data_9CC5
# 
_entry.id   9CC5 
# 
_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   9CC5         pdb_00009cc5 10.2210/pdb9cc5/pdb 
WWPDB D_1000285013 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-05-14 
_pdbx_audit_revision_history.part_number         ? 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        9CC5 
_pdbx_database_status.recvd_initial_deposition_date   2024-06-20 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              dabaker@uw.edu 
_pdbx_contact_author.name_first         David 
_pdbx_contact_author.name_last          Baker 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-7896-6217 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Bera, A.K.' 1 ? 
'Liu, C.'    2 ? 
'Kang, A.'   3 ? 
'Baker, D.'  4 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Diffusing protein binders to intrinsically disordered proteins' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Liu, C.'    1 ? 
primary 'Bera, A.K.' 2 ? 
primary 'Baker, D.'  3 ? 
# 
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 'Amylin-NHO-22 Binder'      15158.073 1  ? ? ? ? 
2 polymer syn 'Islet amyloid polypeptide' 3909.304  1  ? ? ? ? 
3 water   nat water                       18.015    46 ? ? ? ? 
# 
_entity_name_com.entity_id   2 
_entity_name_com.name        'Amylin,Diabetes-associated peptide,DAP,Insulinoma amyloid peptide' 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no 
;SLIVAVASPVVVAAHSPEDEERAEKEAERLRRRFAEELRKKGFEVVELDEETDEELRRWLTKAIREATQAPTQEEFNQAV
AEAIEKALERIEEIARRRHPDREVAAVLTVAVVHDGEVIATIFASPRLREALK
;
;SLIVAVASPVVVAAHSPEDEERAEKEAERLRRRFAEELRKKGFEVVELDEETDEELRRWLTKAIREATQAPTQEEFNQAV
AEAIEKALERIEEIARRRHPDREVAAVLTVAVVHDGEVIATIFASPRLREALK
;
A ? 
2 'polypeptide(L)' no no KCNTATCATQRLANFLVHSSNNFGAILSSTNVGSNTY KCNTATCATQRLANFLVHSSNNFGAILSSTNVGSNTY B ? 
# 
_pdbx_entity_nonpoly.entity_id   3 
_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   SER n 
1 2   LEU n 
1 3   ILE n 
1 4   VAL n 
1 5   ALA n 
1 6   VAL n 
1 7   ALA n 
1 8   SER n 
1 9   PRO n 
1 10  VAL n 
1 11  VAL n 
1 12  VAL n 
1 13  ALA n 
1 14  ALA n 
1 15  HIS n 
1 16  SER n 
1 17  PRO n 
1 18  GLU n 
1 19  ASP n 
1 20  GLU n 
1 21  GLU n 
1 22  ARG n 
1 23  ALA n 
1 24  GLU n 
1 25  LYS n 
1 26  GLU n 
1 27  ALA n 
1 28  GLU n 
1 29  ARG n 
1 30  LEU n 
1 31  ARG n 
1 32  ARG n 
1 33  ARG n 
1 34  PHE n 
1 35  ALA n 
1 36  GLU n 
1 37  GLU n 
1 38  LEU n 
1 39  ARG n 
1 40  LYS n 
1 41  LYS n 
1 42  GLY n 
1 43  PHE n 
1 44  GLU n 
1 45  VAL n 
1 46  VAL n 
1 47  GLU n 
1 48  LEU n 
1 49  ASP n 
1 50  GLU n 
1 51  GLU n 
1 52  THR n 
1 53  ASP n 
1 54  GLU n 
1 55  GLU n 
1 56  LEU n 
1 57  ARG n 
1 58  ARG n 
1 59  TRP n 
1 60  LEU n 
1 61  THR n 
1 62  LYS n 
1 63  ALA n 
1 64  ILE n 
1 65  ARG n 
1 66  GLU n 
1 67  ALA n 
1 68  THR n 
1 69  GLN n 
1 70  ALA n 
1 71  PRO n 
1 72  THR n 
1 73  GLN n 
1 74  GLU n 
1 75  GLU n 
1 76  PHE n 
1 77  ASN n 
1 78  GLN n 
1 79  ALA n 
1 80  VAL n 
1 81  ALA n 
1 82  GLU n 
1 83  ALA n 
1 84  ILE n 
1 85  GLU n 
1 86  LYS n 
1 87  ALA n 
1 88  LEU n 
1 89  GLU n 
1 90  ARG n 
1 91  ILE n 
1 92  GLU n 
1 93  GLU n 
1 94  ILE n 
1 95  ALA n 
1 96  ARG n 
1 97  ARG n 
1 98  ARG n 
1 99  HIS n 
1 100 PRO n 
1 101 ASP n 
1 102 ARG n 
1 103 GLU n 
1 104 VAL n 
1 105 ALA n 
1 106 ALA n 
1 107 VAL n 
1 108 LEU n 
1 109 THR n 
1 110 VAL n 
1 111 ALA n 
1 112 VAL n 
1 113 VAL n 
1 114 HIS n 
1 115 ASP n 
1 116 GLY n 
1 117 GLU n 
1 118 VAL n 
1 119 ILE n 
1 120 ALA n 
1 121 THR n 
1 122 ILE n 
1 123 PHE n 
1 124 ALA n 
1 125 SER n 
1 126 PRO n 
1 127 ARG n 
1 128 LEU n 
1 129 ARG n 
1 130 GLU n 
1 131 ALA n 
1 132 LEU n 
1 133 LYS n 
2 1   LYS n 
2 2   CYS n 
2 3   ASN n 
2 4   THR n 
2 5   ALA n 
2 6   THR n 
2 7   CYS n 
2 8   ALA n 
2 9   THR n 
2 10  GLN n 
2 11  ARG n 
2 12  LEU n 
2 13  ALA n 
2 14  ASN n 
2 15  PHE n 
2 16  LEU n 
2 17  VAL n 
2 18  HIS n 
2 19  SER n 
2 20  SER n 
2 21  ASN n 
2 22  ASN n 
2 23  PHE n 
2 24  GLY n 
2 25  ALA n 
2 26  ILE n 
2 27  LEU n 
2 28  SER n 
2 29  SER n 
2 30  THR n 
2 31  ASN n 
2 32  VAL n 
2 33  GLY n 
2 34  SER n 
2 35  ASN n 
2 36  THR n 
2 37  TYR 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                   133 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 ? 
_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      'synthetic construct' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     32630 
_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                   ? 
# 
_pdbx_entity_src_syn.entity_id              2 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       1 
_pdbx_entity_src_syn.pdbx_end_seq_num       37 
_pdbx_entity_src_syn.organism_scientific    'Homo sapiens' 
_pdbx_entity_src_syn.organism_common_name   human 
_pdbx_entity_src_syn.ncbi_taxonomy_id       9606 
_pdbx_entity_src_syn.details                ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ? 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ? 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ? 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE        ? 'C3 H7 N O2 S'   121.158 
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 
PHE 'L-peptide linking' y PHENYLALANINE   ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE       ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE        ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   SER 1   1   ?   ?   ?   A . n 
A 1 2   LEU 2   2   2   LEU LEU A . n 
A 1 3   ILE 3   3   3   ILE ILE A . n 
A 1 4   VAL 4   4   4   VAL VAL A . n 
A 1 5   ALA 5   5   5   ALA ALA A . n 
A 1 6   VAL 6   6   6   VAL VAL A . n 
A 1 7   ALA 7   7   7   ALA ALA A . n 
A 1 8   SER 8   8   8   SER SER A . n 
A 1 9   PRO 9   9   9   PRO PRO A . n 
A 1 10  VAL 10  10  10  VAL VAL A . n 
A 1 11  VAL 11  11  11  VAL VAL A . n 
A 1 12  VAL 12  12  12  VAL VAL A . n 
A 1 13  ALA 13  13  13  ALA ALA A . n 
A 1 14  ALA 14  14  14  ALA ALA A . n 
A 1 15  HIS 15  15  15  HIS HIS A . n 
A 1 16  SER 16  16  16  SER SER A . n 
A 1 17  PRO 17  17  17  PRO PRO A . n 
A 1 18  GLU 18  18  18  GLU GLU A . n 
A 1 19  ASP 19  19  19  ASP ASP A . n 
A 1 20  GLU 20  20  20  GLU GLU A . n 
A 1 21  GLU 21  21  21  GLU GLU A . n 
A 1 22  ARG 22  22  22  ARG ARG A . n 
A 1 23  ALA 23  23  23  ALA ALA A . n 
A 1 24  GLU 24  24  24  GLU GLU A . n 
A 1 25  LYS 25  25  25  LYS LYS A . n 
A 1 26  GLU 26  26  26  GLU GLU A . n 
A 1 27  ALA 27  27  27  ALA ALA A . n 
A 1 28  GLU 28  28  28  GLU GLU A . n 
A 1 29  ARG 29  29  29  ARG ARG A . n 
A 1 30  LEU 30  30  30  LEU LEU A . n 
A 1 31  ARG 31  31  31  ARG ARG A . n 
A 1 32  ARG 32  32  32  ARG ARG A . n 
A 1 33  ARG 33  33  33  ARG ARG A . n 
A 1 34  PHE 34  34  34  PHE PHE A . n 
A 1 35  ALA 35  35  35  ALA ALA A . n 
A 1 36  GLU 36  36  36  GLU GLU A . n 
A 1 37  GLU 37  37  37  GLU GLU A . n 
A 1 38  LEU 38  38  38  LEU LEU A . n 
A 1 39  ARG 39  39  39  ARG ARG A . n 
A 1 40  LYS 40  40  40  LYS LYS A . n 
A 1 41  LYS 41  41  41  LYS LYS A . n 
A 1 42  GLY 42  42  42  GLY GLY A . n 
A 1 43  PHE 43  43  43  PHE PHE A . n 
A 1 44  GLU 44  44  44  GLU GLU A . n 
A 1 45  VAL 45  45  45  VAL VAL A . n 
A 1 46  VAL 46  46  46  VAL VAL A . n 
A 1 47  GLU 47  47  47  GLU GLU A . n 
A 1 48  LEU 48  48  48  LEU LEU A . n 
A 1 49  ASP 49  49  49  ASP ASP A . n 
A 1 50  GLU 50  50  50  GLU GLU A . n 
A 1 51  GLU 51  51  51  GLU GLU A . n 
A 1 52  THR 52  52  52  THR THR A . n 
A 1 53  ASP 53  53  53  ASP ASP A . n 
A 1 54  GLU 54  54  54  GLU GLU A . n 
A 1 55  GLU 55  55  55  GLU GLU A . n 
A 1 56  LEU 56  56  56  LEU LEU A . n 
A 1 57  ARG 57  57  57  ARG ARG A . n 
A 1 58  ARG 58  58  58  ARG ARG A . n 
A 1 59  TRP 59  59  59  TRP TRP A . n 
A 1 60  LEU 60  60  60  LEU LEU A . n 
A 1 61  THR 61  61  61  THR THR A . n 
A 1 62  LYS 62  62  62  LYS LYS A . n 
A 1 63  ALA 63  63  63  ALA ALA A . n 
A 1 64  ILE 64  64  64  ILE ILE A . n 
A 1 65  ARG 65  65  65  ARG ARG A . n 
A 1 66  GLU 66  66  66  GLU GLU A . n 
A 1 67  ALA 67  67  67  ALA ALA A . n 
A 1 68  THR 68  68  68  THR THR A . n 
A 1 69  GLN 69  69  69  GLN GLN A . n 
A 1 70  ALA 70  70  70  ALA ALA A . n 
A 1 71  PRO 71  71  71  PRO PRO A . n 
A 1 72  THR 72  72  72  THR THR A . n 
A 1 73  GLN 73  73  73  GLN GLN A . n 
A 1 74  GLU 74  74  74  GLU GLU A . n 
A 1 75  GLU 75  75  75  GLU GLU A . n 
A 1 76  PHE 76  76  76  PHE PHE A . n 
A 1 77  ASN 77  77  77  ASN ASN A . n 
A 1 78  GLN 78  78  78  GLN GLN A . n 
A 1 79  ALA 79  79  79  ALA ALA A . n 
A 1 80  VAL 80  80  80  VAL VAL A . n 
A 1 81  ALA 81  81  81  ALA ALA A . n 
A 1 82  GLU 82  82  82  GLU GLU A . n 
A 1 83  ALA 83  83  83  ALA ALA A . n 
A 1 84  ILE 84  84  84  ILE ILE A . n 
A 1 85  GLU 85  85  85  GLU GLU A . n 
A 1 86  LYS 86  86  86  LYS LYS A . n 
A 1 87  ALA 87  87  87  ALA ALA A . n 
A 1 88  LEU 88  88  88  LEU LEU A . n 
A 1 89  GLU 89  89  89  GLU GLU A . n 
A 1 90  ARG 90  90  90  ARG ARG A . n 
A 1 91  ILE 91  91  91  ILE ILE A . n 
A 1 92  GLU 92  92  92  GLU GLU A . n 
A 1 93  GLU 93  93  93  GLU GLU A . n 
A 1 94  ILE 94  94  94  ILE ILE A . n 
A 1 95  ALA 95  95  95  ALA ALA A . n 
A 1 96  ARG 96  96  96  ARG ARG A . n 
A 1 97  ARG 97  97  97  ARG ARG A . n 
A 1 98  ARG 98  98  98  ARG ARG A . n 
A 1 99  HIS 99  99  99  HIS HIS A . n 
A 1 100 PRO 100 100 100 PRO PRO A . n 
A 1 101 ASP 101 101 101 ASP ASP A . n 
A 1 102 ARG 102 102 102 ARG ARG A . n 
A 1 103 GLU 103 103 103 GLU GLU A . n 
A 1 104 VAL 104 104 104 VAL VAL A . n 
A 1 105 ALA 105 105 105 ALA ALA A . n 
A 1 106 ALA 106 106 106 ALA ALA A . n 
A 1 107 VAL 107 107 107 VAL VAL A . n 
A 1 108 LEU 108 108 108 LEU LEU A . n 
A 1 109 THR 109 109 109 THR THR A . n 
A 1 110 VAL 110 110 110 VAL VAL A . n 
A 1 111 ALA 111 111 111 ALA ALA A . n 
A 1 112 VAL 112 112 112 VAL VAL A . n 
A 1 113 VAL 113 113 113 VAL VAL A . n 
A 1 114 HIS 114 114 114 HIS HIS A . n 
A 1 115 ASP 115 115 115 ASP ASP A . n 
A 1 116 GLY 116 116 116 GLY GLY A . n 
A 1 117 GLU 117 117 117 GLU GLU A . n 
A 1 118 VAL 118 118 118 VAL VAL A . n 
A 1 119 ILE 119 119 119 ILE ILE A . n 
A 1 120 ALA 120 120 120 ALA ALA A . n 
A 1 121 THR 121 121 121 THR THR A . n 
A 1 122 ILE 122 122 122 ILE ILE A . n 
A 1 123 PHE 123 123 123 PHE PHE A . n 
A 1 124 ALA 124 124 124 ALA ALA A . n 
A 1 125 SER 125 125 125 SER SER A . n 
A 1 126 PRO 126 126 126 PRO PRO A . n 
A 1 127 ARG 127 127 127 ARG ARG A . n 
A 1 128 LEU 128 128 128 LEU LEU A . n 
A 1 129 ARG 129 129 129 ARG ARG A . n 
A 1 130 GLU 130 130 130 GLU GLU A . n 
A 1 131 ALA 131 131 131 ALA ALA A . n 
A 1 132 LEU 132 132 132 LEU LEU A . n 
A 1 133 LYS 133 133 133 LYS LYS A . n 
B 2 1   LYS 1   134 134 LYS LYS B . n 
B 2 2   CYS 2   135 135 CYS CYS B . n 
B 2 3   ASN 3   136 136 ASN ASN B . n 
B 2 4   THR 4   137 137 THR THR B . n 
B 2 5   ALA 5   138 138 ALA ALA B . n 
B 2 6   THR 6   139 139 THR THR B . n 
B 2 7   CYS 7   140 140 CYS CYS B . n 
B 2 8   ALA 8   141 141 ALA ALA B . n 
B 2 9   THR 9   142 142 THR THR B . n 
B 2 10  GLN 10  143 143 GLN GLN B . n 
B 2 11  ARG 11  144 144 ARG ARG B . n 
B 2 12  LEU 12  145 145 LEU LEU B . n 
B 2 13  ALA 13  146 146 ALA ALA B . n 
B 2 14  ASN 14  147 147 ASN ASN B . n 
B 2 15  PHE 15  148 148 PHE PHE B . n 
B 2 16  LEU 16  149 149 LEU LEU B . n 
B 2 17  VAL 17  150 150 VAL VAL B . n 
B 2 18  HIS 18  151 151 HIS HIS B . n 
B 2 19  SER 19  152 152 SER SER B . n 
B 2 20  SER 20  153 153 SER SER B . n 
B 2 21  ASN 21  154 154 ASN ASN B . n 
B 2 22  ASN 22  155 155 ASN ASN B . n 
B 2 23  PHE 23  156 156 PHE PHE B . n 
B 2 24  GLY 24  157 157 GLY GLY B . n 
B 2 25  ALA 25  158 158 ALA ALA B . n 
B 2 26  ILE 26  159 159 ILE ILE B . n 
B 2 27  LEU 27  160 160 LEU LEU B . n 
B 2 28  SER 28  161 161 SER SER B . n 
B 2 29  SER 29  162 162 SER SER B . n 
B 2 30  THR 30  163 163 THR THR B . n 
B 2 31  ASN 31  164 164 ASN ASN B . n 
B 2 32  VAL 32  165 ?   ?   ?   B . n 
B 2 33  GLY 33  166 ?   ?   ?   B . n 
B 2 34  SER 34  167 ?   ?   ?   B . n 
B 2 35  ASN 35  168 ?   ?   ?   B . n 
B 2 36  THR 36  169 ?   ?   ?   B . n 
B 2 37  TYR 37  170 ?   ?   ?   B . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 3 HOH 1  201 37 HOH HOH A . 
C 3 HOH 2  202 34 HOH HOH A . 
C 3 HOH 3  203 3  HOH HOH A . 
C 3 HOH 4  204 38 HOH HOH A . 
C 3 HOH 5  205 19 HOH HOH A . 
C 3 HOH 6  206 21 HOH HOH A . 
C 3 HOH 7  207 4  HOH HOH A . 
C 3 HOH 8  208 36 HOH HOH A . 
C 3 HOH 9  209 2  HOH HOH A . 
C 3 HOH 10 210 32 HOH HOH A . 
C 3 HOH 11 211 6  HOH HOH A . 
C 3 HOH 12 212 15 HOH HOH A . 
C 3 HOH 13 213 29 HOH HOH A . 
C 3 HOH 14 214 20 HOH HOH A . 
C 3 HOH 15 215 46 HOH HOH A . 
C 3 HOH 16 216 27 HOH HOH A . 
C 3 HOH 17 217 24 HOH HOH A . 
C 3 HOH 18 218 12 HOH HOH A . 
C 3 HOH 19 219 14 HOH HOH A . 
C 3 HOH 20 220 1  HOH HOH A . 
C 3 HOH 21 221 23 HOH HOH A . 
C 3 HOH 22 222 11 HOH HOH A . 
C 3 HOH 23 223 13 HOH HOH A . 
C 3 HOH 24 224 40 HOH HOH A . 
C 3 HOH 25 225 5  HOH HOH A . 
C 3 HOH 26 226 8  HOH HOH A . 
C 3 HOH 27 227 30 HOH HOH A . 
C 3 HOH 28 228 26 HOH HOH A . 
C 3 HOH 29 229 33 HOH HOH A . 
C 3 HOH 30 230 31 HOH HOH A . 
C 3 HOH 31 231 9  HOH HOH A . 
C 3 HOH 32 232 16 HOH HOH A . 
C 3 HOH 33 233 17 HOH HOH A . 
C 3 HOH 34 234 22 HOH HOH A . 
C 3 HOH 35 235 45 HOH HOH A . 
C 3 HOH 36 236 18 HOH HOH A . 
C 3 HOH 37 237 42 HOH HOH A . 
C 3 HOH 38 238 44 HOH HOH A . 
C 3 HOH 39 239 43 HOH HOH A . 
C 3 HOH 40 240 28 HOH HOH A . 
C 3 HOH 41 241 25 HOH HOH A . 
C 3 HOH 42 242 39 HOH HOH A . 
C 3 HOH 43 243 41 HOH HOH A . 
D 3 HOH 1  201 7  HOH HOH B . 
D 3 HOH 2  202 10 HOH HOH B . 
D 3 HOH 3  203 35 HOH HOH B . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? dev_4761 1 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? dev_4761 2 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .        3 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .        4 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .        5 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9CC5 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     33.336 
_cell.length_a_esd                 ? 
_cell.length_b                     34.519 
_cell.length_b_esd                 ? 
_cell.length_c                     127.684 
_cell.length_c_esd                 ? 
_cell.volume                       146929.220 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_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                         9CC5 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            'P 2ac 2ab' 
_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                   9CC5 
_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             1.93 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          36.15 
_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    
'0.1M succinic acid, sodium phosphate monobasic monohydrate, glycine mixture at pH 6 and 30% w/v PEG 1000' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 9M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-01-31 
_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   0.9201 
_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                        'NSLS-II BEAMLINE 17-ID-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9201 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   17-ID-1 
_diffrn_source.pdbx_synchrotron_site       NSLS-II 
# 
_reflns.B_iso_Wilson_estimate                          28.62 
_reflns.entry_id                                       9CC5 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.87 
_reflns.d_resolution_low                               33.32 
_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                                     12855 
_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                           99.38 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                6.6 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          7.94 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                0.067 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.159 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.87 
_reflns_shell.d_res_low                                     1.94 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           1.22 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1372 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               6.8 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.769 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          99.28 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.79 
_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                               34.72 
_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                                 9CC5 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.87 
_refine.ls_d_res_low                             33.32 
_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                     12855 
_refine.ls_number_reflns_R_free                  1295 
_refine.ls_number_reflns_R_work                  11560 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.44 
_refine.ls_percent_reflns_R_free                 10.07 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2305 
_refine.ls_R_factor_R_free                       0.2724 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2257 
_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                          1.34 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1000 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 26.0325 
_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                            0.2195 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.87 
_refine_hist.d_res_low                        33.32 
_refine_hist.number_atoms_solvent             46 
_refine_hist.number_atoms_total               1335 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1289 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         0 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.0151 ? 1304 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.3114 ? 1762 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0774 ? 206  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0132 ? 235  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 6.0044 ? 179  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.87 1.94  . . 141 1255 99.50 . . . . 0.2981 . . . . . . . . . . . 0.3319 
'X-RAY DIFFRACTION' 1.94 2.03  . . 137 1276 99.79 . . . . 0.2617 . . . . . . . . . . . 0.3130 
'X-RAY DIFFRACTION' 2.03 2.14  . . 140 1244 99.78 . . . . 0.2461 . . . . . . . . . . . 0.3274 
'X-RAY DIFFRACTION' 2.14 2.27  . . 146 1267 99.86 . . . . 0.2352 . . . . . . . . . . . 0.2671 
'X-RAY DIFFRACTION' 2.27 2.44  . . 143 1267 99.93 . . . . 0.2125 . . . . . . . . . . . 0.2152 
'X-RAY DIFFRACTION' 2.44 2.69  . . 138 1293 99.93 . . . . 0.2117 . . . . . . . . . . . 0.2966 
'X-RAY DIFFRACTION' 2.69 3.08  . . 148 1290 99.79 . . . . 0.2268 . . . . . . . . . . . 0.2711 
'X-RAY DIFFRACTION' 3.08 3.88  . . 146 1304 99.38 . . . . 0.2065 . . . . . . . . . . . 0.2948 
'X-RAY DIFFRACTION' 3.88 33.32 . . 156 1364 97.31 . . . . 0.2277 . . . . . . . . . . . 0.2483 
# 
_struct.entry_id                     9CC5 
_struct.title                        'De novo design of high-affinity protein binders to bio active peptide Amylin' 
_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        9CC5 
_struct_keywords.text            
'protein design, diffusion, deep learning, DE NOVO PROTEIN, binders, IDP, IDR, Amyloid, phase separation' 
_struct_keywords.pdbx_keywords   'DE NOVO PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 3 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 PDB 9CC5       9CC5   ? 1 ?                                     1  
2 UNP IAPP_HUMAN P10997 ? 2 KCNTATCATQRLANFLVHSSNNFGAILSSTNVGSNTY 34 
# 
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 9CC5 A 1 ? 133 ? 9CC5   1  ? 133 ? 1   133 
2 2 9CC5 B 1 ? 37  ? P10997 34 ? 70  ? 134 170 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 2320 ? 
1 MORE         -16  ? 
1 'SSA (A^2)'  8960 ? 
# 
_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_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 SER A 16  ? LYS A 41  ? SER A 16  LYS A 41  1 ? 26 
HELX_P HELX_P2 AA2 ASP A 49  ? THR A 68  ? ASP A 49  THR A 68  1 ? 20 
HELX_P HELX_P3 AA3 THR A 72  ? HIS A 99  ? THR A 72  HIS A 99  1 ? 28 
HELX_P HELX_P4 AA4 SER A 125 ? LYS A 133 ? SER A 125 LYS A 133 1 ? 9  
HELX_P HELX_P5 AA5 THR B 6   ? ASN B 21  ? THR B 139 ASN B 154 1 ? 16 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_conn.id                            disulf1 
_struct_conn.conn_type_id                  disulf 
_struct_conn.pdbx_leaving_atom_flag        ? 
_struct_conn.pdbx_PDB_id                   ? 
_struct_conn.ptnr1_label_asym_id           B 
_struct_conn.ptnr1_label_comp_id           CYS 
_struct_conn.ptnr1_label_seq_id            2 
_struct_conn.ptnr1_label_atom_id           SG 
_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                1_555 
_struct_conn.ptnr2_label_asym_id           B 
_struct_conn.ptnr2_label_comp_id           CYS 
_struct_conn.ptnr2_label_seq_id            7 
_struct_conn.ptnr2_label_atom_id           SG 
_struct_conn.pdbx_ptnr2_label_alt_id       ? 
_struct_conn.pdbx_ptnr2_PDB_ins_code       ? 
_struct_conn.ptnr1_auth_asym_id            B 
_struct_conn.ptnr1_auth_comp_id            CYS 
_struct_conn.ptnr1_auth_seq_id             135 
_struct_conn.ptnr2_auth_asym_id            B 
_struct_conn.ptnr2_auth_comp_id            CYS 
_struct_conn.ptnr2_auth_seq_id             140 
_struct_conn.ptnr2_symmetry                1_555 
_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               2.056 
_struct_conn.pdbx_value_order              ? 
_struct_conn.pdbx_role                     ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_pdbx_modification_feature.ordinal                            1 
_pdbx_modification_feature.label_comp_id                      CYS 
_pdbx_modification_feature.label_asym_id                      B 
_pdbx_modification_feature.label_seq_id                       2 
_pdbx_modification_feature.label_alt_id                       ? 
_pdbx_modification_feature.modified_residue_label_comp_id     CYS 
_pdbx_modification_feature.modified_residue_label_asym_id     B 
_pdbx_modification_feature.modified_residue_label_seq_id      7 
_pdbx_modification_feature.modified_residue_label_alt_id      ? 
_pdbx_modification_feature.auth_comp_id                       CYS 
_pdbx_modification_feature.auth_asym_id                       B 
_pdbx_modification_feature.auth_seq_id                        135 
_pdbx_modification_feature.PDB_ins_code                       ? 
_pdbx_modification_feature.symmetry                           1_555 
_pdbx_modification_feature.modified_residue_auth_comp_id      CYS 
_pdbx_modification_feature.modified_residue_auth_asym_id      B 
_pdbx_modification_feature.modified_residue_auth_seq_id       140 
_pdbx_modification_feature.modified_residue_PDB_ins_code      ? 
_pdbx_modification_feature.modified_residue_symmetry          1_555 
_pdbx_modification_feature.comp_id_linking_atom               SG 
_pdbx_modification_feature.modified_residue_id_linking_atom   SG 
_pdbx_modification_feature.modified_residue_id                . 
_pdbx_modification_feature.ref_pcm_id                         . 
_pdbx_modification_feature.ref_comp_id                        . 
_pdbx_modification_feature.type                               None 
_pdbx_modification_feature.category                           'Disulfide bridge' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 4 ? 
AA2 ? 4 ? 
# 
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 ? parallel      
AA1 2 3 ? parallel      
AA1 3 4 ? parallel      
AA2 1 2 ? parallel      
AA2 2 3 ? anti-parallel 
AA2 3 4 ? 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 VAL A 10  ? VAL A 12  ? VAL A 10  VAL A 12  
AA1 2 VAL A 104 ? HIS A 114 ? VAL A 104 HIS A 114 
AA1 3 ILE A 3   ? VAL A 6   ? ILE A 3   VAL A 6   
AA1 4 GLU A 44  ? GLU A 47  ? GLU A 44  GLU A 47  
AA2 1 VAL A 10  ? VAL A 12  ? VAL A 10  VAL A 12  
AA2 2 VAL A 104 ? HIS A 114 ? VAL A 104 HIS A 114 
AA2 3 GLU A 117 ? ALA A 124 ? GLU A 117 ALA A 124 
AA2 4 LEU B 27  ? THR B 30  ? LEU B 160 THR B 163 
# 
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 VAL A 10  ? N VAL A 10  O THR A 109 ? O THR A 109 
AA1 2 3 O ALA A 105 ? O ALA A 105 N ALA A 5   ? N ALA A 5   
AA1 3 4 N VAL A 4   ? N VAL A 4   O GLU A 44  ? O GLU A 44  
AA2 1 2 N VAL A 10  ? N VAL A 10  O THR A 109 ? O THR A 109 
AA2 2 3 N LEU A 108 ? N LEU A 108 O PHE A 123 ? O PHE A 123 
AA2 3 4 N ALA A 120 ? N ALA A 120 O SER B 29  ? O SER B 162 
# 
_pdbx_entry_details.entry_id                   9CC5 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   OE1 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   GLN 
_pdbx_validate_close_contact.auth_seq_id_1    69 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    201 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.01 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 THR B 137 ? ? -84.23 -150.34 
2 1 ASN B 154 ? ? -81.64 -90.08  
3 1 PHE B 156 ? ? 64.26  179.93  
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z           
2 x+1/2,-y+1/2,-z 
3 -x,y+1/2,-z+1/2 
4 -x+1/2,-y,z+1/2 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 A SER 1   ? A SER 1  
2 1 Y 1 B VAL 165 ? B VAL 32 
3 1 Y 1 B GLY 166 ? B GLY 33 
4 1 Y 1 B SER 167 ? B SER 34 
5 1 Y 1 B ASN 168 ? B ASN 35 
6 1 Y 1 B THR 169 ? B THR 36 
7 1 Y 1 B TYR 170 ? B TYR 37 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
ILE N    N N N 161 
ILE CA   C N S 162 
ILE C    C N N 163 
ILE O    O N N 164 
ILE CB   C N S 165 
ILE CG1  C N N 166 
ILE CG2  C N N 167 
ILE CD1  C N N 168 
ILE OXT  O N N 169 
ILE H    H N N 170 
ILE H2   H N N 171 
ILE HA   H N N 172 
ILE HB   H N N 173 
ILE HG12 H N N 174 
ILE HG13 H N N 175 
ILE HG21 H N N 176 
ILE HG22 H N N 177 
ILE HG23 H N N 178 
ILE HD11 H N N 179 
ILE HD12 H N N 180 
ILE HD13 H N N 181 
ILE HXT  H N N 182 
LEU N    N N N 183 
LEU CA   C N S 184 
LEU C    C N N 185 
LEU O    O N N 186 
LEU CB   C N N 187 
LEU CG   C N N 188 
LEU CD1  C N N 189 
LEU CD2  C N N 190 
LEU OXT  O N N 191 
LEU H    H N N 192 
LEU H2   H N N 193 
LEU HA   H N N 194 
LEU HB2  H N N 195 
LEU HB3  H N N 196 
LEU HG   H N N 197 
LEU HD11 H N N 198 
LEU HD12 H N N 199 
LEU HD13 H N N 200 
LEU HD21 H N N 201 
LEU HD22 H N N 202 
LEU HD23 H N N 203 
LEU HXT  H N N 204 
LYS N    N N N 205 
LYS CA   C N S 206 
LYS C    C N N 207 
LYS O    O N N 208 
LYS CB   C N N 209 
LYS CG   C N N 210 
LYS CD   C N N 211 
LYS CE   C N N 212 
LYS NZ   N N N 213 
LYS OXT  O N N 214 
LYS H    H N N 215 
LYS H2   H N N 216 
LYS HA   H N N 217 
LYS HB2  H N N 218 
LYS HB3  H N N 219 
LYS HG2  H N N 220 
LYS HG3  H N N 221 
LYS HD2  H N N 222 
LYS HD3  H N N 223 
LYS HE2  H N N 224 
LYS HE3  H N N 225 
LYS HZ1  H N N 226 
LYS HZ2  H N N 227 
LYS HZ3  H N N 228 
LYS HXT  H N N 229 
PHE N    N N N 230 
PHE CA   C N S 231 
PHE C    C N N 232 
PHE O    O N N 233 
PHE CB   C N N 234 
PHE CG   C Y N 235 
PHE CD1  C Y N 236 
PHE CD2  C Y N 237 
PHE CE1  C Y N 238 
PHE CE2  C Y N 239 
PHE CZ   C Y N 240 
PHE OXT  O N N 241 
PHE H    H N N 242 
PHE H2   H N N 243 
PHE HA   H N N 244 
PHE HB2  H N N 245 
PHE HB3  H N N 246 
PHE HD1  H N N 247 
PHE HD2  H N N 248 
PHE HE1  H N N 249 
PHE HE2  H N N 250 
PHE HZ   H N N 251 
PHE HXT  H N N 252 
PRO N    N N N 253 
PRO CA   C N S 254 
PRO C    C N N 255 
PRO O    O N N 256 
PRO CB   C N N 257 
PRO CG   C N N 258 
PRO CD   C N N 259 
PRO OXT  O N N 260 
PRO H    H N N 261 
PRO HA   H N N 262 
PRO HB2  H N N 263 
PRO HB3  H N N 264 
PRO HG2  H N N 265 
PRO HG3  H N N 266 
PRO HD2  H N N 267 
PRO HD3  H N N 268 
PRO HXT  H N N 269 
SER N    N N N 270 
SER CA   C N S 271 
SER C    C N N 272 
SER O    O N N 273 
SER CB   C N N 274 
SER OG   O N N 275 
SER OXT  O N N 276 
SER H    H N N 277 
SER H2   H N N 278 
SER HA   H N N 279 
SER HB2  H N N 280 
SER HB3  H N N 281 
SER HG   H N N 282 
SER HXT  H N N 283 
THR N    N N N 284 
THR CA   C N S 285 
THR C    C N N 286 
THR O    O N N 287 
THR CB   C N R 288 
THR OG1  O N N 289 
THR CG2  C N N 290 
THR OXT  O N N 291 
THR H    H N N 292 
THR H2   H N N 293 
THR HA   H N N 294 
THR HB   H N N 295 
THR HG1  H N N 296 
THR HG21 H N N 297 
THR HG22 H N N 298 
THR HG23 H N N 299 
THR HXT  H N N 300 
TRP N    N N N 301 
TRP CA   C N S 302 
TRP C    C N N 303 
TRP O    O N N 304 
TRP CB   C N N 305 
TRP CG   C Y N 306 
TRP CD1  C Y N 307 
TRP CD2  C Y N 308 
TRP NE1  N Y N 309 
TRP CE2  C Y N 310 
TRP CE3  C Y N 311 
TRP CZ2  C Y N 312 
TRP CZ3  C Y N 313 
TRP CH2  C Y N 314 
TRP OXT  O N N 315 
TRP H    H N N 316 
TRP H2   H N N 317 
TRP HA   H N N 318 
TRP HB2  H N N 319 
TRP HB3  H N N 320 
TRP HD1  H N N 321 
TRP HE1  H N N 322 
TRP HE3  H N N 323 
TRP HZ2  H N N 324 
TRP HZ3  H N N 325 
TRP HH2  H N N 326 
TRP HXT  H N N 327 
TYR N    N N N 328 
TYR CA   C N S 329 
TYR C    C N N 330 
TYR O    O N N 331 
TYR CB   C N N 332 
TYR CG   C Y N 333 
TYR CD1  C Y N 334 
TYR CD2  C Y N 335 
TYR CE1  C Y N 336 
TYR CE2  C Y N 337 
TYR CZ   C Y N 338 
TYR OH   O N N 339 
TYR OXT  O N N 340 
TYR H    H N N 341 
TYR H2   H N N 342 
TYR HA   H N N 343 
TYR HB2  H N N 344 
TYR HB3  H N N 345 
TYR HD1  H N N 346 
TYR HD2  H N N 347 
TYR HE1  H N N 348 
TYR HE2  H N N 349 
TYR HH   H N N 350 
TYR HXT  H N N 351 
VAL N    N N N 352 
VAL CA   C N S 353 
VAL C    C N N 354 
VAL O    O N N 355 
VAL CB   C N N 356 
VAL CG1  C N N 357 
VAL CG2  C N N 358 
VAL OXT  O N N 359 
VAL H    H N N 360 
VAL H2   H N N 361 
VAL HA   H N N 362 
VAL HB   H N N 363 
VAL HG11 H N N 364 
VAL HG12 H N N 365 
VAL HG13 H N N 366 
VAL HG21 H N N 367 
VAL HG22 H N N 368 
VAL HG23 H N N 369 
VAL HXT  H N N 370 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
PHE N   CA   sing N N 218 
PHE N   H    sing N N 219 
PHE N   H2   sing N N 220 
PHE CA  C    sing N N 221 
PHE CA  CB   sing N N 222 
PHE CA  HA   sing N N 223 
PHE C   O    doub N N 224 
PHE C   OXT  sing N N 225 
PHE CB  CG   sing N N 226 
PHE CB  HB2  sing N N 227 
PHE CB  HB3  sing N N 228 
PHE CG  CD1  doub Y N 229 
PHE CG  CD2  sing Y N 230 
PHE CD1 CE1  sing Y N 231 
PHE CD1 HD1  sing N N 232 
PHE CD2 CE2  doub Y N 233 
PHE CD2 HD2  sing N N 234 
PHE CE1 CZ   doub Y N 235 
PHE CE1 HE1  sing N N 236 
PHE CE2 CZ   sing Y N 237 
PHE CE2 HE2  sing N N 238 
PHE CZ  HZ   sing N N 239 
PHE OXT HXT  sing N N 240 
PRO N   CA   sing N N 241 
PRO N   CD   sing N N 242 
PRO N   H    sing N N 243 
PRO CA  C    sing N N 244 
PRO CA  CB   sing N N 245 
PRO CA  HA   sing N N 246 
PRO C   O    doub N N 247 
PRO C   OXT  sing N N 248 
PRO CB  CG   sing N N 249 
PRO CB  HB2  sing N N 250 
PRO CB  HB3  sing N N 251 
PRO CG  CD   sing N N 252 
PRO CG  HG2  sing N N 253 
PRO CG  HG3  sing N N 254 
PRO CD  HD2  sing N N 255 
PRO CD  HD3  sing N N 256 
PRO OXT HXT  sing N N 257 
SER N   CA   sing N N 258 
SER N   H    sing N N 259 
SER N   H2   sing N N 260 
SER CA  C    sing N N 261 
SER CA  CB   sing N N 262 
SER CA  HA   sing N N 263 
SER C   O    doub N N 264 
SER C   OXT  sing N N 265 
SER CB  OG   sing N N 266 
SER CB  HB2  sing N N 267 
SER CB  HB3  sing N N 268 
SER OG  HG   sing N N 269 
SER OXT HXT  sing N N 270 
THR N   CA   sing N N 271 
THR N   H    sing N N 272 
THR N   H2   sing N N 273 
THR CA  C    sing N N 274 
THR CA  CB   sing N N 275 
THR CA  HA   sing N N 276 
THR C   O    doub N N 277 
THR C   OXT  sing N N 278 
THR CB  OG1  sing N N 279 
THR CB  CG2  sing N N 280 
THR CB  HB   sing N N 281 
THR OG1 HG1  sing N N 282 
THR CG2 HG21 sing N N 283 
THR CG2 HG22 sing N N 284 
THR CG2 HG23 sing N N 285 
THR OXT HXT  sing N N 286 
TRP N   CA   sing N N 287 
TRP N   H    sing N N 288 
TRP N   H2   sing N N 289 
TRP CA  C    sing N N 290 
TRP CA  CB   sing N N 291 
TRP CA  HA   sing N N 292 
TRP C   O    doub N N 293 
TRP C   OXT  sing N N 294 
TRP CB  CG   sing N N 295 
TRP CB  HB2  sing N N 296 
TRP CB  HB3  sing N N 297 
TRP CG  CD1  doub Y N 298 
TRP CG  CD2  sing Y N 299 
TRP CD1 NE1  sing Y N 300 
TRP CD1 HD1  sing N N 301 
TRP CD2 CE2  doub Y N 302 
TRP CD2 CE3  sing Y N 303 
TRP NE1 CE2  sing Y N 304 
TRP NE1 HE1  sing N N 305 
TRP CE2 CZ2  sing Y N 306 
TRP CE3 CZ3  doub Y N 307 
TRP CE3 HE3  sing N N 308 
TRP CZ2 CH2  doub Y N 309 
TRP CZ2 HZ2  sing N N 310 
TRP CZ3 CH2  sing Y N 311 
TRP CZ3 HZ3  sing N N 312 
TRP CH2 HH2  sing N N 313 
TRP OXT HXT  sing N N 314 
TYR N   CA   sing N N 315 
TYR N   H    sing N N 316 
TYR N   H2   sing N N 317 
TYR CA  C    sing N N 318 
TYR CA  CB   sing N N 319 
TYR CA  HA   sing N N 320 
TYR C   O    doub N N 321 
TYR C   OXT  sing N N 322 
TYR CB  CG   sing N N 323 
TYR CB  HB2  sing N N 324 
TYR CB  HB3  sing N N 325 
TYR CG  CD1  doub Y N 326 
TYR CG  CD2  sing Y N 327 
TYR CD1 CE1  sing Y N 328 
TYR CD1 HD1  sing N N 329 
TYR CD2 CE2  doub Y N 330 
TYR CD2 HD2  sing N N 331 
TYR CE1 CZ   doub Y N 332 
TYR CE1 HE1  sing N N 333 
TYR CE2 CZ   sing Y N 334 
TYR CE2 HE2  sing N N 335 
TYR CZ  OH   sing N N 336 
TYR OH  HH   sing N N 337 
TYR OXT HXT  sing N N 338 
VAL N   CA   sing N N 339 
VAL N   H    sing N N 340 
VAL N   H2   sing N N 341 
VAL CA  C    sing N N 342 
VAL CA  CB   sing N N 343 
VAL CA  HA   sing N N 344 
VAL C   O    doub N N 345 
VAL C   OXT  sing N N 346 
VAL CB  CG1  sing N N 347 
VAL CB  CG2  sing N N 348 
VAL CB  HB   sing N N 349 
VAL CG1 HG11 sing N N 350 
VAL CG1 HG12 sing N N 351 
VAL CG1 HG13 sing N N 352 
VAL CG2 HG21 sing N N 353 
VAL CG2 HG22 sing N N 354 
VAL CG2 HG23 sing N N 355 
VAL OXT HXT  sing N N 356 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'National Science Foundation (NSF, United States)' 'United States' ? 1 
'Howard Hughes Medical Institute (HHMI)'           'United States' ? 2 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'in silico model' 
_pdbx_initial_refinement_model.source_name      Other 
_pdbx_initial_refinement_model.accession_code   ? 
_pdbx_initial_refinement_model.details          'de novo design model' 
# 
_space_group.name_H-M_alt     'P 21 21 21' 
_space_group.name_Hall        'P 2ac 2ab' 
_space_group.IT_number        19 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    9CC5 
_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]   0.029998 
_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]   0.028970 
_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]   0.007832 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . LEU A 1 2   ? 14.39656 9.98565   35.83649 1.000 37.88346 ? 2   LEU A N   1 
ATOM   2    C CA  . LEU A 1 2   ? 14.39350 9.16832   34.62754 1.000 36.03789 ? 2   LEU A CA  1 
ATOM   3    C C   . LEU A 1 2   ? 14.79567 10.02979  33.48376 1.000 33.96370 ? 2   LEU A C   1 
ATOM   4    O O   . LEU A 1 2   ? 14.29056 11.14617  33.32684 1.000 35.52100 ? 2   LEU A O   1 
ATOM   5    C CB  . LEU A 1 2   ? 13.02463 8.55580   34.37374 1.000 36.18273 ? 2   LEU A CB  1 
ATOM   6    C CG  . LEU A 1 2   ? 12.91526 7.76797   33.06848 1.000 32.21763 ? 2   LEU A CG  1 
ATOM   7    C CD1 . LEU A 1 2   ? 13.37209 6.27982   33.12697 1.000 31.61341 ? 2   LEU A CD1 1 
ATOM   8    C CD2 . LEU A 1 2   ? 11.46455 7.89006   32.59182 1.000 33.17409 ? 2   LEU A CD2 1 
ATOM   9    N N   . ILE A 1 3   ? 15.71297 9.55611   32.66781 1.000 32.12736 ? 3   ILE A N   1 
ATOM   10   C CA  . ILE A 1 3   ? 16.10162 10.27848  31.45810 1.000 32.54218 ? 3   ILE A CA  1 
ATOM   11   C C   . ILE A 1 3   ? 15.25491 9.71217   30.30675 1.000 31.48503 ? 3   ILE A C   1 
ATOM   12   O O   . ILE A 1 3   ? 15.26023 8.49511   30.06646 1.000 27.76999 ? 3   ILE A O   1 
ATOM   13   C CB  . ILE A 1 3   ? 17.60517 10.09139  31.18324 1.000 33.82007 ? 3   ILE A CB  1 
ATOM   14   C CG1 . ILE A 1 3   ? 18.43158 11.01215  32.06787 1.000 36.12412 ? 3   ILE A CG1 1 
ATOM   15   C CG2 . ILE A 1 3   ? 17.92183 10.46306  29.71584 1.000 35.81199 ? 3   ILE A CG2 1 
ATOM   16   C CD1 . ILE A 1 3   ? 18.69889 12.37905  31.45513 1.000 39.73331 ? 3   ILE A CD1 1 
ATOM   17   N N   . VAL A 1 4   ? 14.50591 10.54303  29.59026 1.000 24.56714 ? 4   VAL A N   1 
ATOM   18   C CA  . VAL A 1 4   ? 13.79469 10.04919  28.39672 1.000 25.35318 ? 4   VAL A CA  1 
ATOM   19   C C   . VAL A 1 4   ? 14.47635 10.57372  27.16126 1.000 26.35522 ? 4   VAL A C   1 
ATOM   20   O O   . VAL A 1 4   ? 14.55727 11.80182  26.97168 1.000 19.94080 ? 4   VAL A O   1 
ATOM   21   C CB  . VAL A 1 4   ? 12.33452 10.49634  28.36996 1.000 26.61367 ? 4   VAL A CB  1 
ATOM   22   C CG1 . VAL A 1 4   ? 11.69944 9.95671   27.08207 1.000 23.19839 ? 4   VAL A CG1 1 
ATOM   23   C CG2 . VAL A 1 4   ? 11.66068 9.97727   29.59230 1.000 26.43388 ? 4   VAL A CG2 1 
ATOM   24   N N   . ALA A 1 5   ? 14.95023 9.65755   26.30251 1.000 22.31258 ? 5   ALA A N   1 
ATOM   25   C CA  . ALA A 1 5   ? 15.54954 10.06716  25.03387 1.000 22.68384 ? 5   ALA A CA  1 
ATOM   26   C C   . ALA A 1 5   ? 14.45636 10.11326  23.97004 1.000 23.93563 ? 5   ALA A C   1 
ATOM   27   O O   . ALA A 1 5   ? 13.80196 9.09137   23.68617 1.000 19.02752 ? 5   ALA A O   1 
ATOM   28   C CB  . ALA A 1 5   ? 16.65413 9.08997   24.60052 1.000 24.02580 ? 5   ALA A CB  1 
ATOM   29   N N   . VAL A 1 6   ? 14.29905 11.25188  23.31652 1.000 19.93474 ? 6   VAL A N   1 
ATOM   30   C CA  . VAL A 1 6   ? 13.28581 11.37056  22.25807 1.000 24.76890 ? 6   VAL A CA  1 
ATOM   31   C C   . VAL A 1 6   ? 13.97639 11.47716  20.90898 1.000 25.12043 ? 6   VAL A C   1 
ATOM   32   O O   . VAL A 1 6   ? 14.76505 12.40445  20.65553 1.000 28.12037 ? 6   VAL A O   1 
ATOM   33   C CB  . VAL A 1 6   ? 12.34381 12.56064  22.52163 1.000 26.32123 ? 6   VAL A CB  1 
ATOM   34   C CG1 . VAL A 1 6   ? 11.77944 12.35445  23.86160 1.000 23.99210 ? 6   VAL A CG1 1 
ATOM   35   C CG2 . VAL A 1 6   ? 13.07967 13.91097  22.45072 1.000 30.73280 ? 6   VAL A CG2 1 
ATOM   36   N N   . ALA A 1 7   ? 13.68054 10.51464  20.03958 1.000 23.28128 ? 7   ALA A N   1 
ATOM   37   C CA  . ALA A 1 7   ? 14.19043 10.44192  18.69733 1.000 25.24924 ? 7   ALA A CA  1 
ATOM   38   C C   . ALA A 1 7   ? 13.57699 11.53627  17.85088 1.000 24.53192 ? 7   ALA A C   1 
ATOM   39   O O   . ALA A 1 7   ? 12.44999 11.98095  18.09049 1.000 22.01202 ? 7   ALA A O   1 
ATOM   40   C CB  . ALA A 1 7   ? 13.82223 9.10771   18.06086 1.000 24.04779 ? 7   ALA A CB  1 
ATOM   41   N N   . SER A 1 8   ? 14.33000 11.96347  16.86325 1.000 23.97212 ? 8   SER A N   1 
ATOM   42   C CA  . SER A 1 8   ? 13.75307 12.81646  15.83766 1.000 25.74495 ? 8   SER A CA  1 
ATOM   43   C C   . SER A 1 8   ? 12.65063 12.04857  15.13472 1.000 25.56902 ? 8   SER A C   1 
ATOM   44   O O   . SER A 1 8   ? 12.75031 10.81064  14.95646 1.000 21.03430 ? 8   SER A O   1 
ATOM   45   C CB  . SER A 1 8   ? 14.82362 13.27905  14.85027 1.000 29.14930 ? 8   SER A CB  1 
ATOM   46   O OG  . SER A 1 8   ? 14.21948 14.06973  13.82275 1.000 30.06857 ? 8   SER A OG  1 
ATOM   47   N N   . PRO A 1 9   ? 11.59149 12.74814  14.73001 1.000 24.53844 ? 9   PRO A N   1 
ATOM   48   C CA  . PRO A 1 9   ? 10.48748 12.07936  14.02712 1.000 24.44469 ? 9   PRO A CA  1 
ATOM   49   C C   . PRO A 1 9   ? 10.93543 11.36442  12.74665 1.000 25.97968 ? 9   PRO A C   1 
ATOM   50   O O   . PRO A 1 9   ? 11.83425 11.80279  12.03356 1.000 20.60254 ? 9   PRO A O   1 
ATOM   51   C CB  . PRO A 1 9   ? 9.50196  13.22789  13.72991 1.000 25.53154 ? 9   PRO A CB  1 
ATOM   52   C CG  . PRO A 1 9   ? 9.83276  14.32665  14.75931 1.000 25.40111 ? 9   PRO A CG  1 
ATOM   53   C CD  . PRO A 1 9   ? 11.33827 14.19044  15.00013 1.000 26.89726 ? 9   PRO A CD  1 
ATOM   54   N N   . VAL A 1 10  ? 10.34988 10.19755  12.51913 1.000 21.92646 ? 10  VAL A N   1 
ATOM   55   C CA  . VAL A 1 10  ? 10.55176 9.41991   11.30333 1.000 23.19652 ? 10  VAL A CA  1 
ATOM   56   C C   . VAL A 1 10  ? 9.34140  9.69894   10.41624 1.000 22.53831 ? 10  VAL A C   1 
ATOM   57   O O   . VAL A 1 10  ? 8.20720  9.34194   10.77518 1.000 19.52072 ? 10  VAL A O   1 
ATOM   58   C CB  . VAL A 1 10  ? 10.71667 7.91898   11.58160 1.000 22.82751 ? 10  VAL A CB  1 
ATOM   59   C CG1 . VAL A 1 10  ? 10.81423 7.18110   10.26815 1.000 20.62684 ? 10  VAL A CG1 1 
ATOM   60   C CG2 . VAL A 1 10  ? 12.02895 7.65557   12.38468 1.000 23.36644 ? 10  VAL A CG2 1 
ATOM   61   N N   . VAL A 1 11  ? 9.56231  10.45627  9.35659  1.000 21.36342 ? 11  VAL A N   1 
ATOM   62   C CA  . VAL A 1 11  ? 8.52265  10.80983  8.38593  1.000 22.01283 ? 11  VAL A CA  1 
ATOM   63   C C   . VAL A 1 11  ? 8.61400  9.82300   7.24006  1.000 26.50736 ? 11  VAL A C   1 
ATOM   64   O O   . VAL A 1 11  ? 9.67112  9.69988   6.61604  1.000 24.09107 ? 11  VAL A O   1 
ATOM   65   C CB  . VAL A 1 11  ? 8.69164  12.24236  7.85336  1.000 26.87309 ? 11  VAL A CB  1 
ATOM   66   C CG1 . VAL A 1 11  ? 7.73915  12.46702  6.63236  1.000 28.34734 ? 11  VAL A CG1 1 
ATOM   67   C CG2 . VAL A 1 11  ? 8.43381  13.26752  8.93082  1.000 26.29365 ? 11  VAL A CG2 1 
ATOM   68   N N   . VAL A 1 12  ? 7.50080  9.17454   6.91532  1.000 23.03352 ? 12  VAL A N   1 
ATOM   69   C CA  . VAL A 1 12  ? 7.45645  8.10175   5.90723  1.000 29.13042 ? 12  VAL A CA  1 
ATOM   70   C C   . VAL A 1 12  ? 6.61271  8.52011   4.70420  1.000 33.58935 ? 12  VAL A C   1 
ATOM   71   O O   . VAL A 1 12  ? 5.51250  9.06642   4.85900  1.000 31.59299 ? 12  VAL A O   1 
ATOM   72   C CB  . VAL A 1 12  ? 6.90453  6.79895   6.49970  1.000 29.15006 ? 12  VAL A CB  1 
ATOM   73   C CG1 . VAL A 1 12  ? 6.99722  5.63274   5.46886  1.000 32.08586 ? 12  VAL A CG1 1 
ATOM   74   C CG2 . VAL A 1 12  ? 7.61636  6.43855   7.80144  1.000 26.35361 ? 12  VAL A CG2 1 
ATOM   75   N N   . ALA A 1 13  ? 7.15619  8.30320   3.50111  1.000 39.27235 ? 13  ALA A N   1 
ATOM   76   C CA  . ALA A 1 13  ? 6.36612  8.28116   2.26494  1.000 42.84468 ? 13  ALA A CA  1 
ATOM   77   C C   . ALA A 1 13  ? 5.96814  9.66735   1.75395  1.000 47.83693 ? 13  ALA A C   1 
ATOM   78   O O   . ALA A 1 13  ? 4.97248  9.81719   1.02671  1.000 47.62346 ? 13  ALA A O   1 
ATOM   79   C CB  . ALA A 1 13  ? 5.11483  7.41323   2.47160  1.000 42.44499 ? 13  ALA A CB  1 
ATOM   80   N N   . ALA A 1 14  ? 6.73742  10.68996  2.10972  1.000 41.22156 ? 14  ALA A N   1 
ATOM   81   C CA  . ALA A 1 14  ? 6.43566  12.03198  1.62756  1.000 43.49617 ? 14  ALA A CA  1 
ATOM   82   C C   . ALA A 1 14  ? 6.66995  12.14149  0.11562  1.000 44.35571 ? 14  ALA A C   1 
ATOM   83   O O   . ALA A 1 14  ? 7.63080  11.58740  -0.42613 1.000 44.97553 ? 14  ALA A O   1 
ATOM   84   C CB  . ALA A 1 14  ? 7.28920  13.05260  2.37923  1.000 41.39552 ? 14  ALA A CB  1 
ATOM   85   N N   . HIS A 1 15  ? 5.78335  12.87399  -0.56572 1.000 45.12512 ? 15  HIS A N   1 
ATOM   86   C CA  . HIS A 1 15  ? 5.80312  12.93702  -2.02209 1.000 44.90700 ? 15  HIS A CA  1 
ATOM   87   C C   . HIS A 1 15  ? 6.65410  14.07115  -2.52778 1.000 45.04600 ? 15  HIS A C   1 
ATOM   88   O O   . HIS A 1 15  ? 6.98276  14.09966  -3.72193 1.000 46.05703 ? 15  HIS A O   1 
ATOM   89   C CB  . HIS A 1 15  ? 4.40021  13.14137  -2.62325 1.000 43.87240 ? 15  HIS A CB  1 
ATOM   90   C CG  . HIS A 1 15  ? 3.58159  11.89969  -2.67056 1.000 44.69979 ? 15  HIS A CG  1 
ATOM   91   N ND1 . HIS A 1 15  ? 2.20219  11.91995  -2.68998 1.000 43.42983 ? 15  HIS A ND1 1 
ATOM   92   C CD2 . HIS A 1 15  ? 3.93965  10.60144  -2.55444 1.000 45.18124 ? 15  HIS A CD2 1 
ATOM   93   C CE1 . HIS A 1 15  ? 1.75110  10.68065  -2.68829 1.000 44.66990 ? 15  HIS A CE1 1 
ATOM   94   N NE2 . HIS A 1 15  ? 2.78292  9.86225   -2.58591 1.000 50.35157 ? 15  HIS A NE2 1 
ATOM   95   N N   . SER A 1 16  ? 6.97631  15.02287  -1.66500 1.000 42.40275 ? 16  SER A N   1 
ATOM   96   C CA  . SER A 1 16  ? 7.85440  16.11406  -2.04177 1.000 41.53846 ? 16  SER A CA  1 
ATOM   97   C C   . SER A 1 16  ? 8.62974  16.53631  -0.80786 1.000 40.01891 ? 16  SER A C   1 
ATOM   98   O O   . SER A 1 16  ? 8.21994  16.23552  0.32487  1.000 38.03187 ? 16  SER A O   1 
ATOM   99   C CB  . SER A 1 16  ? 7.07985  17.30939  -2.61319 1.000 41.02861 ? 16  SER A CB  1 
ATOM   100  O OG  . SER A 1 16  ? 6.06543  17.73656  -1.71991 1.000 40.47716 ? 16  SER A OG  1 
ATOM   101  N N   . PRO A 1 17  ? 9.75226  17.23192  -0.98643 1.000 39.47174 ? 17  PRO A N   1 
ATOM   102  C CA  . PRO A 1 17  ? 10.43228 17.79423  0.18919  1.000 38.75817 ? 17  PRO A CA  1 
ATOM   103  C C   . PRO A 1 17  ? 9.57112  18.78761  0.94313  1.000 38.15282 ? 17  PRO A C   1 
ATOM   104  O O   . PRO A 1 17  ? 9.74932  18.94254  2.16079  1.000 37.04371 ? 17  PRO A O   1 
ATOM   105  C CB  . PRO A 1 17  ? 11.68636 18.46014  -0.39575 1.000 40.50850 ? 17  PRO A CB  1 
ATOM   106  C CG  . PRO A 1 17  ? 11.83941 17.84045  -1.79299 1.000 37.67369 ? 17  PRO A CG  1 
ATOM   107  C CD  . PRO A 1 17  ? 10.48517 17.46931  -2.24614 1.000 38.35927 ? 17  PRO A CD  1 
ATOM   108  N N   . GLU A 1 18  ? 8.67863  19.50849  0.26028  1.000 38.12122 ? 18  GLU A N   1 
ATOM   109  C CA  . GLU A 1 18  ? 7.81614  20.43460  0.99048  1.000 39.07158 ? 18  GLU A CA  1 
ATOM   110  C C   . GLU A 1 18  ? 6.84460  19.68712  1.88717  1.000 36.80558 ? 18  GLU A C   1 
ATOM   111  O O   . GLU A 1 18  ? 6.59850  20.10638  3.02344  1.000 34.85801 ? 18  GLU A O   1 
ATOM   112  C CB  . GLU A 1 18  ? 7.08491  21.37103  0.02818  1.000 41.85508 ? 18  GLU A CB  1 
ATOM   113  C CG  . GLU A 1 18  ? 8.03827  22.27600  -0.78501 1.000 43.87725 ? 18  GLU A CG  1 
ATOM   114  C CD  . GLU A 1 18  ? 8.82049  21.57524  -1.89398 1.000 44.79481 ? 18  GLU A CD  1 
ATOM   115  O OE1 . GLU A 1 18  ? 8.40173  20.48927  -2.34308 1.000 53.42787 ? 18  GLU A OE1 1 
ATOM   116  O OE2 . GLU A 1 18  ? 9.85899  22.12304  -2.31827 1.000 39.90215 ? 18  GLU A OE2 1 
ATOM   117  N N   . ASP A 1 19  ? 6.32879  18.55175  1.40753  1.000 36.11858 ? 19  ASP A N   1 
ATOM   118  C CA  . ASP A 1 19  ? 5.47539  17.69426  2.21221  1.000 35.12610 ? 19  ASP A CA  1 
ATOM   119  C C   . ASP A 1 19  ? 6.23654  17.05512  3.35784  1.000 34.07430 ? 19  ASP A C   1 
ATOM   120  O O   . ASP A 1 19  ? 5.65899  16.83713  4.43027  1.000 30.01255 ? 19  ASP A O   1 
ATOM   121  C CB  . ASP A 1 19  ? 4.83801  16.61203  1.35486  1.000 36.98836 ? 19  ASP A CB  1 
ATOM   122  C CG  . ASP A 1 19  ? 3.43084  16.98102  0.91088  1.000 41.07254 ? 19  ASP A CG  1 
ATOM   123  O OD1 . ASP A 1 19  ? 3.06753  18.17734  1.00041  1.000 42.66047 ? 19  ASP A OD1 1 
ATOM   124  O OD2 . ASP A 1 19  ? 2.68357  16.07668  0.48898  1.000 42.32833 ? 19  ASP A OD2 1 
ATOM   125  N N   . GLU A 1 20  ? 7.50168  16.67197  3.13122  1.000 31.77174 ? 20  GLU A N   1 
ATOM   126  C CA  . GLU A 1 20  ? 8.28727  16.09362  4.20848  1.000 34.37068 ? 20  GLU A CA  1 
ATOM   127  C C   . GLU A 1 20  ? 8.53949  17.13362  5.28833  1.000 32.64173 ? 20  GLU A C   1 
ATOM   128  O O   . GLU A 1 20  ? 8.43547  16.83706  6.47539  1.000 26.24248 ? 20  GLU A O   1 
ATOM   129  C CB  . GLU A 1 20  ? 9.60600  15.53863  3.66477  1.000 36.91462 ? 20  GLU A CB  1 
ATOM   130  C CG  . GLU A 1 20  ? 10.48184 14.90953  4.69952  1.000 42.36310 ? 20  GLU A CG  1 
ATOM   131  C CD  . GLU A 1 20  ? 11.43924 13.91523  4.08628  1.000 45.52197 ? 20  GLU A CD  1 
ATOM   132  O OE1 . GLU A 1 20  ? 11.00773 12.78480  3.77075  1.000 46.87196 ? 20  GLU A OE1 1 
ATOM   133  O OE2 . GLU A 1 20  ? 12.61802 14.27967  3.88822  1.000 48.75184 ? 20  GLU A OE2 1 
ATOM   134  N N   . GLU A 1 21  ? 8.82127  18.37524  4.90329  1.000 32.73400 ? 21  GLU A N   1 
ATOM   135  C CA  . GLU A 1 21  ? 9.08001  19.38597  5.93015  1.000 32.44687 ? 21  GLU A CA  1 
ATOM   136  C C   . GLU A 1 21  ? 7.81511  19.72295  6.69192  1.000 31.09488 ? 21  GLU A C   1 
ATOM   137  O O   . GLU A 1 21  ? 7.86454  19.96013  7.89908  1.000 27.94941 ? 21  GLU A O   1 
ATOM   138  C CB  . GLU A 1 21  ? 9.66345  20.65724  5.31266  1.000 38.12393 ? 21  GLU A CB  1 
ATOM   139  C CG  . GLU A 1 21  ? 10.18270 21.65371  6.30844  1.000 47.89224 ? 21  GLU A CG  1 
ATOM   140  C CD  . GLU A 1 21  ? 10.20623 23.07565  5.74708  1.000 63.63949 ? 21  GLU A CD  1 
ATOM   141  O OE1 . GLU A 1 21  ? 9.77459  23.25987  4.58191  1.000 65.40811 ? 21  GLU A OE1 1 
ATOM   142  O OE2 . GLU A 1 21  ? 10.67838 23.99727  6.46048  1.000 61.85075 ? 21  GLU A OE2 1 
ATOM   143  N N   . ARG A 1 22  ? 6.68028  19.76983  5.99804  1.000 27.44322 ? 22  ARG A N   1 
ATOM   144  C CA  . ARG A 1 22  ? 5.38348  19.93743  6.66054  1.000 28.82328 ? 22  ARG A CA  1 
ATOM   145  C C   . ARG A 1 22  ? 5.10441  18.80534  7.64193  1.000 27.37303 ? 22  ARG A C   1 
ATOM   146  O O   . ARG A 1 22  ? 4.58401  19.01437  8.76649  1.000 24.13374 ? 22  ARG A O   1 
ATOM   147  C CB  . ARG A 1 22  ? 4.30596  19.97807  5.58231  1.000 28.31391 ? 22  ARG A CB  1 
ATOM   148  C CG  . ARG A 1 22  ? 2.95412  20.05259  6.09153  1.000 29.81763 ? 22  ARG A CG  1 
ATOM   149  C CD  . ARG A 1 22  ? 1.96403  20.26207  4.92772  1.000 30.50617 ? 22  ARG A CD  1 
ATOM   150  N NE  . ARG A 1 22  ? 0.62080  20.36650  5.47633  1.000 32.58975 ? 22  ARG A NE  1 
ATOM   151  C CZ  . ARG A 1 22  ? -0.35740 19.50833  5.24168  1.000 34.00628 ? 22  ARG A CZ  1 
ATOM   152  N NH1 . ARG A 1 22  ? -0.18113 18.46541  4.43395  1.000 35.07483 ? 22  ARG A NH1 1 
ATOM   153  N NH2 . ARG A 1 22  ? -1.54301 19.71210  5.80917  1.000 34.83904 ? 22  ARG A NH2 1 
ATOM   154  N N   . ALA A 1 23  ? 5.47220  17.59255  7.25199  1.000 22.60340 ? 23  ALA A N   1 
ATOM   155  C CA  . ALA A 1 23  ? 5.27868  16.48577  8.17100  1.000 24.61261 ? 23  ALA A CA  1 
ATOM   156  C C   . ALA A 1 23  ? 6.23458  16.56896  9.33832  1.000 25.45191 ? 23  ALA A C   1 
ATOM   157  O O   . ALA A 1 23  ? 5.84603  16.24115  10.45293 1.000 17.92193 ? 23  ALA A O   1 
ATOM   158  C CB  . ALA A 1 23  ? 5.45235  15.14221  7.46105  1.000 23.03273 ? 23  ALA A CB  1 
ATOM   159  N N   . GLU A 1 24  ? 7.50655  16.90728  9.08613  1.000 24.23404 ? 24  GLU A N   1 
ATOM   160  C CA  . GLU A 1 24  ? 8.46247  17.09699  10.18266 1.000 26.38217 ? 24  GLU A CA  1 
ATOM   161  C C   . GLU A 1 24  ? 7.98132  18.12700  11.19004 1.000 27.99367 ? 24  GLU A C   1 
ATOM   162  O O   . GLU A 1 24  ? 8.13627  17.93462  12.40139 1.000 23.19193 ? 24  GLU A O   1 
ATOM   163  C CB  . GLU A 1 24  ? 9.81581  17.53902  9.63512  1.000 30.58180 ? 24  GLU A CB  1 
ATOM   164  C CG  . GLU A 1 24  ? 11.02632 17.18216  10.45275 1.000 38.82618 ? 24  GLU A CG  1 
ATOM   165  C CD  . GLU A 1 24  ? 11.25276 15.69523  10.63014 1.000 41.34531 ? 24  GLU A CD  1 
ATOM   166  O OE1 . GLU A 1 24  ? 11.12381 14.93243  9.65093  1.000 44.48839 ? 24  GLU A OE1 1 
ATOM   167  O OE2 . GLU A 1 24  ? 11.60345 15.30076  11.75217 1.000 40.29285 ? 24  GLU A OE2 1 
ATOM   168  N N   . LYS A 1 25  ? 7.43832  19.25542  10.71159 1.000 22.68468 ? 25  LYS A N   1 
ATOM   169  C CA  . LYS A 1 25  ? 6.98800  20.29024  11.62845 1.000 26.29631 ? 25  LYS A CA  1 
ATOM   170  C C   . LYS A 1 25  ? 5.82111  19.79625  12.46612 1.000 26.79866 ? 25  LYS A C   1 
ATOM   171  O O   . LYS A 1 25  ? 5.78181  20.00659  13.67535 1.000 23.75824 ? 25  LYS A O   1 
ATOM   172  C CB  . LYS A 1 25  ? 6.57588  21.52149  10.82812 1.000 30.05558 ? 25  LYS A CB  1 
ATOM   173  C CG  . LYS A 1 25  ? 7.79459  22.23529  10.21442 1.000 36.97271 ? 25  LYS A CG  1 
ATOM   174  C CD  . LYS A 1 25  ? 7.49530  23.66832  9.79694  1.000 39.76679 ? 25  LYS A CD  1 
ATOM   175  C CE  . LYS A 1 25  ? 8.73637  24.33728  9.15225  1.000 45.70143 ? 25  LYS A CE  1 
ATOM   176  N NZ  . LYS A 1 25  ? 9.95660  24.34505  10.03985 1.000 50.48358 ? 25  LYS A NZ  1 
ATOM   177  N N   . GLU A 1 26  ? 4.85032  19.15019  11.84134 1.000 24.02175 ? 26  GLU A N   1 
ATOM   178  C CA  . GLU A 1 26  ? 3.72616  18.66412  12.61836 1.000 26.85632 ? 26  GLU A CA  1 
ATOM   179  C C   . GLU A 1 26  ? 4.21744  17.65259  13.63438 1.000 24.50787 ? 26  GLU A C   1 
ATOM   180  O O   . GLU A 1 26  ? 3.80637  17.67956  14.79945 1.000 23.16140 ? 26  GLU A O   1 
ATOM   181  C CB  . GLU A 1 26  ? 2.66768  18.07845  11.67840 1.000 29.52231 ? 26  GLU A CB  1 
ATOM   182  C CG  . GLU A 1 26  ? 1.39581  17.46583  12.33681 1.000 33.12665 ? 26  GLU A CG  1 
ATOM   183  C CD  . GLU A 1 26  ? 0.52774  18.45853  13.10466 1.000 37.46077 ? 26  GLU A CD  1 
ATOM   184  O OE1 . GLU A 1 26  ? 0.74214  19.68607  13.00370 1.000 36.00107 ? 26  GLU A OE1 1 
ATOM   185  O OE2 . GLU A 1 26  ? -0.44296 18.00167  13.76024 1.000 40.88469 ? 26  GLU A OE2 1 
ATOM   186  N N   . ALA A 1 27  ? 5.15752  16.77166  13.22042 1.000 20.57304 ? 27  ALA A N   1 
ATOM   187  C CA  . ALA A 1 27  ? 5.60555  15.73087  14.13759 1.000 21.47152 ? 27  ALA A CA  1 
ATOM   188  C C   . ALA A 1 27  ? 6.46797  16.30171  15.26120 1.000 21.68781 ? 27  ALA A C   1 
ATOM   189  O O   . ALA A 1 27  ? 6.40682  15.82048  16.39396 1.000 19.30235 ? 27  ALA A O   1 
ATOM   190  C CB  . ALA A 1 27  ? 6.36104  14.63127  13.38338 1.000 22.38370 ? 27  ALA A CB  1 
ATOM   191  N N   . GLU A 1 28  ? 7.25548  17.32410  14.97395 1.000 21.17034 ? 28  GLU A N   1 
ATOM   192  C CA  . GLU A 1 28  ? 8.05068  18.00058  16.00166 1.000 24.37956 ? 28  GLU A CA  1 
ATOM   193  C C   . GLU A 1 28  ? 7.17762  18.70138  17.02966 1.000 23.89595 ? 28  GLU A C   1 
ATOM   194  O O   . GLU A 1 28  ? 7.46726  18.65312  18.22864 1.000 20.21705 ? 28  GLU A O   1 
ATOM   195  C CB  . GLU A 1 28  ? 8.97043  19.02335  15.33947 1.000 25.89746 ? 28  GLU A CB  1 
ATOM   196  C CG  . GLU A 1 28  ? 10.16936 18.40637  14.71499 1.000 33.10399 ? 28  GLU A CG  1 
ATOM   197  C CD  . GLU A 1 28  ? 11.17361 17.85133  15.72683 1.000 37.82743 ? 28  GLU A CD  1 
ATOM   198  O OE1 . GLU A 1 28  ? 10.91860 17.92042  16.96348 1.000 40.38956 ? 28  GLU A OE1 1 
ATOM   199  O OE2 . GLU A 1 28  ? 12.22794 17.36063  15.25644 1.000 39.43579 ? 28  GLU A OE2 1 
ATOM   200  N N   . ARG A 1 29  ? 6.09552  19.33666  16.57884 1.000 19.18489 ? 29  ARG A N   1 
ATOM   201  C CA  . ARG A 1 29  ? 5.13992  19.93153  17.51032 1.000 23.33829 ? 29  ARG A CA  1 
ATOM   202  C C   . ARG A 1 29  ? 4.49373  18.88343  18.41000 1.000 24.69958 ? 29  ARG A C   1 
ATOM   203  O O   . ARG A 1 29  ? 4.32541  19.11678  19.59931 1.000 24.11881 ? 29  ARG A O   1 
ATOM   204  C CB  . ARG A 1 29  ? 4.03692  20.66828  16.73509 1.000 25.76347 ? 29  ARG A CB  1 
ATOM   205  C CG  . ARG A 1 29  ? 4.53454  21.89581  16.00354 1.000 27.90172 ? 29  ARG A CG  1 
ATOM   206  C CD  . ARG A 1 29  ? 3.46964  22.41526  14.97735 1.000 31.25897 ? 29  ARG A CD  1 
ATOM   207  N NE  . ARG A 1 29  ? 4.06660  23.48307  14.17726 1.000 31.86391 ? 29  ARG A NE  1 
ATOM   208  C CZ  . ARG A 1 29  ? 3.94462  23.64173  12.86441 1.000 32.56981 ? 29  ARG A CZ  1 
ATOM   209  N NH1 . ARG A 1 29  ? 3.11945  22.89081  12.13825 1.000 32.73970 ? 29  ARG A NH1 1 
ATOM   210  N NH2 . ARG A 1 29  ? 4.66678  24.58100  12.26514 1.000 29.64987 ? 29  ARG A NH2 1 
ATOM   211  N N   . LEU A 1 30  ? 4.10175  17.72771  17.85000 1.000 22.43128 ? 30  LEU A N   1 
ATOM   212  C CA  . LEU A 1 30  ? 3.60388  16.63015  18.68394 1.000 25.92201 ? 30  LEU A CA  1 
ATOM   213  C C   . LEU A 1 30  ? 4.64858  16.19179  19.70989 1.000 21.86232 ? 30  LEU A C   1 
ATOM   214  O O   . LEU A 1 30  ? 4.33834  16.01672  20.88878 1.000 22.36858 ? 30  LEU A O   1 
ATOM   215  C CB  . LEU A 1 30  ? 3.19232  15.44378  17.79445 1.000 23.04782 ? 30  LEU A CB  1 
ATOM   216  C CG  . LEU A 1 30  ? 2.64567  14.30180  18.63475 1.000 25.87743 ? 30  LEU A CG  1 
ATOM   217  C CD1 . LEU A 1 30  ? 1.45149  14.77773  19.44877 1.000 28.49734 ? 30  LEU A CD1 1 
ATOM   218  C CD2 . LEU A 1 30  ? 2.34099  13.08244  17.71144 1.000 26.37345 ? 30  LEU A CD2 1 
ATOM   219  N N   . ARG A 1 31  ? 5.89390  15.99956  19.25370 1.000 24.00056 ? 31  ARG A N   1 
ATOM   220  C CA  . ARG A 1 31  ? 6.97879  15.58802  20.13625 1.000 21.84322 ? 31  ARG A CA  1 
ATOM   221  C C   . ARG A 1 31  ? 7.24029  16.62354  21.18578 1.000 24.74159 ? 31  ARG A C   1 
ATOM   222  O O   . ARG A 1 31  ? 7.40069  16.28580  22.35665 1.000 23.98639 ? 31  ARG A O   1 
ATOM   223  C CB  . ARG A 1 31  ? 8.26478  15.34733  19.37115 1.000 24.59429 ? 31  ARG A CB  1 
ATOM   224  C CG  . ARG A 1 31  ? 9.39146  14.88340  20.24898 1.000 25.42526 ? 31  ARG A CG  1 
ATOM   225  C CD  . ARG A 1 31  ? 10.58421 14.51056  19.40842 1.000 27.98161 ? 31  ARG A CD  1 
ATOM   226  N NE  . ARG A 1 31  ? 11.22161 15.69416  18.88429 1.000 29.41213 ? 31  ARG A NE  1 
ATOM   227  C CZ  . ARG A 1 31  ? 12.52977 15.87860  18.79874 1.000 34.54015 ? 31  ARG A CZ  1 
ATOM   228  N NH1 . ARG A 1 31  ? 13.38431 14.90096  19.05952 1.000 31.17059 ? 31  ARG A NH1 1 
ATOM   229  N NH2 . ARG A 1 31  ? 12.98821 17.07256  18.42388 1.000 34.27322 ? 31  ARG A NH2 1 
ATOM   230  N N   . ARG A 1 32  ? 7.26602  17.88602  20.79765 1.000 20.95446 ? 32  ARG A N   1 
ATOM   231  C CA  . ARG A 1 32  ? 7.45629  18.92900  21.80284 1.000 26.28812 ? 32  ARG A CA  1 
ATOM   232  C C   . ARG A 1 32  ? 6.34295  18.92348  22.86531 1.000 26.36292 ? 32  ARG A C   1 
ATOM   233  O O   . ARG A 1 32  ? 6.62389  19.06464  24.07023 1.000 26.57891 ? 32  ARG A O   1 
ATOM   234  C CB  . ARG A 1 32  ? 7.59556  20.27900  21.10247 1.000 26.62519 ? 32  ARG A CB  1 
ATOM   235  C CG  . ARG A 1 32  ? 7.59700  21.50872  22.04874 1.000 32.63182 ? 32  ARG A CG  1 
ATOM   236  C CD  . ARG A 1 32  ? 7.42589  22.85722  21.26461 1.000 40.82125 ? 32  ARG A CD  1 
ATOM   237  N NE  . ARG A 1 32  ? 7.65927  24.01348  22.13750 1.000 49.55190 ? 32  ARG A NE  1 
ATOM   238  C CZ  . ARG A 1 32  ? 7.75397  25.27508  21.72741 1.000 53.70682 ? 32  ARG A CZ  1 
ATOM   239  N NH1 . ARG A 1 32  ? 7.76736  25.58457  20.44211 1.000 58.30646 ? 32  ARG A NH1 1 
ATOM   240  N NH2 . ARG A 1 32  ? 7.78623  26.25329  22.63259 1.000 48.27376 ? 32  ARG A NH2 1 
ATOM   241  N N   . ARG A 1 33  ? 5.08102  18.77011  22.46141 1.000 23.77738 ? 33  ARG A N   1 
ATOM   242  C CA  . ARG A 1 33  ? 3.99481  18.74488  23.44838 1.000 26.14726 ? 33  ARG A CA  1 
ATOM   243  C C   . ARG A 1 33  ? 4.16073  17.54644  24.37388 1.000 26.16842 ? 33  ARG A C   1 
ATOM   244  O O   . ARG A 1 33  ? 3.94288  17.62961  25.58444 1.000 25.90045 ? 33  ARG A O   1 
ATOM   245  C CB  . ARG A 1 33  ? 2.63666  18.67537  22.72321 1.000 29.48562 ? 33  ARG A CB  1 
ATOM   246  C CG  . ARG A 1 33  ? 2.16437  19.96222  22.09481 1.000 35.96778 ? 33  ARG A CG  1 
ATOM   247  C CD  . ARG A 1 33  ? 0.67400  19.87035  21.65911 1.000 55.62289 ? 33  ARG A CD  1 
ATOM   248  N NE  . ARG A 1 33  ? 0.51460  18.96030  20.51333 1.000 63.15502 ? 33  ARG A NE  1 
ATOM   249  C CZ  . ARG A 1 33  ? 0.40638  19.30469  19.22952 1.000 44.84514 ? 33  ARG A CZ  1 
ATOM   250  N NH1 . ARG A 1 33  ? 0.43375  20.57070  18.83905 1.000 47.02177 ? 33  ARG A NH1 1 
ATOM   251  N NH2 . ARG A 1 33  ? 0.29980  18.34972  18.30687 1.000 40.63588 ? 33  ARG A NH2 1 
ATOM   252  N N   . PHE A 1 34  ? 4.52835  16.39881  23.82134 1.000 20.62747 ? 34  PHE A N   1 
ATOM   253  C CA  . PHE A 1 34  ? 4.71229  15.25243  24.67601 1.000 22.98495 ? 34  PHE A CA  1 
ATOM   254  C C   . PHE A 1 34  ? 5.86106  15.48719  25.64894 1.000 25.57242 ? 34  PHE A C   1 
ATOM   255  O O   . PHE A 1 34  ? 5.77758  15.12627  26.82844 1.000 20.13173 ? 34  PHE A O   1 
ATOM   256  C CB  . PHE A 1 34  ? 4.98446  14.01110  23.84518 1.000 23.94015 ? 34  PHE A CB  1 
ATOM   257  C CG  . PHE A 1 34  ? 4.86601  12.74391  24.63947 1.000 26.67076 ? 34  PHE A CG  1 
ATOM   258  C CD1 . PHE A 1 34  ? 3.63508  12.34214  25.11462 1.000 27.08333 ? 34  PHE A CD1 1 
ATOM   259  C CD2 . PHE A 1 34  ? 6.00316  12.00112  24.95632 1.000 26.98278 ? 34  PHE A CD2 1 
ATOM   260  C CE1 . PHE A 1 34  ? 3.51469  11.16439  25.86482 1.000 31.41116 ? 34  PHE A CE1 1 
ATOM   261  C CE2 . PHE A 1 34  ? 5.91223  10.82689  25.70559 1.000 26.59449 ? 34  PHE A CE2 1 
ATOM   262  C CZ  . PHE A 1 34  ? 4.67507  10.40440  26.15400 1.000 31.01709 ? 34  PHE A CZ  1 
ATOM   263  N N   . ALA A 1 35  ? 6.91843  16.12814  25.18737 1.000 20.62240 ? 35  ALA A N   1 
ATOM   264  C CA  . ALA A 1 35  ? 8.09285  16.27980  26.04326 1.000 26.05124 ? 35  ALA A CA  1 
ATOM   265  C C   . ALA A 1 35  ? 7.80500  17.25343  27.17492 1.000 25.60935 ? 35  ALA A C   1 
ATOM   266  O O   . ALA A 1 35  ? 8.18532  17.02815  28.33207 1.000 24.26947 ? 35  ALA A O   1 
ATOM   267  C CB  . ALA A 1 35  ? 9.26752  16.75629  25.18865 1.000 25.20326 ? 35  ALA A CB  1 
ATOM   268  N N   . GLU A 1 36  ? 7.07633  18.31080  26.87203 1.000 22.21738 ? 36  GLU A N   1 
ATOM   269  C CA  . GLU A 1 36  ? 6.62665  19.21227  27.94027 1.000 27.74178 ? 36  GLU A CA  1 
ATOM   270  C C   . GLU A 1 36  ? 5.78829  18.46765  28.97756 1.000 28.87053 ? 36  GLU A C   1 
ATOM   271  O O   . GLU A 1 36  ? 5.87547  18.73037  30.18630 1.000 24.40561 ? 36  GLU A O   1 
ATOM   272  C CB  . GLU A 1 36  ? 5.81289  20.34105  27.30824 1.000 28.06381 ? 36  GLU A CB  1 
ATOM   273  C CG  . GLU A 1 36  ? 6.67977  21.14662  26.43563 1.000 33.02748 ? 36  GLU A CG  1 
ATOM   274  C CD  . GLU A 1 36  ? 5.98819  22.32604  25.77056 1.000 42.85118 ? 36  GLU A CD  1 
ATOM   275  O OE1 . GLU A 1 36  ? 4.85643  22.68428  26.17517 1.000 67.81150 ? 36  GLU A OE1 1 
ATOM   276  O OE2 . GLU A 1 36  ? 6.59900  22.85184  24.80565 1.000 44.64911 ? 36  GLU A OE2 1 
ATOM   277  N N   . GLU A 1 37  ? 4.97278  17.52356  28.52872 1.000 26.27976 ? 37  GLU A N   1 
ATOM   278  C CA  . GLU A 1 37  ? 4.20595  16.72206  29.47029 1.000 29.29332 ? 37  GLU A CA  1 
ATOM   279  C C   . GLU A 1 37  ? 5.10333  15.87297  30.36221 1.000 30.10340 ? 37  GLU A C   1 
ATOM   280  O O   . GLU A 1 37  ? 4.85724  15.75487  31.57200 1.000 28.18738 ? 37  GLU A O   1 
ATOM   281  C CB  . GLU A 1 37  ? 3.22608  15.83272  28.69974 1.000 31.22908 ? 37  GLU A CB  1 
ATOM   282  C CG  . GLU A 1 37  ? 2.06916  16.62526  28.24289 1.000 33.81337 ? 37  GLU A CG  1 
ATOM   283  C CD  . GLU A 1 37  ? 1.35001  17.25266  29.41011 1.000 47.89974 ? 37  GLU A CD  1 
ATOM   284  O OE1 . GLU A 1 37  ? 1.07107  18.46355  29.32739 1.000 49.30883 ? 37  GLU A OE1 1 
ATOM   285  O OE2 . GLU A 1 37  ? 1.02297  16.50570  30.36909 1.000 46.30946 ? 37  GLU A OE2 1 
ATOM   286  N N   . LEU A 1 38  ? 6.08959  15.19498  29.76062 1.000 24.05123 ? 38  LEU A N   1 
ATOM   287  C CA  . LEU A 1 38  ? 7.06683  14.44704  30.54162 1.000 27.42362 ? 38  LEU A CA  1 
ATOM   288  C C   . LEU A 1 38  ? 7.76529  15.33449  31.58504 1.000 28.54010 ? 38  LEU A C   1 
ATOM   289  O O   . LEU A 1 38  ? 7.95692  14.93392  32.74185 1.000 27.53516 ? 38  LEU A O   1 
ATOM   290  C CB  . LEU A 1 38  ? 8.10190  13.84637  29.58996 1.000 24.98021 ? 38  LEU A CB  1 
ATOM   291  C CG  . LEU A 1 38  ? 7.58669  12.78739  28.60597 1.000 23.79757 ? 38  LEU A CG  1 
ATOM   292  C CD1 . LEU A 1 38  ? 8.75713  12.39304  27.74284 1.000 24.73006 ? 38  LEU A CD1 1 
ATOM   293  C CD2 . LEU A 1 38  ? 7.03800  11.60803  29.38167 1.000 27.12687 ? 38  LEU A CD2 1 
ATOM   294  N N   . ARG A 1 39  ? 8.21041  16.51161  31.17836 1.000 22.38905 ? 39  ARG A N   1 
ATOM   295  C CA  . ARG A 1 39  ? 8.89949  17.40493  32.12386 1.000 28.04288 ? 39  ARG A CA  1 
ATOM   296  C C   . ARG A 1 39  ? 7.98552  17.85372  33.27114 1.000 28.56586 ? 39  ARG A C   1 
ATOM   297  O O   . ARG A 1 39  ? 8.44023  17.96674  34.42723 1.000 26.43305 ? 39  ARG A O   1 
ATOM   298  C CB  . ARG A 1 39  ? 9.47498  18.60959  31.37762 1.000 26.64435 ? 39  ARG A CB  1 
ATOM   299  C CG  . ARG A 1 39  ? 10.62452 18.22559  30.41484 1.000 25.65253 ? 39  ARG A CG  1 
ATOM   300  C CD  . ARG A 1 39  ? 11.50953 19.46944  30.06371 1.000 28.91249 ? 39  ARG A CD  1 
ATOM   301  N NE  . ARG A 1 39  ? 12.27763 19.24788  28.83447 1.000 30.15174 ? 39  ARG A NE  1 
ATOM   302  C CZ  . ARG A 1 39  ? 11.88309 19.63783  27.63656 1.000 30.78161 ? 39  ARG A CZ  1 
ATOM   303  N NH1 . ARG A 1 39  ? 10.70215 20.20400  27.44998 1.000 31.25165 ? 39  ARG A NH1 1 
ATOM   304  N NH2 . ARG A 1 39  ? 12.69306 19.46760  26.60081 1.000 33.07213 ? 39  ARG A NH2 1 
ATOM   305  N N   . LYS A 1 40  ? 6.68897  18.10081  32.98988 1.000 23.85743 ? 40  LYS A N   1 
ATOM   306  C CA  . LYS A 1 40  ? 5.72176  18.29503  34.09440 1.000 30.73056 ? 40  LYS A CA  1 
ATOM   307  C C   . LYS A 1 40  ? 5.73688  17.16907  35.10586 1.000 32.40014 ? 40  LYS A C   1 
ATOM   308  O O   . LYS A 1 40  ? 5.44846  17.39146  36.29092 1.000 35.91744 ? 40  LYS A O   1 
ATOM   309  C CB  . LYS A 1 40  ? 4.29303  18.46059  33.57195 1.000 30.81249 ? 40  LYS A CB  1 
ATOM   310  C CG  . LYS A 1 40  ? 4.16426  19.80179  32.92677 1.000 31.37091 ? 40  LYS A CG  1 
ATOM   311  C CD  . LYS A 1 40  ? 2.72596  20.16378  32.60183 1.000 37.34276 ? 40  LYS A CD  1 
ATOM   312  C CE  . LYS A 1 40  ? 2.58405  20.28869  31.13214 1.000 39.43660 ? 40  LYS A CE  1 
ATOM   313  N NZ  . LYS A 1 40  ? 1.30650  20.93691  30.72213 1.000 46.97449 ? 40  LYS A NZ  1 
ATOM   314  N N   . LYS A 1 41  ? 6.02817  15.94733  34.65970 1.000 31.98768 ? 41  LYS A N   1 
ATOM   315  C CA  . LYS A 1 41  ? 6.10961  14.82440  35.57243 1.000 37.75192 ? 41  LYS A CA  1 
ATOM   316  C C   . LYS A 1 41  ? 7.48749  14.71368  36.21586 1.000 37.28415 ? 41  LYS A C   1 
ATOM   317  O O   . LYS A 1 41  ? 7.72307  13.78206  36.99397 1.000 38.75985 ? 41  LYS A O   1 
ATOM   318  C CB  . LYS A 1 41  ? 5.72602  13.53837  34.81701 1.000 38.57254 ? 41  LYS A CB  1 
ATOM   319  C CG  . LYS A 1 41  ? 4.39504  13.70862  34.06309 1.000 41.86933 ? 41  LYS A CG  1 
ATOM   320  C CD  . LYS A 1 41  ? 3.25840  12.84233  34.59586 1.000 53.78422 ? 41  LYS A CD  1 
ATOM   321  C CE  . LYS A 1 41  ? 2.49558  12.14312  33.45967 1.000 57.52180 ? 41  LYS A CE  1 
ATOM   322  N NZ  . LYS A 1 41  ? 1.65465  10.98137  33.94105 1.000 65.97550 ? 41  LYS A NZ  1 
ATOM   323  N N   . GLY A 1 42  ? 8.39722  15.64248  35.89606 1.000 32.66312 ? 42  GLY A N   1 
ATOM   324  C CA  . GLY A 1 42  ? 9.72644  15.67624  36.48487 1.000 34.18677 ? 42  GLY A CA  1 
ATOM   325  C C   . GLY A 1 42  ? 10.81321 14.97440  35.68421 1.000 33.23224 ? 42  GLY A C   1 
ATOM   326  O O   . GLY A 1 42  ? 11.98660 15.01656  36.09445 1.000 29.29100 ? 42  GLY A O   1 
ATOM   327  N N   . PHE A 1 43  ? 10.48156 14.35592  34.53287 1.000 30.23161 ? 43  PHE A N   1 
ATOM   328  C CA  . PHE A 1 43  ? 11.47861 13.58294  33.81197 1.000 29.71864 ? 43  PHE A CA  1 
ATOM   329  C C   . PHE A 1 43  ? 12.37360 14.49138  33.00756 1.000 29.56405 ? 43  PHE A C   1 
ATOM   330  O O   . PHE A 1 43  ? 11.91896 15.45583  32.38100 1.000 29.01043 ? 43  PHE A O   1 
ATOM   331  C CB  . PHE A 1 43  ? 10.84186 12.57421  32.85226 1.000 31.25085 ? 43  PHE A CB  1 
ATOM   332  C CG  . PHE A 1 43  ? 9.96618  11.58943  33.52454 1.000 33.22308 ? 43  PHE A CG  1 
ATOM   333  C CD1 . PHE A 1 43  ? 10.31185 11.10406  34.78862 1.000 34.67467 ? 43  PHE A CD1 1 
ATOM   334  C CD2 . PHE A 1 43  ? 8.81754  11.12498  32.90773 1.000 34.08848 ? 43  PHE A CD2 1 
ATOM   335  C CE1 . PHE A 1 43  ? 9.49134  10.18464  35.44935 1.000 35.51349 ? 43  PHE A CE1 1 
ATOM   336  C CE2 . PHE A 1 43  ? 7.97807  10.19674  33.56160 1.000 36.46627 ? 43  PHE A CE2 1 
ATOM   337  C CZ  . PHE A 1 43  ? 8.33240  9.72362   34.83393 1.000 38.05658 ? 43  PHE A CZ  1 
ATOM   338  N N   . GLU A 1 44  ? 13.64289 14.13388  32.96240 1.000 30.60099 ? 44  GLU A N   1 
ATOM   339  C CA  . GLU A 1 44  ? 14.56713 14.80181  32.07498 1.000 30.07560 ? 44  GLU A CA  1 
ATOM   340  C C   . GLU A 1 44  ? 14.40451 14.27517  30.66244 1.000 31.53259 ? 44  GLU A C   1 
ATOM   341  O O   . GLU A 1 44  ? 14.24630 13.06375  30.43728 1.000 30.45856 ? 44  GLU A O   1 
ATOM   342  C CB  . GLU A 1 44  ? 15.99671 14.61092  32.57712 1.000 32.66458 ? 44  GLU A CB  1 
ATOM   343  C CG  . GLU A 1 44  ? 16.97045 15.41907  31.83460 1.000 36.93413 ? 44  GLU A CG  1 
ATOM   344  C CD  . GLU A 1 44  ? 18.25302 15.57047  32.59499 1.000 44.52496 ? 44  GLU A CD  1 
ATOM   345  O OE1 . GLU A 1 44  ? 18.39157 14.95299  33.69401 1.000 43.07852 ? 44  GLU A OE1 1 
ATOM   346  O OE2 . GLU A 1 44  ? 19.09952 16.34321  32.11430 1.000 55.83004 ? 44  GLU A OE2 1 
ATOM   347  N N   . VAL A 1 45  ? 14.40460 15.18227  29.69406 1.000 26.60679 ? 45  VAL A N   1 
ATOM   348  C CA  . VAL A 1 45  ? 14.21875 14.79342  28.30164 1.000 29.51954 ? 45  VAL A CA  1 
ATOM   349  C C   . VAL A 1 45  ? 15.49012 15.13316  27.53511 1.000 29.98163 ? 45  VAL A C   1 
ATOM   350  O O   . VAL A 1 45  ? 15.97657 16.26365  27.61231 1.000 31.52061 ? 45  VAL A O   1 
ATOM   351  C CB  . VAL A 1 45  ? 12.96655 15.47430  27.71880 1.000 28.96381 ? 45  VAL A CB  1 
ATOM   352  C CG1 . VAL A 1 45  ? 12.73682 15.05419  26.27418 1.000 28.38500 ? 45  VAL A CG1 1 
ATOM   353  C CG2 . VAL A 1 45  ? 11.71335 15.14228  28.58822 1.000 26.86608 ? 45  VAL A CG2 1 
ATOM   354  N N   . VAL A 1 46  ? 16.05852 14.14836  26.84405 1.000 24.67147 ? 46  VAL A N   1 
ATOM   355  C CA  . VAL A 1 46  ? 17.27227 14.33921  26.05734 1.000 28.44464 ? 46  VAL A CA  1 
ATOM   356  C C   . VAL A 1 46  ? 17.03007 13.92493  24.61011 1.000 28.71621 ? 46  VAL A C   1 
ATOM   357  O O   . VAL A 1 46  ? 16.07981 13.20580  24.27910 1.000 24.52086 ? 46  VAL A O   1 
ATOM   358  C CB  . VAL A 1 46  ? 18.49421 13.57967  26.63901 1.000 28.08793 ? 46  VAL A CB  1 
ATOM   359  C CG1 . VAL A 1 46  ? 18.59088 13.78822  28.14806 1.000 31.90917 ? 46  VAL A CG1 1 
ATOM   360  C CG2 . VAL A 1 46  ? 18.33995 12.10099  26.41956 1.000 28.65751 ? 46  VAL A CG2 1 
ATOM   361  N N   . GLU A 1 47  ? 17.94254 14.34689  23.74787 1.000 29.21812 ? 47  GLU A N   1 
ATOM   362  C CA  . GLU A 1 47  ? 17.90049 14.03951  22.32137 1.000 32.31973 ? 47  GLU A CA  1 
ATOM   363  C C   . GLU A 1 47  ? 19.05598 13.11630  21.94945 1.000 30.71238 ? 47  GLU A C   1 
ATOM   364  O O   . GLU A 1 47  ? 20.04212 13.00211  22.68090 1.000 33.78331 ? 47  GLU A O   1 
ATOM   365  C CB  . GLU A 1 47  ? 17.95875 15.33782  21.48256 1.000 32.32783 ? 47  GLU A CB  1 
ATOM   366  C CG  . GLU A 1 47  ? 16.70560 16.20270  21.60769 1.000 36.74881 ? 47  GLU A CG  1 
ATOM   367  C CD  . GLU A 1 47  ? 16.80392 17.54315  20.86551 1.000 41.61214 ? 47  GLU A CD  1 
ATOM   368  O OE1 . GLU A 1 47  ? 16.99452 17.54336  19.63759 1.000 42.41295 ? 47  GLU A OE1 1 
ATOM   369  O OE2 . GLU A 1 47  ? 16.70039 18.60596  21.51993 1.000 47.19279 ? 47  GLU A OE2 1 
ATOM   370  N N   . LEU A 1 48  ? 18.91419 12.43709  20.80954 1.000 30.41376 ? 48  LEU A N   1 
ATOM   371  C CA  . LEU A 1 48  ? 19.98313 11.63330  20.21026 1.000 33.39358 ? 48  LEU A CA  1 
ATOM   372  C C   . LEU A 1 48  ? 20.83325 12.47668  19.25918 1.000 33.74452 ? 48  LEU A C   1 
ATOM   373  O O   . LEU A 1 48  ? 20.43745 13.57423  18.87143 1.000 33.37485 ? 48  LEU A O   1 
ATOM   374  C CB  . LEU A 1 48  ? 19.40256 10.44688  19.42927 1.000 30.71192 ? 48  LEU A CB  1 
ATOM   375  C CG  . LEU A 1 48  ? 18.18721 9.71701   20.03410 1.000 32.53562 ? 48  LEU A CG  1 
ATOM   376  C CD1 . LEU A 1 48  ? 17.60921 8.59850   19.07431 1.000 30.37167 ? 48  LEU A CD1 1 
ATOM   377  C CD2 . LEU A 1 48  ? 18.51018 9.16522   21.37940 1.000 32.04577 ? 48  LEU A CD2 1 
ATOM   378  N N   . ASP A 1 49  ? 21.97083 11.92656  18.79604 1.000 35.52026 ? 49  ASP A N   1 
ATOM   379  C CA  . ASP A 1 49  ? 22.70672 12.68306  17.78664 1.000 37.86951 ? 49  ASP A CA  1 
ATOM   380  C C   . ASP A 1 49  ? 22.10669 12.41648  16.41423 1.000 38.30910 ? 49  ASP A C   1 
ATOM   381  O O   . ASP A 1 49  ? 21.32576 11.48168  16.23150 1.000 36.84340 ? 49  ASP A O   1 
ATOM   382  C CB  . ASP A 1 49  ? 24.22653 12.40207  17.82765 1.000 43.28280 ? 49  ASP A CB  1 
ATOM   383  C CG  . ASP A 1 49  ? 24.66449 11.04245  17.23982 1.000 46.58065 ? 49  ASP A CG  1 
ATOM   384  O OD1 . ASP A 1 49  ? 23.83292 10.22962  16.79718 1.000 44.26513 ? 49  ASP A OD1 1 
ATOM   385  O OD2 . ASP A 1 49  ? 25.89979 10.76448  17.28664 1.000 47.09135 ? 49  ASP A OD2 1 
ATOM   386  N N   . GLU A 1 50  ? 22.37673 13.33052  15.47929 1.000 40.21219 ? 50  GLU A N   1 
ATOM   387  C CA  . GLU A 1 50  ? 21.71987 13.27398  14.17776 1.000 41.96676 ? 50  GLU A CA  1 
ATOM   388  C C   . GLU A 1 50  ? 22.11327 12.02929  13.38229 1.000 39.84306 ? 50  GLU A C   1 
ATOM   389  O O   . GLU A 1 50  ? 21.30093 11.52940  12.59730 1.000 32.47890 ? 50  GLU A O   1 
ATOM   390  C CB  . GLU A 1 50  ? 22.00276 14.53955  13.37374 1.000 46.62362 ? 50  GLU A CB  1 
ATOM   391  C CG  . GLU A 1 50  ? 21.94703 15.82972  14.19062 1.000 53.33951 ? 50  GLU A CG  1 
ATOM   392  C CD  . GLU A 1 50  ? 22.98379 16.83415  13.77344 1.000 66.18666 ? 50  GLU A CD  1 
ATOM   393  O OE1 . GLU A 1 50  ? 23.73115 17.31487  14.65575 1.000 69.75326 ? 50  GLU A OE1 1 
ATOM   394  O OE2 . GLU A 1 50  ? 23.06210 17.13422  12.56061 1.000 81.59150 ? 50  GLU A OE2 1 
ATOM   395  N N   . GLU A 1 51  ? 23.32973 11.50005  13.57996 1.000 40.93670 ? 51  GLU A N   1 
ATOM   396  C CA  . GLU A 1 51  ? 23.67255 10.23577  12.93122 1.000 41.82429 ? 51  GLU A CA  1 
ATOM   397  C C   . GLU A 1 51  ? 22.78322 9.10901   13.42357 1.000 38.44590 ? 51  GLU A C   1 
ATOM   398  O O   . GLU A 1 51  ? 22.19942 8.38445   12.60586 1.000 36.20964 ? 51  GLU A O   1 
ATOM   399  C CB  . GLU A 1 51  ? 25.14548 9.88413   13.12474 1.000 41.73105 ? 51  GLU A CB  1 
ATOM   400  C CG  . GLU A 1 51  ? 25.96459 10.59527  12.10785 1.000 42.93469 ? 51  GLU A CG  1 
ATOM   401  C CD  . GLU A 1 51  ? 26.00158 12.05326  12.39552 1.000 47.84239 ? 51  GLU A CD  1 
ATOM   402  O OE1 . GLU A 1 51  ? 25.95319 12.42378  13.59056 1.000 46.89512 ? 51  GLU A OE1 1 
ATOM   403  O OE2 . GLU A 1 51  ? 25.98743 12.83372  11.42830 1.000 57.74071 ? 51  GLU A OE2 1 
ATOM   404  N N   . THR A 1 52  ? 22.66815 8.95306   14.75679 1.000 36.89488 ? 52  THR A N   1 
ATOM   405  C CA  . THR A 1 52  ? 21.80733 7.93034   15.33206 1.000 37.05481 ? 52  THR A CA  1 
ATOM   406  C C   . THR A 1 52  ? 20.36569 8.11238   14.86878 1.000 34.38907 ? 52  THR A C   1 
ATOM   407  O O   . THR A 1 52  ? 19.69205 7.14707   14.48372 1.000 30.86751 ? 52  THR A O   1 
ATOM   408  C CB  . THR A 1 52  ? 21.89896 7.98522   16.85832 1.000 36.95246 ? 52  THR A CB  1 
ATOM   409  O OG1 . THR A 1 52  ? 23.23954 7.70469   17.26837 1.000 39.79768 ? 52  THR A OG1 1 
ATOM   410  C CG2 . THR A 1 52  ? 20.96054 7.02927   17.51917 1.000 35.46061 ? 52  THR A CG2 1 
ATOM   411  N N   . ASP A 1 53  ? 19.87300 9.35389   14.90915 1.000 33.20136 ? 53  ASP A N   1 
ATOM   412  C CA  . ASP A 1 53  ? 18.53080 9.62941   14.40958 1.000 31.75255 ? 53  ASP A CA  1 
ATOM   413  C C   . ASP A 1 53  ? 18.38568 9.19669   12.94880 1.000 31.33228 ? 53  ASP A C   1 
ATOM   414  O O   . ASP A 1 53  ? 17.32873 8.70060   12.54204 1.000 27.43850 ? 53  ASP A O   1 
ATOM   415  C CB  . ASP A 1 53  ? 18.23170 11.12545  14.53326 1.000 32.43078 ? 53  ASP A CB  1 
ATOM   416  C CG  . ASP A 1 53  ? 17.53500 11.48045  15.80798 1.000 31.56782 ? 53  ASP A CG  1 
ATOM   417  O OD1 . ASP A 1 53  ? 16.79375 10.63419  16.33627 1.000 30.60187 ? 53  ASP A OD1 1 
ATOM   418  O OD2 . ASP A 1 53  ? 17.65811 12.64752  16.23947 1.000 33.21418 ? 53  ASP A OD2 1 
ATOM   419  N N   . GLU A 1 54  ? 19.43355 9.40377   12.12940 1.000 29.20370 ? 54  GLU A N   1 
ATOM   420  C CA  . GLU A 1 54  ? 19.27476 9.10114   10.70936 1.000 31.40025 ? 54  GLU A CA  1 
ATOM   421  C C   . GLU A 1 54  ? 19.34969 7.60057   10.49176 1.000 30.17741 ? 54  GLU A C   1 
ATOM   422  O O   . GLU A 1 54  ? 18.66967 7.05559   9.60997  1.000 28.33149 ? 54  GLU A O   1 
ATOM   423  C CB  . GLU A 1 54  ? 20.33872 9.84389   9.88527  1.000 33.90369 ? 54  GLU A CB  1 
ATOM   424  C CG  . GLU A 1 54  ? 20.44215 9.42660   8.40678  1.000 36.33469 ? 54  GLU A CG  1 
ATOM   425  C CD  . GLU A 1 54  ? 19.14928 9.56997   7.58219  1.000 37.69996 ? 54  GLU A CD  1 
ATOM   426  O OE1 . GLU A 1 54  ? 18.14311 10.19937  7.99049  1.000 35.88117 ? 54  GLU A OE1 1 
ATOM   427  O OE2 . GLU A 1 54  ? 19.13973 8.99273   6.49022  1.000 36.96737 ? 54  GLU A OE2 1 
ATOM   428  N N   . GLU A 1 55  ? 20.15006 6.92287   11.29875 1.000 28.56964 ? 55  GLU A N   1 
ATOM   429  C CA  . GLU A 1 55  ? 20.16064 5.47076   11.24687 1.000 30.97488 ? 55  GLU A CA  1 
ATOM   430  C C   . GLU A 1 55  ? 18.79875 4.91625   11.66560 1.000 29.19563 ? 55  GLU A C   1 
ATOM   431  O O   . GLU A 1 55  ? 18.31717 3.93715   11.09403 1.000 28.01376 ? 55  GLU A O   1 
ATOM   432  C CB  . GLU A 1 55  ? 21.27323 4.94553   12.16067 1.000 33.81355 ? 55  GLU A CB  1 
ATOM   433  C CG  . GLU A 1 55  ? 22.62623 5.01466   11.44160 1.000 37.97586 ? 55  GLU A CG  1 
ATOM   434  C CD  . GLU A 1 55  ? 22.61688 4.29322   10.09771 1.000 45.67249 ? 55  GLU A CD  1 
ATOM   435  O OE1 . GLU A 1 55  ? 22.11710 3.14792   10.01647 1.000 52.64357 ? 55  GLU A OE1 1 
ATOM   436  O OE2 . GLU A 1 55  ? 23.05670 4.90661   9.09519  1.000 48.04075 ? 55  GLU A OE2 1 
ATOM   437  N N   . LEU A 1 56  ? 18.21755 5.44769   12.75706 1.000 26.93867 ? 56  LEU A N   1 
ATOM   438  C CA  . LEU A 1 56  ? 16.87200 5.02065   13.12642 1.000 26.81997 ? 56  LEU A CA  1 
ATOM   439  C C   . LEU A 1 56  ? 15.90312 5.26247   11.98895 1.000 26.36968 ? 56  LEU A C   1 
ATOM   440  O O   . LEU A 1 56  ? 15.08619 4.39439   11.66674 1.000 24.00283 ? 56  LEU A O   1 
ATOM   441  C CB  . LEU A 1 56  ? 16.38121 5.75477   14.36375 1.000 26.52146 ? 56  LEU A CB  1 
ATOM   442  C CG  . LEU A 1 56  ? 14.85949 5.68573   14.62090 1.000 26.91954 ? 56  LEU A CG  1 
ATOM   443  C CD1 . LEU A 1 56  ? 14.43083 4.31809   15.17389 1.000 28.25990 ? 56  LEU A CD1 1 
ATOM   444  C CD2 . LEU A 1 56  ? 14.42886 6.80329   15.58411 1.000 26.47649 ? 56  LEU A CD2 1 
ATOM   445  N N   . ARG A 1 57  ? 15.93824 6.46732   11.38994 1.000 23.69210 ? 57  ARG A N   1 
ATOM   446  C CA  . ARG A 1 57  ? 15.06957 6.73814   10.23974 1.000 27.16169 ? 57  ARG A CA  1 
ATOM   447  C C   . ARG A 1 57  ? 15.24461 5.71374   9.10995  1.000 26.85204 ? 57  ARG A C   1 
ATOM   448  O O   . ARG A 1 57  ? 14.25447 5.21314   8.57161  1.000 24.24868 ? 57  ARG A O   1 
ATOM   449  C CB  . ARG A 1 57  ? 15.30497 8.15901   9.67046  1.000 26.97596 ? 57  ARG A CB  1 
ATOM   450  C CG  . ARG A 1 57  ? 14.24263 8.58411   8.64564  1.000 29.12944 ? 57  ARG A CG  1 
ATOM   451  C CD  . ARG A 1 57  ? 14.70538 9.75414   7.66626  1.000 33.20802 ? 57  ARG A CD  1 
ATOM   452  N NE  . ARG A 1 57  ? 15.77858 9.33664   6.75995  1.000 33.78448 ? 57  ARG A NE  1 
ATOM   453  C CZ  . ARG A 1 57  ? 15.65571 8.47247   5.76170  1.000 35.58706 ? 57  ARG A CZ  1 
ATOM   454  N NH1 . ARG A 1 57  ? 14.46733 8.04466   5.35460  1.000 33.43770 ? 57  ARG A NH1 1 
ATOM   455  N NH2 . ARG A 1 57  ? 16.75307 8.07992   5.10346  1.000 38.14939 ? 57  ARG A NH2 1 
ATOM   456  N N   . ARG A 1 58  ? 16.49188 5.48824   8.64697  1.000 27.09067 ? 58  ARG A N   1 
ATOM   457  C CA  . ARG A 1 58  ? 16.73265 4.52157   7.56430  1.000 26.95019 ? 58  ARG A CA  1 
ATOM   458  C C   . ARG A 1 58  ? 16.16106 3.14033   7.89670  1.000 26.32837 ? 58  ARG A C   1 
ATOM   459  O O   . ARG A 1 58  ? 15.51325 2.50112   7.05185  1.000 26.59157 ? 58  ARG A O   1 
ATOM   460  C CB  . ARG A 1 58  ? 18.24182 4.39550   7.27934  1.000 28.55119 ? 58  ARG A CB  1 
ATOM   461  C CG  . ARG A 1 58  ? 18.83982 5.66279   6.65674  1.000 34.47367 ? 58  ARG A CG  1 
ATOM   462  C CD  . ARG A 1 58  ? 20.36039 5.55672   6.42124  1.000 40.79772 ? 58  ARG A CD  1 
ATOM   463  N NE  . ARG A 1 58  ? 20.92593 6.84069   5.99177  1.000 40.90135 ? 58  ARG A NE  1 
ATOM   464  C CZ  . ARG A 1 58  ? 22.22304 7.07005   5.80815  1.000 45.04628 ? 58  ARG A CZ  1 
ATOM   465  N NH1 . ARG A 1 58  ? 23.14166 6.16693   6.11736  1.000 44.40171 ? 58  ARG A NH1 1 
ATOM   466  N NH2 . ARG A 1 58  ? 22.61081 8.24166   5.31716  1.000 47.11332 ? 58  ARG A NH2 1 
ATOM   467  N N   . TRP A 1 59  ? 16.38600 2.67255   9.11370  1.000 25.09317 ? 59  TRP A N   1 
ATOM   468  C CA  . TRP A 1 59  ? 16.00783 1.31076   9.47640  1.000 26.16892 ? 59  TRP A CA  1 
ATOM   469  C C   . TRP A 1 59  ? 14.49375 1.15749   9.57283  1.000 25.52596 ? 59  TRP A C   1 
ATOM   470  O O   . TRP A 1 59  ? 13.91864 0.16334   9.09283  1.000 22.75036 ? 59  TRP A O   1 
ATOM   471  C CB  . TRP A 1 59  ? 16.69451 0.93002   10.80531 1.000 26.43970 ? 59  TRP A CB  1 
ATOM   472  C CG  . TRP A 1 59  ? 16.43856 -0.49438  11.21162 1.000 26.09439 ? 59  TRP A CG  1 
ATOM   473  C CD1 . TRP A 1 59  ? 17.18645 -1.59965  10.86960 1.000 29.12909 ? 59  TRP A CD1 1 
ATOM   474  C CD2 . TRP A 1 59  ? 15.34633 -0.97370  12.02095 1.000 26.45921 ? 59  TRP A CD2 1 
ATOM   475  N NE1 . TRP A 1 59  ? 16.61106 -2.75102  11.41972 1.000 29.49822 ? 59  TRP A NE1 1 
ATOM   476  C CE2 . TRP A 1 59  ? 15.48920 -2.38795  12.13242 1.000 28.91645 ? 59  TRP A CE2 1 
ATOM   477  C CE3 . TRP A 1 59  ? 14.26580 -0.34917  12.65568 1.000 24.71045 ? 59  TRP A CE3 1 
ATOM   478  C CZ2 . TRP A 1 59  ? 14.59677 -3.18071  12.87622 1.000 29.09857 ? 59  TRP A CZ2 1 
ATOM   479  C CZ3 . TRP A 1 59  ? 13.37031 -1.13563  13.39608 1.000 24.72601 ? 59  TRP A CZ3 1 
ATOM   480  C CH2 . TRP A 1 59  ? 13.53818 -2.54660  13.49467 1.000 27.65396 ? 59  TRP A CH2 1 
ATOM   481  N N   . LEU A 1 60  ? 13.82750 2.12305   10.20439 1.000 22.78424 ? 60  LEU A N   1 
ATOM   482  C CA  . LEU A 1 60  ? 12.38288 2.01184   10.43500 1.000 22.37409 ? 60  LEU A CA  1 
ATOM   483  C C   . LEU A 1 60  ? 11.60647 2.24695   9.15132  1.000 23.87130 ? 60  LEU A C   1 
ATOM   484  O O   . LEU A 1 60  ? 10.59442 1.57234   8.89485  1.000 22.26521 ? 60  LEU A O   1 
ATOM   485  C CB  . LEU A 1 60  ? 11.95430 3.00960   11.54161 1.000 23.60291 ? 60  LEU A CB  1 
ATOM   486  C CG  . LEU A 1 60  ? 10.49041 2.92864   11.97478 1.000 24.40598 ? 60  LEU A CG  1 
ATOM   487  C CD1 . LEU A 1 60  ? 10.19668 1.52936   12.50849 1.000 21.36705 ? 60  LEU A CD1 1 
ATOM   488  C CD2 . LEU A 1 60  ? 10.13610 4.02445   13.01259 1.000 26.57852 ? 60  LEU A CD2 1 
ATOM   489  N N   . THR A 1 61  ? 12.08161 3.16541   8.29176  1.000 21.58696 ? 61  THR A N   1 
ATOM   490  C CA  . THR A 1 61  ? 11.44932 3.28586   6.97776  1.000 24.58568 ? 61  THR A CA  1 
ATOM   491  C C   . THR A 1 61  ? 11.61277 2.02219   6.16434  1.000 24.88275 ? 61  THR A C   1 
ATOM   492  O O   . THR A 1 61  ? 10.66766 1.58891   5.50870  1.000 23.00756 ? 61  THR A O   1 
ATOM   493  C CB  . THR A 1 61  ? 11.98644 4.47224   6.19818  1.000 27.71711 ? 61  THR A CB  1 
ATOM   494  O OG1 . THR A 1 61  ? 11.91530 5.61459   7.05012  1.000 25.48358 ? 61  THR A OG1 1 
ATOM   495  C CG2 . THR A 1 61  ? 11.24607 4.62437   4.84756  1.000 30.53683 ? 61  THR A CG2 1 
ATOM   496  N N   . LYS A 1 62  ? 12.79393 1.40269   6.21533  1.000 23.08357 ? 62  LYS A N   1 
ATOM   497  C CA  . LYS A 1 62  ? 12.95038 0.10791   5.55531  1.000 26.59688 ? 62  LYS A CA  1 
ATOM   498  C C   . LYS A 1 62  ? 12.00692 -0.95372  6.14670  1.000 25.44131 ? 62  LYS A C   1 
ATOM   499  O O   . LYS A 1 62  ? 11.43477 -1.76478  5.41222  1.000 25.51063 ? 62  LYS A O   1 
ATOM   500  C CB  . LYS A 1 62  ? 14.41723 -0.33234  5.67859  1.000 27.03618 ? 62  LYS A CB  1 
ATOM   501  C CG  . LYS A 1 62  ? 14.78372 -1.55421  4.80096  1.000 31.32049 ? 62  LYS A CG  1 
ATOM   502  C CD  . LYS A 1 62  ? 16.27798 -1.87755  4.91627  1.000 33.97047 ? 62  LYS A CD  1 
ATOM   503  C CE  . LYS A 1 62  ? 16.53358 -3.33897  4.52760  1.000 41.20313 ? 62  LYS A CE  1 
ATOM   504  N NZ  . LYS A 1 62  ? 17.55399 -3.93540  5.46649  1.000 50.30626 ? 62  LYS A NZ  1 
ATOM   505  N N   . ALA A 1 63  ? 11.90919 -1.02651  7.47765  1.000 25.82442 ? 63  ALA A N   1 
ATOM   506  C CA  . ALA A 1 63  ? 11.03806 -2.00806  8.10677  1.000 24.87752 ? 63  ALA A CA  1 
ATOM   507  C C   . ALA A 1 63  ? 9.59563  -1.78634  7.67650  1.000 25.15609 ? 63  ALA A C   1 
ATOM   508  O O   . ALA A 1 63  ? 8.85882  -2.73745  7.37989  1.000 25.74559 ? 63  ALA A O   1 
ATOM   509  C CB  . ALA A 1 63  ? 11.19109 -1.92735  9.61875  1.000 25.17603 ? 63  ALA A CB  1 
ATOM   510  N N   . ILE A 1 64  ? 9.19035  -0.52597  7.58873  1.000 23.45530 ? 64  ILE A N   1 
ATOM   511  C CA  . ILE A 1 64  ? 7.80429  -0.21359  7.22828  1.000 25.59590 ? 64  ILE A CA  1 
ATOM   512  C C   . ILE A 1 64  ? 7.53921  -0.54542  5.77579  1.000 24.76528 ? 64  ILE A C   1 
ATOM   513  O O   . ILE A 1 64  ? 6.47435  -1.10002  5.42755  1.000 24.14756 ? 64  ILE A O   1 
ATOM   514  C CB  . ILE A 1 64  ? 7.49221  1.26297   7.53204  1.000 22.95877 ? 64  ILE A CB  1 
ATOM   515  C CG1 . ILE A 1 64  ? 7.42642  1.44245   9.04760  1.000 23.80339 ? 64  ILE A CG1 1 
ATOM   516  C CG2 . ILE A 1 64  ? 6.14520  1.69073   6.80908  1.000 22.07759 ? 64  ILE A CG2 1 
ATOM   517  C CD1 . ILE A 1 64  ? 7.47344  2.96056   9.50604  1.000 22.30778 ? 64  ILE A CD1 1 
ATOM   518  N N   . ARG A 1 65  ? 8.50491  -0.23740  4.90391  1.000 23.60998 ? 65  ARG A N   1 
ATOM   519  C CA  . ARG A 1 65  ? 8.37803  -0.61552  3.49475  1.000 27.83858 ? 65  ARG A CA  1 
ATOM   520  C C   . ARG A 1 65  ? 8.21575  -2.10804  3.37066  1.000 28.59599 ? 65  ARG A C   1 
ATOM   521  O O   . ARG A 1 65  ? 7.33144  -2.57971  2.63926  1.000 29.62230 ? 65  ARG A O   1 
ATOM   522  C CB  . ARG A 1 65  ? 9.59448  -0.12997  2.69301  1.000 26.95421 ? 65  ARG A CB  1 
ATOM   523  C CG  . ARG A 1 65  ? 9.61446  -0.51133  1.24112  1.000 32.84786 ? 65  ARG A CG  1 
ATOM   524  C CD  . ARG A 1 65  ? 10.97700 -0.07722  0.58310  1.000 32.68899 ? 65  ARG A CD  1 
ATOM   525  N NE  . ARG A 1 65  ? 11.37999 1.26859   0.98630  1.000 34.34695 ? 65  ARG A NE  1 
ATOM   526  C CZ  . ARG A 1 65  ? 12.48947 1.59361   1.64559  1.000 32.73450 ? 65  ARG A CZ  1 
ATOM   527  N NH1 . ARG A 1 65  ? 13.42268 0.69511   1.94225  1.000 34.31464 ? 65  ARG A NH1 1 
ATOM   528  N NH2 . ARG A 1 65  ? 12.69201 2.86078   1.96801  1.000 34.85893 ? 65  ARG A NH2 1 
ATOM   529  N N   . GLU A 1 66  ? 9.04863  -2.87305  4.09874  1.000 26.00986 ? 66  GLU A N   1 
ATOM   530  C CA  . GLU A 1 66  ? 8.94020  -4.33619  4.05935  1.000 30.94716 ? 66  GLU A CA  1 
ATOM   531  C C   . GLU A 1 66  ? 7.57782  -4.80023  4.52801  1.000 30.58163 ? 66  GLU A C   1 
ATOM   532  O O   . GLU A 1 66  ? 7.01573  -5.75321  3.97364  1.000 30.45453 ? 66  GLU A O   1 
ATOM   533  C CB  . GLU A 1 66  ? 10.01251 -4.99855  4.91856  1.000 32.83421 ? 66  GLU A CB  1 
ATOM   534  C CG  . GLU A 1 66  ? 11.42427 -4.95913  4.34528  1.000 36.56855 ? 66  GLU A CG  1 
ATOM   535  C CD  . GLU A 1 66  ? 12.47478 -5.36417  5.37940  1.000 51.71113 ? 66  GLU A CD  1 
ATOM   536  O OE1 . GLU A 1 66  ? 12.09448 -5.93340  6.43836  1.000 52.96238 ? 66  GLU A OE1 1 
ATOM   537  O OE2 . GLU A 1 66  ? 13.68100 -5.11962  5.13510  1.000 49.60829 ? 66  GLU A OE2 1 
ATOM   538  N N   . ALA A 1 67  ? 7.02475  -4.12303  5.54219  1.000 26.86142 ? 67  ALA A N   1 
ATOM   539  C CA  . ALA A 1 67  ? 5.75161  -4.52636  6.09905  1.000 28.56621 ? 67  ALA A CA  1 
ATOM   540  C C   . ALA A 1 67  ? 4.62384  -4.35123  5.08496  1.000 28.07362 ? 67  ALA A C   1 
ATOM   541  O O   . ALA A 1 67  ? 3.60763  -5.04493  5.16054  1.000 23.61899 ? 67  ALA A O   1 
ATOM   542  C CB  . ALA A 1 67  ? 5.48577  -3.73643  7.38996  1.000 23.42931 ? 67  ALA A CB  1 
ATOM   543  N N   . THR A 1 68  ? 4.74776  -3.40977  4.14343  1.000 29.06191 ? 68  THR A N   1 
ATOM   544  C CA  . THR A 1 68  ? 3.66083  -3.25221  3.18663  1.000 31.65528 ? 68  THR A CA  1 
ATOM   545  C C   . THR A 1 68  ? 3.43259  -4.50443  2.33323  1.000 36.86113 ? 68  THR A C   1 
ATOM   546  O O   . THR A 1 68  ? 2.36788  -4.62657  1.72039  1.000 39.39406 ? 68  THR A O   1 
ATOM   547  C CB  . THR A 1 68  ? 3.92258  -2.06703  2.26788  1.000 33.20914 ? 68  THR A CB  1 
ATOM   548  O OG1 . THR A 1 68  ? 5.08019  -2.36581  1.46646  1.000 33.45882 ? 68  THR A OG1 1 
ATOM   549  C CG2 . THR A 1 68  ? 4.14216  -0.81107  3.10900  1.000 26.13068 ? 68  THR A CG2 1 
ATOM   550  N N   . GLN A 1 69  ? 4.38477  -5.44019  2.29229  1.000 35.81297 ? 69  GLN A N   1 
ATOM   551  C CA  . GLN A 1 69  ? 4.15144  -6.72349  1.62741  1.000 38.57087 ? 69  GLN A CA  1 
ATOM   552  C C   . GLN A 1 69  ? 3.13330  -7.60133  2.34346  1.000 37.77617 ? 69  GLN A C   1 
ATOM   553  O O   . GLN A 1 69  ? 2.61693  -8.52061  1.71664  1.000 40.07727 ? 69  GLN A O   1 
ATOM   554  C CB  . GLN A 1 69  ? 5.45325  -7.51420  1.47321  1.000 39.59181 ? 69  GLN A CB  1 
ATOM   555  C CG  . GLN A 1 69  ? 6.39176  -7.11801  0.30431  1.000 46.32714 ? 69  GLN A CG  1 
ATOM   556  C CD  . GLN A 1 69  ? 6.41171  -5.62792  -0.02448 1.000 56.44924 ? 69  GLN A CD  1 
ATOM   557  O OE1 . GLN A 1 69  ? 5.94150  -5.19684  -1.09804 1.000 51.84646 ? 69  GLN A OE1 1 
ATOM   558  N NE2 . GLN A 1 69  ? 6.93299  -4.82661  0.90253  1.000 52.40448 ? 69  GLN A NE2 1 
ATOM   559  N N   . ALA A 1 70  ? 2.80297  -7.32829  3.61181  1.000 34.23916 ? 70  ALA A N   1 
ATOM   560  C CA  . ALA A 1 70  ? 1.83549  -8.14033  4.35365  1.000 33.08054 ? 70  ALA A CA  1 
ATOM   561  C C   . ALA A 1 70  ? 0.47208  -8.19583  3.64092  1.000 34.78457 ? 70  ALA A C   1 
ATOM   562  O O   . ALA A 1 70  ? 0.05456  -7.24199  2.97659  1.000 34.48903 ? 70  ALA A O   1 
ATOM   563  C CB  . ALA A 1 70  ? 1.66730  -7.58324  5.77834  1.000 28.86079 ? 70  ALA A CB  1 
ATOM   564  N N   . PRO A 1 71  ? -0.26517 -9.30254  3.77973  1.000 34.22061 ? 71  PRO A N   1 
ATOM   565  C CA  . PRO A 1 71  ? -1.52390 -9.43572  3.03036  1.000 34.23356 ? 71  PRO A CA  1 
ATOM   566  C C   . PRO A 1 71  ? -2.69285 -8.69800  3.61895  1.000 31.51801 ? 71  PRO A C   1 
ATOM   567  O O   . PRO A 1 71  ? -3.70699 -8.56131  2.91895  1.000 30.20103 ? 71  PRO A O   1 
ATOM   568  C CB  . PRO A 1 71  ? -1.80324 -10.95327 3.06847  1.000 33.57710 ? 71  PRO A CB  1 
ATOM   569  C CG  . PRO A 1 71  ? -1.17465 -11.39353 4.36075  1.000 33.71653 ? 71  PRO A CG  1 
ATOM   570  C CD  . PRO A 1 71  ? 0.09026  -10.55384 4.47450  1.000 33.93044 ? 71  PRO A CD  1 
ATOM   571  N N   . THR A 1 72  ? -2.63431 -8.28711  4.88010  1.000 29.35718 ? 72  THR A N   1 
ATOM   572  C CA  . THR A 1 72  ? -3.76238 -7.65082  5.56320  1.000 30.12262 ? 72  THR A CA  1 
ATOM   573  C C   . THR A 1 72  ? -3.25651 -6.49894  6.41180  1.000 29.79512 ? 72  THR A C   1 
ATOM   574  O O   . THR A 1 72  ? -2.05657 -6.43396  6.71562  1.000 27.01001 ? 72  THR A O   1 
ATOM   575  C CB  . THR A 1 72  ? -4.50193 -8.60061  6.53750  1.000 31.62092 ? 72  THR A CB  1 
ATOM   576  O OG1 . THR A 1 72  ? -3.60625 -8.96143  7.58342  1.000 30.68019 ? 72  THR A OG1 1 
ATOM   577  C CG2 . THR A 1 72  ? -4.95110 -9.90562  5.84384  1.000 32.66103 ? 72  THR A CG2 1 
ATOM   578  N N   . GLN A 1 73  ? -4.20442 -5.62053  6.81939  1.000 26.18821 ? 73  GLN A N   1 
ATOM   579  C CA  . GLN A 1 73  ? -3.91456 -4.55326  7.78058  1.000 28.74743 ? 73  GLN A CA  1 
ATOM   580  C C   . GLN A 1 73  ? -3.37401 -5.14234  9.05880  1.000 28.07172 ? 73  GLN A C   1 
ATOM   581  O O   . GLN A 1 73  ? -2.46298 -4.57492  9.67513  1.000 23.13183 ? 73  GLN A O   1 
ATOM   582  C CB  . GLN A 1 73  ? -5.15774 -3.72534  8.14381  1.000 27.86653 ? 73  GLN A CB  1 
ATOM   583  C CG  . GLN A 1 73  ? -4.87428 -2.43019  8.99317  1.000 27.64830 ? 73  GLN A CG  1 
ATOM   584  C CD  . GLN A 1 73  ? -3.94689 -1.47383  8.20934  1.000 29.07566 ? 73  GLN A CD  1 
ATOM   585  O OE1 . GLN A 1 73  ? -4.22640 -1.11255  7.05355  1.000 26.16853 ? 73  GLN A OE1 1 
ATOM   586  N NE2 . GLN A 1 73  ? -2.84261 -1.07583  8.83309  1.000 26.08657 ? 73  GLN A NE2 1 
ATOM   587  N N   . GLU A 1 74  ? -3.92548 -6.29110  9.47330  1.000 26.88945 ? 74  GLU A N   1 
ATOM   588  C CA  . GLU A 1 74  ? -3.58295 -6.81932  10.78865 1.000 30.02697 ? 74  GLU A CA  1 
ATOM   589  C C   . GLU A 1 74  ? -2.12889 -7.25495  10.83732 1.000 27.97093 ? 74  GLU A C   1 
ATOM   590  O O   . GLU A 1 74  ? -1.42992 -7.02099  11.83581 1.000 24.65135 ? 74  GLU A O   1 
ATOM   591  C CB  . GLU A 1 74  ? -4.51158 -7.99874  11.13140 1.000 35.36238 ? 74  GLU A CB  1 
ATOM   592  C CG  . GLU A 1 74  ? -4.17141 -8.68240  12.43984 1.000 37.12697 ? 74  GLU A CG  1 
ATOM   593  C CD  . GLU A 1 74  ? -4.61684 -10.14414 12.52286 1.000 47.81836 ? 74  GLU A CD  1 
ATOM   594  O OE1 . GLU A 1 74  ? -5.11004 -10.54181 13.59780 1.000 54.05317 ? 74  GLU A OE1 1 
ATOM   595  O OE2 . GLU A 1 74  ? -4.41418 -10.90700 11.54476 1.000 52.36776 ? 74  GLU A OE2 1 
ATOM   596  N N   . GLU A 1 75  ? -1.68719 -7.97740  9.80439  1.000 26.49710 ? 75  GLU A N   1 
ATOM   597  C CA  . GLU A 1 75  ? -0.29674 -8.39644  9.68419  1.000 27.55798 ? 75  GLU A CA  1 
ATOM   598  C C   . GLU A 1 75  ? 0.61491  -7.19108  9.48035  1.000 27.15266 ? 75  GLU A C   1 
ATOM   599  O O   . GLU A 1 75  ? 1.74023  -7.13737  9.99791  1.000 21.58025 ? 75  GLU A O   1 
ATOM   600  C CB  . GLU A 1 75  ? -0.15411 -9.39418  8.52610  1.000 28.43279 ? 75  GLU A CB  1 
ATOM   601  C CG  . GLU A 1 75  ? -0.78370 -10.71834 8.87569  1.000 33.41648 ? 75  GLU A CG  1 
ATOM   602  C CD  . GLU A 1 75  ? -0.59592 -11.80386 7.84564  1.000 34.63611 ? 75  GLU A CD  1 
ATOM   603  O OE1 . GLU A 1 75  ? 0.49780  -11.91538 7.26269  1.000 34.09590 ? 75  GLU A OE1 1 
ATOM   604  O OE2 . GLU A 1 75  ? -1.57288 -12.56275 7.63162  1.000 37.34768 ? 75  GLU A OE2 1 
ATOM   605  N N   . PHE A 1 76  ? 0.13148  -6.19350  8.76220  1.000 24.75566 ? 76  PHE A N   1 
ATOM   606  C CA  . PHE A 1 76  ? 0.93957  -4.98456  8.65040  1.000 23.91796 ? 76  PHE A CA  1 
ATOM   607  C C   . PHE A 1 76  ? 1.13371  -4.36007  10.01880 1.000 24.25778 ? 76  PHE A C   1 
ATOM   608  O O   . PHE A 1 76  ? 2.27068  -4.03951  10.41874 1.000 20.73539 ? 76  PHE A O   1 
ATOM   609  C CB  . PHE A 1 76  ? 0.27120  -4.02828  7.65629  1.000 23.67206 ? 76  PHE A CB  1 
ATOM   610  C CG  . PHE A 1 76  ? 0.95547  -2.67009  7.56773  1.000 24.72969 ? 76  PHE A CG  1 
ATOM   611  C CD1 . PHE A 1 76  ? 2.00834  -2.48520  6.68708  1.000 22.43173 ? 76  PHE A CD1 1 
ATOM   612  C CD2 . PHE A 1 76  ? 0.59104  -1.64919  8.42761  1.000 20.52968 ? 76  PHE A CD2 1 
ATOM   613  C CE1 . PHE A 1 76  ? 2.67527  -1.22340  6.60269  1.000 25.05716 ? 76  PHE A CE1 1 
ATOM   614  C CE2 . PHE A 1 76  ? 1.24128  -0.40279  8.35235  1.000 22.29705 ? 76  PHE A CE2 1 
ATOM   615  C CZ  . PHE A 1 76  ? 2.26761  -0.20510  7.44012  1.000 20.22054 ? 76  PHE A CZ  1 
ATOM   616  N N   . ASN A 1 77  ? 0.02833  -4.19988  10.76476 1.000 21.84910 ? 77  ASN A N   1 
ATOM   617  C CA  . ASN A 1 77  ? 0.09536  -3.59758  12.08418 1.000 26.14120 ? 77  ASN A CA  1 
ATOM   618  C C   . ASN A 1 77  ? 1.09385  -4.34445  12.92082 1.000 26.00437 ? 77  ASN A C   1 
ATOM   619  O O   . ASN A 1 77  ? 1.95704  -3.73500  13.55262 1.000 20.61187 ? 77  ASN A O   1 
ATOM   620  C CB  . ASN A 1 77  ? -1.26253 -3.61435  12.79302 1.000 24.80870 ? 77  ASN A CB  1 
ATOM   621  C CG  . ASN A 1 77  ? -2.23805 -2.59792  12.18219 1.000 30.35779 ? 77  ASN A CG  1 
ATOM   622  O OD1 . ASN A 1 77  ? -1.87011 -1.82041  11.28492 1.000 24.94649 ? 77  ASN A OD1 1 
ATOM   623  N ND2 . ASN A 1 77  ? -3.46830 -2.60745  12.65532 1.000 32.45459 ? 77  ASN A ND2 1 
ATOM   624  N N   . GLN A 1 78  ? 1.01153  -5.68453  12.90867 1.000 24.81510 ? 78  GLN A N   1 
ATOM   625  C CA  . GLN A 1 78  ? 1.91185  -6.45020  13.77766 1.000 26.45710 ? 78  GLN A CA  1 
ATOM   626  C C   . GLN A 1 78  ? 3.36827  -6.28419  13.38447 1.000 24.99582 ? 78  GLN A C   1 
ATOM   627  O O   . GLN A 1 78  ? 4.22252  -6.12768  14.26251 1.000 27.92810 ? 78  GLN A O   1 
ATOM   628  C CB  . GLN A 1 78  ? 1.51079  -7.93101  13.76813 1.000 28.99030 ? 78  GLN A CB  1 
ATOM   629  C CG  . GLN A 1 78  ? 2.24021  -8.69991  14.80427 1.000 33.49666 ? 78  GLN A CG  1 
ATOM   630  C CD  . GLN A 1 78  ? 1.91393  -8.25076  16.23284 1.000 41.38463 ? 78  GLN A CD  1 
ATOM   631  O OE1 . GLN A 1 78  ? 0.74507  -8.10069  16.60890 1.000 39.47459 ? 78  GLN A OE1 1 
ATOM   632  N NE2 . GLN A 1 78  ? 2.95134  -8.09319  17.04726 1.000 39.42730 ? 78  GLN A NE2 1 
ATOM   633  N N   . ALA A 1 79  ? 3.69314  -6.34371  12.07952 1.000 25.52777 ? 79  ALA A N   1 
ATOM   634  C CA  . ALA A 1 79  ? 5.06113  -6.07798  11.61141 1.000 24.60550 ? 79  ALA A CA  1 
ATOM   635  C C   . ALA A 1 79  ? 5.58344  -4.70186  12.06328 1.000 24.74507 ? 79  ALA A C   1 
ATOM   636  O O   . ALA A 1 79  ? 6.67493  -4.59267  12.65098 1.000 20.07139 ? 79  ALA A O   1 
ATOM   637  C CB  . ALA A 1 79  ? 5.12388  -6.20423  10.08702 1.000 24.80214 ? 79  ALA A CB  1 
ATOM   638  N N   . VAL A 1 80  ? 4.80123  -3.64427  11.85411 1.000 18.98157 ? 80  VAL A N   1 
ATOM   639  C CA  . VAL A 1 80  ? 5.28904  -2.30847  12.23021 1.000 22.71884 ? 80  VAL A CA  1 
ATOM   640  C C   . VAL A 1 80  ? 5.38913  -2.16391  13.74993 1.000 22.39848 ? 80  VAL A C   1 
ATOM   641  O O   . VAL A 1 80  ? 6.35378  -1.58028  14.27803 1.000 20.52921 ? 80  VAL A O   1 
ATOM   642  C CB  . VAL A 1 80  ? 4.39092  -1.20787  11.61974 1.000 21.56208 ? 80  VAL A CB  1 
ATOM   643  C CG1 . VAL A 1 80  ? 4.94394  0.14784   11.98859 1.000 20.92706 ? 80  VAL A CG1 1 
ATOM   644  C CG2 . VAL A 1 80  ? 4.32699  -1.37060  10.09164 1.000 20.56710 ? 80  VAL A CG2 1 
ATOM   645  N N   . ALA A 1 81  ? 4.39599  -2.66786  14.48823 1.000 20.98136 ? 81  ALA A N   1 
ATOM   646  C CA  . ALA A 1 81  ? 4.48761  -2.63302  15.95131 1.000 23.93880 ? 81  ALA A CA  1 
ATOM   647  C C   . ALA A 1 81  ? 5.76773  -3.31320  16.43149 1.000 24.24794 ? 81  ALA A C   1 
ATOM   648  O O   . ALA A 1 81  ? 6.48738  -2.76932  17.27087 1.000 22.18397 ? 81  ALA A O   1 
ATOM   649  C CB  . ALA A 1 81  ? 3.25231  -3.28224  16.59971 1.000 24.28305 ? 81  ALA A CB  1 
ATOM   650  N N   . GLU A 1 82  ? 6.10365  -4.48143  15.87163 1.000 24.22862 ? 82  GLU A N   1 
ATOM   651  C CA  . GLU A 1 82  ? 7.36980  -5.13134  16.22016 1.000 26.34220 ? 82  GLU A CA  1 
ATOM   652  C C   . GLU A 1 82  ? 8.57433  -4.26527  15.87014 1.000 25.58576 ? 82  GLU A C   1 
ATOM   653  O O   . GLU A 1 82  ? 9.50115  -4.12631  16.66923 1.000 27.02453 ? 82  GLU A O   1 
ATOM   654  C CB  . GLU A 1 82  ? 7.48532  -6.49835  15.52409 1.000 28.22827 ? 82  GLU A CB  1 
ATOM   655  C CG  . GLU A 1 82  ? 6.55436  -7.49858  16.15305 1.000 33.05532 ? 82  GLU A CG  1 
ATOM   656  C CD  . GLU A 1 82  ? 6.33295  -8.75642  15.30365 1.000 32.73336 ? 82  GLU A CD  1 
ATOM   657  O OE1 . GLU A 1 82  ? 6.91175  -8.88920  14.21698 1.000 31.77602 ? 82  GLU A OE1 1 
ATOM   658  O OE2 . GLU A 1 82  ? 5.52097  -9.59487  15.73559 1.000 35.13726 ? 82  GLU A OE2 1 
ATOM   659  N N   . ALA A 1 83  ? 8.59466  -3.67625  14.68797 1.000 24.42024 ? 83  ALA A N   1 
ATOM   660  C CA  . ALA A 1 83  ? 9.72964  -2.83548  14.30955 1.000 24.02161 ? 83  ALA A CA  1 
ATOM   661  C C   . ALA A 1 83  ? 9.86241  -1.64452  15.25036 1.000 22.53017 ? 83  ALA A C   1 
ATOM   662  O O   . ALA A 1 83  ? 10.97309 -1.29913  15.68349 1.000 21.44456 ? 83  ALA A O   1 
ATOM   663  C CB  . ALA A 1 83  ? 9.57819  -2.36947  12.86791 1.000 23.16984 ? 83  ALA A CB  1 
ATOM   664  N N   . ILE A 1 84  ? 8.74188  -1.04656  15.62131 1.000 20.24947 ? 84  ILE A N   1 
ATOM   665  C CA  . ILE A 1 84  ? 8.77972  0.07079   16.56650 1.000 22.91593 ? 84  ILE A CA  1 
ATOM   666  C C   . ILE A 1 84  ? 9.29723  -0.38910  17.91135 1.000 23.69981 ? 84  ILE A C   1 
ATOM   667  O O   . ILE A 1 84  ? 10.08222 0.31405   18.55815 1.000 17.47171 ? 84  ILE A O   1 
ATOM   668  C CB  . ILE A 1 84  ? 7.39537  0.74961   16.67233 1.000 24.20984 ? 84  ILE A CB  1 
ATOM   669  C CG1 . ILE A 1 84  ? 7.13718  1.52383   15.36297 1.000 18.02631 ? 84  ILE A CG1 1 
ATOM   670  C CG2 . ILE A 1 84  ? 7.30084  1.62920   17.96489 1.000 20.47830 ? 84  ILE A CG2 1 
ATOM   671  C CD1 . ILE A 1 84  ? 5.64505  2.05486   15.24332 1.000 22.59863 ? 84  ILE A CD1 1 
ATOM   672  N N   . GLU A 1 85  ? 8.90045  -1.58154  18.35320 1.000 24.42424 ? 85  GLU A N   1 
ATOM   673  C CA  . GLU A 1 85  ? 9.36206  -2.06069  19.65082 1.000 27.12047 ? 85  GLU A CA  1 
ATOM   674  C C   . GLU A 1 85  ? 10.86995 -2.28624  19.66214 1.000 29.14395 ? 85  GLU A C   1 
ATOM   675  O O   . GLU A 1 85  ? 11.54747 -1.97665  20.65207 1.000 27.91775 ? 85  GLU A O   1 
ATOM   676  C CB  . GLU A 1 85  ? 8.62415  -3.35482  20.04193 1.000 33.74456 ? 85  GLU A CB  1 
ATOM   677  C CG  . GLU A 1 85  ? 8.70440  -3.70864  21.54138 1.000 46.74525 ? 85  GLU A CG  1 
ATOM   678  C CD  . GLU A 1 85  ? 8.58448  -2.49231  22.50837 1.000 65.54964 ? 85  GLU A CD  1 
ATOM   679  O OE1 . GLU A 1 85  ? 7.51870  -1.82706  22.55535 1.000 58.15256 ? 85  GLU A OE1 1 
ATOM   680  O OE2 . GLU A 1 85  ? 9.57051  -2.21693  23.24922 1.000 56.66106 ? 85  GLU A OE2 1 
ATOM   681  N N   . LYS A 1 86  ? 11.40808 -2.87179  18.60157 1.000 26.44328 ? 86  LYS A N   1 
ATOM   682  C CA  . LYS A 1 86  ? 12.85347 -3.06320  18.51294 1.000 25.71963 ? 86  LYS A CA  1 
ATOM   683  C C   . LYS A 1 86  ? 13.59471 -1.74563  18.36527 1.000 26.94201 ? 86  LYS A C   1 
ATOM   684  O O   . LYS A 1 86  ? 14.71155 -1.59050  18.87697 1.000 26.75005 ? 86  LYS A O   1 
ATOM   685  C CB  . LYS A 1 86  ? 13.20227 -4.01909  17.35413 1.000 28.56079 ? 86  LYS A CB  1 
ATOM   686  C CG  . LYS A 1 86  ? 12.23444 -5.23787  17.13213 1.000 33.48229 ? 86  LYS A CG  1 
ATOM   687  C CD  . LYS A 1 86  ? 11.30209 -5.61720  18.33368 1.000 49.64402 ? 86  LYS A CD  1 
ATOM   688  C CE  . LYS A 1 86  ? 10.23984 -6.67255  17.98683 1.000 40.79533 ? 86  LYS A CE  1 
ATOM   689  N NZ  . LYS A 1 86  ? 9.69645  -7.26158  19.22040 1.000 45.76387 ? 86  LYS A NZ  1 
ATOM   690  N N   . ALA A 1 87  ? 13.01719 -0.78246  17.66154 1.000 20.74200 ? 87  ALA A N   1 
ATOM   691  C CA  . ALA A 1 87  ? 13.66980 0.52492   17.57854 1.000 22.58827 ? 87  ALA A CA  1 
ATOM   692  C C   . ALA A 1 87  ? 13.68737 1.22598   18.92559 1.000 25.07123 ? 87  ALA A C   1 
ATOM   693  O O   . ALA A 1 87  ? 14.67411 1.89555   19.29516 1.000 24.73172 ? 87  ALA A O   1 
ATOM   694  C CB  . ALA A 1 87  ? 12.95272 1.36247   16.51948 1.000 22.00130 ? 87  ALA A CB  1 
ATOM   695  N N   . LEU A 1 88  ? 12.59390 1.11189   19.67357 1.000 24.09228 ? 88  LEU A N   1 
ATOM   696  C CA  . LEU A 1 88  ? 12.54094 1.70034   21.00003 1.000 21.29315 ? 88  LEU A CA  1 
ATOM   697  C C   . LEU A 1 88  ? 13.56154 1.04295   21.91857 1.000 26.45393 ? 88  LEU A C   1 
ATOM   698  O O   . LEU A 1 88  ? 14.26118 1.73137   22.66460 1.000 21.23207 ? 88  LEU A O   1 
ATOM   699  C CB  . LEU A 1 88  ? 11.13676 1.54129   21.58605 1.000 25.65321 ? 88  LEU A CB  1 
ATOM   700  C CG  . LEU A 1 88  ? 10.08085 2.52990   21.09444 1.000 24.68858 ? 88  LEU A CG  1 
ATOM   701  C CD1 . LEU A 1 88  ? 8.67977  2.00730   21.50536 1.000 26.20373 ? 88  LEU A CD1 1 
ATOM   702  C CD2 . LEU A 1 88  ? 10.32821 3.96026   21.67106 1.000 20.18304 ? 88  LEU A CD2 1 
ATOM   703  N N   . GLU A 1 89  ? 13.63093 -0.30036  21.90490 1.000 22.21629 ? 89  GLU A N   1 
ATOM   704  C CA  . GLU A 1 89  ? 14.60827 -0.97637  22.75854 1.000 28.81731 ? 89  GLU A CA  1 
ATOM   705  C C   . GLU A 1 89  ? 16.02872 -0.53868  22.42709 1.000 28.88743 ? 89  GLU A C   1 
ATOM   706  O O   . GLU A 1 89  ? 16.85659 -0.33732  23.32622 1.000 27.22080 ? 89  GLU A O   1 
ATOM   707  C CB  . GLU A 1 89  ? 14.44307 -2.50187  22.65145 1.000 34.75386 ? 89  GLU A CB  1 
ATOM   708  C CG  . GLU A 1 89  ? 13.29351 -2.99418  23.59150 1.000 55.38487 ? 89  GLU A CG  1 
ATOM   709  C CD  . GLU A 1 89  ? 13.09556 -4.53270  23.67169 1.000 73.02746 ? 89  GLU A CD  1 
ATOM   710  O OE1 . GLU A 1 89  ? 11.95020 -5.00674  23.45507 1.000 64.89572 ? 89  GLU A OE1 1 
ATOM   711  O OE2 . GLU A 1 89  ? 14.05764 -5.25904  24.01964 1.000 69.19259 ? 89  GLU A OE2 1 
ATOM   712  N N   . ARG A 1 90  ? 16.31613 -0.36164  21.14343 1.000 25.82416 ? 90  ARG A N   1 
ATOM   713  C CA  . ARG A 1 90  ? 17.64247 0.02907   20.68423 1.000 30.57694 ? 90  ARG A CA  1 
ATOM   714  C C   . ARG A 1 90  ? 17.97915 1.45825   21.11105 1.000 28.72084 ? 90  ARG A C   1 
ATOM   715  O O   . ARG A 1 90  ? 19.10542 1.74258   21.53317 1.000 26.59566 ? 90  ARG A O   1 
ATOM   716  C CB  . ARG A 1 90  ? 17.65848 -0.11315  19.17192 1.000 33.96276 ? 90  ARG A CB  1 
ATOM   717  C CG  . ARG A 1 90  ? 18.92330 0.28778   18.51063 1.000 39.85877 ? 90  ARG A CG  1 
ATOM   718  C CD  . ARG A 1 90  ? 19.90845 -0.82107  18.61143 1.000 47.52743 ? 90  ARG A CD  1 
ATOM   719  N NE  . ARG A 1 90  ? 20.93754 -0.50552  17.64988 1.000 57.07186 ? 90  ARG A NE  1 
ATOM   720  C CZ  . ARG A 1 90  ? 22.13367 -0.10915  18.03580 1.000 63.47444 ? 90  ARG A CZ  1 
ATOM   721  N NH1 . ARG A 1 90  ? 22.42660 -0.00833  19.32213 1.000 61.23797 ? 90  ARG A NH1 1 
ATOM   722  N NH2 . ARG A 1 90  ? 23.02617 0.26280   17.11872 1.000 68.47981 ? 90  ARG A NH2 1 
ATOM   723  N N   . ILE A 1 91  ? 17.01519 2.38238   21.01645 1.000 26.02261 ? 91  ILE A N   1 
ATOM   724  C CA  . ILE A 1 91  ? 17.27011 3.73939   21.49523 1.000 24.71404 ? 91  ILE A CA  1 
ATOM   725  C C   . ILE A 1 91  ? 17.55013 3.73296   22.97931 1.000 25.38174 ? 91  ILE A C   1 
ATOM   726  O O   . ILE A 1 91  ? 18.46071 4.44170   23.44585 1.000 23.64666 ? 91  ILE A O   1 
ATOM   727  C CB  . ILE A 1 91  ? 16.07492 4.66663   21.21588 1.000 25.32859 ? 91  ILE A CB  1 
ATOM   728  C CG1 . ILE A 1 91  ? 15.85771 4.79507   19.77922 1.000 24.82446 ? 91  ILE A CG1 1 
ATOM   729  C CG2 . ILE A 1 91  ? 16.29087 6.10651   21.85547 1.000 25.73393 ? 91  ILE A CG2 1 
ATOM   730  C CD1 . ILE A 1 91  ? 14.58591 5.43969   19.56657 1.000 27.79327 ? 91  ILE A CD1 1 
ATOM   731  N N   . GLU A 1 92  ? 16.77251 2.95243   23.75919 1.000 24.50838 ? 92  GLU A N   1 
ATOM   732  C CA  . GLU A 1 92  ? 17.06101 2.85976   25.19168 1.000 27.04136 ? 92  GLU A CA  1 
ATOM   733  C C   . GLU A 1 92  ? 18.48867 2.39264   25.42886 1.000 27.80233 ? 92  GLU A C   1 
ATOM   734  O O   . GLU A 1 92  ? 19.19142 2.93172   26.28331 1.000 25.28337 ? 92  GLU A O   1 
ATOM   735  C CB  . GLU A 1 92  ? 16.10818 1.89767   25.91642 1.000 27.33298 ? 92  GLU A CB  1 
ATOM   736  C CG  . GLU A 1 92  ? 14.67836 2.41949   26.14608 1.000 28.53343 ? 92  GLU A CG  1 
ATOM   737  C CD  . GLU A 1 92  ? 13.88689 1.44752   27.04474 1.000 35.27594 ? 92  GLU A CD  1 
ATOM   738  O OE1 . GLU A 1 92  ? 14.37588 0.30975   27.26439 1.000 35.65048 ? 92  GLU A OE1 1 
ATOM   739  O OE2 . GLU A 1 92  ? 12.81897 1.83150   27.56433 1.000 32.45670 ? 92  GLU A OE2 1 
ATOM   740  N N   . GLU A 1 93  ? 18.91464 1.33830   24.73191 1.000 28.47394 ? 93  GLU A N   1 
ATOM   741  C CA  . GLU A 1 93  ? 20.27472 0.83887   24.96080 1.000 29.83146 ? 93  GLU A CA  1 
ATOM   742  C C   . GLU A 1 93  ? 21.30692 1.90380   24.64095 1.000 29.21223 ? 93  GLU A C   1 
ATOM   743  O O   . GLU A 1 93  ? 22.26436 2.10954   25.39626 1.000 26.81798 ? 93  GLU A O   1 
ATOM   744  C CB  . GLU A 1 93  ? 20.56298 -0.39186  24.10261 1.000 33.22337 ? 93  GLU A CB  1 
ATOM   745  C CG  . GLU A 1 93  ? 19.52776 -1.44922  24.04375 1.000 36.82396 ? 93  GLU A CG  1 
ATOM   746  C CD  . GLU A 1 93  ? 20.02128 -2.65320  23.21782 1.000 50.04873 ? 93  GLU A CD  1 
ATOM   747  O OE1 . GLU A 1 93  ? 20.95357 -3.36377  23.64091 1.000 72.31718 ? 93  GLU A OE1 1 
ATOM   748  O OE2 . GLU A 1 93  ? 19.47826 -2.86667  22.11802 1.000 59.34429 ? 93  GLU A OE2 1 
ATOM   749  N N   . ILE A 1 94  ? 21.15706 2.55918   23.48237 1.000 25.89170 ? 94  ILE A N   1 
ATOM   750  C CA  . ILE A 1 94  ? 22.06124 3.64336   23.12780 1.000 28.79625 ? 94  ILE A CA  1 
ATOM   751  C C   . ILE A 1 94  ? 22.05490 4.71551   24.20521 1.000 27.37935 ? 94  ILE A C   1 
ATOM   752  O O   . ILE A 1 94  ? 23.10837 5.20037   24.63159 1.000 26.27380 ? 94  ILE A O   1 
ATOM   753  C CB  . ILE A 1 94  ? 21.67524 4.22635   21.75429 1.000 30.28914 ? 94  ILE A CB  1 
ATOM   754  C CG1 . ILE A 1 94  ? 21.88999 3.17690   20.66727 1.000 33.58685 ? 94  ILE A CG1 1 
ATOM   755  C CG2 . ILE A 1 94  ? 22.47616 5.50786   21.45005 1.000 30.69162 ? 94  ILE A CG2 1 
ATOM   756  C CD1 . ILE A 1 94  ? 21.19866 3.57251   19.38495 1.000 35.44983 ? 94  ILE A CD1 1 
ATOM   757  N N   . ALA A 1 95  ? 20.86689 5.14422   24.63608 1.000 22.09722 ? 95  ALA A N   1 
ATOM   758  C CA  . ALA A 1 95  ? 20.84696 6.22938   25.60119 1.000 27.05009 ? 95  ALA A CA  1 
ATOM   759  C C   . ALA A 1 95  ? 21.38896 5.78036   26.96705 1.000 26.44433 ? 95  ALA A C   1 
ATOM   760  O O   . ALA A 1 95  ? 22.01683 6.59136   27.66274 1.000 24.26837 ? 95  ALA A O   1 
ATOM   761  C CB  . ALA A 1 95  ? 19.42194 6.77501   25.73286 1.000 26.67815 ? 95  ALA A CB  1 
ATOM   762  N N   . ARG A 1 96  ? 21.15225 4.50538   27.37318 1.000 24.42062 ? 96  ARG A N   1 
ATOM   763  C CA  . ARG A 1 96  ? 21.75693 3.96527   28.61302 1.000 26.72087 ? 96  ARG A CA  1 
ATOM   764  C C   . ARG A 1 96  ? 23.27298 4.02997   28.56677 1.000 27.70086 ? 96  ARG A C   1 
ATOM   765  O O   . ARG A 1 96  ? 23.91387 4.33150   29.57346 1.000 28.55585 ? 96  ARG A O   1 
ATOM   766  C CB  . ARG A 1 96  ? 21.34406 2.48280   28.85807 1.000 28.89966 ? 96  ARG A CB  1 
ATOM   767  C CG  . ARG A 1 96  ? 20.16609 2.33706   29.73670 1.000 30.36720 ? 96  ARG A CG  1 
ATOM   768  C CD  . ARG A 1 96  ? 19.91335 0.91101   30.16758 1.000 30.67985 ? 96  ARG A CD  1 
ATOM   769  N NE  . ARG A 1 96  ? 19.73897 0.03347   29.01789 1.000 30.24663 ? 96  ARG A NE  1 
ATOM   770  C CZ  . ARG A 1 96  ? 18.55635 -0.27242  28.51987 1.000 30.51888 ? 96  ARG A CZ  1 
ATOM   771  N NH1 . ARG A 1 96  ? 17.44613 0.23416   29.03837 1.000 32.05566 ? 96  ARG A NH1 1 
ATOM   772  N NH2 . ARG A 1 96  ? 18.48319 -1.15811  27.53376 1.000 31.69428 ? 96  ARG A NH2 1 
ATOM   773  N N   . ARG A 1 97  ? 23.86886 3.67575   27.42339 1.000 27.82101 ? 97  ARG A N   1 
ATOM   774  C CA  . ARG A 1 97  ? 25.32145 3.74712   27.26016 1.000 30.31076 ? 97  ARG A CA  1 
ATOM   775  C C   . ARG A 1 97  ? 25.80478 5.16673   27.35986 1.000 30.92678 ? 97  ARG A C   1 
ATOM   776  O O   . ARG A 1 97  ? 26.91628 5.40813   27.84082 1.000 31.44103 ? 97  ARG A O   1 
ATOM   777  C CB  . ARG A 1 97  ? 25.76418 3.18681   25.91739 1.000 31.46295 ? 97  ARG A CB  1 
ATOM   778  C CG  . ARG A 1 97  ? 25.55272 1.70474   25.81355 1.000 34.77398 ? 97  ARG A CG  1 
ATOM   779  C CD  . ARG A 1 97  ? 26.20640 1.15055   24.58175 1.000 41.25551 ? 97  ARG A CD  1 
ATOM   780  N NE  . ARG A 1 97  ? 25.34543 0.09934   24.06422 1.000 45.05588 ? 97  ARG A NE  1 
ATOM   781  C CZ  . ARG A 1 97  ? 25.63566 -1.18628  24.12588 1.000 49.29080 ? 97  ARG A CZ  1 
ATOM   782  N NH1 . ARG A 1 97  ? 26.74586 -1.60934  24.70679 1.000 51.54425 ? 97  ARG A NH1 1 
ATOM   783  N NH2 . ARG A 1 97  ? 24.78813 -2.07037  23.60100 1.000 52.57171 ? 97  ARG A NH2 1 
ATOM   784  N N   . ARG A 1 98  ? 24.96881 6.11795   26.95898 1.000 29.70137 ? 98  ARG A N   1 
ATOM   785  C CA  . ARG A 1 98  ? 25.39974 7.51273   27.01976 1.000 32.64215 ? 98  ARG A CA  1 
ATOM   786  C C   . ARG A 1 98  ? 25.16814 8.10855   28.41056 1.000 32.67650 ? 98  ARG A C   1 
ATOM   787  O O   . ARG A 1 98  ? 25.85298 9.06430   28.80382 1.000 32.86038 ? 98  ARG A O   1 
ATOM   788  C CB  . ARG A 1 98  ? 24.66716 8.29515   25.92567 1.000 36.32134 ? 98  ARG A CB  1 
ATOM   789  C CG  . ARG A 1 98  ? 24.71483 9.82730   26.03702 1.000 46.35876 ? 98  ARG A CG  1 
ATOM   790  C CD  . ARG A 1 98  ? 26.14415 10.39689  25.86140 1.000 55.08371 ? 98  ARG A CD  1 
ATOM   791  N NE  . ARG A 1 98  ? 26.22929 11.74169  26.42425 1.000 62.04349 ? 98  ARG A NE  1 
ATOM   792  C CZ  . ARG A 1 98  ? 26.34956 12.86347  25.72802 1.000 69.22808 ? 98  ARG A CZ  1 
ATOM   793  N NH1 . ARG A 1 98  ? 26.44725 12.85513  24.40384 1.000 66.21217 ? 98  ARG A NH1 1 
ATOM   794  N NH2 . ARG A 1 98  ? 26.35900 14.02527  26.37800 1.000 72.95675 ? 98  ARG A NH2 1 
ATOM   795  N N   . HIS A 1 99  ? 24.20092 7.58002   29.17545 1.000 30.20084 ? 99  HIS A N   1 
ATOM   796  C CA  . HIS A 1 99  ? 23.87561 8.09806   30.50969 1.000 30.70905 ? 99  HIS A CA  1 
ATOM   797  C C   . HIS A 1 99  ? 23.85503 6.95276   31.52388 1.000 30.01870 ? 99  HIS A C   1 
ATOM   798  O O   . HIS A 1 99  ? 22.82558 6.67513   32.15689 1.000 26.06403 ? 99  HIS A O   1 
ATOM   799  C CB  . HIS A 1 99  ? 22.53315 8.83572   30.48026 1.000 29.06511 ? 99  HIS A CB  1 
ATOM   800  C CG  . HIS A 1 99  ? 22.49638 10.02122  29.55794 1.000 33.29417 ? 99  HIS A CG  1 
ATOM   801  N ND1 . HIS A 1 99  ? 21.94036 9.97938   28.29544 1.000 34.15000 ? 99  HIS A ND1 1 
ATOM   802  C CD2 . HIS A 1 99  ? 22.88115 11.30797  29.75260 1.000 37.41670 ? 99  HIS A CD2 1 
ATOM   803  C CE1 . HIS A 1 99  ? 22.02798 11.18196  27.73429 1.000 35.61122 ? 99  HIS A CE1 1 
ATOM   804  N NE2 . HIS A 1 99  ? 22.59646 11.99932  28.59886 1.000 38.42930 ? 99  HIS A NE2 1 
ATOM   805  N N   . PRO A 1 100 ? 24.99311 6.26989   31.72040 1.000 29.78734 ? 100 PRO A N   1 
ATOM   806  C CA  . PRO A 1 100 ? 24.98240 5.00495   32.51062 1.000 28.49729 ? 100 PRO A CA  1 
ATOM   807  C C   . PRO A 1 100 ? 24.67773 5.20612   33.98839 1.000 32.02031 ? 100 PRO A C   1 
ATOM   808  O O   . PRO A 1 100 ? 24.39684 4.22908   34.71989 1.000 29.21222 ? 100 PRO A O   1 
ATOM   809  C CB  . PRO A 1 100 ? 26.41744 4.47032   32.32508 1.000 28.69546 ? 100 PRO A CB  1 
ATOM   810  C CG  . PRO A 1 100 ? 27.23700 5.70159   32.24216 1.000 29.46342 ? 100 PRO A CG  1 
ATOM   811  C CD  . PRO A 1 100 ? 26.36758 6.65770   31.34332 1.000 30.62328 ? 100 PRO A CD  1 
ATOM   812  N N   . ASP A 1 101 ? 24.74924 6.44946   34.45693 1.000 32.40895 ? 101 ASP A N   1 
ATOM   813  C CA  . ASP A 1 101 ? 24.41501 6.80743   35.81524 1.000 34.99866 ? 101 ASP A CA  1 
ATOM   814  C C   . ASP A 1 101 ? 22.91804 6.93425   36.06612 1.000 33.70632 ? 101 ASP A C   1 
ATOM   815  O O   . ASP A 1 101 ? 22.53540 7.14749   37.21543 1.000 36.53887 ? 101 ASP A O   1 
ATOM   816  C CB  . ASP A 1 101 ? 25.13938 8.11266   36.19983 1.000 38.68615 ? 101 ASP A CB  1 
ATOM   817  C CG  . ASP A 1 101 ? 24.72277 9.32569   35.36056 1.000 39.86950 ? 101 ASP A CG  1 
ATOM   818  O OD1 . ASP A 1 101 ? 24.63008 9.23376   34.10090 1.000 36.60497 ? 101 ASP A OD1 1 
ATOM   819  O OD2 . ASP A 1 101 ? 24.53879 10.40147  35.98157 1.000 45.03344 ? 101 ASP A OD2 1 
ATOM   820  N N   . ARG A 1 102 ? 22.04170 6.76805   35.06584 1.000 32.80217 ? 102 ARG A N   1 
ATOM   821  C CA  . ARG A 1 102 ? 20.61667 6.94674   35.30353 1.000 33.15401 ? 102 ARG A CA  1 
ATOM   822  C C   . ARG A 1 102 ? 19.77890 5.90279   34.56197 1.000 33.92345 ? 102 ARG A C   1 
ATOM   823  O O   . ARG A 1 102 ? 20.26650 5.18166   33.69309 1.000 31.72311 ? 102 ARG A O   1 
ATOM   824  C CB  . ARG A 1 102 ? 20.24231 8.39342   34.95451 1.000 39.07102 ? 102 ARG A CB  1 
ATOM   825  C CG  . ARG A 1 102 ? 20.69027 9.25230   36.14434 1.000 42.54248 ? 102 ARG A CG  1 
ATOM   826  C CD  . ARG A 1 102 ? 20.80133 10.62812  35.80575 1.000 45.34576 ? 102 ARG A CD  1 
ATOM   827  N NE  . ARG A 1 102 ? 19.50125 11.26004  35.80906 1.000 45.63905 ? 102 ARG A NE  1 
ATOM   828  C CZ  . ARG A 1 102 ? 19.35090 12.49739  35.38784 1.000 44.50443 ? 102 ARG A CZ  1 
ATOM   829  N NH1 . ARG A 1 102 ? 20.37828 13.16034  34.87791 1.000 42.20761 ? 102 ARG A NH1 1 
ATOM   830  N NH2 . ARG A 1 102 ? 18.14582 13.06135  35.44726 1.000 42.32729 ? 102 ARG A NH2 1 
ATOM   831  N N   . GLU A 1 103 ? 18.52860 5.76315   34.99541 1.000 33.77715 ? 103 GLU A N   1 
ATOM   832  C CA  . GLU A 1 103 ? 17.56471 4.92235   34.29678 1.000 37.51903 ? 103 GLU A CA  1 
ATOM   833  C C   . GLU A 1 103 ? 17.10957 5.68317   33.05932 1.000 33.89715 ? 103 GLU A C   1 
ATOM   834  O O   . GLU A 1 103 ? 16.92477 6.88806   33.11301 1.000 28.46099 ? 103 GLU A O   1 
ATOM   835  C CB  . GLU A 1 103 ? 16.35273 4.62834   35.19431 1.000 42.09859 ? 103 GLU A CB  1 
ATOM   836  C CG  . GLU A 1 103 ? 16.70241 4.20289   36.63142 1.000 48.12297 ? 103 GLU A CG  1 
ATOM   837  C CD  . GLU A 1 103 ? 15.76652 4.83467   37.68778 1.000 62.90624 ? 103 GLU A CD  1 
ATOM   838  O OE1 . GLU A 1 103 ? 14.80328 4.15842   38.11906 1.000 63.23010 ? 103 GLU A OE1 1 
ATOM   839  O OE2 . GLU A 1 103 ? 15.98521 6.01045   38.08199 1.000 63.27399 ? 103 GLU A OE2 1 
ATOM   840  N N   . VAL A 1 104 ? 16.92286 4.99686   31.96199 1.000 28.83621 ? 104 VAL A N   1 
ATOM   841  C CA  . VAL A 1 104 ? 16.62794 5.69522   30.70718 1.000 28.37042 ? 104 VAL A CA  1 
ATOM   842  C C   . VAL A 1 104 ? 15.40007 5.06112   30.06796 1.000 30.78615 ? 104 VAL A C   1 
ATOM   843  O O   . VAL A 1 104 ? 15.13514 3.86058   30.23705 1.000 26.76686 ? 104 VAL A O   1 
ATOM   844  C CB  . VAL A 1 104 ? 17.86051 5.63453   29.74969 1.000 30.48431 ? 104 VAL A CB  1 
ATOM   845  C CG1 . VAL A 1 104 ? 17.51004 6.15086   28.39352 1.000 33.66570 ? 104 VAL A CG1 1 
ATOM   846  C CG2 . VAL A 1 104 ? 19.00040 6.45364   30.30735 1.000 29.91290 ? 104 VAL A CG2 1 
ATOM   847  N N   . ALA A 1 105 ? 14.63091 5.87361   29.34795 1.000 26.93217 ? 105 ALA A N   1 
ATOM   848  C CA  . ALA A 1 105 ? 13.50204 5.40230   28.54140 1.000 27.59744 ? 105 ALA A CA  1 
ATOM   849  C C   . ALA A 1 105 ? 13.56168 6.12603   27.19355 1.000 26.30269 ? 105 ALA A C   1 
ATOM   850  O O   . ALA A 1 105 ? 14.43754 6.97918   26.96755 1.000 25.34501 ? 105 ALA A O   1 
ATOM   851  C CB  . ALA A 1 105 ? 12.16597 5.65652   29.24452 1.000 28.10481 ? 105 ALA A CB  1 
ATOM   852  N N   . ALA A 1 106 ? 12.65889 5.77214   26.27918 1.000 22.45296 ? 106 ALA A N   1 
ATOM   853  C CA  . ALA A 1 106 ? 12.73723 6.35907   24.94371 1.000 25.04023 ? 106 ALA A CA  1 
ATOM   854  C C   . ALA A 1 106 ? 11.34500 6.60131   24.40416 1.000 23.32156 ? 106 ALA A C   1 
ATOM   855  O O   . ALA A 1 106 ? 10.36743 5.99160   24.83016 1.000 21.15874 ? 106 ALA A O   1 
ATOM   856  C CB  . ALA A 1 106 ? 13.53076 5.48122   23.96728 1.000 22.01066 ? 106 ALA A CB  1 
ATOM   857  N N   . VAL A 1 107 ? 11.28851 7.53401   23.46160 1.000 19.13959 ? 107 VAL A N   1 
ATOM   858  C CA  . VAL A 1 107 ? 10.08231 7.92048   22.74241 1.000 22.17096 ? 107 VAL A CA  1 
ATOM   859  C C   . VAL A 1 107 ? 10.44514 7.99971   21.26921 1.000 23.25123 ? 107 VAL A C   1 
ATOM   860  O O   . VAL A 1 107 ? 11.43624 8.64625   20.92956 1.000 18.48365 ? 107 VAL A O   1 
ATOM   861  C CB  . VAL A 1 107 ? 9.56868  9.28505   23.19837 1.000 21.82829 ? 107 VAL A CB  1 
ATOM   862  C CG1 . VAL A 1 107 ? 8.43281  9.78366   22.20661 1.000 22.87054 ? 107 VAL A CG1 1 
ATOM   863  C CG2 . VAL A 1 107 ? 9.11306  9.23236   24.61060 1.000 25.07913 ? 107 VAL A CG2 1 
ATOM   864  N N   . LEU A 1 108 ? 9.61288  7.39199   20.39785 1.000 20.40419 ? 108 LEU A N   1 
ATOM   865  C CA  . LEU A 1 108 ? 9.73368  7.45298   18.95213 1.000 22.57329 ? 108 LEU A CA  1 
ATOM   866  C C   . LEU A 1 108 ? 8.50481  8.16227   18.39579 1.000 19.82426 ? 108 LEU A C   1 
ATOM   867  O O   . LEU A 1 108 ? 7.38734  7.89788   18.85869 1.000 21.96533 ? 108 LEU A O   1 
ATOM   868  C CB  . LEU A 1 108 ? 9.81422  5.96863   18.39122 1.000 22.55123 ? 108 LEU A CB  1 
ATOM   869  C CG  . LEU A 1 108 ? 10.74295 5.55860   17.27827 1.000 30.88649 ? 108 LEU A CG  1 
ATOM   870  C CD1 . LEU A 1 108 ? 12.07989 5.86306   17.75353 1.000 28.63745 ? 108 LEU A CD1 1 
ATOM   871  C CD2 . LEU A 1 108 ? 10.75103 4.03779   17.05348 1.000 24.60780 ? 108 LEU A CD2 1 
ATOM   872  N N   . THR A 1 109 ? 8.69581  9.05407   17.43107 1.000 17.14658 ? 109 THR A N   1 
ATOM   873  C CA  . THR A 1 109 ? 7.59064  9.69000   16.68687 1.000 17.39113 ? 109 THR A CA  1 
ATOM   874  C C   . THR A 1 109 ? 7.59848  9.25638   15.23318 1.000 22.90861 ? 109 THR A C   1 
ATOM   875  O O   . THR A 1 109 ? 8.65782  9.19433   14.57908 1.000 19.41738 ? 109 THR A O   1 
ATOM   876  C CB  . THR A 1 109 ? 7.71285  11.20883  16.78652 1.000 23.65815 ? 109 THR A CB  1 
ATOM   877  O OG1 . THR A 1 109 ? 7.77735  11.54167  18.17490 1.000 22.38109 ? 109 THR A OG1 1 
ATOM   878  C CG2 . THR A 1 109 ? 6.49249  11.86539  16.22175 1.000 22.55762 ? 109 THR A CG2 1 
ATOM   879  N N   . VAL A 1 110 ? 6.42293  8.92576   14.71664 1.000 17.97563 ? 110 VAL A N   1 
ATOM   880  C CA  . VAL A 1 110 ? 6.30251  8.39853   13.36759 1.000 19.64828 ? 110 VAL A CA  1 
ATOM   881  C C   . VAL A 1 110 ? 5.21818  9.21034   12.70368 1.000 20.62846 ? 110 VAL A C   1 
ATOM   882  O O   . VAL A 1 110 ? 4.19838  9.48384   13.33381 1.000 18.97112 ? 110 VAL A O   1 
ATOM   883  C CB  . VAL A 1 110 ? 5.92846  6.90513   13.33607 1.000 20.51511 ? 110 VAL A CB  1 
ATOM   884  C CG1 . VAL A 1 110 ? 5.77059  6.48029   11.84381 1.000 20.28111 ? 110 VAL A CG1 1 
ATOM   885  C CG2 . VAL A 1 110 ? 7.02082  6.11484   14.04452 1.000 21.30412 ? 110 VAL A CG2 1 
ATOM   886  N N   . ALA A 1 111 ? 5.49430  9.69845   11.51749 1.000 17.32222 ? 111 ALA A N   1 
ATOM   887  C CA  . ALA A 1 111 ? 4.54801  10.54770  10.79956 1.000 19.69695 ? 111 ALA A CA  1 
ATOM   888  C C   . ALA A 1 111 ? 4.35023  10.01685  9.40353  1.000 21.13360 ? 111 ALA A C   1 
ATOM   889  O O   . ALA A 1 111 ? 5.25264  9.41674   8.79877  1.000 20.25580 ? 111 ALA A O   1 
ATOM   890  C CB  . ALA A 1 111 ? 4.98319  12.02910  10.71401 1.000 21.48413 ? 111 ALA A CB  1 
ATOM   891  N N   . VAL A 1 112 ? 3.15073  10.24649  8.86410  1.000 22.73414 ? 112 VAL A N   1 
ATOM   892  C CA  . VAL A 1 112 ? 2.90728  9.89213   7.46991  1.000 22.86631 ? 112 VAL A CA  1 
ATOM   893  C C   . VAL A 1 112 ? 2.12182  11.02874  6.82893  1.000 25.26854 ? 112 VAL A C   1 
ATOM   894  O O   . VAL A 1 112 ? 1.30272  11.66743  7.48380  1.000 22.91368 ? 112 VAL A O   1 
ATOM   895  C CB  . VAL A 1 112 ? 2.14722  8.54617   7.31905  1.000 25.51654 ? 112 VAL A CB  1 
ATOM   896  C CG1 . VAL A 1 112 ? 0.66258  8.68494   7.68094  1.000 23.54754 ? 112 VAL A CG1 1 
ATOM   897  C CG2 . VAL A 1 112 ? 2.24534  8.03695   5.88401  1.000 25.14332 ? 112 VAL A CG2 1 
ATOM   898  N N   . VAL A 1 113 ? 2.31522  11.22446  5.52636  1.000 22.98128 ? 113 VAL A N   1 
ATOM   899  C CA  . VAL A 1 113 ? 1.45313  12.11428  4.75103  1.000 27.01985 ? 113 VAL A CA  1 
ATOM   900  C C   . VAL A 1 113 ? 0.50045  11.24780  3.93121  1.000 28.54611 ? 113 VAL A C   1 
ATOM   901  O O   . VAL A 1 113 ? 0.92793  10.35033  3.20091  1.000 26.30702 ? 113 VAL A O   1 
ATOM   902  C CB  . VAL A 1 113 ? 2.28123  13.06965  3.86547  1.000 27.04006 ? 113 VAL A CB  1 
ATOM   903  C CG1 . VAL A 1 113 ? 1.35052  13.95055  3.02403  1.000 29.84385 ? 113 VAL A CG1 1 
ATOM   904  C CG2 . VAL A 1 113 ? 3.20217  13.96272  4.76538  1.000 28.03010 ? 113 VAL A CG2 1 
ATOM   905  N N   . HIS A 1 114 ? -0.79168 11.44490  4.11692  1.000 29.20639 ? 114 HIS A N   1 
ATOM   906  C CA  . HIS A 1 114 ? -1.76800 10.64363  3.39637  1.000 32.61711 ? 114 HIS A CA  1 
ATOM   907  C C   . HIS A 1 114 ? -2.88536 11.56952  2.95316  1.000 34.58977 ? 114 HIS A C   1 
ATOM   908  O O   . HIS A 1 114 ? -3.46419 12.27195  3.79188  1.000 32.38368 ? 114 HIS A O   1 
ATOM   909  C CB  . HIS A 1 114 ? -2.29952 9.48637   4.25919  1.000 31.72710 ? 114 HIS A CB  1 
ATOM   910  C CG  . HIS A 1 114 ? -3.35549 8.67751   3.57805  1.000 35.96477 ? 114 HIS A CG  1 
ATOM   911  N ND1 . HIS A 1 114 ? -3.16385 8.11344   2.33786  1.000 38.52663 ? 114 HIS A ND1 1 
ATOM   912  C CD2 . HIS A 1 114 ? -4.62692 8.37298   3.94350  1.000 38.16101 ? 114 HIS A CD2 1 
ATOM   913  C CE1 . HIS A 1 114 ? -4.27421 7.50116   1.95723  1.000 41.95082 ? 114 HIS A CE1 1 
ATOM   914  N NE2 . HIS A 1 114 ? -5.17363 7.63436   2.92076  1.000 43.14073 ? 114 HIS A NE2 1 
ATOM   915  N N   . ASP A 1 115 ? -3.11908 11.62993  1.63027  1.000 35.99583 ? 115 ASP A N   1 
ATOM   916  C CA  . ASP A 1 115 ? -4.16991 12.46576  1.03348  1.000 38.18910 ? 115 ASP A CA  1 
ATOM   917  C C   . ASP A 1 115 ? -4.07925 13.91908  1.51930  1.000 36.37410 ? 115 ASP A C   1 
ATOM   918  O O   . ASP A 1 115 ? -5.04834 14.50604  2.02359  1.000 37.03887 ? 115 ASP A O   1 
ATOM   919  C CB  . ASP A 1 115 ? -5.54438 11.87170  1.32924  1.000 40.57485 ? 115 ASP A CB  1 
ATOM   920  C CG  . ASP A 1 115 ? -5.86022 10.66817  0.44010  1.000 53.91347 ? 115 ASP A CG  1 
ATOM   921  O OD1 . ASP A 1 115 ? -6.64965 9.79995   0.88736  1.000 57.29926 ? 115 ASP A OD1 1 
ATOM   922  O OD2 . ASP A 1 115 ? -5.32619 10.59784  -0.71156 1.000 56.52583 ? 115 ASP A OD2 1 
ATOM   923  N N   . GLY A 1 116 ? -2.87475 14.48215  1.42763  1.000 33.86561 ? 116 GLY A N   1 
ATOM   924  C CA  . GLY A 1 116 ? -2.67662 15.85908  1.80636  1.000 33.35624 ? 116 GLY A CA  1 
ATOM   925  C C   . GLY A 1 116 ? -2.59814 16.15736  3.29109  1.000 34.27673 ? 116 GLY A C   1 
ATOM   926  O O   . GLY A 1 116 ? -2.38067 17.31957  3.65057  1.000 35.42856 ? 116 GLY A O   1 
ATOM   927  N N   . GLU A 1 117 ? -2.74654 15.17496  4.18281  1.000 31.86635 ? 117 GLU A N   1 
ATOM   928  C CA  . GLU A 1 117 ? -2.71965 15.47726  5.59778  1.000 31.99518 ? 117 GLU A CA  1 
ATOM   929  C C   . GLU A 1 117 ? -1.55266 14.73565  6.23060  1.000 30.46185 ? 117 GLU A C   1 
ATOM   930  O O   . GLU A 1 117 ? -1.05795 13.73990  5.68773  1.000 28.75552 ? 117 GLU A O   1 
ATOM   931  C CB  . GLU A 1 117 ? -4.05462 15.13041  6.30863  1.000 33.97242 ? 117 GLU A CB  1 
ATOM   932  C CG  . GLU A 1 117 ? -5.31726 15.84617  5.70536  1.000 37.73690 ? 117 GLU A CG  1 
ATOM   933  C CD  . GLU A 1 117 ? -5.20833 17.39062  5.68072  1.000 42.67961 ? 117 GLU A CD  1 
ATOM   934  O OE1 . GLU A 1 117 ? -4.33497 17.94714  6.38209  1.000 45.16948 ? 117 GLU A OE1 1 
ATOM   935  O OE2 . GLU A 1 117 ? -5.96140 18.04777  4.91161  1.000 43.68657 ? 117 GLU A OE2 1 
ATOM   936  N N   . VAL A 1 118 ? -1.08429 15.27531  7.34703  1.000 27.78267 ? 118 VAL A N   1 
ATOM   937  C CA  . VAL A 1 118 ? -0.07852 14.63826  8.19547  1.000 28.60212 ? 118 VAL A CA  1 
ATOM   938  C C   . VAL A 1 118 ? -0.80221 13.93430  9.33315  1.000 28.24376 ? 118 VAL A C   1 
ATOM   939  O O   . VAL A 1 118 ? -1.65518 14.52452  10.00924 1.000 27.45814 ? 118 VAL A O   1 
ATOM   940  C CB  . VAL A 1 118 ? 0.93443  15.66046  8.75825  1.000 25.93833 ? 118 VAL A CB  1 
ATOM   941  C CG1 . VAL A 1 118 ? 2.01763  14.96286  9.60463  1.000 26.57935 ? 118 VAL A CG1 1 
ATOM   942  C CG2 . VAL A 1 118 ? 1.61241  16.41479  7.65325  1.000 27.08761 ? 118 VAL A CG2 1 
ATOM   943  N N   . ILE A 1 119 ? -0.43326 12.69075  9.58482  1.000 24.37846 ? 119 ILE A N   1 
ATOM   944  C CA  . ILE A 1 119 ? -0.85076 12.00373  10.78339 1.000 24.18416 ? 119 ILE A CA  1 
ATOM   945  C C   . ILE A 1 119 ? 0.42706  11.61263  11.49695 1.000 25.27961 ? 119 ILE A C   1 
ATOM   946  O O   . ILE A 1 119 ? 1.33124  11.06303  10.85531 1.000 19.00161 ? 119 ILE A O   1 
ATOM   947  C CB  . ILE A 1 119 ? -1.66669 10.73594  10.45415 1.000 26.52807 ? 119 ILE A CB  1 
ATOM   948  C CG1 . ILE A 1 119 ? -2.90257 11.11277  9.63181  1.000 29.31831 ? 119 ILE A CG1 1 
ATOM   949  C CG2 . ILE A 1 119 ? -1.93839 9.97644   11.76672 1.000 26.72087 ? 119 ILE A CG2 1 
ATOM   950  C CD1 . ILE A 1 119 ? -3.44092 9.95295   8.81271  1.000 32.63509 ? 119 ILE A CD1 1 
ATOM   951  N N   . ALA A 1 120 ? 0.54251  11.97647  12.76580 1.000 20.49354 ? 120 ALA A N   1 
ATOM   952  C CA  . ALA A 1 120 ? 1.74516  11.68839  13.54081 1.000 22.87908 ? 120 ALA A CA  1 
ATOM   953  C C   . ALA A 1 120 ? 1.35059  11.00586  14.84364 1.000 24.89103 ? 120 ALA A C   1 
ATOM   954  O O   . ALA A 1 120 ? 0.31818  11.31749  15.43356 1.000 20.35474 ? 120 ALA A O   1 
ATOM   955  C CB  . ALA A 1 120 ? 2.53967  12.97934  13.82616 1.000 21.76993 ? 120 ALA A CB  1 
ATOM   956  N N   . THR A 1 121 ? 2.19453  10.08233  15.30801 1.000 23.55090 ? 121 THR A N   1 
ATOM   957  C CA  . THR A 1 121 ? 1.92793  9.36152   16.54295 1.000 22.08887 ? 121 THR A CA  1 
ATOM   958  C C   . THR A 1 121 ? 3.22801  9.21130   17.31883 1.000 22.94386 ? 121 THR A C   1 
ATOM   959  O O   . THR A 1 121 ? 4.28404  9.00601   16.71253 1.000 20.91666 ? 121 THR A O   1 
ATOM   960  C CB  . THR A 1 121 ? 1.33437  7.98728   16.18929 1.000 23.37620 ? 121 THR A CB  1 
ATOM   961  O OG1 . THR A 1 121 ? 0.21367  8.21393   15.31096 1.000 24.60490 ? 121 THR A OG1 1 
ATOM   962  C CG2 . THR A 1 121 ? 0.88490  7.18529   17.41406 1.000 24.95364 ? 121 THR A CG2 1 
ATOM   963  N N   . ILE A 1 122 ? 3.08896  9.17788   18.64111 1.000 18.97903 ? 122 ILE A N   1 
ATOM   964  C CA  . ILE A 1 122 ? 4.16036  9.02344   19.63990 1.000 21.87845 ? 122 ILE A CA  1 
ATOM   965  C C   . ILE A 1 122 ? 4.09121  7.62236   20.22389 1.000 24.55094 ? 122 ILE A C   1 
ATOM   966  O O   . ILE A 1 122 ? 3.00244  7.16103   20.59142 1.000 23.04382 ? 122 ILE A O   1 
ATOM   967  C CB  . ILE A 1 122 ? 3.97263  10.02517  20.79154 1.000 24.63083 ? 122 ILE A CB  1 
ATOM   968  C CG1 . ILE A 1 122 ? 4.25906  11.45541  20.34506 1.000 25.03840 ? 122 ILE A CG1 1 
ATOM   969  C CG2 . ILE A 1 122 ? 4.79909  9.58837   22.04357 1.000 24.79599 ? 122 ILE A CG2 1 
ATOM   970  C CD1 . ILE A 1 122 ? 5.68097  11.86675  20.44051 1.000 26.17813 ? 122 ILE A CD1 1 
ATOM   971  N N   . PHE A 1 123 ? 5.23654  6.95888   20.36171 1.000 20.64319 ? 123 PHE A N   1 
ATOM   972  C CA  . PHE A 1 123 ? 5.28901  5.59421   20.89273 1.000 21.67157 ? 123 PHE A CA  1 
ATOM   973  C C   . PHE A 1 123 ? 6.28237  5.59272   22.03940 1.000 24.34160 ? 123 PHE A C   1 
ATOM   974  O O   . PHE A 1 123 ? 7.39987  6.06706   21.87231 1.000 21.39651 ? 123 PHE A O   1 
ATOM   975  C CB  . PHE A 1 123 ? 5.73373  4.61534   19.80490 1.000 23.44833 ? 123 PHE A CB  1 
ATOM   976  C CG  . PHE A 1 123 ? 4.72847  4.47867   18.69737 1.000 23.96426 ? 123 PHE A CG  1 
ATOM   977  C CD1 . PHE A 1 123 ? 3.77498  3.46426   18.74450 1.000 27.28645 ? 123 PHE A CD1 1 
ATOM   978  C CD2 . PHE A 1 123 ? 4.76543  5.31717   17.60219 1.000 21.97712 ? 123 PHE A CD2 1 
ATOM   979  C CE1 . PHE A 1 123 ? 2.83804  3.31491   17.70724 1.000 23.03360 ? 123 PHE A CE1 1 
ATOM   980  C CE2 . PHE A 1 123 ? 3.82009  5.17993   16.57360 1.000 22.85263 ? 123 PHE A CE2 1 
ATOM   981  C CZ  . PHE A 1 123 ? 2.84391  4.15984   16.66702 1.000 25.07341 ? 123 PHE A CZ  1 
ATOM   982  N N   . ALA A 1 124 ? 5.85223  5.13747   23.23288 1.000 24.56886 ? 124 ALA A N   1 
ATOM   983  C CA  . ALA A 1 124 ? 6.71464  5.13922   24.41620 1.000 27.11741 ? 124 ALA A CA  1 
ATOM   984  C C   . ALA A 1 124 ? 7.34060  3.76943   24.65953 1.000 30.92781 ? 124 ALA A C   1 
ATOM   985  O O   . ALA A 1 124 ? 6.73008  2.72215   24.40819 1.000 30.09091 ? 124 ALA A O   1 
ATOM   986  C CB  . ALA A 1 124 ? 5.93781  5.56305   25.66836 1.000 30.21609 ? 124 ALA A CB  1 
ATOM   987  N N   . SER A 1 125 ? 8.55301  3.78799   25.17097 1.000 28.46637 ? 125 SER A N   1 
ATOM   988  C CA  . SER A 1 125 ? 9.26886  2.56549   25.47371 1.000 32.91915 ? 125 SER A CA  1 
ATOM   989  C C   . SER A 1 125 ? 8.74648  1.93911   26.76228 1.000 36.81150 ? 125 SER A C   1 
ATOM   990  O O   . SER A 1 125 ? 8.11413  2.60584   27.58985 1.000 34.75671 ? 125 SER A O   1 
ATOM   991  C CB  . SER A 1 125 ? 10.77973 2.84047   25.52578 1.000 31.22782 ? 125 SER A CB  1 
ATOM   992  O OG  . SER A 1 125 ? 11.19427 3.43283   26.73252 1.000 30.72342 ? 125 SER A OG  1 
ATOM   993  N N   . PRO A 1 126 ? 8.94321  0.62432   26.92296 1.000 40.21859 ? 126 PRO A N   1 
ATOM   994  C CA  . PRO A 1 126 ? 8.32871  -0.05127  28.06598 1.000 40.20441 ? 126 PRO A CA  1 
ATOM   995  C C   . PRO A 1 126 ? 8.71529  0.58770   29.39488 1.000 38.95261 ? 126 PRO A C   1 
ATOM   996  O O   . PRO A 1 126 ? 7.84614  0.80643   30.24414 1.000 40.92598 ? 126 PRO A O   1 
ATOM   997  C CB  . PRO A 1 126 ? 8.82831  -1.49959  27.91806 1.000 42.00736 ? 126 PRO A CB  1 
ATOM   998  C CG  . PRO A 1 126 ? 9.19444  -1.65016  26.50130 1.000 42.98930 ? 126 PRO A CG  1 
ATOM   999  C CD  . PRO A 1 126 ? 9.66997  -0.31649  26.04048 1.000 40.91867 ? 126 PRO A CD  1 
ATOM   1000 N N   . ARG A 1 127 ? 9.98035  0.97822   29.56709 1.000 40.35289 ? 127 ARG A N   1 
ATOM   1001 C CA  . ARG A 1 127 ? 10.36115 1.66703   30.80108 1.000 40.57591 ? 127 ARG A CA  1 
ATOM   1002 C C   . ARG A 1 127 ? 9.57145  2.95356   30.98977 1.000 39.37505 ? 127 ARG A C   1 
ATOM   1003 O O   . ARG A 1 127 ? 9.18945  3.29555   32.11067 1.000 37.44805 ? 127 ARG A O   1 
ATOM   1004 C CB  . ARG A 1 127 ? 11.85527 1.97406   30.82096 1.000 41.04568 ? 127 ARG A CB  1 
ATOM   1005 C CG  . ARG A 1 127 ? 12.47691 1.90223   32.22274 1.000 48.37136 ? 127 ARG A CG  1 
ATOM   1006 C CD  . ARG A 1 127 ? 11.96142 0.69204   33.06570 1.000 55.32924 ? 127 ARG A CD  1 
ATOM   1007 N NE  . ARG A 1 127 ? 11.76383 -0.52996  32.27360 1.000 71.91476 ? 127 ARG A NE  1 
ATOM   1008 C CZ  . ARG A 1 127 ? 11.32286 -1.68627  32.75642 1.000 54.94708 ? 127 ARG A CZ  1 
ATOM   1009 N NH1 . ARG A 1 127 ? 11.07684 -1.83967  34.04659 1.000 55.44780 ? 127 ARG A NH1 1 
ATOM   1010 N NH2 . ARG A 1 127 ? 11.09258 -2.69955  31.91764 1.000 50.43789 ? 127 ARG A NH2 1 
ATOM   1011 N N   . LEU A 1 128 ? 9.32150  3.69766   29.91062 1.000 34.17157 ? 128 LEU A N   1 
ATOM   1012 C CA  . LEU A 1 128 ? 8.53026  4.91188   30.08960 1.000 34.09832 ? 128 LEU A CA  1 
ATOM   1013 C C   . LEU A 1 128 ? 7.10981  4.55564   30.50027 1.000 37.70473 ? 128 LEU A C   1 
ATOM   1014 O O   . LEU A 1 128 ? 6.53911  5.14536   31.42859 1.000 38.46648 ? 128 LEU A O   1 
ATOM   1015 C CB  . LEU A 1 128 ? 8.53691  5.73910   28.80392 1.000 32.09109 ? 128 LEU A CB  1 
ATOM   1016 C CG  . LEU A 1 128 ? 7.78791  7.05840   28.94027 1.000 32.20721 ? 128 LEU A CG  1 
ATOM   1017 C CD1 . LEU A 1 128 ? 8.37383  7.77712   30.11889 1.000 31.87932 ? 128 LEU A CD1 1 
ATOM   1018 C CD2 . LEU A 1 128 ? 7.96520  7.88336   27.69199 1.000 26.98764 ? 128 LEU A CD2 1 
ATOM   1019 N N   . ARG A 1 129 ? 6.51380  3.59591   29.80919 1.000 39.48438 ? 129 ARG A N   1 
ATOM   1020 C CA  . ARG A 1 129 ? 5.16494  3.19494   30.18011 1.000 41.84644 ? 129 ARG A CA  1 
ATOM   1021 C C   . ARG A 1 129 ? 5.10637  2.78663   31.65463 1.000 44.39447 ? 129 ARG A C   1 
ATOM   1022 O O   . ARG A 1 129 ? 4.20220  3.20768   32.38532 1.000 45.35750 ? 129 ARG A O   1 
ATOM   1023 C CB  . ARG A 1 129 ? 4.69111  2.08443   29.24517 1.000 42.48775 ? 129 ARG A CB  1 
ATOM   1024 C CG  . ARG A 1 129 ? 4.02419  2.69859   28.00956 1.000 45.76531 ? 129 ARG A CG  1 
ATOM   1025 C CD  . ARG A 1 129 ? 3.52457  1.65488   27.03924 1.000 49.84827 ? 129 ARG A CD  1 
ATOM   1026 N NE  . ARG A 1 129 ? 4.50772  1.35070   26.01069 1.000 53.28509 ? 129 ARG A NE  1 
ATOM   1027 C CZ  . ARG A 1 129 ? 5.18090  0.21189   25.91593 1.000 47.42909 ? 129 ARG A CZ  1 
ATOM   1028 N NH1 . ARG A 1 129 ? 5.01567  -0.76572  26.79580 1.000 49.57038 ? 129 ARG A NH1 1 
ATOM   1029 N NH2 . ARG A 1 129 ? 6.05066  0.05429   24.91727 1.000 43.68883 ? 129 ARG A NH2 1 
ATOM   1030 N N   . GLU A 1 130 ? 6.11839  2.06111   32.13574 1.000 44.53785 ? 130 GLU A N   1 
ATOM   1031 C CA  . GLU A 1 130 ? 6.13609  1.71199   33.55478 1.000 48.07016 ? 130 GLU A CA  1 
ATOM   1032 C C   . GLU A 1 130 ? 6.19702  2.95888   34.43389 1.000 48.63762 ? 130 GLU A C   1 
ATOM   1033 O O   . GLU A 1 130 ? 5.48428  3.05400   35.44092 1.000 49.74143 ? 130 GLU A O   1 
ATOM   1034 C CB  . GLU A 1 130 ? 7.31751  0.79016   33.85884 1.000 52.20998 ? 130 GLU A CB  1 
ATOM   1035 C CG  . GLU A 1 130 ? 7.17182  -0.60702  33.27260 1.000 57.89465 ? 130 GLU A CG  1 
ATOM   1036 C CD  . GLU A 1 130 ? 6.68710  -1.61113  34.29403 1.000 70.66601 ? 130 GLU A CD  1 
ATOM   1037 O OE1 . GLU A 1 130 ? 5.67306  -1.30606  34.96383 1.000 74.65349 ? 130 GLU A OE1 1 
ATOM   1038 O OE2 . GLU A 1 130 ? 7.31681  -2.68672  34.43649 1.000 73.60856 ? 130 GLU A OE2 1 
ATOM   1039 N N   . ALA A 1 131 ? 7.03980  3.93001   34.06319 1.000 46.12595 ? 131 ALA A N   1 
ATOM   1040 C CA  . ALA A 1 131 ? 7.22019  5.12492   34.88344 1.000 45.36493 ? 131 ALA A CA  1 
ATOM   1041 C C   . ALA A 1 131 ? 5.96426  5.97172   34.93144 1.000 47.78695 ? 131 ALA A C   1 
ATOM   1042 O O   . ALA A 1 131 ? 5.69164  6.61202   35.94949 1.000 55.16872 ? 131 ALA A O   1 
ATOM   1043 C CB  . ALA A 1 131 ? 8.38076  5.97200   34.34576 1.000 43.00503 ? 131 ALA A CB  1 
ATOM   1044 N N   . LEU A 1 132 ? 5.22446  6.02986   33.82594 1.000 47.44295 ? 132 LEU A N   1 
ATOM   1045 C CA  . LEU A 1 132 ? 4.02614  6.84966   33.72315 1.000 49.36944 ? 132 LEU A CA  1 
ATOM   1046 C C   . LEU A 1 132 ? 2.86938  6.30511   34.54775 1.000 53.18661 ? 132 LEU A C   1 
ATOM   1047 O O   . LEU A 1 132 ? 1.88767  7.02905   34.75457 1.000 56.63196 ? 132 LEU A O   1 
ATOM   1048 C CB  . LEU A 1 132 ? 3.62848  6.97228   32.24308 1.000 47.27290 ? 132 LEU A CB  1 
ATOM   1049 C CG  . LEU A 1 132 ? 4.35344  8.05283   31.42029 1.000 44.70909 ? 132 LEU A CG  1 
ATOM   1050 C CD1 . LEU A 1 132 ? 3.57946  8.49602   30.21745 1.000 44.29897 ? 132 LEU A CD1 1 
ATOM   1051 C CD2 . LEU A 1 132 ? 4.51360  9.27632   32.30900 1.000 47.65559 ? 132 LEU A CD2 1 
ATOM   1052 N N   . LYS A 1 133 ? 2.96459  5.06491   35.02315 1.000 56.24961 ? 133 LYS A N   1 
ATOM   1053 C CA  . LYS A 1 133 ? 1.88825  4.43734   35.79623 1.000 56.14044 ? 133 LYS A CA  1 
ATOM   1054 C C   . LYS A 1 133 ? 1.73669  5.18128   37.11625 1.000 59.58310 ? 133 LYS A C   1 
ATOM   1055 O O   . LYS A 1 133 ? 0.66601  5.70805   37.42082 1.000 65.78710 ? 133 LYS A O   1 
ATOM   1056 C CB  . LYS A 1 133 ? 2.17926  2.94823   36.04633 1.000 52.56422 ? 133 LYS A CB  1 
ATOM   1057 C CG  . LYS A 1 133 ? 2.36579  2.12926   34.76000 1.000 53.12293 ? 133 LYS A CG  1 
ATOM   1058 C CD  . LYS A 1 133 ? 1.31922  2.52659   33.71873 1.000 54.33353 ? 133 LYS A CD  1 
ATOM   1059 C CE  . LYS A 1 133 ? 1.46335  1.91578   32.30257 1.000 51.57362 ? 133 LYS A CE  1 
ATOM   1060 N NZ  . LYS A 1 133 ? 1.85773  2.96012   31.26617 1.000 47.90221 ? 133 LYS A NZ  1 
ATOM   1061 O OXT . LYS A 1 133 ? 2.69197  5.29357   37.88945 1.000 59.82822 ? 133 LYS A OXT 1 
ATOM   1062 N N   . LYS B 2 1   ? -0.08581 -8.10286  -0.85221 1.000 50.93930 ? 134 LYS B N   1 
ATOM   1063 C CA  . LYS B 2 1   ? 0.85990  -6.99914  -0.76560 1.000 52.70202 ? 134 LYS B CA  1 
ATOM   1064 C C   . LYS B 2 1   ? 0.20054  -5.68596  -1.14548 1.000 56.11510 ? 134 LYS B C   1 
ATOM   1065 O O   . LYS B 2 1   ? -0.89840 -5.67638  -1.70378 1.000 61.16748 ? 134 LYS B O   1 
ATOM   1066 C CB  . LYS B 2 1   ? 2.06989  -7.24119  -1.67176 1.000 53.80911 ? 134 LYS B CB  1 
ATOM   1067 C CG  . LYS B 2 1   ? 1.77392  -7.09815  -3.14023 1.000 62.26293 ? 134 LYS B CG  1 
ATOM   1068 C CD  . LYS B 2 1   ? 2.98655  -6.55947  -3.90432 1.000 68.00122 ? 134 LYS B CD  1 
ATOM   1069 C CE  . LYS B 2 1   ? 2.59773  -6.06095  -5.30208 1.000 73.56449 ? 134 LYS B CE  1 
ATOM   1070 N NZ  . LYS B 2 1   ? 2.82026  -4.59221  -5.48900 1.000 69.75600 ? 134 LYS B NZ  1 
ATOM   1071 N N   . CYS B 2 2   ? 0.87491  -4.57899  -0.84062 1.000 54.04641 ? 135 CYS B N   1 
ATOM   1072 C CA  . CYS B 2 2   ? 0.50935  -3.28928  -1.41455 1.000 57.64061 ? 135 CYS B CA  1 
ATOM   1073 C C   . CYS B 2 2   ? 0.77537  -3.30596  -2.90727 1.000 65.48182 ? 135 CYS B C   1 
ATOM   1074 O O   . CYS B 2 2   ? 1.92768  -3.23341  -3.34334 1.000 75.38419 ? 135 CYS B O   1 
ATOM   1075 C CB  . CYS B 2 2   ? 1.28947  -2.16071  -0.75613 1.000 53.89230 ? 135 CYS B CB  1 
ATOM   1076 S SG  . CYS B 2 2   ? 0.44752  -1.54984  0.66105  1.000 46.86788 ? 135 CYS B SG  1 
ATOM   1077 N N   . ASN B 2 3   ? -0.28981 -3.39033  -3.69250 1.000 67.89427 ? 136 ASN B N   1 
ATOM   1078 C CA  . ASN B 2 3   ? -0.16354 -3.40625  -5.13895 1.000 71.81706 ? 136 ASN B CA  1 
ATOM   1079 C C   . ASN B 2 3   ? -0.34286 -2.02173  -5.73071 1.000 71.06251 ? 136 ASN B C   1 
ATOM   1080 O O   . ASN B 2 3   ? 0.38323  -1.63934  -6.65404 1.000 72.40074 ? 136 ASN B O   1 
ATOM   1081 C CB  . ASN B 2 3   ? -1.18651 -4.38367  -5.73378 1.000 74.21736 ? 136 ASN B CB  1 
ATOM   1082 C CG  . ASN B 2 3   ? -0.95665 -4.65113  -7.20062 1.000 82.87347 ? 136 ASN B CG  1 
ATOM   1083 O OD1 . ASN B 2 3   ? 0.18601  -4.68081  -7.66557 1.000 92.42863 ? 136 ASN B OD1 1 
ATOM   1084 N ND2 . ASN B 2 3   ? -2.03669 -4.90857  -7.93156 1.000 81.48038 ? 136 ASN B ND2 1 
ATOM   1085 N N   . THR B 2 4   ? -1.25473 -1.24293  -5.15784 1.000 67.31036 ? 137 THR B N   1 
ATOM   1086 C CA  . THR B 2 4   ? -1.64180 0.03797   -5.72149 1.000 62.90162 ? 137 THR B CA  1 
ATOM   1087 C C   . THR B 2 4   ? -0.67838 1.13680   -5.28946 1.000 59.36179 ? 137 THR B C   1 
ATOM   1088 O O   . THR B 2 4   ? 0.50901  0.87958   -5.06001 1.000 59.81824 ? 137 THR B O   1 
ATOM   1089 C CB  . THR B 2 4   ? -3.07807 0.36008   -5.31742 1.000 58.85324 ? 137 THR B CB  1 
ATOM   1090 O OG1 . THR B 2 4   ? -3.24947 0.12357   -3.91046 1.000 56.54348 ? 137 THR B OG1 1 
ATOM   1091 C CG2 . THR B 2 4   ? -4.03597 -0.56092  -6.07252 1.000 54.68746 ? 137 THR B CG2 1 
ATOM   1092 N N   . ALA B 2 5   ? -1.17979 2.36334   -5.18971 1.000 55.57908 ? 138 ALA B N   1 
ATOM   1093 C CA  . ALA B 2 5   ? -0.33925 3.55428   -5.14604 1.000 54.64592 ? 138 ALA B CA  1 
ATOM   1094 C C   . ALA B 2 5   ? -0.35677 4.21911   -3.77652 1.000 52.65575 ? 138 ALA B C   1 
ATOM   1095 O O   . ALA B 2 5   ? 0.69440  4.40665   -3.15066 1.000 51.79090 ? 138 ALA B O   1 
ATOM   1096 C CB  . ALA B 2 5   ? -0.79253 4.54798   -6.22583 1.000 51.98161 ? 138 ALA B CB  1 
ATOM   1097 N N   . THR B 2 6   ? -1.52994 4.60272   -3.29811 1.000 49.66182 ? 139 THR B N   1 
ATOM   1098 C CA  . THR B 2 6   ? -1.63227 5.06297   -1.93155 1.000 45.30507 ? 139 THR B CA  1 
ATOM   1099 C C   . THR B 2 6   ? -1.76213 3.91974   -0.91828 1.000 42.03805 ? 139 THR B C   1 
ATOM   1100 O O   . THR B 2 6   ? -2.12770 4.19228   0.22065  1.000 36.85409 ? 139 THR B O   1 
ATOM   1101 C CB  . THR B 2 6   ? -2.81450 6.02352   -1.80079 1.000 46.04584 ? 139 THR B CB  1 
ATOM   1102 O OG1 . THR B 2 6   ? -4.03326 5.27122   -1.75413 1.000 50.05954 ? 139 THR B OG1 1 
ATOM   1103 C CG2 . THR B 2 6   ? -2.83876 7.04245   -2.93286 1.000 43.03983 ? 139 THR B CG2 1 
ATOM   1104 N N   . CYS B 2 7   ? -1.48428 2.66318   -1.30565 1.000 43.43613 ? 140 CYS B N   1 
ATOM   1105 C CA  . CYS B 2 7   ? -1.60792 1.54521   -0.37148 1.000 41.40420 ? 140 CYS B CA  1 
ATOM   1106 C C   . CYS B 2 7   ? -0.66243 1.68840   0.81979  1.000 37.74025 ? 140 CYS B C   1 
ATOM   1107 O O   . CYS B 2 7   ? -1.06416 1.47315   1.97310  1.000 34.35216 ? 140 CYS B O   1 
ATOM   1108 C CB  . CYS B 2 7   ? -1.34330 0.21792   -1.08645 1.000 49.61258 ? 140 CYS B CB  1 
ATOM   1109 S SG  . CYS B 2 7   ? -1.46937 -1.22160  -0.00552 1.000 68.12092 ? 140 CYS B SG  1 
ATOM   1110 N N   . ALA B 2 8   ? 0.60737  2.02518   0.55602  1.000 36.52925 ? 141 ALA B N   1 
ATOM   1111 C CA  . ALA B 2 8   ? 1.59475  2.14018   1.62261  1.000 35.25132 ? 141 ALA B CA  1 
ATOM   1112 C C   . ALA B 2 8   ? 1.21658  3.21735   2.63780  1.000 32.86052 ? 141 ALA B C   1 
ATOM   1113 O O   . ALA B 2 8   ? 1.25657  2.97274   3.85275  1.000 26.92710 ? 141 ALA B O   1 
ATOM   1114 C CB  . ALA B 2 8   ? 2.97895  2.40069   1.03260  1.000 35.83219 ? 141 ALA B CB  1 
ATOM   1115 N N   . THR B 2 9   ? 0.81708  4.41845   2.16370  1.000 30.91316 ? 142 THR B N   1 
ATOM   1116 C CA  . THR B 2 9   ? 0.44840  5.46917   3.10942  1.000 29.73722 ? 142 THR B CA  1 
ATOM   1117 C C   . THR B 2 9   ? -0.85307 5.14892   3.80454  1.000 29.44167 ? 142 THR B C   1 
ATOM   1118 O O   . THR B 2 9   ? -1.00852 5.48180   4.98093  1.000 28.04482 ? 142 THR B O   1 
ATOM   1119 C CB  . THR B 2 9   ? 0.35270  6.84304   2.41537  1.000 30.53683 ? 142 THR B CB  1 
ATOM   1120 O OG1 . THR B 2 9   ? -0.70152 6.82124   1.44278  1.000 32.91105 ? 142 THR B OG1 1 
ATOM   1121 C CG2 . THR B 2 9   ? 1.64538  7.14787   1.73994  1.000 30.12027 ? 142 THR B CG2 1 
ATOM   1122 N N   . GLN B 2 10  ? -1.80074 4.49348   3.11483  1.000 30.32943 ? 143 GLN B N   1 
ATOM   1123 C CA  . GLN B 2 10  ? -3.06977 4.20233   3.78464  1.000 32.30062 ? 143 GLN B CA  1 
ATOM   1124 C C   . GLN B 2 10  ? -2.87518 3.16010   4.87919  1.000 28.89753 ? 143 GLN B C   1 
ATOM   1125 O O   . GLN B 2 10  ? -3.48623 3.25194   5.93768  1.000 27.42411 ? 143 GLN B O   1 
ATOM   1126 C CB  . GLN B 2 10  ? -4.12076 3.69604   2.79243  1.000 36.76883 ? 143 GLN B CB  1 
ATOM   1127 C CG  . GLN B 2 10  ? -5.54543 3.40705   3.38621  1.000 46.26175 ? 143 GLN B CG  1 
ATOM   1128 C CD  . GLN B 2 10  ? -6.32549 4.60444   3.97719  1.000 52.20882 ? 143 GLN B CD  1 
ATOM   1129 O OE1 . GLN B 2 10  ? -6.49040 4.73174   5.20268  1.000 51.21666 ? 143 GLN B OE1 1 
ATOM   1130 N NE2 . GLN B 2 10  ? -6.88446 5.42800   3.09775  1.000 49.32773 ? 143 GLN B NE2 1 
ATOM   1131 N N   . ARG B 2 11  ? -2.04515 2.15723   4.61618  1.000 27.17276 ? 144 ARG B N   1 
ATOM   1132 C CA  . ARG B 2 11  ? -1.73622 1.16097   5.63026  1.000 25.31318 ? 144 ARG B CA  1 
ATOM   1133 C C   . ARG B 2 11  ? -1.07625 1.81562   6.83468  1.000 25.54455 ? 144 ARG B C   1 
ATOM   1134 O O   . ARG B 2 11  ? -1.44360 1.54909   7.96837  1.000 23.27838 ? 144 ARG B O   1 
ATOM   1135 C CB  . ARG B 2 11  ? -0.82665 0.10265   5.05525  1.000 26.07886 ? 144 ARG B CB  1 
ATOM   1136 C CG  . ARG B 2 11  ? -1.62467 -0.92288  4.20693  1.000 28.29024 ? 144 ARG B CG  1 
ATOM   1137 C CD  . ARG B 2 11  ? -1.73499 -2.26017  4.86858  1.000 30.07439 ? 144 ARG B CD  1 
ATOM   1138 N NE  . ARG B 2 11  ? -2.48869 -3.20113  4.04831  1.000 31.52702 ? 144 ARG B NE  1 
ATOM   1139 C CZ  . ARG B 2 11  ? -3.81788 -3.30127  4.04060  1.000 33.04511 ? 144 ARG B CZ  1 
ATOM   1140 N NH1 . ARG B 2 11  ? -4.58355 -2.55171  4.82426  1.000 30.91434 ? 144 ARG B NH1 1 
ATOM   1141 N NH2 . ARG B 2 11  ? -4.39766 -4.19256  3.23589  1.000 34.44808 ? 144 ARG B NH2 1 
ATOM   1142 N N   . LEU B 2 12  ? -0.07473 2.64895   6.60000  1.000 19.83095 ? 145 LEU B N   1 
ATOM   1143 C CA  . LEU B 2 12  ? 0.63809  3.24432   7.73469  1.000 21.67895 ? 145 LEU B CA  1 
ATOM   1144 C C   . LEU B 2 12  ? -0.27464 4.21102   8.49479  1.000 22.31703 ? 145 LEU B C   1 
ATOM   1145 O O   . LEU B 2 12  ? -0.31060 4.21875   9.73401  1.000 21.02347 ? 145 LEU B O   1 
ATOM   1146 C CB  . LEU B 2 12  ? 1.91449  3.93240   7.23741  1.000 19.02012 ? 145 LEU B CB  1 
ATOM   1147 C CG  . LEU B 2 12  ? 2.63763  4.62871   8.40341  1.000 21.86160 ? 145 LEU B CG  1 
ATOM   1148 C CD1 . LEU B 2 12  ? 3.00414  3.61654   9.51663  1.000 19.68368 ? 145 LEU B CD1 1 
ATOM   1149 C CD2 . LEU B 2 12  ? 3.85301  5.38629   7.94384  1.000 19.35928 ? 145 LEU B CD2 1 
ATOM   1150 N N   . ALA B 2 13  ? -1.10098 4.99430   7.78210  1.000 19.80588 ? 146 ALA B N   1 
ATOM   1151 C CA  . ALA B 2 13  ? -2.04234 5.86157   8.50853  1.000 22.04519 ? 146 ALA B CA  1 
ATOM   1152 C C   . ALA B 2 13  ? -3.01036 5.06253   9.37425  1.000 24.73222 ? 146 ALA B C   1 
ATOM   1153 O O   . ALA B 2 13  ? -3.30334 5.43676   10.51355 1.000 24.57772 ? 146 ALA B O   1 
ATOM   1154 C CB  . ALA B 2 13  ? -2.84250 6.71719   7.50673  1.000 26.03044 ? 146 ALA B CB  1 
ATOM   1155 N N   . ASN B 2 14  ? -3.57641 4.00051   8.82964  1.000 24.39277 ? 147 ASN B N   1 
ATOM   1156 C CA  . ASN B 2 14  ? -4.45814 3.14722   9.62398  1.000 26.58908 ? 147 ASN B CA  1 
ATOM   1157 C C   . ASN B 2 14  ? -3.75649 2.64313   10.88105 1.000 26.59162 ? 147 ASN B C   1 
ATOM   1158 O O   . ASN B 2 14  ? -4.33671 2.62446   11.97739 1.000 26.50089 ? 147 ASN B O   1 
ATOM   1159 C CB  . ASN B 2 14  ? -4.88757 1.94774   8.78319  1.000 27.57513 ? 147 ASN B CB  1 
ATOM   1160 C CG  . ASN B 2 14  ? -6.01670 2.29051   7.83884  1.000 34.22519 ? 147 ASN B CG  1 
ATOM   1161 O OD1 . ASN B 2 14  ? -6.66828 3.32055   7.98373  1.000 38.41175 ? 147 ASN B OD1 1 
ATOM   1162 N ND2 . ASN B 2 14  ? -6.25901 1.42167   6.88491  1.000 34.07504 ? 147 ASN B ND2 1 
ATOM   1163 N N   . PHE B 2 15  ? -2.49907 2.24557   10.72501 1.000 23.36162 ? 148 PHE B N   1 
ATOM   1164 C CA  . PHE B 2 15  ? -1.72091 1.74756   11.84545 1.000 24.85936 ? 148 PHE B CA  1 
ATOM   1165 C C   . PHE B 2 15  ? -1.56285 2.83403   12.89370 1.000 25.07846 ? 148 PHE B C   1 
ATOM   1166 O O   . PHE B 2 15  ? -1.76257 2.58564   14.07223 1.000 25.26887 ? 148 PHE B O   1 
ATOM   1167 C CB  . PHE B 2 15  ? -0.35112 1.25062   11.37542 1.000 23.33671 ? 148 PHE B CB  1 
ATOM   1168 C CG  . PHE B 2 15  ? 0.58506  0.98015   12.50423 1.000 23.82720 ? 148 PHE B CG  1 
ATOM   1169 C CD1 . PHE B 2 15  ? 0.40167  -0.15619  13.31037 1.000 23.32040 ? 148 PHE B CD1 1 
ATOM   1170 C CD2 . PHE B 2 15  ? 1.59292  1.89994   12.85158 1.000 21.10050 ? 148 PHE B CD2 1 
ATOM   1171 C CE1 . PHE B 2 15  ? 1.25278  -0.41704  14.38965 1.000 24.23358 ? 148 PHE B CE1 1 
ATOM   1172 C CE2 . PHE B 2 15  ? 2.44005  1.64073   13.94773 1.000 21.15503 ? 148 PHE B CE2 1 
ATOM   1173 C CZ  . PHE B 2 15  ? 2.26126  0.48769   14.72005 1.000 23.69369 ? 148 PHE B CZ  1 
ATOM   1174 N N   . LEU B 2 16  ? -1.21047 4.06115   12.47653 1.000 20.42291 ? 149 LEU B N   1 
ATOM   1175 C CA  . LEU B 2 16  ? -1.01529 5.13044   13.46366 1.000 24.57637 ? 149 LEU B CA  1 
ATOM   1176 C C   . LEU B 2 16  ? -2.32689 5.43561   14.22121 1.000 27.35565 ? 149 LEU B C   1 
ATOM   1177 O O   . LEU B 2 16  ? -2.32863 5.64669   15.45028 1.000 26.39309 ? 149 LEU B O   1 
ATOM   1178 C CB  . LEU B 2 16  ? -0.46277 6.37532   12.73279 1.000 19.92893 ? 149 LEU B CB  1 
ATOM   1179 C CG  . LEU B 2 16  ? 0.91217  6.15122   12.06975 1.000 19.62087 ? 149 LEU B CG  1 
ATOM   1180 C CD1 . LEU B 2 16  ? 1.34805  7.46076   11.41468 1.000 20.93449 ? 149 LEU B CD1 1 
ATOM   1181 C CD2 . LEU B 2 16  ? 2.00485  5.71232   13.07050 1.000 21.06012 ? 149 LEU B CD2 1 
ATOM   1182 N N   . VAL B 2 17  ? -3.46451 5.43536   13.50746 1.000 22.84414 ? 150 VAL B N   1 
ATOM   1183 C CA  . VAL B 2 17  ? -4.75981 5.64739   14.16376 1.000 28.34801 ? 150 VAL B CA  1 
ATOM   1184 C C   . VAL B 2 17  ? -5.11200 4.44912   15.06571 1.000 31.87088 ? 150 VAL B C   1 
ATOM   1185 O O   . VAL B 2 17  ? -5.61798 4.60814   16.18724 1.000 35.71200 ? 150 VAL B O   1 
ATOM   1186 C CB  . VAL B 2 17  ? -5.85703 5.91732   13.09775 1.000 29.61715 ? 150 VAL B CB  1 
ATOM   1187 C CG1 . VAL B 2 17  ? -7.24215 6.03812   13.79502 1.000 32.81543 ? 150 VAL B CG1 1 
ATOM   1188 C CG2 . VAL B 2 17  ? -5.55904 7.15429   12.26554 1.000 29.71107 ? 150 VAL B CG2 1 
ATOM   1189 N N   . HIS B 2 18  ? -4.82351 3.23552   14.60831 1.000 31.46624 ? 151 HIS B N   1 
ATOM   1190 C CA  . HIS B 2 18  ? -5.04105 2.04408   15.42539 1.000 35.89919 ? 151 HIS B CA  1 
ATOM   1191 C C   . HIS B 2 18  ? -4.18988 2.07521   16.69500 1.000 38.93692 ? 151 HIS B C   1 
ATOM   1192 O O   . HIS B 2 18  ? -4.67316 1.77648   17.79172 1.000 40.74432 ? 151 HIS B O   1 
ATOM   1193 C CB  . HIS B 2 18  ? -4.73142 0.81827   14.56481 1.000 37.25791 ? 151 HIS B CB  1 
ATOM   1194 C CG  . HIS B 2 18  ? -4.30675 -0.41083  15.32394 1.000 45.55605 ? 151 HIS B CG  1 
ATOM   1195 N ND1 . HIS B 2 18  ? -3.00319 -0.62448  15.73974 1.000 44.00473 ? 151 HIS B ND1 1 
ATOM   1196 C CD2 . HIS B 2 18  ? -4.99056 -1.53485  15.65273 1.000 48.63548 ? 151 HIS B CD2 1 
ATOM   1197 C CE1 . HIS B 2 18  ? -2.91264 -1.81409  16.31084 1.000 44.55712 ? 151 HIS B CE1 1 
ATOM   1198 N NE2 . HIS B 2 18  ? -4.10718 -2.38137  16.28108 1.000 48.45075 ? 151 HIS B NE2 1 
ATOM   1199 N N   . SER B 2 19  ? -2.90119 2.41224   16.56124 1.000 34.19372 ? 152 SER B N   1 
ATOM   1200 C CA  . SER B 2 19  ? -2.02314 2.50033   17.73165 1.000 32.96430 ? 152 SER B CA  1 
ATOM   1201 C C   . SER B 2 19  ? -2.54955 3.49340   18.76691 1.000 37.28313 ? 152 SER B C   1 
ATOM   1202 O O   . SER B 2 19  ? -2.48054 3.25008   19.98563 1.000 40.41716 ? 152 SER B O   1 
ATOM   1203 C CB  . SER B 2 19  ? -0.64446 2.93566   17.25458 1.000 30.61850 ? 152 SER B CB  1 
ATOM   1204 O OG  . SER B 2 19  ? -0.10383 1.91164   16.43777 1.000 26.69464 ? 152 SER B OG  1 
ATOM   1205 N N   . SER B 2 20  ? -3.01268 4.65476   18.31026 1.000 33.97210 ? 153 SER B N   1 
ATOM   1206 C CA  . SER B 2 20  ? -3.63768 5.59734   19.22450 1.000 39.53274 ? 153 SER B CA  1 
ATOM   1207 C C   . SER B 2 20  ? -4.89848 4.98321   19.84766 1.000 40.56424 ? 153 SER B C   1 
ATOM   1208 O O   . SER B 2 20  ? -5.03748 4.93929   21.07844 1.000 44.07951 ? 153 SER B O   1 
ATOM   1209 C CB  . SER B 2 20  ? -3.92083 6.91381   18.48510 1.000 37.45324 ? 153 SER B CB  1 
ATOM   1210 O OG  . SER B 2 20  ? -4.81770 7.75102   19.19410 1.000 42.20540 ? 153 SER B OG  1 
ATOM   1211 N N   . ASN B 2 21  ? -5.77908 4.39770   19.02962 1.000 40.47540 ? 154 ASN B N   1 
ATOM   1212 C CA  . ASN B 2 21  ? -7.07499 3.91984   19.55670 1.000 46.74014 ? 154 ASN B CA  1 
ATOM   1213 C C   . ASN B 2 21  ? -7.10873 2.56000   20.25604 1.000 53.00575 ? 154 ASN B C   1 
ATOM   1214 O O   . ASN B 2 21  ? -7.00105 2.48688   21.49442 1.000 50.78177 ? 154 ASN B O   1 
ATOM   1215 C CB  . ASN B 2 21  ? -8.11148 3.88095   18.44154 1.000 44.53058 ? 154 ASN B CB  1 
ATOM   1216 C CG  . ASN B 2 21  ? -8.47125 5.25745   17.98542 1.000 41.93073 ? 154 ASN B CG  1 
ATOM   1217 O OD1 . ASN B 2 21  ? -8.14239 6.24085   18.66681 1.000 43.72478 ? 154 ASN B OD1 1 
ATOM   1218 N ND2 . ASN B 2 21  ? -9.06921 5.36021   16.82186 1.000 41.64881 ? 154 ASN B ND2 1 
ATOM   1219 N N   . ASN B 2 22  ? -7.35428 1.49639   19.47412 1.000 63.92477 ? 155 ASN B N   1 
ATOM   1220 C CA  . ASN B 2 22  ? -7.48595 0.14137   20.01556 1.000 60.00778 ? 155 ASN B CA  1 
ATOM   1221 C C   . ASN B 2 22  ? -6.12368 -0.36708  20.43776 1.000 58.97737 ? 155 ASN B C   1 
ATOM   1222 O O   . ASN B 2 22  ? -5.25278 -0.65033  19.60612 1.000 60.03044 ? 155 ASN B O   1 
ATOM   1223 C CB  . ASN B 2 22  ? -8.15573 -0.82189  19.03344 1.000 61.43568 ? 155 ASN B CB  1 
ATOM   1224 C CG  . ASN B 2 22  ? -7.29786 -1.16789  17.84115 1.000 62.97193 ? 155 ASN B CG  1 
ATOM   1225 O OD1 . ASN B 2 22  ? -6.55014 -2.14816  17.86185 1.000 74.13935 ? 155 ASN B OD1 1 
ATOM   1226 N ND2 . ASN B 2 22  ? -7.44626 -0.40244  16.76763 1.000 64.41573 ? 155 ASN B ND2 1 
ATOM   1227 N N   . PHE B 2 23  ? -5.94742 -0.44936  21.74697 1.000 58.64307 ? 156 PHE B N   1 
ATOM   1228 C CA  . PHE B 2 23  ? -4.70829 -0.86755  22.36599 1.000 58.46764 ? 156 PHE B CA  1 
ATOM   1229 C C   . PHE B 2 23  ? -3.68208 0.18392   21.99569 1.000 56.10123 ? 156 PHE B C   1 
ATOM   1230 O O   . PHE B 2 23  ? -4.00662 1.14487   21.29583 1.000 51.02173 ? 156 PHE B O   1 
ATOM   1231 C CB  . PHE B 2 23  ? -4.30503 -2.27830  21.91745 1.000 65.23731 ? 156 PHE B CB  1 
ATOM   1232 C CG  . PHE B 2 23  ? -4.66654 -3.36048  22.91401 1.000 74.39790 ? 156 PHE B CG  1 
ATOM   1233 C CD1 . PHE B 2 23  ? -4.06734 -3.40773  24.17379 1.000 68.61300 ? 156 PHE B CD1 1 
ATOM   1234 C CD2 . PHE B 2 23  ? -5.61365 -4.33431  22.58987 1.000 72.71268 ? 156 PHE B CD2 1 
ATOM   1235 C CE1 . PHE B 2 23  ? -4.41244 -4.40904  25.10163 1.000 63.57543 ? 156 PHE B CE1 1 
ATOM   1236 C CE2 . PHE B 2 23  ? -5.95578 -5.33592  23.50598 1.000 67.56689 ? 156 PHE B CE2 1 
ATOM   1237 C CZ  . PHE B 2 23  ? -5.35282 -5.36710  24.76763 1.000 62.82307 ? 156 PHE B CZ  1 
ATOM   1238 N N   . GLY B 2 24  ? -2.45071 0.01467   22.45700 1.000 58.01135 ? 157 GLY B N   1 
ATOM   1239 C CA  . GLY B 2 24  ? -1.47658 1.06863   22.34069 1.000 51.03020 ? 157 GLY B CA  1 
ATOM   1240 C C   . GLY B 2 24  ? -1.86854 2.24938   23.19156 1.000 49.35585 ? 157 GLY B C   1 
ATOM   1241 O O   . GLY B 2 24  ? -1.09896 2.65442   24.06080 1.000 52.71028 ? 157 GLY B O   1 
ATOM   1242 N N   . ALA B 2 25  ? -3.05793 2.80965   22.96554 1.000 47.44138 ? 158 ALA B N   1 
ATOM   1243 C CA  . ALA B 2 25  ? -3.42455 4.06785   23.60467 1.000 48.80747 ? 158 ALA B CA  1 
ATOM   1244 C C   . ALA B 2 25  ? -2.32855 5.12526   23.45375 1.000 49.27087 ? 158 ALA B C   1 
ATOM   1245 O O   . ALA B 2 25  ? -2.13889 5.96752   24.32744 1.000 51.90810 ? 158 ALA B O   1 
ATOM   1246 C CB  . ALA B 2 25  ? -3.75064 3.86386   25.08363 1.000 49.91919 ? 158 ALA B CB  1 
ATOM   1247 N N   . ILE B 2 26  ? -1.58434 5.12002   22.35077 1.000 46.58506 ? 159 ILE B N   1 
ATOM   1248 C CA  . ILE B 2 26  ? -0.54475 6.14256   22.25472 1.000 47.95188 ? 159 ILE B CA  1 
ATOM   1249 C C   . ILE B 2 26  ? -1.16865 7.41649   21.67645 1.000 42.22859 ? 159 ILE B C   1 
ATOM   1250 O O   . ILE B 2 26  ? -2.35854 7.43556   21.35459 1.000 43.85872 ? 159 ILE B O   1 
ATOM   1251 C CB  . ILE B 2 26  ? 0.65336  5.65524   21.42253 1.000 50.28761 ? 159 ILE B CB  1 
ATOM   1252 C CG1 . ILE B 2 26  ? 0.20817  4.69307   20.32223 1.000 50.35596 ? 159 ILE B CG1 1 
ATOM   1253 C CG2 . ILE B 2 26  ? 1.71298  5.00155   22.37479 1.000 48.58201 ? 159 ILE B CG2 1 
ATOM   1254 C CD1 . ILE B 2 26  ? 0.68403  3.21901   20.52033 1.000 58.58892 ? 159 ILE B CD1 1 
ATOM   1255 N N   . LEU B 2 27  ? -0.37170 8.47230   21.49959 1.000 38.67145 ? 160 LEU B N   1 
ATOM   1256 C CA  . LEU B 2 27  ? -0.86811 9.83972   21.30641 1.000 36.34143 ? 160 LEU B CA  1 
ATOM   1257 C C   . LEU B 2 27  ? -0.72262 10.30970  19.85472 1.000 33.40205 ? 160 LEU B C   1 
ATOM   1258 O O   . LEU B 2 27  ? 0.38548  10.31388  19.31593 1.000 29.07827 ? 160 LEU B O   1 
ATOM   1259 C CB  . LEU B 2 27  ? -0.09595 10.76738  22.23598 1.000 33.88475 ? 160 LEU B CB  1 
ATOM   1260 C CG  . LEU B 2 27  ? -0.06493 12.22117  21.82592 1.000 35.31195 ? 160 LEU B CG  1 
ATOM   1261 C CD1 . LEU B 2 27  ? -1.40116 12.85441  22.17207 1.000 38.11581 ? 160 LEU B CD1 1 
ATOM   1262 C CD2 . LEU B 2 27  ? 1.13429  12.91018  22.47884 1.000 38.74454 ? 160 LEU B CD2 1 
ATOM   1263 N N   . SER B 2 28  ? -1.82905 10.74517  19.24219 1.000 35.10799 ? 161 SER B N   1 
ATOM   1264 C CA  . SER B 2 28  ? -1.89850 11.05473  17.81279 1.000 32.69037 ? 161 SER B CA  1 
ATOM   1265 C C   . SER B 2 28  ? -2.22244 12.52682  17.61576 1.000 33.40325 ? 161 SER B C   1 
ATOM   1266 O O   . SER B 2 28  ? -2.92596 13.11982  18.42702 1.000 31.28039 ? 161 SER B O   1 
ATOM   1267 C CB  . SER B 2 28  ? -2.95913 10.20550  17.10911 1.000 35.77345 ? 161 SER B CB  1 
ATOM   1268 O OG  . SER B 2 28  ? -3.12546 10.55977  15.71640 1.000 39.19551 ? 161 SER B OG  1 
ATOM   1269 N N   . SER B 2 29  ? -1.63986 13.12436  16.57097 1.000 27.74961 ? 162 SER B N   1 
ATOM   1270 C CA  . SER B 2 29  ? -1.97540 14.46349  16.11090 1.000 31.42267 ? 162 SER B CA  1 
ATOM   1271 C C   . SER B 2 29  ? -2.16012 14.41442  14.60412 1.000 32.81415 ? 162 SER B C   1 
ATOM   1272 O O   . SER B 2 29  ? -1.53798 13.60072  13.89781 1.000 29.26585 ? 162 SER B O   1 
ATOM   1273 C CB  . SER B 2 29  ? -0.87154 15.48573  16.44659 1.000 33.38426 ? 162 SER B CB  1 
ATOM   1274 O OG  . SER B 2 29  ? 0.10667  15.45027  15.41671 1.000 33.70321 ? 162 SER B OG  1 
ATOM   1275 N N   . THR B 2 30  ? -2.95864 15.33086  14.08570 1.000 34.91758 ? 163 THR B N   1 
ATOM   1276 C CA  . THR B 2 30  ? -3.14871 15.31171  12.64434 1.000 37.46967 ? 163 THR B CA  1 
ATOM   1277 C C   . THR B 2 30  ? -3.37108 16.72048  12.12115 1.000 38.97162 ? 163 THR B C   1 
ATOM   1278 O O   . THR B 2 30  ? -3.80926 17.60022  12.86367 1.000 33.10160 ? 163 THR B O   1 
ATOM   1279 C CB  . THR B 2 30  ? -4.30931 14.40025  12.27694 1.000 41.29457 ? 163 THR B CB  1 
ATOM   1280 O OG1 . THR B 2 30  ? -4.10176 13.90288  10.95247 1.000 52.18974 ? 163 THR B OG1 1 
ATOM   1281 C CG2 . THR B 2 30  ? -5.60863 15.13150  12.35915 1.000 43.13615 ? 163 THR B CG2 1 
ATOM   1282 N N   . ASN B 2 31  ? -3.02433 16.90296  10.83545 1.000 36.92670 ? 164 ASN B N   1 
ATOM   1283 C CA  . ASN B 2 31  ? -3.11714 18.14447  10.03223 1.000 44.78994 ? 164 ASN B CA  1 
ATOM   1284 C C   . ASN B 2 31  ? -1.91485 19.06948  10.21581 1.000 43.67199 ? 164 ASN B C   1 
ATOM   1285 O O   . ASN B 2 31  ? -0.99989 19.09653  9.37386  1.000 38.99153 ? 164 ASN B O   1 
ATOM   1286 C CB  . ASN B 2 31  ? -4.39050 18.90714  10.34333 1.000 46.52284 ? 164 ASN B CB  1 
ATOM   1287 C CG  . ASN B 2 31  ? -5.57352 18.33389  9.65791  1.000 49.04724 ? 164 ASN B CG  1 
ATOM   1288 O OD1 . ASN B 2 31  ? -6.22848 17.43641  10.19018 1.000 53.25080 ? 164 ASN B OD1 1 
ATOM   1289 N ND2 . ASN B 2 31  ? -5.90460 18.87589  8.49376  1.000 51.80251 ? 164 ASN B ND2 1 
HETATM 1290 O O   . HOH C 3 .   ? 4.13587  -4.34249  -1.34009 1.000 49.76387 ? 201 HOH A O   1 
HETATM 1291 O O   . HOH C 3 .   ? 16.55353 10.48524  35.93096 1.000 40.46494 ? 202 HOH A O   1 
HETATM 1292 O O   . HOH C 3 .   ? 13.32039 13.71164  11.53214 1.000 31.77241 ? 203 HOH A O   1 
HETATM 1293 O O   . HOH C 3 .   ? -5.59876 8.38653   -1.57894 1.000 45.36348 ? 204 HOH A O   1 
HETATM 1294 O O   . HOH C 3 .   ? 23.05316 3.15949   7.41828  1.000 55.82747 ? 205 HOH A O   1 
HETATM 1295 O O   . HOH C 3 .   ? 9.03090  23.10581  24.63107 1.000 38.81877 ? 206 HOH A O   1 
HETATM 1296 O O   . HOH C 3 .   ? 9.46018  10.88306  3.37638  1.000 37.63748 ? 207 HOH A O   1 
HETATM 1297 O O   . HOH C 3 .   ? 10.48577 -9.27130  17.83888 1.000 54.80513 ? 208 HOH A O   1 
HETATM 1298 O O   . HOH C 3 .   ? 11.12402 8.99747   15.84110 1.000 21.95441 ? 209 HOH A O   1 
HETATM 1299 O O   . HOH C 3 .   ? 2.16488  15.47396  32.47234 1.000 43.60425 ? 210 HOH A O   1 
HETATM 1300 O O   . HOH C 3 .   ? 16.69583 12.93597  18.94431 1.000 30.27496 ? 211 HOH A O   1 
HETATM 1301 O O   . HOH C 3 .   ? 25.32048 5.68054   23.23489 1.000 35.75066 ? 212 HOH A O   1 
HETATM 1302 O O   . HOH C 3 .   ? 17.11014 8.03744   36.73833 1.000 41.89362 ? 213 HOH A O   1 
HETATM 1303 O O   . HOH C 3 .   ? 19.30475 14.79330  16.30194 1.000 43.68001 ? 214 HOH A O   1 
HETATM 1304 O O   . HOH C 3 .   ? -3.55420 -12.70313 9.70637  1.000 54.08017 ? 215 HOH A O   1 
HETATM 1305 O O   . HOH C 3 .   ? 3.28545  13.20995  0.45590  1.000 41.35053 ? 216 HOH A O   1 
HETATM 1306 O O   . HOH C 3 .   ? 0.03331  -4.47755  3.12968  1.000 34.92419 ? 217 HOH A O   1 
HETATM 1307 O O   . HOH C 3 .   ? 3.19866  24.99124  9.99072  1.000 30.53896 ? 218 HOH A O   1 
HETATM 1308 O O   . HOH C 3 .   ? 17.32055 11.96742  9.94523  1.000 34.83261 ? 219 HOH A O   1 
HETATM 1309 O O   . HOH C 3 .   ? 10.21053 11.13123  19.47079 1.000 21.31359 ? 220 HOH A O   1 
HETATM 1310 O O   . HOH C 3 .   ? 26.33833 10.27407  38.13379 1.000 57.46121 ? 221 HOH A O   1 
HETATM 1311 O O   . HOH C 3 .   ? 1.87674  10.87085  0.60928  1.000 36.04152 ? 222 HOH A O   1 
HETATM 1312 O O   . HOH C 3 .   ? 14.71501 9.73742   13.25267 1.000 29.70164 ? 223 HOH A O   1 
HETATM 1313 O O   . HOH C 3 .   ? 8.63262  -5.96345  11.11794 1.000 36.56386 ? 224 HOH A O   1 
HETATM 1314 O O   . HOH C 3 .   ? 12.10538 11.60654  8.70809  1.000 29.14726 ? 225 HOH A O   1 
HETATM 1315 O O   . HOH C 3 .   ? 14.82974 18.20654  29.66842 1.000 33.43223 ? 226 HOH A O   1 
HETATM 1316 O O   . HOH C 3 .   ? 15.36755 18.31644  25.68573 1.000 51.30737 ? 227 HOH A O   1 
HETATM 1317 O O   . HOH C 3 .   ? 10.16954 20.64608  24.64404 1.000 32.99857 ? 228 HOH A O   1 
HETATM 1318 O O   . HOH C 3 .   ? 14.76866 6.19660   3.13045  1.000 45.13324 ? 229 HOH A O   1 
HETATM 1319 O O   . HOH C 3 .   ? -6.08486 -1.56756  11.91265 1.000 40.54260 ? 230 HOH A O   1 
HETATM 1320 O O   . HOH C 3 .   ? -6.64232 -7.27134  8.90873  1.000 32.94548 ? 231 HOH A O   1 
HETATM 1321 O O   . HOH C 3 .   ? 3.07470  21.48324  9.55165  1.000 35.15905 ? 232 HOH A O   1 
HETATM 1322 O O   . HOH C 3 .   ? 12.21246 10.05736  37.85237 1.000 50.75682 ? 233 HOH A O   1 
HETATM 1323 O O   . HOH C 3 .   ? -6.30045 9.63410   -3.35081 1.000 41.45233 ? 234 HOH A O   1 
HETATM 1324 O O   . HOH C 3 .   ? 17.666   2.152     32.470   1.000 48.51672 ? 235 HOH A O   1 
HETATM 1325 O O   . HOH C 3 .   ? -4.87489 -4.95757  13.91433 1.000 39.64911 ? 236 HOH A O   1 
HETATM 1326 O O   . HOH C 3 .   ? 19.00772 12.88925  11.13448 1.000 43.81272 ? 237 HOH A O   1 
HETATM 1327 O O   . HOH C 3 .   ? -7.03985 -5.89336  5.70431  1.000 33.75548 ? 238 HOH A O   1 
HETATM 1328 O O   . HOH C 3 .   ? 7.56494  -11.90072 14.63919 1.000 32.08962 ? 239 HOH A O   1 
HETATM 1329 O O   . HOH C 3 .   ? 8.71825  -5.49848  8.88342  1.000 37.05060 ? 240 HOH A O   1 
HETATM 1330 O O   . HOH C 3 .   ? 15.48431 3.45300   3.97239  1.000 35.05921 ? 241 HOH A O   1 
HETATM 1331 O O   . HOH C 3 .   ? 22.73054 13.31212  9.21973  1.000 51.46544 ? 242 HOH A O   1 
HETATM 1332 O O   . HOH C 3 .   ? 21.36660 13.66130  7.49390  1.000 56.73500 ? 243 HOH A O   1 
HETATM 1333 O O   . HOH D 3 .   ? 1.32730  4.81838   -0.82409 1.000 40.40814 ? 201 HOH B O   1 
HETATM 1334 O O   . HOH D 3 .   ? -4.36585 10.65637  20.61210 1.000 39.53768 ? 202 HOH B O   1 
HETATM 1335 O O   . HOH D 3 .   ? -7.829   7.485     21.732   1.000 41.70716 ? 203 HOH B O   1 
# 
