data_9I9N
# 
_entry.id   9I9N 
# 
_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   9I9N         pdb_00009i9n 10.2210/pdb9i9n/pdb 
WWPDB D_1292144963 ?            ?                   
# 
_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       2025-05-07 
_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                        9I9N 
_pdbx_database_status.recvd_initial_deposition_date   2025-02-06 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
loop_
_pdbx_database_related.db_name 
_pdbx_database_related.details 
_pdbx_database_related.db_id 
_pdbx_database_related.content_type 
PDB 'UFC1 Wild type' 2Z6O unspecified 
PDB 'UFC1 T106I'     9GMM unspecified 
PDB 'UFC1 C116E'     9GLN unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              reuvenw@ekmd.huji.ac.il 
_pdbx_contact_author.name_first         Reuven 
_pdbx_contact_author.name_last          Wiener 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-4219-550X 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Manoj Kumar, P.' 1 0000-0002-7083-5690 
'Banerjee, S.'    2 0009-0002-9409-6797 
'Weiner, R.'      3 0000-0002-4219-550X 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   UK 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'Nat Commun' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           2041-1723 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            16 
_citation.language                  ? 
_citation.page_first                3912 
_citation.page_last                 3912 
_citation.title                     
'UFC1 reveals the multifactorial and plastic nature of oxyanion holes in E2 conjugating enzymes.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1038/s41467-025-58826-y 
_citation.pdbx_database_id_PubMed   40280917 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Kumar, M.'       1 ?                   
primary 'Banerjee, S.'    2 ?                   
primary 'Cohen-Kfir, E.'  3 ?                   
primary 'Mitelberg, M.B.' 4 ?                   
primary 'Tiwari, S.'      5 ?                   
primary 'Isupov, M.N.'    6 0000-0001-6842-4289 
primary 'Dessau, M.'      7 0000-0002-1954-3625 
primary 'Wiener, R.'      8 0000-0002-4219-550X 
# 
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 'Ubiquitin-fold modifier-conjugating enzyme 1' 19608.412 1   ? 'C116E, K108A' ? 'UFC1 C116E & K108A' 
2 non-polymer syn GLYCEROL                                       92.094    1   ? ?              ? ?                    
3 non-polymer syn 'SULFATE ION'                                  96.063    1   ? ?              ? ?                    
4 water       nat water                                          18.015    107 ? ?              ? ?                    
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Ufm1-conjugating enzyme 1' 
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;GSMADEATRRVVSEIPVLKTNAGPRDRELWVQRLKEEYQSLIRYVENNKNADNDWFRLESNKEGTRWFGKCWYIHDLLKY
EFDIEFDIPITYPTTAPEIAVPELDGKTAAMYRGGKIELTDHFKPLWARNVPKFGLAHLMALGLGPWLAVEIPDLIQKGV
IHHKEKCNQ
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GSMADEATRRVVSEIPVLKTNAGPRDRELWVQRLKEEYQSLIRYVENNKNADNDWFRLESNKEGTRWFGKCWYIHDLLKY
EFDIEFDIPITYPTTAPEIAVPELDGKTAAMYRGGKIELTDHFKPLWARNVPKFGLAHLMALGLGPWLAVEIPDLIQKGV
IHHKEKCNQ
;
_entity_poly.pdbx_strand_id                 AAA 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 GLYCEROL      GOL 
3 'SULFATE ION' SO4 
4 water         HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   SER n 
1 3   MET n 
1 4   ALA n 
1 5   ASP n 
1 6   GLU n 
1 7   ALA n 
1 8   THR n 
1 9   ARG n 
1 10  ARG n 
1 11  VAL n 
1 12  VAL n 
1 13  SER n 
1 14  GLU n 
1 15  ILE n 
1 16  PRO n 
1 17  VAL n 
1 18  LEU n 
1 19  LYS n 
1 20  THR n 
1 21  ASN n 
1 22  ALA n 
1 23  GLY n 
1 24  PRO n 
1 25  ARG n 
1 26  ASP n 
1 27  ARG n 
1 28  GLU n 
1 29  LEU n 
1 30  TRP n 
1 31  VAL n 
1 32  GLN n 
1 33  ARG n 
1 34  LEU n 
1 35  LYS n 
1 36  GLU n 
1 37  GLU n 
1 38  TYR n 
1 39  GLN n 
1 40  SER n 
1 41  LEU n 
1 42  ILE n 
1 43  ARG n 
1 44  TYR n 
1 45  VAL n 
1 46  GLU n 
1 47  ASN n 
1 48  ASN n 
1 49  LYS n 
1 50  ASN n 
1 51  ALA n 
1 52  ASP n 
1 53  ASN n 
1 54  ASP n 
1 55  TRP n 
1 56  PHE n 
1 57  ARG n 
1 58  LEU n 
1 59  GLU n 
1 60  SER n 
1 61  ASN n 
1 62  LYS n 
1 63  GLU n 
1 64  GLY n 
1 65  THR n 
1 66  ARG n 
1 67  TRP n 
1 68  PHE n 
1 69  GLY n 
1 70  LYS n 
1 71  CYS n 
1 72  TRP n 
1 73  TYR n 
1 74  ILE n 
1 75  HIS n 
1 76  ASP n 
1 77  LEU n 
1 78  LEU n 
1 79  LYS n 
1 80  TYR n 
1 81  GLU n 
1 82  PHE n 
1 83  ASP n 
1 84  ILE n 
1 85  GLU n 
1 86  PHE n 
1 87  ASP n 
1 88  ILE n 
1 89  PRO n 
1 90  ILE n 
1 91  THR n 
1 92  TYR n 
1 93  PRO n 
1 94  THR n 
1 95  THR n 
1 96  ALA n 
1 97  PRO n 
1 98  GLU n 
1 99  ILE n 
1 100 ALA n 
1 101 VAL n 
1 102 PRO n 
1 103 GLU n 
1 104 LEU n 
1 105 ASP n 
1 106 GLY n 
1 107 LYS n 
1 108 THR n 
1 109 ALA n 
1 110 ALA n 
1 111 MET n 
1 112 TYR n 
1 113 ARG n 
1 114 GLY n 
1 115 GLY n 
1 116 LYS n 
1 117 ILE n 
1 118 GLU n 
1 119 LEU n 
1 120 THR n 
1 121 ASP n 
1 122 HIS n 
1 123 PHE n 
1 124 LYS n 
1 125 PRO n 
1 126 LEU n 
1 127 TRP n 
1 128 ALA n 
1 129 ARG n 
1 130 ASN n 
1 131 VAL n 
1 132 PRO n 
1 133 LYS n 
1 134 PHE n 
1 135 GLY n 
1 136 LEU n 
1 137 ALA n 
1 138 HIS n 
1 139 LEU n 
1 140 MET n 
1 141 ALA n 
1 142 LEU n 
1 143 GLY n 
1 144 LEU n 
1 145 GLY n 
1 146 PRO n 
1 147 TRP n 
1 148 LEU n 
1 149 ALA n 
1 150 VAL n 
1 151 GLU n 
1 152 ILE n 
1 153 PRO n 
1 154 ASP n 
1 155 LEU n 
1 156 ILE n 
1 157 GLN n 
1 158 LYS n 
1 159 GLY n 
1 160 VAL n 
1 161 ILE n 
1 162 HIS n 
1 163 HIS n 
1 164 LYS n 
1 165 GLU n 
1 166 LYS n 
1 167 CYS n 
1 168 ASN n 
1 169 GLN 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                   169 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'UFC1, CGI-126, HSPC155' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_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               T7-Express 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE         ?                               'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE        ?                               'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE      ?                               'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID' ?                               'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE        ?                               'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE       ?                               'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID' ?                               'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE         ?                               'C2 H5 N O2'     75.067  
GOL non-polymer         . GLYCEROL        'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'       92.094  
HIS 'L-peptide linking' y HISTIDINE       ?                               'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER           ?                               'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE      ?                               'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE         ?                               'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE          ?                               'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE      ?                               'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE   ?                               'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE         ?                               'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE          ?                               'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'   ?                               'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE       ?                               'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN      ?                               'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE        ?                               'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE          ?                               'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   GLY 1   -1  ?   ?   ?   AAA . n 
A 1 2   SER 2   0   0   SER SER AAA . n 
A 1 3   MET 3   1   1   MET MET AAA . n 
A 1 4   ALA 4   2   2   ALA ALA AAA . n 
A 1 5   ASP 5   3   3   ASP ASP AAA . n 
A 1 6   GLU 6   4   4   GLU GLU AAA . n 
A 1 7   ALA 7   5   5   ALA ALA AAA . n 
A 1 8   THR 8   6   6   THR THR AAA . n 
A 1 9   ARG 9   7   7   ARG ARG AAA . n 
A 1 10  ARG 10  8   8   ARG ARG AAA . n 
A 1 11  VAL 11  9   9   VAL VAL AAA . n 
A 1 12  VAL 12  10  10  VAL VAL AAA . n 
A 1 13  SER 13  11  11  SER SER AAA . n 
A 1 14  GLU 14  12  12  GLU GLU AAA . n 
A 1 15  ILE 15  13  13  ILE ILE AAA . n 
A 1 16  PRO 16  14  14  PRO PRO AAA . n 
A 1 17  VAL 17  15  15  VAL VAL AAA . n 
A 1 18  LEU 18  16  16  LEU LEU AAA . n 
A 1 19  LYS 19  17  17  LYS LYS AAA . n 
A 1 20  THR 20  18  18  THR THR AAA . n 
A 1 21  ASN 21  19  19  ASN ASN AAA . n 
A 1 22  ALA 22  20  20  ALA ALA AAA . n 
A 1 23  GLY 23  21  21  GLY GLY AAA . n 
A 1 24  PRO 24  22  22  PRO PRO AAA . n 
A 1 25  ARG 25  23  23  ARG ARG AAA . n 
A 1 26  ASP 26  24  24  ASP ASP AAA . n 
A 1 27  ARG 27  25  25  ARG ARG AAA . n 
A 1 28  GLU 28  26  26  GLU GLU AAA . n 
A 1 29  LEU 29  27  27  LEU LEU AAA . n 
A 1 30  TRP 30  28  28  TRP TRP AAA . n 
A 1 31  VAL 31  29  29  VAL VAL AAA . n 
A 1 32  GLN 32  30  30  GLN GLN AAA . n 
A 1 33  ARG 33  31  31  ARG ARG AAA . n 
A 1 34  LEU 34  32  32  LEU LEU AAA . n 
A 1 35  LYS 35  33  33  LYS LYS AAA . n 
A 1 36  GLU 36  34  34  GLU GLU AAA . n 
A 1 37  GLU 37  35  35  GLU GLU AAA . n 
A 1 38  TYR 38  36  36  TYR TYR AAA . n 
A 1 39  GLN 39  37  37  GLN GLN AAA . n 
A 1 40  SER 40  38  38  SER SER AAA . n 
A 1 41  LEU 41  39  39  LEU LEU AAA . n 
A 1 42  ILE 42  40  40  ILE ILE AAA . n 
A 1 43  ARG 43  41  41  ARG ARG AAA . n 
A 1 44  TYR 44  42  42  TYR TYR AAA . n 
A 1 45  VAL 45  43  43  VAL VAL AAA . n 
A 1 46  GLU 46  44  44  GLU GLU AAA . n 
A 1 47  ASN 47  45  45  ASN ASN AAA . n 
A 1 48  ASN 48  46  46  ASN ASN AAA . n 
A 1 49  LYS 49  47  47  LYS LYS AAA . n 
A 1 50  ASN 50  48  48  ASN ASN AAA . n 
A 1 51  ALA 51  49  49  ALA ALA AAA . n 
A 1 52  ASP 52  50  50  ASP ASP AAA . n 
A 1 53  ASN 53  51  51  ASN ASN AAA . n 
A 1 54  ASP 54  52  52  ASP ASP AAA . n 
A 1 55  TRP 55  53  53  TRP TRP AAA . n 
A 1 56  PHE 56  54  54  PHE PHE AAA . n 
A 1 57  ARG 57  55  55  ARG ARG AAA . n 
A 1 58  LEU 58  56  56  LEU LEU AAA . n 
A 1 59  GLU 59  57  57  GLU GLU AAA . n 
A 1 60  SER 60  58  58  SER SER AAA . n 
A 1 61  ASN 61  59  59  ASN ASN AAA . n 
A 1 62  LYS 62  60  60  LYS LYS AAA . n 
A 1 63  GLU 63  61  61  GLU GLU AAA . n 
A 1 64  GLY 64  62  62  GLY GLY AAA . n 
A 1 65  THR 65  63  63  THR THR AAA . n 
A 1 66  ARG 66  64  64  ARG ARG AAA . n 
A 1 67  TRP 67  65  65  TRP TRP AAA . n 
A 1 68  PHE 68  66  66  PHE PHE AAA . n 
A 1 69  GLY 69  67  67  GLY GLY AAA . n 
A 1 70  LYS 70  68  68  LYS LYS AAA . n 
A 1 71  CYS 71  69  69  CYS CYS AAA . n 
A 1 72  TRP 72  70  70  TRP TRP AAA . n 
A 1 73  TYR 73  71  71  TYR TYR AAA . n 
A 1 74  ILE 74  72  72  ILE ILE AAA . n 
A 1 75  HIS 75  73  73  HIS HIS AAA . n 
A 1 76  ASP 76  74  74  ASP ASP AAA . n 
A 1 77  LEU 77  75  75  LEU LEU AAA . n 
A 1 78  LEU 78  76  76  LEU LEU AAA . n 
A 1 79  LYS 79  77  77  LYS LYS AAA . n 
A 1 80  TYR 80  78  78  TYR TYR AAA . n 
A 1 81  GLU 81  79  79  GLU GLU AAA . n 
A 1 82  PHE 82  80  80  PHE PHE AAA . n 
A 1 83  ASP 83  81  81  ASP ASP AAA . n 
A 1 84  ILE 84  82  82  ILE ILE AAA . n 
A 1 85  GLU 85  83  83  GLU GLU AAA . n 
A 1 86  PHE 86  84  84  PHE PHE AAA . n 
A 1 87  ASP 87  85  85  ASP ASP AAA . n 
A 1 88  ILE 88  86  86  ILE ILE AAA . n 
A 1 89  PRO 89  87  87  PRO PRO AAA . n 
A 1 90  ILE 90  88  88  ILE ILE AAA . n 
A 1 91  THR 91  89  89  THR THR AAA . n 
A 1 92  TYR 92  90  90  TYR TYR AAA . n 
A 1 93  PRO 93  91  91  PRO PRO AAA . n 
A 1 94  THR 94  92  92  THR THR AAA . n 
A 1 95  THR 95  93  93  THR THR AAA . n 
A 1 96  ALA 96  94  94  ALA ALA AAA . n 
A 1 97  PRO 97  95  95  PRO PRO AAA . n 
A 1 98  GLU 98  96  96  GLU GLU AAA . n 
A 1 99  ILE 99  97  97  ILE ILE AAA . n 
A 1 100 ALA 100 98  98  ALA ALA AAA . n 
A 1 101 VAL 101 99  99  VAL VAL AAA . n 
A 1 102 PRO 102 100 100 PRO PRO AAA . n 
A 1 103 GLU 103 101 101 GLU GLU AAA . n 
A 1 104 LEU 104 102 102 LEU LEU AAA . n 
A 1 105 ASP 105 103 103 ASP ASP AAA . n 
A 1 106 GLY 106 104 104 GLY GLY AAA . n 
A 1 107 LYS 107 105 105 LYS LYS AAA . n 
A 1 108 THR 108 106 106 THR THR AAA . n 
A 1 109 ALA 109 107 107 ALA ALA AAA . n 
A 1 110 ALA 110 108 108 ALA ALA AAA . n 
A 1 111 MET 111 109 109 MET MET AAA . n 
A 1 112 TYR 112 110 110 TYR TYR AAA . n 
A 1 113 ARG 113 111 111 ARG ARG AAA . n 
A 1 114 GLY 114 112 112 GLY GLY AAA . n 
A 1 115 GLY 115 113 113 GLY GLY AAA . n 
A 1 116 LYS 116 114 114 LYS LYS AAA . n 
A 1 117 ILE 117 115 115 ILE ILE AAA . n 
A 1 118 GLU 118 116 116 GLU GLU AAA . n 
A 1 119 LEU 119 117 117 LEU LEU AAA . n 
A 1 120 THR 120 118 118 THR THR AAA . n 
A 1 121 ASP 121 119 119 ASP ASP AAA . n 
A 1 122 HIS 122 120 120 HIS HIS AAA . n 
A 1 123 PHE 123 121 121 PHE PHE AAA . n 
A 1 124 LYS 124 122 122 LYS LYS AAA . n 
A 1 125 PRO 125 123 123 PRO PRO AAA . n 
A 1 126 LEU 126 124 124 LEU LEU AAA . n 
A 1 127 TRP 127 125 125 TRP TRP AAA . n 
A 1 128 ALA 128 126 126 ALA ALA AAA . n 
A 1 129 ARG 129 127 127 ARG ARG AAA . n 
A 1 130 ASN 130 128 128 ASN ASN AAA . n 
A 1 131 VAL 131 129 129 VAL VAL AAA . n 
A 1 132 PRO 132 130 130 PRO PRO AAA . n 
A 1 133 LYS 133 131 131 LYS LYS AAA . n 
A 1 134 PHE 134 132 132 PHE PHE AAA . n 
A 1 135 GLY 135 133 133 GLY GLY AAA . n 
A 1 136 LEU 136 134 134 LEU LEU AAA . n 
A 1 137 ALA 137 135 135 ALA ALA AAA . n 
A 1 138 HIS 138 136 136 HIS HIS AAA . n 
A 1 139 LEU 139 137 137 LEU LEU AAA . n 
A 1 140 MET 140 138 138 MET MET AAA . n 
A 1 141 ALA 141 139 139 ALA ALA AAA . n 
A 1 142 LEU 142 140 140 LEU LEU AAA . n 
A 1 143 GLY 143 141 141 GLY GLY AAA . n 
A 1 144 LEU 144 142 142 LEU LEU AAA . n 
A 1 145 GLY 145 143 143 GLY GLY AAA . n 
A 1 146 PRO 146 144 144 PRO PRO AAA . n 
A 1 147 TRP 147 145 145 TRP TRP AAA . n 
A 1 148 LEU 148 146 146 LEU LEU AAA . n 
A 1 149 ALA 149 147 147 ALA ALA AAA . n 
A 1 150 VAL 150 148 148 VAL VAL AAA . n 
A 1 151 GLU 151 149 149 GLU GLU AAA . n 
A 1 152 ILE 152 150 150 ILE ILE AAA . n 
A 1 153 PRO 153 151 151 PRO PRO AAA . n 
A 1 154 ASP 154 152 152 ASP ASP AAA . n 
A 1 155 LEU 155 153 153 LEU LEU AAA . n 
A 1 156 ILE 156 154 154 ILE ILE AAA . n 
A 1 157 GLN 157 155 155 GLN GLN AAA . n 
A 1 158 LYS 158 156 156 LYS LYS AAA . n 
A 1 159 GLY 159 157 157 GLY GLY AAA . n 
A 1 160 VAL 160 158 158 VAL VAL AAA . n 
A 1 161 ILE 161 159 159 ILE ILE AAA . n 
A 1 162 HIS 162 160 160 HIS HIS AAA . n 
A 1 163 HIS 163 161 161 HIS HIS AAA . n 
A 1 164 LYS 164 162 ?   ?   ?   AAA . n 
A 1 165 GLU 165 163 ?   ?   ?   AAA . n 
A 1 166 LYS 166 164 ?   ?   ?   AAA . n 
A 1 167 CYS 167 165 ?   ?   ?   AAA . n 
A 1 168 ASN 168 166 ?   ?   ?   AAA . n 
A 1 169 GLN 169 167 ?   ?   ?   AAA . n 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 GOL 1   201 201 GOL GOL AAA . 
C 3 SO4 1   202 202 SO4 SO4 AAA . 
D 4 HOH 1   301 60  HOH HOH AAA . 
D 4 HOH 2   302 83  HOH HOH AAA . 
D 4 HOH 3   303 85  HOH HOH AAA . 
D 4 HOH 4   304 11  HOH HOH AAA . 
D 4 HOH 5   305 88  HOH HOH AAA . 
D 4 HOH 6   306 94  HOH HOH AAA . 
D 4 HOH 7   307 77  HOH HOH AAA . 
D 4 HOH 8   308 53  HOH HOH AAA . 
D 4 HOH 9   309 44  HOH HOH AAA . 
D 4 HOH 10  310 59  HOH HOH AAA . 
D 4 HOH 11  311 32  HOH HOH AAA . 
D 4 HOH 12  312 100 HOH HOH AAA . 
D 4 HOH 13  313 49  HOH HOH AAA . 
D 4 HOH 14  314 4   HOH HOH AAA . 
D 4 HOH 15  315 51  HOH HOH AAA . 
D 4 HOH 16  316 95  HOH HOH AAA . 
D 4 HOH 17  317 45  HOH HOH AAA . 
D 4 HOH 18  318 97  HOH HOH AAA . 
D 4 HOH 19  319 79  HOH HOH AAA . 
D 4 HOH 20  320 43  HOH HOH AAA . 
D 4 HOH 21  321 25  HOH HOH AAA . 
D 4 HOH 22  322 47  HOH HOH AAA . 
D 4 HOH 23  323 58  HOH HOH AAA . 
D 4 HOH 24  324 40  HOH HOH AAA . 
D 4 HOH 25  325 93  HOH HOH AAA . 
D 4 HOH 26  326 64  HOH HOH AAA . 
D 4 HOH 27  327 10  HOH HOH AAA . 
D 4 HOH 28  328 26  HOH HOH AAA . 
D 4 HOH 29  329 55  HOH HOH AAA . 
D 4 HOH 30  330 69  HOH HOH AAA . 
D 4 HOH 31  331 21  HOH HOH AAA . 
D 4 HOH 32  332 9   HOH HOH AAA . 
D 4 HOH 33  333 73  HOH HOH AAA . 
D 4 HOH 34  334 74  HOH HOH AAA . 
D 4 HOH 35  335 98  HOH HOH AAA . 
D 4 HOH 36  336 17  HOH HOH AAA . 
D 4 HOH 37  337 52  HOH HOH AAA . 
D 4 HOH 38  338 29  HOH HOH AAA . 
D 4 HOH 39  339 14  HOH HOH AAA . 
D 4 HOH 40  340 13  HOH HOH AAA . 
D 4 HOH 41  341 82  HOH HOH AAA . 
D 4 HOH 42  342 67  HOH HOH AAA . 
D 4 HOH 43  343 15  HOH HOH AAA . 
D 4 HOH 44  344 31  HOH HOH AAA . 
D 4 HOH 45  345 6   HOH HOH AAA . 
D 4 HOH 46  346 37  HOH HOH AAA . 
D 4 HOH 47  347 16  HOH HOH AAA . 
D 4 HOH 48  348 72  HOH HOH AAA . 
D 4 HOH 49  349 19  HOH HOH AAA . 
D 4 HOH 50  350 33  HOH HOH AAA . 
D 4 HOH 51  351 91  HOH HOH AAA . 
D 4 HOH 52  352 30  HOH HOH AAA . 
D 4 HOH 53  353 65  HOH HOH AAA . 
D 4 HOH 54  354 22  HOH HOH AAA . 
D 4 HOH 55  355 20  HOH HOH AAA . 
D 4 HOH 56  356 50  HOH HOH AAA . 
D 4 HOH 57  357 78  HOH HOH AAA . 
D 4 HOH 58  358 36  HOH HOH AAA . 
D 4 HOH 59  359 71  HOH HOH AAA . 
D 4 HOH 60  360 68  HOH HOH AAA . 
D 4 HOH 61  361 62  HOH HOH AAA . 
D 4 HOH 62  362 8   HOH HOH AAA . 
D 4 HOH 63  363 92  HOH HOH AAA . 
D 4 HOH 64  364 23  HOH HOH AAA . 
D 4 HOH 65  365 5   HOH HOH AAA . 
D 4 HOH 66  366 48  HOH HOH AAA . 
D 4 HOH 67  367 2   HOH HOH AAA . 
D 4 HOH 68  368 80  HOH HOH AAA . 
D 4 HOH 69  369 28  HOH HOH AAA . 
D 4 HOH 70  370 38  HOH HOH AAA . 
D 4 HOH 71  371 76  HOH HOH AAA . 
D 4 HOH 72  372 24  HOH HOH AAA . 
D 4 HOH 73  373 41  HOH HOH AAA . 
D 4 HOH 74  374 12  HOH HOH AAA . 
D 4 HOH 75  375 39  HOH HOH AAA . 
D 4 HOH 76  376 3   HOH HOH AAA . 
D 4 HOH 77  377 56  HOH HOH AAA . 
D 4 HOH 78  378 102 HOH HOH AAA . 
D 4 HOH 79  379 99  HOH HOH AAA . 
D 4 HOH 80  380 34  HOH HOH AAA . 
D 4 HOH 81  381 42  HOH HOH AAA . 
D 4 HOH 82  382 57  HOH HOH AAA . 
D 4 HOH 83  383 63  HOH HOH AAA . 
D 4 HOH 84  384 86  HOH HOH AAA . 
D 4 HOH 85  385 61  HOH HOH AAA . 
D 4 HOH 86  386 101 HOH HOH AAA . 
D 4 HOH 87  387 18  HOH HOH AAA . 
D 4 HOH 88  388 66  HOH HOH AAA . 
D 4 HOH 89  389 89  HOH HOH AAA . 
D 4 HOH 90  390 46  HOH HOH AAA . 
D 4 HOH 91  391 35  HOH HOH AAA . 
D 4 HOH 92  392 110 HOH HOH AAA . 
D 4 HOH 93  393 84  HOH HOH AAA . 
D 4 HOH 94  394 54  HOH HOH AAA . 
D 4 HOH 95  395 81  HOH HOH AAA . 
D 4 HOH 96  396 1   HOH HOH AAA . 
D 4 HOH 97  397 104 HOH HOH AAA . 
D 4 HOH 98  398 108 HOH HOH AAA . 
D 4 HOH 99  399 75  HOH HOH AAA . 
D 4 HOH 100 400 90  HOH HOH AAA . 
D 4 HOH 101 401 111 HOH HOH AAA . 
D 4 HOH 102 402 70  HOH HOH AAA . 
D 4 HOH 103 403 107 HOH HOH AAA . 
D 4 HOH 104 404 27  HOH HOH AAA . 
D 4 HOH 105 405 106 HOH HOH AAA . 
D 4 HOH 106 406 105 HOH HOH AAA . 
D 4 HOH 107 407 109 HOH HOH AAA . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1  1 Y 1 AAA LYS 60  ? CE  ? A LYS 62  CE  
2  1 Y 1 AAA LYS 60  ? NZ  ? A LYS 62  NZ  
3  1 Y 1 AAA LYS 77  ? NZ  ? A LYS 79  NZ  
4  1 Y 1 AAA ARG 127 ? CG  ? A ARG 129 CG  
5  1 Y 1 AAA ARG 127 ? CD  ? A ARG 129 CD  
6  1 Y 1 AAA ARG 127 ? NE  ? A ARG 129 NE  
7  1 Y 1 AAA ARG 127 ? CZ  ? A ARG 129 CZ  
8  1 Y 1 AAA ARG 127 ? NH1 ? A ARG 129 NH1 
9  1 Y 1 AAA ARG 127 ? NH2 ? A ARG 129 NH2 
10 1 Y 1 AAA GLN 155 ? CD  ? A GLN 157 CD  
11 1 Y 1 AAA GLN 155 ? OE1 ? A GLN 157 OE1 
12 1 Y 1 AAA GLN 155 ? NE2 ? A GLN 157 NE2 
# 
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        ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0267 1 
? 'data collection' ? ? ? ? ? ? ? ? ? ? ? EDNA     ? ? ? .        2 
? 'data scaling'    ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        3 
? 'model building'  ? ? ? ? ? ? ? ? ? ? ? Coot     ? ? ? 0.9.6    4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9I9N 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     46.458 
_cell.length_a_esd                 ? 
_cell.length_b                     46.458 
_cell.length_b_esd                 ? 
_cell.length_c                     143.776 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        8 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         9I9N 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                92 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 41 21 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   9I9N 
_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             1.96 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          37.40 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, HANGING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_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 Tris pH 8.0, 2M Ammonium sulfate' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            298 
# 
_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         2024-01-19 
_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   0.87313 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE ID23-2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.87313 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID23-2 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          23.02 
_reflns.entry_id                                       9I9N 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.88 
_reflns.d_resolution_low                               44.21 
_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                                     12610 
_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                           92.84 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                2.0 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          15.50 
_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                                0.03682 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.88 
_reflns_shell.d_res_low                                     1.947 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.07 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             841 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               0.3467 
_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                                  0.806 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            0.014 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            0.014 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -0.028 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               21.539 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.958 
_refine.correlation_coeff_Fo_to_Fc_free          0.934 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_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                                 9I9N 
_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                            1.880 
_refine.ls_d_res_low                             44.208 
_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                     12610 
_refine.ls_number_reflns_R_free                  601 
_refine.ls_number_reflns_R_work                  12009 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    92.830 
_refine.ls_percent_reflns_R_free                 4.766 
_refine.ls_R_factor_all                          0.182 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.2288 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1793 
_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                    'MASK BULK SOLVENT' 
_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                          ? 
_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       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.169 
_refine.pdbx_overall_ESU_R_Free                  0.155 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_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                 ? 
_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                             3.394 
_refine.overall_SU_ML                            0.100 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1317 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         11 
_refine_hist.number_atoms_solvent             107 
_refine_hist.number_atoms_total               1435 
_refine_hist.d_res_high                       1.880 
_refine_hist.d_res_low                        44.208 
# 
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' ? 0.010  0.013  1371 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.002  0.015  1277 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.525  1.643  1865 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.394  1.579  2943 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 6.607  5.000  163  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 30.307 22.027 74   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 13.138 15.000 227  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 16.338 15.000 9    ? r_dihedral_angle_4_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.086  0.200  172  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.008  0.020  1526 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  316  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.209  0.200  275  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.193  0.200  1134 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.168  0.200  671  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.081  0.200  541  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.155  0.200  72   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.207  0.200  9    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.169  0.200  49   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.172  0.200  21   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 1.634  2.021  652  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 1.599  2.020  651  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.218  3.019  815  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 2.217  3.020  816  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 2.668  2.382  719  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.642  2.365  716  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.053  3.444  1050 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.009  3.418  1045 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 5.361  24.365 1575 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 5.319  24.130 1561 ? r_lrange_other                 ? ? 
# 
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' 1.880 1.929  984 . 29 579 61.7886  . 0.232 . . 0.229 . . . . . 0.233 . 20 . 0.879 0.884 0.300 
'X-RAY DIFFRACTION' 1.929 1.981  924 . 37 659 75.3247  . 0.215 . . 0.212 . . . . . 0.211 . 20 . 0.912 0.883 0.260 
'X-RAY DIFFRACTION' 1.981 2.039  944 . 40 712 79.6610  . 0.195 . . 0.192 . . . . . 0.185 . 20 . 0.934 0.914 0.250 
'X-RAY DIFFRACTION' 2.039 2.101  893 . 35 778 91.0414  . 0.185 . . 0.184 . . . . . 0.179 . 20 . 0.938 0.934 0.214 
'X-RAY DIFFRACTION' 2.101 2.170  869 . 42 770 93.4407  . 0.183 . . 0.178 . . . . . 0.170 . 20 . 0.945 0.923 0.261 
'X-RAY DIFFRACTION' 2.170 2.246  838 . 37 781 97.6134  . 0.169 . . 0.168 . . . . . 0.164 . 20 . 0.956 0.956 0.183 
'X-RAY DIFFRACTION' 2.246 2.331  841 . 30 805 99.2866  . 0.180 . . 0.178 . . . . . 0.169 . 20 . 0.951 0.939 0.234 
'X-RAY DIFFRACTION' 2.331 2.426  787 . 37 749 99.8729  . 0.200 . . 0.196 . . . . . 0.187 . 20 . 0.938 0.918 0.268 
'X-RAY DIFFRACTION' 2.426 2.533  767 . 47 720 100.0000 . 0.187 . . 0.183 . . . . . 0.173 . 20 . 0.946 0.938 0.251 
'X-RAY DIFFRACTION' 2.533 2.656  725 . 28 697 100.0000 . 0.176 . . 0.172 . . . . . 0.164 . 20 . 0.950 0.922 0.284 
'X-RAY DIFFRACTION' 2.656 2.799  705 . 33 672 100.0000 . 0.179 . . 0.174 . . . . . 0.164 . 20 . 0.951 0.926 0.292 
'X-RAY DIFFRACTION' 2.799 2.969  663 . 27 636 100.0000 . 0.184 . . 0.183 . . . . . 0.176 . 20 . 0.951 0.931 0.209 
'X-RAY DIFFRACTION' 2.969 3.172  631 . 30 600 99.8415  . 0.180 . . 0.179 . . . . . 0.174 . 20 . 0.955 0.963 0.192 
'X-RAY DIFFRACTION' 3.172 3.425  587 . 32 554 99.8296  . 0.181 . . 0.177 . . . . . 0.174 . 20 . 0.960 0.925 0.260 
'X-RAY DIFFRACTION' 3.425 3.750  542 . 39 502 99.8155  . 0.168 . . 0.165 . . . . . 0.168 . 20 . 0.967 0.961 0.211 
'X-RAY DIFFRACTION' 3.750 4.189  513 . 22 490 99.8051  . 0.165 . . 0.161 . . . . . 0.171 . 20 . 0.970 0.924 0.292 
'X-RAY DIFFRACTION' 4.189 4.829  443 . 10 432 99.7743  . 0.143 . . 0.143 . . . . . 0.156 . 20 . 0.977 0.973 0.171 
'X-RAY DIFFRACTION' 4.829 5.897  401 . 19 381 99.7506  . 0.184 . . 0.187 . . . . . 0.199 . 20 . 0.975 0.985 0.138 
'X-RAY DIFFRACTION' 5.897 8.267  318 . 17 298 99.0566  . 0.227 . . 0.229 . . . . . 0.238 . 20 . 0.965 0.972 0.190 
'X-RAY DIFFRACTION' 8.267 44.208 206 . 10 192 98.0583  . 0.220 . . 0.220 . . . . . 0.276 . 20 . 0.964 0.972 0.217 
# 
_struct.entry_id                     9I9N 
_struct.title                        'Crystal Structure of UFC1 C116E & K108A' 
_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        9I9N 
_struct_keywords.text            
;Ubiquitin fold modifier conjugation enzyme 1, UFC1, UFMylation, transthiolation activity, Ligase activity, aminoacyl transferase activity, Thioester mimetic, LIGASE
;
_struct_keywords.pdbx_keywords   LIGASE 
# 
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 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    UFC1_HUMAN 
_struct_ref.pdbx_db_accession          Q9Y3C8 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MADEATRRVVSEIPVLKTNAGPRDRELWVQRLKEEYQSLIRYVENNKNADNDWFRLESNKEGTRWFGKCWYIHDLLKYEF
DIEFDIPITYPTTAPEIAVPELDGKTAKMYRGGKICLTDHFKPLWARNVPKFGLAHLMALGLGPWLAVEIPDLIQKGVIQ
HKEKCNQ
;
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9I9N 
_struct_ref_seq.pdbx_strand_id                AAA 
_struct_ref_seq.seq_align_beg                 3 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 169 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q9Y3C8 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  167 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       167 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9I9N GLY AAA 1   ? UNP Q9Y3C8 ?   ?   'expression tag'      -1  1 
1 9I9N SER AAA 2   ? UNP Q9Y3C8 ?   ?   'expression tag'      0   2 
1 9I9N ALA AAA 110 ? UNP Q9Y3C8 LYS 108 'engineered mutation' 108 3 
1 9I9N GLU AAA 118 ? UNP Q9Y3C8 CYS 116 'engineered mutation' 116 4 
1 9I9N HIS AAA 162 ? UNP Q9Y3C8 GLN 160 conflict              160 5 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
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)' 390  ? 
1 MORE         -12  ? 
1 'SSA (A^2)'  9480 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                'monomeric assembly' 
# 
_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 2   ? SER A 13  ? SER AAA 0   SER AAA 11  1 ? 12 
HELX_P HELX_P2 AA2 ASP A 26  ? ALA A 51  ? ASP AAA 24  ALA AAA 49  1 ? 26 
HELX_P HELX_P3 AA3 VAL A 101 ? ASP A 105 ? VAL AAA 99  ASP AAA 103 5 ? 5  
HELX_P HELX_P4 AA4 ARG A 113 ? GLY A 115 ? ARG AAA 111 GLY AAA 113 5 ? 3  
HELX_P HELX_P5 AA5 HIS A 122 ? VAL A 131 ? HIS AAA 120 VAL AAA 129 1 ? 10 
HELX_P HELX_P6 AA6 GLY A 135 ? GLY A 143 ? GLY AAA 133 GLY AAA 141 1 ? 9  
HELX_P HELX_P7 AA7 GLY A 143 ? LYS A 158 ? GLY AAA 141 LYS AAA 156 1 ? 16 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 TYR 92  A . ? TYR 90  AAA PRO 93  A ? PRO 91  AAA 1 1.68 
2 VAL 131 A . ? VAL 129 AAA PRO 132 A ? PRO 130 AAA 1 1.55 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 3 ? 
AA2 ? 2 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA2 1 2 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 PHE A 56  ? SER A 60  ? PHE AAA 54  SER AAA 58  
AA1 2 ARG A 66  ? HIS A 75  ? ARG AAA 64  HIS AAA 73  
AA1 3 LEU A 78  ? ASP A 87  ? LEU AAA 76  ASP AAA 85  
AA2 1 MET A 111 ? TYR A 112 ? MET AAA 109 TYR AAA 110 
AA2 2 LYS A 116 ? ILE A 117 ? LYS AAA 114 ILE AAA 115 
# 
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 GLU A 59  ? N GLU AAA 57  O PHE A 68  ? O PHE AAA 66  
AA1 2 3 N TRP A 67  ? N TRP AAA 65  O PHE A 86  ? O PHE AAA 84  
AA2 1 2 N TYR A 112 ? N TYR AAA 110 O LYS A 116 ? O LYS AAA 114 
# 
_pdbx_entry_details.entry_id                   9I9N 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     N 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    AAA 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     391 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    AAA 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     391 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   7_555 
_pdbx_validate_symm_contact.dist              1.82 
# 
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 ARG AAA 25 ? ? 56.17   -128.96 
2 1 LEU AAA 75 ? ? 73.59   -1.62   
3 1 VAL AAA 99 ? ? -114.92 79.04   
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    AAA 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     379 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   D 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
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 AAA GLY -1  ? A GLY 1   
2 1 Y 1 AAA LYS 162 ? A LYS 164 
3 1 Y 1 AAA GLU 163 ? A GLU 165 
4 1 Y 1 AAA LYS 164 ? A LYS 166 
5 1 Y 1 AAA CYS 165 ? A CYS 167 
6 1 Y 1 AAA ASN 166 ? A ASN 168 
7 1 Y 1 AAA GLN 167 ? A GLN 169 
# 
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 
GOL C1   C N N 137 
GOL O1   O N N 138 
GOL C2   C N N 139 
GOL O2   O N N 140 
GOL C3   C N N 141 
GOL O3   O N N 142 
GOL H11  H N N 143 
GOL H12  H N N 144 
GOL HO1  H N N 145 
GOL H2   H N N 146 
GOL HO2  H N N 147 
GOL H31  H N N 148 
GOL H32  H N N 149 
GOL HO3  H N N 150 
HIS N    N N N 151 
HIS CA   C N S 152 
HIS C    C N N 153 
HIS O    O N N 154 
HIS CB   C N N 155 
HIS CG   C Y N 156 
HIS ND1  N Y N 157 
HIS CD2  C Y N 158 
HIS CE1  C Y N 159 
HIS NE2  N Y N 160 
HIS OXT  O N N 161 
HIS H    H N N 162 
HIS H2   H N N 163 
HIS HA   H N N 164 
HIS HB2  H N N 165 
HIS HB3  H N N 166 
HIS HD1  H N N 167 
HIS HD2  H N N 168 
HIS HE1  H N N 169 
HIS HE2  H N N 170 
HIS HXT  H N N 171 
HOH O    O N N 172 
HOH H1   H N N 173 
HOH H2   H N N 174 
ILE N    N N N 175 
ILE CA   C N S 176 
ILE C    C N N 177 
ILE O    O N N 178 
ILE CB   C N S 179 
ILE CG1  C N N 180 
ILE CG2  C N N 181 
ILE CD1  C N N 182 
ILE OXT  O N N 183 
ILE H    H N N 184 
ILE H2   H N N 185 
ILE HA   H N N 186 
ILE HB   H N N 187 
ILE HG12 H N N 188 
ILE HG13 H N N 189 
ILE HG21 H N N 190 
ILE HG22 H N N 191 
ILE HG23 H N N 192 
ILE HD11 H N N 193 
ILE HD12 H N N 194 
ILE HD13 H N N 195 
ILE HXT  H N N 196 
LEU N    N N N 197 
LEU CA   C N S 198 
LEU C    C N N 199 
LEU O    O N N 200 
LEU CB   C N N 201 
LEU CG   C N N 202 
LEU CD1  C N N 203 
LEU CD2  C N N 204 
LEU OXT  O N N 205 
LEU H    H N N 206 
LEU H2   H N N 207 
LEU HA   H N N 208 
LEU HB2  H N N 209 
LEU HB3  H N N 210 
LEU HG   H N N 211 
LEU HD11 H N N 212 
LEU HD12 H N N 213 
LEU HD13 H N N 214 
LEU HD21 H N N 215 
LEU HD22 H N N 216 
LEU HD23 H N N 217 
LEU HXT  H N N 218 
LYS N    N N N 219 
LYS CA   C N S 220 
LYS C    C N N 221 
LYS O    O N N 222 
LYS CB   C N N 223 
LYS CG   C N N 224 
LYS CD   C N N 225 
LYS CE   C N N 226 
LYS NZ   N N N 227 
LYS OXT  O N N 228 
LYS H    H N N 229 
LYS H2   H N N 230 
LYS HA   H N N 231 
LYS HB2  H N N 232 
LYS HB3  H N N 233 
LYS HG2  H N N 234 
LYS HG3  H N N 235 
LYS HD2  H N N 236 
LYS HD3  H N N 237 
LYS HE2  H N N 238 
LYS HE3  H N N 239 
LYS HZ1  H N N 240 
LYS HZ2  H N N 241 
LYS HZ3  H N N 242 
LYS HXT  H N N 243 
MET N    N N N 244 
MET CA   C N S 245 
MET C    C N N 246 
MET O    O N N 247 
MET CB   C N N 248 
MET CG   C N N 249 
MET SD   S N N 250 
MET CE   C N N 251 
MET OXT  O N N 252 
MET H    H N N 253 
MET H2   H N N 254 
MET HA   H N N 255 
MET HB2  H N N 256 
MET HB3  H N N 257 
MET HG2  H N N 258 
MET HG3  H N N 259 
MET HE1  H N N 260 
MET HE2  H N N 261 
MET HE3  H N N 262 
MET HXT  H N N 263 
PHE N    N N N 264 
PHE CA   C N S 265 
PHE C    C N N 266 
PHE O    O N N 267 
PHE CB   C N N 268 
PHE CG   C Y N 269 
PHE CD1  C Y N 270 
PHE CD2  C Y N 271 
PHE CE1  C Y N 272 
PHE CE2  C Y N 273 
PHE CZ   C Y N 274 
PHE OXT  O N N 275 
PHE H    H N N 276 
PHE H2   H N N 277 
PHE HA   H N N 278 
PHE HB2  H N N 279 
PHE HB3  H N N 280 
PHE HD1  H N N 281 
PHE HD2  H N N 282 
PHE HE1  H N N 283 
PHE HE2  H N N 284 
PHE HZ   H N N 285 
PHE HXT  H N N 286 
PRO N    N N N 287 
PRO CA   C N S 288 
PRO C    C N N 289 
PRO O    O N N 290 
PRO CB   C N N 291 
PRO CG   C N N 292 
PRO CD   C N N 293 
PRO OXT  O N N 294 
PRO H    H N N 295 
PRO HA   H N N 296 
PRO HB2  H N N 297 
PRO HB3  H N N 298 
PRO HG2  H N N 299 
PRO HG3  H N N 300 
PRO HD2  H N N 301 
PRO HD3  H N N 302 
PRO HXT  H N N 303 
SER N    N N N 304 
SER CA   C N S 305 
SER C    C N N 306 
SER O    O N N 307 
SER CB   C N N 308 
SER OG   O N N 309 
SER OXT  O N N 310 
SER H    H N N 311 
SER H2   H N N 312 
SER HA   H N N 313 
SER HB2  H N N 314 
SER HB3  H N N 315 
SER HG   H N N 316 
SER HXT  H N N 317 
SO4 S    S N N 318 
SO4 O1   O N N 319 
SO4 O2   O N N 320 
SO4 O3   O N N 321 
SO4 O4   O N N 322 
THR N    N N N 323 
THR CA   C N S 324 
THR C    C N N 325 
THR O    O N N 326 
THR CB   C N R 327 
THR OG1  O N N 328 
THR CG2  C N N 329 
THR OXT  O N N 330 
THR H    H N N 331 
THR H2   H N N 332 
THR HA   H N N 333 
THR HB   H N N 334 
THR HG1  H N N 335 
THR HG21 H N N 336 
THR HG22 H N N 337 
THR HG23 H N N 338 
THR HXT  H N N 339 
TRP N    N N N 340 
TRP CA   C N S 341 
TRP C    C N N 342 
TRP O    O N N 343 
TRP CB   C N N 344 
TRP CG   C Y N 345 
TRP CD1  C Y N 346 
TRP CD2  C Y N 347 
TRP NE1  N Y N 348 
TRP CE2  C Y N 349 
TRP CE3  C Y N 350 
TRP CZ2  C Y N 351 
TRP CZ3  C Y N 352 
TRP CH2  C Y N 353 
TRP OXT  O N N 354 
TRP H    H N N 355 
TRP H2   H N N 356 
TRP HA   H N N 357 
TRP HB2  H N N 358 
TRP HB3  H N N 359 
TRP HD1  H N N 360 
TRP HE1  H N N 361 
TRP HE3  H N N 362 
TRP HZ2  H N N 363 
TRP HZ3  H N N 364 
TRP HH2  H N N 365 
TRP HXT  H N N 366 
TYR N    N N N 367 
TYR CA   C N S 368 
TYR C    C N N 369 
TYR O    O N N 370 
TYR CB   C N N 371 
TYR CG   C Y N 372 
TYR CD1  C Y N 373 
TYR CD2  C Y N 374 
TYR CE1  C Y N 375 
TYR CE2  C Y N 376 
TYR CZ   C Y N 377 
TYR OH   O N N 378 
TYR OXT  O N N 379 
TYR H    H N N 380 
TYR H2   H N N 381 
TYR HA   H N N 382 
TYR HB2  H N N 383 
TYR HB3  H N N 384 
TYR HD1  H N N 385 
TYR HD2  H N N 386 
TYR HE1  H N N 387 
TYR HE2  H N N 388 
TYR HH   H N N 389 
TYR HXT  H N N 390 
VAL N    N N N 391 
VAL CA   C N S 392 
VAL C    C N N 393 
VAL O    O N N 394 
VAL CB   C N N 395 
VAL CG1  C N N 396 
VAL CG2  C N N 397 
VAL OXT  O N N 398 
VAL H    H N N 399 
VAL H2   H N N 400 
VAL HA   H N N 401 
VAL HB   H N N 402 
VAL HG11 H N N 403 
VAL HG12 H N N 404 
VAL HG13 H N N 405 
VAL HG21 H N N 406 
VAL HG22 H N N 407 
VAL HG23 H N N 408 
VAL HXT  H N N 409 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
GOL C1  O1   sing N N 129 
GOL C1  C2   sing N N 130 
GOL C1  H11  sing N N 131 
GOL C1  H12  sing N N 132 
GOL O1  HO1  sing N N 133 
GOL C2  O2   sing N N 134 
GOL C2  C3   sing N N 135 
GOL C2  H2   sing N N 136 
GOL O2  HO2  sing N N 137 
GOL C3  O3   sing N N 138 
GOL C3  H31  sing N N 139 
GOL C3  H32  sing N N 140 
GOL O3  HO3  sing N N 141 
HIS N   CA   sing N N 142 
HIS N   H    sing N N 143 
HIS N   H2   sing N N 144 
HIS CA  C    sing N N 145 
HIS CA  CB   sing N N 146 
HIS CA  HA   sing N N 147 
HIS C   O    doub N N 148 
HIS C   OXT  sing N N 149 
HIS CB  CG   sing N N 150 
HIS CB  HB2  sing N N 151 
HIS CB  HB3  sing N N 152 
HIS CG  ND1  sing Y N 153 
HIS CG  CD2  doub Y N 154 
HIS ND1 CE1  doub Y N 155 
HIS ND1 HD1  sing N N 156 
HIS CD2 NE2  sing Y N 157 
HIS CD2 HD2  sing N N 158 
HIS CE1 NE2  sing Y N 159 
HIS CE1 HE1  sing N N 160 
HIS NE2 HE2  sing N N 161 
HIS OXT HXT  sing N N 162 
HOH O   H1   sing N N 163 
HOH O   H2   sing N N 164 
ILE N   CA   sing N N 165 
ILE N   H    sing N N 166 
ILE N   H2   sing N N 167 
ILE CA  C    sing N N 168 
ILE CA  CB   sing N N 169 
ILE CA  HA   sing N N 170 
ILE C   O    doub N N 171 
ILE C   OXT  sing N N 172 
ILE CB  CG1  sing N N 173 
ILE CB  CG2  sing N N 174 
ILE CB  HB   sing N N 175 
ILE CG1 CD1  sing N N 176 
ILE CG1 HG12 sing N N 177 
ILE CG1 HG13 sing N N 178 
ILE CG2 HG21 sing N N 179 
ILE CG2 HG22 sing N N 180 
ILE CG2 HG23 sing N N 181 
ILE CD1 HD11 sing N N 182 
ILE CD1 HD12 sing N N 183 
ILE CD1 HD13 sing N N 184 
ILE OXT HXT  sing N N 185 
LEU N   CA   sing N N 186 
LEU N   H    sing N N 187 
LEU N   H2   sing N N 188 
LEU CA  C    sing N N 189 
LEU CA  CB   sing N N 190 
LEU CA  HA   sing N N 191 
LEU C   O    doub N N 192 
LEU C   OXT  sing N N 193 
LEU CB  CG   sing N N 194 
LEU CB  HB2  sing N N 195 
LEU CB  HB3  sing N N 196 
LEU CG  CD1  sing N N 197 
LEU CG  CD2  sing N N 198 
LEU CG  HG   sing N N 199 
LEU CD1 HD11 sing N N 200 
LEU CD1 HD12 sing N N 201 
LEU CD1 HD13 sing N N 202 
LEU CD2 HD21 sing N N 203 
LEU CD2 HD22 sing N N 204 
LEU CD2 HD23 sing N N 205 
LEU OXT HXT  sing N N 206 
LYS N   CA   sing N N 207 
LYS N   H    sing N N 208 
LYS N   H2   sing N N 209 
LYS CA  C    sing N N 210 
LYS CA  CB   sing N N 211 
LYS CA  HA   sing N N 212 
LYS C   O    doub N N 213 
LYS C   OXT  sing N N 214 
LYS CB  CG   sing N N 215 
LYS CB  HB2  sing N N 216 
LYS CB  HB3  sing N N 217 
LYS CG  CD   sing N N 218 
LYS CG  HG2  sing N N 219 
LYS CG  HG3  sing N N 220 
LYS CD  CE   sing N N 221 
LYS CD  HD2  sing N N 222 
LYS CD  HD3  sing N N 223 
LYS CE  NZ   sing N N 224 
LYS CE  HE2  sing N N 225 
LYS CE  HE3  sing N N 226 
LYS NZ  HZ1  sing N N 227 
LYS NZ  HZ2  sing N N 228 
LYS NZ  HZ3  sing N N 229 
LYS OXT HXT  sing N N 230 
MET N   CA   sing N N 231 
MET N   H    sing N N 232 
MET N   H2   sing N N 233 
MET CA  C    sing N N 234 
MET CA  CB   sing N N 235 
MET CA  HA   sing N N 236 
MET C   O    doub N N 237 
MET C   OXT  sing N N 238 
MET CB  CG   sing N N 239 
MET CB  HB2  sing N N 240 
MET CB  HB3  sing N N 241 
MET CG  SD   sing N N 242 
MET CG  HG2  sing N N 243 
MET CG  HG3  sing N N 244 
MET SD  CE   sing N N 245 
MET CE  HE1  sing N N 246 
MET CE  HE2  sing N N 247 
MET CE  HE3  sing N N 248 
MET OXT HXT  sing N N 249 
PHE N   CA   sing N N 250 
PHE N   H    sing N N 251 
PHE N   H2   sing N N 252 
PHE CA  C    sing N N 253 
PHE CA  CB   sing N N 254 
PHE CA  HA   sing N N 255 
PHE C   O    doub N N 256 
PHE C   OXT  sing N N 257 
PHE CB  CG   sing N N 258 
PHE CB  HB2  sing N N 259 
PHE CB  HB3  sing N N 260 
PHE CG  CD1  doub Y N 261 
PHE CG  CD2  sing Y N 262 
PHE CD1 CE1  sing Y N 263 
PHE CD1 HD1  sing N N 264 
PHE CD2 CE2  doub Y N 265 
PHE CD2 HD2  sing N N 266 
PHE CE1 CZ   doub Y N 267 
PHE CE1 HE1  sing N N 268 
PHE CE2 CZ   sing Y N 269 
PHE CE2 HE2  sing N N 270 
PHE CZ  HZ   sing N N 271 
PHE OXT HXT  sing N N 272 
PRO N   CA   sing N N 273 
PRO N   CD   sing N N 274 
PRO N   H    sing N N 275 
PRO CA  C    sing N N 276 
PRO CA  CB   sing N N 277 
PRO CA  HA   sing N N 278 
PRO C   O    doub N N 279 
PRO C   OXT  sing N N 280 
PRO CB  CG   sing N N 281 
PRO CB  HB2  sing N N 282 
PRO CB  HB3  sing N N 283 
PRO CG  CD   sing N N 284 
PRO CG  HG2  sing N N 285 
PRO CG  HG3  sing N N 286 
PRO CD  HD2  sing N N 287 
PRO CD  HD3  sing N N 288 
PRO OXT HXT  sing N N 289 
SER N   CA   sing N N 290 
SER N   H    sing N N 291 
SER N   H2   sing N N 292 
SER CA  C    sing N N 293 
SER CA  CB   sing N N 294 
SER CA  HA   sing N N 295 
SER C   O    doub N N 296 
SER C   OXT  sing N N 297 
SER CB  OG   sing N N 298 
SER CB  HB2  sing N N 299 
SER CB  HB3  sing N N 300 
SER OG  HG   sing N N 301 
SER OXT HXT  sing N N 302 
SO4 S   O1   doub N N 303 
SO4 S   O2   doub N N 304 
SO4 S   O3   sing N N 305 
SO4 S   O4   sing N N 306 
THR N   CA   sing N N 307 
THR N   H    sing N N 308 
THR N   H2   sing N N 309 
THR CA  C    sing N N 310 
THR CA  CB   sing N N 311 
THR CA  HA   sing N N 312 
THR C   O    doub N N 313 
THR C   OXT  sing N N 314 
THR CB  OG1  sing N N 315 
THR CB  CG2  sing N N 316 
THR CB  HB   sing N N 317 
THR OG1 HG1  sing N N 318 
THR CG2 HG21 sing N N 319 
THR CG2 HG22 sing N N 320 
THR CG2 HG23 sing N N 321 
THR OXT HXT  sing N N 322 
TRP N   CA   sing N N 323 
TRP N   H    sing N N 324 
TRP N   H2   sing N N 325 
TRP CA  C    sing N N 326 
TRP CA  CB   sing N N 327 
TRP CA  HA   sing N N 328 
TRP C   O    doub N N 329 
TRP C   OXT  sing N N 330 
TRP CB  CG   sing N N 331 
TRP CB  HB2  sing N N 332 
TRP CB  HB3  sing N N 333 
TRP CG  CD1  doub Y N 334 
TRP CG  CD2  sing Y N 335 
TRP CD1 NE1  sing Y N 336 
TRP CD1 HD1  sing N N 337 
TRP CD2 CE2  doub Y N 338 
TRP CD2 CE3  sing Y N 339 
TRP NE1 CE2  sing Y N 340 
TRP NE1 HE1  sing N N 341 
TRP CE2 CZ2  sing Y N 342 
TRP CE3 CZ3  doub Y N 343 
TRP CE3 HE3  sing N N 344 
TRP CZ2 CH2  doub Y N 345 
TRP CZ2 HZ2  sing N N 346 
TRP CZ3 CH2  sing Y N 347 
TRP CZ3 HZ3  sing N N 348 
TRP CH2 HH2  sing N N 349 
TRP OXT HXT  sing N N 350 
TYR N   CA   sing N N 351 
TYR N   H    sing N N 352 
TYR N   H2   sing N N 353 
TYR CA  C    sing N N 354 
TYR CA  CB   sing N N 355 
TYR CA  HA   sing N N 356 
TYR C   O    doub N N 357 
TYR C   OXT  sing N N 358 
TYR CB  CG   sing N N 359 
TYR CB  HB2  sing N N 360 
TYR CB  HB3  sing N N 361 
TYR CG  CD1  doub Y N 362 
TYR CG  CD2  sing Y N 363 
TYR CD1 CE1  sing Y N 364 
TYR CD1 HD1  sing N N 365 
TYR CD2 CE2  doub Y N 366 
TYR CD2 HD2  sing N N 367 
TYR CE1 CZ   doub Y N 368 
TYR CE1 HE1  sing N N 369 
TYR CE2 CZ   sing Y N 370 
TYR CE2 HE2  sing N N 371 
TYR CZ  OH   sing N N 372 
TYR OH  HH   sing N N 373 
TYR OXT HXT  sing N N 374 
VAL N   CA   sing N N 375 
VAL N   H    sing N N 376 
VAL N   H2   sing N N 377 
VAL CA  C    sing N N 378 
VAL CA  CB   sing N N 379 
VAL CA  HA   sing N N 380 
VAL C   O    doub N N 381 
VAL C   OXT  sing N N 382 
VAL CB  CG1  sing N N 383 
VAL CB  CG2  sing N N 384 
VAL CB  HB   sing N N 385 
VAL CG1 HG11 sing N N 386 
VAL CG1 HG12 sing N N 387 
VAL CG1 HG13 sing N N 388 
VAL CG2 HG21 sing N N 389 
VAL CG2 HG22 sing N N 390 
VAL CG2 HG23 sing N N 391 
VAL OXT HXT  sing N N 392 
# 
_pdbx_audit_support.funding_organization   'Israel Science Foundation' 
_pdbx_audit_support.country                Israel 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2Z6O 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9I9N 
_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]   0.021525 
_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]   0.021525 
_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]   0.006955 
_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.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C 6  6  2.310  20.844 1.020 10.208 1.589 0.569  0.865 51.651 0.216   
H 1  1  0.493  10.511 0.323 26.126 0.140 3.142  0.041 57.800 0.003   
N 7  7  12.222 0.006  3.135 9.893  2.014 28.997 1.167 0.583  -11.538 
O 8  8  3.049  13.277 2.287 5.701  1.546 0.324  0.867 32.909 0.251   
S 16 16 6.905  1.468  5.203 22.215 1.438 0.254  1.586 56.172 1.018   
# 
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_site.calc_flag 
ATOM   1    N N   . SER A 1 2   ? 23.163  23.772 5.791  1.000 40.906 0 0   SER AAA N   1 ? 
ATOM   2    C CA  . SER A 1 2   ? 21.807  24.350 5.857  1.000 35.277 0 0   SER AAA CA  1 ? 
ATOM   3    C C   . SER A 1 2   ? 21.340  24.420 7.317  1.000 36.160 0 0   SER AAA C   1 ? 
ATOM   4    O O   . SER A 1 2   ? 21.385  23.397 8.082  1.000 29.101 0 0   SER AAA O   1 ? 
ATOM   5    C CB  . SER A 1 2   ? 20.820  23.599 5.023  1.000 37.432 0 0   SER AAA CB  1 ? 
ATOM   6    O OG  . SER A 1 2   ? 19.521  23.781 5.542  1.000 35.413 0 0   SER AAA OG  1 ? 
ATOM   7    N N   . MET A 1 3   ? 20.869  25.594 7.708  1.000 28.349 0 1   MET AAA N   1 ? 
ATOM   8    C CA  . MET A 1 3   ? 20.439  25.823 9.098  1.000 26.794 0 1   MET AAA CA  1 ? 
ATOM   9    C C   . MET A 1 3   ? 19.207  24.952 9.385  1.000 24.583 0 1   MET AAA C   1 ? 
ATOM   10   O O   . MET A 1 3   ? 19.110  24.404 10.496 1.000 25.324 0 1   MET AAA O   1 ? 
ATOM   11   C CB  . MET A 1 3   ? 20.164  27.324 9.258  1.000 26.418 0 1   MET AAA CB  1 ? 
ATOM   12   C CG  . MET A 1 3   ? 19.962  27.724 10.640 1.000 27.003 0 1   MET AAA CG  1 ? 
ATOM   13   S SD  . MET A 1 3   ? 19.814  29.533 10.836 1.000 22.831 0 1   MET AAA SD  1 ? 
ATOM   14   C CE  . MET A 1 3   ? 19.256  29.447 12.525 1.000 22.919 0 1   MET AAA CE  1 ? 
ATOM   15   N N   . ALA A 1 4   ? 18.319  24.744 8.407  1.000 25.804 0 2   ALA AAA N   1 ? 
ATOM   16   C CA  . ALA A 1 4   ? 17.119  23.893 8.570  1.000 26.307 0 2   ALA AAA CA  1 ? 
ATOM   17   C C   . ALA A 1 4   ? 17.558  22.446 8.798  1.000 23.776 0 2   ALA AAA C   1 ? 
ATOM   18   O O   . ALA A 1 4   ? 16.948  21.759 9.603  1.000 21.825 0 2   ALA AAA O   1 ? 
ATOM   19   C CB  . ALA A 1 4   ? 16.206  23.975 7.371  1.000 29.095 0 2   ALA AAA CB  1 ? 
ATOM   20   N N   . ASP A 1 5   ? 18.575  22.001 8.080  1.000 24.185 0 3   ASP AAA N   1 ? 
ATOM   21   C CA  . ASP A 1 5   ? 19.027  20.596 8.188  1.000 24.558 0 3   ASP AAA CA  1 ? 
ATOM   22   C C   . ASP A 1 5   ? 19.571  20.368 9.589  1.000 22.309 0 3   ASP AAA C   1 ? 
ATOM   23   O O   . ASP A 1 5   ? 19.252  19.329 10.168 1.000 21.004 0 3   ASP AAA O   1 ? 
ATOM   24   C CB  . ASP A 1 5   ? 20.068  20.248 7.130  1.000 28.632 0 3   ASP AAA CB  1 ? 
ATOM   25   C CG  . ASP A 1 5   ? 19.478  20.063 5.743  1.000 29.829 0 3   ASP AAA CG  1 ? 
ATOM   26   O OD1 . ASP A 1 5   ? 18.243  19.973 5.625  1.000 28.961 0 3   ASP AAA OD1 1 ? 
ATOM   27   O OD2 . ASP A 1 5   ? 20.260  19.998 4.804  1.000 35.711 0 3   ASP AAA OD2 1 ? 
ATOM   28   N N   . GLU A 1 6   ? 20.410  21.276 10.089 1.000 20.033 0 4   GLU AAA N   1 ? 
ATOM   29   C CA  . GLU A 1 6   ? 20.987  21.135 11.447 1.000 21.659 0 4   GLU AAA CA  1 ? 
ATOM   30   C C   . GLU A 1 6   ? 19.874  21.195 12.503 1.000 19.067 0 4   GLU AAA C   1 ? 
ATOM   31   O O   . GLU A 1 6   ? 19.917  20.378 13.468 1.000 18.356 0 4   GLU AAA O   1 ? 
ATOM   32   C CB  . GLU A 1 6   ? 22.089  22.157 11.707 1.000 22.728 0 4   GLU AAA CB  1 ? 
ATOM   33   C CG  . GLU A 1 6   ? 22.791  21.923 13.029 1.000 26.487 0 4   GLU AAA CG  1 ? 
ATOM   34   C CD  . GLU A 1 6   ? 23.550  20.606 13.169 1.000 28.328 0 4   GLU AAA CD  1 ? 
ATOM   35   O OE1 . GLU A 1 6   ? 23.831  19.947 12.124 1.000 29.532 0 4   GLU AAA OE1 1 ? 
ATOM   36   O OE2 . GLU A 1 6   ? 23.875  20.261 14.315 1.000 26.631 0 4   GLU AAA OE2 1 ? 
ATOM   37   N N   . ALA A 1 7   ? 18.904  22.106 12.355 1.000 18.345 0 5   ALA AAA N   1 ? 
ATOM   38   C CA  . ALA A 1 7   ? 17.767  22.226 13.305 1.000 18.153 0 5   ALA AAA CA  1 ? 
ATOM   39   C C   . ALA A 1 7   ? 16.976  20.909 13.379 1.000 17.948 0 5   ALA AAA C   1 ? 
ATOM   40   O O   . ALA A 1 7   ? 16.631  20.425 14.509 1.000 16.857 0 5   ALA AAA O   1 ? 
ATOM   41   C CB  . ALA A 1 7   ? 16.914  23.414 12.911 1.000 18.910 0 5   ALA AAA CB  1 ? 
ATOM   42   N N   . THR A 1 8   ? 16.698  20.311 12.233 1.000 18.024 0 6   THR AAA N   1 ? 
ATOM   43   C CA  . THR A 1 8   ? 16.016  18.995 12.144 1.000 19.814 0 6   THR AAA CA  1 ? 
ATOM   44   C C   . THR A 1 8   ? 16.842  17.918 12.865 1.000 18.633 0 6   THR AAA C   1 ? 
ATOM   45   O O   . THR A 1 8   ? 16.261  17.220 13.722 1.000 16.829 0 6   THR AAA O   1 ? 
ATOM   46   C CB  . THR A 1 8   ? 15.745  18.615 10.688 1.000 21.286 0 6   THR AAA CB  1 ? 
ATOM   47   O OG1 . THR A 1 8   ? 14.936  19.667 10.161 1.000 20.782 0 6   THR AAA OG1 1 ? 
ATOM   48   C CG2 . THR A 1 8   ? 14.994  17.314 10.560 1.000 22.928 0 6   THR AAA CG2 1 ? 
ATOM   49   N N   . ARG A 1 9   ? 18.139  17.789 12.579 1.000 18.846 0 7   ARG AAA N   1 ? 
ATOM   50   C CA  . ARG A 1 9   ? 18.994  16.719 13.185 1.000 20.905 0 7   ARG AAA CA  1 ? 
ATOM   51   C C   . ARG A 1 9   ? 19.089  16.872 14.707 1.000 19.437 0 7   ARG AAA C   1 ? 
ATOM   52   O O   . ARG A 1 9   ? 19.000  15.862 15.408 1.000 18.836 0 7   ARG AAA O   1 ? 
ATOM   53   C CB  . ARG A 1 9   ? 20.393  16.712 12.564 1.000 24.046 0 7   ARG AAA CB  1 ? 
ATOM   54   C CG  . ARG A 1 9   ? 20.380  16.417 11.079 1.000 32.787 0 7   ARG AAA CG  1 ? 
ATOM   55   C CD  . ARG A 1 9   ? 21.783  16.224 10.517 1.000 39.950 0 7   ARG AAA CD  1 ? 
ATOM   56   N NE  . ARG A 1 9   ? 22.557  17.464 10.546 1.000 47.515 0 7   ARG AAA NE  1 ? 
ATOM   57   C CZ  . ARG A 1 9   ? 22.755  18.272 9.498  1.000 51.279 0 7   ARG AAA CZ  1 ? 
ATOM   58   N NH1 . ARG A 1 9   ? 22.251  17.964 8.309  1.000 53.493 0 7   ARG AAA NH1 1 ? 
ATOM   59   N NH2 . ARG A 1 9   ? 23.458  19.386 9.644  1.000 46.066 0 7   ARG AAA NH2 1 ? 
ATOM   60   N N   . ARG A 1 10  ? 19.293  18.089 15.203 1.000 19.339 0 8   ARG AAA N   1 ? 
ATOM   61   C CA  . ARG A 1 10  ? 19.280  18.408 16.665 1.000 19.381 0 8   ARG AAA CA  1 ? 
ATOM   62   C C   . ARG A 1 10  ? 17.986  17.912 17.308 1.000 19.084 0 8   ARG AAA C   1 ? 
ATOM   63   O O   . ARG A 1 10  ? 18.057  17.291 18.354 1.000 18.477 0 8   ARG AAA O   1 ? 
ATOM   64   C CB  . ARG A 1 10  ? 19.416  19.909 16.883 1.000 19.898 0 8   ARG AAA CB  1 ? 
ATOM   65   C CG  . ARG A 1 10  ? 20.792  20.460 16.541 1.000 21.158 0 8   ARG AAA CG  1 ? 
ATOM   66   C CD  . ARG A 1 10  ? 21.876  20.179 17.569 1.000 24.028 0 8   ARG AAA CD  1 ? 
ATOM   67   N NE  . ARG A 1 10  ? 23.144  20.768 17.132 1.000 25.501 0 8   ARG AAA NE  1 ? 
ATOM   68   C CZ  . ARG A 1 10  ? 24.315  20.723 17.785 1.000 28.285 0 8   ARG AAA CZ  1 ? 
ATOM   69   N NH1 . ARG A 1 10  ? 24.434  20.068 18.923 1.000 31.345 0 8   ARG AAA NH1 1 ? 
ATOM   70   N NH2 . ARG A 1 10  ? 25.388  21.298 17.265 1.000 27.499 0 8   ARG AAA NH2 1 ? 
ATOM   71   N N   . VAL A 1 11  ? 16.841  18.214 16.717 1.000 16.545 0 9   VAL AAA N   1 ? 
ATOM   72   C CA  . VAL A 1 11  ? 15.558  17.861 17.366 1.000 16.863 0 9   VAL AAA CA  1 ? 
ATOM   73   C C   . VAL A 1 11  ? 15.336  16.344 17.282 1.000 18.014 0 9   VAL AAA C   1 ? 
ATOM   74   O O   . VAL A 1 11  ? 14.911  15.807 18.287 1.000 18.747 0 9   VAL AAA O   1 ? 
ATOM   75   C CB  . VAL A 1 11  ? 14.400  18.677 16.797 1.000 16.566 0 9   VAL AAA CB  1 ? 
ATOM   76   C CG1 . VAL A 1 11  ? 13.058  18.118 17.271 1.000 19.305 0 9   VAL AAA CG1 1 ? 
ATOM   77   C CG2 . VAL A 1 11  ? 14.559  20.137 17.136 1.000 16.512 0 9   VAL AAA CG2 1 ? 
ATOM   78   N N   . VAL A 1 12  ? 15.692  15.656 16.195 1.000 17.737 0 10  VAL AAA N   1 ? 
ATOM   79   C CA  . VAL A 1 12  ? 15.278  14.226 15.977 1.000 20.926 0 10  VAL AAA CA  1 ? 
ATOM   80   C C   . VAL A 1 12  ? 16.440  13.219 16.049 1.000 22.474 0 10  VAL AAA C   1 ? 
ATOM   81   O O   . VAL A 1 12  ? 16.148  12.023 15.929 1.000 21.058 0 10  VAL AAA O   1 ? 
ATOM   82   C CB  . VAL A 1 12  ? 14.542  14.056 14.639 1.000 22.831 0 10  VAL AAA CB  1 ? 
ATOM   83   C CG1 . VAL A 1 12  ? 13.319  14.949 14.563 1.000 23.670 0 10  VAL AAA CG1 1 ? 
ATOM   84   C CG2 . VAL A 1 12  ? 15.451  14.262 13.457 1.000 24.255 0 10  VAL AAA CG2 1 ? 
ATOM   85   N N   . SER A 1 13  ? 17.693  13.623 16.277 1.000 27.291 0 11  SER AAA N   1 ? 
ATOM   86   C CA  . SER A 1 13  ? 18.884  12.728 16.069 1.000 31.441 0 11  SER AAA CA  1 ? 
ATOM   87   C C   . SER A 1 13  ? 18.833  11.417 16.897 1.000 30.865 0 11  SER AAA C   1 ? 
ATOM   88   O O   . SER A 1 13  ? 19.471  10.422 16.443 1.000 32.467 0 11  SER AAA O   1 ? 
ATOM   89   C CB  . SER A 1 13  ? 20.187  13.444 16.360 1.000 30.751 0 11  SER AAA CB  1 ? 
ATOM   90   O OG  . SER A 1 13  ? 20.203  13.861 17.723 1.000 35.902 0 11  SER AAA OG  1 ? 
ATOM   91   N N   . GLU A 1 14  ? 18.219  11.404 18.092 1.000 23.822 0 12  GLU AAA N   1 ? 
ATOM   92   C CA  . GLU A 1 14  ? 18.202  10.225 19.010 1.000 22.641 0 12  GLU AAA CA  1 ? 
ATOM   93   C C   . GLU A 1 14  ? 16.871  9.443  18.908 1.000 19.513 0 12  GLU AAA C   1 ? 
ATOM   94   O O   . GLU A 1 14  ? 16.648  8.545  19.718 1.000 18.191 0 12  GLU AAA O   1 ? 
ATOM   95   C CB  . GLU A 1 14  ? 18.402  10.668 20.458 1.000 25.797 0 12  GLU AAA CB  1 ? 
ATOM   96   C CG  . GLU A 1 14  ? 19.525  11.684 20.626 1.000 31.201 0 12  GLU AAA CG  1 ? 
ATOM   97   C CD  . GLU A 1 14  ? 19.600  12.287 22.022 1.000 35.844 0 12  GLU AAA CD  1 ? 
ATOM   98   O OE1 . GLU A 1 14  ? 18.649  13.008 22.429 1.000 41.705 0 12  GLU AAA OE1 1 ? 
ATOM   99   O OE2 . GLU A 1 14  ? 20.576  12.009 22.715 1.000 41.357 0 12  GLU AAA OE2 1 ? 
ATOM   100  N N   . ILE A 1 15  ? 16.029  9.774  17.943 1.000 17.316 0 13  ILE AAA N   1 ? 
ATOM   101  C CA  . ILE A 1 15  ? 14.773  9.038  17.613 1.000 16.959 0 13  ILE AAA CA  1 ? 
ATOM   102  C C   . ILE A 1 15  ? 15.105  7.995  16.543 1.000 16.080 0 13  ILE AAA C   1 ? 
ATOM   103  O O   . ILE A 1 15  ? 15.602  8.360  15.484 1.000 17.443 0 13  ILE AAA O   1 ? 
ATOM   104  C CB  . ILE A 1 15  ? 13.691  10.018 17.116 1.000 16.016 0 13  ILE AAA CB  1 ? 
ATOM   105  C CG1 . ILE A 1 15  ? 13.438  11.141 18.122 1.000 16.188 0 13  ILE AAA CG1 1 ? 
ATOM   106  C CG2 . ILE A 1 15  ? 12.431  9.258  16.765 1.000 16.200 0 13  ILE AAA CG2 1 ? 
ATOM   107  C CD1 . ILE A 1 15  ? 12.337  12.074 17.732 1.000 17.106 0 13  ILE AAA CD1 1 ? 
ATOM   108  N N   . PRO A 1 16  ? 14.821  6.686  16.750 1.000 16.796 0 14  PRO AAA N   1 ? 
ATOM   109  C CA  . PRO A 1 16  ? 15.035  5.684  15.709 1.000 16.335 0 14  PRO AAA CA  1 ? 
ATOM   110  C C   . PRO A 1 16  ? 14.324  6.128  14.429 1.000 15.537 0 14  PRO AAA C   1 ? 
ATOM   111  O O   . PRO A 1 16  ? 13.190  6.476  14.472 1.000 15.148 0 14  PRO AAA O   1 ? 
ATOM   112  C CB  . PRO A 1 16  ? 14.402  4.402  16.265 1.000 15.091 0 14  PRO AAA CB  1 ? 
ATOM   113  C CG  . PRO A 1 16  ? 14.489  4.580  17.766 1.000 16.572 0 14  PRO AAA CG  1 ? 
ATOM   114  C CD  . PRO A 1 16  ? 14.292  6.068  17.979 1.000 16.216 0 14  PRO AAA CD  1 ? 
ATOM   115  N N   . VAL A 1 17  ? 15.037  6.057  13.322 1.000 15.285 0 15  VAL AAA N   1 ? 
ATOM   116  C CA  . VAL A 1 17  ? 14.506  6.264  11.947 1.000 17.685 0 15  VAL AAA CA  1 ? 
ATOM   117  C C   . VAL A 1 17  ? 13.604  5.086  11.569 1.000 17.998 0 15  VAL AAA C   1 ? 
ATOM   118  O O   . VAL A 1 17  ? 13.878  3.945  12.039 1.000 18.788 0 15  VAL AAA O   1 ? 
ATOM   119  C CB  . VAL A 1 17  ? 15.725  6.437  11.011 1.000 19.604 0 15  VAL AAA CB  1 ? 
ATOM   120  C CG1 . VAL A 1 17  ? 15.329  6.619  9.571  1.000 21.971 0 15  VAL AAA CG1 1 ? 
ATOM   121  C CG2 . VAL A 1 17  ? 16.596  7.605  11.445 1.000 21.509 0 15  VAL AAA CG2 1 ? 
ATOM   122  N N   . LEU A 1 18  ? 12.549  5.318  10.775 1.000 16.922 0 16  LEU AAA N   1 ? 
ATOM   123  C CA  . LEU A 1 18  ? 11.671  4.241  10.278 1.000 18.280 0 16  LEU AAA CA  1 ? 
ATOM   124  C C   . LEU A 1 18  ? 12.081  3.891  8.842  1.000 18.568 0 16  LEU AAA C   1 ? 
ATOM   125  O O   . LEU A 1 18  ? 12.836  4.632  8.213  1.000 18.429 0 16  LEU AAA O   1 ? 
ATOM   126  C CB  . LEU A 1 18  ? 10.206  4.652  10.367 1.000 16.793 0 16  LEU AAA CB  1 ? 
ATOM   127  C CG  . LEU A 1 18  ? 9.692   4.762  11.806 1.000 16.995 0 16  LEU AAA CG  1 ? 
ATOM   128  C CD1 . LEU A 1 18  ? 10.131  6.078  12.426 1.000 17.708 0 16  LEU AAA CD1 1 ? 
ATOM   129  C CD2 . LEU A 1 18  ? 8.198   4.594  11.884 1.000 17.693 0 16  LEU AAA CD2 1 ? 
ATOM   130  N N   . LYS A 1 19  ? 11.567  2.790  8.364  1.000 19.895 0 17  LYS AAA N   1 ? 
ATOM   131  C CA  . LYS A 1 19  ? 12.059  2.189  7.125  1.000 21.096 0 17  LYS AAA CA  1 ? 
ATOM   132  C C   . LYS A 1 19  ? 10.917  1.879  6.173  1.000 19.201 0 17  LYS AAA C   1 ? 
ATOM   133  O O   . LYS A 1 19  ? 11.107  2.136  4.990  1.000 19.377 0 17  LYS AAA O   1 ? 
ATOM   134  C CB  . LYS A 1 19  ? 12.843  0.928  7.485  1.000 24.447 0 17  LYS AAA CB  1 ? 
ATOM   135  C CG  . LYS A 1 19  ? 13.233  0.060  6.283  1.000 28.126 0 17  LYS AAA CG  1 ? 
ATOM   136  C CD  . LYS A 1 19  ? 13.084  -1.371 6.595  1.000 29.884 0 17  LYS AAA CD  1 ? 
ATOM   137  C CE  . LYS A 1 19  ? 13.891  -2.296 5.720  1.000 31.423 0 17  LYS AAA CE  1 ? 
ATOM   138  N NZ  . LYS A 1 19  ? 13.019  -2.959 4.736  1.000 28.955 0 17  LYS AAA NZ  1 ? 
ATOM   139  N N   . THR A 1 20  ? 9.825   1.254  6.614  1.000 17.680 0 18  THR AAA N   1 ? 
ATOM   140  C CA  . THR A 1 20  ? 8.894   0.558  5.694  1.000 17.562 0 18  THR AAA CA  1 ? 
ATOM   141  C C   . THR A 1 20  ? 7.903   1.565  5.079  1.000 19.176 0 18  THR AAA C   1 ? 
ATOM   142  O O   . THR A 1 20  ? 7.236   2.314  5.841  1.000 17.175 0 18  THR AAA O   1 ? 
ATOM   143  C CB  . THR A 1 20  ? 8.192   -0.600 6.420  1.000 17.870 0 18  THR AAA CB  1 ? 
ATOM   144  O OG1 . THR A 1 20  ? 9.203   -1.473 6.945  1.000 17.835 0 18  THR AAA OG1 1 ? 
ATOM   145  C CG2 . THR A 1 20  ? 7.228   -1.357 5.544  1.000 17.840 0 18  THR AAA CG2 1 ? 
ATOM   146  N N   . ASN A 1 21  ? 7.770   1.563  3.750  1.000 20.370 0 19  ASN AAA N   1 ? 
ATOM   147  C CA  . ASN A 1 21  ? 6.725   2.360  3.064  1.000 23.879 0 19  ASN AAA CA  1 ? 
ATOM   148  C C   . ASN A 1 21  ? 5.449   1.533  3.011  1.000 22.605 0 19  ASN AAA C   1 ? 
ATOM   149  O O   . ASN A 1 21  ? 5.219   0.840  1.988  1.000 25.306 0 19  ASN AAA O   1 ? 
ATOM   150  C CB  . ASN A 1 21  ? 7.095   2.904  1.674  1.000 28.950 0 19  ASN AAA CB  1 ? 
ATOM   151  C CG  . ASN A 1 21  ? 6.245   4.135  1.393  1.000 32.466 0 19  ASN AAA CG  1 ? 
ATOM   152  O OD1 . ASN A 1 21  ? 5.033   4.039  1.396  1.000 30.425 0 19  ASN AAA OD1 1 ? 
ATOM   153  N ND2 . ASN A 1 21  ? 6.844   5.321  1.295  1.000 34.104 0 19  ASN AAA ND2 1 ? 
ATOM   154  N N   . ALA A 1 22  ? 4.643   1.608  4.074  1.000 20.641 0 20  ALA AAA N   1 ? 
ATOM   155  C CA  . ALA A 1 22  ? 3.368   0.872  4.170  1.000 20.323 0 20  ALA AAA CA  1 ? 
ATOM   156  C C   . ALA A 1 22  ? 2.356   1.697  4.964  1.000 19.558 0 20  ALA AAA C   1 ? 
ATOM   157  O O   . ALA A 1 22  ? 2.746   2.337  5.952  1.000 17.832 0 20  ALA AAA O   1 ? 
ATOM   158  C CB  . ALA A 1 22  ? 3.600   -0.494 4.790  1.000 19.481 0 20  ALA AAA CB  1 ? 
ATOM   159  N N   . GLY A 1 23  ? 1.105   1.662  4.511  1.000 19.291 0 21  GLY AAA N   1 ? 
ATOM   160  C CA  . GLY A 1 23  ? -0.052  2.229  5.205  1.000 19.000 0 21  GLY AAA CA  1 ? 
ATOM   161  C C   . GLY A 1 23  ? -1.023  1.146  5.635  1.000 18.692 0 21  GLY AAA C   1 ? 
ATOM   162  O O   . GLY A 1 23  ? -0.790  -0.040 5.400  1.000 19.619 0 21  GLY AAA O   1 ? 
ATOM   163  N N   . PRO A 1 24  ? -2.156  1.565  6.232  1.000 19.837 0 22  PRO AAA N   1 ? 
ATOM   164  C CA  . PRO A 1 24  ? -3.087  0.660  6.907  1.000 22.240 0 22  PRO AAA CA  1 ? 
ATOM   165  C C   . PRO A 1 24  ? -3.593  -0.549 6.101  1.000 22.598 0 22  PRO AAA C   1 ? 
ATOM   166  O O   . PRO A 1 24  ? -3.939  -1.542 6.719  1.000 22.637 0 22  PRO AAA O   1 ? 
ATOM   167  C CB  . PRO A 1 24  ? -4.280  1.577  7.221  1.000 22.737 0 22  PRO AAA CB  1 ? 
ATOM   168  C CG  . PRO A 1 24  ? -3.661  2.937  7.393  1.000 23.024 0 22  PRO AAA CG  1 ? 
ATOM   169  C CD  . PRO A 1 24  ? -2.558  2.974  6.360  1.000 20.743 0 22  PRO AAA CD  1 ? 
ATOM   170  N N   . ARG A 1 25  ? -3.575  -0.475 4.771  1.000 22.543 0 23  ARG AAA N   1 ? 
ATOM   171  C CA  . ARG A 1 25  ? -4.141  -1.558 3.925  1.000 25.617 0 23  ARG AAA CA  1 ? 
ATOM   172  C C   . ARG A 1 25  ? -3.052  -2.553 3.539  1.000 25.436 0 23  ARG AAA C   1 ? 
ATOM   173  O O   . ARG A 1 25  ? -3.403  -3.486 2.827  1.000 24.577 0 23  ARG AAA O   1 ? 
ATOM   174  C CB  . ARG A 1 25  ? -4.802  -0.968 2.680  1.000 29.157 0 23  ARG AAA CB  1 ? 
ATOM   175  C CG  . ARG A 1 25  ? -5.900  0.028  3.033  1.000 32.415 0 23  ARG AAA CG  1 ? 
ATOM   176  C CD  . ARG A 1 25  ? -6.932  0.244  1.941  1.000 37.782 0 23  ARG AAA CD  1 ? 
ATOM   177  N NE  . ARG A 1 25  ? -6.289  0.405  0.647  1.000 40.029 0 23  ARG AAA NE  1 ? 
ATOM   178  C CZ  . ARG A 1 25  ? -6.768  1.120  -0.375 1.000 44.383 0 23  ARG AAA CZ  1 ? 
ATOM   179  N NH1 . ARG A 1 25  ? -6.067  1.195  -1.494 1.000 47.323 0 23  ARG AAA NH1 1 ? 
ATOM   180  N NH2 . ARG A 1 25  ? -7.916  1.768  -0.277 1.000 38.751 0 23  ARG AAA NH2 1 ? 
ATOM   181  N N   . ASP A 1 26  ? -1.798  -2.374 3.986  1.000 22.319 0 24  ASP AAA N   1 ? 
ATOM   182  C CA  . ASP A 1 26  ? -0.639  -3.098 3.392  1.000 22.340 0 24  ASP AAA CA  1 ? 
ATOM   183  C C   . ASP A 1 26  ? -0.276  -4.341 4.220  1.000 20.815 0 24  ASP AAA C   1 ? 
ATOM   184  O O   . ASP A 1 26  ? 0.827   -4.829 4.078  1.000 20.488 0 24  ASP AAA O   1 ? 
ATOM   185  C CB  . ASP A 1 26  ? 0.530   -2.150 3.158  1.000 23.469 0 24  ASP AAA CB  1 ? 
ATOM   186  C CG  . ASP A 1 26  ? 0.168   -1.045 2.195  1.000 26.103 0 24  ASP AAA CG  1 ? 
ATOM   187  O OD1 . ASP A 1 26  ? -0.784  -1.242 1.413  1.000 30.052 0 24  ASP AAA OD1 1 ? 
ATOM   188  O OD2 . ASP A 1 26  ? 0.815   -0.003 2.251  1.000 25.809 0 24  ASP AAA OD2 1 ? 
ATOM   189  N N   . ARG A 1 27  ? -1.199  -4.879 5.002  1.000 22.272 0 25  ARG AAA N   1 ? 
ATOM   190  C CA  . ARG A 1 27  ? -1.082  -6.258 5.553  1.000 24.620 0 25  ARG AAA CA  1 ? 
ATOM   191  C C   . ARG A 1 27  ? 0.220   -6.425 6.342  1.000 23.036 0 25  ARG AAA C   1 ? 
ATOM   192  O O   . ARG A 1 27  ? 0.469   -5.588 7.231  1.000 19.760 0 25  ARG AAA O   1 ? 
ATOM   193  C CB  . ARG A 1 27  ? -1.205  -7.260 4.399  1.000 27.810 0 25  ARG AAA CB  1 ? 
ATOM   194  C CG  . ARG A 1 27  ? -2.490  -7.105 3.601  1.000 33.795 0 25  ARG AAA CG  1 ? 
ATOM   195  C CD  . ARG A 1 27  ? -3.689  -7.369 4.484  1.000 44.679 0 25  ARG AAA CD  1 ? 
ATOM   196  N NE  . ARG A 1 27  ? -4.957  -7.369 3.756  1.000 55.319 0 25  ARG AAA NE  1 ? 
ATOM   197  C CZ  . ARG A 1 27  ? -6.167  -7.329 4.319  1.000 59.048 0 25  ARG AAA CZ  1 ? 
ATOM   198  N NH1 . ARG A 1 27  ? -6.299  -7.301 5.635  1.000 62.404 0 25  ARG AAA NH1 1 ? 
ATOM   199  N NH2 . ARG A 1 27  ? -7.249  -7.321 3.561  1.000 63.060 0 25  ARG AAA NH2 1 ? 
ATOM   200  N N   . GLU A 1 28  ? 1.023   -7.466 6.063  1.000 19.996 0 26  GLU AAA N   1 ? 
ATOM   201  C CA  . GLU A 1 28  ? 2.267   -7.760 6.829  1.000 20.208 0 26  GLU AAA CA  1 ? 
ATOM   202  C C   . GLU A 1 28  ? 3.261   -6.588 6.804  1.000 18.620 0 26  GLU AAA C   1 ? 
ATOM   203  O O   . GLU A 1 28  ? 4.021   -6.496 7.760  1.000 16.912 0 26  GLU AAA O   1 ? 
ATOM   204  C CB  . GLU A 1 28  ? 2.957   -9.046 6.337  1.000 20.780 0 26  GLU AAA CB  1 ? 
ATOM   205  C CG  . GLU A 1 28  ? 3.489   -8.998 4.932  1.000 24.910 0 26  GLU AAA CG  1 ? 
ATOM   206  C CD  . GLU A 1 28  ? 2.474   -9.015 3.789  1.000 26.714 0 26  GLU AAA CD  1 ? 
ATOM   207  O OE1 . GLU A 1 28  ? 1.297   -9.362 4.007  1.000 28.339 0 26  GLU AAA OE1 1 ? 
ATOM   208  O OE2 . GLU A 1 28  ? 2.871   -8.660 2.690  1.000 31.496 0 26  GLU AAA OE2 1 ? 
ATOM   209  N N   . LEU A 1 29  ? 3.305   -5.771 5.730  1.000 19.272 0 27  LEU AAA N   1 ? 
ATOM   210  C CA  . LEU A 1 29  ? 4.190   -4.568 5.657  1.000 18.804 0 27  LEU AAA CA  1 ? 
ATOM   211  C C   . LEU A 1 29  ? 3.652   -3.501 6.633  1.000 16.306 0 27  LEU AAA C   1 ? 
ATOM   212  O O   . LEU A 1 29  ? 4.463   -2.771 7.233  1.000 15.452 0 27  LEU AAA O   1 ? 
ATOM   213  C CB  . LEU A 1 29  ? 4.258   -4.069 4.198  1.000 18.904 0 27  LEU AAA CB  1 ? 
ATOM   214  C CG  . LEU A 1 29  ? 4.920   -5.024 3.203  1.000 20.802 0 27  LEU AAA CG  1 ? 
ATOM   215  C CD1 . LEU A 1 29  ? 4.846   -4.488 1.785  1.000 22.559 0 27  LEU AAA CD1 1 ? 
ATOM   216  C CD2 . LEU A 1 29  ? 6.384   -5.290 3.565  1.000 21.541 0 27  LEU AAA CD2 1 ? 
ATOM   217  N N   . TRP A 1 30  ? 2.322   -3.424 6.827  1.000 14.863 0 28  TRP AAA N   1 ? 
ATOM   218  C CA  . TRP A 1 30  ? 1.710   -2.484 7.808  1.000 15.276 0 28  TRP AAA CA  1 ? 
ATOM   219  C C   . TRP A 1 30  ? 2.050   -2.930 9.241  1.000 15.533 0 28  TRP AAA C   1 ? 
ATOM   220  O O   . TRP A 1 30  ? 2.435   -2.080 10.060 1.000 15.550 0 28  TRP AAA O   1 ? 
ATOM   221  C CB  . TRP A 1 30  ? 0.194   -2.357 7.605  1.000 15.509 0 28  TRP AAA CB  1 ? 
ATOM   222  C CG  . TRP A 1 30  ? -0.457  -1.442 8.597  1.000 15.897 0 28  TRP AAA CG  1 ? 
ATOM   223  C CD1 . TRP A 1 30  ? -1.486  -1.752 9.438  1.000 16.458 0 28  TRP AAA CD1 1 ? 
ATOM   224  C CD2 . TRP A 1 30  ? -0.096  -0.079 8.885  1.000 16.987 0 28  TRP AAA CD2 1 ? 
ATOM   225  N NE1 . TRP A 1 30  ? -1.795  -0.670 10.226 1.000 18.183 0 28  TRP AAA NE1 1 ? 
ATOM   226  C CE2 . TRP A 1 30  ? -0.966  0.374  9.907  1.000 17.359 0 28  TRP AAA CE2 1 ? 
ATOM   227  C CE3 . TRP A 1 30  ? 0.879   0.801  8.395  1.000 17.633 0 28  TRP AAA CE3 1 ? 
ATOM   228  C CZ2 . TRP A 1 30  ? -0.886  1.663  10.431 1.000 17.402 0 28  TRP AAA CZ2 1 ? 
ATOM   229  C CZ3 . TRP A 1 30  ? 0.931   2.084  8.900  1.000 17.161 0 28  TRP AAA CZ3 1 ? 
ATOM   230  C CH2 . TRP A 1 30  ? 0.082   2.495  9.916  1.000 16.891 0 28  TRP AAA CH2 1 ? 
ATOM   231  N N   . VAL A 1 31  ? 1.972   -4.235 9.521  1.000 16.758 0 29  VAL AAA N   1 ? 
ATOM   232  C CA  . VAL A 1 31  ? 2.346   -4.799 10.848 1.000 16.558 0 29  VAL AAA CA  1 ? 
ATOM   233  C C   . VAL A 1 31  ? 3.807   -4.433 11.111 1.000 15.635 0 29  VAL AAA C   1 ? 
ATOM   234  O O   . VAL A 1 31  ? 4.117   -4.015 12.239 1.000 15.678 0 29  VAL AAA O   1 ? 
ATOM   235  C CB  . VAL A 1 31  ? 2.086   -6.319 10.903 1.000 16.837 0 29  VAL AAA CB  1 ? 
ATOM   236  C CG1 . VAL A 1 31  ? 2.719   -6.986 12.110 1.000 18.789 0 29  VAL AAA CG1 1 ? 
ATOM   237  C CG2 . VAL A 1 31  ? 0.595   -6.632 10.897 1.000 19.581 0 29  VAL AAA CG2 1 ? 
ATOM   238  N N   . GLN A 1 32  ? 4.688   -4.602 10.120 1.000 15.533 0 30  GLN AAA N   1 ? 
ATOM   239  C CA  . GLN A 1 32  ? 6.118   -4.251 10.260 1.000 15.505 0 30  GLN AAA CA  1 ? 
ATOM   240  C C   . GLN A 1 32  ? 6.271   -2.740 10.499 1.000 15.629 0 30  GLN AAA C   1 ? 
ATOM   241  O O   . GLN A 1 32  ? 7.076   -2.323 11.338 1.000 15.873 0 30  GLN AAA O   1 ? 
ATOM   242  C CB  . GLN A 1 32  ? 6.891   -4.692 9.019  1.000 15.919 0 30  GLN AAA CB  1 ? 
ATOM   243  C CG  . GLN A 1 32  ? 8.336   -4.200 8.981  1.000 15.826 0 30  GLN AAA CG  1 ? 
ATOM   244  C CD  . GLN A 1 32  ? 9.180   -4.630 10.163 1.000 16.675 0 30  GLN AAA CD  1 ? 
ATOM   245  O OE1 . GLN A 1 32  ? 9.041   -5.727 10.680 1.000 15.426 0 30  GLN AAA OE1 1 ? 
ATOM   246  N NE2 . GLN A 1 32  ? 10.095  -3.776 10.583 1.000 17.409 0 30  GLN AAA NE2 1 ? 
ATOM   247  N N   . ARG A 1 33  ? 5.587   -1.906 9.719  1.000 17.313 0 31  ARG AAA N   1 ? 
ATOM   248  C CA  . ARG A 1 33  ? 5.652   -0.435 9.936  1.000 16.532 0 31  ARG AAA CA  1 ? 
ATOM   249  C C   . ARG A 1 33  ? 5.242   -0.096 11.382 1.000 16.157 0 31  ARG AAA C   1 ? 
ATOM   250  O O   . ARG A 1 33  ? 5.875   0.775  11.995 1.000 15.623 0 31  ARG AAA O   1 ? 
ATOM   251  C CB  . ARG A 1 33  ? 4.794   0.285  8.895  1.000 17.236 0 31  ARG AAA CB  1 ? 
ATOM   252  C CG  . ARG A 1 33  ? 4.723   1.798  9.077  1.000 16.584 0 31  ARG AAA CG  1 ? 
ATOM   253  C CD  . ARG A 1 33  ? 6.061   2.491  8.857  1.000 16.653 0 31  ARG AAA CD  1 ? 
ATOM   254  N NE  . ARG A 1 33  ? 6.060   3.919  9.137  1.000 16.240 0 31  ARG AAA NE  1 ? 
ATOM   255  C CZ  . ARG A 1 33  ? 6.912   4.799  8.622  1.000 15.808 0 31  ARG AAA CZ  1 ? 
ATOM   256  N NH1 . ARG A 1 33  ? 7.790   4.433  7.709  1.000 17.398 0 31  ARG AAA NH1 1 ? 
ATOM   257  N NH2 . ARG A 1 33  ? 6.868   6.066  8.992  1.000 16.560 0 31  ARG AAA NH2 1 ? 
ATOM   258  N N   . LEU A 1 34  ? 4.198   -0.727 11.908 1.000 15.650 0 32  LEU AAA N   1 ? 
ATOM   259  C CA  . LEU A 1 34  ? 3.734   -0.487 13.307 1.000 17.132 0 32  LEU AAA CA  1 ? 
ATOM   260  C C   . LEU A 1 34  ? 4.829   -0.860 14.321 1.000 16.839 0 32  LEU AAA C   1 ? 
ATOM   261  O O   . LEU A 1 34  ? 4.965   -0.134 15.308 1.000 17.367 0 32  LEU AAA O   1 ? 
ATOM   262  C CB  . LEU A 1 34  ? 2.442   -1.245 13.603 1.000 17.071 0 32  LEU AAA CB  1 ? 
ATOM   263  C CG  . LEU A 1 34  ? 1.171   -0.642 13.019 1.000 20.255 0 32  LEU AAA CG  1 ? 
ATOM   264  C CD1 . LEU A 1 34  ? -0.020  -1.559 13.240 1.000 20.160 0 32  LEU AAA CD1 1 ? 
ATOM   265  C CD2 . LEU A 1 34  ? 0.916   0.748  13.605 1.000 19.897 0 32  LEU AAA CD2 1 ? 
ATOM   266  N N   . LYS A 1 35  ? 5.607   -1.922 14.086 1.000 16.705 0 33  LYS AAA N   1 ? 
ATOM   267  C CA  . LYS A 1 35  ? 6.739   -2.261 14.987 1.000 17.097 0 33  LYS AAA CA  1 ? 
ATOM   268  C C   . LYS A 1 35  ? 7.746   -1.103 14.964 1.000 15.675 0 33  LYS AAA C   1 ? 
ATOM   269  O O   . LYS A 1 35  ? 8.218   -0.682 16.030 1.000 15.622 0 33  LYS AAA O   1 ? 
ATOM   270  C CB  . LYS A 1 35  ? 7.407   -3.564 14.579 1.000 17.900 0 33  LYS AAA CB  1 ? 
ATOM   271  C CG  . LYS A 1 35  ? 6.477   -4.763 14.585 1.000 18.024 0 33  LYS AAA CG  1 ? 
ATOM   272  C CD  . LYS A 1 35  ? 7.138   -6.020 14.125 1.000 19.273 0 33  LYS AAA CD  1 ? 
ATOM   273  C CE  . LYS A 1 35  ? 6.191   -7.203 14.215 1.000 21.285 0 33  LYS AAA CE  1 ? 
ATOM   274  N NZ  . LYS A 1 35  ? 6.850   -8.398 13.678 1.000 21.681 0 33  LYS AAA NZ  1 ? 
ATOM   275  N N   . GLU A 1 36  ? 8.099   -0.603 13.789 1.000 15.254 0 34  GLU AAA N   1 ? 
ATOM   276  C CA  . GLU A 1 36  ? 8.965   0.598  13.677 1.000 15.311 0 34  GLU AAA CA  1 ? 
ATOM   277  C C   . GLU A 1 36  ? 8.339   1.798  14.423 1.000 14.225 0 34  GLU AAA C   1 ? 
ATOM   278  O O   . GLU A 1 36  ? 9.086   2.545  15.098 1.000 14.252 0 34  GLU AAA O   1 ? 
ATOM   279  C CB  . GLU A 1 36  ? 9.245   0.903  12.210 1.000 16.789 0 34  GLU AAA CB  1 ? 
ATOM   280  C CG  . GLU A 1 36  ? 9.930   -0.233 11.486 1.000 17.025 0 34  GLU AAA CG  1 ? 
ATOM   281  C CD  . GLU A 1 36  ? 9.883   -0.149 9.976  1.000 18.409 0 34  GLU AAA CD  1 ? 
ATOM   282  O OE1 . GLU A 1 36  ? 9.554   0.964  9.443  1.000 17.272 0 34  GLU AAA OE1 1 ? 
ATOM   283  O OE2 . GLU A 1 36  ? 10.107  -1.214 9.342  1.000 17.116 0 34  GLU AAA OE2 1 ? 
ATOM   284  N N   . GLU A 1 37  ? 7.041   2.055  14.261 1.000 13.891 0 35  GLU AAA N   1 ? 
ATOM   285  C CA  . GLU A 1 37  ? 6.358   3.221  14.895 1.000 15.189 0 35  GLU AAA CA  1 ? 
ATOM   286  C C   . GLU A 1 37  ? 6.480   3.104  16.416 1.000 14.684 0 35  GLU AAA C   1 ? 
ATOM   287  O O   . GLU A 1 37  ? 6.858   4.078  17.051 1.000 14.263 0 35  GLU AAA O   1 ? 
ATOM   288  C CB  . GLU A 1 37  ? 4.897   3.306  14.472 1.000 16.271 0 35  GLU AAA CB  1 ? 
ATOM   289  C CG  . GLU A 1 37  ? 4.696   3.616  13.005 1.000 16.667 0 35  GLU AAA CG  1 ? 
ATOM   290  C CD  . GLU A 1 37  ? 4.970   5.040  12.577 1.000 16.139 0 35  GLU AAA CD  1 ? 
ATOM   291  O OE1 . GLU A 1 37  ? 5.304   5.861  13.452 1.000 15.765 0 35  GLU AAA OE1 1 ? 
ATOM   292  O OE2 . GLU A 1 37  ? 4.832   5.304  11.366 1.000 14.520 0 35  GLU AAA OE2 1 ? 
ATOM   293  N N   . TYR A 1 38  ? 6.198   1.930  16.980 1.000 14.874 0 36  TYR AAA N   1 ? 
ATOM   294  C CA  . TYR A 1 38  ? 6.226   1.726  18.449 1.000 15.640 0 36  TYR AAA CA  1 ? 
ATOM   295  C C   . TYR A 1 38  ? 7.679   1.785  18.941 1.000 15.291 0 36  TYR AAA C   1 ? 
ATOM   296  O O   . TYR A 1 38  ? 7.905   2.400  20.008 1.000 16.417 0 36  TYR AAA O   1 ? 
ATOM   297  C CB  . TYR A 1 38  ? 5.515   0.438  18.874 1.000 15.405 0 36  TYR AAA CB  1 ? 
ATOM   298  C CG  . TYR A 1 38  ? 4.028   0.581  19.077 1.000 16.122 0 36  TYR AAA CG  1 ? 
ATOM   299  C CD1 . TYR A 1 38  ? 3.129   0.234  18.086 1.000 17.808 0 36  TYR AAA CD1 1 ? 
ATOM   300  C CD2 . TYR A 1 38  ? 3.506   1.082  20.259 1.000 17.625 0 36  TYR AAA CD2 1 ? 
ATOM   301  C CE1 . TYR A 1 38  ? 1.764   0.373  18.275 1.000 18.830 0 36  TYR AAA CE1 1 ? 
ATOM   302  C CE2 . TYR A 1 38  ? 2.142   1.212  20.468 1.000 16.402 0 36  TYR AAA CE2 1 ? 
ATOM   303  C CZ  . TYR A 1 38  ? 1.260   0.876  19.467 1.000 18.827 0 36  TYR AAA CZ  1 ? 
ATOM   304  O OH  . TYR A 1 38  ? -0.100  1.009  19.677 1.000 20.073 0 36  TYR AAA OH  1 ? 
ATOM   305  N N   . GLN A 1 39  ? 8.633   1.197  18.206 1.000 16.077 0 37  GLN AAA N   1 ? 
ATOM   306  C CA  . GLN A 1 39  ? 10.055  1.253  18.645 1.000 18.056 0 37  GLN AAA CA  1 ? 
ATOM   307  C C   . GLN A 1 39  ? 10.509  2.715  18.678 1.000 16.730 0 37  GLN AAA C   1 ? 
ATOM   308  O O   . GLN A 1 39  ? 11.234  3.081  19.627 1.000 17.564 0 37  GLN AAA O   1 ? 
ATOM   309  C CB  . GLN A 1 39  ? 10.970  0.319  17.852 1.000 20.297 0 37  GLN AAA CB  1 ? 
ATOM   310  C CG  . GLN A 1 39  ? 11.653  0.906  16.645 1.000 23.313 0 37  GLN AAA CG  1 ? 
ATOM   311  C CD  . GLN A 1 39  ? 12.591  -0.060 15.956 1.000 24.267 0 37  GLN AAA CD  1 ? 
ATOM   312  O OE1 . GLN A 1 39  ? 12.983  -1.107 16.495 1.000 24.326 0 37  GLN AAA OE1 1 ? 
ATOM   313  N NE2 . GLN A 1 39  ? 12.887  0.247  14.707 1.000 23.375 0 37  GLN AAA NE2 1 ? 
ATOM   314  N N   A SER A 1 40  ? 10.096  3.524  17.702 0.500 16.443 0 38  SER AAA N   1 ? 
ATOM   315  N N   B SER A 1 40  ? 10.103  3.526  17.693 0.500 14.246 0 38  SER AAA N   1 ? 
ATOM   316  C CA  A SER A 1 40  ? 10.515  4.944  17.603 0.500 17.331 0 38  SER AAA CA  1 ? 
ATOM   317  C CA  B SER A 1 40  ? 10.506  4.954  17.580 0.500 13.724 0 38  SER AAA CA  1 ? 
ATOM   318  C C   A SER A 1 40  ? 9.813   5.778  18.692 0.500 16.151 0 38  SER AAA C   1 ? 
ATOM   319  C C   B SER A 1 40  ? 9.813   5.778  18.684 0.500 14.167 0 38  SER AAA C   1 ? 
ATOM   320  O O   A SER A 1 40  ? 10.486  6.577  19.372 0.500 15.000 0 38  SER AAA O   1 ? 
ATOM   321  O O   B SER A 1 40  ? 10.493  6.562  19.375 0.500 13.333 0 38  SER AAA O   1 ? 
ATOM   322  C CB  A SER A 1 40  ? 10.282  5.469  16.202 0.500 18.909 0 38  SER AAA CB  1 ? 
ATOM   323  C CB  B SER A 1 40  ? 10.251  5.487  16.164 0.500 12.809 0 38  SER AAA CB  1 ? 
ATOM   324  O OG  A SER A 1 40  ? 10.216  6.880  16.225 0.500 22.208 0 38  SER AAA OG  1 ? 
ATOM   325  O OG  B SER A 1 40  ? 11.148  4.904  15.225 0.500 10.601 0 38  SER AAA OG  1 ? 
ATOM   326  N N   . LEU A 1 41  ? 8.509   5.574  18.899 1.000 14.646 0 39  LEU AAA N   1 ? 
ATOM   327  C CA  . LEU A 1 41  ? 7.748   6.306  19.932 1.000 15.005 0 39  LEU AAA CA  1 ? 
ATOM   328  C C   . LEU A 1 41  ? 8.329   6.015  21.311 1.000 15.465 0 39  LEU AAA C   1 ? 
ATOM   329  O O   . LEU A 1 41  ? 8.466   6.953  22.126 1.000 14.105 0 39  LEU AAA O   1 ? 
ATOM   330  C CB  . LEU A 1 41  ? 6.271   5.920  19.875 1.000 17.277 0 39  LEU AAA CB  1 ? 
ATOM   331  C CG  . LEU A 1 41  ? 5.462   6.637  18.803 1.000 17.851 0 39  LEU AAA CG  1 ? 
ATOM   332  C CD1 . LEU A 1 41  ? 4.151   5.914  18.580 1.000 19.311 0 39  LEU AAA CD1 1 ? 
ATOM   333  C CD2 . LEU A 1 41  ? 5.244   8.118  19.162 1.000 19.368 0 39  LEU AAA CD2 1 ? 
ATOM   334  N N   . ILE A 1 42  ? 8.591   4.754  21.612 1.000 15.057 0 40  ILE AAA N   1 ? 
ATOM   335  C CA  . ILE A 1 42  ? 8.952   4.385  22.994 1.000 16.972 0 40  ILE AAA CA  1 ? 
ATOM   336  C C   . ILE A 1 42  ? 10.366  4.901  23.304 1.000 16.051 0 40  ILE AAA C   1 ? 
ATOM   337  O O   . ILE A 1 42  ? 10.568  5.343  24.444 1.000 16.620 0 40  ILE AAA O   1 ? 
ATOM   338  C CB  . ILE A 1 42  ? 8.736   2.884  23.270 1.000 18.176 0 40  ILE AAA CB  1 ? 
ATOM   339  C CG1 . ILE A 1 42  ? 8.622   2.627  24.775 1.000 20.862 0 40  ILE AAA CG1 1 ? 
ATOM   340  C CG2 . ILE A 1 42  ? 9.818   2.036  22.661 1.000 17.956 0 40  ILE AAA CG2 1 ? 
ATOM   341  C CD1 . ILE A 1 42  ? 7.622   3.492  25.528 1.000 21.714 0 40  ILE AAA CD1 1 ? 
ATOM   342  N N   . ARG A 1 43  ? 11.291  4.904  22.346 1.000 17.117 0 41  ARG AAA N   1 ? 
ATOM   343  C CA  . ARG A 1 43  ? 12.649  5.472  22.543 1.000 17.015 0 41  ARG AAA CA  1 ? 
ATOM   344  C C   . ARG A 1 43  ? 12.511  6.989  22.769 1.000 16.293 0 41  ARG AAA C   1 ? 
ATOM   345  O O   . ARG A 1 43  ? 13.158  7.518  23.697 1.000 15.285 0 41  ARG AAA O   1 ? 
ATOM   346  C CB  . ARG A 1 43  ? 13.564  5.113  21.374 1.000 18.731 0 41  ARG AAA CB  1 ? 
ATOM   347  C CG  . ARG A 1 43  ? 14.906  5.830  21.416 1.000 21.857 0 41  ARG AAA CG  1 ? 
ATOM   348  C CD  . ARG A 1 43  ? 15.852  5.333  22.491 1.000 25.891 0 41  ARG AAA CD  1 ? 
ATOM   349  N NE  . ARG A 1 43  ? 16.889  6.355  22.658 1.000 30.648 0 41  ARG AAA NE  1 ? 
ATOM   350  C CZ  . ARG A 1 43  ? 18.099  6.373  22.073 1.000 32.352 0 41  ARG AAA CZ  1 ? 
ATOM   351  N NH1 . ARG A 1 43  ? 18.939  7.358  22.338 1.000 34.443 0 41  ARG AAA NH1 1 ? 
ATOM   352  N NH2 . ARG A 1 43  ? 18.501  5.384  21.297 1.000 33.552 0 41  ARG AAA NH2 1 ? 
ATOM   353  N N   . TYR A 1 44  ? 11.625  7.657  22.020 1.000 16.319 0 42  TYR AAA N   1 ? 
ATOM   354  C CA  . TYR A 1 44  ? 11.374  9.114  22.154 1.000 15.880 0 42  TYR AAA CA  1 ? 
ATOM   355  C C   . TYR A 1 44  ? 10.846  9.402  23.578 1.000 15.781 0 42  TYR AAA C   1 ? 
ATOM   356  O O   . TYR A 1 44  ? 11.367  10.300 24.238 1.000 15.273 0 42  TYR AAA O   1 ? 
ATOM   357  C CB  . TYR A 1 44  ? 10.484  9.645  21.012 1.000 15.805 0 42  TYR AAA CB  1 ? 
ATOM   358  C CG  . TYR A 1 44  ? 10.167  11.129 21.049 1.000 16.273 0 42  TYR AAA CG  1 ? 
ATOM   359  C CD1 . TYR A 1 44  ? 11.139  12.076 21.343 1.000 16.257 0 42  TYR AAA CD1 1 ? 
ATOM   360  C CD2 . TYR A 1 44  ? 8.885   11.607 20.819 1.000 17.021 0 42  TYR AAA CD2 1 ? 
ATOM   361  C CE1 . TYR A 1 44  ? 10.871  13.443 21.379 1.000 18.016 0 42  TYR AAA CE1 1 ? 
ATOM   362  C CE2 . TYR A 1 44  ? 8.590   12.963 20.870 1.000 15.519 0 42  TYR AAA CE2 1 ? 
ATOM   363  C CZ  . TYR A 1 44  ? 9.581   13.895 21.126 1.000 16.695 0 42  TYR AAA CZ  1 ? 
ATOM   364  O OH  . TYR A 1 44  ? 9.282   15.234 21.195 1.000 14.800 0 42  TYR AAA OH  1 ? 
ATOM   365  N N   . VAL A 1 45  ? 9.818   8.672  24.044 1.000 17.019 0 43  VAL AAA N   1 ? 
ATOM   366  C CA  . VAL A 1 45  ? 9.233   8.819  25.409 1.000 16.945 0 43  VAL AAA CA  1 ? 
ATOM   367  C C   . VAL A 1 45  ? 10.338  8.654  26.479 1.000 18.670 0 43  VAL AAA C   1 ? 
ATOM   368  O O   . VAL A 1 45  ? 10.405  9.483  27.439 1.000 18.258 0 43  VAL AAA O   1 ? 
ATOM   369  C CB  . VAL A 1 45  ? 8.049   7.848  25.620 1.000 17.096 0 43  VAL AAA CB  1 ? 
ATOM   370  C CG1 . VAL A 1 45  ? 7.635   7.800  27.078 1.000 19.263 0 43  VAL AAA CG1 1 ? 
ATOM   371  C CG2 . VAL A 1 45  ? 6.838   8.217  24.787 1.000 19.098 0 43  VAL AAA CG2 1 ? 
ATOM   372  N N   . GLU A 1 46  ? 11.166  7.624  26.358 1.000 18.750 0 44  GLU AAA N   1 ? 
ATOM   373  C CA  . GLU A 1 46  ? 12.242  7.318  27.337 1.000 21.927 0 44  GLU AAA CA  1 ? 
ATOM   374  C C   . GLU A 1 46  ? 13.278  8.445  27.312 1.000 20.711 0 44  GLU AAA C   1 ? 
ATOM   375  O O   . GLU A 1 46  ? 13.682  8.871  28.402 1.000 19.800 0 44  GLU AAA O   1 ? 
ATOM   376  C CB  . GLU A 1 46  ? 12.887  5.958  27.062 1.000 25.922 0 44  GLU AAA CB  1 ? 
ATOM   377  C CG  . GLU A 1 46  ? 11.921  4.821  27.315 1.000 33.358 0 44  GLU AAA CG  1 ? 
ATOM   378  C CD  . GLU A 1 46  ? 12.208  3.480  26.650 1.000 39.340 0 44  GLU AAA CD  1 ? 
ATOM   379  O OE1 . GLU A 1 46  ? 13.081  3.390  25.726 1.000 42.646 0 44  GLU AAA OE1 1 ? 
ATOM   380  O OE2 . GLU A 1 46  ? 11.495  2.532  27.025 1.000 47.028 0 44  GLU AAA OE2 1 ? 
ATOM   381  N N   . ASN A 1 47  ? 13.652  8.955  26.136 1.000 20.885 0 45  ASN AAA N   1 ? 
ATOM   382  C CA  . ASN A 1 47  ? 14.550  10.143 26.071 1.000 20.675 0 45  ASN AAA CA  1 ? 
ATOM   383  C C   . ASN A 1 47  ? 13.856  11.322 26.766 1.000 19.099 0 45  ASN AAA C   1 ? 
ATOM   384  O O   . ASN A 1 47  ? 14.542  12.076 27.454 1.000 19.844 0 45  ASN AAA O   1 ? 
ATOM   385  C CB  . ASN A 1 47  ? 14.973  10.511 24.651 1.000 20.834 0 45  ASN AAA CB  1 ? 
ATOM   386  C CG  . ASN A 1 47  ? 15.722  9.414  23.922 1.000 23.082 0 45  ASN AAA CG  1 ? 
ATOM   387  O OD1 . ASN A 1 47  ? 16.325  8.533  24.521 1.000 20.908 0 45  ASN AAA OD1 1 ? 
ATOM   388  N ND2 . ASN A 1 47  ? 15.696  9.467  22.604 1.000 25.291 0 45  ASN AAA ND2 1 ? 
ATOM   389  N N   . ASN A 1 48  ? 12.565  11.536 26.506 1.000 16.791 0 46  ASN AAA N   1 ? 
ATOM   390  C CA  . ASN A 1 48  ? 11.785  12.657 27.093 1.000 17.042 0 46  ASN AAA CA  1 ? 
ATOM   391  C C   . ASN A 1 48  ? 11.821  12.572 28.629 1.000 18.667 0 46  ASN AAA C   1 ? 
ATOM   392  O O   . ASN A 1 48  ? 12.072  13.631 29.289 1.000 17.665 0 46  ASN AAA O   1 ? 
ATOM   393  C CB  . ASN A 1 48  ? 10.351  12.673 26.551 1.000 16.680 0 46  ASN AAA CB  1 ? 
ATOM   394  C CG  . ASN A 1 48  ? 10.274  13.151 25.109 1.000 15.737 0 46  ASN AAA CG  1 ? 
ATOM   395  O OD1 . ASN A 1 48  ? 11.221  13.734 24.587 1.000 16.005 0 46  ASN AAA OD1 1 ? 
ATOM   396  N ND2 . ASN A 1 48  ? 9.158   12.897 24.454 1.000 14.613 0 46  ASN AAA ND2 1 ? 
ATOM   397  N N   . LYS A 1 49  ? 11.625  11.375 29.189 1.000 17.975 0 47  LYS AAA N   1 ? 
ATOM   398  C CA  . LYS A 1 49  ? 11.655  11.177 30.658 1.000 21.516 0 47  LYS AAA CA  1 ? 
ATOM   399  C C   . LYS A 1 49  ? 13.041  11.564 31.179 1.000 21.860 0 47  LYS AAA C   1 ? 
ATOM   400  O O   . LYS A 1 49  ? 13.109  12.303 32.179 1.000 20.901 0 47  LYS AAA O   1 ? 
ATOM   401  C CB  . LYS A 1 49  ? 11.311  9.737  31.036 1.000 25.469 0 47  LYS AAA CB  1 ? 
ATOM   402  C CG  . LYS A 1 49  ? 9.876   9.338  30.789 1.000 28.323 0 47  LYS AAA CG  1 ? 
ATOM   403  C CD  . LYS A 1 49  ? 9.653   7.839  30.947 1.000 33.743 0 47  LYS AAA CD  1 ? 
ATOM   404  C CE  . LYS A 1 49  ? 8.234   7.515  31.352 1.000 36.707 0 47  LYS AAA CE  1 ? 
ATOM   405  N NZ  . LYS A 1 49  ? 8.048   6.062  31.568 1.000 38.976 0 47  LYS AAA NZ  1 ? 
ATOM   406  N N   . ASN A 1 50  ? 14.102  11.141 30.493 1.000 23.218 0 48  ASN AAA N   1 ? 
ATOM   407  C CA  . ASN A 1 50  ? 15.501  11.407 30.924 1.000 24.468 0 48  ASN AAA CA  1 ? 
ATOM   408  C C   . ASN A 1 50  ? 15.793  12.901 30.879 1.000 24.335 0 48  ASN AAA C   1 ? 
ATOM   409  O O   . ASN A 1 50  ? 16.692  13.323 31.622 1.000 24.186 0 48  ASN AAA O   1 ? 
ATOM   410  C CB  . ASN A 1 50  ? 16.493  10.532 30.162 1.000 30.030 0 48  ASN AAA CB  1 ? 
ATOM   411  C CG  . ASN A 1 50  ? 16.261  9.076  30.520 1.000 34.153 0 48  ASN AAA CG  1 ? 
ATOM   412  O OD1 . ASN A 1 50  ? 16.153  8.216  29.662 1.000 51.482 0 48  ASN AAA OD1 1 ? 
ATOM   413  N ND2 . ASN A 1 50  ? 16.121  8.786  31.796 1.000 40.254 0 48  ASN AAA ND2 1 ? 
ATOM   414  N N   . ALA A 1 51  ? 15.065  13.662 30.052 1.000 21.421 0 49  ALA AAA N   1 ? 
ATOM   415  C CA  . ALA A 1 51  ? 15.253  15.120 29.875 1.000 20.979 0 49  ALA AAA CA  1 ? 
ATOM   416  C C   . ALA A 1 51  ? 14.213  15.917 30.678 1.000 19.205 0 49  ALA AAA C   1 ? 
ATOM   417  O O   . ALA A 1 51  ? 14.091  17.148 30.450 1.000 19.920 0 49  ALA AAA O   1 ? 
ATOM   418  C CB  . ALA A 1 51  ? 15.195  15.448 28.410 1.000 21.829 0 49  ALA AAA CB  1 ? 
ATOM   419  N N   . ASP A 1 52  ? 13.466  15.282 31.585 1.000 17.994 0 50  ASP AAA N   1 ? 
ATOM   420  C CA  . ASP A 1 52  ? 12.393  15.965 32.363 1.000 19.425 0 50  ASP AAA CA  1 ? 
ATOM   421  C C   . ASP A 1 52  ? 11.449  16.686 31.395 1.000 19.915 0 50  ASP AAA C   1 ? 
ATOM   422  O O   . ASP A 1 52  ? 10.926  17.771 31.747 1.000 18.964 0 50  ASP AAA O   1 ? 
ATOM   423  C CB  . ASP A 1 52  ? 12.972  16.938 33.394 1.000 20.993 0 50  ASP AAA CB  1 ? 
ATOM   424  C CG  . ASP A 1 52  ? 11.950  17.516 34.354 1.000 22.177 0 50  ASP AAA CG  1 ? 
ATOM   425  O OD1 . ASP A 1 52  ? 11.069  16.791 34.785 1.000 26.073 0 50  ASP AAA OD1 1 ? 
ATOM   426  O OD2 . ASP A 1 52  ? 12.007  18.718 34.611 1.000 23.804 0 50  ASP AAA OD2 1 ? 
ATOM   427  N N   . ASN A 1 53  ? 11.170  16.076 30.238 1.000 19.589 0 51  ASN AAA N   1 ? 
ATOM   428  C CA  . ASN A 1 53  ? 10.208  16.641 29.262 1.000 19.282 0 51  ASN AAA CA  1 ? 
ATOM   429  C C   . ASN A 1 53  ? 9.254   15.532 28.806 1.000 19.612 0 51  ASN AAA C   1 ? 
ATOM   430  O O   . ASN A 1 53  ? 9.043   15.392 27.568 1.000 16.282 0 51  ASN AAA O   1 ? 
ATOM   431  C CB  . ASN A 1 53  ? 10.906  17.331 28.084 1.000 19.772 0 51  ASN AAA CB  1 ? 
ATOM   432  C CG  . ASN A 1 53  ? 9.913   18.134 27.262 1.000 20.178 0 51  ASN AAA CG  1 ? 
ATOM   433  O OD1 . ASN A 1 53  ? 9.084   18.810 27.829 1.000 22.594 0 51  ASN AAA OD1 1 ? 
ATOM   434  N ND2 . ASN A 1 53  ? 9.927   18.019 25.945 1.000 19.222 0 51  ASN AAA ND2 1 ? 
ATOM   435  N N   . ASP A 1 54  ? 8.693   14.767 29.746 1.000 17.772 0 52  ASP AAA N   1 ? 
ATOM   436  C CA  . ASP A 1 54  ? 7.750   13.677 29.377 1.000 19.922 0 52  ASP AAA CA  1 ? 
ATOM   437  C C   . ASP A 1 54  ? 6.393   14.306 29.071 1.000 19.582 0 52  ASP AAA C   1 ? 
ATOM   438  O O   . ASP A 1 54  ? 5.642   14.492 29.992 1.000 21.460 0 52  ASP AAA O   1 ? 
ATOM   439  C CB  . ASP A 1 54  ? 7.646   12.650 30.488 1.000 21.014 0 52  ASP AAA CB  1 ? 
ATOM   440  C CG  . ASP A 1 54  ? 6.970   11.350 30.107 1.000 22.134 0 52  ASP AAA CG  1 ? 
ATOM   441  O OD1 . ASP A 1 54  ? 6.715   11.102 28.891 1.000 20.839 0 52  ASP AAA OD1 1 ? 
ATOM   442  O OD2 . ASP A 1 54  ? 6.724   10.597 31.046 1.000 23.297 0 52  ASP AAA OD2 1 ? 
ATOM   443  N N   . TRP A 1 55  ? 6.120   14.629 27.814 1.000 17.557 0 53  TRP AAA N   1 ? 
ATOM   444  C CA  . TRP A 1 55  ? 5.058   15.587 27.466 1.000 17.505 0 53  TRP AAA CA  1 ? 
ATOM   445  C C   . TRP A 1 55  ? 3.892   14.897 26.753 1.000 16.888 0 53  TRP AAA C   1 ? 
ATOM   446  O O   . TRP A 1 55  ? 2.941   15.598 26.422 1.000 16.143 0 53  TRP AAA O   1 ? 
ATOM   447  C CB  . TRP A 1 55  ? 5.626   16.734 26.643 1.000 16.913 0 53  TRP AAA CB  1 ? 
ATOM   448  C CG  . TRP A 1 55  ? 6.076   16.395 25.256 1.000 16.984 0 53  TRP AAA CG  1 ? 
ATOM   449  C CD1 . TRP A 1 55  ? 7.313   15.975 24.861 1.000 17.027 0 53  TRP AAA CD1 1 ? 
ATOM   450  C CD2 . TRP A 1 55  ? 5.322   16.571 24.047 1.000 16.617 0 53  TRP AAA CD2 1 ? 
ATOM   451  N NE1 . TRP A 1 55  ? 7.347   15.802 23.500 1.000 16.822 0 53  TRP AAA NE1 1 ? 
ATOM   452  C CE2 . TRP A 1 55  ? 6.153   16.189 22.973 1.000 16.553 0 53  TRP AAA CE2 1 ? 
ATOM   453  C CE3 . TRP A 1 55  ? 4.026   17.014 23.778 1.000 16.938 0 53  TRP AAA CE3 1 ? 
ATOM   454  C CZ2 . TRP A 1 55  ? 5.724   16.242 21.647 1.000 17.513 0 53  TRP AAA CZ2 1 ? 
ATOM   455  C CZ3 . TRP A 1 55  ? 3.598   17.038 22.477 1.000 16.490 0 53  TRP AAA CZ3 1 ? 
ATOM   456  C CH2 . TRP A 1 55  ? 4.430   16.654 21.433 1.000 16.507 0 53  TRP AAA CH2 1 ? 
ATOM   457  N N   . PHE A 1 56  ? 3.909   13.579 26.552 1.000 17.608 0 54  PHE AAA N   1 ? 
ATOM   458  C CA  . PHE A 1 56  ? 2.730   12.937 25.910 1.000 18.323 0 54  PHE AAA CA  1 ? 
ATOM   459  C C   . PHE A 1 56  ? 2.690   11.429 26.189 1.000 18.898 0 54  PHE AAA C   1 ? 
ATOM   460  O O   . PHE A 1 56  ? 3.733   10.820 26.458 1.000 16.511 0 54  PHE AAA O   1 ? 
ATOM   461  C CB  . PHE A 1 56  ? 2.742   13.184 24.390 1.000 18.402 0 54  PHE AAA CB  1 ? 
ATOM   462  C CG  . PHE A 1 56  ? 3.725   12.317 23.635 1.000 18.480 0 54  PHE AAA CG  1 ? 
ATOM   463  C CD1 . PHE A 1 56  ? 3.340   11.067 23.142 1.000 18.994 0 54  PHE AAA CD1 1 ? 
ATOM   464  C CD2 . PHE A 1 56  ? 5.059   12.688 23.523 1.000 19.021 0 54  PHE AAA CD2 1 ? 
ATOM   465  C CE1 . PHE A 1 56  ? 4.262   10.248 22.502 1.000 19.319 0 54  PHE AAA CE1 1 ? 
ATOM   466  C CE2 . PHE A 1 56  ? 5.980   11.848 22.917 1.000 19.924 0 54  PHE AAA CE2 1 ? 
ATOM   467  C CZ  . PHE A 1 56  ? 5.575   10.653 22.368 1.000 20.870 0 54  PHE AAA CZ  1 ? 
ATOM   468  N N   . ARG A 1 57  ? 1.495   10.877 26.021 1.000 19.321 0 55  ARG AAA N   1 ? 
ATOM   469  C CA  . ARG A 1 57  ? 1.206   9.419  25.930 1.000 21.804 0 55  ARG AAA CA  1 ? 
ATOM   470  C C   . ARG A 1 57  ? 0.317   9.184  24.712 1.000 22.131 0 55  ARG AAA C   1 ? 
ATOM   471  O O   . ARG A 1 57  ? -0.590  10.006 24.459 1.000 18.848 0 55  ARG AAA O   1 ? 
ATOM   472  C CB  . ARG A 1 57  ? 0.486   8.958  27.198 1.000 23.958 0 55  ARG AAA CB  1 ? 
ATOM   473  C CG  . ARG A 1 57  ? 1.377   8.916  28.430 1.000 26.066 0 55  ARG AAA CG  1 ? 
ATOM   474  C CD  . ARG A 1 57  ? 2.292   7.699  28.414 1.000 29.019 0 55  ARG AAA CD  1 ? 
ATOM   475  N NE  . ARG A 1 57  ? 3.206   7.701  29.550 1.000 32.725 0 55  ARG AAA NE  1 ? 
ATOM   476  C CZ  . ARG A 1 57  ? 4.283   8.478  29.641 1.000 34.784 0 55  ARG AAA CZ  1 ? 
ATOM   477  N NH1 . ARG A 1 57  ? 4.587   9.336  28.673 1.000 27.858 0 55  ARG AAA NH1 1 ? 
ATOM   478  N NH2 . ARG A 1 57  ? 5.057   8.385  30.714 1.000 35.233 0 55  ARG AAA NH2 1 ? 
ATOM   479  N N   . LEU A 1 58  ? 0.573   8.106  23.976 1.000 21.938 0 56  LEU AAA N   1 ? 
ATOM   480  C CA  . LEU A 1 58  ? -0.265  7.722  22.815 1.000 20.754 0 56  LEU AAA CA  1 ? 
ATOM   481  C C   . LEU A 1 58  ? -0.527  6.224  22.913 1.000 23.641 0 56  LEU AAA C   1 ? 
ATOM   482  O O   . LEU A 1 58  ? 0.392   5.497  23.313 1.000 20.233 0 56  LEU AAA O   1 ? 
ATOM   483  C CB  . LEU A 1 58  ? 0.449   8.042  21.506 1.000 21.151 0 56  LEU AAA CB  1 ? 
ATOM   484  C CG  . LEU A 1 58  ? 0.285   9.456  20.952 1.000 23.406 0 56  LEU AAA CG  1 ? 
ATOM   485  C CD1 . LEU A 1 58  ? 1.062   9.594  19.639 1.000 25.059 0 56  LEU AAA CD1 1 ? 
ATOM   486  C CD2 . LEU A 1 58  ? -1.181  9.806  20.743 1.000 23.827 0 56  LEU AAA CD2 1 ? 
ATOM   487  N N   . GLU A 1 59  ? -1.724  5.808  22.511 1.000 23.582 0 57  GLU AAA N   1 ? 
ATOM   488  C CA  . GLU A 1 59  ? -2.013  4.395  22.202 1.000 24.351 0 57  GLU AAA CA  1 ? 
ATOM   489  C C   . GLU A 1 59  ? -2.704  4.350  20.839 1.000 23.138 0 57  GLU AAA C   1 ? 
ATOM   490  O O   . GLU A 1 59  ? -3.191  5.402  20.356 1.000 20.518 0 57  GLU AAA O   1 ? 
ATOM   491  C CB  . GLU A 1 59  ? -2.863  3.756  23.301 1.000 27.788 0 57  GLU AAA CB  1 ? 
ATOM   492  C CG  . GLU A 1 59  ? -4.205  4.412  23.522 1.000 29.822 0 57  GLU AAA CG  1 ? 
ATOM   493  C CD  . GLU A 1 59  ? -4.952  3.744  24.666 1.000 36.528 0 57  GLU AAA CD  1 ? 
ATOM   494  O OE1 . GLU A 1 59  ? -5.552  2.646  24.463 1.000 34.711 0 57  GLU AAA OE1 1 ? 
ATOM   495  O OE2 . GLU A 1 59  ? -4.894  4.297  25.774 1.000 34.563 0 57  GLU AAA OE2 1 ? 
ATOM   496  N N   . SER A 1 60  ? -2.743  3.168  20.237 1.000 20.879 0 58  SER AAA N   1 ? 
ATOM   497  C CA  . SER A 1 60  ? -3.457  2.953  18.968 1.000 20.171 0 58  SER AAA CA  1 ? 
ATOM   498  C C   . SER A 1 60  ? -4.584  1.959  19.214 1.000 22.431 0 58  SER AAA C   1 ? 
ATOM   499  O O   . SER A 1 60  ? -4.543  1.254  20.246 1.000 21.042 0 58  SER AAA O   1 ? 
ATOM   500  C CB  . SER A 1 60  ? -2.531  2.500  17.899 1.000 21.402 0 58  SER AAA CB  1 ? 
ATOM   501  O OG  . SER A 1 60  ? -2.338  1.094  17.936 1.000 21.627 0 58  SER AAA OG  1 ? 
ATOM   502  N N   . ASN A 1 61  ? -5.531  1.897  18.290 1.000 19.876 0 59  ASN AAA N   1 ? 
ATOM   503  C CA  . ASN A 1 61  ? -6.513  0.790  18.230 1.000 19.795 0 59  ASN AAA CA  1 ? 
ATOM   504  C C   . ASN A 1 61  ? -5.788  -0.503 17.809 1.000 20.310 0 59  ASN AAA C   1 ? 
ATOM   505  O O   . ASN A 1 61  ? -4.532  -0.523 17.613 1.000 17.615 0 59  ASN AAA O   1 ? 
ATOM   506  C CB  . ASN A 1 61  ? -7.700  1.161  17.342 1.000 20.143 0 59  ASN AAA CB  1 ? 
ATOM   507  C CG  . ASN A 1 61  ? -7.323  1.389  15.897 1.000 20.533 0 59  ASN AAA CG  1 ? 
ATOM   508  O OD1 . ASN A 1 61  ? -6.147  1.347  15.527 1.000 18.406 0 59  ASN AAA OD1 1 ? 
ATOM   509  N ND2 . ASN A 1 61  ? -8.314  1.722  15.085 1.000 21.563 0 59  ASN AAA ND2 1 ? 
ATOM   510  N N   . LYS A 1 62  ? -6.540  -1.590 17.730 1.000 19.639 0 60  LYS AAA N   1 ? 
ATOM   511  C CA  . LYS A 1 62  ? -5.953  -2.922 17.464 1.000 22.065 0 60  LYS AAA CA  1 ? 
ATOM   512  C C   . LYS A 1 62  ? -5.167  -2.862 16.148 1.000 20.715 0 60  LYS AAA C   1 ? 
ATOM   513  O O   . LYS A 1 62  ? -4.038  -3.351 16.115 1.000 22.653 0 60  LYS AAA O   1 ? 
ATOM   514  C CB  . LYS A 1 62  ? -7.056  -3.992 17.426 1.000 23.912 0 60  LYS AAA CB  1 ? 
ATOM   515  C CG  . LYS A 1 62  ? -6.567  -5.424 17.652 1.000 28.942 0 60  LYS AAA CG  1 ? 
ATOM   516  C CD  . LYS A 1 62  ? -5.305  -5.808 16.899 1.000 32.212 0 60  LYS AAA CD  1 ? 
ATOM   517  N N   . GLU A 1 63  ? -5.732  -2.265 15.104 1.000 20.724 0 61  GLU AAA N   1 ? 
ATOM   518  C CA  . GLU A 1 63  ? -5.155  -2.300 13.725 1.000 21.294 0 61  GLU AAA CA  1 ? 
ATOM   519  C C   . GLU A 1 63  ? -4.142  -1.168 13.505 1.000 21.537 0 61  GLU AAA C   1 ? 
ATOM   520  O O   . GLU A 1 63  ? -3.549  -1.124 12.421 1.000 20.500 0 61  GLU AAA O   1 ? 
ATOM   521  C CB  . GLU A 1 63  ? -6.271  -2.166 12.692 1.000 22.822 0 61  GLU AAA CB  1 ? 
ATOM   522  C CG  . GLU A 1 63  ? -7.193  -3.359 12.691 1.000 27.089 0 61  GLU AAA CG  1 ? 
ATOM   523  C CD  . GLU A 1 63  ? -8.319  -3.359 11.674 1.000 33.891 0 61  GLU AAA CD  1 ? 
ATOM   524  O OE1 . GLU A 1 63  ? -8.741  -2.270 11.222 1.000 34.996 0 61  GLU AAA OE1 1 ? 
ATOM   525  O OE2 . GLU A 1 63  ? -8.795  -4.464 11.359 1.000 41.442 0 61  GLU AAA OE2 1 ? 
ATOM   526  N N   . GLY A 1 64  ? -3.989  -0.266 14.475 1.000 20.587 0 62  GLY AAA N   1 ? 
ATOM   527  C CA  . GLY A 1 64  ? -3.066  0.879  14.405 1.000 21.768 0 62  GLY AAA CA  1 ? 
ATOM   528  C C   . GLY A 1 64  ? -3.529  1.989  13.462 1.000 20.045 0 62  GLY AAA C   1 ? 
ATOM   529  O O   . GLY A 1 64  ? -2.654  2.747  13.022 1.000 20.481 0 62  GLY AAA O   1 ? 
ATOM   530  N N   . THR A 1 65  ? -4.835  2.090  13.171 1.000 20.118 0 63  THR AAA N   1 ? 
ATOM   531  C CA  . THR A 1 65  ? -5.435  3.059  12.208 1.000 19.924 0 63  THR AAA CA  1 ? 
ATOM   532  C C   . THR A 1 65  ? -5.914  4.323  12.930 1.000 18.593 0 63  THR AAA C   1 ? 
ATOM   533  O O   . THR A 1 65  ? -6.141  5.340  12.257 1.000 20.715 0 63  THR AAA O   1 ? 
ATOM   534  C CB  . THR A 1 65  ? -6.613  2.423  11.467 1.000 20.853 0 63  THR AAA CB  1 ? 
ATOM   535  O OG1 . THR A 1 65  ? -7.567  2.023  12.445 1.000 21.344 0 63  THR AAA OG1 1 ? 
ATOM   536  C CG2 . THR A 1 65  ? -6.195  1.234  10.641 1.000 23.569 0 63  THR AAA CG2 1 ? 
ATOM   537  N N   . ARG A 1 66  ? -6.176  4.230  14.229 1.000 18.053 0 64  ARG AAA N   1 ? 
ATOM   538  C CA  . ARG A 1 66  ? -6.635  5.371  15.044 1.000 19.047 0 64  ARG AAA CA  1 ? 
ATOM   539  C C   . ARG A 1 66  ? -5.727  5.469  16.261 1.000 18.448 0 64  ARG AAA C   1 ? 
ATOM   540  O O   . ARG A 1 66  ? -5.511  4.428  16.929 1.000 18.008 0 64  ARG AAA O   1 ? 
ATOM   541  C CB  . ARG A 1 66  ? -8.113  5.212  15.429 1.000 21.272 0 64  ARG AAA CB  1 ? 
ATOM   542  C CG  . ARG A 1 66  ? -8.502  5.969  16.687 1.000 24.642 0 64  ARG AAA CG  1 ? 
ATOM   543  C CD  . ARG A 1 66  ? -8.527  7.477  16.488 1.000 27.769 0 64  ARG AAA CD  1 ? 
ATOM   544  N NE  . ARG A 1 66  ? -9.473  7.880  15.453 1.000 30.857 0 64  ARG AAA NE  1 ? 
ATOM   545  C CZ  . ARG A 1 66  ? -10.608 8.565  15.658 1.000 35.721 0 64  ARG AAA CZ  1 ? 
ATOM   546  N NH1 . ARG A 1 66  ? -11.001 8.906  16.879 1.000 32.657 0 64  ARG AAA NH1 1 ? 
ATOM   547  N NH2 . ARG A 1 66  ? -11.354 8.913  14.617 1.000 35.812 0 64  ARG AAA NH2 1 ? 
ATOM   548  N N   . TRP A 1 67  ? -5.165  6.659  16.487 1.000 16.526 0 65  TRP AAA N   1 ? 
ATOM   549  C CA  . TRP A 1 67  ? -4.278  6.923  17.637 1.000 16.285 0 65  TRP AAA CA  1 ? 
ATOM   550  C C   . TRP A 1 67  ? -4.933  7.968  18.530 1.000 16.623 0 65  TRP AAA C   1 ? 
ATOM   551  O O   . TRP A 1 67  ? -5.590  8.871  18.016 1.000 16.475 0 65  TRP AAA O   1 ? 
ATOM   552  C CB  . TRP A 1 67  ? -2.872  7.343  17.189 1.000 16.096 0 65  TRP AAA CB  1 ? 
ATOM   553  C CG  . TRP A 1 67  ? -2.138  6.281  16.446 1.000 16.665 0 65  TRP AAA CG  1 ? 
ATOM   554  C CD1 . TRP A 1 67  ? -2.412  5.767  15.213 1.000 17.240 0 65  TRP AAA CD1 1 ? 
ATOM   555  C CD2 . TRP A 1 67  ? -1.019  5.542  16.949 1.000 17.067 0 65  TRP AAA CD2 1 ? 
ATOM   556  N NE1 . TRP A 1 67  ? -1.517  4.770  14.909 1.000 17.329 0 65  TRP AAA NE1 1 ? 
ATOM   557  C CE2 . TRP A 1 67  ? -0.678  4.589  15.970 1.000 17.388 0 65  TRP AAA CE2 1 ? 
ATOM   558  C CE3 . TRP A 1 67  ? -0.327  5.559  18.154 1.000 18.306 0 65  TRP AAA CE3 1 ? 
ATOM   559  C CZ2 . TRP A 1 67  ? 0.369   3.695  16.147 1.000 19.784 0 65  TRP AAA CZ2 1 ? 
ATOM   560  C CZ3 . TRP A 1 67  ? 0.698   4.658  18.335 1.000 18.191 0 65  TRP AAA CZ3 1 ? 
ATOM   561  C CH2 . TRP A 1 67  ? 1.062   3.766  17.336 1.000 17.937 0 65  TRP AAA CH2 1 ? 
ATOM   562  N N   . PHE A 1 68  ? -4.729  7.854  19.835 1.000 17.856 0 66  PHE AAA N   1 ? 
ATOM   563  C CA  . PHE A 1 68  ? -5.258  8.808  20.827 1.000 19.324 0 66  PHE AAA CA  1 ? 
ATOM   564  C C   . PHE A 1 68  ? -4.426  8.726  22.109 1.000 18.952 0 66  PHE AAA C   1 ? 
ATOM   565  O O   . PHE A 1 68  ? -3.712  7.743  22.372 1.000 19.591 0 66  PHE AAA O   1 ? 
ATOM   566  C CB  . PHE A 1 68  ? -6.751  8.551  21.062 1.000 22.924 0 66  PHE AAA CB  1 ? 
ATOM   567  C CG  . PHE A 1 68  ? -7.033  7.198  21.643 1.000 26.960 0 66  PHE AAA CG  1 ? 
ATOM   568  C CD1 . PHE A 1 68  ? -7.178  7.030  23.007 1.000 29.130 0 66  PHE AAA CD1 1 ? 
ATOM   569  C CD2 . PHE A 1 68  ? -7.126  6.090  20.819 1.000 30.113 0 66  PHE AAA CD2 1 ? 
ATOM   570  C CE1 . PHE A 1 68  ? -7.449  5.777  23.537 1.000 31.635 0 66  PHE AAA CE1 1 ? 
ATOM   571  C CE2 . PHE A 1 68  ? -7.367  4.834  21.353 1.000 32.783 0 66  PHE AAA CE2 1 ? 
ATOM   572  C CZ  . PHE A 1 68  ? -7.543  4.684  22.707 1.000 32.003 0 66  PHE AAA CZ  1 ? 
ATOM   573  N N   . GLY A 1 69  ? -4.517  9.791  22.888 1.000 19.968 0 67  GLY AAA N   1 ? 
ATOM   574  C CA  . GLY A 1 69  ? -3.884  9.898  24.206 1.000 20.358 0 67  GLY AAA CA  1 ? 
ATOM   575  C C   . GLY A 1 69  ? -3.934  11.341 24.677 1.000 19.708 0 67  GLY AAA C   1 ? 
ATOM   576  O O   . GLY A 1 69  ? -4.986  12.022 24.504 1.000 17.542 0 67  GLY AAA O   1 ? 
ATOM   577  N N   . LYS A 1 70  ? -2.824  11.822 25.200 1.000 18.911 0 68  LYS AAA N   1 ? 
ATOM   578  C CA  . LYS A 1 70  ? -2.799  13.119 25.922 1.000 20.903 0 68  LYS AAA CA  1 ? 
ATOM   579  C C   . LYS A 1 70  ? -1.437  13.756 25.732 1.000 18.751 0 68  LYS AAA C   1 ? 
ATOM   580  O O   . LYS A 1 70  ? -0.444  13.020 25.560 1.000 19.915 0 68  LYS AAA O   1 ? 
ATOM   581  C CB  . LYS A 1 70  ? -3.030  12.884 27.410 1.000 24.536 0 68  LYS AAA CB  1 ? 
ATOM   582  C CG  . LYS A 1 70  ? -4.263  12.048 27.738 1.000 29.067 0 68  LYS AAA CG  1 ? 
ATOM   583  C CD  . LYS A 1 70  ? -4.491  11.893 29.229 1.000 31.933 0 68  LYS AAA CD  1 ? 
ATOM   584  C CE  . LYS A 1 70  ? -5.957  11.716 29.597 1.000 36.004 0 68  LYS AAA CE  1 ? 
ATOM   585  N NZ  . LYS A 1 70  ? -6.105  11.123 30.946 1.000 38.494 0 68  LYS AAA NZ  1 ? 
ATOM   586  N N   . CYS A 1 71  ? -1.421  15.075 25.703 1.000 18.886 0 69  CYS AAA N   1 ? 
ATOM   587  C CA  . CYS A 1 71  ? -0.170  15.860 25.800 1.000 19.301 0 69  CYS AAA CA  1 ? 
ATOM   588  C C   . CYS A 1 71  ? -0.300  16.803 26.995 1.000 19.909 0 69  CYS AAA C   1 ? 
ATOM   589  O O   . CYS A 1 71  ? -1.441  17.143 27.392 1.000 21.024 0 69  CYS AAA O   1 ? 
ATOM   590  C CB  . CYS A 1 71  ? 0.147   16.576 24.489 1.000 18.529 0 69  CYS AAA CB  1 ? 
ATOM   591  S SG  . CYS A 1 71  ? -0.996  17.881 23.990 1.000 18.815 0 69  CYS AAA SG  1 ? 
ATOM   592  N N   . TRP A 1 72  ? 0.838   17.215 27.536 1.000 20.720 0 70  TRP AAA N   1 ? 
ATOM   593  C CA  . TRP A 1 72  ? 0.913   18.134 28.685 1.000 21.053 0 70  TRP AAA CA  1 ? 
ATOM   594  C C   . TRP A 1 72  ? 1.807   19.274 28.242 1.000 22.441 0 70  TRP AAA C   1 ? 
ATOM   595  O O   . TRP A 1 72  ? 2.815   18.990 27.541 1.000 20.737 0 70  TRP AAA O   1 ? 
ATOM   596  C CB  . TRP A 1 72  ? 1.478   17.414 29.909 1.000 22.250 0 70  TRP AAA CB  1 ? 
ATOM   597  C CG  . TRP A 1 72  ? 0.559   16.363 30.434 1.000 25.235 0 70  TRP AAA CG  1 ? 
ATOM   598  C CD1 . TRP A 1 72  ? -0.511  16.546 31.269 1.000 26.247 0 70  TRP AAA CD1 1 ? 
ATOM   599  C CD2 . TRP A 1 72  ? 0.574   14.963 30.096 1.000 27.164 0 70  TRP AAA CD2 1 ? 
ATOM   600  N NE1 . TRP A 1 72  ? -1.142  15.351 31.502 1.000 27.666 0 70  TRP AAA NE1 1 ? 
ATOM   601  C CE2 . TRP A 1 72  ? -0.504  14.360 30.791 1.000 27.485 0 70  TRP AAA CE2 1 ? 
ATOM   602  C CE3 . TRP A 1 72  ? 1.413   14.158 29.313 1.000 27.373 0 70  TRP AAA CE3 1 ? 
ATOM   603  C CZ2 . TRP A 1 72  ? -0.765  12.988 30.706 1.000 27.385 0 70  TRP AAA CZ2 1 ? 
ATOM   604  C CZ3 . TRP A 1 72  ? 1.166   12.807 29.243 1.000 28.218 0 70  TRP AAA CZ3 1 ? 
ATOM   605  C CH2 . TRP A 1 72  ? 0.077   12.236 29.910 1.000 29.019 0 70  TRP AAA CH2 1 ? 
ATOM   606  N N   . TYR A 1 73  ? 1.462   20.489 28.627 1.000 20.639 0 71  TYR AAA N   1 ? 
ATOM   607  C CA  . TYR A 1 73  ? 2.291   21.683 28.353 1.000 19.471 0 71  TYR AAA CA  1 ? 
ATOM   608  C C   . TYR A 1 73  ? 2.481   22.478 29.651 1.000 19.579 0 71  TYR AAA C   1 ? 
ATOM   609  O O   . TYR A 1 73  ? 1.477   22.758 30.339 1.000 17.043 0 71  TYR AAA O   1 ? 
ATOM   610  C CB  . TYR A 1 73  ? 1.650   22.519 27.259 1.000 19.878 0 71  TYR AAA CB  1 ? 
ATOM   611  C CG  . TYR A 1 73  ? 2.569   23.636 26.877 1.000 18.970 0 71  TYR AAA CG  1 ? 
ATOM   612  C CD1 . TYR A 1 73  ? 3.626   23.409 26.002 1.000 19.971 0 71  TYR AAA CD1 1 ? 
ATOM   613  C CD2 . TYR A 1 73  ? 2.480   24.866 27.492 1.000 20.393 0 71  TYR AAA CD2 1 ? 
ATOM   614  C CE1 . TYR A 1 73  ? 4.530   24.410 25.704 1.000 20.196 0 71  TYR AAA CE1 1 ? 
ATOM   615  C CE2 . TYR A 1 73  ? 3.392   25.877 27.222 1.000 20.578 0 71  TYR AAA CE2 1 ? 
ATOM   616  C CZ  . TYR A 1 73  ? 4.421   25.645 26.324 1.000 20.881 0 71  TYR AAA CZ  1 ? 
ATOM   617  O OH  . TYR A 1 73  ? 5.311   26.653 26.054 1.000 21.007 0 71  TYR AAA OH  1 ? 
ATOM   618  N N   . ILE A 1 74  ? 3.735   22.798 30.006 1.000 19.204 0 72  ILE AAA N   1 ? 
ATOM   619  C CA  . ILE A 1 74  ? 4.016   23.523 31.270 1.000 21.922 0 72  ILE AAA CA  1 ? 
ATOM   620  C C   . ILE A 1 74  ? 4.220   24.997 30.928 1.000 20.505 0 72  ILE AAA C   1 ? 
ATOM   621  O O   . ILE A 1 74  ? 5.043   25.297 30.068 1.000 20.965 0 72  ILE AAA O   1 ? 
ATOM   622  C CB  . ILE A 1 74  ? 5.178   22.862 32.033 1.000 27.077 0 72  ILE AAA CB  1 ? 
ATOM   623  C CG1 . ILE A 1 74  ? 4.794   21.428 32.424 1.000 30.147 0 72  ILE AAA CG1 1 ? 
ATOM   624  C CG2 . ILE A 1 74  ? 5.551   23.704 33.246 1.000 28.133 0 72  ILE AAA CG2 1 ? 
ATOM   625  C CD1 . ILE A 1 74  ? 5.941   20.458 32.408 1.000 34.300 0 72  ILE AAA CD1 1 ? 
ATOM   626  N N   . HIS A 1 75  ? 3.464   25.885 31.563 1.000 19.685 0 73  HIS AAA N   1 ? 
ATOM   627  C CA  . HIS A 1 75  ? 3.606   27.351 31.398 1.000 19.906 0 73  HIS AAA CA  1 ? 
ATOM   628  C C   . HIS A 1 75  ? 3.615   28.014 32.774 1.000 20.793 0 73  HIS AAA C   1 ? 
ATOM   629  O O   . HIS A 1 75  ? 2.606   27.845 33.529 1.000 17.981 0 73  HIS AAA O   1 ? 
ATOM   630  C CB  . HIS A 1 75  ? 2.472   27.939 30.580 1.000 18.602 0 73  HIS AAA CB  1 ? 
ATOM   631  C CG  . HIS A 1 75  ? 2.757   29.321 30.117 1.000 19.124 0 73  HIS AAA CG  1 ? 
ATOM   632  N ND1 . HIS A 1 75  ? 2.076   30.414 30.596 1.000 21.531 0 73  HIS AAA ND1 1 ? 
ATOM   633  C CD2 . HIS A 1 75  ? 3.697   29.806 29.281 1.000 19.388 0 73  HIS AAA CD2 1 ? 
ATOM   634  C CE1 . HIS A 1 75  ? 2.535   31.507 30.022 1.000 19.746 0 73  HIS AAA CE1 1 ? 
ATOM   635  N NE2 . HIS A 1 75  ? 3.536   31.167 29.241 1.000 20.402 0 73  HIS AAA NE2 1 ? 
ATOM   636  N N   . ASP A 1 76  ? 4.704   28.711 33.091 1.000 19.558 0 74  ASP AAA N   1 ? 
ATOM   637  C CA  . ASP A 1 76  ? 4.868   29.348 34.424 1.000 20.078 0 74  ASP AAA CA  1 ? 
ATOM   638  C C   . ASP A 1 76  ? 4.645   28.290 35.521 1.000 19.851 0 74  ASP AAA C   1 ? 
ATOM   639  O O   . ASP A 1 76  ? 3.968   28.589 36.519 1.000 19.911 0 74  ASP AAA O   1 ? 
ATOM   640  C CB  . ASP A 1 76  ? 3.949   30.569 34.529 1.000 20.588 0 74  ASP AAA CB  1 ? 
ATOM   641  C CG  . ASP A 1 76  ? 4.248   31.693 33.530 1.000 21.256 0 74  ASP AAA CG  1 ? 
ATOM   642  O OD1 . ASP A 1 76  ? 5.345   31.713 32.975 1.000 22.743 0 74  ASP AAA OD1 1 ? 
ATOM   643  O OD2 . ASP A 1 76  ? 3.352   32.523 33.265 1.000 21.723 0 74  ASP AAA OD2 1 ? 
ATOM   644  N N   . LEU A 1 77  ? 5.181   27.074 35.310 1.000 19.357 0 75  LEU AAA N   1 ? 
ATOM   645  C CA  . LEU A 1 77  ? 5.240   25.930 36.252 1.000 19.737 0 75  LEU AAA CA  1 ? 
ATOM   646  C C   . LEU A 1 77  ? 3.874   25.265 36.421 1.000 19.980 0 75  LEU AAA C   1 ? 
ATOM   647  O O   . LEU A 1 77  ? 3.821   24.277 37.130 1.000 23.845 0 75  LEU AAA O   1 ? 
ATOM   648  C CB  . LEU A 1 77  ? 5.816   26.363 37.612 1.000 20.570 0 75  LEU AAA CB  1 ? 
ATOM   649  C CG  . LEU A 1 77  ? 7.309   26.684 37.642 1.000 20.419 0 75  LEU AAA CG  1 ? 
ATOM   650  C CD1 . LEU A 1 77  ? 7.724   27.077 39.032 1.000 21.477 0 75  LEU AAA CD1 1 ? 
ATOM   651  C CD2 . LEU A 1 77  ? 8.169   25.515 37.169 1.000 21.925 0 75  LEU AAA CD2 1 ? 
ATOM   652  N N   . LEU A 1 78  ? 2.816   25.750 35.785 1.000 20.080 0 76  LEU AAA N   1 ? 
ATOM   653  C CA  . LEU A 1 78  ? 1.487   25.089 35.804 1.000 20.998 0 76  LEU AAA CA  1 ? 
ATOM   654  C C   . LEU A 1 78  ? 1.393   24.131 34.606 1.000 22.609 0 76  LEU AAA C   1 ? 
ATOM   655  O O   . LEU A 1 78  ? 1.845   24.506 33.514 1.000 20.152 0 76  LEU AAA O   1 ? 
ATOM   656  C CB  . LEU A 1 78  ? 0.407   26.160 35.741 1.000 20.954 0 76  LEU AAA CB  1 ? 
ATOM   657  C CG  . LEU A 1 78  ? 0.238   27.010 36.994 1.000 20.925 0 76  LEU AAA CG  1 ? 
ATOM   658  C CD1 . LEU A 1 78  ? -0.864  28.022 36.767 1.000 21.495 0 76  LEU AAA CD1 1 ? 
ATOM   659  C CD2 . LEU A 1 78  ? -0.052  26.129 38.197 1.000 22.042 0 76  LEU AAA CD2 1 ? 
ATOM   660  N N   . LYS A 1 79  ? 0.819   22.946 34.812 1.000 22.634 0 77  LYS AAA N   1 ? 
ATOM   661  C CA  . LYS A 1 79  ? 0.784   21.890 33.764 1.000 24.676 0 77  LYS AAA CA  1 ? 
ATOM   662  C C   . LYS A 1 79  ? -0.635  21.801 33.200 1.000 25.359 0 77  LYS AAA C   1 ? 
ATOM   663  O O   . LYS A 1 79  ? -1.586  21.651 34.003 1.000 25.672 0 77  LYS AAA O   1 ? 
ATOM   664  C CB  . LYS A 1 79  ? 1.277   20.550 34.315 1.000 27.128 0 77  LYS AAA CB  1 ? 
ATOM   665  C CG  . LYS A 1 79  ? 0.994   19.364 33.389 1.000 27.583 0 77  LYS AAA CG  1 ? 
ATOM   666  C CD  . LYS A 1 79  ? 1.886   18.164 33.637 1.000 29.951 0 77  LYS AAA CD  1 ? 
ATOM   667  C CE  . LYS A 1 79  ? 1.820   17.643 35.053 1.000 32.080 0 77  LYS AAA CE  1 ? 
ATOM   668  N N   . TYR A 1 80  ? -0.761  21.947 31.879 1.000 21.180 0 78  TYR AAA N   1 ? 
ATOM   669  C CA  . TYR A 1 80  ? -2.032  21.909 31.124 1.000 20.313 0 78  TYR AAA CA  1 ? 
ATOM   670  C C   . TYR A 1 80  ? -2.072  20.599 30.337 1.000 21.205 0 78  TYR AAA C   1 ? 
ATOM   671  O O   . TYR A 1 80  ? -1.082  20.257 29.652 1.000 22.089 0 78  TYR AAA O   1 ? 
ATOM   672  C CB  . TYR A 1 80  ? -2.149  23.142 30.236 1.000 19.656 0 78  TYR AAA CB  1 ? 
ATOM   673  C CG  . TYR A 1 80  ? -2.106  24.460 30.970 1.000 20.774 0 78  TYR AAA CG  1 ? 
ATOM   674  C CD1 . TYR A 1 80  ? -3.264  25.181 31.165 1.000 21.991 0 78  TYR AAA CD1 1 ? 
ATOM   675  C CD2 . TYR A 1 80  ? -0.925  24.973 31.502 1.000 20.930 0 78  TYR AAA CD2 1 ? 
ATOM   676  C CE1 . TYR A 1 80  ? -3.249  26.404 31.816 1.000 21.795 0 78  TYR AAA CE1 1 ? 
ATOM   677  C CE2 . TYR A 1 80  ? -0.893  26.184 32.183 1.000 20.041 0 78  TYR AAA CE2 1 ? 
ATOM   678  C CZ  . TYR A 1 80  ? -2.070  26.889 32.359 1.000 21.415 0 78  TYR AAA CZ  1 ? 
ATOM   679  O OH  . TYR A 1 80  ? -2.102  28.098 32.981 1.000 20.707 0 78  TYR AAA OH  1 ? 
ATOM   680  N N   . GLU A 1 81  ? -3.190  19.883 30.432 1.000 19.817 0 79  GLU AAA N   1 ? 
ATOM   681  C CA  . GLU A 1 81  ? -3.376  18.582 29.735 1.000 20.824 0 79  GLU AAA CA  1 ? 
ATOM   682  C C   . GLU A 1 81  ? -4.340  18.819 28.573 1.000 19.714 0 79  GLU AAA C   1 ? 
ATOM   683  O O   . GLU A 1 81  ? -5.351  19.550 28.771 1.000 18.094 0 79  GLU AAA O   1 ? 
ATOM   684  C CB  . GLU A 1 81  ? -3.916  17.518 30.695 1.000 23.010 0 79  GLU AAA CB  1 ? 
ATOM   685  C CG  . GLU A 1 81  ? -4.046  16.127 30.049 1.000 26.286 0 79  GLU AAA CG  1 ? 
ATOM   686  C CD  . GLU A 1 81  ? -5.261  15.896 29.142 1.000 33.853 0 79  GLU AAA CD  1 ? 
ATOM   687  O OE1 . GLU A 1 81  ? -6.255  16.677 29.258 1.000 35.291 0 79  GLU AAA OE1 1 ? 
ATOM   688  O OE2 . GLU A 1 81  ? -5.200  14.965 28.262 1.000 34.669 0 79  GLU AAA OE2 1 ? 
ATOM   689  N N   . PHE A 1 82  ? -4.079  18.210 27.416 1.000 18.114 0 80  PHE AAA N   1 ? 
ATOM   690  C CA  . PHE A 1 82  ? -5.031  18.198 26.280 1.000 18.689 0 80  PHE AAA CA  1 ? 
ATOM   691  C C   . PHE A 1 82  ? -5.104  16.791 25.684 1.000 20.415 0 80  PHE AAA C   1 ? 
ATOM   692  O O   . PHE A 1 82  ? -4.067  16.157 25.426 1.000 17.650 0 80  PHE AAA O   1 ? 
ATOM   693  C CB  . PHE A 1 82  ? -4.657  19.233 25.221 1.000 20.405 0 80  PHE AAA CB  1 ? 
ATOM   694  C CG  . PHE A 1 82  ? -4.342  20.594 25.781 1.000 21.244 0 80  PHE AAA CG  1 ? 
ATOM   695  C CD1 . PHE A 1 82  ? -5.346  21.516 26.008 1.000 20.971 0 80  PHE AAA CD1 1 ? 
ATOM   696  C CD2 . PHE A 1 82  ? -3.035  20.939 26.094 1.000 22.725 0 80  PHE AAA CD2 1 ? 
ATOM   697  C CE1 . PHE A 1 82  ? -5.060  22.757 26.560 1.000 22.028 0 80  PHE AAA CE1 1 ? 
ATOM   698  C CE2 . PHE A 1 82  ? -2.744  22.196 26.613 1.000 22.865 0 80  PHE AAA CE2 1 ? 
ATOM   699  C CZ  . PHE A 1 82  ? -3.756  23.099 26.840 1.000 21.423 0 80  PHE AAA CZ  1 ? 
ATOM   700  N N   . ASP A 1 83  ? -6.338  16.321 25.479 1.000 19.013 0 81  ASP AAA N   1 ? 
ATOM   701  C CA  . ASP A 1 83  ? -6.593  15.086 24.718 1.000 21.110 0 81  ASP AAA CA  1 ? 
ATOM   702  C C   . ASP A 1 83  ? -6.232  15.332 23.247 1.000 19.746 0 81  ASP AAA C   1 ? 
ATOM   703  O O   . ASP A 1 83  ? -6.512  16.414 22.701 1.000 19.018 0 81  ASP AAA O   1 ? 
ATOM   704  C CB  . ASP A 1 83  ? -8.034  14.615 24.908 1.000 24.088 0 81  ASP AAA CB  1 ? 
ATOM   705  C CG  . ASP A 1 83  ? -8.318  14.107 26.322 1.000 27.321 0 81  ASP AAA CG  1 ? 
ATOM   706  O OD1 . ASP A 1 83  ? -7.399  13.982 27.128 1.000 30.601 0 81  ASP AAA OD1 1 ? 
ATOM   707  O OD2 . ASP A 1 83  ? -9.461  13.810 26.584 1.000 32.372 0 81  ASP AAA OD2 1 ? 
ATOM   708  N N   . ILE A 1 84  ? -5.608  14.338 22.618 1.000 18.494 0 82  ILE AAA N   1 ? 
ATOM   709  C CA  . ILE A 1 84  ? -5.224  14.392 21.180 1.000 18.767 0 82  ILE AAA CA  1 ? 
ATOM   710  C C   . ILE A 1 84  ? -5.656  13.083 20.509 1.000 18.767 0 82  ILE AAA C   1 ? 
ATOM   711  O O   . ILE A 1 84  ? -5.752  12.050 21.205 1.000 18.888 0 82  ILE AAA O   1 ? 
ATOM   712  C CB  . ILE A 1 84  ? -3.704  14.634 21.058 1.000 18.350 0 82  ILE AAA CB  1 ? 
ATOM   713  C CG1 . ILE A 1 84  ? -2.899  13.466 21.644 1.000 18.504 0 82  ILE AAA CG1 1 ? 
ATOM   714  C CG2 . ILE A 1 84  ? -3.324  15.987 21.670 1.000 17.573 0 82  ILE AAA CG2 1 ? 
ATOM   715  C CD1 . ILE A 1 84  ? -1.395  13.594 21.469 1.000 19.536 0 82  ILE AAA CD1 1 ? 
ATOM   716  N N   . GLU A 1 85  ? -5.865  13.118 19.200 1.000 18.874 0 83  GLU AAA N   1 ? 
ATOM   717  C CA  . GLU A 1 85  ? -6.295  11.932 18.428 1.000 20.318 0 83  GLU AAA CA  1 ? 
ATOM   718  C C   . GLU A 1 85  ? -5.990  12.190 16.955 1.000 19.269 0 83  GLU AAA C   1 ? 
ATOM   719  O O   . GLU A 1 85  ? -5.879  13.356 16.562 1.000 18.342 0 83  GLU AAA O   1 ? 
ATOM   720  C CB  . GLU A 1 85  ? -7.784  11.647 18.656 1.000 20.445 0 83  GLU AAA CB  1 ? 
ATOM   721  C CG  . GLU A 1 85  ? -8.670  12.820 18.262 1.000 22.600 0 83  GLU AAA CG  1 ? 
ATOM   722  C CD  . GLU A 1 85  ? -10.152 12.574 18.499 1.000 23.138 0 83  GLU AAA CD  1 ? 
ATOM   723  O OE1 . GLU A 1 85  ? -10.478 12.049 19.535 1.000 26.566 0 83  GLU AAA OE1 1 ? 
ATOM   724  O OE2 . GLU A 1 85  ? -10.942 12.833 17.606 1.000 25.175 0 83  GLU AAA OE2 1 ? 
ATOM   725  N N   . PHE A 1 86  ? -5.834  11.124 16.165 1.000 19.548 0 84  PHE AAA N   1 ? 
ATOM   726  C CA  . PHE A 1 86  ? -5.697  11.229 14.692 1.000 17.410 0 84  PHE AAA CA  1 ? 
ATOM   727  C C   . PHE A 1 86  ? -5.933  9.858  14.083 1.000 19.551 0 84  PHE AAA C   1 ? 
ATOM   728  O O   . PHE A 1 86  ? -5.692  8.806  14.754 1.000 17.448 0 84  PHE AAA O   1 ? 
ATOM   729  C CB  . PHE A 1 86  ? -4.346  11.821 14.266 1.000 17.515 0 84  PHE AAA CB  1 ? 
ATOM   730  C CG  . PHE A 1 86  ? -3.123  11.172 14.874 1.000 17.354 0 84  PHE AAA CG  1 ? 
ATOM   731  C CD1 . PHE A 1 86  ? -2.499  10.117 14.241 1.000 17.023 0 84  PHE AAA CD1 1 ? 
ATOM   732  C CD2 . PHE A 1 86  ? -2.570  11.628 16.066 1.000 17.446 0 84  PHE AAA CD2 1 ? 
ATOM   733  C CE1 . PHE A 1 86  ? -1.394  9.496  14.801 1.000 17.317 0 84  PHE AAA CE1 1 ? 
ATOM   734  C CE2 . PHE A 1 86  ? -1.420  11.042 16.599 1.000 16.093 0 84  PHE AAA CE2 1 ? 
ATOM   735  C CZ  . PHE A 1 86  ? -0.831  9.974  15.968 1.000 18.006 0 84  PHE AAA CZ  1 ? 
ATOM   736  N N   . ASP A 1 87  ? -6.383  9.896  12.831 1.000 20.563 0 85  ASP AAA N   1 ? 
ATOM   737  C CA  . ASP A 1 87  ? -6.506  8.714  11.946 1.000 21.749 0 85  ASP AAA CA  1 ? 
ATOM   738  C C   . ASP A 1 87  ? -5.270  8.668  11.073 1.000 20.615 0 85  ASP AAA C   1 ? 
ATOM   739  O O   . ASP A 1 87  ? -4.705  9.760  10.734 1.000 18.255 0 85  ASP AAA O   1 ? 
ATOM   740  C CB  . ASP A 1 87  ? -7.830  8.712  11.156 1.000 23.758 0 85  ASP AAA CB  1 ? 
ATOM   741  C CG  . ASP A 1 87  ? -9.027  8.405  12.048 1.000 27.578 0 85  ASP AAA CG  1 ? 
ATOM   742  O OD1 . ASP A 1 87  ? -9.004  7.354  12.764 1.000 33.106 0 85  ASP AAA OD1 1 ? 
ATOM   743  O OD2 . ASP A 1 87  ? -9.972  9.220  12.070 1.000 32.683 0 85  ASP AAA OD2 1 ? 
ATOM   744  N N   . ILE A 1 88  ? -4.818  7.452  10.769 1.000 19.001 0 86  ILE AAA N   1 ? 
ATOM   745  C CA  . ILE A 1 88  ? -3.736  7.235  9.766  1.000 18.288 0 86  ILE AAA CA  1 ? 
ATOM   746  C C   . ILE A 1 88  ? -4.323  7.334  8.353  1.000 19.381 0 86  ILE AAA C   1 ? 
ATOM   747  O O   . ILE A 1 88  ? -5.174  6.533  7.977  1.000 20.258 0 86  ILE AAA O   1 ? 
ATOM   748  C CB  . ILE A 1 88  ? -3.034  5.889  9.974  1.000 17.787 0 86  ILE AAA CB  1 ? 
ATOM   749  C CG1 . ILE A 1 88  ? -2.428  5.751  11.379 1.000 18.592 0 86  ILE AAA CG1 1 ? 
ATOM   750  C CG2 . ILE A 1 88  ? -2.009  5.684  8.885  1.000 19.079 0 86  ILE AAA CG2 1 ? 
ATOM   751  C CD1 . ILE A 1 88  ? -1.416  6.840  11.770 1.000 17.402 0 86  ILE AAA CD1 1 ? 
ATOM   752  N N   . PRO A 1 89  ? -3.835  8.253  7.493  1.000 22.043 0 87  PRO AAA N   1 ? 
ATOM   753  C CA  . PRO A 1 89  ? -4.246  8.290  6.096  1.000 22.360 0 87  PRO AAA CA  1 ? 
ATOM   754  C C   . PRO A 1 89  ? -3.874  6.988  5.368  1.000 23.615 0 87  PRO AAA C   1 ? 
ATOM   755  O O   . PRO A 1 89  ? -2.840  6.373  5.638  1.000 22.055 0 87  PRO AAA O   1 ? 
ATOM   756  C CB  . PRO A 1 89  ? -3.474  9.479  5.503  1.000 24.038 0 87  PRO AAA CB  1 ? 
ATOM   757  C CG  . PRO A 1 89  ? -3.051  10.278 6.688  1.000 24.969 0 87  PRO AAA CG  1 ? 
ATOM   758  C CD  . PRO A 1 89  ? -2.831  9.280  7.797  1.000 22.458 0 87  PRO AAA CD  1 ? 
ATOM   759  N N   . ILE A 1 90  ? -4.720  6.600  4.417  1.000 23.268 0 88  ILE AAA N   1 ? 
ATOM   760  C CA  . ILE A 1 90  ? -4.489  5.399  3.574  1.000 25.778 0 88  ILE AAA CA  1 ? 
ATOM   761  C C   . ILE A 1 90  ? -3.100  5.516  2.946  1.000 21.622 0 88  ILE AAA C   1 ? 
ATOM   762  O O   . ILE A 1 90  ? -2.418  4.498  2.880  1.000 23.531 0 88  ILE AAA O   1 ? 
ATOM   763  C CB  . ILE A 1 90  ? -5.637  5.232  2.552  1.000 27.503 0 88  ILE AAA CB  1 ? 
ATOM   764  C CG1 . ILE A 1 90  ? -6.985  5.126  3.266  1.000 28.667 0 88  ILE AAA CG1 1 ? 
ATOM   765  C CG2 . ILE A 1 90  ? -5.401  4.034  1.657  1.000 29.462 0 88  ILE AAA CG2 1 ? 
ATOM   766  C CD1 . ILE A 1 90  ? -6.993  4.107  4.390  1.000 31.143 0 88  ILE AAA CD1 1 ? 
ATOM   767  N N   . THR A 1 91  ? -2.675  6.729  2.584  1.000 21.604 0 89  THR AAA N   1 ? 
ATOM   768  C CA  . THR A 1 91  ? -1.407  7.030  1.869  1.000 22.595 0 89  THR AAA CA  1 ? 
ATOM   769  C C   . THR A 1 91  ? -0.243  7.330  2.826  1.000 20.913 0 89  THR AAA C   1 ? 
ATOM   770  O O   . THR A 1 91  ? 0.821   7.752  2.341  1.000 19.561 0 89  THR AAA O   1 ? 
ATOM   771  C CB  . THR A 1 91  ? -1.648  8.227  0.944  1.000 24.638 0 89  THR AAA CB  1 ? 
ATOM   772  O OG1 . THR A 1 91  ? -2.319  9.216  1.727  1.000 25.681 0 89  THR AAA OG1 1 ? 
ATOM   773  C CG2 . THR A 1 91  ? -2.513  7.842  -0.234 1.000 27.808 0 89  THR AAA CG2 1 ? 
ATOM   774  N N   . TYR A 1 92  ? -0.411  7.111  4.125  1.000 21.015 0 90  TYR AAA N   1 ? 
ATOM   775  C CA  . TYR A 1 92  ? 0.694   7.152  5.122  1.000 19.083 0 90  TYR AAA CA  1 ? 
ATOM   776  C C   . TYR A 1 92  ? 1.723   6.093  4.735  1.000 19.998 0 90  TYR AAA C   1 ? 
ATOM   777  O O   . TYR A 1 92  ? 1.310   5.034  4.263  1.000 21.362 0 90  TYR AAA O   1 ? 
ATOM   778  C CB  . TYR A 1 92  ? 0.108   6.903  6.517  1.000 18.089 0 90  TYR AAA CB  1 ? 
ATOM   779  C CG  . TYR A 1 92  ? 1.118   7.048  7.628  1.000 18.486 0 90  TYR AAA CG  1 ? 
ATOM   780  C CD1 . TYR A 1 92  ? 1.472   8.305  8.093  1.000 17.973 0 90  TYR AAA CD1 1 ? 
ATOM   781  C CD2 . TYR A 1 92  ? 1.730   5.941  8.208  1.000 17.525 0 90  TYR AAA CD2 1 ? 
ATOM   782  C CE1 . TYR A 1 92  ? 2.403   8.477  9.121  1.000 17.216 0 90  TYR AAA CE1 1 ? 
ATOM   783  C CE2 . TYR A 1 92  ? 2.657   6.094  9.237  1.000 18.227 0 90  TYR AAA CE2 1 ? 
ATOM   784  C CZ  . TYR A 1 92  ? 3.009   7.363  9.687  1.000 17.879 0 90  TYR AAA CZ  1 ? 
ATOM   785  O OH  . TYR A 1 92  ? 3.950   7.541  10.660 1.000 14.929 0 90  TYR AAA OH  1 ? 
ATOM   786  N N   . PRO A 1 93  ? 3.060   6.246  4.931  1.000 19.389 0 91  PRO AAA N   1 ? 
ATOM   787  C CA  . PRO A 1 93  ? 3.709   7.406  5.561  1.000 19.157 0 91  PRO AAA CA  1 ? 
ATOM   788  C C   . PRO A 1 93  ? 4.124   8.576  4.654  1.000 21.437 0 91  PRO AAA C   1 ? 
ATOM   789  O O   . PRO A 1 93  ? 4.862   9.498  5.107  1.000 19.656 0 91  PRO AAA O   1 ? 
ATOM   790  C CB  . PRO A 1 93  ? 4.973   6.748  6.118  1.000 19.040 0 91  PRO AAA CB  1 ? 
ATOM   791  C CG  . PRO A 1 93  ? 5.356   5.739  5.076  1.000 19.626 0 91  PRO AAA CG  1 ? 
ATOM   792  C CD  . PRO A 1 93  ? 4.024   5.185  4.606  1.000 19.317 0 91  PRO AAA CD  1 ? 
ATOM   793  N N   . THR A 1 94  ? 3.693   8.545  3.388  1.000 21.030 0 92  THR AAA N   1 ? 
ATOM   794  C CA  . THR A 1 94  ? 3.937   9.659  2.438  1.000 23.339 0 92  THR AAA CA  1 ? 
ATOM   795  C C   . THR A 1 94  ? 3.165   10.902 2.892  1.000 22.121 0 92  THR AAA C   1 ? 
ATOM   796  O O   . THR A 1 94  ? 3.733   12.003 2.886  1.000 23.464 0 92  THR AAA O   1 ? 
ATOM   797  C CB  . THR A 1 94  ? 3.573   9.281  0.997  1.000 25.115 0 92  THR AAA CB  1 ? 
ATOM   798  O OG1 . THR A 1 94  ? 4.594   8.373  0.585  1.000 27.773 0 92  THR AAA OG1 1 ? 
ATOM   799  C CG2 . THR A 1 94  ? 3.522   10.495 0.095  1.000 26.634 0 92  THR AAA CG2 1 ? 
ATOM   800  N N   . THR A 1 95  ? 1.895   10.734 3.230  1.000 22.481 0 93  THR AAA N   1 ? 
ATOM   801  C CA  . THR A 1 95  ? 1.006   11.794 3.747  1.000 23.646 0 93  THR AAA CA  1 ? 
ATOM   802  C C   . THR A 1 95  ? 1.189   11.845 5.272  1.000 25.455 0 93  THR AAA C   1 ? 
ATOM   803  O O   . THR A 1 95  ? 1.201   10.774 5.866  1.000 27.398 0 93  THR AAA O   1 ? 
ATOM   804  C CB  . THR A 1 95  ? -0.435  11.468 3.338  1.000 27.173 0 93  THR AAA CB  1 ? 
ATOM   805  O OG1 . THR A 1 95  ? -0.475  11.452 1.907  1.000 30.122 0 93  THR AAA OG1 1 ? 
ATOM   806  C CG2 . THR A 1 95  ? -1.456  12.456 3.858  1.000 27.500 0 93  THR AAA CG2 1 ? 
ATOM   807  N N   . ALA A 1 96  ? 1.339   13.013 5.897  1.000 23.117 0 94  ALA AAA N   1 ? 
ATOM   808  C CA  . ALA A 1 96  ? 1.415   13.105 7.374  1.000 23.206 0 94  ALA AAA CA  1 ? 
ATOM   809  C C   . ALA A 1 96  ? 0.005   13.052 7.945  1.000 23.240 0 94  ALA AAA C   1 ? 
ATOM   810  O O   . ALA A 1 96  ? -0.924  13.630 7.368  1.000 23.642 0 94  ALA AAA O   1 ? 
ATOM   811  C CB  . ALA A 1 96  ? 2.135   14.355 7.807  1.000 25.898 0 94  ALA AAA CB  1 ? 
ATOM   812  N N   . PRO A 1 97  ? -0.217  12.379 9.094  1.000 19.022 0 95  PRO AAA N   1 ? 
ATOM   813  C CA  . PRO A 1 97  ? -1.504  12.422 9.788  1.000 19.042 0 95  PRO AAA CA  1 ? 
ATOM   814  C C   . PRO A 1 97  ? -1.861  13.825 10.286 1.000 20.333 0 95  PRO AAA C   1 ? 
ATOM   815  O O   . PRO A 1 97  ? -0.945  14.597 10.521 1.000 18.610 0 95  PRO AAA O   1 ? 
ATOM   816  C CB  . PRO A 1 97  ? -1.273  11.520 11.011 1.000 19.996 0 95  PRO AAA CB  1 ? 
ATOM   817  C CG  . PRO A 1 97  ? -0.175  10.611 10.563 1.000 19.397 0 95  PRO AAA CG  1 ? 
ATOM   818  C CD  . PRO A 1 97  ? 0.751   11.532 9.803  1.000 21.338 0 95  PRO AAA CD  1 ? 
ATOM   819  N N   . GLU A 1 98  ? -3.155  14.086 10.487 1.000 20.467 0 96  GLU AAA N   1 ? 
ATOM   820  C CA  . GLU A 1 98  ? -3.661  15.405 10.951 1.000 21.637 0 96  GLU AAA CA  1 ? 
ATOM   821  C C   . GLU A 1 98  ? -4.005  15.302 12.442 1.000 19.243 0 96  GLU AAA C   1 ? 
ATOM   822  O O   . GLU A 1 98  ? -5.061  14.749 12.777 1.000 19.784 0 96  GLU AAA O   1 ? 
ATOM   823  C CB  . GLU A 1 98  ? -4.850  15.785 10.078 1.000 24.891 0 96  GLU AAA CB  1 ? 
ATOM   824  C CG  . GLU A 1 98  ? -4.460  16.053 8.630  1.000 30.055 0 96  GLU AAA CG  1 ? 
ATOM   825  C CD  . GLU A 1 98  ? -5.613  16.575 7.788  1.000 35.484 0 96  GLU AAA CD  1 ? 
ATOM   826  O OE1 . GLU A 1 98  ? -6.724  16.079 7.950  1.000 34.959 0 96  GLU AAA OE1 1 ? 
ATOM   827  O OE2 . GLU A 1 98  ? -5.385  17.496 6.981  1.000 49.095 0 96  GLU AAA OE2 1 ? 
ATOM   828  N N   . ILE A 1 99  ? -3.110  15.759 13.303 1.000 18.575 0 97  ILE AAA N   1 ? 
ATOM   829  C CA  . ILE A 1 99  ? -3.302  15.704 14.777 1.000 18.377 0 97  ILE AAA CA  1 ? 
ATOM   830  C C   . ILE A 1 99  ? -4.436  16.653 15.093 1.000 20.285 0 97  ILE AAA C   1 ? 
ATOM   831  O O   . ILE A 1 99  ? -4.333  17.822 14.679 1.000 22.327 0 97  ILE AAA O   1 ? 
ATOM   832  C CB  . ILE A 1 99  ? -2.023  16.062 15.546 1.000 20.368 0 97  ILE AAA CB  1 ? 
ATOM   833  C CG1 . ILE A 1 99  ? -0.957  14.982 15.356 1.000 22.183 0 97  ILE AAA CG1 1 ? 
ATOM   834  C CG2 . ILE A 1 99  ? -2.315  16.285 17.027 1.000 20.884 0 97  ILE AAA CG2 1 ? 
ATOM   835  C CD1 . ILE A 1 99  ? 0.387   15.305 15.977 1.000 23.087 0 97  ILE AAA CD1 1 ? 
ATOM   836  N N   . ALA A 1 100 ? -5.491  16.165 15.742 1.000 19.390 0 98  ALA AAA N   1 ? 
ATOM   837  C CA  . ALA A 1 100 ? -6.570  17.003 16.295 1.000 18.996 0 98  ALA AAA CA  1 ? 
ATOM   838  C C   . ALA A 1 100 ? -6.401  17.147 17.827 1.000 18.911 0 98  ALA AAA C   1 ? 
ATOM   839  O O   . ALA A 1 100 ? -6.009  16.171 18.519 1.000 17.209 0 98  ALA AAA O   1 ? 
ATOM   840  C CB  . ALA A 1 100 ? -7.905  16.431 15.873 1.000 20.567 0 98  ALA AAA CB  1 ? 
ATOM   841  N N   . VAL A 1 101 ? -6.615  18.370 18.330 1.000 18.656 0 99  VAL AAA N   1 ? 
ATOM   842  C CA  . VAL A 1 101 ? -6.756  18.710 19.782 1.000 19.201 0 99  VAL AAA CA  1 ? 
ATOM   843  C C   . VAL A 1 101 ? -8.187  19.213 20.007 1.000 19.930 0 99  VAL AAA C   1 ? 
ATOM   844  O O   . VAL A 1 101 ? -8.445  20.416 19.981 1.000 19.101 0 99  VAL AAA O   1 ? 
ATOM   845  C CB  . VAL A 1 101 ? -5.692  19.737 20.210 1.000 19.839 0 99  VAL AAA CB  1 ? 
ATOM   846  C CG1 . VAL A 1 101 ? -5.675  19.903 21.723 1.000 20.389 0 99  VAL AAA CG1 1 ? 
ATOM   847  C CG2 . VAL A 1 101 ? -4.307  19.371 19.701 1.000 19.146 0 99  VAL AAA CG2 1 ? 
ATOM   848  N N   . PRO A 1 102 ? -9.188  18.309 20.105 1.000 20.174 0 100 PRO AAA N   1 ? 
ATOM   849  C CA  . PRO A 1 102 ? -10.591 18.701 19.938 1.000 21.183 0 100 PRO AAA CA  1 ? 
ATOM   850  C C   . PRO A 1 102 ? -11.087 19.783 20.914 1.000 20.593 0 100 PRO AAA C   1 ? 
ATOM   851  O O   . PRO A 1 102 ? -11.949 20.526 20.545 1.000 20.589 0 100 PRO AAA O   1 ? 
ATOM   852  C CB  . PRO A 1 102 ? -11.366 17.383 20.142 1.000 20.515 0 100 PRO AAA CB  1 ? 
ATOM   853  C CG  . PRO A 1 102 ? -10.367 16.312 19.758 1.000 23.160 0 100 PRO AAA CG  1 ? 
ATOM   854  C CD  . PRO A 1 102 ? -9.029  16.842 20.248 1.000 22.923 0 100 PRO AAA CD  1 ? 
ATOM   855  N N   . GLU A 1 103 ? -10.544 19.838 22.124 1.000 21.192 0 101 GLU AAA N   1 ? 
ATOM   856  C CA  . GLU A 1 103 ? -11.054 20.784 23.140 1.000 22.259 0 101 GLU AAA CA  1 ? 
ATOM   857  C C   . GLU A 1 103 ? -10.601 22.196 22.750 1.000 20.573 0 101 GLU AAA C   1 ? 
ATOM   858  O O   . GLU A 1 103 ? -11.219 23.161 23.212 1.000 18.714 0 101 GLU AAA O   1 ? 
ATOM   859  C CB  . GLU A 1 103 ? -10.651 20.318 24.535 1.000 25.682 0 101 GLU AAA CB  1 ? 
ATOM   860  C CG  . GLU A 1 103 ? -9.177  20.402 24.856 1.000 28.981 0 101 GLU AAA CG  1 ? 
ATOM   861  C CD  . GLU A 1 103 ? -8.792  19.532 26.060 1.000 37.964 0 101 GLU AAA CD  1 ? 
ATOM   862  O OE1 . GLU A 1 103 ? -8.574  18.270 25.887 1.000 29.994 0 101 GLU AAA OE1 1 ? 
ATOM   863  O OE2 . GLU A 1 103 ? -8.788  20.098 27.207 1.000 39.002 0 101 GLU AAA OE2 1 ? 
ATOM   864  N N   . LEU A 1 104 ? -9.609  22.342 21.874 1.000 19.565 0 102 LEU AAA N   1 ? 
ATOM   865  C CA  . LEU A 1 104 ? -9.136  23.686 21.417 1.000 19.366 0 102 LEU AAA CA  1 ? 
ATOM   866  C C   . LEU A 1 104 ? -9.736  24.073 20.063 1.000 20.854 0 102 LEU AAA C   1 ? 
ATOM   867  O O   . LEU A 1 104 ? -9.367  25.154 19.526 1.000 20.308 0 102 LEU AAA O   1 ? 
ATOM   868  C CB  . LEU A 1 104 ? -7.602  23.683 21.344 1.000 19.685 0 102 LEU AAA CB  1 ? 
ATOM   869  C CG  . LEU A 1 104 ? -6.873  23.468 22.665 1.000 19.483 0 102 LEU AAA CG  1 ? 
ATOM   870  C CD1 . LEU A 1 104 ? -5.358  23.594 22.488 1.000 20.285 0 102 LEU AAA CD1 1 ? 
ATOM   871  C CD2 . LEU A 1 104 ? -7.366  24.426 23.737 1.000 21.358 0 102 LEU AAA CD2 1 ? 
ATOM   872  N N   . ASP A 1 105 ? -10.616 23.228 19.513 1.000 19.853 0 103 ASP AAA N   1 ? 
ATOM   873  C CA  . ASP A 1 105 ? -11.305 23.481 18.221 1.000 20.270 0 103 ASP AAA CA  1 ? 
ATOM   874  C C   . ASP A 1 105 ? -11.818 24.931 18.190 1.000 19.973 0 103 ASP AAA C   1 ? 
ATOM   875  O O   . ASP A 1 105 ? -12.512 25.354 19.116 1.000 17.622 0 103 ASP AAA O   1 ? 
ATOM   876  C CB  . ASP A 1 105 ? -12.445 22.472 18.026 1.000 20.435 0 103 ASP AAA CB  1 ? 
ATOM   877  C CG  . ASP A 1 105 ? -13.155 22.548 16.686 1.000 21.801 0 103 ASP AAA CG  1 ? 
ATOM   878  O OD1 . ASP A 1 105 ? -12.618 23.173 15.760 1.000 20.854 0 103 ASP AAA OD1 1 ? 
ATOM   879  O OD2 . ASP A 1 105 ? -14.241 21.956 16.585 1.000 23.334 0 103 ASP AAA OD2 1 ? 
ATOM   880  N N   . GLY A 1 106 ? -11.449 25.656 17.140 1.000 21.666 0 104 GLY AAA N   1 ? 
ATOM   881  C CA  . GLY A 1 106 ? -11.925 27.025 16.882 1.000 23.393 0 104 GLY AAA CA  1 ? 
ATOM   882  C C   . GLY A 1 106 ? -11.316 28.084 17.787 1.000 26.238 0 104 GLY AAA C   1 ? 
ATOM   883  O O   . GLY A 1 106 ? -11.676 29.262 17.567 1.000 26.934 0 104 GLY AAA O   1 ? 
ATOM   884  N N   . LYS A 1 107 ? -10.458 27.731 18.757 1.000 23.916 0 105 LYS AAA N   1 ? 
ATOM   885  C CA  . LYS A 1 107 ? -9.928  28.695 19.767 1.000 25.094 0 105 LYS AAA CA  1 ? 
ATOM   886  C C   . LYS A 1 107 ? -8.620  29.367 19.316 1.000 24.230 0 105 LYS AAA C   1 ? 
ATOM   887  O O   . LYS A 1 107 ? -8.215  30.331 19.971 1.000 24.184 0 105 LYS AAA O   1 ? 
ATOM   888  C CB  . LYS A 1 107 ? -9.737  28.022 21.119 1.000 26.197 0 105 LYS AAA CB  1 ? 
ATOM   889  C CG  . LYS A 1 107 ? -11.057 27.684 21.766 1.000 26.125 0 105 LYS AAA CG  1 ? 
ATOM   890  C CD  . LYS A 1 107 ? -10.949 27.224 23.161 1.000 27.146 0 105 LYS AAA CD  1 ? 
ATOM   891  C CE  . LYS A 1 107 ? -12.188 26.408 23.482 1.000 29.302 0 105 LYS AAA CE  1 ? 
ATOM   892  N NZ  . LYS A 1 107 ? -12.249 25.982 24.892 1.000 30.768 0 105 LYS AAA NZ  1 ? 
ATOM   893  N N   . THR A 1 108 ? -7.977  28.896 18.256 1.000 24.590 0 106 THR AAA N   1 ? 
ATOM   894  C CA  . THR A 1 108 ? -6.796  29.575 17.662 1.000 24.379 0 106 THR AAA CA  1 ? 
ATOM   895  C C   . THR A 1 108 ? -6.954  29.601 16.149 1.000 23.211 0 106 THR AAA C   1 ? 
ATOM   896  O O   . THR A 1 108 ? -7.620  28.707 15.598 1.000 23.567 0 106 THR AAA O   1 ? 
ATOM   897  C CB  . THR A 1 108 ? -5.481  28.907 18.080 1.000 23.371 0 106 THR AAA CB  1 ? 
ATOM   898  O OG1 . THR A 1 108 ? -4.434  29.445 17.284 1.000 28.432 0 106 THR AAA OG1 1 ? 
ATOM   899  C CG2 . THR A 1 108 ? -5.470  27.411 17.870 1.000 22.637 0 106 THR AAA CG2 1 ? 
ATOM   900  N N   . ALA A 1 109 ? -6.326  30.574 15.488 1.000 25.105 0 107 ALA AAA N   1 ? 
ATOM   901  C CA  . ALA A 1 109 ? -6.339  30.672 14.011 1.000 25.540 0 107 ALA AAA CA  1 ? 
ATOM   902  C C   . ALA A 1 109 ? -5.497  29.537 13.407 1.000 22.907 0 107 ALA AAA C   1 ? 
ATOM   903  O O   . ALA A 1 109 ? -5.777  29.155 12.278 1.000 20.179 0 107 ALA AAA O   1 ? 
ATOM   904  C CB  . ALA A 1 109 ? -5.860  32.034 13.552 1.000 26.355 0 107 ALA AAA CB  1 ? 
ATOM   905  N N   . ALA A 1 110 ? -4.500  29.025 14.130 1.000 22.391 0 108 ALA AAA N   1 ? 
ATOM   906  C CA  . ALA A 1 110 ? -3.521  28.035 13.622 1.000 24.127 0 108 ALA AAA CA  1 ? 
ATOM   907  C C   . ALA A 1 110 ? -4.119  26.627 13.709 1.000 22.964 0 108 ALA AAA C   1 ? 
ATOM   908  O O   . ALA A 1 110 ? -3.470  25.710 14.281 1.000 20.145 0 108 ALA AAA O   1 ? 
ATOM   909  C CB  . ALA A 1 110 ? -2.247  28.131 14.424 1.000 24.121 0 108 ALA AAA CB  1 ? 
ATOM   910  N N   . MET A 1 111 ? -5.284  26.429 13.118 1.000 22.931 0 109 MET AAA N   1 ? 
ATOM   911  C CA  . MET A 1 111 ? -6.101  25.212 13.322 1.000 23.721 0 109 MET AAA CA  1 ? 
ATOM   912  C C   . MET A 1 111 ? -7.192  25.205 12.263 1.000 25.174 0 109 MET AAA C   1 ? 
ATOM   913  O O   . MET A 1 111 ? -7.596  26.297 11.871 1.000 23.098 0 109 MET AAA O   1 ? 
ATOM   914  C CB  . MET A 1 111 ? -6.735  25.279 14.709 1.000 25.066 0 109 MET AAA CB  1 ? 
ATOM   915  C CG  . MET A 1 111 ? -7.484  24.055 15.145 1.000 28.519 0 109 MET AAA CG  1 ? 
ATOM   916  S SD  . MET A 1 111 ? -7.998  24.302 16.850 1.000 28.673 0 109 MET AAA SD  1 ? 
ATOM   917  C CE  . MET A 1 111 ? -6.752  23.333 17.696 1.000 26.882 0 109 MET AAA CE  1 ? 
ATOM   918  N N   . TYR A 1 112 ? -7.644  24.017 11.869 1.000 23.892 0 110 TYR AAA N   1 ? 
ATOM   919  C CA  . TYR A 1 112 ? -8.778  23.774 10.946 1.000 26.000 0 110 TYR AAA CA  1 ? 
ATOM   920  C C   . TYR A 1 112 ? -9.962  23.229 11.756 1.000 24.756 0 110 TYR AAA C   1 ? 
ATOM   921  O O   . TYR A 1 112 ? -9.800  22.920 12.944 1.000 24.664 0 110 TYR AAA O   1 ? 
ATOM   922  C CB  . TYR A 1 112 ? -8.356  22.782 9.864  1.000 29.173 0 110 TYR AAA CB  1 ? 
ATOM   923  C CG  . TYR A 1 112 ? -7.128  23.182 9.086  1.000 35.735 0 110 TYR AAA CG  1 ? 
ATOM   924  C CD1 . TYR A 1 112 ? -7.200  24.136 8.078  1.000 38.192 0 110 TYR AAA CD1 1 ? 
ATOM   925  C CD2 . TYR A 1 112 ? -5.897  22.605 9.351  1.000 38.206 0 110 TYR AAA CD2 1 ? 
ATOM   926  C CE1 . TYR A 1 112 ? -6.074  24.516 7.365  1.000 40.299 0 110 TYR AAA CE1 1 ? 
ATOM   927  C CE2 . TYR A 1 112 ? -4.764  22.961 8.636  1.000 40.636 0 110 TYR AAA CE2 1 ? 
ATOM   928  C CZ  . TYR A 1 112 ? -4.859  23.917 7.638  1.000 44.410 0 110 TYR AAA CZ  1 ? 
ATOM   929  O OH  . TYR A 1 112 ? -3.751  24.295 6.937  1.000 54.973 0 110 TYR AAA OH  1 ? 
ATOM   930  N N   . ARG A 1 113 ? -11.112 23.051 11.118 1.000 26.786 0 111 ARG AAA N   1 ? 
ATOM   931  C CA  . ARG A 1 113 ? -12.329 22.524 11.797 1.000 27.660 0 111 ARG AAA CA  1 ? 
ATOM   932  C C   . ARG A 1 113 ? -12.047 21.142 12.392 1.000 29.080 0 111 ARG AAA C   1 ? 
ATOM   933  O O   . ARG A 1 113 ? -11.232 20.374 11.825 1.000 31.223 0 111 ARG AAA O   1 ? 
ATOM   934  C CB  . ARG A 1 113 ? -13.507 22.485 10.823 1.000 30.990 0 111 ARG AAA CB  1 ? 
ATOM   935  C CG  . ARG A 1 113 ? -14.003 23.867 10.428 1.000 32.337 0 111 ARG AAA CG  1 ? 
ATOM   936  C CD  . ARG A 1 113 ? -15.272 23.812 9.587  1.000 33.835 0 111 ARG AAA CD  1 ? 
ATOM   937  N NE  . ARG A 1 113 ? -15.806 25.163 9.445  1.000 35.885 0 111 ARG AAA NE  1 ? 
ATOM   938  C CZ  . ARG A 1 113 ? -15.521 26.011 8.461  1.000 38.661 0 111 ARG AAA CZ  1 ? 
ATOM   939  N NH1 . ARG A 1 113 ? -14.704 25.648 7.485  1.000 44.820 0 111 ARG AAA NH1 1 ? 
ATOM   940  N NH2 . ARG A 1 113 ? -16.060 27.223 8.441  1.000 35.168 0 111 ARG AAA NH2 1 ? 
ATOM   941  N N   . GLY A 1 114 ? -12.627 20.865 13.560 1.000 27.347 0 112 GLY AAA N   1 ? 
ATOM   942  C CA  . GLY A 1 114 ? -12.394 19.612 14.289 1.000 28.439 0 112 GLY AAA CA  1 ? 
ATOM   943  C C   . GLY A 1 114 ? -11.154 19.681 15.159 1.000 27.301 0 112 GLY AAA C   1 ? 
ATOM   944  O O   . GLY A 1 114 ? -10.803 18.662 15.790 1.000 29.428 0 112 GLY AAA O   1 ? 
ATOM   945  N N   . GLY A 1 115 ? -10.490 20.833 15.237 1.000 24.255 0 113 GLY AAA N   1 ? 
ATOM   946  C CA  . GLY A 1 115 ? -9.317  20.971 16.115 1.000 23.026 0 113 GLY AAA CA  1 ? 
ATOM   947  C C   . GLY A 1 115 ? -8.062  20.384 15.492 1.000 21.626 0 113 GLY AAA C   1 ? 
ATOM   948  O O   . GLY A 1 115 ? -7.137  20.114 16.245 1.000 20.077 0 113 GLY AAA O   1 ? 
ATOM   949  N N   . LYS A 1 116 ? -8.054  20.163 14.175 1.000 21.753 0 114 LYS AAA N   1 ? 
ATOM   950  C CA  . LYS A 1 116 ? -6.854  19.744 13.410 1.000 22.333 0 114 LYS AAA CA  1 ? 
ATOM   951  C C   . LYS A 1 116 ? -5.826  20.872 13.381 1.000 20.915 0 114 LYS AAA C   1 ? 
ATOM   952  O O   . LYS A 1 116 ? -6.088  21.911 12.775 1.000 20.182 0 114 LYS AAA O   1 ? 
ATOM   953  C CB  . LYS A 1 116 ? -7.269  19.268 12.020 1.000 24.339 0 114 LYS AAA CB  1 ? 
ATOM   954  C CG  . LYS A 1 116 ? -7.919  17.902 12.058 1.000 27.459 0 114 LYS AAA CG  1 ? 
ATOM   955  C CD  . LYS A 1 116 ? -8.374  17.417 10.716 1.000 32.253 0 114 LYS AAA CD  1 ? 
ATOM   956  C CE  . LYS A 1 116 ? -8.816  15.970 10.774 1.000 36.783 0 114 LYS AAA CE  1 ? 
ATOM   957  N NZ  . LYS A 1 116 ? -9.715  15.623 9.646  1.000 41.197 0 114 LYS AAA NZ  1 ? 
ATOM   958  N N   . ILE A 1 117 ? -4.668  20.664 14.012 1.000 19.016 0 115 ILE AAA N   1 ? 
ATOM   959  C CA  . ILE A 1 117 ? -3.659  21.744 14.149 1.000 19.135 0 115 ILE AAA CA  1 ? 
ATOM   960  C C   . ILE A 1 117 ? -3.160  22.107 12.745 1.000 20.434 0 115 ILE AAA C   1 ? 
ATOM   961  O O   . ILE A 1 117 ? -3.074  21.205 11.887 1.000 18.868 0 115 ILE AAA O   1 ? 
ATOM   962  C CB  . ILE A 1 117 ? -2.502  21.345 15.105 1.000 20.455 0 115 ILE AAA CB  1 ? 
ATOM   963  C CG1 . ILE A 1 117 ? -1.613  20.221 14.562 1.000 20.602 0 115 ILE AAA CG1 1 ? 
ATOM   964  C CG2 . ILE A 1 117 ? -3.039  21.055 16.497 1.000 21.140 0 115 ILE AAA CG2 1 ? 
ATOM   965  C CD1 . ILE A 1 117 ? -0.354  19.966 15.396 1.000 20.948 0 115 ILE AAA CD1 1 ? 
ATOM   966  N N   . GLU A 1 118 ? -2.821  23.374 12.534 1.000 21.153 0 116 GLU AAA N   1 ? 
ATOM   967  C CA  . GLU A 1 118 ? -2.165  23.853 11.298 1.000 24.127 0 116 GLU AAA CA  1 ? 
ATOM   968  C C   . GLU A 1 118 ? -0.682  24.043 11.584 1.000 26.007 0 116 GLU AAA C   1 ? 
ATOM   969  O O   . GLU A 1 118 ? -0.332  24.984 12.330 1.000 29.417 0 116 GLU AAA O   1 ? 
ATOM   970  C CB  . GLU A 1 118 ? -2.746  25.185 10.822 1.000 28.986 0 116 GLU AAA CB  1 ? 
ATOM   971  C CG  . GLU A 1 118 ? -2.083  25.681 9.540  1.000 35.925 0 116 GLU AAA CG  1 ? 
ATOM   972  C CD  . GLU A 1 118 ? -2.847  26.739 8.754  1.000 45.351 0 116 GLU AAA CD  1 ? 
ATOM   973  O OE1 . GLU A 1 118 ? -3.944  26.418 8.224  1.000 53.914 0 116 GLU AAA OE1 1 ? 
ATOM   974  O OE2 . GLU A 1 118 ? -2.352  27.877 8.664  1.000 52.598 0 116 GLU AAA OE2 1 ? 
ATOM   975  N N   . LEU A 1 119 ? 0.145   23.210 10.980 1.000 27.777 0 117 LEU AAA N   1 ? 
ATOM   976  C CA  . LEU A 1 119 ? 1.618   23.365 11.004 1.000 33.688 0 117 LEU AAA CA  1 ? 
ATOM   977  C C   . LEU A 1 119 ? 2.039   24.391 9.961  1.000 35.811 0 117 LEU AAA C   1 ? 
ATOM   978  O O   . LEU A 1 119 ? 1.270   24.610 9.016  1.000 34.441 0 117 LEU AAA O   1 ? 
ATOM   979  C CB  . LEU A 1 119 ? 2.233   22.001 10.717 1.000 33.160 0 117 LEU AAA CB  1 ? 
ATOM   980  C CG  . LEU A 1 119 ? 1.878   20.960 11.771 1.000 36.088 0 117 LEU AAA CG  1 ? 
ATOM   981  C CD1 . LEU A 1 119 ? 2.774   19.734 11.655 1.000 35.261 0 117 LEU AAA CD1 1 ? 
ATOM   982  C CD2 . LEU A 1 119 ? 1.963   21.565 13.172 1.000 36.499 0 117 LEU AAA CD2 1 ? 
ATOM   983  N N   . THR A 1 120 ? 3.214   24.997 10.151 1.000 33.156 0 118 THR AAA N   1 ? 
ATOM   984  C CA  . THR A 1 120 ? 3.848   25.899 9.161  1.000 31.451 0 118 THR AAA CA  1 ? 
ATOM   985  C C   . THR A 1 120 ? 3.959   25.173 7.814  1.000 27.437 0 118 THR AAA C   1 ? 
ATOM   986  O O   . THR A 1 120 ? 4.001   23.923 7.797  1.000 29.918 0 118 THR AAA O   1 ? 
ATOM   987  C CB  . THR A 1 120 ? 5.246   26.371 9.592  1.000 29.818 0 118 THR AAA CB  1 ? 
ATOM   988  O OG1 . THR A 1 120 ? 6.092   25.231 9.484  1.000 29.878 0 118 THR AAA OG1 1 ? 
ATOM   989  C CG2 . THR A 1 120 ? 5.288   26.958 10.985 1.000 35.103 0 118 THR AAA CG2 1 ? 
ATOM   990  N N   . ASP A 1 121 ? 4.102   25.959 6.748  1.000 25.862 0 119 ASP AAA N   1 ? 
ATOM   991  C CA  . ASP A 1 121 ? 4.366   25.501 5.361  1.000 26.987 0 119 ASP AAA CA  1 ? 
ATOM   992  C C   . ASP A 1 121 ? 5.677   24.736 5.260  1.000 27.531 0 119 ASP AAA C   1 ? 
ATOM   993  O O   . ASP A 1 121 ? 5.795   23.986 4.286  1.000 33.317 0 119 ASP AAA O   1 ? 
ATOM   994  C CB  . ASP A 1 121 ? 4.459   26.677 4.388  1.000 28.802 0 119 ASP AAA CB  1 ? 
ATOM   995  C CG  . ASP A 1 121 ? 3.114   27.038 3.818  1.000 29.964 0 119 ASP AAA CG  1 ? 
ATOM   996  O OD1 . ASP A 1 121 ? 2.137   26.345 4.164  1.000 31.518 0 119 ASP AAA OD1 1 ? 
ATOM   997  O OD2 . ASP A 1 121 ? 3.066   27.949 2.983  1.000 33.196 0 119 ASP AAA OD2 1 ? 
ATOM   998  N N   . HIS A 1 122 ? 6.635   24.974 6.166  1.000 22.966 0 120 HIS AAA N   1 ? 
ATOM   999  C CA  . HIS A 1 122 ? 7.980   24.338 6.141  1.000 25.741 0 120 HIS AAA CA  1 ? 
ATOM   1000 C C   . HIS A 1 122 ? 7.909   22.884 6.642  1.000 22.805 0 120 HIS AAA C   1 ? 
ATOM   1001 O O   . HIS A 1 122 ? 8.707   22.053 6.155  1.000 20.768 0 120 HIS AAA O   1 ? 
ATOM   1002 C CB  . HIS A 1 122 ? 8.989   25.241 6.886  1.000 28.690 0 120 HIS AAA CB  1 ? 
ATOM   1003 C CG  . HIS A 1 122 ? 9.397   26.441 6.087  1.000 33.636 0 120 HIS AAA CG  1 ? 
ATOM   1004 N ND1 . HIS A 1 122 ? 8.549   27.528 5.879  1.000 37.931 0 120 HIS AAA ND1 1 ? 
ATOM   1005 C CD2 . HIS A 1 122 ? 10.537  26.721 5.410  1.000 39.626 0 120 HIS AAA CD2 1 ? 
ATOM   1006 C CE1 . HIS A 1 122 ? 9.153   28.414 5.115  1.000 40.290 0 120 HIS AAA CE1 1 ? 
ATOM   1007 N NE2 . HIS A 1 122 ? 10.375  27.943 4.804  1.000 37.254 0 120 HIS AAA NE2 1 ? 
ATOM   1008 N N   . PHE A 1 123 ? 6.937   22.540 7.493  1.000 22.036 0 121 PHE AAA N   1 ? 
ATOM   1009 C CA  . PHE A 1 123 ? 6.756   21.148 7.990  1.000 21.839 0 121 PHE AAA CA  1 ? 
ATOM   1010 C C   . PHE A 1 123 ? 6.455   20.183 6.842  1.000 20.680 0 121 PHE AAA C   1 ? 
ATOM   1011 O O   . PHE A 1 123 ? 7.050   19.108 6.832  1.000 18.372 0 121 PHE AAA O   1 ? 
ATOM   1012 C CB  . PHE A 1 123 ? 5.629   21.030 9.016  1.000 21.010 0 121 PHE AAA CB  1 ? 
ATOM   1013 C CG  . PHE A 1 123 ? 5.473   19.622 9.545  1.000 20.244 0 121 PHE AAA CG  1 ? 
ATOM   1014 C CD1 . PHE A 1 123 ? 6.285   19.168 10.571 1.000 21.579 0 121 PHE AAA CD1 1 ? 
ATOM   1015 C CD2 . PHE A 1 123 ? 4.585   18.728 8.968  1.000 20.133 0 121 PHE AAA CD2 1 ? 
ATOM   1016 C CE1 . PHE A 1 123 ? 6.176   17.866 11.039 1.000 21.155 0 121 PHE AAA CE1 1 ? 
ATOM   1017 C CE2 . PHE A 1 123 ? 4.480   17.428 9.435  1.000 20.865 0 121 PHE AAA CE2 1 ? 
ATOM   1018 C CZ  . PHE A 1 123 ? 5.287   16.992 10.457 1.000 20.263 0 121 PHE AAA CZ  1 ? 
ATOM   1019 N N   . LYS A 1 124 ? 5.512   20.507 5.953  1.000 20.219 0 122 LYS AAA N   1 ? 
ATOM   1020 C CA  . LYS A 1 124 ? 5.109   19.560 4.877  1.000 21.485 0 122 LYS AAA CA  1 ? 
ATOM   1021 C C   . LYS A 1 124 ? 6.289   19.214 3.978  1.000 19.673 0 122 LYS AAA C   1 ? 
ATOM   1022 O O   . LYS A 1 124 ? 6.553   18.031 3.801  1.000 19.167 0 122 LYS AAA O   1 ? 
ATOM   1023 C CB  . LYS A 1 124 ? 3.852   20.037 4.156  1.000 25.017 0 122 LYS AAA CB  1 ? 
ATOM   1024 C CG  . LYS A 1 124 ? 2.626   19.952 5.051  1.000 28.047 0 122 LYS AAA CG  1 ? 
ATOM   1025 C CD  . LYS A 1 124 ? 1.307   19.818 4.343  1.000 30.504 0 122 LYS AAA CD  1 ? 
ATOM   1026 C CE  . LYS A 1 124 ? 0.153   20.036 5.286  1.000 32.985 0 122 LYS AAA CE  1 ? 
ATOM   1027 N NZ  . LYS A 1 124 ? -1.147  19.922 4.584  1.000 32.031 0 122 LYS AAA NZ  1 ? 
ATOM   1028 N N   . PRO A 1 125 ? 7.037   20.163 3.356  1.000 19.108 0 123 PRO AAA N   1 ? 
ATOM   1029 C CA  . PRO A 1 125 ? 8.179   19.773 2.527  1.000 19.231 0 123 PRO AAA CA  1 ? 
ATOM   1030 C C   . PRO A 1 125 ? 9.252   19.010 3.316  1.000 17.991 0 123 PRO AAA C   1 ? 
ATOM   1031 O O   . PRO A 1 125 ? 9.910   18.167 2.742  1.000 17.923 0 123 PRO AAA O   1 ? 
ATOM   1032 C CB  . PRO A 1 125 ? 8.727   21.073 1.929  1.000 20.726 0 123 PRO AAA CB  1 ? 
ATOM   1033 C CG  . PRO A 1 125 ? 7.558   22.059 2.067  1.000 22.289 0 123 PRO AAA CG  1 ? 
ATOM   1034 C CD  . PRO A 1 125 ? 6.740   21.601 3.262  1.000 21.046 0 123 PRO AAA CD  1 ? 
ATOM   1035 N N   . LEU A 1 126 ? 9.423   19.334 4.600  1.000 18.673 0 124 LEU AAA N   1 ? 
ATOM   1036 C CA  . LEU A 1 126 ? 10.406  18.634 5.475  1.000 17.712 0 124 LEU AAA CA  1 ? 
ATOM   1037 C C   . LEU A 1 126 ? 9.972   17.164 5.585  1.000 16.826 0 124 LEU AAA C   1 ? 
ATOM   1038 O O   . LEU A 1 126 ? 10.793  16.233 5.300  1.000 16.773 0 124 LEU AAA O   1 ? 
ATOM   1039 C CB  . LEU A 1 126 ? 10.461  19.325 6.846  1.000 18.332 0 124 LEU AAA CB  1 ? 
ATOM   1040 C CG  . LEU A 1 126 ? 11.189  18.576 7.966  1.000 20.519 0 124 LEU AAA CG  1 ? 
ATOM   1041 C CD1 . LEU A 1 126 ? 12.642  18.351 7.612  1.000 23.030 0 124 LEU AAA CD1 1 ? 
ATOM   1042 C CD2 . LEU A 1 126 ? 11.097  19.341 9.288  1.000 21.783 0 124 LEU AAA CD2 1 ? 
ATOM   1043 N N   . TRP A 1 127 ? 8.716   16.930 5.928  1.000 15.948 0 125 TRP AAA N   1 ? 
ATOM   1044 C CA  . TRP A 1 127 ? 8.183   15.546 5.983  1.000 15.442 0 125 TRP AAA CA  1 ? 
ATOM   1045 C C   . TRP A 1 127 ? 8.419   14.877 4.623  1.000 16.275 0 125 TRP AAA C   1 ? 
ATOM   1046 O O   . TRP A 1 127 ? 8.972   13.743 4.591  1.000 15.493 0 125 TRP AAA O   1 ? 
ATOM   1047 C CB  . TRP A 1 127 ? 6.707   15.558 6.401  1.000 15.442 0 125 TRP AAA CB  1 ? 
ATOM   1048 C CG  . TRP A 1 127 ? 6.096   14.192 6.555  1.000 15.083 0 125 TRP AAA CG  1 ? 
ATOM   1049 C CD1 . TRP A 1 127 ? 5.560   13.429 5.570  1.000 15.317 0 125 TRP AAA CD1 1 ? 
ATOM   1050 C CD2 . TRP A 1 127 ? 5.965   13.421 7.767  1.000 14.198 0 125 TRP AAA CD2 1 ? 
ATOM   1051 N NE1 . TRP A 1 127 ? 5.133   12.225 6.057  1.000 15.444 0 125 TRP AAA NE1 1 ? 
ATOM   1052 C CE2 . TRP A 1 127 ? 5.352   12.201 7.408  1.000 15.252 0 125 TRP AAA CE2 1 ? 
ATOM   1053 C CE3 . TRP A 1 127 ? 6.307   13.646 9.105  1.000 14.222 0 125 TRP AAA CE3 1 ? 
ATOM   1054 C CZ2 . TRP A 1 127 ? 5.057   11.222 8.346  1.000 15.611 0 125 TRP AAA CZ2 1 ? 
ATOM   1055 C CZ3 . TRP A 1 127 ? 6.028   12.671 10.033 1.000 14.309 0 125 TRP AAA CZ3 1 ? 
ATOM   1056 C CH2 . TRP A 1 127 ? 5.449   11.459 9.649  1.000 15.602 0 125 TRP AAA CH2 1 ? 
ATOM   1057 N N   . ALA A 1 128 ? 7.956   15.522 3.541  1.000 15.427 0 126 ALA AAA N   1 ? 
ATOM   1058 C CA  . ALA A 1 128 ? 7.979   14.972 2.165  1.000 18.319 0 126 ALA AAA CA  1 ? 
ATOM   1059 C C   . ALA A 1 128 ? 9.396   14.516 1.817  1.000 18.199 0 126 ALA AAA C   1 ? 
ATOM   1060 O O   . ALA A 1 128 ? 9.547   13.391 1.283  1.000 17.725 0 126 ALA AAA O   1 ? 
ATOM   1061 C CB  . ALA A 1 128 ? 7.473   15.994 1.178  1.000 19.618 0 126 ALA AAA CB  1 ? 
ATOM   1062 N N   . ARG A 1 129 ? 10.384  15.363 2.093  1.000 18.534 0 127 ARG AAA N   1 ? 
ATOM   1063 C CA  . ARG A 1 129 ? 11.790  15.125 1.695  1.000 20.249 0 127 ARG AAA CA  1 ? 
ATOM   1064 C C   . ARG A 1 129 ? 12.319  13.927 2.484  1.000 21.968 0 127 ARG AAA C   1 ? 
ATOM   1065 O O   . ARG A 1 129 ? 13.308  13.370 2.048  1.000 22.665 0 127 ARG AAA O   1 ? 
ATOM   1066 C CB  . ARG A 1 129 ? 12.658  16.368 1.921  1.000 20.667 0 127 ARG AAA CB  1 ? 
ATOM   1067 N N   . ASN A 1 130 ? 11.702  13.568 3.618  1.000 19.522 0 128 ASN AAA N   1 ? 
ATOM   1068 C CA  . ASN A 1 130 ? 12.265  12.509 4.490  1.000 19.124 0 128 ASN AAA CA  1 ? 
ATOM   1069 C C   . ASN A 1 130 ? 11.511  11.187 4.336  1.000 19.619 0 128 ASN AAA C   1 ? 
ATOM   1070 O O   . ASN A 1 130 ? 11.933  10.226 4.984  1.000 21.009 0 128 ASN AAA O   1 ? 
ATOM   1071 C CB  . ASN A 1 130 ? 12.350  12.991 5.940  1.000 18.386 0 128 ASN AAA CB  1 ? 
ATOM   1072 C CG  . ASN A 1 130 ? 13.537  13.888 6.181  1.000 19.674 0 128 ASN AAA CG  1 ? 
ATOM   1073 O OD1 . ASN A 1 130 ? 14.649  13.405 6.333  1.000 20.184 0 128 ASN AAA OD1 1 ? 
ATOM   1074 N ND2 . ASN A 1 130 ? 13.334  15.194 6.172  1.000 17.273 0 128 ASN AAA ND2 1 ? 
ATOM   1075 N N   . VAL A 1 131 ? 10.423  11.116 3.567  1.000 20.646 0 129 VAL AAA N   1 ? 
ATOM   1076 C CA  . VAL A 1 131 ? 9.570   9.889  3.490  1.000 22.742 0 129 VAL AAA CA  1 ? 
ATOM   1077 C C   . VAL A 1 131 ? 10.470  8.738  3.045  1.000 23.718 0 129 VAL AAA C   1 ? 
ATOM   1078 O O   . VAL A 1 131 ? 11.251  8.922  2.106  1.000 24.704 0 129 VAL AAA O   1 ? 
ATOM   1079 C CB  . VAL A 1 131 ? 8.376   10.078 2.531  1.000 23.028 0 129 VAL AAA CB  1 ? 
ATOM   1080 C CG1 . VAL A 1 131 ? 7.648   8.768  2.219  1.000 25.478 0 129 VAL AAA CG1 1 ? 
ATOM   1081 C CG2 . VAL A 1 131 ? 7.403   11.117 3.063  1.000 22.269 0 129 VAL AAA CG2 1 ? 
ATOM   1082 N N   . PRO A 1 132 ? 10.423  7.525  3.651  1.000 21.674 0 130 PRO AAA N   1 ? 
ATOM   1083 C CA  . PRO A 1 132 ? 9.514   7.157  4.751  1.000 20.307 0 130 PRO AAA CA  1 ? 
ATOM   1084 C C   . PRO A 1 132 ? 10.157  7.125  6.147  1.000 18.576 0 130 PRO AAA C   1 ? 
ATOM   1085 O O   . PRO A 1 132 ? 9.648   6.452  7.052  1.000 19.811 0 130 PRO AAA O   1 ? 
ATOM   1086 C CB  . PRO A 1 132 ? 9.175   5.713  4.316  1.000 21.243 0 130 PRO AAA CB  1 ? 
ATOM   1087 C CG  . PRO A 1 132 ? 10.533  5.168  3.865  1.000 22.929 0 130 PRO AAA CG  1 ? 
ATOM   1088 C CD  . PRO A 1 132 ? 11.226  6.368  3.213  1.000 22.191 0 130 PRO AAA CD  1 ? 
ATOM   1089 N N   . LYS A 1 133 ? 11.250  7.863  6.316  1.000 17.213 0 131 LYS AAA N   1 ? 
ATOM   1090 C CA  . LYS A 1 133 ? 12.108  7.803  7.513  1.000 18.452 0 131 LYS AAA CA  1 ? 
ATOM   1091 C C   . LYS A 1 133 ? 11.395  8.370  8.746  1.000 16.829 0 131 LYS AAA C   1 ? 
ATOM   1092 O O   . LYS A 1 133 ? 11.705  7.911  9.832  1.000 18.453 0 131 LYS AAA O   1 ? 
ATOM   1093 C CB  . LYS A 1 133 ? 13.408  8.544  7.230  1.000 19.241 0 131 LYS AAA CB  1 ? 
ATOM   1094 C CG  . LYS A 1 133 ? 14.289  7.857  6.197  1.000 21.516 0 131 LYS AAA CG  1 ? 
ATOM   1095 C CD  . LYS A 1 133 ? 15.642  8.514  6.039  1.000 22.727 0 131 LYS AAA CD  1 ? 
ATOM   1096 C CE  . LYS A 1 133 ? 15.581  9.772  5.210  1.000 24.602 0 131 LYS AAA CE  1 ? 
ATOM   1097 N NZ  . LYS A 1 133 ? 16.937  10.301 4.923  1.000 25.056 0 131 LYS AAA NZ  1 ? 
ATOM   1098 N N   . PHE A 1 134 ? 10.544  9.383  8.600  1.000 16.457 0 132 PHE AAA N   1 ? 
ATOM   1099 C CA  . PHE A 1 134 ? 9.823   10.020 9.734  1.000 15.861 0 132 PHE AAA CA  1 ? 
ATOM   1100 C C   . PHE A 1 134 ? 8.542   9.235  10.025 1.000 14.673 0 132 PHE AAA C   1 ? 
ATOM   1101 O O   . PHE A 1 134 ? 7.846   8.756  9.079  1.000 13.991 0 132 PHE AAA O   1 ? 
ATOM   1102 C CB  . PHE A 1 134 ? 9.498   11.495 9.469  1.000 16.179 0 132 PHE AAA CB  1 ? 
ATOM   1103 C CG  . PHE A 1 134 ? 10.655  12.457 9.516  1.000 16.230 0 132 PHE AAA CG  1 ? 
ATOM   1104 C CD1 . PHE A 1 134 ? 11.947  12.030 9.750  1.000 17.450 0 132 PHE AAA CD1 1 ? 
ATOM   1105 C CD2 . PHE A 1 134 ? 10.457  13.803 9.276  1.000 17.993 0 132 PHE AAA CD2 1 ? 
ATOM   1106 C CE1 . PHE A 1 134 ? 13.009  12.922 9.794  1.000 18.893 0 132 PHE AAA CE1 1 ? 
ATOM   1107 C CE2 . PHE A 1 134 ? 11.525  14.693 9.289  1.000 17.992 0 132 PHE AAA CE2 1 ? 
ATOM   1108 C CZ  . PHE A 1 134 ? 12.798  14.254 9.542  1.000 16.919 0 132 PHE AAA CZ  1 ? 
ATOM   1109 N N   . GLY A 1 135 ? 8.237   9.055  11.311 1.000 13.182 0 133 GLY AAA N   1 ? 
ATOM   1110 C CA  . GLY A 1 135 ? 6.942   8.475  11.729 1.000 13.051 0 133 GLY AAA CA  1 ? 
ATOM   1111 C C   . GLY A 1 135 ? 6.277   9.286  12.805 1.000 13.645 0 133 GLY AAA C   1 ? 
ATOM   1112 O O   . GLY A 1 135 ? 6.553   10.540 12.917 1.000 14.154 0 133 GLY AAA O   1 ? 
ATOM   1113 N N   . LEU A 1 136 ? 5.427   8.638  13.599 1.000 13.375 0 134 LEU AAA N   1 ? 
ATOM   1114 C CA  . LEU A 1 136 ? 4.584   9.371  14.579 1.000 14.303 0 134 LEU AAA CA  1 ? 
ATOM   1115 C C   . LEU A 1 136 ? 5.451   10.099 15.613 1.000 14.591 0 134 LEU AAA C   1 ? 
ATOM   1116 O O   . LEU A 1 136 ? 5.114   11.251 15.955 1.000 14.342 0 134 LEU AAA O   1 ? 
ATOM   1117 C CB  . LEU A 1 136 ? 3.585   8.412  15.216 1.000 14.800 0 134 LEU AAA CB  1 ? 
ATOM   1118 C CG  . LEU A 1 136 ? 2.621   7.780  14.215 1.000 15.612 0 134 LEU AAA CG  1 ? 
ATOM   1119 C CD1 . LEU A 1 136 ? 1.615   6.899  14.932 1.000 16.797 0 134 LEU AAA CD1 1 ? 
ATOM   1120 C CD2 . LEU A 1 136 ? 1.929   8.875  13.394 1.000 16.560 0 134 LEU AAA CD2 1 ? 
ATOM   1121 N N   . ALA A 1 137 ? 6.554   9.504  16.052 1.000 13.918 0 135 ALA AAA N   1 ? 
ATOM   1122 C CA  . ALA A 1 137 ? 7.517   10.185 16.952 1.000 13.558 0 135 ALA AAA CA  1 ? 
ATOM   1123 C C   . ALA A 1 137 ? 7.956   11.524 16.372 1.000 13.781 0 135 ALA AAA C   1 ? 
ATOM   1124 O O   . ALA A 1 137 ? 8.032   12.510 17.161 1.000 13.615 0 135 ALA AAA O   1 ? 
ATOM   1125 C CB  . ALA A 1 137 ? 8.708   9.293  17.236 1.000 13.793 0 135 ALA AAA CB  1 ? 
ATOM   1126 N N   . HIS A 1 138 ? 8.318   11.547 15.086 1.000 13.583 0 136 HIS AAA N   1 ? 
ATOM   1127 C CA  . HIS A 1 138 ? 8.795   12.769 14.381 1.000 14.135 0 136 HIS AAA CA  1 ? 
ATOM   1128 C C   . HIS A 1 138 ? 7.642   13.773 14.242 1.000 14.114 0 136 HIS AAA C   1 ? 
ATOM   1129 O O   . HIS A 1 138 ? 7.850   14.993 14.415 1.000 14.937 0 136 HIS AAA O   1 ? 
ATOM   1130 C CB  . HIS A 1 138 ? 9.444   12.392 13.033 1.000 13.152 0 136 HIS AAA CB  1 ? 
ATOM   1131 C CG  . HIS A 1 138 ? 10.563  11.403 13.134 1.000 13.510 0 136 HIS AAA CG  1 ? 
ATOM   1132 N ND1 . HIS A 1 138 ? 10.331  10.037 13.177 1.000 13.205 0 136 HIS AAA ND1 1 ? 
ATOM   1133 C CD2 . HIS A 1 138 ? 11.902  11.579 13.274 1.000 12.868 0 136 HIS AAA CD2 1 ? 
ATOM   1134 C CE1 . HIS A 1 138 ? 11.483  9.407  13.336 1.000 14.440 0 136 HIS AAA CE1 1 ? 
ATOM   1135 N NE2 . HIS A 1 138 ? 12.483  10.334 13.362 1.000 13.779 0 136 HIS AAA NE2 1 ? 
ATOM   1136 N N   . LEU A 1 139 ? 6.431   13.299 13.961 1.000 16.101 0 137 LEU AAA N   1 ? 
ATOM   1137 C CA  . LEU A 1 139 ? 5.242   14.182 13.874 1.000 15.737 0 137 LEU AAA CA  1 ? 
ATOM   1138 C C   . LEU A 1 139 ? 5.040   14.905 15.211 1.000 15.854 0 137 LEU AAA C   1 ? 
ATOM   1139 O O   . LEU A 1 139 ? 4.762   16.116 15.215 1.000 16.539 0 137 LEU AAA O   1 ? 
ATOM   1140 C CB  . LEU A 1 139 ? 4.035   13.329 13.486 1.000 17.789 0 137 LEU AAA CB  1 ? 
ATOM   1141 C CG  . LEU A 1 139 ? 2.695   14.056 13.367 1.000 19.079 0 137 LEU AAA CG  1 ? 
ATOM   1142 C CD1 . LEU A 1 139 ? 2.705   15.056 12.225 1.000 23.282 0 137 LEU AAA CD1 1 ? 
ATOM   1143 C CD2 . LEU A 1 139 ? 1.572   13.044 13.186 1.000 20.858 0 137 LEU AAA CD2 1 ? 
ATOM   1144 N N   . MET A 1 140 ? 5.209   14.196 16.317 1.000 15.410 0 138 MET AAA N   1 ? 
ATOM   1145 C CA  . MET A 1 140 ? 5.087   14.802 17.667 1.000 14.394 0 138 MET AAA CA  1 ? 
ATOM   1146 C C   . MET A 1 140 ? 6.255   15.779 17.899 1.000 13.613 0 138 MET AAA C   1 ? 
ATOM   1147 O O   . MET A 1 140 ? 6.002   16.913 18.321 1.000 13.170 0 138 MET AAA O   1 ? 
ATOM   1148 C CB  . MET A 1 140 ? 5.096   13.670 18.693 1.000 15.059 0 138 MET AAA CB  1 ? 
ATOM   1149 C CG  . MET A 1 140 ? 3.876   12.725 18.576 1.000 14.673 0 138 MET AAA CG  1 ? 
ATOM   1150 S SD  . MET A 1 140 ? 2.305   13.566 18.969 1.000 15.506 0 138 MET AAA SD  1 ? 
ATOM   1151 C CE  . MET A 1 140 ? 2.372   13.646 20.752 1.000 17.966 0 138 MET AAA CE  1 ? 
ATOM   1152 N N   . ALA A 1 141 ? 7.496   15.353 17.647 1.000 13.343 0 139 ALA AAA N   1 ? 
ATOM   1153 C CA  . ALA A 1 141 ? 8.713   16.142 17.957 1.000 13.350 0 139 ALA AAA CA  1 ? 
ATOM   1154 C C   . ALA A 1 141 ? 8.775   17.413 17.094 1.000 15.026 0 139 ALA AAA C   1 ? 
ATOM   1155 O O   . ALA A 1 141 ? 9.152   18.456 17.624 1.000 13.976 0 139 ALA AAA O   1 ? 
ATOM   1156 C CB  . ALA A 1 141 ? 9.940   15.305 17.746 1.000 13.157 0 139 ALA AAA CB  1 ? 
ATOM   1157 N N   . LEU A 1 142 ? 8.460   17.311 15.795 1.000 15.259 0 140 LEU AAA N   1 ? 
ATOM   1158 C CA  . LEU A 1 142 ? 8.626   18.404 14.800 1.000 15.691 0 140 LEU AAA CA  1 ? 
ATOM   1159 C C   . LEU A 1 142 ? 7.306   19.132 14.529 1.000 16.658 0 140 LEU AAA C   1 ? 
ATOM   1160 O O   . LEU A 1 142 ? 7.358   20.270 13.940 1.000 15.954 0 140 LEU AAA O   1 ? 
ATOM   1161 C CB  . LEU A 1 142 ? 9.174   17.816 13.507 1.000 16.510 0 140 LEU AAA CB  1 ? 
ATOM   1162 C CG  . LEU A 1 142 ? 10.588  17.247 13.562 1.000 16.944 0 140 LEU AAA CG  1 ? 
ATOM   1163 C CD1 . LEU A 1 142 ? 10.880  16.484 12.286 1.000 17.437 0 140 LEU AAA CD1 1 ? 
ATOM   1164 C CD2 . LEU A 1 142 ? 11.609  18.358 13.778 1.000 18.845 0 140 LEU AAA CD2 1 ? 
ATOM   1165 N N   . GLY A 1 143 ? 6.167   18.529 14.880 1.000 14.603 0 141 GLY AAA N   1 ? 
ATOM   1166 C CA  . GLY A 1 143 ? 4.859   19.117 14.555 1.000 15.752 0 141 GLY AAA CA  1 ? 
ATOM   1167 C C   . GLY A 1 143 ? 4.138   19.617 15.783 1.000 16.892 0 141 GLY AAA C   1 ? 
ATOM   1168 O O   . GLY A 1 143 ? 4.061   20.837 15.973 1.000 17.481 0 141 GLY AAA O   1 ? 
ATOM   1169 N N   . LEU A 1 144 ? 3.592   18.713 16.593 1.000 16.008 0 142 LEU AAA N   1 ? 
ATOM   1170 C CA  . LEU A 1 144 ? 2.761   19.126 17.745 1.000 16.423 0 142 LEU AAA CA  1 ? 
ATOM   1171 C C   . LEU A 1 144 ? 3.621   19.864 18.778 1.000 16.918 0 142 LEU AAA C   1 ? 
ATOM   1172 O O   . LEU A 1 144 ? 3.129   20.920 19.324 1.000 17.750 0 142 LEU AAA O   1 ? 
ATOM   1173 C CB  . LEU A 1 144 ? 2.042   17.914 18.354 1.000 17.495 0 142 LEU AAA CB  1 ? 
ATOM   1174 C CG  . LEU A 1 144 ? 1.206   18.231 19.603 1.000 17.762 0 142 LEU AAA CG  1 ? 
ATOM   1175 C CD1 . LEU A 1 144 ? 0.090   19.208 19.285 1.000 18.352 0 142 LEU AAA CD1 1 ? 
ATOM   1176 C CD2 . LEU A 1 144 ? 0.645   16.965 20.257 1.000 18.430 0 142 LEU AAA CD2 1 ? 
ATOM   1177 N N   . GLY A 1 145 ? 4.846   19.385 19.030 1.000 15.418 0 143 GLY AAA N   1 ? 
ATOM   1178 C CA  . GLY A 1 145 ? 5.727   19.940 20.077 1.000 15.575 0 143 GLY AAA CA  1 ? 
ATOM   1179 C C   . GLY A 1 145 ? 5.874   21.452 19.916 1.000 15.671 0 143 GLY AAA C   1 ? 
ATOM   1180 O O   . GLY A 1 145 ? 5.514   22.238 20.808 1.000 16.945 0 143 GLY AAA O   1 ? 
ATOM   1181 N N   . PRO A 1 146 ? 6.423   21.921 18.775 1.000 15.376 0 144 PRO AAA N   1 ? 
ATOM   1182 C CA  . PRO A 1 146 ? 6.579   23.362 18.531 1.000 16.801 0 144 PRO AAA CA  1 ? 
ATOM   1183 C C   . PRO A 1 146 ? 5.267   24.135 18.379 1.000 15.899 0 144 PRO AAA C   1 ? 
ATOM   1184 O O   . PRO A 1 146 ? 5.258   25.323 18.663 1.000 16.699 0 144 PRO AAA O   1 ? 
ATOM   1185 C CB  . PRO A 1 146 ? 7.416   23.470 17.240 1.000 17.351 0 144 PRO AAA CB  1 ? 
ATOM   1186 C CG  . PRO A 1 146 ? 7.281   22.100 16.594 1.000 16.930 0 144 PRO AAA CG  1 ? 
ATOM   1187 C CD  . PRO A 1 146 ? 6.993   21.098 17.698 1.000 16.805 0 144 PRO AAA CD  1 ? 
ATOM   1188 N N   . TRP A 1 147 ? 4.196   23.484 17.905 1.000 15.130 0 145 TRP AAA N   1 ? 
ATOM   1189 C CA  . TRP A 1 147 ? 2.846   24.093 17.866 1.000 15.270 0 145 TRP AAA CA  1 ? 
ATOM   1190 C C   . TRP A 1 147 ? 2.410   24.462 19.294 1.000 15.686 0 145 TRP AAA C   1 ? 
ATOM   1191 O O   . TRP A 1 147 ? 2.024   25.615 19.507 1.000 15.676 0 145 TRP AAA O   1 ? 
ATOM   1192 C CB  . TRP A 1 147 ? 1.846   23.149 17.213 1.000 15.530 0 145 TRP AAA CB  1 ? 
ATOM   1193 C CG  . TRP A 1 147 ? 0.493   23.733 16.940 1.000 15.994 0 145 TRP AAA CG  1 ? 
ATOM   1194 C CD1 . TRP A 1 147 ? 0.110   24.370 15.794 1.000 16.594 0 145 TRP AAA CD1 1 ? 
ATOM   1195 C CD2 . TRP A 1 147 ? -0.653  23.735 17.809 1.000 15.804 0 145 TRP AAA CD2 1 ? 
ATOM   1196 N NE1 . TRP A 1 147 ? -1.204  24.749 15.887 1.000 18.287 0 145 TRP AAA NE1 1 ? 
ATOM   1197 C CE2 . TRP A 1 147 ? -1.702  24.366 17.101 1.000 17.506 0 145 TRP AAA CE2 1 ? 
ATOM   1198 C CE3 . TRP A 1 147 ? -0.904  23.241 19.093 1.000 17.007 0 145 TRP AAA CE3 1 ? 
ATOM   1199 C CZ2 . TRP A 1 147 ? -2.970  24.529 17.643 1.000 17.467 0 145 TRP AAA CZ2 1 ? 
ATOM   1200 C CZ3 . TRP A 1 147 ? -2.162  23.390 19.627 1.000 17.915 0 145 TRP AAA CZ3 1 ? 
ATOM   1201 C CH2 . TRP A 1 147 ? -3.175  24.034 18.913 1.000 18.185 0 145 TRP AAA CH2 1 ? 
ATOM   1202 N N   . LEU A 1 148 ? 2.502   23.540 20.250 1.000 14.665 0 146 LEU AAA N   1 ? 
ATOM   1203 C CA  . LEU A 1 148 ? 2.115   23.848 21.650 1.000 15.408 0 146 LEU AAA CA  1 ? 
ATOM   1204 C C   . LEU A 1 148 ? 2.932   25.033 22.169 1.000 15.612 0 146 LEU AAA C   1 ? 
ATOM   1205 O O   . LEU A 1 148 ? 2.325   25.891 22.811 1.000 17.299 0 146 LEU AAA O   1 ? 
ATOM   1206 C CB  . LEU A 1 148 ? 2.327   22.646 22.564 1.000 15.674 0 146 LEU AAA CB  1 ? 
ATOM   1207 C CG  . LEU A 1 148 ? 1.441   21.440 22.254 1.000 16.383 0 146 LEU AAA CG  1 ? 
ATOM   1208 C CD1 . LEU A 1 148 ? 1.913   20.246 23.056 1.000 17.348 0 146 LEU AAA CD1 1 ? 
ATOM   1209 C CD2 . LEU A 1 148 ? -0.027  21.745 22.518 1.000 16.989 0 146 LEU AAA CD2 1 ? 
ATOM   1210 N N   . ALA A 1 149 ? 4.248   25.030 21.950 1.000 14.650 0 147 ALA AAA N   1 ? 
ATOM   1211 C CA  . ALA A 1 149 ? 5.185   26.050 22.481 1.000 15.404 0 147 ALA AAA CA  1 ? 
ATOM   1212 C C   . ALA A 1 149 ? 4.835   27.436 21.942 1.000 15.677 0 147 ALA AAA C   1 ? 
ATOM   1213 O O   . ALA A 1 149 ? 5.396   28.408 22.491 1.000 16.353 0 147 ALA AAA O   1 ? 
ATOM   1214 C CB  . ALA A 1 149 ? 6.610   25.691 22.150 1.000 15.560 0 147 ALA AAA CB  1 ? 
ATOM   1215 N N   . VAL A 1 150 ? 4.053   27.550 20.856 1.000 16.292 0 148 VAL AAA N   1 ? 
ATOM   1216 C CA  . VAL A 1 150 ? 3.569   28.888 20.389 1.000 17.553 0 148 VAL AAA CA  1 ? 
ATOM   1217 C C   . VAL A 1 150 ? 2.144   29.121 20.888 1.000 18.112 0 148 VAL AAA C   1 ? 
ATOM   1218 O O   . VAL A 1 150 ? 1.877   30.189 21.513 1.000 17.901 0 148 VAL AAA O   1 ? 
ATOM   1219 C CB  . VAL A 1 150 ? 3.661   29.030 18.861 1.000 18.098 0 148 VAL AAA CB  1 ? 
ATOM   1220 C CG1 . VAL A 1 150 ? 2.976   30.292 18.367 1.000 19.260 0 148 VAL AAA CG1 1 ? 
ATOM   1221 C CG2 . VAL A 1 150 ? 5.112   28.981 18.388 1.000 20.424 0 148 VAL AAA CG2 1 ? 
ATOM   1222 N N   . GLU A 1 151 ? 1.249   28.179 20.613 1.000 17.656 0 149 GLU AAA N   1 ? 
ATOM   1223 C CA  . GLU A 1 151 ? -0.213  28.387 20.757 1.000 18.095 0 149 GLU AAA CA  1 ? 
ATOM   1224 C C   . GLU A 1 151 ? -0.630  28.353 22.227 1.000 18.848 0 149 GLU AAA C   1 ? 
ATOM   1225 O O   . GLU A 1 151 ? -1.483  29.176 22.599 1.000 19.955 0 149 GLU AAA O   1 ? 
ATOM   1226 C CB  . GLU A 1 151 ? -0.990  27.341 19.968 1.000 20.190 0 149 GLU AAA CB  1 ? 
ATOM   1227 C CG  . GLU A 1 151 ? -0.747  27.430 18.492 1.000 21.160 0 149 GLU AAA CG  1 ? 
ATOM   1228 C CD  . GLU A 1 151 ? -0.961  28.803 17.869 1.000 25.708 0 149 GLU AAA CD  1 ? 
ATOM   1229 O OE1 . GLU A 1 151 ? -1.893  29.481 18.271 1.000 26.749 0 149 GLU AAA OE1 1 ? 
ATOM   1230 O OE2 . GLU A 1 151 ? -0.181  29.165 16.993 1.000 26.846 0 149 GLU AAA OE2 1 ? 
ATOM   1231 N N   . ILE A 1 152 ? -0.059  27.472 23.054 1.000 18.261 0 150 ILE AAA N   1 ? 
ATOM   1232 C CA  . ILE A 1 152 ? -0.574  27.351 24.445 1.000 18.473 0 150 ILE AAA CA  1 ? 
ATOM   1233 C C   . ILE A 1 152 ? -0.269  28.641 25.217 1.000 19.229 0 150 ILE AAA C   1 ? 
ATOM   1234 O O   . ILE A 1 152 ? -1.178  29.170 25.864 1.000 18.807 0 150 ILE AAA O   1 ? 
ATOM   1235 C CB  . ILE A 1 152 ? -0.148  26.045 25.136 1.000 18.560 0 150 ILE AAA CB  1 ? 
ATOM   1236 C CG1 . ILE A 1 152 ? -0.496  24.813 24.285 1.000 20.470 0 150 ILE AAA CG1 1 ? 
ATOM   1237 C CG2 . ILE A 1 152 ? -0.780  25.945 26.515 1.000 17.178 0 150 ILE AAA CG2 1 ? 
ATOM   1238 C CD1 . ILE A 1 152 ? -1.933  24.760 23.821 1.000 20.605 0 150 ILE AAA CD1 1 ? 
ATOM   1239 N N   . PRO A 1 153 ? 0.973   29.192 25.201 1.000 18.519 0 151 PRO AAA N   1 ? 
ATOM   1240 C CA  . PRO A 1 153 ? 1.252   30.469 25.875 1.000 18.280 0 151 PRO AAA CA  1 ? 
ATOM   1241 C C   . PRO A 1 153 ? 0.346   31.617 25.442 1.000 18.561 0 151 PRO AAA C   1 ? 
ATOM   1242 O O   . PRO A 1 153 ? -0.044  32.419 26.297 1.000 18.855 0 151 PRO AAA O   1 ? 
ATOM   1243 C CB  . PRO A 1 153 ? 2.714   30.754 25.492 1.000 18.187 0 151 PRO AAA CB  1 ? 
ATOM   1244 C CG  . PRO A 1 153 ? 3.316   29.351 25.380 1.000 17.964 0 151 PRO AAA CG  1 ? 
ATOM   1245 C CD  . PRO A 1 153 ? 2.212   28.546 24.716 1.000 17.862 0 151 PRO AAA CD  1 ? 
ATOM   1246 N N   . ASP A 1 154 ? 0.051   31.664 24.147 1.000 19.213 0 152 ASP AAA N   1 ? 
ATOM   1247 C CA  . ASP A 1 154 ? -0.817  32.684 23.513 1.000 21.710 0 152 ASP AAA CA  1 ? 
ATOM   1248 C C   . ASP A 1 154 ? -2.242  32.567 24.072 1.000 21.755 0 152 ASP AAA C   1 ? 
ATOM   1249 O O   . ASP A 1 154 ? -2.791  33.604 24.490 1.000 20.282 0 152 ASP AAA O   1 ? 
ATOM   1250 C CB  . ASP A 1 154 ? -0.796  32.550 21.996 1.000 24.072 0 152 ASP AAA CB  1 ? 
ATOM   1251 C CG  . ASP A 1 154 ? -1.435  33.751 21.325 1.000 27.516 0 152 ASP AAA CG  1 ? 
ATOM   1252 O OD1 . ASP A 1 154 ? -1.083  34.897 21.688 1.000 30.272 0 152 ASP AAA OD1 1 ? 
ATOM   1253 O OD2 . ASP A 1 154 ? -2.304  33.544 20.489 1.000 27.944 0 152 ASP AAA OD2 1 ? 
ATOM   1254 N N   . LEU A 1 155 ? -2.804  31.356 24.107 1.000 19.623 0 153 LEU AAA N   1 ? 
ATOM   1255 C CA  . LEU A 1 155 ? -4.197  31.131 24.575 1.000 20.561 0 153 LEU AAA CA  1 ? 
ATOM   1256 C C   . LEU A 1 155 ? -4.305  31.406 26.076 1.000 21.707 0 153 LEU AAA C   1 ? 
ATOM   1257 O O   . LEU A 1 155 ? -5.358  31.970 26.488 1.000 22.475 0 153 LEU AAA O   1 ? 
ATOM   1258 C CB  . LEU A 1 155 ? -4.624  29.712 24.203 1.000 22.563 0 153 LEU AAA CB  1 ? 
ATOM   1259 C CG  . LEU A 1 155 ? -4.724  29.481 22.701 1.000 24.844 0 153 LEU AAA CG  1 ? 
ATOM   1260 C CD1 . LEU A 1 155 ? -5.164  28.054 22.428 1.000 25.379 0 153 LEU AAA CD1 1 ? 
ATOM   1261 C CD2 . LEU A 1 155 ? -5.643  30.488 22.029 1.000 26.023 0 153 LEU AAA CD2 1 ? 
ATOM   1262 N N   . ILE A 1 156 ? -3.260  31.113 26.853 1.000 20.831 0 154 ILE AAA N   1 ? 
ATOM   1263 C CA  . ILE A 1 156 ? -3.257  31.449 28.300 1.000 22.114 0 154 ILE AAA CA  1 ? 
ATOM   1264 C C   . ILE A 1 156 ? -3.241  32.977 28.427 1.000 24.544 0 154 ILE AAA C   1 ? 
ATOM   1265 O O   . ILE A 1 156 ? -4.121  33.505 29.120 1.000 22.637 0 154 ILE AAA O   1 ? 
ATOM   1266 C CB  . ILE A 1 156 ? -2.096  30.767 29.040 1.000 21.032 0 154 ILE AAA CB  1 ? 
ATOM   1267 C CG1 . ILE A 1 156 ? -2.260  29.248 29.028 1.000 18.446 0 154 ILE AAA CG1 1 ? 
ATOM   1268 C CG2 . ILE A 1 156 ? -1.949  31.291 30.469 1.000 22.406 0 154 ILE AAA CG2 1 ? 
ATOM   1269 C CD1 . ILE A 1 156 ? -0.999  28.516 29.380 1.000 18.343 0 154 ILE AAA CD1 1 ? 
ATOM   1270 N N   . GLN A 1 157 ? -2.321  33.673 27.753 1.000 25.442 0 155 GLN AAA N   1 ? 
ATOM   1271 C CA  . GLN A 1 157 ? -2.202  35.156 27.915 1.000 27.674 0 155 GLN AAA CA  1 ? 
ATOM   1272 C C   . GLN A 1 157 ? -3.515  35.825 27.492 1.000 28.998 0 155 GLN AAA C   1 ? 
ATOM   1273 O O   . GLN A 1 157 ? -3.886  36.839 28.089 1.000 28.835 0 155 GLN AAA O   1 ? 
ATOM   1274 C CB  . GLN A 1 157 ? -1.058  35.762 27.112 1.000 29.082 0 155 GLN AAA CB  1 ? 
ATOM   1275 C CG  . GLN A 1 157 ? -1.422  36.007 25.662 1.000 34.879 0 155 GLN AAA CG  1 ? 
ATOM   1276 N N   . LYS A 1 158 ? -4.189  35.299 26.479 1.000 26.982 0 156 LYS AAA N   1 ? 
ATOM   1277 C CA  . LYS A 1 158 ? -5.469  35.864 25.985 1.000 27.418 0 156 LYS AAA CA  1 ? 
ATOM   1278 C C   . LYS A 1 158 ? -6.646  35.453 26.878 1.000 25.375 0 156 LYS AAA C   1 ? 
ATOM   1279 O O   . LYS A 1 158 ? -7.780  35.867 26.550 1.000 29.151 0 156 LYS AAA O   1 ? 
ATOM   1280 C CB  . LYS A 1 158 ? -5.704  35.430 24.537 1.000 28.443 0 156 LYS AAA CB  1 ? 
ATOM   1281 C CG  . LYS A 1 158 ? -4.722  36.037 23.555 1.000 29.899 0 156 LYS AAA CG  1 ? 
ATOM   1282 C CD  . LYS A 1 158 ? -4.945  35.612 22.115 1.000 30.751 0 156 LYS AAA CD  1 ? 
ATOM   1283 C CE  . LYS A 1 158 ? -4.095  36.431 21.181 1.000 32.586 0 156 LYS AAA CE  1 ? 
ATOM   1284 N NZ  . LYS A 1 158 ? -4.220  35.975 19.782 1.000 39.402 0 156 LYS AAA NZ  1 ? 
ATOM   1285 N N   . GLY A 1 159 ? -6.414  34.701 27.954 1.000 23.679 0 157 GLY AAA N   1 ? 
ATOM   1286 C CA  . GLY A 1 159 ? -7.470  34.202 28.856 1.000 26.670 0 157 GLY AAA CA  1 ? 
ATOM   1287 C C   . GLY A 1 159 ? -8.447  33.212 28.211 1.000 30.528 0 157 GLY AAA C   1 ? 
ATOM   1288 O O   . GLY A 1 159 ? -9.537  33.012 28.800 1.000 28.307 0 157 GLY AAA O   1 ? 
ATOM   1289 N N   . VAL A 1 160 ? -8.118  32.559 27.089 1.000 27.440 0 158 VAL AAA N   1 ? 
ATOM   1290 C CA  . VAL A 1 160 ? -9.104  31.646 26.431 1.000 30.253 0 158 VAL AAA CA  1 ? 
ATOM   1291 C C   . VAL A 1 160 ? -8.994  30.252 27.061 1.000 33.816 0 158 VAL AAA C   1 ? 
ATOM   1292 O O   . VAL A 1 160 ? -9.971  29.487 26.987 1.000 32.810 0 158 VAL AAA O   1 ? 
ATOM   1293 C CB  . VAL A 1 160 ? -9.044  31.609 24.881 1.000 34.000 0 158 VAL AAA CB  1 ? 
ATOM   1294 C CG1 . VAL A 1 160 ? -8.549  32.903 24.275 1.000 36.395 0 158 VAL AAA CG1 1 ? 
ATOM   1295 C CG2 . VAL A 1 160 ? -8.259  30.454 24.314 1.000 37.621 0 158 VAL AAA CG2 1 ? 
ATOM   1296 N N   . ILE A 1 161 ? -7.858  29.886 27.639 1.000 29.294 0 159 ILE AAA N   1 ? 
ATOM   1297 C CA  . ILE A 1 161 ? -7.790  28.616 28.410 1.000 33.130 0 159 ILE AAA CA  1 ? 
ATOM   1298 C C   . ILE A 1 161 ? -7.333  28.958 29.828 1.000 32.005 0 159 ILE AAA C   1 ? 
ATOM   1299 O O   . ILE A 1 161 ? -6.554  29.906 29.982 1.000 33.983 0 159 ILE AAA O   1 ? 
ATOM   1300 C CB  . ILE A 1 161 ? -6.887  27.578 27.720 1.000 36.642 0 159 ILE AAA CB  1 ? 
ATOM   1301 C CG1 . ILE A 1 161 ? -5.407  27.888 27.899 1.000 36.444 0 159 ILE AAA CG1 1 ? 
ATOM   1302 C CG2 . ILE A 1 161 ? -7.232  27.405 26.250 1.000 37.600 0 159 ILE AAA CG2 1 ? 
ATOM   1303 C CD1 . ILE A 1 161 ? -4.637  26.706 28.407 1.000 40.196 0 159 ILE AAA CD1 1 ? 
ATOM   1304 N N   . HIS A 1 162 ? -7.818  28.213 30.814 1.000 31.198 0 160 HIS AAA N   1 ? 
ATOM   1305 C CA  . HIS A 1 162 ? -7.540  28.424 32.257 1.000 34.376 0 160 HIS AAA CA  1 ? 
ATOM   1306 C C   . HIS A 1 162 ? -7.039  27.108 32.839 1.000 29.957 0 160 HIS AAA C   1 ? 
ATOM   1307 O O   . HIS A 1 162 ? -7.451  26.045 32.347 1.000 31.152 0 160 HIS AAA O   1 ? 
ATOM   1308 C CB  . HIS A 1 162 ? -8.797  28.943 32.980 1.000 37.111 0 160 HIS AAA CB  1 ? 
ATOM   1309 C CG  . HIS A 1 162 ? -9.504  30.008 32.213 1.000 42.483 0 160 HIS AAA CG  1 ? 
ATOM   1310 N ND1 . HIS A 1 162 ? -9.236  31.352 32.401 1.000 42.198 0 160 HIS AAA ND1 1 ? 
ATOM   1311 C CD2 . HIS A 1 162 ? -10.413 29.935 31.212 1.000 44.715 0 160 HIS AAA CD2 1 ? 
ATOM   1312 C CE1 . HIS A 1 162 ? -9.965  32.061 31.564 1.000 44.463 0 160 HIS AAA CE1 1 ? 
ATOM   1313 N NE2 . HIS A 1 162 ? -10.691 31.215 30.816 1.000 42.832 0 160 HIS AAA NE2 1 ? 
ATOM   1314 N N   . HIS A 1 163 ? -6.160  27.173 33.828 1.000 26.443 0 161 HIS AAA N   1 ? 
ATOM   1315 C CA  . HIS A 1 163 ? -5.727  25.989 34.601 1.000 26.356 0 161 HIS AAA CA  1 ? 
ATOM   1316 C C   . HIS A 1 163 ? -6.889  25.543 35.505 1.000 27.309 0 161 HIS AAA C   1 ? 
ATOM   1317 O O   . HIS A 1 163 ? -6.930  24.317 35.685 1.000 36.029 0 161 HIS AAA O   1 ? 
ATOM   1318 C CB  . HIS A 1 163 ? -4.456  26.317 35.380 1.000 25.008 0 161 HIS AAA CB  1 ? 
ATOM   1319 C CG  . HIS A 1 163 ? -3.748  25.102 35.840 1.000 24.009 0 161 HIS AAA CG  1 ? 
ATOM   1320 N ND1 . HIS A 1 163 ? -3.831  24.657 37.127 1.000 24.892 0 161 HIS AAA ND1 1 ? 
ATOM   1321 C CD2 . HIS A 1 163 ? -2.951  24.232 35.194 1.000 24.882 0 161 HIS AAA CD2 1 ? 
ATOM   1322 C CE1 . HIS A 1 163 ? -3.120  23.558 37.259 1.000 23.391 0 161 HIS AAA CE1 1 ? 
ATOM   1323 N NE2 . HIS A 1 163 ? -2.567  23.281 36.104 1.000 24.314 0 161 HIS AAA NE2 1 ? 
HETATM 1324 C C1  . GOL B 2 .   ? 11.883  17.786 21.678 1.000 30.091 0 201 GOL AAA C1  1 ? 
HETATM 1325 O O1  . GOL B 2 .   ? 11.394  16.465 21.687 1.000 26.610 0 201 GOL AAA O1  1 ? 
HETATM 1326 C C2  . GOL B 2 .   ? 10.710  18.655 22.010 1.000 31.815 0 201 GOL AAA C2  1 ? 
HETATM 1327 O O2  . GOL B 2 .   ? 11.161  19.682 22.882 1.000 24.286 0 201 GOL AAA O2  1 ? 
HETATM 1328 C C3  . GOL B 2 .   ? 10.001  19.090 20.746 1.000 26.837 0 201 GOL AAA C3  1 ? 
HETATM 1329 O O3  . GOL B 2 .   ? 8.956   20.029 20.972 1.000 26.243 0 201 GOL AAA O3  1 ? 
HETATM 1330 S S   . SO4 C 3 .   ? -11.436 23.666 7.431  1.000 55.036 0 202 SO4 AAA S   1 ? 
HETATM 1331 O O1  . SO4 C 3 .   ? -10.384 23.694 6.437  1.000 59.315 0 202 SO4 AAA O1  1 ? 
HETATM 1332 O O2  . SO4 C 3 .   ? -11.121 24.633 8.462  1.000 45.326 0 202 SO4 AAA O2  1 ? 
HETATM 1333 O O3  . SO4 C 3 .   ? -12.700 24.009 6.819  1.000 56.949 0 202 SO4 AAA O3  1 ? 
HETATM 1334 O O4  . SO4 C 3 .   ? -11.542 22.333 7.987  1.000 53.930 0 202 SO4 AAA O4  1 ? 
HETATM 1335 O O   . HOH D 4 .   ? 11.615  0.188  26.994 1.000 39.115 0 301 HOH AAA O   1 ? 
HETATM 1336 O O   . HOH D 4 .   ? -7.935  18.990 29.107 1.000 41.332 0 302 HOH AAA O   1 ? 
HETATM 1337 O O   . HOH D 4 .   ? 2.741   22.261 6.671  1.000 35.051 0 303 HOH AAA O   1 ? 
HETATM 1338 O O   . HOH D 4 .   ? -9.368  -0.328 12.551 1.000 22.032 0 304 HOH AAA O   1 ? 
HETATM 1339 O O   . HOH D 4 .   ? 5.056   29.158 2.179  1.000 48.369 0 305 HOH AAA O   1 ? 
HETATM 1340 O O   . HOH D 4 .   ? -10.473 13.505 15.279 1.000 32.735 0 306 HOH AAA O   1 ? 
HETATM 1341 O O   . HOH D 4 .   ? 17.610  14.367 33.699 1.000 34.475 0 307 HOH AAA O   1 ? 
HETATM 1342 O O   . HOH D 4 .   ? -1.126  1.348  21.945 1.000 26.484 0 308 HOH AAA O   1 ? 
HETATM 1343 O O   . HOH D 4 .   ? -15.369 21.767 14.348 1.000 31.037 0 309 HOH AAA O   1 ? 
HETATM 1344 O O   . HOH D 4 .   ? 12.494  7.583  0.297  1.000 33.353 0 310 HOH AAA O   1 ? 
HETATM 1345 O O   . HOH D 4 .   ? 3.079   32.455 21.755 1.000 23.557 0 311 HOH AAA O   1 ? 
HETATM 1346 O O   . HOH D 4 .   ? -3.250  13.397 6.264  1.000 46.379 0 312 HOH AAA O   1 ? 
HETATM 1347 O O   . HOH D 4 .   ? -11.513 17.111 8.524  1.000 47.538 0 313 HOH AAA O   1 ? 
HETATM 1348 O O   . HOH D 4 .   ? -4.961  12.123 9.705  1.000 20.699 0 314 HOH AAA O   1 ? 
HETATM 1349 O O   . HOH D 4 .   ? 7.702   25.638 26.107 1.000 44.627 0 315 HOH AAA O   1 ? 
HETATM 1350 O O   . HOH D 4 .   ? 10.641  22.891 4.636  1.000 42.314 0 316 HOH AAA O   1 ? 
HETATM 1351 O O   . HOH D 4 .   ? 5.810   27.977 28.241 1.000 30.824 0 317 HOH AAA O   1 ? 
HETATM 1352 O O   . HOH D 4 .   ? -5.832  32.516 30.817 1.000 32.065 0 318 HOH AAA O   1 ? 
HETATM 1353 O O   . HOH D 4 .   ? -5.166  32.559 16.718 1.000 41.661 0 319 HOH AAA O   1 ? 
HETATM 1354 O O   . HOH D 4 .   ? -3.456  18.626 11.824 1.000 25.171 0 320 HOH AAA O   1 ? 
HETATM 1355 O O   . HOH D 4 .   ? -8.765  17.913 23.302 1.000 25.647 0 321 HOH AAA O   1 ? 
HETATM 1356 O O   . HOH D 4 .   ? 1.406   26.845 12.945 1.000 30.134 0 322 HOH AAA O   1 ? 
HETATM 1357 O O   . HOH D 4 .   ? -6.990  4.863  8.879  1.000 32.049 0 323 HOH AAA O   1 ? 
HETATM 1358 O O   . HOH D 4 .   ? 14.076  -3.695 2.426  1.000 34.870 0 324 HOH AAA O   1 ? 
HETATM 1359 O O   . HOH D 4 .   ? 1.559   28.022 15.342 1.000 32.145 0 325 HOH AAA O   1 ? 
HETATM 1360 O O   . HOH D 4 .   ? 9.043   17.270 36.448 1.000 46.072 0 326 HOH AAA O   1 ? 
HETATM 1361 O O   . HOH D 4 .   ? 17.177  12.522 27.357 1.000 23.987 0 327 HOH AAA O   1 ? 
HETATM 1362 O O   . HOH D 4 .   ? 15.243  10.339 13.721 1.000 21.012 0 328 HOH AAA O   1 ? 
HETATM 1363 O O   . HOH D 4 .   ? 16.639  13.191 19.303 1.000 33.863 0 329 HOH AAA O   1 ? 
HETATM 1364 O O   . HOH D 4 .   ? 7.246   24.716 28.653 1.000 33.528 0 330 HOH AAA O   1 ? 
HETATM 1365 O O   . HOH D 4 .   ? 11.967  2.730  13.876 1.000 18.828 0 331 HOH AAA O   1 ? 
HETATM 1366 O O   . HOH D 4 .   ? 6.886   11.831 26.305 1.000 18.615 0 332 HOH AAA O   1 ? 
HETATM 1367 O O   . HOH D 4 .   ? 13.323  21.422 11.432 1.000 35.854 0 333 HOH AAA O   1 ? 
HETATM 1368 O O   . HOH D 4 .   ? -12.860 17.100 16.586 1.000 39.568 0 334 HOH AAA O   1 ? 
HETATM 1369 O O   . HOH D 4 .   ? 11.016  12.966 33.760 1.000 43.600 0 335 HOH AAA O   1 ? 
HETATM 1370 O O   . HOH D 4 .   ? 12.928  1.358  20.851 1.000 17.571 0 336 HOH AAA O   1 ? 
HETATM 1371 O O   . HOH D 4 .   ? -3.612  -4.201 6.310  1.000 24.709 0 337 HOH AAA O   1 ? 
HETATM 1372 O O   . HOH D 4 .   ? 11.406  -6.789 11.482 1.000 18.005 0 338 HOH AAA O   1 ? 
HETATM 1373 O O   . HOH D 4 .   ? 6.957   6.621  15.473 1.000 13.605 0 339 HOH AAA O   1 ? 
HETATM 1374 O O   . HOH D 4 .   ? 12.508  -2.435 18.821 1.000 20.566 0 340 HOH AAA O   1 ? 
HETATM 1375 O O   . HOH D 4 .   ? -9.490  27.905 13.791 1.000 42.841 0 341 HOH AAA O   1 ? 
HETATM 1376 O O   . HOH D 4 .   ? 15.942  19.570 7.022  1.000 37.131 0 342 HOH AAA O   1 ? 
HETATM 1377 O O   . HOH D 4 .   ? 7.345   -7.844 11.059 1.000 19.433 0 343 HOH AAA O   1 ? 
HETATM 1378 O O   . HOH D 4 .   ? 13.206  20.629 33.085 1.000 26.295 0 344 HOH AAA O   1 ? 
HETATM 1379 O O   . HOH D 4 .   ? 3.628   34.654 31.590 1.000 36.263 0 345 HOH AAA O   1 ? 
HETATM 1380 O O   . HOH D 4 .   ? 5.108   -8.337 9.456  1.000 22.709 0 346 HOH AAA O   1 ? 
HETATM 1381 O O   . HOH D 4 .   ? 12.949  19.634 30.524 1.000 16.653 0 347 HOH AAA O   1 ? 
HETATM 1382 O O   . HOH D 4 .   ? 3.147   28.519 6.947  1.000 36.268 0 348 HOH AAA O   1 ? 
HETATM 1383 O O   . HOH D 4 .   ? 0.305   29.390 33.265 1.000 22.489 0 349 HOH AAA O   1 ? 
HETATM 1384 O O   . HOH D 4 .   ? 7.324   10.824 33.723 1.000 32.642 0 350 HOH AAA O   1 ? 
HETATM 1385 O O   . HOH D 4 .   ? 1.044   4.322  1.617  1.000 34.554 0 351 HOH AAA O   1 ? 
HETATM 1386 O O   . HOH D 4 .   ? 9.441   21.531 12.647 1.000 31.430 0 352 HOH AAA O   1 ? 
HETATM 1387 O O   . HOH D 4 .   ? -8.772  5.348  10.876 1.000 36.130 0 353 HOH AAA O   1 ? 
HETATM 1388 O O   . HOH D 4 .   ? 13.907  13.486 23.954 1.000 26.209 0 354 HOH AAA O   1 ? 
HETATM 1389 O O   . HOH D 4 .   ? 7.533   9.338  6.379  1.000 22.970 0 355 HOH AAA O   1 ? 
HETATM 1390 O O   . HOH D 4 .   ? 8.991   11.556 6.307  1.000 21.168 0 356 HOH AAA O   1 ? 
HETATM 1391 O O   . HOH D 4 .   ? -12.904 14.786 17.920 1.000 33.100 0 357 HOH AAA O   1 ? 
HETATM 1392 O O   . HOH D 4 .   ? 9.502   21.824 23.552 1.000 28.952 0 358 HOH AAA O   1 ? 
HETATM 1393 O O   . HOH D 4 .   ? 14.820  11.935 21.637 1.000 27.747 0 359 HOH AAA O   1 ? 
HETATM 1394 O O   . HOH D 4 .   ? 22.814  18.685 20.739 1.000 36.515 0 360 HOH AAA O   1 ? 
HETATM 1395 O O   . HOH D 4 .   ? -13.036 10.963 17.597 1.000 36.108 0 361 HOH AAA O   1 ? 
HETATM 1396 O O   . HOH D 4 .   ? 5.982   22.074 28.480 1.000 21.392 0 362 HOH AAA O   1 ? 
HETATM 1397 O O   . HOH D 4 .   ? -14.329 25.041 14.536 1.000 33.953 0 363 HOH AAA O   1 ? 
HETATM 1398 O O   . HOH D 4 .   ? -10.443 25.225 14.430 1.000 24.253 0 364 HOH AAA O   1 ? 
HETATM 1399 O O   . HOH D 4 .   ? -2.777  1.678  3.136  1.000 21.521 0 365 HOH AAA O   1 ? 
HETATM 1400 O O   . HOH D 4 .   ? -6.683  1.166  22.327 1.000 30.786 0 366 HOH AAA O   1 ? 
HETATM 1401 O O   . HOH D 4 .   ? 7.139   28.506 31.637 1.000 24.025 0 367 HOH AAA O   1 ? 
HETATM 1402 O O   . HOH D 4 .   ? -5.034  -1.948 9.313  1.000 28.027 0 368 HOH AAA O   1 ? 
HETATM 1403 O O   . HOH D 4 .   ? -6.959  12.751 12.069 1.000 25.930 0 369 HOH AAA O   1 ? 
HETATM 1404 O O   . HOH D 4 .   ? -6.840  8.419  3.868  1.000 31.934 0 370 HOH AAA O   1 ? 
HETATM 1405 O O   . HOH D 4 .   ? 10.406  18.501 -0.054 1.000 31.662 0 371 HOH AAA O   1 ? 
HETATM 1406 O O   . HOH D 4 .   ? 8.908   15.059 32.583 1.000 20.813 0 372 HOH AAA O   1 ? 
HETATM 1407 O O   . HOH D 4 .   ? -10.470 9.196  19.928 1.000 48.511 0 373 HOH AAA O   1 ? 
HETATM 1408 O O   . HOH D 4 .   ? -14.555 21.696 20.967 1.000 18.979 0 374 HOH AAA O   1 ? 
HETATM 1409 O O   . HOH D 4 .   ? 0.622   31.812 33.923 1.000 37.013 0 375 HOH AAA O   1 ? 
HETATM 1410 O O   . HOH D 4 .   ? 9.568   -0.035 2.124  1.000 18.976 0 376 HOH AAA O   1 ? 
HETATM 1411 O O   . HOH D 4 .   ? -4.745  29.607 34.541 1.000 46.094 0 377 HOH AAA O   1 ? 
HETATM 1412 O O   . HOH D 4 .   ? 2.897   -4.248 14.868 1.000 36.808 0 378 HOH AAA O   1 ? 
HETATM 1413 O O   . HOH D 4 .   ? -2.920  -2.920 0.000  0.500 41.473 0 379 HOH AAA O   1 ? 
HETATM 1414 O O   . HOH D 4 .   ? -0.527  16.867 12.320 1.000 25.326 0 380 HOH AAA O   1 ? 
HETATM 1415 O O   . HOH D 4 .   ? 0.877   23.819 5.030  1.000 34.464 0 381 HOH AAA O   1 ? 
HETATM 1416 O O   . HOH D 4 .   ? -0.771  21.585 8.670  1.000 34.821 0 382 HOH AAA O   1 ? 
HETATM 1417 O O   . HOH D 4 .   ? 15.338  4.384  6.628  1.000 29.670 0 383 HOH AAA O   1 ? 
HETATM 1418 O O   . HOH D 4 .   ? -9.676  26.202 29.652 1.000 36.174 0 384 HOH AAA O   1 ? 
HETATM 1419 O O   . HOH D 4 .   ? 18.010  8.911  26.970 1.000 40.024 0 385 HOH AAA O   1 ? 
HETATM 1420 O O   . HOH D 4 .   ? 18.430  26.496 4.700  1.000 54.283 0 386 HOH AAA O   1 ? 
HETATM 1421 O O   . HOH D 4 .   ? 15.867  16.889 6.591  1.000 31.714 0 387 HOH AAA O   1 ? 
HETATM 1422 O O   . HOH D 4 .   ? 8.259   30.662 33.451 1.000 33.729 0 388 HOH AAA O   1 ? 
HETATM 1423 O O   . HOH D 4 .   ? 13.064  -1.956 10.080 1.000 38.402 0 389 HOH AAA O   1 ? 
HETATM 1424 O O   . HOH D 4 .   ? 13.824  21.730 14.002 1.000 23.300 0 390 HOH AAA O   1 ? 
HETATM 1425 O O   . HOH D 4 .   ? 2.753   1.468  0.083  1.000 58.025 0 391 HOH AAA O   1 ? 
HETATM 1426 O O   . HOH D 4 .   ? 8.010   25.953 3.118  1.000 50.810 0 392 HOH AAA O   1 ? 
HETATM 1427 O O   . HOH D 4 .   ? -6.077  14.277 31.515 1.000 50.462 0 393 HOH AAA O   1 ? 
HETATM 1428 O O   . HOH D 4 .   ? 20.146  13.424 25.637 1.000 34.755 0 394 HOH AAA O   1 ? 
HETATM 1429 O O   . HOH D 4 .   ? 5.472   17.330 31.752 1.000 48.316 0 395 HOH AAA O   1 ? 
HETATM 1430 O O   . HOH D 4 .   ? 6.915   23.676 12.355 1.000 43.520 0 396 HOH AAA O   1 ? 
HETATM 1431 O O   . HOH D 4 .   ? 19.812  2.248  21.417 1.000 26.072 0 397 HOH AAA O   1 ? 
HETATM 1432 O O   . HOH D 4 .   ? -7.419  -1.092 8.062  1.000 46.214 0 398 HOH AAA O   1 ? 
HETATM 1433 O O   . HOH D 4 .   ? -9.065  12.589 13.517 1.000 44.841 0 399 HOH AAA O   1 ? 
HETATM 1434 O O   . HOH D 4 .   ? -8.012  20.121 31.520 1.000 50.148 0 400 HOH AAA O   1 ? 
HETATM 1435 O O   . HOH D 4 .   ? 12.724  26.371 2.068  1.000 47.514 0 401 HOH AAA O   1 ? 
HETATM 1436 O O   . HOH D 4 .   ? 22.142  6.020  24.752 1.000 46.480 0 402 HOH AAA O   1 ? 
HETATM 1437 O O   . HOH D 4 .   ? 10.609  24.195 2.491  1.000 40.559 0 403 HOH AAA O   1 ? 
HETATM 1438 O O   . HOH D 4 .   ? 11.279  22.070 14.931 1.000 20.423 0 404 HOH AAA O   1 ? 
HETATM 1439 O O   . HOH D 4 .   ? -5.545  35.440 15.531 1.000 52.743 0 405 HOH AAA O   1 ? 
HETATM 1440 O O   . HOH D 4 .   ? -15.269 26.016 28.484 1.000 41.890 0 406 HOH AAA O   1 ? 
HETATM 1441 O O   . HOH D 4 .   ? -7.875  34.939 13.970 1.000 51.381 0 407 HOH AAA O   1 ? 
# 
