1 . ASN B 46  ? 0.9063 1.1514 0.9001 -0.1172 -0.0911 0.0977  46  ASN B OD1 
2522 N ND2 . ASN B 46  ? 0.7272 0.9612 0.7339 -0.1233 -0.0875 0.1096  46  ASN B ND2 
2529 N N   . GLU B 47  ? 0.6293 0.7145 0.6934 -0.0231 -0.0699 0.0323  47  GLU B N   
2530 C CA  . GLU B 47  ? 0.5083 0.5619 0.5988 -0.0046 -0.0696 0.0264  47  GLU B CA  
2531 C C   . GLU B 47  ? 0.6159 0.6492 0.7538 -0.0027 -0.0812 0.0543  47  GLU B C   
2532 O O   . GLU B 47  ? 0.4952 0.4989 0.6650 0.0134  -0.0752 0.0421  47  GLU B O   
2533 C CB  . GLU B 47  ? 0.6522 0.7218 0.7287 -0.0037 -0.0734 0.0207  47  GLU B CB  
2534 C CG  . GLU B 47  ? 0.6091 0.6906 0.6537 -0.0020 -0.0643 -0.0120 47  GLU B CG  
2535 C CD  . GLU B 47  ? 0.7540 0.8439 0.7894 -0.0010 -0.0701 -0.0198 47  GLU B CD  
2536 O OE1 . GLU B 47  ? 0.6969 0.7905 0.7440 -0.0044 -0.0805 0.0025  47  GLU B OE1 
2537 O OE2 . GLU B 47  ? 0.6975 0.7913 0.7182 0.0019  -0.0666 -0.0469 47  GLU B OE2 
2544 N N   . ALA B 48  ? 0.5988 0.6509 0.7471 -0.0207 -0.0990 0.0914  48  ALA B N   
2545 C CA  . ALA B 48  ? 0.5864 0.6166 0.7950 -0.0180 -0.1153 0.1210  48  ALA B CA  
2546 C C   . ALA B 48  ? 0.6070 0.6004 0.8460 -0.0096 -0.1099 0.1114  48  ALA B C   
2547 O O   . ALA B 48  ? 0.5505 0.5115 0.8447 0.0065  -0.1102 0.1054  48  ALA B O   
2548 C CB  . ALA B 48  ? 0.6836 0.7457 0.8972 -0.0460 -0.1410 0.1702  48  ALA B CB  
2554 N N   . THR B 49  ? 0.6001 0.6014 0.8058 -0.0217 -0.1045 0.1073  49  THR B N   
2555 C CA  . THR B 49  ? 0.6123 0.5812 0.8350 -0.0175 -0.0982 0.0950  49  THR B CA  
2556 C C   . THR B 49  ? 0.5635 0.5038 0.7934 0.0043  -0.0777 0.0526  49  THR B C   
2557 O O   . THR B 49  ? 0.6186 0.5260 0.8930 0.0142  -0.0756 0.0411  49  THR B O   
2558 C CB  . THR B 49  ? 0.5622 0.5547 0.7381 -0.0339 -0.0921 0.0928  49  THR B CB  
2559 O OG1 . THR B 49  ? 0.5919 0.6243 0.7553 -0.0601 -0.1093 0.1307  49  THR B OG1 
2560 C CG2 . THR B 49  ? 0.5838 0.5443 0.7775 -0.0337 -0.0895 0.0862  49  THR B CG2 
2568 N N   . LEU B 50  ? 0.5423 0.4985 0.7302 0.0093  -0.0635 0.0281  50  LEU B N   
2569 C CA  . LEU B 50  ? 0.6392 0.5802 0.8251 0.0225  -0.0465 -0.0071 50  LEU B CA  
2570 C C   . LEU B 50  ? 0.6392 0.5677 0.8701 0.0363  -0.0455 -0.0137 50  LEU B C   
2571 O O   . LEU B 50  ? 0.6509 0.5633 0.9002 0.0432  -0.0324 -0.0412 50  LEU B O   
2572 C CB  . LEU B 50  ? 0.5665 0.5293 0.7091 0.0228  -0.0400 -0.0218 50  LEU B CB  
2573 C CG  . LEU B 50  ? 0.5963 0.5516 0.7243 0.0263  -0.0268 -0.0508 50  LEU B CG  
2574 C CD1 . LEU B 50  ? 0.5558 0.5288 0.6528 0.0244  -0.0270 -0.0587 50  LEU B CD1 
2575 C CD2 . LEU B 50  ? 0.7435 0.6935 0.8973 0.0357  -0.0228 -0.0609 50  LEU B CD2 
2587 N N   . TYR B 51  ? 0.5966 0.5384 0.8455 0.0382  -0.0584 0.0093  51  TYR B N   
2588 C CA  . TYR B 51  ? 0.6736 0.6104 0.9708 0.0526  -0.0569 0.0027  51  TYR B CA  
2589 C C   . TYR B 51  ? 0.6125 0.5213 0.9758 0.0595  -0.0602 0.0020  51  TYR B C   
2590 O O   . TYR B 51  ? 0.5786 0.4778 0.9787 0.0724  -0.0461 -0.0286 51  TYR B O   
2591 C CB  . TYR B 51  ? 0.6764 0.6364 0.9785 0.0508  -0.0726 0.0313  51  TYR B CB  
2592 C CG  . TYR B 51  ? 0.5400 0.5029 0.8944 0.0660  -0.0716 0.0268  51  TYR B CG  
2593 C CD1 . TYR B 51  ? 0.5582 0.5247 0.9111 0.0761  -0.0515 -0.0095 51  TYR B CD1 
2594 C CD2 . TYR B 51  ? 0.5484 0.5164 0.9560 0.0668  -0.0923 0.0616  51  TYR B CD2 
2595 C CE1 . TYR B 51  ? 0.6124 0.5902 1.0170 0.0889  -0.0486 -0.0155 51  TYR B CE1 
2596 C CE2 . TYR B 51  ? 0.6185 0.5928 1.0815 0.0814  -0.0916 0.0580  51  TYR B CE2 
2597 C CZ  . TYR B 51  ? 0.6042 0.5849 1.0663 0.0936  -0.0680 0.0172  51  TYR B CZ  
2598 O OH  . TYR B 51  ? 0.6260 0.6215 1.1475 0.1077  -0.0653 0.0116  51  TYR B OH  
2608 N N   . THR B 52  ? 0.5870 0.4848 0.9684 0.0490  -0.0788 0.0333  52  THR B N   
2609 C CA  . THR B 52  ? 0.6604 0.5246 1.1139 0.0553  -0.0856 0.0321  52  THR B CA  
2610 C C   . THR B 52  ? 0.6878 0.5313 1.1352 0.0605  -0.0619 -0.0159 52  THR B C   
2611 O O   . THR B 52  ? 0.7151 0.5396 1.2208 0.0740  -0.0521 -0.0469 52  THR B O   
2612 C CB  . THR B 52  ? 0.7024 0.5592 1.1675 0.0368  -0.1119 0.0764  52  THR B CB  
2613 O OG1 . THR B 52  ? 0.7259 0.6093 1.1964 0.0251  -0.1364 0.1244  52  THR B OG1 
2614 C CG2 . THR B 52  ? 0.7777 0.5917 1.3278 0.0440  -0.1223 0.0732  52  THR B CG2 
2622 N N   . ILE B 53  ? 0.7105 0.5608 1.0906 0.0478  -0.0526 -0.0238 53  ILE B N   
2623 C CA  . ILE B 53  ? 0.7140 0.5491 1.0826 0.0464  -0.0330 -0.0641 53  ILE B CA  
2624 C C   . ILE B 53  ? 0.7778 0.6257 1.1504 0.0567  -0.0112 -0.1043 53  ILE B C   
2625 O O   . ILE B 53  ? 0.7018 0.5374 1.1078 0.0605  0.0033  -0.1416 53  ILE B O   
2626 C CB  . ILE B 53  ? 0.7550 0.6018 1.0537 0.0308  -0.0288 -0.0614 53  ILE B CB  
2627 C CG1 . ILE B 53  ? 0.7181 0.5586 1.0199 0.0180  -0.0487 -0.0242 53  ILE B CG1 
2628 C CG2 . ILE B 53  ? 0.8660 0.7040 1.1485 0.0254  -0.0101 -0.1000 53  ILE B CG2 
2629 C CD1 . ILE B 53  ? 0.6599 0.5310 0.9012 0.0054  -0.0501 -0.0076 53  ILE B CD1 
2641 N N   . PHE B 54  ? 0.7085 0.5856 1.0460 0.0584  -0.0085 -0.0993 54  PHE B N   
2642 C CA  . PHE B 54  ? 0.8499 0.7473 1.1830 0.0618  0.0109  -0.1336 54  PHE B CA  
2643 C C   . PHE B 54  ? 0.8243 0.7214 1.2319 0.0781  0.0162  -0.1504 54  PHE B C   
2644 O O   . PHE B 54  ? 0.7416 0.6537 1.1628 0.0789  0.0372  -0.1913 54  PHE B O   
2645 C CB  . PHE B 54  ? 0.6543 0.5805 0.9405 0.0586  0.0089  -0.1226 54  PHE B CB  
2646 C CG  . PHE B 54  ? 0.6706 0.6026 0.8961 0.0448  0.0084  -0.1199 54  PHE B CG  
2647 C CD1 . PHE B 54  ? 0.7034 0.6211 0.9122 0.0342  0.0124  -0.1282 54  PHE B CD1 
2648 C CD2 . PHE B 54  ? 0.6378 0.5899 0.8284 0.0418  0.0032  -0.1112 54  PHE B CD2 
2649 C CE1 . PHE B 54  ? 0.6635 0.5894 0.8257 0.0225  0.0102  -0.1238 54  PHE B CE1 
2650 C CE2 . PHE B 54  ? 0.7290 0.6856 0.8775 0.0310  0.0007  -0.1102 54  PHE B CE2 
2651 C CZ  . PHE B 54  ? 0.6717 0.6166 0.8079 0.0221  0.0041  -0.1153 54  PHE B CZ  
2661 N N   . LYS B 55  ? 0.6669 0.5532 1.1266 0.0890  -0.0030 -0.1195 55  LYS B N   
2662 C CA  . LYS B 55  ? 0.7213 0.6034 1.2710 0.1070  -0.0010 -0.1345 55  LYS B CA  
2663 C C   . LYS B 55  ? 0.8023 0.6576 1.4001 0.1103  0.0117  -0.1753 55  LYS B C   
2664 O O   . LYS B 55  ? 0.7642 0.6312 1.4081 0.1200  0.0330  -0.2223 55  LYS B O   
2665 C CB  . LYS B 55  ? 0.6223 0.4949 1.2244 0.1136  -0.0310 -0.0845 55  LYS B CB  
2666 C CG  . LYS B 55  ? 0.6544 0.5589 1.2297 0.1124  -0.0412 -0.0534 55  LYS B CG  
2667 C CD  . LYS B 55  ? 0.7185 0.6188 1.3629 0.1171  -0.0711 -0.0065 55  LYS B CD  
2668 C CE  . LYS B 55  ? 0.6865 0.5740 1.3064 0.0979  -0.0974 0.0405  55  LYS B CE  
2669 N NZ  . LYS B 55  ? 0.6815 0.5732 1.3600 0.0929  -0.1324 0.0968  55  LYS B NZ  
2683 N N   . ARG B 56  ? 0.9367 0.7588 1.5286 0.1009  -0.0013 -0.1602 56  ARG B N   
2684 C CA  . ARG B 56  ? 0.9485 0.7421 1.5847 0.1018  0.0095  -0.2014 56  ARG B CA  
2685 C C   . ARG B 56  ? 0.9514 0.7715 1.5367 0.0904  0.0426  -0.2559 56  ARG B C   
2686 O O   . ARG B 56  ? 0.9949 0.8306 1.6088 0.0897  0.0599  -0.2959 56  ARG B O   
2687 C CB  . ARG B 56  ? 1.0393 0.7956 1.6680 0.0887  -0.0117 -0.1721 56  ARG B CB  
2688 C CG  . ARG B 56  ? 0.9952 0.7284 1.6931 0.0936  -0.0481 -0.1187 56  ARG B CG  
2689 C CD  . ARG B 56  ? 1.1138 0.8128 1.8165 0.0772  -0.0743 -0.0832 56  ARG B CD  
2690 N NE  . ARG B 56  ? 1.2205 0.9005 1.9492 0.0733  -0.0672 -0.1175 56  ARG B NE  
2691 C CZ  . ARG B 56  ? 1.3736 1.0257 2.0993 0.0574  -0.0835 -0.1001 56  ARG B CZ  
2692 N NH1 . ARG B 56  ? 1.3724 1.0152 2.0719 0.0410  -0.1086 -0.0460 56  ARG B NH1 
2693 N NH2 . ARG B 56  ? 1.2346 0.8715 1.9830 0.0554  -0.0745 -0.1373 56  ARG B NH2 
2707 N N   . LEU B 57  ? 0.9585 0.8008 1.4549 0.0743  0.0480  -0.2468 57  LEU B N   
2708 C CA  . LEU B 57  ? 0.9752 0.8436 1.4204 0.0560  0.0731  -0.2890 57  LEU B CA  
2709 C C   . LEU B 57  ? 0.8994 0.8128 1.3568 0.0588  0.0951  -0.3241 57  LEU B C   
2710 O O   . LEU B 57  ? 0.8938 0.8330 1.3433 0.0442  0.1177  -0.3690 57  LEU B O   
2711 C CB  . LEU B 57  ? 0.8583 0.7384 1.2156 0.0371  0.0660  -0.2605 57  LEU B CB  
2712 C CG  . LEU B 57  ? 0.8306 0.6804 1.1641 0.0253  0.0543  -0.2432 57  LEU B CG  
2713 C CD1 . LEU B 57  ? 0.7757 0.6387 1.0437 0.0151  0.0433  -0.2084 57  LEU B CD1 
2714 C CD2 . LEU B 57  ? 1.0074 0.8548 1.3324 0.0074  0.0719  -0.2869 57  LEU B CD2 
2726 N N   . GLU B 58  ? 0.9851 0.9177 1.4522 0.0717  0.0868  -0.2979 58  GLU B N   
2727 C CA  . GLU B 58  ? 0.9470 0.9250 1.4376 0.0756  0.1060  -0.3282 58  GLU B CA  
2728 C C   . GLU B 58  ? 0.8951 0.8734 1.4668 0.0879  0.1153  -0.3585 58  GLU B C   
2729 O O   . GLU B 58  ? 0.8651 0.8862 1.4418 0.0783  0.1379  -0.3986 58  GLU B O   
2730 C CB  . GLU B 58  ? 0.8938 0.8908 1.3792 0.0853  0.0911  -0.2880 58  GLU B CB  
2731 C CG  . GLU B 58  ? 0.8466 0.9008 1.3408 0.0829  0.1102  -0.3140 58  GLU B CG  
2732 C CD  . GLU B 58  ? 0.8035 0.8810 1.2543 0.0789  0.0945  -0.2728 58  GLU B CD  
2733 O OE1 . GLU B 58  ? 0.7834 0.8341 1.1947 0.0778  0.0717  -0.2305 58  GLU B OE1 
2734 O OE2 . GLU B 58  ? 0.7330 0.8576 1.1924 0.0761  0.1051  -0.2847 58  GLU B OE2 
2741 N N   . LYS B 59  ? 0.9034 0.8398 1.5337 0.1027  0.0953  -0.3360 59  LYS B N   
2742 C CA  . LYS B 59  ? 0.9646 0.9046 1.6721 0.1108  0.1010  -0.3632 59  LYS B CA  
2743 C C   . LYS B 59  ? 1.0287 0.9727 1.7236 0.0934  0.1202  -0.4102 59  LYS B C   
2744 O O   . LYS B 59  ? 0.7652 0.7207 1.5204 0.0968  0.1308  -0.4458 59  LYS B O   
2745 C CB  . LYS B 59  ? 0.9553 0.8546 1.7388 0.1276  0.0715  -0.3263 59  LYS B CB  
2746 C CG  . LYS B 59  ? 1.0829 0.9980 1.9582 0.1403  0.0761  -0.3505 59  LYS B CG  
2747 C CD  . LYS B 59  ? 1.1062 0.9842 2.0689 0.1524  0.0449  -0.3167 59  LYS B CD  
2748 C CE  . LYS B 59  ? 1.0943 0.9360 2.0738 0.1450  0.0377  -0.3272 59  LYS B CE  
2749 N NZ  . LYS B 59  ? 0.9667 0.7780 2.0419 0.1537  0.0057  -0.2965 59  LYS B NZ  
2763 N N   . ASP B 60  ? 0.9529 0.8862 1.5758 0.0741  0.1230  -0.4102 60  ASP B N   
2764 C CA  . ASP B 60  ? 0.9129 0.8539 1.5178 0.0537  0.1401  -0.4514 60  ASP B CA  
2765 C C   . ASP B 60  ? 0.8841 0.8824 1.4269 0.0269  0.1661  -0.4851 60  ASP B C   
2766 O O   . ASP B 60  ? 0.9224 0.9365 1.4473 0.0052  0.1812  -0.5197 60  ASP B O   
2767 C CB  . ASP B 60  ? 0.9623 0.8574 1.5308 0.0442  0.1250  -0.4298 60  ASP B CB  
2768 C CG  . ASP B 60  ? 1.0292 0.8753 1.6672 0.0607  0.1021  -0.4093 60  ASP B CG  
2769 O OD1 . ASP B 60  ? 1.0240 0.8596 1.7130 0.0810  0.0846  -0.3783 60  ASP B OD1 
2770 O OD2 . ASP B 60  ? 1.0266 0.8479 1.6711 0.0516  0.1000  -0.4228 60  ASP B OD2 
2775 N N   . GLY B 61  ? 0.7953 0.8294 1.3085 0.0251  0.1706  -0.4758 61  GLY B N   
2776 C CA  . GLY B 61  ? 0.8638 0.9563 1.3160 -0.0064 0.1906  -0.5006 61  GLY B CA  
2777 C C   . GLY B 61  ? 0.8295 0.9163 1.1985 -0.0321 0.1848  -0.4832 61  GLY B C   
2778 O O   . GLY B 61  ? 0.8367 0.9745 1.1515 -0.0646 0.1965  -0.4962 61  GLY B O   
2782 N N   . ILE B 62  ? 0.8436 0.8736 1.2026 -0.0222 0.1651  -0.4521 62  ILE B N   
2783 C CA  . ILE B 62  ? 0.8623 0.8862 1.1471 -0.0459 0.1569  -0.4335 62  ILE B CA  
2784 C C   . ILE B 62  ? 0.8887 0.9349 1.1336 -0.0479 0.1461  -0.4001 62  ILE B C   
2785 O O   . ILE B 62  ? 0.8444 0.9232 1.0290 -0.0773 0.1433  -0.3888 62  ILE B O   
2786 C CB  . ILE B 62  ? 0.8163 0.7780 1.1070 -0.0358 0.1380  -0.4085 62  ILE B CB  
2787 C CG1 . ILE B 62  ? 0.9808 0.9239 1.3209 -0.0312 0.1435  -0.4329 62  ILE B CG1 
2788 C CG2 . ILE B 62  ? 0.6556 0.6169 0.8759 -0.0620 0.1284  -0.3871 62  ILE B CG2 
2789 C CD1 . ILE B 62  ? 1.0031 0.8909 1.3494 -0.0277 0.1253  -0.4114 62  ILE B CD1 
2801 N N   . ILE B 63  ? 0.7915 0.8262 1.0720 -0.0192 0.1353  -0.3748 63  ILE B N   
2802 C CA  . ILE B 63  ? 0.7731 0.8204 1.0199 -0.0173 0.1173  -0.3302 63  ILE B CA  
2803 C C   . ILE B 63  ? 0.7460 0.8297 1.0251 -0.0066 0.1258  -0.3395 63  ILE B C   
2804 O O   . ILE B 63  ? 0.7759 0.8567 1.1213 0.0134  0.1377  -0.3656 63  ILE B O   
2805 C CB  . ILE B 63  ? 0.7911 0.7907 1.0459 0.0040  0.0935  -0.2866 63  ILE B CB  
2806 C CG1 . ILE B 63  ? 0.8659 0.8404 1.0821 -0.0104 0.0851  -0.2745 63  ILE B CG1 
2807 C CG2 . ILE B 63  ? 0.7413 0.7492 0.9743 0.0102  0.0764  -0.2484 63  ILE B CG2 
2808 C CD1 . ILE B 63  ? 0.8011 0.8043 0.9576 -0.0395 0.0843  -0.2711 63  ILE B CD1 
2820 N N   . SER B 64  ? 0.7075 0.8237 0.9473 -0.0191 0.1169  -0.3157 64  SER B N   
2821 C CA  . SER B 64  ? 0.7507 0.9025 1.0143 -0.0109 0.1194  -0.3134 64  SER B CA  
2822 C C   . SER B 64  ? 0.6469 0.7827 0.8859 -0.0032 0.0920  -0.2626 64  SER B C   
2823 O O   . SER B 64  ? 0.6964 0.8107 0.8930 -0.0117 0.0755  -0.2374 64  SER B O   
2824 C CB  . SER B 64  ? 0.6264 0.8474 0.8652 -0.0428 0.1366  -0.3396 64  SER B CB  
2825 O OG  . SER B 64  ? 0.7857 1.0369 1.0182 -0.0439 0.1254  -0.3132 64  SER B OG  
2831 N N   . SER B 65  ? 0.5377 0.6871 0.8055 0.0118  0.0873  -0.2499 65  SER B N   
2832 C CA  . SER B 65  ? 0.5929 0.7328 0.8362 0.0153  0.0625  -0.2076 65  SER B CA  
2833 C C   . SER B 65  ? 0.6409 0.8276 0.8839 0.0060  0.0618  -0.2031 65  SER B C   
2834 O O   . SER B 65  ? 0.5778 0.8038 0.8570 0.0067  0.0810  -0.2295 65  SER B O   
2835 C CB  . SER B 65  ? 0.6030 0.7049 0.8790 0.0418  0.0487  -0.1833 65  SER B CB  
2836 O OG  . SER B 65  ? 0.7137 0.8237 1.0565 0.0606  0.0575  -0.1948 65  SER B OG  
2842 N N   . TYR B 66  ? 0.6195 0.8033 0.8256 -0.0029 0.0388  -0.1705 66  TYR B N   
2843 C CA  . TYR B 66  ? 0.5851 0.8098 0.7876 -0.0148 0.0318  -0.1586 66  TYR B CA  
2844 C C   . TYR B 66  ? 0.6525 0.8530 0.8302 -0.0136 0.0020  -0.1215 66  TYR B C   
2845 O O   . TYR B 66  ? 0.5379 0.6970 0.6986 -0.0059 -0.0102 -0.1097 66  TYR B O   
2846 C CB  . TYR B 66  ? 0.5504 0.8243 0.7236 -0.0500 0.0387  -0.1708 66  TYR B CB  
2847 C CG  . TYR B 66  ? 0.6711 0.9269 0.7976 -0.0717 0.0189  -0.1515 66  TYR B CG  
2848 C CD1 . TYR B 66  ? 0.6610 0.8968 0.7720 -0.0777 0.0266  -0.1656 66  TYR B CD1 
2849 C CD2 . TYR B 66  ? 0.6378 0.8944 0.7423 -0.0861 -0.0101 -0.1181 66  TYR B CD2 
2850 C CE1 . TYR B 66  ? 0.6518 0.8732 0.7293 -0.0967 0.0060  -0.1446 66  TYR B CE1 
2851 C CE2 . TYR B 66  ? 0.6400 0.8781 0.7167 -0.1037 -0.0317 -0.0994 66  TYR B CE2 
2852 C CZ  . TYR B 66  ? 0.6176 0.8400 0.6825 -0.1083 -0.0234 -0.1117 66  TYR B CZ  
2853 O OH  . TYR B 66  ? 0.6733 0.8809 0.7200 -0.1252 -0.0462 -0.0910 66  TYR B OH  
2863 N N   . TRP B 67  ? 0.5110 0.7400 0.6915 -0.0206 -0.0085 -0.1061 67  TRP B N   
2864 C CA  . TRP B 67  ? 0.6046 0.8147 0.7647 -0.0229 -0.0371 -0.0760 67  TRP B CA  
2865 C C   . TRP B 67  ? 0.6634 0.8954 0.7949 -0.0535 -0.0544 -0.0630 67  TRP B C   
2866 O O   . TRP B 67  ? 0.6002 0.8831 0.7332 -0.0748 -0.0472 -0.0671 67  TRP B O   
2867 C CB  . TRP B 67  ? 0.6396 0.8607 0.8271 -0.0098 -0.0422 -0.0625 67  TRP B CB  
2868 C CG  . TRP B 67  ? 0.5856 0.7820 0.8056 0.0168  -0.0339 -0.0650 67  TRP B CG  
2869 C CD1 . TRP B 67  ? 0.6149 0.8249 0.8835 0.0315  -0.0133 -0.0826 67  TRP B CD1 
2870 C CD2 . TRP B 67  ? 0.5812 0.7397 0.7929 0.0283  -0.0488 -0.0477 67  TRP B CD2 
2871 N NE1 . TRP B 67  ? 0.6224 0.8002 0.9154 0.0507  -0.0188 -0.0710 67  TRP B NE1 
2872 C CE2 . TRP B 67  ? 0.6190 0.7694 0.8722 0.0465  -0.0396 -0.0488 67  TRP B CE2 
2873 C CE3 . TRP B 67  ? 0.7088 0.8429 0.8850 0.0231  -0.0688 -0.0339 67  TRP B CE3 
2874 C CZ2 . TRP B 67  ? 0.5975 0.7213 0.8505 0.0545  -0.0517 -0.0303 67  TRP B CZ2 
2875 C CZ3 . TRP B 67  ? 0.6089 0.7207 0.7836 0.0326  -0.0761 -0.0230 67  TRP B CZ3 
2876 C CH2 . TRP B 67  ? 0.5542 0.6634 0.7633 0.0456  -0.0686 -0.0182 67  TRP B CH2 
2887 N N   . GLY B 68  ? 0.6747 0.8722 0.7858 -0.0571 -0.0782 -0.0473 68  GLY B N   
2888 C CA  . GLY B 68  ? 0.7949 1.0029 0.8889 -0.0860 -0.1016 -0.0301 68  GLY B CA  
2889 C C   . GLY B 68  ? 1.0122 1.2014 1.1076 -0.0866 -0.1323 -0.0078 68  GLY B C   
2890 O O   . GLY B 68  ? 0.7949 0.9446 0.8923 -0.0659 -0.1388 -0.0100 68  GLY B O   
2894 N N   . ASP B 69  ? 0.9226 1.1434 1.0168 -0.1134 -0.1515 0.0125  69  ASP B N   
2895 C CA  . ASP B 69  ? 0.8360 1.0427 0.9352 -0.1184 -0.1829 0.0341  69  ASP B CA  
2896 C C   . ASP B 69  ? 0.8871 1.0701 0.9923 -0.0921 -0.1799 0.0286  69  ASP B C   
2897 O O   . ASP B 69  ? 0.9041 1.0955 1.0133 -0.0991 -0.1975 0.0445  69  ASP B O   
2898 C CB  . ASP B 69  ? 1.0187 1.1868 1.1218 -0.1272 -0.2158 0.0461  69  ASP B CB  
2899 C CG  . ASP B 69  ? 1.2054 1.4031 1.3091 -0.1663 -0.2392 0.0720  69  ASP B CG  
2900 O OD1 . ASP B 69  ? 1.0471 1.2743 1.1443 -0.1826 -0.2390 0.0887  69  ASP B OD1 
2901 O OD2 . ASP B 69  ? 1.5596 1.7401 1.6637 -0.1717 -0.2426 0.0740  69  ASP B OD2 
2906 N N   . ARG B 76  ? 0.6476 0.7358 0.7499 -0.0049 -0.1195 -0.0273 76  ARG B N   
2907 C CA  . ARG B 76  ? 0.7306 0.8027 0.8302 0.0048  -0.1040 -0.0405 76  ARG B CA  
2908 C C   . ARG B 76  ? 0.6809 0.7661 0.7915 0.0053  -0.0825 -0.0498 76  ARG B C   
2909 O O   . ARG B 76  ? 0.6888 0.7957 0.7995 -0.0090 -0.0797 -0.0522 76  ARG B O   
2910 C CB  . ARG B 76  ? 0.7366 0.7877 0.8250 0.0000  -0.1156 -0.0479 76  ARG B CB  
2911 C CG  . ARG B 76  ? 0.7158 0.7558 0.8014 0.0034  -0.1030 -0.0589 76  ARG B CG  
2912 C CD  . ARG B 76  ? 0.7038 0.7285 0.7909 -0.0027 -0.1208 -0.0619 76  ARG B CD  
2913 N NE  . ARG B 76  ? 0.6767 0.6867 0.7651 0.0061  -0.1303 -0.0716 76  ARG B NE  
2914 C CZ  . ARG B 76  ? 0.7093 0.7054 0.8126 0.0038  -0.1489 -0.0783 76  ARG B CZ  
2915 N NH1 . ARG B 76  ? 0.7843 0.7774 0.9033 -0.0090 -0.1657 -0.0674 76  ARG B NH1 
2916 N NH2 . ARG B 76  ? 0.7362 0.7242 0.8430 0.0125  -0.1518 -0.0968 76  ARG B NH2 
2929 N N   . LYS B 77  ? 0.6605 0.7349 0.7813 0.0191  -0.0685 -0.0551 77  LYS B N   
2930 C CA  . LYS B 77  ? 0.6153 0.6955 0.7539 0.0226  -0.0478 -0.0691 77  LYS B CA  
2931 C C   . LYS B 77  ? 0.7013 0.7684 0.8220 0.0153  -0.0424 -0.0810 77  LYS B C   
2932 O O   . LYS B 77  ? 0.6362 0.6813 0.7438 0.0193  -0.0479 -0.0787 77  LYS B O   
2933 C CB  . LYS B 77  ? 0.5704 0.6395 0.7357 0.0389  -0.0412 -0.0651 77  LYS B CB  
2934 C CG  . LYS B 77  ? 0.5653 0.6408 0.7674 0.0457  -0.0213 -0.0825 77  LYS B CG  
2935 C CD  . LYS B 77  ? 0.6056 0.6662 0.8474 0.0613  -0.0228 -0.0709 77  LYS B CD  
2936 C CE  . LYS B 77  ? 0.6974 0.7586 0.9895 0.0707  -0.0045 -0.0935 77  LYS B CE  
2937 N NZ  . LYS B 77  ? 0.7508 0.7907 1.0912 0.0840  -0.0107 -0.0798 77  LYS B NZ  
2951 N N   . TYR B 78  ? 0.6440 0.7304 0.7647 0.0023  -0.0306 -0.0947 78  TYR B N   
2952 C CA  . TYR B 78  ? 0.6726 0.7527 0.7765 -0.0097 -0.0259 -0.1043 78  TYR B CA  
2953 C C   . TYR B 78  ? 0.6794 0.7618 0.8011 -0.0057 -0.0023 -0.1272 78  TYR B C   
2954 O O   . TYR B 78  ? 0.5188 0.6197 0.6686 0.0005  0.0110  -0.1396 78  TYR B O   
2955 C CB  . TYR B 78  ? 0.6762 0.7826 0.7620 -0.0373 -0.0356 -0.0996 78  TYR B CB  
2956 C CG  . TYR B 78  ? 0.7289 0.8272 0.8067 -0.0434 -0.0639 -0.0775 78  TYR B CG  
2957 C CD1 . TYR B 78  ? 0.6897 0.7976 0.7735 -0.0425 -0.0765 -0.0653 78  TYR B CD1 
2958 C CD2 . TYR B 78  ? 0.7322 0.8135 0.8030 -0.0509 -0.0792 -0.0699 78  TYR B CD2 
2959 C CE1 . TYR B 78  ? 0.6746 0.7707 0.7568 -0.0485 -0.1036 -0.0491 78  TYR B CE1 
2960 C CE2 . TYR B 78  ? 0.6391 0.7097 0.7156 -0.0546 -0.1060 -0.0544 78  TYR B CE2 
2961 C CZ  . TYR B 78  ? 0.6383 0.7146 0.7201 -0.0536 -0.1183 -0.0452 78  TYR B CZ  
2962 O OH  . TYR B 78  ? 0.7267 0.7878 0.8199 -0.0576 -0.1467 -0.0331 78  TYR B OH  
2972 N N   . TYR B 79  ? 0.5005 0.5635 0.6119 -0.0085 0.0021  -0.1339 79  TYR B N   
2973 C CA  . TYR B 79  ? 0.5600 0.6201 0.6856 -0.0091 0.0219  -0.1583 79  TYR B CA  
2974 C C   . TYR B 79  ? 0.5713 0.6494 0.6687 -0.0372 0.0260  -0.1693 79  TYR B C   
2975 O O   . TYR B 79  ? 0.5132 0.5907 0.5856 -0.0503 0.0093  -0.1509 79  TYR B O   
2976 C CB  . TYR B 79  ? 0.5879 0.6112 0.7268 0.0077  0.0210  -0.1531 79  TYR B CB  
2977 C CG  . TYR B 79  ? 0.5078 0.5187 0.6811 0.0296  0.0163  -0.1400 79  TYR B CG  
2978 C CD1 . TYR B 79  ? 0.5234 0.5298 0.6859 0.0362  -0.0004 -0.1144 79  TYR B CD1 
2979 C CD2 . TYR B 79  ? 0.5701 0.5757 0.7912 0.0414  0.0271  -0.1537 79  TYR B CD2 
2980 C CE1 . TYR B 79  ? 0.5247 0.5262 0.7155 0.0495  -0.0075 -0.0977 79  TYR B CE1 
2981 C CE2 . TYR B 79  ? 0.6166 0.6122 0.8745 0.0577  0.0175  -0.1346 79  TYR B CE2 
2982 C CZ  . TYR B 79  ? 0.5532 0.5490 0.7922 0.0595  -0.0004 -0.1040 79  TYR B CZ  
2983 O OH  . TYR B 79  ? 0.5524 0.5440 0.8285 0.0702  -0.0122 -0.0808 79  TYR B OH  
2993 N N   . ARG B 80  ? 0.5495 0.6467 0.6551 -0.0482 0.0470  -0.2001 80  ARG B N   
2994 C CA  . ARG B 80  ? 0.5701 0.7000 0.6465 -0.0830 0.0528  -0.2131 80  ARG B CA  
2995 C C   . ARG B 80  ? 0.7190 0.8402 0.8040 -0.0868 0.0734  -0.2469 80  ARG B C   
2996 O O   . ARG B 80  ? 0.7230 0.8282 0.8481 -0.0648 0.0879  -0.2695 80  ARG B O   
2997 C CB  . ARG B 80  ? 0.8026 0.9899 0.8747 -0.1045 0.0596  -0.2225 80  ARG B CB  
2998 C CG  . ARG B 80  ? 0.9224 1.1588 0.9721 -0.1435 0.0761  -0.2503 80  ARG B CG  
2999 C CD  . ARG B 80  ? 0.8469 1.1513 0.8904 -0.1689 0.0814  -0.2553 80  ARG B CD  
3000 N NE  . ARG B 80  ? 1.0715 1.4325 1.0982 -0.2061 0.1052  -0.2936 80  ARG B NE  
3001 C CZ  . ARG B 80  ? 0.8705 1.2478 0.9270 -0.1976 0.1388  -0.3474 80  ARG B CZ  
3002 N NH1 . ARG B 80  ? 0.9740 1.3172 1.0852 -0.1536 0.1500  -0.3643 80  ARG B NH1 
3003 N NH2 . ARG B 80  ? 0.9862 1.4160 1.0215 -0.2359 0.1604  -0.3861 80  ARG B NH2 
3017 N N   . LEU B 81  ? 0.7539 0.8819 0.8064 -0.1148 0.0712  -0.2477 81  LEU B N   
3018 C CA  . LEU B 81  ? 0.9441 1.0713 0.9995 -0.1264 0.0914  -0.2847 81  LEU B CA  
3019 C C   . LEU B 81  ? 0.9381 1.1242 0.9905 -0.1523 0.1136  -0.3226 81  LEU B C   
3020 O O   . LEU B 81  ? 0.8489 1.0833 0.8674 -0.1857 0.1068  -0.3102 81  LEU B O   
3021 C CB  . LEU B 81  ? 0.8191 0.9365 0.8396 -0.1504 0.0803  -0.2706 81  LEU B CB  
3022 C CG  . LEU B 81  ? 0.8990 1.0172 0.9167 -0.1685 0.0997  -0.3098 81  LEU B CG  
3023 C CD1 . LEU B 81  ? 0.7807 0.8533 0.8472 -0.1335 0.1112  -0.3323 81  LEU B CD1 
3024 C CD2 . LEU B 81  ? 1.0264 1.1365 1.0095 -0.1932 0.0847  -0.2879 81  LEU B CD2 
3036 N N   . THR B 82  ? 0.9034 1.0895 0.9961 -0.1387 0.1391  -0.3689 82  THR B N   
3037 C CA  . THR B 82  ? 0.9286 1.1793 1.0246 -0.1620 0.1652  -0.4137 82  THR B CA  
3038 C C   . THR B 82  ? 0.9364 1.2228 0.9846 -0.2105 0.1734  -0.4343 82  THR B C   
3039 O O   . THR B 82  ? 0.8660 1.1164 0.8947 -0.2172 0.1636  -0.4239 82  THR B O   
3040 C CB  . THR B 82  ? 0.9151 1.1557 1.0812 -0.1315 0.1907  -0.4636 82  THR B CB  
3041 O OG1 . THR B 82  ? 0.9021 1.0968 1.0900 -0.1230 0.1913  -0.4739 82  THR B OG1 
3042 C CG2 . THR B 82  ? 0.9457 1.1499 1.1580 -0.0875 0.1763  -0.4325 82  THR B CG2 
3050 N N   . GLU B 83  ? 0.8813 1.5263 1.2604 -0.3944 0.3109  -0.3493 83  GLU B N   
3051 C CA  . GLU B 83  ? 0.9828 1.6285 1.2834 -0.4063 0.3396  -0.3366 83  GLU B CA  
3052 C C   . GLU B 83  ? 0.8882 1.5596 1.2040 -0.3654 0.3274  -0.3649 83  GLU B C   
3053 O O   . GLU B 83  ? 0.9962 1.6265 1.2359 -0.3506 0.3192  -0.3401 83  GLU B O   
3054 C CB  . GLU B 83  ? 1.0323 1.7364 1.3332 -0.4605 0.3952  -0.3510 83  GLU B CB  
3055 C CG  . GLU B 83  ? 1.1390 1.8273 1.3354 -0.4881 0.4252  -0.3283 83  GLU B CG  
3056 C CD  . GLU B 83  ? 1.2796 1.9961 1.4517 -0.5422 0.4695  -0.3340 83  GLU B CD  
3057 O OE1 . GLU B 83  ? 1.3414 2.0863 1.5746 -0.5587 0.4782  -0.3505 83  GLU B OE1 
3058 O OE2 . GLU B 83  ? 1.3486 2.0471 1.4350 -0.5623 0.4868  -0.3208 83  GLU B OE2 
3065 N N   . ILE B 84  ? 0.8047 1.5391 1.2225 -0.3447 0.3199  -0.4158 84  ILE B N   
3066 C CA  . ILE B 84  ? 0.7610 1.5135 1.1990 -0.3026 0.2996  -0.4432 84  ILE B CA  
3067 C C   . ILE B 84  ? 0.7493 1.4275 1.1546 -0.2627 0.2451  -0.4155 84  ILE B C   
3068 O O   . ILE B 84  ? 0.7365 1.4037 1.1151 -0.2326 0.2283  -0.4179 84  ILE B O   
3069 C CB  . ILE B 84  ? 0.6767 1.5122 1.2414 -0.2889 0.2989  -0.5070 84  ILE B CB  
3070 C CG1 . ILE B 84  ? 0.7119 1.5345 1.3549 -0.2778 0.2569  -0.5126 84  ILE B CG1 
3071 C CG2 . ILE B 84  ? 0.7163 1.6127 1.2963 -0.3223 0.3527  -0.5360 84  ILE B CG2 
3072 C CD1 . ILE B 84  ? 0.6234 1.5080 1.3955 -0.2550 0.2368  -0.5714 84  ILE B CD1 
3084 N N   . GLY B 85  ? 0.8485 1.4798 1.2629 -0.2626 0.2168  -0.3952 85  GLY B N   
3085 C CA  . GLY B 85  ? 0.7750 1.3358 1.1547 -0.2310 0.1705  -0.3723 85  GLY B CA  
3086 C C   . GLY B 85  ? 0.9497 1.4558 1.2292 -0.2262 0.1753  -0.3315 85  GLY B C   
3087 O O   . GLY B 85  ? 0.9513 1.4330 1.2043 -0.1954 0.1510  -0.3280 85  GLY B O   
3091 N N   . HIS B 86  ? 0.7705 1.2559 0.9957 -0.2580 0.2038  -0.3000 86  HIS B N   
3092 C CA  . HIS B 86  ? 0.9592 1.3903 1.0960 -0.2552 0.2040  -0.2602 86  HIS B CA  
3093 C C   . HIS B 86  ? 0.9179 1.3749 1.0353 -0.2348 0.2063  -0.2739 86  HIS B C   
3094 O O   . HIS B 86  ? 0.8613 1.2782 0.9418 -0.2064 0.1816  -0.2580 86  HIS B O   
3095 C CB  . HIS B 86  ? 0.8847 1.3012 0.9713 -0.2987 0.2350  -0.2302 86  HIS B CB  
3096 C CG  . HIS B 86  ? 1.1546 1.4986 1.1590 -0.2979 0.2244  -0.1829 86  HIS B CG  
3097 N ND1 . HIS B 86  ? 1.0708 1.3738 1.0279 -0.3329 0.2350  -0.1465 86  HIS B ND1 
3098 C CD2 . HIS B 86  ? 1.1537 1.4588 1.1210 -0.2670 0.2013  -0.1667 86  HIS B CD2 
3099 C CE1 . HIS B 86  ? 1.1077 1.3492 1.0069 -0.3218 0.2168  -0.1109 86  HIS B CE1 
3100 N NE2 . HIS B 86  ? 1.0755 1.3194 0.9816 -0.2818 0.1978  -0.1230 86  HIS B NE2 
3108 N N   . GLU B 87  ? 0.9715 1.4985 1.1195 -0.2487 0.2362  -0.3081 87  GLU B N   
3109 C CA  . GLU B 87  ? 0.9265 1.4781 1.0524 -0.2324 0.2413  -0.3237 87  GLU B CA  
3110 C C   . GLU B 87  ? 0.8660 1.4239 1.0387 -0.1863 0.2025  -0.3496 87  GLU B C   
3111 O O   . GLU B 87  ? 0.9193 1.4485 1.0481 -0.1616 0.1832  -0.3369 87  GLU B O   
3112 C CB  . GLU B 87  ? 1.0666 1.6927 1.2148 -0.2620 0.2878  -0.3594 87  GLU B CB  
3113 C CG  . GLU B 87  ? 1.0728 1.6902 1.1592 -0.3145 0.3270  -0.3332 87  GLU B CG  
3114 C CD  . GLU B 87  ? 1.1533 1.7085 1.1293 -0.3235 0.3233  -0.2863 87  GLU B CD  
3115 O OE1 . GLU B 87  ? 1.1656 1.6878 1.1170 -0.2868 0.2924  -0.2746 87  GLU B OE1 
3116 O OE2 . GLU B 87  ? 1.3545 1.8940 1.2684 -0.3701 0.3501  -0.2615 87  GLU B OE2 
3123 N N   . ASN B 88  ? 0.7999 1.3901 1.0605 -0.1760 0.1861  -0.3837 88  ASN B N   
3124 C CA  . ASN B 88  ? 0.7767 1.3618 1.0786 -0.1368 0.1409  -0.4047 88  ASN B CA  
3125 C C   . ASN B 88  ? 0.8220 1.3304 1.0575 -0.1168 0.1081  -0.3660 88  ASN B C   
3126 O O   . ASN B 88  ? 0.6765 1.1725 0.9073 -0.0870 0.0775  -0.3731 88  ASN B O   
3127 C CB  . ASN B 88  ? 0.8494 1.4534 1.2417 -0.1365 0.1185  -0.4313 88  ASN B CB  
3128 C CG  . ASN B 88  ? 0.8093 1.4728 1.2944 -0.1153 0.1011  -0.4849 88  ASN B CG  
3129 O OD1 . ASN B 88  ? 0.6959 1.3487 1.1796 -0.0844 0.0683  -0.4950 88  ASN B OD1 
3130 N ND2 . ASN B 88  ? 0.7662 1.4954 1.3376 -0.1329 0.1236  -0.5214 88  ASN B ND2 
3137 N N   . MET B 89  ? 0.7528 1.2094 0.9415 -0.1332 0.1134  -0.3273 89  MET B N   
3138 C CA  . MET B 89  ? 0.7788 1.1656 0.9158 -0.1161 0.0864  -0.2957 89  MET B CA  
3139 C C   . MET B 89  ? 0.7455 1.1034 0.8088 -0.1143 0.0979  -0.2632 89  MET B C   
3140 O O   . MET B 89  ? 0.7180 1.0268 0.7470 -0.0960 0.0760  -0.2427 89  MET B O   
3141 C CB  . MET B 89  ? 0.6504 0.9915 0.7841 -0.1325 0.0826  -0.2749 89  MET B CB  
3142 C CG  . MET B 89  ? 0.6948 1.0558 0.8968 -0.1371 0.0665  -0.3027 89  MET B CG  
3143 S SD  . MET B 89  ? 0.6878 1.0554 0.9297 -0.1052 0.0189  -0.3346 89  MET B SD  
3144 C CE  . MET B 89  ? 0.6649 0.9514 0.8298 -0.0900 -0.0036 -0.3019 89  MET B CE  
3154 N N   . ARG B 90  ? 0.7037 1.0880 0.7412 -0.1357 0.1304  -0.2581 90  ARG B N   
3155 C CA  . ARG B 90  ? 0.8087 1.1517 0.7725 -0.1409 0.1357  -0.2197 90  ARG B CA  
3156 C C   . ARG B 90  ? 0.8490 1.1682 0.7871 -0.1072 0.1083  -0.2133 90  ARG B C   
3157 O O   . ARG B 90  ? 0.8506 1.1153 0.7536 -0.0988 0.0935  -0.1815 90  ARG B O   
3158 C CB  . ARG B 90  ? 0.9072 1.2824 0.8383 -0.1721 0.1713  -0.2193 90  ARG B CB  
3159 C CG  . ARG B 90  ? 1.2831 1.6040 1.1343 -0.1854 0.1710  -0.1731 90  ARG B CG  
3160 C CD  . ARG B 90  ? 1.2251 1.5630 1.0218 -0.2238 0.2026  -0.1664 90  ARG B CD  
3161 N NE  . ARG B 90  ? 1.3433 1.7086 1.1492 -0.2668 0.2363  -0.1733 90  ARG B NE  
3162 C CZ  . ARG B 90  ? 1.2974 1.6240 1.0910 -0.2913 0.2369  -0.1438 90  ARG B CZ  
3163 N NH1 . ARG B 90  ? 1.2595 1.5163 1.0291 -0.2783 0.2075  -0.1051 90  ARG B NH1 
3164 N NH2 . ARG B 90  ? 1.1774 1.5366 0.9857 -0.3309 0.2684  -0.1550 90  ARG B NH2 
3178 N N   . LEU B 91  ? 0.7063 1.0663 0.6649 -0.0885 0.1016  -0.2444 91  LEU B N   
3179 C CA  . LEU B 91  ? 0.7859 1.1247 0.7144 -0.0602 0.0769  -0.2367 91  LEU B CA  
3180 C C   . LEU B 91  ? 0.7725 1.0675 0.7099 -0.0385 0.0440  -0.2282 91  LEU B C   
3181 O O   . LEU B 91  ? 0.6723 0.9260 0.5727 -0.0260 0.0300  -0.2028 91  LEU B O   
3182 C CB  . LEU B 91  ? 0.7542 1.1442 0.7069 -0.0447 0.0740  -0.2749 91  LEU B CB  
3183 C CG  . LEU B 91  ? 0.7094 1.0805 0.6387 -0.0139 0.0431  -0.2720 91  LEU B CG  
3184 C CD1 . LEU B 91  ? 0.8328 1.1648 0.6921 -0.0168 0.0451  -0.2327 91  LEU B CD1 
3185 C CD2 . LEU B 91  ? 0.8011 1.2261 0.7610 -0.0004 0.0417  -0.3151 91  LEU B CD2 
3197 N N   . ALA B 92  ? 0.6889 0.9910 0.6748 -0.0372 0.0317  -0.2498 92  ALA B N   
3198 C CA  . ALA B 92  ? 0.6797 0.9364 0.6651 -0.0250 0.0034  -0.2438 92  ALA B CA  
3199 C C   . ALA B 92  ? 0.7270 0.9312 0.6791 -0.0355 0.0131  -0.2091 92  ALA B C   
3200 O O   . ALA B 92  ? 0.6481 0.8110 0.5791 -0.0233 -0.0023 -0.1963 92  ALA B O   
3201 C CB  . ALA B 92  ? 0.6182 0.8871 0.6563 -0.0293 -0.0123 -0.2711 92  ALA B CB  
3207 N N   . PHE B 93  ? 0.6809 0.8861 0.6304 -0.0593 0.0388  -0.1951 93  PHE B N   
3208 C CA  . PHE B 93  ? 0.7347 0.8876 0.6586 -0.0686 0.0450  -0.1631 93  PHE B CA  
3209 C C   . PHE B 93  ? 0.7169 0.8448 0.6003 -0.0581 0.0418  -0.1358 93  PHE B C   
3210 O O   . PHE B 93  ? 0.6987 0.7814 0.5728 -0.0488 0.0324  -0.1187 93  PHE B O   
3211 C CB  . PHE B 93  ? 0.7017 0.8587 0.6290 -0.0990 0.0690  -0.1526 93  PHE B CB  
3212 C CG  . PHE B 93  ? 0.7639 0.9295 0.7321 -0.1117 0.0696  -0.1718 93  PHE B CG  
3213 C CD1 . PHE B 93  ? 0.7079 0.8484 0.6920 -0.1000 0.0477  -0.1844 93  PHE B CD1 
3214 C CD2 . PHE B 93  ? 0.8313 1.0289 0.8193 -0.1386 0.0913  -0.1774 93  PHE B CD2 
3215 C CE1 . PHE B 93  ? 0.6781 0.8205 0.6955 -0.1132 0.0431  -0.2003 93  PHE B CE1 
3216 C CE2 . PHE B 93  ? 0.8269 1.0323 0.8578 -0.1509 0.0888  -0.1947 93  PHE B CE2 
3217 C CZ  . PHE B 93  ? 0.7201 0.8967 0.7657 -0.1374 0.0626  -0.2056 93  PHE B CZ  
3227 N N   . GLU B 94  ? 0.7418 0.8973 0.6024 -0.0620 0.0506  -0.1320 94  GLU B N   
3228 C CA  . GLU B 94  ? 0.8085 0.9371 0.6294 -0.0538 0.0422  -0.1047 94  GLU B CA  
3229 C C   . GLU B 94  ? 0.7193 0.8340 0.5447 -0.0235 0.0179  -0.1099 94  GLU B C   
3230 O O   . GLU B 94  ? 0.7457 0.8193 0.5636 -0.0140 0.0073  -0.0887 94  GLU B O   
3231 C CB  . GLU B 94  ? 0.9035 1.0644 0.6926 -0.0660 0.0548  -0.1050 94  GLU B CB  
3232 C CG  . GLU B 94  ? 1.0503 1.2230 0.8272 -0.1037 0.0825  -0.0987 94  GLU B CG  
3233 C CD  . GLU B 94  ? 1.2696 1.4793 1.0108 -0.1236 0.1027  -0.1066 94  GLU B CD  
3234 O OE1 . GLU B 94  ? 1.2340 1.4624 0.9635 -0.1054 0.0944  -0.1196 94  GLU B OE1 
3235 O OE2 . GLU B 94  ? 1.2964 1.5164 1.0198 -0.1604 0.1285  -0.1020 94  GLU B OE2 
3242 N N   . SER B 95  ? 0.6391 0.7864 0.4826 -0.0095 0.0077  -0.1401 95  SER B N   
3243 C CA  . SER B 95  ? 0.7276 0.8611 0.5708 0.0144  -0.0169 -0.1462 95  SER B CA  
3244 C C   . SER B 95  ? 0.7212 0.8123 0.5748 0.0152  -0.0222 -0.1413 95  SER B C   
3245 O O   . SER B 95  ? 0.6744 0.7369 0.5181 0.0274  -0.0320 -0.1291 95  SER B O   
3246 C CB  . SER B 95  ? 0.6312 0.8025 0.4945 0.0251  -0.0313 -0.1802 95  SER B CB  
3247 O OG  . SER B 95  ? 0.5942 0.8041 0.4481 0.0257  -0.0233 -0.1882 95  SER B OG  
3253 N N   . TRP B 96  ? 0.6551 0.7413 0.5297 0.0002  -0.0141 -0.1517 96  TRP B N   
3254 C CA  . TRP B 96  ? 0.7079 0.7505 0.5868 -0.0031 -0.0153 -0.1496 96  TRP B CA  
3255 C C   . TRP B 96  ? 0.7376 0.7457 0.6087 -0.0016 -0.0062 -0.1223 96  TRP B C   
3256 O O   . TRP B 96  ? 0.6466 0.6237 0.5198 0.0061  -0.0098 -0.1210 96  TRP B O   
3257 C CB  . TRP B 96  ? 0.6575 0.6940 0.5555 -0.0228 -0.0069 -0.1602 96  TRP B CB  
3258 C CG  . TRP B 96  ? 0.6788 0.6775 0.5741 -0.0253 -0.0160 -0.1713 96  TRP B CG  
3259 C CD1 . TRP B 96  ? 0.7196 0.6772 0.6060 -0.0237 -0.0096 -0.1627 96  TRP B CD1 
3260 C CD2 . TRP B 96  ? 0.6679 0.6647 0.5673 -0.0321 -0.0346 -0.1950 96  TRP B CD2 
3261 N NE1 . TRP B 96  ? 0.6645 0.5941 0.5421 -0.0328 -0.0174 -0.1808 96  TRP B NE1 
3262 C CE2 . TRP B 96  ? 0.7248 0.6742 0.6055 -0.0388 -0.0362 -0.1983 96  TRP B CE2 
3263 C CE3 . TRP B 96  ? 0.6621 0.6910 0.5822 -0.0345 -0.0518 -0.2151 96  TRP B CE3 
3264 C CZ2 . TRP B 96  ? 0.7084 0.6349 0.5772 -0.0523 -0.0557 -0.2174 96  TRP B CZ2 
3265 C CZ3 . TRP B 96  ? 0.6206 0.6277 0.5390 -0.0436 -0.0764 -0.2330 96  TRP B CZ3 
3266 C CH2 . TRP B 96  ? 0.6544 0.6074 0.5407 -0.0545 -0.0792 -0.2323 96  TRP B CH2 
3277 N N   . SER B 97  ? 0.6518 0.6635 0.5163 -0.0116 0.0050  -0.1017 97  SER B N   
3278 C CA  . SER B 97  ? 0.7488 0.7216 0.6120 -0.0124 0.0071  -0.0743 97  SER B CA  
3279 C C   . SER B 97  ? 0.7683 0.7313 0.6257 0.0084  -0.0079 -0.0635 97  SER B C   
3280 O O   . SER B 97  ? 0.6633 0.5913 0.5369 0.0147  -0.0110 -0.0504 97  SER B O   
3281 C CB  . SER B 97  ? 0.7355 0.7107 0.5825 -0.0329 0.0167  -0.0525 97  SER B CB  
3282 O OG  . SER B 97  ? 0.8533 0.8432 0.6712 -0.0293 0.0094  -0.0387 97  SER B OG  
3288 N N   . ARG B 98  ? 0.7249 0.7184 0.5653 0.0196  -0.0183 -0.0712 98  ARG B N   
3289 C CA  . ARG B 98  ? 0.7635 0.7477 0.5982 0.0382  -0.0345 -0.0597 98  ARG B CA  
3290 C C   . ARG B 98  ? 0.6749 0.6517 0.5239 0.0518  -0.0417 -0.0781 98  ARG B C   
3291 O O   . ARG B 98  ? 0.7100 0.6770 0.5630 0.0659  -0.0530 -0.0698 98  ARG B O   
3292 C CB  . ARG B 98  ? 0.7656 0.7821 0.5704 0.0431  -0.0437 -0.0591 98  ARG B CB  
3293 C CG  . ARG B 98  ? 0.8082 0.8186 0.5845 0.0305  -0.0424 -0.0319 98  ARG B CG  
3294 C CD  . ARG B 98  ? 0.8515 0.8218 0.6278 0.0378  -0.0600 0.0000  98  ARG B CD  
3295 N NE  . ARG B 98  ? 0.8352 0.7997 0.6304 0.0616  -0.0765 -0.0039 98  ARG B NE  
3296 C CZ  . ARG B 98  ? 0.8836 0.8571 0.6576 0.0734  -0.0943 0.0022  98  ARG B CZ  
3297 N NH1 . ARG B 98  ? 0.9472 0.9354 0.6777 0.0645  -0.0970 0.0095  98  ARG B NH1 
3298 N NH2 . ARG B 98  ? 0.9706 0.9372 0.7660 0.0921  -0.1084 0.0001  98  ARG B NH2 
3312 N N   . VAL B 99  ? 0.6232 0.6062 0.4757 0.0453  -0.0381 -0.1032 99  VAL B N   
3313 C CA  . VAL B 99  ? 0.6453 0.6206 0.4962 0.0513  -0.0475 -0.1213 99  VAL B CA  
3314 C C   . VAL B 99  ? 0.7290 0.6719 0.5994 0.0544  -0.0393 -0.1162 99  VAL B C   
3315 O O   . VAL B 99  ? 0.6770 0.6165 0.5457 0.0620  -0.0466 -0.1227 99  VAL B O   
3316 C CB  . VAL B 99  ? 0.6563 0.6307 0.5041 0.0371  -0.0481 -0.1461 99  VAL B CB  
3317 C CG1 . VAL B 99  ? 0.6982 0.6488 0.5350 0.0338  -0.0550 -0.1621 99  VAL B CG1 
3318 C CG2 . VAL B 99  ? 0.7241 0.7349 0.5659 0.0384  -0.0625 -0.1590 99  VAL B CG2 
3328 N N   . ASP B 100 ? 0.6501 0.5692 0.5428 0.0471  -0.0234 -0.1082 100 ASP B N   
3329 C CA  . ASP B 100 ? 0.7970 0.6868 0.7194 0.0498  -0.0127 -0.1124 100 ASP B CA  
3330 C C   . ASP B 100 ? 0.7633 0.6530 0.7069 0.0681  -0.0239 -0.0942 100 ASP B C   
3331 O O   . ASP B 100 ? 0.7396 0.6232 0.7037 0.0745  -0.0211 -0.1050 100 ASP B O   
3332 C CB  . ASP B 100 ? 0.8056 0.6676 0.7514 0.0387  0.0040  -0.1099 100 ASP B CB  
3333 C CG  . ASP B 100 ? 0.9917 0.8247 0.9609 0.0325  0.0229  -0.1328 100 ASP B CG  
3334 O OD1 . ASP B 100 ? 0.8401 0.6605 0.8487 0.0439  0.0274  -0.1325 100 ASP B OD1 
3335 O OD2 . ASP B 100 ? 1.0448 0.8672 0.9948 0.0148  0.0333  -0.1531 100 ASP B OD2 
3340 N N   . LYS B 101 ? 0.7809 0.6756 0.7193 0.0736  -0.0369 -0.0669 101 LYS B N   
3341 C CA  . LYS B 101 ? 0.7536 0.6460 0.7067 0.0896  -0.0549 -0.0475 101 LYS B CA  
3342 C C   . LYS B 101 ? 0.7866 0.7034 0.7187 0.0994  -0.0668 -0.0576 101 LYS B C   
3343 O O   . LYS B 101 ? 0.7297 0.6433 0.6860 0.1112  -0.0749 -0.0554 101 LYS B O   
3344 C CB  . LYS B 101 ? 0.7111 0.5985 0.6457 0.0872  -0.0701 -0.0151 101 LYS B CB  
3345 C CG  . LYS B 101 ? 0.8826 0.7309 0.8542 0.0850  -0.0754 0.0074  101 LYS B CG  
3346 C CD  . LYS B 101 ? 0.9125 0.7428 0.9383 0.1034  -0.0907 0.0140  101 LYS B CD  
3347 C CE  . LYS B 101 ? 0.9169 0.7050 0.9895 0.1022  -0.1004 0.0327  101 LYS B CE  
3348 N NZ  . LYS B 101 ? 0.9602 0.7328 1.1103 0.1207  -0.1089 0.0272  101 LYS B NZ  
3362 N N   . ILE B 102 ? 0.6841 0.6256 0.5753 0.0949  -0.0708 -0.0687 102 ILE B N   
3363 C CA  . ILE B 102 ? 0.7125 0.6727 0.5830 0.1042  -0.0872 -0.0769 102 ILE B CA  
3364 C C   . ILE B 102 ? 0.7763 0.7260 0.6617 0.1015  -0.0803 -0.0973 102 ILE B C   
3365 O O   . ILE B 102 ? 0.6226 0.5749 0.5154 0.1104  -0.0903 -0.0956 102 ILE B O   
3366 C CB  . ILE B 102 ? 0.7036 0.6899 0.5378 0.1005  -0.0952 -0.0902 102 ILE B CB  
3367 C CG1 . ILE B 102 ? 0.7704 0.7714 0.5872 0.1008  -0.0982 -0.0727 102 ILE B CG1 
3368 C CG2 . ILE B 102 ? 0.6122 0.6092 0.4280 0.1085  -0.1151 -0.1018 102 ILE B CG2 
3369 C CD1 . ILE B 102 ? 0.7369 0.7697 0.5310 0.0981  -0.1021 -0.0908 102 ILE B CD1 
3381 N N   . ILE B 103 ? 0.6572 0.5937 0.5435 0.0858  -0.0624 -0.1175 103 ILE B N   
3382 C CA  . ILE B 103 ? 0.7958 0.7185 0.6860 0.0758  -0.0517 -0.1393 103 ILE B CA  
3383 C C   . ILE B 103 ? 0.7950 0.7075 0.7360 0.0842  -0.0395 -0.1355 103 ILE B C   
3384 O O   . ILE B 103 ? 0.7538 0.6691 0.7015 0.0838  -0.0387 -0.1457 103 ILE B O   
3385 C CB  . ILE B 103 ? 0.7570 0.6600 0.6342 0.0534  -0.0343 -0.1610 103 ILE B CB  
3386 C CG1 . ILE B 103 ? 0.7503 0.6635 0.5867 0.0449  -0.0522 -0.1679 103 ILE B CG1 
3387 C CG2 . ILE B 103 ? 0.7532 0.6375 0.6259 0.0369  -0.0194 -0.1847 103 ILE B CG2 
3388 C CD1 . ILE B 103 ? 0.7785 0.7011 0.5812 0.0452  -0.0778 -0.1754 103 ILE B CD1 
3400 N N   . GLU B 104 ? 0.7469 0.6460 0.7290 0.0900  -0.0301 -0.1231 104 GLU B N   
3401 C CA  . GLU B 104 ? 0.7796 0.6682 0.8251 0.1002  -0.0224 -0.1222 104 GLU B CA  
3402 C C   . GLU B 104 ? 0.8100 0.7149 0.8653 0.1173  -0.0467 -0.1048 104 GLU B C   
3403 O O   . GLU B 104 ? 0.8397 0.7482 0.9344 0.1212  -0.0408 -0.1163 104 GLU B O   
3404 C CB  . GLU B 104 ? 0.7127 0.5791 0.7990 0.1043  -0.0187 -0.1076 104 GLU B CB  
3405 C CG  . GLU B 104 ? 0.7841 0.6280 0.8807 0.0875  0.0111  -0.1321 104 GLU B CG  
3406 C CD  . GLU B 104 ? 0.8952 0.7124 1.0271 0.0891  0.0119  -0.1172 104 GLU B CD  
3407 O OE1 . GLU B 104 ? 1.0074 0.8224 1.1319 0.0955  -0.0110 -0.0850 104 GLU B OE1 
3408 O OE2 . GLU B 104 ? 0.8330 0.6275 0.9959 0.0810  0.0350  -0.1381 104 GLU B OE2 
3415 N N   . ASN B 105 ? 0.7042 0.6206 0.7216 0.1251  -0.0725 -0.0800 105 ASN B N   
3416 C CA  . ASN B 105 ? 0.8403 0.7680 0.8588 0.1398  -0.0986 -0.0615 105 ASN B CA  
3417 C C   . ASN B 105 ? 0.9172 0.8617 0.9146 0.1370  -0.1006 -0.0801 105 ASN B C   
3418 O O   . ASN B 105 ? 0.8285 0.7783 0.8568 0.1448  -0.1079 -0.0786 105 ASN B O   
3419 C CB  . ASN B 105 ? 0.8561 0.7898 0.8283 0.1439  -0.1218 -0.0356 105 ASN B CB  
3420 C CG  . ASN B 105 ? 0.8158 0.7273 0.8051 0.1439  -0.1277 -0.0096 105 ASN B CG  
3421 O OD1 . ASN B 105 ? 0.8075 0.6978 0.8528 0.1470  -0.1236 -0.0064 105 ASN B OD1 
3422 N ND2 . ASN B 105 ? 0.7996 0.7143 0.7406 0.1385  -0.1384 0.0079  105 ASN B ND2 
3429 N N   . LEU B 106 ? 0.8603 0.8118 0.8058 0.1244  -0.0978 -0.0966 106 LEU B N   
3430 C CA  . LEU B 106 ? 0.9350 0.8939 0.8536 0.1159  -0.1027 -0.1143 106 LEU B CA  
3431 C C   . LEU B 106 ? 0.9980 0.9494 0.9587 0.1063  -0.0785 -0.1335 106 LEU B C   
3432 O O   . LEU B 106 ? 0.9936 0.9542 0.9632 0.1073  -0.0852 -0.1359 106 LEU B O   
3433 C CB  . LEU B 106 ? 0.8523 0.8086 0.7186 0.0992  -0.1035 -0.1319 106 LEU B CB  
3434 C CG  . LEU B 106 ? 0.8090 0.7803 0.6404 0.1080  -0.1261 -0.1216 106 LEU B CG  
3435 C CD1 . LEU B 106 ? 0.8330 0.8025 0.6447 0.0877  -0.1205 -0.1324 106 LEU B CD1 
3436 C CD2 . LEU B 106 ? 0.8111 0.7971 0.6366 0.1151  -0.1438 -0.1042 106 LEU B CD2 
3448 N N   . GLU B 107 ? 0.7650 0.7005 0.7553 0.0961  -0.0487 -0.1490 107 GLU B N   
3449 C CA  . GLU B 107 ? 0.8257 0.7557 0.8603 0.0845  -0.0185 -0.1745 107 GLU B CA  
3450 C C   . GLU B 107 ? 0.7763 0.7183 0.8830 0.1041  -0.0239 -0.1643 107 GLU B C   
3451 O O   . GLU B 107 ? 0.8304 0.7821 0.9655 0.0965  -0.0099 -0.1829 107 GLU B O   
3452 C CB  . GLU B 107 ? 0.8702 0.7793 0.9312 0.0742  0.0129  -0.1920 107 GLU B CB  
3453 C CG  . GLU B 107 ? 0.9331 0.8255 0.9280 0.0482  0.0222  -0.2089 107 GLU B CG  
3454 C CD  . GLU B 107 ? 1.0425 0.9127 1.0576 0.0414  0.0456  -0.2184 107 GLU B CD  
3455 O OE1 . GLU B 107 ? 1.0707 0.9383 1.1440 0.0600  0.0473  -0.2052 107 GLU B OE1 
3456 O OE2 . GLU B 107 ? 1.1818 1.0328 1.1519 0.0159  0.0585  -0.2378 107 GLU B OE2 
3463 N N   . ALA B 108 ? 0.8028 0.7429 0.9396 0.1266  -0.0457 -0.1348 108 ALA B N   
3464 C CA  . ALA B 108 ? 0.7780 0.7246 0.9854 0.1454  -0.0600 -0.1214 108 ALA B CA  
3465 C C   . ALA B 108 ? 0.7902 0.7571 0.9753 0.1473  -0.0797 -0.1164 108 ALA B C   
3466 O O   . ALA B 108 ? 0.9179 0.8974 1.1521 0.1451  -0.0689 -0.1323 108 ALA B O   
3467 C CB  . ALA B 108 ? 0.7517 0.6836 0.9739 0.1633  -0.0885 -0.0854 108 ALA B CB  
3473 N N   . ASN B 109 ? 0.8276 0.7991 0.9389 0.1487  -0.1058 -0.0991 109 ASN B N   
3474 C CA  . ASN B 109 ? 0.8266 0.8129 0.9138 0.1537  -0.1324 -0.0886 109 ASN B CA  
3475 C C   . ASN B 109 ? 0.8416 0.8370 0.9012 0.1325  -0.1188 -0.1155 109 ASN B C   
3476 O O   . ASN B 109 ? 0.8703 0.8581 0.9178 0.1109  -0.0886 -0.1427 109 ASN B O   
3477 C CB  . ASN B 109 ? 0.9756 0.9618 0.9928 0.1611  -0.1622 -0.0664 109 ASN B CB  
3478 C CG  . ASN B 109 ? 0.9707 0.9437 0.9966 0.1722  -0.1711 -0.0416 109 ASN B CG  
3479 O OD1 . ASN B 109 ? 0.9348 0.8963 1.0220 0.1813  -0.1739 -0.0285 109 ASN B OD1 
3480 N ND2 . ASN B 109 ? 0.9623 0.9355 0.9295 0.1687  -0.1755 -0.0369 109 ASN B ND2 
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