data_8W3T
# 
_entry.id   8W3T 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.401 
_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   8W3T         pdb_00008w3t 10.2210/pdb8w3t/pdb 
WWPDB D_1000281808 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
1 'Structure model' 1 0 2025-01-15 
2 'Structure model' 1 1 2025-02-05 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume'          
2 2 'Structure model' '_citation.pdbx_database_id_PubMed' 
3 2 'Structure model' '_citation.title'                   
4 2 'Structure model' '_citation_author.identifier_ORCID' 
5 2 'Structure model' '_citation_author.name'             
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8W3T 
_pdbx_database_status.recvd_initial_deposition_date   2024-02-22 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           Y 
# 
_pdbx_contact_author.id                 4 
_pdbx_contact_author.email              celia.schiffer@umassmed.edu 
_pdbx_contact_author.name_first         Celia 
_pdbx_contact_author.name_last          Schiffer 
_pdbx_contact_author.name_mi            A. 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-2270-6613 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Azzolino, V.N.' 1 0000-0003-3186-4760 
'Shaqra, A.M.'   2 0000-0001-6994-2416 
'Schiffer, C.A.' 3 0000-0003-2270-6613 
# 
_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                   CH 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Viruses 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1999-4915 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            17 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Structural Analysis of Inhibitor Binding to Enterovirus-D68 3C Protease.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.3390/v17010075 
_citation.pdbx_database_id_PubMed   39861864 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Azzolino, V.N.'  1 0000-0003-3186-4760 
primary 'Shaqra, A.M.'    2 ?                   
primary 'Ali, A.'         3 0000-0003-3491-791X 
primary 'Kurt Yilmaz, N.' 4 0000-0002-5036-676X 
primary 'Schiffer, C.A.'  5 0000-0003-2270-6613 
# 
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 'Genome polyprotein'                                                                                   21105.969 
1   3.4.22.29,3.6.1.15,3.4.22.28,2.7.7.48 ? ? ? 
2 non-polymer nat 'N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide' 405.488   
1   ?                                     ? ? ? 
3 water       nat water                                                                                                  18.015    
142 ?                                     ? ? ? 
# 
_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       
;GPGFDFAQAIMKKNTVVARTEKGEFTMLGVHDRVAVIPTHASVGETIYINDVETKVLDACALRDLTDTNLEITIVKLDRN
QKFRDIRHFLPRYEDDYNDAVLSVHTSKFPNMYIPVGQVTNYGFLNLGGTPTHRILMYNFPTRAGQCGGVVTTTGKVIGI
HVGGNGAQGFAAMLLHSYFTDTAKHHHHHH
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GPGFDFAQAIMKKNTVVARTEKGEFTMLGVHDRVAVIPTHASVGETIYINDVETKVLDACALRDLTDTNLEITIVKLDRN
QKFRDIRHFLPRYEDDYNDAVLSVHTSKFPNMYIPVGQVTNYGFLNLGGTPTHRILMYNFPTRAGQCGGVVTTTGKVIGI
HVGGNGAQGFAAMLLHSYFTDTAKHHHHHH
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide' UED 
3 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   PRO n 
1 3   GLY n 
1 4   PHE n 
1 5   ASP n 
1 6   PHE n 
1 7   ALA n 
1 8   GLN n 
1 9   ALA n 
1 10  ILE n 
1 11  MET n 
1 12  LYS n 
1 13  LYS n 
1 14  ASN n 
1 15  THR n 
1 16  VAL n 
1 17  VAL n 
1 18  ALA n 
1 19  ARG n 
1 20  THR n 
1 21  GLU n 
1 22  LYS n 
1 23  GLY n 
1 24  GLU n 
1 25  PHE n 
1 26  THR n 
1 27  MET n 
1 28  LEU n 
1 29  GLY n 
1 30  VAL n 
1 31  HIS n 
1 32  ASP n 
1 33  ARG n 
1 34  VAL n 
1 35  ALA n 
1 36  VAL n 
1 37  ILE n 
1 38  PRO n 
1 39  THR n 
1 40  HIS n 
1 41  ALA n 
1 42  SER n 
1 43  VAL n 
1 44  GLY n 
1 45  GLU n 
1 46  THR n 
1 47  ILE n 
1 48  TYR n 
1 49  ILE n 
1 50  ASN n 
1 51  ASP n 
1 52  VAL n 
1 53  GLU n 
1 54  THR n 
1 55  LYS n 
1 56  VAL n 
1 57  LEU n 
1 58  ASP n 
1 59  ALA n 
1 60  CYS n 
1 61  ALA n 
1 62  LEU n 
1 63  ARG n 
1 64  ASP n 
1 65  LEU n 
1 66  THR n 
1 67  ASP n 
1 68  THR n 
1 69  ASN n 
1 70  LEU n 
1 71  GLU n 
1 72  ILE n 
1 73  THR n 
1 74  ILE n 
1 75  VAL n 
1 76  LYS n 
1 77  LEU n 
1 78  ASP n 
1 79  ARG n 
1 80  ASN n 
1 81  GLN n 
1 82  LYS n 
1 83  PHE n 
1 84  ARG n 
1 85  ASP n 
1 86  ILE n 
1 87  ARG n 
1 88  HIS n 
1 89  PHE n 
1 90  LEU n 
1 91  PRO n 
1 92  ARG n 
1 93  TYR n 
1 94  GLU n 
1 95  ASP n 
1 96  ASP n 
1 97  TYR n 
1 98  ASN n 
1 99  ASP n 
1 100 ALA n 
1 101 VAL n 
1 102 LEU n 
1 103 SER n 
1 104 VAL n 
1 105 HIS n 
1 106 THR n 
1 107 SER n 
1 108 LYS n 
1 109 PHE n 
1 110 PRO n 
1 111 ASN n 
1 112 MET n 
1 113 TYR n 
1 114 ILE n 
1 115 PRO n 
1 116 VAL n 
1 117 GLY n 
1 118 GLN n 
1 119 VAL n 
1 120 THR n 
1 121 ASN n 
1 122 TYR n 
1 123 GLY n 
1 124 PHE n 
1 125 LEU n 
1 126 ASN n 
1 127 LEU n 
1 128 GLY n 
1 129 GLY n 
1 130 THR n 
1 131 PRO n 
1 132 THR n 
1 133 HIS n 
1 134 ARG n 
1 135 ILE n 
1 136 LEU n 
1 137 MET n 
1 138 TYR n 
1 139 ASN n 
1 140 PHE n 
1 141 PRO n 
1 142 THR n 
1 143 ARG n 
1 144 ALA n 
1 145 GLY n 
1 146 GLN n 
1 147 CYS n 
1 148 GLY n 
1 149 GLY n 
1 150 VAL n 
1 151 VAL n 
1 152 THR n 
1 153 THR n 
1 154 THR n 
1 155 GLY n 
1 156 LYS n 
1 157 VAL n 
1 158 ILE n 
1 159 GLY n 
1 160 ILE n 
1 161 HIS n 
1 162 VAL n 
1 163 GLY n 
1 164 GLY n 
1 165 ASN n 
1 166 GLY n 
1 167 ALA n 
1 168 GLN n 
1 169 GLY n 
1 170 PHE n 
1 171 ALA n 
1 172 ALA n 
1 173 MET n 
1 174 LEU n 
1 175 LEU n 
1 176 HIS n 
1 177 SER n 
1 178 TYR n 
1 179 PHE n 
1 180 THR n 
1 181 ASP n 
1 182 THR n 
1 183 ALA n 
1 184 LYS n 
1 185 HIS n 
1 186 HIS n 
1 187 HIS n 
1 188 HIS n 
1 189 HIS n 
1 190 HIS 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                   190 
_entity_src_gen.gene_src_common_name               ? 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 ? 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'enterovirus D68' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     42789 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      
;Escherichia coli 'BL21-Gold(DE3)pLysS AG'
;
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     866768 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                                                                                ? 
'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                                                                                               ? 
'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                                                                                             ? 
'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                                                                        ? 
'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                                                                                               ? 
'C3 H7 N O2 S'   121.158 
GLN 'L-peptide linking' y GLUTAMINE                                                                                              ? 
'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                                                                                        ? 
'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                                                                                                ? 
'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                                                                                              ? 
'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                                                                                                  ? 
'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                                                                                             ? 
'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                                                                                                ? 
'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                                                                                                 ? 
'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                                                                                             ? 
'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                                                                                          ? 
'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                                                                                                ? 
'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                                                                                                 ? 
'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE                                                                                              ? 
'C4 H9 N O3'     119.119 
TYR 'L-peptide linking' y TYROSINE                                                                                               ? 
'C9 H11 N O3'    181.189 
UED non-polymer         . 'N~2~-[(benzyloxy)carbonyl]-N-{(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide' 
'GC373 bound form, GC376 bound form' 'C21 H31 N3 O5'  405.488 
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   1   GLY GLY A . n 
A 1 2   PRO 2   2   2   PRO PRO A . n 
A 1 3   GLY 3   3   3   GLY GLY A . n 
A 1 4   PHE 4   4   4   PHE PHE A . n 
A 1 5   ASP 5   5   5   ASP ASP A . n 
A 1 6   PHE 6   6   6   PHE PHE A . n 
A 1 7   ALA 7   7   7   ALA ALA A . n 
A 1 8   GLN 8   8   8   GLN GLN A . n 
A 1 9   ALA 9   9   9   ALA ALA A . n 
A 1 10  ILE 10  10  10  ILE ILE A . n 
A 1 11  MET 11  11  11  MET MET A . n 
A 1 12  LYS 12  12  12  LYS LYS A . n 
A 1 13  LYS 13  13  13  LYS LYS A . n 
A 1 14  ASN 14  14  14  ASN ASN A . n 
A 1 15  THR 15  15  15  THR THR A . n 
A 1 16  VAL 16  16  16  VAL VAL A . n 
A 1 17  VAL 17  17  17  VAL VAL A . n 
A 1 18  ALA 18  18  18  ALA ALA A . n 
A 1 19  ARG 19  19  19  ARG ARG A . n 
A 1 20  THR 20  20  20  THR THR A . n 
A 1 21  GLU 21  21  21  GLU GLU A . n 
A 1 22  LYS 22  22  22  LYS LYS A . n 
A 1 23  GLY 23  23  23  GLY GLY A . n 
A 1 24  GLU 24  24  24  GLU GLU A . n 
A 1 25  PHE 25  25  25  PHE PHE A . n 
A 1 26  THR 26  26  26  THR THR A . n 
A 1 27  MET 27  27  27  MET MET A . n 
A 1 28  LEU 28  28  28  LEU LEU A . n 
A 1 29  GLY 29  29  29  GLY GLY A . n 
A 1 30  VAL 30  30  30  VAL VAL A . n 
A 1 31  HIS 31  31  31  HIS HIS A . n 
A 1 32  ASP 32  32  32  ASP ASP A . n 
A 1 33  ARG 33  33  33  ARG ARG A . n 
A 1 34  VAL 34  34  34  VAL VAL A . n 
A 1 35  ALA 35  35  35  ALA ALA A . n 
A 1 36  VAL 36  36  36  VAL VAL A . n 
A 1 37  ILE 37  37  37  ILE ILE A . n 
A 1 38  PRO 38  38  38  PRO PRO A . n 
A 1 39  THR 39  39  39  THR THR A . n 
A 1 40  HIS 40  40  40  HIS HIS A . n 
A 1 41  ALA 41  41  41  ALA ALA A . n 
A 1 42  SER 42  42  42  SER SER A . n 
A 1 43  VAL 43  43  43  VAL VAL A . n 
A 1 44  GLY 44  44  44  GLY GLY A . n 
A 1 45  GLU 45  45  45  GLU GLU A . n 
A 1 46  THR 46  46  46  THR THR A . n 
A 1 47  ILE 47  47  47  ILE ILE A . n 
A 1 48  TYR 48  48  48  TYR TYR A . n 
A 1 49  ILE 49  49  49  ILE ILE A . n 
A 1 50  ASN 50  50  50  ASN ASN A . n 
A 1 51  ASP 51  51  51  ASP ASP A . n 
A 1 52  VAL 52  52  52  VAL VAL A . n 
A 1 53  GLU 53  53  53  GLU GLU A . n 
A 1 54  THR 54  54  54  THR THR A . n 
A 1 55  LYS 55  55  55  LYS LYS A . n 
A 1 56  VAL 56  56  56  VAL VAL A . n 
A 1 57  LEU 57  57  57  LEU LEU A . n 
A 1 58  ASP 58  58  58  ASP ASP A . n 
A 1 59  ALA 59  59  59  ALA ALA A . n 
A 1 60  CYS 60  60  60  CYS CYS A . n 
A 1 61  ALA 61  61  61  ALA ALA A . n 
A 1 62  LEU 62  62  62  LEU LEU A . n 
A 1 63  ARG 63  63  63  ARG ARG A . n 
A 1 64  ASP 64  64  64  ASP ASP A . n 
A 1 65  LEU 65  65  65  LEU LEU A . n 
A 1 66  THR 66  66  66  THR THR A . n 
A 1 67  ASP 67  67  67  ASP ASP A . n 
A 1 68  THR 68  68  68  THR THR A . n 
A 1 69  ASN 69  69  69  ASN ASN A . n 
A 1 70  LEU 70  70  70  LEU LEU A . n 
A 1 71  GLU 71  71  71  GLU GLU A . n 
A 1 72  ILE 72  72  72  ILE ILE A . n 
A 1 73  THR 73  73  73  THR THR A . n 
A 1 74  ILE 74  74  74  ILE ILE A . n 
A 1 75  VAL 75  75  75  VAL VAL A . n 
A 1 76  LYS 76  76  76  LYS LYS A . n 
A 1 77  LEU 77  77  77  LEU LEU A . n 
A 1 78  ASP 78  78  78  ASP ASP A . n 
A 1 79  ARG 79  79  79  ARG ARG A . n 
A 1 80  ASN 80  80  80  ASN ASN A . n 
A 1 81  GLN 81  81  81  GLN GLN A . n 
A 1 82  LYS 82  82  82  LYS LYS A . n 
A 1 83  PHE 83  83  83  PHE PHE A . n 
A 1 84  ARG 84  84  84  ARG ARG A . n 
A 1 85  ASP 85  85  85  ASP ASP A . n 
A 1 86  ILE 86  86  86  ILE ILE A . n 
A 1 87  ARG 87  87  87  ARG ARG A . n 
A 1 88  HIS 88  88  88  HIS HIS A . n 
A 1 89  PHE 89  89  89  PHE PHE A . n 
A 1 90  LEU 90  90  90  LEU LEU A . n 
A 1 91  PRO 91  91  91  PRO PRO A . n 
A 1 92  ARG 92  92  92  ARG ARG A . n 
A 1 93  TYR 93  93  93  TYR TYR A . n 
A 1 94  GLU 94  94  94  GLU GLU A . n 
A 1 95  ASP 95  95  95  ASP ASP A . n 
A 1 96  ASP 96  96  96  ASP ASP A . n 
A 1 97  TYR 97  97  97  TYR TYR A . n 
A 1 98  ASN 98  98  98  ASN ASN A . n 
A 1 99  ASP 99  99  99  ASP ASP A . n 
A 1 100 ALA 100 100 100 ALA ALA A . n 
A 1 101 VAL 101 101 101 VAL VAL A . n 
A 1 102 LEU 102 102 102 LEU LEU A . n 
A 1 103 SER 103 103 103 SER SER A . n 
A 1 104 VAL 104 104 104 VAL VAL A . n 
A 1 105 HIS 105 105 105 HIS HIS A . n 
A 1 106 THR 106 106 106 THR THR A . n 
A 1 107 SER 107 107 107 SER SER A . n 
A 1 108 LYS 108 108 108 LYS LYS A . n 
A 1 109 PHE 109 109 109 PHE PHE A . n 
A 1 110 PRO 110 110 110 PRO PRO A . n 
A 1 111 ASN 111 111 111 ASN ASN A . n 
A 1 112 MET 112 112 112 MET MET A . n 
A 1 113 TYR 113 113 113 TYR TYR A . n 
A 1 114 ILE 114 114 114 ILE ILE A . n 
A 1 115 PRO 115 115 115 PRO PRO A . n 
A 1 116 VAL 116 116 116 VAL VAL A . n 
A 1 117 GLY 117 117 117 GLY GLY A . n 
A 1 118 GLN 118 118 118 GLN GLN A . n 
A 1 119 VAL 119 119 119 VAL VAL A . n 
A 1 120 THR 120 120 120 THR THR A . n 
A 1 121 ASN 121 121 121 ASN ASN A . n 
A 1 122 TYR 122 122 122 TYR TYR A . n 
A 1 123 GLY 123 123 123 GLY GLY A . n 
A 1 124 PHE 124 124 124 PHE PHE A . n 
A 1 125 LEU 125 125 125 LEU LEU A . n 
A 1 126 ASN 126 126 126 ASN ASN A . n 
A 1 127 LEU 127 127 127 LEU LEU A . n 
A 1 128 GLY 128 128 128 GLY GLY A . n 
A 1 129 GLY 129 129 129 GLY GLY A . n 
A 1 130 THR 130 130 130 THR THR A . n 
A 1 131 PRO 131 131 131 PRO PRO A . n 
A 1 132 THR 132 132 132 THR THR A . n 
A 1 133 HIS 133 133 133 HIS HIS A . n 
A 1 134 ARG 134 134 134 ARG ARG A . n 
A 1 135 ILE 135 135 135 ILE ILE A . n 
A 1 136 LEU 136 136 136 LEU LEU A . n 
A 1 137 MET 137 137 137 MET MET A . n 
A 1 138 TYR 138 138 138 TYR TYR A . n 
A 1 139 ASN 139 139 139 ASN ASN A . n 
A 1 140 PHE 140 140 140 PHE PHE A . n 
A 1 141 PRO 141 141 141 PRO PRO A . n 
A 1 142 THR 142 142 142 THR THR A . n 
A 1 143 ARG 143 143 143 ARG ARG A . n 
A 1 144 ALA 144 144 144 ALA ALA A . n 
A 1 145 GLY 145 145 145 GLY GLY A . n 
A 1 146 GLN 146 146 146 GLN GLN A . n 
A 1 147 CYS 147 147 147 CYS CYS A . n 
A 1 148 GLY 148 148 148 GLY GLY A . n 
A 1 149 GLY 149 149 149 GLY GLY A . n 
A 1 150 VAL 150 150 150 VAL VAL A . n 
A 1 151 VAL 151 151 151 VAL VAL A . n 
A 1 152 THR 152 152 152 THR THR A . n 
A 1 153 THR 153 153 153 THR THR A . n 
A 1 154 THR 154 154 154 THR THR A . n 
A 1 155 GLY 155 155 155 GLY GLY A . n 
A 1 156 LYS 156 156 156 LYS LYS A . n 
A 1 157 VAL 157 157 157 VAL VAL A . n 
A 1 158 ILE 158 158 158 ILE ILE A . n 
A 1 159 GLY 159 159 159 GLY GLY A . n 
A 1 160 ILE 160 160 160 ILE ILE A . n 
A 1 161 HIS 161 161 161 HIS HIS A . n 
A 1 162 VAL 162 162 162 VAL VAL A . n 
A 1 163 GLY 163 163 163 GLY GLY A . n 
A 1 164 GLY 164 164 164 GLY GLY A . n 
A 1 165 ASN 165 165 165 ASN ASN A . n 
A 1 166 GLY 166 166 166 GLY GLY A . n 
A 1 167 ALA 167 167 167 ALA ALA A . n 
A 1 168 GLN 168 168 168 GLN GLN A . n 
A 1 169 GLY 169 169 169 GLY GLY A . n 
A 1 170 PHE 170 170 170 PHE PHE A . n 
A 1 171 ALA 171 171 171 ALA ALA A . n 
A 1 172 ALA 172 172 172 ALA ALA A . n 
A 1 173 MET 173 173 173 MET MET A . n 
A 1 174 LEU 174 174 174 LEU LEU A . n 
A 1 175 LEU 175 175 175 LEU LEU A . n 
A 1 176 HIS 176 176 176 HIS HIS A . n 
A 1 177 SER 177 177 177 SER SER A . n 
A 1 178 TYR 178 178 178 TYR TYR A . n 
A 1 179 PHE 179 179 179 PHE PHE A . n 
A 1 180 THR 180 180 180 THR THR A . n 
A 1 181 ASP 181 181 181 ASP ASP A . n 
A 1 182 THR 182 182 182 THR THR A . n 
A 1 183 ALA 183 183 183 ALA ALA A . n 
A 1 184 LYS 184 184 184 LYS LYS A . n 
A 1 185 HIS 185 185 185 HIS HIS A . n 
A 1 186 HIS 186 186 186 HIS HIS A . n 
A 1 187 HIS 187 187 187 HIS HIS A . n 
A 1 188 HIS 188 188 188 HIS HIS A . n 
A 1 189 HIS 189 189 ?   ?   ?   A . n 
A 1 190 HIS 190 190 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        UED 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   UED 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 UED 1   201 201 UED LIG A . 
C 3 HOH 1   301 41  HOH HOH A . 
C 3 HOH 2   302 104 HOH HOH A . 
C 3 HOH 3   303 6   HOH HOH A . 
C 3 HOH 4   304 2   HOH HOH A . 
C 3 HOH 5   305 164 HOH HOH A . 
C 3 HOH 6   306 12  HOH HOH A . 
C 3 HOH 7   307 9   HOH HOH A . 
C 3 HOH 8   308 51  HOH HOH A . 
C 3 HOH 9   309 29  HOH HOH A . 
C 3 HOH 10  310 47  HOH HOH A . 
C 3 HOH 11  311 58  HOH HOH A . 
C 3 HOH 12  312 152 HOH HOH A . 
C 3 HOH 13  313 30  HOH HOH A . 
C 3 HOH 14  314 13  HOH HOH A . 
C 3 HOH 15  315 147 HOH HOH A . 
C 3 HOH 16  316 10  HOH HOH A . 
C 3 HOH 17  317 42  HOH HOH A . 
C 3 HOH 18  318 37  HOH HOH A . 
C 3 HOH 19  319 23  HOH HOH A . 
C 3 HOH 20  320 59  HOH HOH A . 
C 3 HOH 21  321 153 HOH HOH A . 
C 3 HOH 22  322 8   HOH HOH A . 
C 3 HOH 23  323 25  HOH HOH A . 
C 3 HOH 24  324 3   HOH HOH A . 
C 3 HOH 25  325 31  HOH HOH A . 
C 3 HOH 26  326 28  HOH HOH A . 
C 3 HOH 27  327 11  HOH HOH A . 
C 3 HOH 28  328 15  HOH HOH A . 
C 3 HOH 29  329 7   HOH HOH A . 
C 3 HOH 30  330 1   HOH HOH A . 
C 3 HOH 31  331 85  HOH HOH A . 
C 3 HOH 32  332 62  HOH HOH A . 
C 3 HOH 33  333 5   HOH HOH A . 
C 3 HOH 34  334 18  HOH HOH A . 
C 3 HOH 35  335 21  HOH HOH A . 
C 3 HOH 36  336 64  HOH HOH A . 
C 3 HOH 37  337 101 HOH HOH A . 
C 3 HOH 38  338 50  HOH HOH A . 
C 3 HOH 39  339 26  HOH HOH A . 
C 3 HOH 40  340 99  HOH HOH A . 
C 3 HOH 41  341 133 HOH HOH A . 
C 3 HOH 42  342 106 HOH HOH A . 
C 3 HOH 43  343 82  HOH HOH A . 
C 3 HOH 44  344 55  HOH HOH A . 
C 3 HOH 45  345 19  HOH HOH A . 
C 3 HOH 46  346 73  HOH HOH A . 
C 3 HOH 47  347 44  HOH HOH A . 
C 3 HOH 48  348 74  HOH HOH A . 
C 3 HOH 49  349 40  HOH HOH A . 
C 3 HOH 50  350 35  HOH HOH A . 
C 3 HOH 51  351 117 HOH HOH A . 
C 3 HOH 52  352 43  HOH HOH A . 
C 3 HOH 53  353 92  HOH HOH A . 
C 3 HOH 54  354 111 HOH HOH A . 
C 3 HOH 55  355 108 HOH HOH A . 
C 3 HOH 56  356 156 HOH HOH A . 
C 3 HOH 57  357 61  HOH HOH A . 
C 3 HOH 58  358 39  HOH HOH A . 
C 3 HOH 59  359 161 HOH HOH A . 
C 3 HOH 60  360 157 HOH HOH A . 
C 3 HOH 61  361 24  HOH HOH A . 
C 3 HOH 62  362 52  HOH HOH A . 
C 3 HOH 63  363 141 HOH HOH A . 
C 3 HOH 64  364 48  HOH HOH A . 
C 3 HOH 65  365 45  HOH HOH A . 
C 3 HOH 66  366 49  HOH HOH A . 
C 3 HOH 67  367 22  HOH HOH A . 
C 3 HOH 68  368 57  HOH HOH A . 
C 3 HOH 69  369 60  HOH HOH A . 
C 3 HOH 70  370 170 HOH HOH A . 
C 3 HOH 71  371 38  HOH HOH A . 
C 3 HOH 72  372 17  HOH HOH A . 
C 3 HOH 73  373 46  HOH HOH A . 
C 3 HOH 74  374 53  HOH HOH A . 
C 3 HOH 75  375 14  HOH HOH A . 
C 3 HOH 76  376 168 HOH HOH A . 
C 3 HOH 77  377 66  HOH HOH A . 
C 3 HOH 78  378 140 HOH HOH A . 
C 3 HOH 79  379 34  HOH HOH A . 
C 3 HOH 80  380 160 HOH HOH A . 
C 3 HOH 81  381 4   HOH HOH A . 
C 3 HOH 82  382 20  HOH HOH A . 
C 3 HOH 83  383 84  HOH HOH A . 
C 3 HOH 84  384 115 HOH HOH A . 
C 3 HOH 85  385 33  HOH HOH A . 
C 3 HOH 86  386 65  HOH HOH A . 
C 3 HOH 87  387 109 HOH HOH A . 
C 3 HOH 88  388 54  HOH HOH A . 
C 3 HOH 89  389 138 HOH HOH A . 
C 3 HOH 90  390 36  HOH HOH A . 
C 3 HOH 91  391 69  HOH HOH A . 
C 3 HOH 92  392 119 HOH HOH A . 
C 3 HOH 93  393 116 HOH HOH A . 
C 3 HOH 94  394 124 HOH HOH A . 
C 3 HOH 95  395 130 HOH HOH A . 
C 3 HOH 96  396 93  HOH HOH A . 
C 3 HOH 97  397 144 HOH HOH A . 
C 3 HOH 98  398 121 HOH HOH A . 
C 3 HOH 99  399 148 HOH HOH A . 
C 3 HOH 100 400 72  HOH HOH A . 
C 3 HOH 101 401 100 HOH HOH A . 
C 3 HOH 102 402 122 HOH HOH A . 
C 3 HOH 103 403 86  HOH HOH A . 
C 3 HOH 104 404 95  HOH HOH A . 
C 3 HOH 105 405 113 HOH HOH A . 
C 3 HOH 106 406 88  HOH HOH A . 
C 3 HOH 107 407 27  HOH HOH A . 
C 3 HOH 108 408 142 HOH HOH A . 
C 3 HOH 109 409 94  HOH HOH A . 
C 3 HOH 110 410 67  HOH HOH A . 
C 3 HOH 111 411 83  HOH HOH A . 
C 3 HOH 112 412 149 HOH HOH A . 
C 3 HOH 113 413 155 HOH HOH A . 
C 3 HOH 114 414 78  HOH HOH A . 
C 3 HOH 115 415 81  HOH HOH A . 
C 3 HOH 116 416 87  HOH HOH A . 
C 3 HOH 117 417 150 HOH HOH A . 
C 3 HOH 118 418 165 HOH HOH A . 
C 3 HOH 119 419 127 HOH HOH A . 
C 3 HOH 120 420 126 HOH HOH A . 
C 3 HOH 121 421 146 HOH HOH A . 
C 3 HOH 122 422 63  HOH HOH A . 
C 3 HOH 123 423 139 HOH HOH A . 
C 3 HOH 124 424 159 HOH HOH A . 
C 3 HOH 125 425 114 HOH HOH A . 
C 3 HOH 126 426 105 HOH HOH A . 
C 3 HOH 127 427 162 HOH HOH A . 
C 3 HOH 128 428 137 HOH HOH A . 
C 3 HOH 129 429 89  HOH HOH A . 
C 3 HOH 130 430 163 HOH HOH A . 
C 3 HOH 131 431 71  HOH HOH A . 
C 3 HOH 132 432 98  HOH HOH A . 
C 3 HOH 133 433 171 HOH HOH A . 
C 3 HOH 134 434 166 HOH HOH A . 
C 3 HOH 135 435 167 HOH HOH A . 
C 3 HOH 136 436 134 HOH HOH A . 
C 3 HOH 137 437 76  HOH HOH A . 
C 3 HOH 138 438 123 HOH HOH A . 
C 3 HOH 139 439 145 HOH HOH A . 
C 3 HOH 140 440 151 HOH HOH A . 
C 3 HOH 141 441 125 HOH HOH A . 
C 3 HOH 142 442 97  HOH HOH A . 
# 
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 A LYS 12  ? CG  ? A LYS 12  CG  
2  1 Y 1 A LYS 12  ? CD  ? A LYS 12  CD  
3  1 Y 1 A LYS 12  ? CE  ? A LYS 12  CE  
4  1 Y 1 A LYS 12  ? NZ  ? A LYS 12  NZ  
5  1 Y 1 A LYS 108 ? CE  ? A LYS 108 CE  
6  1 Y 1 A LYS 108 ? NZ  ? A LYS 108 NZ  
7  1 Y 1 A ASP 181 ? CG  ? A ASP 181 CG  
8  1 Y 1 A ASP 181 ? OD1 ? A ASP 181 OD1 
9  1 Y 1 A ASP 181 ? OD2 ? A ASP 181 OD2 
10 1 Y 1 A LYS 184 ? CG  ? A LYS 184 CG  
11 1 Y 1 A LYS 184 ? CD  ? A LYS 184 CD  
12 1 Y 1 A LYS 184 ? CE  ? A LYS 184 CE  
13 1 Y 1 A LYS 184 ? NZ  ? A LYS 184 NZ  
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.19.1_4122+SVN 1 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.20.1_4487     2 
? 'model building' ? ? ? ? ? ? ? ? ? ? ? Coot   ? ? ? 0.9.8.6         3 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .               4 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .               5 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8W3T 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     56.174 
_cell.length_a_esd                 ? 
_cell.length_b                     56.174 
_cell.length_b_esd                 ? 
_cell.length_c                     170.629 
_cell.length_c_esd                 ? 
_cell.volume                       466287.934 
_cell.volume_esd                   ? 
_cell.Z_PDB                        6 
_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                         8W3T 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                152 
_symmetry.space_group_name_Hall            
;P 31 2"
;
_symmetry.space_group_name_H-M             'P 31 2 1' 
_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                   8W3T 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             3.67 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          66.51 
_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              4.6 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;0.07 M Sodium Acetate
PEG4000 6-15%
Glycerol 10-35%
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293.15 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 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         2024-01-24 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'NSLS-II BEAMLINE 17-ID-2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   17-ID-2 
_diffrn_source.pdbx_synchrotron_site       NSLS-II 
# 
_reflns.B_iso_Wilson_estimate                          39.51 
_reflns.entry_id                                       8W3T 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.98 
_reflns.d_resolution_low                               32.07 
_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                                     22473 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           99.46 
_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 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          14 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.029 
_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                                    1.98 
_reflns_shell.d_res_low                                     2.05 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           4 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             2168 
_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                               2 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.917 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          99.36 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.405 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               47.95 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8W3T 
_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                            1.98 
_refine.ls_d_res_low                             32.07 
_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                     22471 
_refine.ls_number_reflns_R_free                  1109 
_refine.ls_number_reflns_R_work                  21362 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.46 
_refine.ls_percent_reflns_R_free                 4.94 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2003 
_refine.ls_R_factor_R_free                       0.2342 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1985 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.35 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1100 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 32.8148 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.2537 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.98 
_refine_hist.d_res_low                        32.07 
_refine_hist.number_atoms_solvent             142 
_refine_hist.number_atoms_total               1623 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1452 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         29 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.0103 ? 1527 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.1388 ? 2077 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0658 ? 235  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0102 ? 270  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 7.7209 ? 213  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.98 2.05  . . 135 2631 99.42 . . . . 0.3338 . . . . . . . . . . . 0.4287 
'X-RAY DIFFRACTION' 2.05 2.18  . . 136 2581 99.02 . . . . 0.2790 . . . . . . . . . . . 0.3434 
'X-RAY DIFFRACTION' 2.18 2.32  . . 133 2619 98.74 . . . . 0.2659 . . . . . . . . . . . 0.3286 
'X-RAY DIFFRACTION' 2.32 2.49  . . 130 2616 99.31 . . . . 0.2244 . . . . . . . . . . . 0.2250 
'X-RAY DIFFRACTION' 2.49 2.75  . . 142 2643 99.79 . . . . 0.2497 . . . . . . . . . . . 0.2910 
'X-RAY DIFFRACTION' 2.75 3.14  . . 145 2694 99.75 . . . . 0.2114 . . . . . . . . . . . 0.2393 
'X-RAY DIFFRACTION' 3.14 3.96  . . 138 2706 99.79 . . . . 0.1879 . . . . . . . . . . . 0.2642 
'X-RAY DIFFRACTION' 3.96 32.07 . . 150 2872 99.83 . . . . 0.1576 . . . . . . . . . . . 0.1689 
# 
_struct.entry_id                     8W3T 
_struct.title                        'Crystal Structure of Enterovirus 68 3C Protease with GC376 at 1.98 Angstroms' 
_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        8W3T 
_struct_keywords.text            
'PROTEASE, HYDROLASE, ENTEROVIRUS, 3C PROTEIN, EV68, INHIBITOR, VIRAL PROTEIN, HYDROLASE-INHIBITOR complex' 
_struct_keywords.pdbx_keywords   'VIRAL PROTEIN,HYDROLASE/INHIBITOR' 
# 
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 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    A1E4A3_HED68 
_struct_ref.pdbx_db_accession          A1E4A3 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;GPGFDFAQAIMKKNTVVARTEKGEFTMLGVHDRVAVIPTHASVGETIYINDVETKVLDACALRDLTDTNLEITIVKLDRN
QKFRDIRHFLPRYEDDYNDAVLSVHTSKFPNMYIPVGQVTNYGFLNLGGTPTHRILMYNFPTRAGQCGGVVTTTGKVIGI
HVGGNGAQGFAAMLLHSYFTDT
;
_struct_ref.pdbx_align_begin           1549 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8W3T 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 182 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             A1E4A3 
_struct_ref_seq.db_align_beg                  1549 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  1730 
_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       182 
# 
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 8W3T ALA A 183 ? UNP A1E4A3 ? ? 'expression tag' 183 1 
1 8W3T LYS A 184 ? UNP A1E4A3 ? ? 'expression tag' 184 2 
1 8W3T HIS A 185 ? UNP A1E4A3 ? ? 'expression tag' 185 3 
1 8W3T HIS A 186 ? UNP A1E4A3 ? ? 'expression tag' 186 4 
1 8W3T HIS A 187 ? UNP A1E4A3 ? ? 'expression tag' 187 5 
1 8W3T HIS A 188 ? UNP A1E4A3 ? ? 'expression tag' 188 6 
1 8W3T HIS A 189 ? UNP A1E4A3 ? ? 'expression tag' 189 7 
1 8W3T HIS A 190 ? UNP A1E4A3 ? ? 'expression tag' 190 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   none 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_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]         1.0 
_pdbx_struct_oper_list.matrix[1][2]         0.0 
_pdbx_struct_oper_list.matrix[1][3]         0.0 
_pdbx_struct_oper_list.vector[1]            0.0 
_pdbx_struct_oper_list.matrix[2][1]         0.0 
_pdbx_struct_oper_list.matrix[2][2]         1.0 
_pdbx_struct_oper_list.matrix[2][3]         0.0 
_pdbx_struct_oper_list.vector[2]            0.0 
_pdbx_struct_oper_list.matrix[3][1]         0.0 
_pdbx_struct_oper_list.matrix[3][2]         0.0 
_pdbx_struct_oper_list.matrix[3][3]         1.0 
_pdbx_struct_oper_list.vector[3]            0.0 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 GLY A 3   ? ASN A 14  ? GLY A 3   ASN A 14  1 ? 12 
HELX_P HELX_P2 AA2 HIS A 40  ? SER A 42  ? HIS A 40  SER A 42  5 ? 3  
HELX_P HELX_P3 AA3 ILE A 86  ? LEU A 90  ? ILE A 86  LEU A 90  5 ? 5  
HELX_P HELX_P4 AA4 LEU A 175 ? THR A 180 ? LEU A 175 THR A 180 5 ? 6  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_conn.id                            covale1 
_struct_conn.conn_type_id                  covale 
_struct_conn.pdbx_leaving_atom_flag        one 
_struct_conn.pdbx_PDB_id                   ? 
_struct_conn.ptnr1_label_asym_id           A 
_struct_conn.ptnr1_label_comp_id           CYS 
_struct_conn.ptnr1_label_seq_id            147 
_struct_conn.ptnr1_label_atom_id           SG 
_struct_conn.pdbx_ptnr1_label_alt_id       ? 
_struct_conn.pdbx_ptnr1_PDB_ins_code       ? 
_struct_conn.pdbx_ptnr1_standard_comp_id   ? 
_struct_conn.ptnr1_symmetry                1_555 
_struct_conn.ptnr2_label_asym_id           B 
_struct_conn.ptnr2_label_comp_id           UED 
_struct_conn.ptnr2_label_seq_id            . 
_struct_conn.ptnr2_label_atom_id           C21 
_struct_conn.pdbx_ptnr2_label_alt_id       ? 
_struct_conn.pdbx_ptnr2_PDB_ins_code       ? 
_struct_conn.ptnr1_auth_asym_id            A 
_struct_conn.ptnr1_auth_comp_id            CYS 
_struct_conn.ptnr1_auth_seq_id             147 
_struct_conn.ptnr2_auth_asym_id            A 
_struct_conn.ptnr2_auth_comp_id            UED 
_struct_conn.ptnr2_auth_seq_id             201 
_struct_conn.ptnr2_symmetry                1_555 
_struct_conn.pdbx_ptnr3_label_atom_id      ? 
_struct_conn.pdbx_ptnr3_label_seq_id       ? 
_struct_conn.pdbx_ptnr3_label_comp_id      ? 
_struct_conn.pdbx_ptnr3_label_asym_id      ? 
_struct_conn.pdbx_ptnr3_label_alt_id       ? 
_struct_conn.pdbx_ptnr3_PDB_ins_code       ? 
_struct_conn.details                       ? 
_struct_conn.pdbx_dist_value               1.765 
_struct_conn.pdbx_value_order              ? 
_struct_conn.pdbx_role                     ? 
# 
_struct_conn_type.id          covale 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_pdbx_modification_feature.ordinal                            1 
_pdbx_modification_feature.label_comp_id                      UED 
_pdbx_modification_feature.label_asym_id                      B 
_pdbx_modification_feature.label_seq_id                       . 
_pdbx_modification_feature.label_alt_id                       ? 
_pdbx_modification_feature.modified_residue_label_comp_id     CYS 
_pdbx_modification_feature.modified_residue_label_asym_id     A 
_pdbx_modification_feature.modified_residue_label_seq_id      147 
_pdbx_modification_feature.modified_residue_label_alt_id      ? 
_pdbx_modification_feature.auth_comp_id                       UED 
_pdbx_modification_feature.auth_asym_id                       A 
_pdbx_modification_feature.auth_seq_id                        201 
_pdbx_modification_feature.PDB_ins_code                       ? 
_pdbx_modification_feature.symmetry                           1_555 
_pdbx_modification_feature.modified_residue_auth_comp_id      CYS 
_pdbx_modification_feature.modified_residue_auth_asym_id      A 
_pdbx_modification_feature.modified_residue_auth_seq_id       147 
_pdbx_modification_feature.modified_residue_PDB_ins_code      ? 
_pdbx_modification_feature.modified_residue_symmetry          1_555 
_pdbx_modification_feature.comp_id_linking_atom               C21 
_pdbx_modification_feature.modified_residue_id_linking_atom   SG 
_pdbx_modification_feature.modified_residue_id                CYS 
_pdbx_modification_feature.ref_pcm_id                         1 
_pdbx_modification_feature.ref_comp_id                        UED 
_pdbx_modification_feature.type                               None 
_pdbx_modification_feature.category                           'Covalent chemical modification' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 7 ? 
# 
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 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA2 6 7 ? 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 THR A 15  ? THR A 20  ? THR A 15  THR A 20  
AA1 2 GLY A 23  ? HIS A 31  ? GLY A 23  HIS A 31  
AA1 3 VAL A 34  ? PRO A 38  ? VAL A 34  PRO A 38  
AA1 4 ASN A 69  ? LEU A 77  ? ASN A 69  LEU A 77  
AA1 5 VAL A 52  ? ARG A 63  ? VAL A 52  ARG A 63  
AA1 6 THR A 46  ? ILE A 49  ? THR A 46  ILE A 49  
AA1 7 THR A 15  ? THR A 20  ? THR A 15  THR A 20  
AA2 1 TYR A 97  ? VAL A 104 ? TYR A 97  VAL A 104 
AA2 2 MET A 112 ? LEU A 127 ? MET A 112 LEU A 127 
AA2 3 THR A 130 ? TYR A 138 ? THR A 130 TYR A 138 
AA2 4 GLY A 169 ? MET A 173 ? GLY A 169 MET A 173 
AA2 5 LYS A 156 ? GLY A 164 ? LYS A 156 GLY A 164 
AA2 6 VAL A 150 ? THR A 153 ? VAL A 150 THR A 153 
AA2 7 TYR A 97  ? VAL A 104 ? TYR A 97  VAL A 104 
# 
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 ALA A 18  ? N ALA A 18  O PHE A 25  ? O PHE A 25  
AA1 2 3 N HIS A 31  ? N HIS A 31  O VAL A 34  ? O VAL A 34  
AA1 3 4 N ALA A 35  ? N ALA A 35  O VAL A 75  ? O VAL A 75  
AA1 4 5 O ILE A 72  ? O ILE A 72  N LEU A 62  ? N LEU A 62  
AA1 5 6 O THR A 54  ? O THR A 54  N ILE A 47  ? N ILE A 47  
AA1 6 7 O TYR A 48  ? O TYR A 48  N ARG A 19  ? N ARG A 19  
AA2 1 2 N LEU A 102 ? N LEU A 102 O ILE A 114 ? O ILE A 114 
AA2 2 3 N THR A 120 ? N THR A 120 O MET A 137 ? O MET A 137 
AA2 3 4 N LEU A 136 ? N LEU A 136 O ALA A 171 ? O ALA A 171 
AA2 4 5 O PHE A 170 ? O PHE A 170 N VAL A 162 ? N VAL A 162 
AA2 5 6 O GLY A 159 ? O GLY A 159 N VAL A 151 ? N VAL A 151 
AA2 6 7 O THR A 152 ? O THR A 152 N VAL A 101 ? N VAL A 101 
# 
_pdbx_entry_details.entry_id                   8W3T 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
loop_
_pdbx_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 ASP A 32  ? ? 46.97   -116.76 
2 1 THR A 182 ? ? -126.40 -105.73 
# 
_pdbx_validate_peptide_omega.id               1 
_pdbx_validate_peptide_omega.PDB_model_num    1 
_pdbx_validate_peptide_omega.auth_comp_id_1   THR 
_pdbx_validate_peptide_omega.auth_asym_id_1   A 
_pdbx_validate_peptide_omega.auth_seq_id_1    152 
_pdbx_validate_peptide_omega.PDB_ins_code_1   ? 
_pdbx_validate_peptide_omega.label_alt_id_1   ? 
_pdbx_validate_peptide_omega.auth_comp_id_2   THR 
_pdbx_validate_peptide_omega.auth_asym_id_2   A 
_pdbx_validate_peptide_omega.auth_seq_id_2    153 
_pdbx_validate_peptide_omega.PDB_ins_code_2   ? 
_pdbx_validate_peptide_omega.label_alt_id_2   ? 
_pdbx_validate_peptide_omega.omega            149.18 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z          
2 -y,x-y,z+1/3   
3 -x+y,-x,z+2/3  
4 x-y,-y,-z+2/3  
5 -x,-x+y,-z+1/3 
6 y,x,-z         
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       442 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.50 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 A HIS 189 ? A HIS 189 
2 1 Y 1 A HIS 190 ? A HIS 190 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
GLN N    N N N 88  
GLN CA   C N S 89  
GLN C    C N N 90  
GLN O    O N N 91  
GLN CB   C N N 92  
GLN CG   C N N 93  
GLN CD   C N N 94  
GLN OE1  O N N 95  
GLN NE2  N N N 96  
GLN OXT  O N N 97  
GLN H    H N N 98  
GLN H2   H N N 99  
GLN HA   H N N 100 
GLN HB2  H N N 101 
GLN HB3  H N N 102 
GLN HG2  H N N 103 
GLN HG3  H N N 104 
GLN HE21 H N N 105 
GLN HE22 H N N 106 
GLN HXT  H N N 107 
GLU N    N N N 108 
GLU CA   C N S 109 
GLU C    C N N 110 
GLU O    O N N 111 
GLU CB   C N N 112 
GLU CG   C N N 113 
GLU CD   C N N 114 
GLU OE1  O N N 115 
GLU OE2  O N N 116 
GLU OXT  O N N 117 
GLU H    H N N 118 
GLU H2   H N N 119 
GLU HA   H N N 120 
GLU HB2  H N N 121 
GLU HB3  H N N 122 
GLU HG2  H N N 123 
GLU HG3  H N N 124 
GLU HE2  H N N 125 
GLU HXT  H N N 126 
GLY N    N N N 127 
GLY CA   C N N 128 
GLY C    C N N 129 
GLY O    O N N 130 
GLY OXT  O N N 131 
GLY H    H N N 132 
GLY H2   H N N 133 
GLY HA2  H N N 134 
GLY HA3  H N N 135 
GLY HXT  H N N 136 
HIS N    N N N 137 
HIS CA   C N S 138 
HIS C    C N N 139 
HIS O    O N N 140 
HIS CB   C N N 141 
HIS CG   C Y N 142 
HIS ND1  N Y N 143 
HIS CD2  C Y N 144 
HIS CE1  C Y N 145 
HIS NE2  N Y N 146 
HIS OXT  O N N 147 
HIS H    H N N 148 
HIS H2   H N N 149 
HIS HA   H N N 150 
HIS HB2  H N N 151 
HIS HB3  H N N 152 
HIS HD1  H N N 153 
HIS HD2  H N N 154 
HIS HE1  H N N 155 
HIS HE2  H N N 156 
HIS HXT  H N N 157 
HOH O    O N N 158 
HOH H1   H N N 159 
HOH H2   H N N 160 
ILE N    N N N 161 
ILE CA   C N S 162 
ILE C    C N N 163 
ILE O    O N N 164 
ILE CB   C N S 165 
ILE CG1  C N N 166 
ILE CG2  C N N 167 
ILE CD1  C N N 168 
ILE OXT  O N N 169 
ILE H    H N N 170 
ILE H2   H N N 171 
ILE HA   H N N 172 
ILE HB   H N N 173 
ILE HG12 H N N 174 
ILE HG13 H N N 175 
ILE HG21 H N N 176 
ILE HG22 H N N 177 
ILE HG23 H N N 178 
ILE HD11 H N N 179 
ILE HD12 H N N 180 
ILE HD13 H N N 181 
ILE HXT  H N N 182 
LEU N    N N N 183 
LEU CA   C N S 184 
LEU C    C N N 185 
LEU O    O N N 186 
LEU CB   C N N 187 
LEU CG   C N N 188 
LEU CD1  C N N 189 
LEU CD2  C N N 190 
LEU OXT  O N N 191 
LEU H    H N N 192 
LEU H2   H N N 193 
LEU HA   H N N 194 
LEU HB2  H N N 195 
LEU HB3  H N N 196 
LEU HG   H N N 197 
LEU HD11 H N N 198 
LEU HD12 H N N 199 
LEU HD13 H N N 200 
LEU HD21 H N N 201 
LEU HD22 H N N 202 
LEU HD23 H N N 203 
LEU HXT  H N N 204 
LYS N    N N N 205 
LYS CA   C N S 206 
LYS C    C N N 207 
LYS O    O N N 208 
LYS CB   C N N 209 
LYS CG   C N N 210 
LYS CD   C N N 211 
LYS CE   C N N 212 
LYS NZ   N N N 213 
LYS OXT  O N N 214 
LYS H    H N N 215 
LYS H2   H N N 216 
LYS HA   H N N 217 
LYS HB2  H N N 218 
LYS HB3  H N N 219 
LYS HG2  H N N 220 
LYS HG3  H N N 221 
LYS HD2  H N N 222 
LYS HD3  H N N 223 
LYS HE2  H N N 224 
LYS HE3  H N N 225 
LYS HZ1  H N N 226 
LYS HZ2  H N N 227 
LYS HZ3  H N N 228 
LYS HXT  H N N 229 
MET N    N N N 230 
MET CA   C N S 231 
MET C    C N N 232 
MET O    O N N 233 
MET CB   C N N 234 
MET CG   C N N 235 
MET SD   S N N 236 
MET CE   C N N 237 
MET OXT  O N N 238 
MET H    H N N 239 
MET H2   H N N 240 
MET HA   H N N 241 
MET HB2  H N N 242 
MET HB3  H N N 243 
MET HG2  H N N 244 
MET HG3  H N N 245 
MET HE1  H N N 246 
MET HE2  H N N 247 
MET HE3  H N N 248 
MET HXT  H N N 249 
PHE N    N N N 250 
PHE CA   C N S 251 
PHE C    C N N 252 
PHE O    O N N 253 
PHE CB   C N N 254 
PHE CG   C Y N 255 
PHE CD1  C Y N 256 
PHE CD2  C Y N 257 
PHE CE1  C Y N 258 
PHE CE2  C Y N 259 
PHE CZ   C Y N 260 
PHE OXT  O N N 261 
PHE H    H N N 262 
PHE H2   H N N 263 
PHE HA   H N N 264 
PHE HB2  H N N 265 
PHE HB3  H N N 266 
PHE HD1  H N N 267 
PHE HD2  H N N 268 
PHE HE1  H N N 269 
PHE HE2  H N N 270 
PHE HZ   H N N 271 
PHE HXT  H N N 272 
PRO N    N N N 273 
PRO CA   C N S 274 
PRO C    C N N 275 
PRO O    O N N 276 
PRO CB   C N N 277 
PRO CG   C N N 278 
PRO CD   C N N 279 
PRO OXT  O N N 280 
PRO H    H N N 281 
PRO HA   H N N 282 
PRO HB2  H N N 283 
PRO HB3  H N N 284 
PRO HG2  H N N 285 
PRO HG3  H N N 286 
PRO HD2  H N N 287 
PRO HD3  H N N 288 
PRO HXT  H N N 289 
SER N    N N N 290 
SER CA   C N S 291 
SER C    C N N 292 
SER O    O N N 293 
SER CB   C N N 294 
SER OG   O N N 295 
SER OXT  O N N 296 
SER H    H N N 297 
SER H2   H N N 298 
SER HA   H N N 299 
SER HB2  H N N 300 
SER HB3  H N N 301 
SER HG   H N N 302 
SER HXT  H N N 303 
THR N    N N N 304 
THR CA   C N S 305 
THR C    C N N 306 
THR O    O N N 307 
THR CB   C N R 308 
THR OG1  O N N 309 
THR CG2  C N N 310 
THR OXT  O N N 311 
THR H    H N N 312 
THR H2   H N N 313 
THR HA   H N N 314 
THR HB   H N N 315 
THR HG1  H N N 316 
THR HG21 H N N 317 
THR HG22 H N N 318 
THR HG23 H N N 319 
THR HXT  H N N 320 
TYR N    N N N 321 
TYR CA   C N S 322 
TYR C    C N N 323 
TYR O    O N N 324 
TYR CB   C N N 325 
TYR CG   C Y N 326 
TYR CD1  C Y N 327 
TYR CD2  C Y N 328 
TYR CE1  C Y N 329 
TYR CE2  C Y N 330 
TYR CZ   C Y N 331 
TYR OH   O N N 332 
TYR OXT  O N N 333 
TYR H    H N N 334 
TYR H2   H N N 335 
TYR HA   H N N 336 
TYR HB2  H N N 337 
TYR HB3  H N N 338 
TYR HD1  H N N 339 
TYR HD2  H N N 340 
TYR HE1  H N N 341 
TYR HE2  H N N 342 
TYR HH   H N N 343 
TYR HXT  H N N 344 
UED C7   C N N 345 
UED O8   O N N 346 
UED C9   C N N 347 
UED O10  O N N 348 
UED C1   C Y N 349 
UED C2   C Y N 350 
UED C3   C Y N 351 
UED C4   C Y N 352 
UED C5   C Y N 353 
UED C6   C Y N 354 
UED N11  N N N 355 
UED C12  C N S 356 
UED C17  C N N 357 
UED O18  O N N 358 
UED C13  C N N 359 
UED C14  C N N 360 
UED C15  C N N 361 
UED C16  C N N 362 
UED N19  N N N 363 
UED C20  C N S 364 
UED C21  C N N 365 
UED O22  O N N 366 
UED C24  C N N 367 
UED C25  C N S 368 
UED C26  C N N 369 
UED C27  C N N 370 
UED N28  N N N 371 
UED C29  C N N 372 
UED O30  O N N 373 
UED H1   H N N 374 
UED H2   H N N 375 
UED H3   H N N 376 
UED H4   H N N 377 
UED H5   H N N 378 
UED H6   H N N 379 
UED H7   H N N 380 
UED H8   H N N 381 
UED H9   H N N 382 
UED H10  H N N 383 
UED H11  H N N 384 
UED H12  H N N 385 
UED H13  H N N 386 
UED H14  H N N 387 
UED H15  H N N 388 
UED H16  H N N 389 
UED H17  H N N 390 
UED H18  H N N 391 
UED H19  H N N 392 
UED H20  H N N 393 
UED H21  H N N 394 
UED H22  H N N 395 
UED H23  H N N 396 
UED H24  H N N 397 
UED H25  H N N 398 
UED H26  H N N 399 
UED H27  H N N 400 
UED H28  H N N 401 
UED H29  H N N 402 
UED H30  H N N 403 
UED H31  H N N 404 
VAL N    N N N 405 
VAL CA   C N S 406 
VAL C    C N N 407 
VAL O    O N N 408 
VAL CB   C N N 409 
VAL CG1  C N N 410 
VAL CG2  C N N 411 
VAL OXT  O N N 412 
VAL H    H N N 413 
VAL H2   H N N 414 
VAL HA   H N N 415 
VAL HB   H N N 416 
VAL HG11 H N N 417 
VAL HG12 H N N 418 
VAL HG13 H N N 419 
VAL HG21 H N N 420 
VAL HG22 H N N 421 
VAL HG23 H N N 422 
VAL HXT  H N N 423 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
GLN N   CA   sing N N 83  
GLN N   H    sing N N 84  
GLN N   H2   sing N N 85  
GLN CA  C    sing N N 86  
GLN CA  CB   sing N N 87  
GLN CA  HA   sing N N 88  
GLN C   O    doub N N 89  
GLN C   OXT  sing N N 90  
GLN CB  CG   sing N N 91  
GLN CB  HB2  sing N N 92  
GLN CB  HB3  sing N N 93  
GLN CG  CD   sing N N 94  
GLN CG  HG2  sing N N 95  
GLN CG  HG3  sing N N 96  
GLN CD  OE1  doub N N 97  
GLN CD  NE2  sing N N 98  
GLN NE2 HE21 sing N N 99  
GLN NE2 HE22 sing N N 100 
GLN OXT HXT  sing N N 101 
GLU N   CA   sing N N 102 
GLU N   H    sing N N 103 
GLU N   H2   sing N N 104 
GLU CA  C    sing N N 105 
GLU CA  CB   sing N N 106 
GLU CA  HA   sing N N 107 
GLU C   O    doub N N 108 
GLU C   OXT  sing N N 109 
GLU CB  CG   sing N N 110 
GLU CB  HB2  sing N N 111 
GLU CB  HB3  sing N N 112 
GLU CG  CD   sing N N 113 
GLU CG  HG2  sing N N 114 
GLU CG  HG3  sing N N 115 
GLU CD  OE1  doub N N 116 
GLU CD  OE2  sing N N 117 
GLU OE2 HE2  sing N N 118 
GLU OXT HXT  sing N N 119 
GLY N   CA   sing N N 120 
GLY N   H    sing N N 121 
GLY N   H2   sing N N 122 
GLY CA  C    sing N N 123 
GLY CA  HA2  sing N N 124 
GLY CA  HA3  sing N N 125 
GLY C   O    doub N N 126 
GLY C   OXT  sing N N 127 
GLY OXT HXT  sing N N 128 
HIS N   CA   sing N N 129 
HIS N   H    sing N N 130 
HIS N   H2   sing N N 131 
HIS CA  C    sing N N 132 
HIS CA  CB   sing N N 133 
HIS CA  HA   sing N N 134 
HIS C   O    doub N N 135 
HIS C   OXT  sing N N 136 
HIS CB  CG   sing N N 137 
HIS CB  HB2  sing N N 138 
HIS CB  HB3  sing N N 139 
HIS CG  ND1  sing Y N 140 
HIS CG  CD2  doub Y N 141 
HIS ND1 CE1  doub Y N 142 
HIS ND1 HD1  sing N N 143 
HIS CD2 NE2  sing Y N 144 
HIS CD2 HD2  sing N N 145 
HIS CE1 NE2  sing Y N 146 
HIS CE1 HE1  sing N N 147 
HIS NE2 HE2  sing N N 148 
HIS OXT HXT  sing N N 149 
HOH O   H1   sing N N 150 
HOH O   H2   sing N N 151 
ILE N   CA   sing N N 152 
ILE N   H    sing N N 153 
ILE N   H2   sing N N 154 
ILE CA  C    sing N N 155 
ILE CA  CB   sing N N 156 
ILE CA  HA   sing N N 157 
ILE C   O    doub N N 158 
ILE C   OXT  sing N N 159 
ILE CB  CG1  sing N N 160 
ILE CB  CG2  sing N N 161 
ILE CB  HB   sing N N 162 
ILE CG1 CD1  sing N N 163 
ILE CG1 HG12 sing N N 164 
ILE CG1 HG13 sing N N 165 
ILE CG2 HG21 sing N N 166 
ILE CG2 HG22 sing N N 167 
ILE CG2 HG23 sing N N 168 
ILE CD1 HD11 sing N N 169 
ILE CD1 HD12 sing N N 170 
ILE CD1 HD13 sing N N 171 
ILE OXT HXT  sing N N 172 
LEU N   CA   sing N N 173 
LEU N   H    sing N N 174 
LEU N   H2   sing N N 175 
LEU CA  C    sing N N 176 
LEU CA  CB   sing N N 177 
LEU CA  HA   sing N N 178 
LEU C   O    doub N N 179 
LEU C   OXT  sing N N 180 
LEU CB  CG   sing N N 181 
LEU CB  HB2  sing N N 182 
LEU CB  HB3  sing N N 183 
LEU CG  CD1  sing N N 184 
LEU CG  CD2  sing N N 185 
LEU CG  HG   sing N N 186 
LEU CD1 HD11 sing N N 187 
LEU CD1 HD12 sing N N 188 
LEU CD1 HD13 sing N N 189 
LEU CD2 HD21 sing N N 190 
LEU CD2 HD22 sing N N 191 
LEU CD2 HD23 sing N N 192 
LEU OXT HXT  sing N N 193 
LYS N   CA   sing N N 194 
LYS N   H    sing N N 195 
LYS N   H2   sing N N 196 
LYS CA  C    sing N N 197 
LYS CA  CB   sing N N 198 
LYS CA  HA   sing N N 199 
LYS C   O    doub N N 200 
LYS C   OXT  sing N N 201 
LYS CB  CG   sing N N 202 
LYS CB  HB2  sing N N 203 
LYS CB  HB3  sing N N 204 
LYS CG  CD   sing N N 205 
LYS CG  HG2  sing N N 206 
LYS CG  HG3  sing N N 207 
LYS CD  CE   sing N N 208 
LYS CD  HD2  sing N N 209 
LYS CD  HD3  sing N N 210 
LYS CE  NZ   sing N N 211 
LYS CE  HE2  sing N N 212 
LYS CE  HE3  sing N N 213 
LYS NZ  HZ1  sing N N 214 
LYS NZ  HZ2  sing N N 215 
LYS NZ  HZ3  sing N N 216 
LYS OXT HXT  sing N N 217 
MET N   CA   sing N N 218 
MET N   H    sing N N 219 
MET N   H2   sing N N 220 
MET CA  C    sing N N 221 
MET CA  CB   sing N N 222 
MET CA  HA   sing N N 223 
MET C   O    doub N N 224 
MET C   OXT  sing N N 225 
MET CB  CG   sing N N 226 
MET CB  HB2  sing N N 227 
MET CB  HB3  sing N N 228 
MET CG  SD   sing N N 229 
MET CG  HG2  sing N N 230 
MET CG  HG3  sing N N 231 
MET SD  CE   sing N N 232 
MET CE  HE1  sing N N 233 
MET CE  HE2  sing N N 234 
MET CE  HE3  sing N N 235 
MET OXT HXT  sing N N 236 
PHE N   CA   sing N N 237 
PHE N   H    sing N N 238 
PHE N   H2   sing N N 239 
PHE CA  C    sing N N 240 
PHE CA  CB   sing N N 241 
PHE CA  HA   sing N N 242 
PHE C   O    doub N N 243 
PHE C   OXT  sing N N 244 
PHE CB  CG   sing N N 245 
PHE CB  HB2  sing N N 246 
PHE CB  HB3  sing N N 247 
PHE CG  CD1  doub Y N 248 
PHE CG  CD2  sing Y N 249 
PHE CD1 CE1  sing Y N 250 
PHE CD1 HD1  sing N N 251 
PHE CD2 CE2  doub Y N 252 
PHE CD2 HD2  sing N N 253 
PHE CE1 CZ   doub Y N 254 
PHE CE1 HE1  sing N N 255 
PHE CE2 CZ   sing Y N 256 
PHE CE2 HE2  sing N N 257 
PHE CZ  HZ   sing N N 258 
PHE OXT HXT  sing N N 259 
PRO N   CA   sing N N 260 
PRO N   CD   sing N N 261 
PRO N   H    sing N N 262 
PRO CA  C    sing N N 263 
PRO CA  CB   sing N N 264 
PRO CA  HA   sing N N 265 
PRO C   O    doub N N 266 
PRO C   OXT  sing N N 267 
PRO CB  CG   sing N N 268 
PRO CB  HB2  sing N N 269 
PRO CB  HB3  sing N N 270 
PRO CG  CD   sing N N 271 
PRO CG  HG2  sing N N 272 
PRO CG  HG3  sing N N 273 
PRO CD  HD2  sing N N 274 
PRO CD  HD3  sing N N 275 
PRO OXT HXT  sing N N 276 
SER N   CA   sing N N 277 
SER N   H    sing N N 278 
SER N   H2   sing N N 279 
SER CA  C    sing N N 280 
SER CA  CB   sing N N 281 
SER CA  HA   sing N N 282 
SER C   O    doub N N 283 
SER C   OXT  sing N N 284 
SER CB  OG   sing N N 285 
SER CB  HB2  sing N N 286 
SER CB  HB3  sing N N 287 
SER OG  HG   sing N N 288 
SER OXT HXT  sing N N 289 
THR N   CA   sing N N 290 
THR N   H    sing N N 291 
THR N   H2   sing N N 292 
THR CA  C    sing N N 293 
THR CA  CB   sing N N 294 
THR CA  HA   sing N N 295 
THR C   O    doub N N 296 
THR C   OXT  sing N N 297 
THR CB  OG1  sing N N 298 
THR CB  CG2  sing N N 299 
THR CB  HB   sing N N 300 
THR OG1 HG1  sing N N 301 
THR CG2 HG21 sing N N 302 
THR CG2 HG22 sing N N 303 
THR CG2 HG23 sing N N 304 
THR OXT HXT  sing N N 305 
TYR N   CA   sing N N 306 
TYR N   H    sing N N 307 
TYR N   H2   sing N N 308 
TYR CA  C    sing N N 309 
TYR CA  CB   sing N N 310 
TYR CA  HA   sing N N 311 
TYR C   O    doub N N 312 
TYR C   OXT  sing N N 313 
TYR CB  CG   sing N N 314 
TYR CB  HB2  sing N N 315 
TYR CB  HB3  sing N N 316 
TYR CG  CD1  doub Y N 317 
TYR CG  CD2  sing Y N 318 
TYR CD1 CE1  sing Y N 319 
TYR CD1 HD1  sing N N 320 
TYR CD2 CE2  doub Y N 321 
TYR CD2 HD2  sing N N 322 
TYR CE1 CZ   doub Y N 323 
TYR CE1 HE1  sing N N 324 
TYR CE2 CZ   sing Y N 325 
TYR CE2 HE2  sing N N 326 
TYR CZ  OH   sing N N 327 
TYR OH  HH   sing N N 328 
TYR OXT HXT  sing N N 329 
UED C16 C14  sing N N 330 
UED C3  C2   doub Y N 331 
UED C3  C4   sing Y N 332 
UED C2  C1   sing Y N 333 
UED C14 C13  sing N N 334 
UED C14 C15  sing N N 335 
UED C13 C12  sing N N 336 
UED C4  C5   doub Y N 337 
UED O8  C7   sing N N 338 
UED O8  C9   sing N N 339 
UED N11 C12  sing N N 340 
UED N11 C9   sing N N 341 
UED C1  C7   sing N N 342 
UED C1  C6   doub Y N 343 
UED O18 C17  doub N N 344 
UED C5  C6   sing Y N 345 
UED C12 C17  sing N N 346 
UED C9  O10  doub N N 347 
UED C17 N19  sing N N 348 
UED C26 C27  sing N N 349 
UED C26 C25  sing N N 350 
UED N19 C20  sing N N 351 
UED C20 C21  sing N N 352 
UED C20 C24  sing N N 353 
UED C27 N28  sing N N 354 
UED O22 C21  sing N N 355 
UED C25 C24  sing N N 356 
UED C25 C29  sing N N 357 
UED N28 C29  sing N N 358 
UED C29 O30  doub N N 359 
UED C7  H1   sing N N 360 
UED C7  H2   sing N N 361 
UED C2  H3   sing N N 362 
UED C3  H4   sing N N 363 
UED C4  H5   sing N N 364 
UED C5  H6   sing N N 365 
UED C6  H7   sing N N 366 
UED N11 H8   sing N N 367 
UED C12 H9   sing N N 368 
UED C13 H10  sing N N 369 
UED C13 H11  sing N N 370 
UED C14 H12  sing N N 371 
UED C15 H13  sing N N 372 
UED C15 H14  sing N N 373 
UED C15 H15  sing N N 374 
UED C16 H16  sing N N 375 
UED C16 H17  sing N N 376 
UED C16 H18  sing N N 377 
UED N19 H19  sing N N 378 
UED C20 H20  sing N N 379 
UED C24 H21  sing N N 380 
UED C24 H22  sing N N 381 
UED C25 H23  sing N N 382 
UED C26 H24  sing N N 383 
UED C26 H25  sing N N 384 
UED C27 H26  sing N N 385 
UED C27 H27  sing N N 386 
UED N28 H28  sing N N 387 
UED C21 H29  sing N N 388 
UED C21 H30  sing N N 389 
UED O22 H31  sing N N 390 
VAL N   CA   sing N N 391 
VAL N   H    sing N N 392 
VAL N   H2   sing N N 393 
VAL CA  C    sing N N 394 
VAL CA  CB   sing N N 395 
VAL CA  HA   sing N N 396 
VAL C   O    doub N N 397 
VAL C   OXT  sing N N 398 
VAL CB  CG1  sing N N 399 
VAL CB  CG2  sing N N 400 
VAL CB  HB   sing N N 401 
VAL CG1 HG11 sing N N 402 
VAL CG1 HG12 sing N N 403 
VAL CG1 HG13 sing N N 404 
VAL CG2 HG21 sing N N 405 
VAL CG2 HG22 sing N N 406 
VAL CG2 HG23 sing N N 407 
VAL OXT HXT  sing N N 408 
# 
_pdbx_audit_support.funding_organization   
'National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           1F30AI181515-01 
_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   3ZVE 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'P 31 2 1' 
_space_group.name_Hall        
;P 31 2"
;
_space_group.IT_number        152 
_space_group.crystal_system   trigonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    8W3T 
_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]   0.017802 
_atom_sites.fract_transf_matrix[1][2]   0.010278 
_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]   0.020556 
_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]   0.005861 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
H ? ? 0.51345 0.48472 ? ? 24.73122 6.32584  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . GLY A 1 1   ? 13.93657 -39.10768 26.71621  1.000 74.49000  ? 1   GLY A N   1 
ATOM   2    C CA  . GLY A 1 1   ? 13.24078 -37.82898 26.69820  1.000 78.72748  ? 1   GLY A CA  1 
ATOM   3    C C   . GLY A 1 1   ? 13.50772 -36.92345 25.49509  1.000 75.67329  ? 1   GLY A C   1 
ATOM   4    O O   . GLY A 1 1   ? 13.82780 -37.41328 24.39973  1.000 74.40324  ? 1   GLY A O   1 
ATOM   5    N N   . PRO A 1 2   ? 13.34902 -35.60904 25.68320  1.000 69.04696  ? 2   PRO A N   1 
ATOM   6    C CA  . PRO A 1 2   ? 13.68343 -34.65551 24.61612  1.000 69.04938  ? 2   PRO A CA  1 
ATOM   7    C C   . PRO A 1 2   ? 15.18980 -34.47350 24.45774  1.000 66.47283  ? 2   PRO A C   1 
ATOM   8    O O   . PRO A 1 2   ? 15.96179 -34.58471 25.41457  1.000 57.90482  ? 2   PRO A O   1 
ATOM   9    C CB  . PRO A 1 2   ? 13.01441 -33.34955 25.07955  1.000 62.75337  ? 2   PRO A CB  1 
ATOM   10   C CG  . PRO A 1 2   ? 12.00741 -33.75672 26.12846  1.000 60.62364  ? 2   PRO A CG  1 
ATOM   11   C CD  . PRO A 1 2   ? 12.63459 -34.95578 26.79626  1.000 67.66884  ? 2   PRO A CD  1 
ATOM   12   N N   . GLY A 1 3   ? 15.60567 -34.18382 23.22027  1.000 53.93306  ? 3   GLY A N   1 
ATOM   13   C CA  . GLY A 1 3   ? 17.01575 -33.96065 22.93672  1.000 49.08790  ? 3   GLY A CA  1 
ATOM   14   C C   . GLY A 1 3   ? 17.53605 -32.58983 23.34312  1.000 51.65785  ? 3   GLY A C   1 
ATOM   15   O O   . GLY A 1 3   ? 17.84233 -31.74704 22.48774  1.000 39.91127  ? 3   GLY A O   1 
ATOM   16   N N   . PHE A 1 4   ? 17.66060 -32.36609 24.65690  1.000 43.32805  ? 4   PHE A N   1 
ATOM   17   C CA  . PHE A 1 4   ? 18.08558 -31.05657 25.15059  1.000 40.17911  ? 4   PHE A CA  1 
ATOM   18   C C   . PHE A 1 4   ? 19.52454 -30.76505 24.75495  1.000 41.89351  ? 4   PHE A C   1 
ATOM   19   O O   . PHE A 1 4   ? 19.87192 -29.62203 24.43591  1.000 41.84684  ? 4   PHE A O   1 
ATOM   20   C CB  . PHE A 1 4   ? 17.91176 -30.97360 26.67548  1.000 49.19476  ? 4   PHE A CB  1 
ATOM   21   C CG  . PHE A 1 4   ? 16.49849 -30.69565 27.09798  1.000 46.94050  ? 4   PHE A CG  1 
ATOM   22   C CD1 . PHE A 1 4   ? 15.96481 -29.41985 26.96308  1.000 46.32998  ? 4   PHE A CD1 1 
ATOM   23   C CD2 . PHE A 1 4   ? 15.68675 -31.71369 27.58552  1.000 51.31015  ? 4   PHE A CD2 1 
ATOM   24   C CE1 . PHE A 1 4   ? 14.64145 -29.15189 27.31109  1.000 47.48674  ? 4   PHE A CE1 1 
ATOM   25   C CE2 . PHE A 1 4   ? 14.36280 -31.45926 27.94439  1.000 54.57201  ? 4   PHE A CE2 1 
ATOM   26   C CZ  . PHE A 1 4   ? 13.83739 -30.17095 27.79871  1.000 51.65350  ? 4   PHE A CZ  1 
ATOM   27   N N   . ASP A 1 5   ? 20.37983 -31.78400 24.79570  1.000 38.25143  ? 5   ASP A N   1 
ATOM   28   C CA  . ASP A 1 5   ? 21.78081 -31.57436 24.46035  1.000 40.58309  ? 5   ASP A CA  1 
ATOM   29   C C   . ASP A 1 5   ? 21.92299 -31.13280 23.01301  1.000 44.88646  ? 5   ASP A C   1 
ATOM   30   O O   . ASP A 1 5   ? 22.72799 -30.25248 22.68468  1.000 43.38624  ? 5   ASP A O   1 
ATOM   31   C CB  . ASP A 1 5   ? 22.55892 -32.86131 24.72617  1.000 43.67796  ? 5   ASP A CB  1 
ATOM   32   C CG  . ASP A 1 5   ? 22.82914 -33.09657 26.22888  1.000 62.23120  ? 5   ASP A CG  1 
ATOM   33   O OD1 . ASP A 1 5   ? 22.38185 -32.27242 27.06324  1.000 66.94247  ? 5   ASP A OD1 1 
ATOM   34   O OD2 . ASP A 1 5   ? 23.47198 -34.11450 26.57559  1.000 68.56789  ? 5   ASP A OD2 1 
ATOM   35   N N   . PHE A 1 6   ? 21.13437 -31.71990 22.11582  1.000 41.93119  ? 6   PHE A N   1 
ATOM   36   C CA  . PHE A 1 6   ? 21.21978 -31.31197 20.72506  1.000 39.26981  ? 6   PHE A CA  1 
ATOM   37   C C   . PHE A 1 6   ? 20.74103 -29.87357 20.53369  1.000 38.13562  ? 6   PHE A C   1 
ATOM   38   O O   . PHE A 1 6   ? 21.39681 -29.07191 19.85839  1.000 42.17260  ? 6   PHE A O   1 
ATOM   39   C CB  . PHE A 1 6   ? 20.41670 -32.26213 19.85067  1.000 40.64206  ? 6   PHE A CB  1 
ATOM   40   C CG  . PHE A 1 6   ? 20.47222 -31.92987 18.40452  1.000 41.43516  ? 6   PHE A CG  1 
ATOM   41   C CD1 . PHE A 1 6   ? 21.64730 -32.09465 17.69196  1.000 41.18648  ? 6   PHE A CD1 1 
ATOM   42   C CD2 . PHE A 1 6   ? 19.36035 -31.43544 17.75365  1.000 38.22450  ? 6   PHE A CD2 1 
ATOM   43   C CE1 . PHE A 1 6   ? 21.71059 -31.78962 16.33537  1.000 41.84785  ? 6   PHE A CE1 1 
ATOM   44   C CE2 . PHE A 1 6   ? 19.41733 -31.12582 16.38057  1.000 40.78083  ? 6   PHE A CE2 1 
ATOM   45   C CZ  . PHE A 1 6   ? 20.59209 -31.30690 15.68793  1.000 39.70359  ? 6   PHE A CZ  1 
ATOM   46   N N   . ALA A 1 7   ? 19.59868 -29.52503 21.12743  1.000 35.73237  ? 7   ALA A N   1 
ATOM   47   C CA  . ALA A 1 7   ? 19.08499 -28.16950 20.95977  1.000 34.49842  ? 7   ALA A CA  1 
ATOM   48   C C   . ALA A 1 7   ? 20.09960 -27.14454 21.44702  1.000 38.67923  ? 7   ALA A C   1 
ATOM   49   O O   . ALA A 1 7   ? 20.26211 -26.07059 20.85298  1.000 36.94657  ? 7   ALA A O   1 
ATOM   50   C CB  . ALA A 1 7   ? 17.75872 -28.01993 21.70597  1.000 35.04314  ? 7   ALA A CB  1 
ATOM   51   N N   . GLN A 1 8   ? 20.77948 -27.46500 22.53510  1.000 42.61794  ? 8   GLN A N   1 
ATOM   52   C CA  . GLN A 1 8   ? 21.69546 -26.51334 23.12847  1.000 41.19111  ? 8   GLN A CA  1 
ATOM   53   C C   . GLN A 1 8   ? 22.91922 -26.32688 22.23508  1.000 37.89966  ? 8   GLN A C   1 
ATOM   54   O O   . GLN A 1 8   ? 23.40557 -25.20601 22.06155  1.000 36.53118  ? 8   GLN A O   1 
ATOM   55   C CB  . GLN A 1 8   ? 22.04460 -27.00015 24.53801  1.000 43.59711  ? 8   GLN A CB  1 
ATOM   56   C CG  . GLN A 1 8   ? 22.46251 -25.92852 25.48189  1.000 53.32160  ? 8   GLN A CG  1 
ATOM   57   C CD  . GLN A 1 8   ? 23.04601 -26.47160 26.79049  1.000 55.34111  ? 8   GLN A CD  1 
ATOM   58   O OE1 . GLN A 1 8   ? 23.00709 -27.68191 27.08215  1.000 51.46995  ? 8   GLN A OE1 1 
ATOM   59   N NE2 . GLN A 1 8   ? 23.60902 -25.56740 27.57939  1.000 56.14429  ? 8   GLN A NE2 1 
ATOM   60   N N   . ALA A 1 9   ? 23.42256 -27.41251 21.64672  1.000 40.24559  ? 9   ALA A N   1 
ATOM   61   C CA  . ALA A 1 9   ? 24.52301 -27.27764 20.69732  1.000 48.63129  ? 9   ALA A CA  1 
ATOM   62   C C   . ALA A 1 9   ? 24.12894 -26.41174 19.50095  1.000 46.77566  ? 9   ALA A C   1 
ATOM   63   O O   . ALA A 1 9   ? 24.94751 -25.64063 18.98704  1.000 47.43334  ? 9   ALA A O   1 
ATOM   64   C CB  . ALA A 1 9   ? 24.99084 -28.65576 20.23009  1.000 48.22929  ? 9   ALA A CB  1 
ATOM   65   N N   . ILE A 1 10  ? 22.87990 -26.52499 19.03728  1.000 45.09540  ? 10  ILE A N   1 
ATOM   66   C CA  . ILE A 1 10  ? 22.43898 -25.70050 17.91583  1.000 38.57562  ? 10  ILE A CA  1 
ATOM   67   C C   . ILE A 1 10  ? 22.32260 -24.24369 18.34376  1.000 46.81346  ? 10  ILE A C   1 
ATOM   68   O O   . ILE A 1 10  ? 22.73506 -23.33921 17.60676  1.000 38.47245  ? 10  ILE A O   1 
ATOM   69   C CB  . ILE A 1 10  ? 21.11121 -26.22370 17.33633  1.000 42.92788  ? 10  ILE A CB  1 
ATOM   70   C CG1 . ILE A 1 10  ? 21.31296 -27.61032 16.70794  1.000 38.49669  ? 10  ILE A CG1 1 
ATOM   71   C CG2 . ILE A 1 10  ? 20.50766 -25.20367 16.32142  1.000 39.40205  ? 10  ILE A CG2 1 
ATOM   72   C CD1 . ILE A 1 10  ? 21.98009 -27.55277 15.28719  1.000 37.86356  ? 10  ILE A CD1 1 
ATOM   73   N N   . MET A 1 11  ? 21.79088 -23.98816 19.54701  1.000 41.25830  ? 11  MET A N   1 
ATOM   74   C CA  . MET A 1 11  ? 21.66689 -22.60135 19.99838  1.000 40.10145  ? 11  MET A CA  1 
ATOM   75   C C   . MET A 1 11  ? 23.04155 -21.97527 20.20094  1.000 39.68801  ? 11  MET A C   1 
ATOM   76   O O   . MET A 1 11  ? 23.26283 -20.81443 19.83619  1.000 44.82466  ? 11  MET A O   1 
ATOM   77   C CB  . MET A 1 11  ? 20.83933 -22.51357 21.28841  1.000 41.95847  ? 11  MET A CB  1 
ATOM   78   C CG  . MET A 1 11  ? 19.39864 -23.02885 21.17056  1.000 47.27682  ? 11  MET A CG  1 
ATOM   79   S SD  . MET A 1 11  ? 18.46202 -22.28864 19.79207  1.000 57.32151  ? 11  MET A SD  1 
ATOM   80   C CE  . MET A 1 11  ? 18.14108 -20.74321 20.66367  1.000 47.35129  ? 11  MET A CE  1 
ATOM   81   N N   . LYS A 1 12  ? 23.98395 -22.74273 20.76159  1.000 44.17342  ? 12  LYS A N   1 
ATOM   82   C CA  . LYS A 1 12  ? 25.29822 -22.20592 21.10146  1.000 45.24517  ? 12  LYS A CA  1 
ATOM   83   C C   . LYS A 1 12  ? 26.02500 -21.69876 19.86833  1.000 48.27599  ? 12  LYS A C   1 
ATOM   84   O O   . LYS A 1 12  ? 26.53065 -20.57248 19.85516  1.000 46.21754  ? 12  LYS A O   1 
ATOM   85   C CB  . LYS A 1 12  ? 26.14563 -23.27419 21.78880  1.000 48.84808  ? 12  LYS A CB  1 
ATOM   86   N N   . LYS A 1 13  ? 26.09562 -22.53059 18.82196  1.000 43.81598  ? 13  LYS A N   1 
ATOM   87   C CA  . LYS A 1 13  ? 26.91342 -22.28853 17.63711  1.000 50.00169  ? 13  LYS A CA  1 
ATOM   88   C C   . LYS A 1 13  ? 26.15794 -21.67725 16.46175  1.000 48.98446  ? 13  LYS A C   1 
ATOM   89   O O   . LYS A 1 13  ? 26.79373 -21.11547 15.55906  1.000 52.06450  ? 13  LYS A O   1 
ATOM   90   C CB  . LYS A 1 13  ? 27.53610 -23.60282 17.14864  1.000 52.24174  ? 13  LYS A CB  1 
ATOM   91   C CG  . LYS A 1 13  ? 28.37996 -24.31586 18.16606  1.000 58.54525  ? 13  LYS A CG  1 
ATOM   92   C CD  . LYS A 1 13  ? 29.78324 -24.50982 17.65559  1.000 64.25161  ? 13  LYS A CD  1 
ATOM   93   C CE  . LYS A 1 13  ? 30.56450 -25.44319 18.57247  1.000 79.81829  ? 13  LYS A CE  1 
ATOM   94   N NZ  . LYS A 1 13  ? 31.77847 -25.96285 17.88352  1.000 83.88833  ? 13  LYS A NZ  1 
ATOM   95   N N   . ASN A 1 14  ? 24.82913 -21.79689 16.41708  1.000 40.47375  ? 14  ASN A N   1 
ATOM   96   C CA  . ASN A 1 14  ? 24.13208 -21.44140 15.19101  1.000 46.07092  ? 14  ASN A CA  1 
ATOM   97   C C   . ASN A 1 14  ? 22.94241 -20.51509 15.39872  1.000 45.37659  ? 14  ASN A C   1 
ATOM   98   O O   . ASN A 1 14  ? 22.05987 -20.48593 14.54151  1.000 40.24254  ? 14  ASN A O   1 
ATOM   99   C CB  . ASN A 1 14  ? 23.65911 -22.69773 14.45962  1.000 43.20839  ? 14  ASN A CB  1 
ATOM   100  C CG  . ASN A 1 14  ? 24.77745 -23.40665 13.76576  1.000 43.68145  ? 14  ASN A CG  1 
ATOM   101  O OD1 . ASN A 1 14  ? 25.52326 -24.12772 14.41610  1.000 41.73248  ? 14  ASN A OD1 1 
ATOM   102  N ND2 . ASN A 1 14  ? 24.91766 -23.20633 12.43602  1.000 38.75750  ? 14  ASN A ND2 1 
ATOM   103  N N   . THR A 1 15  ? 22.85056 -19.77906 16.49906  1.000 35.09714  ? 15  THR A N   1 
ATOM   104  C CA  . THR A 1 15  ? 21.78370 -18.79120 16.56110  1.000 35.01623  ? 15  THR A CA  1 
ATOM   105  C C   . THR A 1 15  ? 22.33351 -17.41836 16.90850  1.000 44.14924  ? 15  THR A C   1 
ATOM   106  O O   . THR A 1 15  ? 23.39198 -17.28642 17.53055  1.000 41.47061  ? 15  THR A O   1 
ATOM   107  C CB  . THR A 1 15  ? 20.69455 -19.17715 17.55020  1.000 43.49617  ? 15  THR A CB  1 
ATOM   108  O OG1 . THR A 1 15  ? 21.25949 -19.30630 18.86252  1.000 41.76014  ? 15  THR A OG1 1 
ATOM   109  C CG2 . THR A 1 15  ? 20.04529 -20.49093 17.11710  1.000 36.14617  ? 15  THR A CG2 1 
ATOM   110  N N   . VAL A 1 16  ? 21.60576 -16.39262 16.46848  1.000 39.03082  ? 16  VAL A N   1 
ATOM   111  C CA  . VAL A 1 16  ? 21.92418 -15.00892 16.78714  1.000 35.06723  ? 16  VAL A CA  1 
ATOM   112  C C   . VAL A 1 16  ? 20.60257 -14.28447 16.97251  1.000 41.75618  ? 16  VAL A C   1 
ATOM   113  O O   . VAL A 1 16  ? 19.54993 -14.76098 16.54287  1.000 38.97080  ? 16  VAL A O   1 
ATOM   114  C CB  . VAL A 1 16  ? 22.78641 -14.30990 15.70443  1.000 43.37617  ? 16  VAL A CB  1 
ATOM   115  C CG1 . VAL A 1 16  ? 24.09561 -15.07535 15.48349  1.000 47.01649  ? 16  VAL A CG1 1 
ATOM   116  C CG2 . VAL A 1 16  ? 21.99804 -14.13245 14.35539  1.000 40.37025  ? 16  VAL A CG2 1 
ATOM   117  N N   . VAL A 1 17  ? 20.66972 -13.14331 17.65517  1.000 41.15349  ? 17  VAL A N   1 
ATOM   118  C CA  . VAL A 1 17  ? 19.53030 -12.24532 17.81957  1.000 39.75286  ? 17  VAL A CA  1 
ATOM   119  C C   . VAL A 1 17  ? 19.48118 -11.30239 16.63146  1.000 38.70079  ? 17  VAL A C   1 
ATOM   120  O O   . VAL A 1 17  ? 20.42778 -10.54439 16.39740  1.000 36.16062  ? 17  VAL A O   1 
ATOM   121  C CB  . VAL A 1 17  ? 19.62937 -11.43912 19.11776  1.000 40.00810  ? 17  VAL A CB  1 
ATOM   122  C CG1 . VAL A 1 17  ? 18.37885 -10.56726 19.24972  1.000 39.91912  ? 17  VAL A CG1 1 
ATOM   123  C CG2 . VAL A 1 17  ? 19.81805 -12.37493 20.31372  1.000 40.42903  ? 17  VAL A CG2 1 
ATOM   124  N N   . ALA A 1 18  ? 18.36415 -11.30973 15.91234  1.000 37.62663  ? 18  ALA A N   1 
ATOM   125  C CA  . ALA A 1 18  ? 18.15449 -10.44047 14.76730  1.000 37.38433  ? 18  ALA A CA  1 
ATOM   126  C C   . ALA A 1 18  ? 17.02469 -9.48139  15.10011  1.000 39.33016  ? 18  ALA A C   1 
ATOM   127  O O   . ALA A 1 18  ? 16.05191 -9.87057  15.75212  1.000 44.59856  ? 18  ALA A O   1 
ATOM   128  C CB  . ALA A 1 18  ? 17.82141 -11.24722 13.50426  1.000 40.60321  ? 18  ALA A CB  1 
ATOM   129  N N   . ARG A 1 19  ? 17.17795 -8.22313  14.69162  1.000 41.99391  ? 19  ARG A N   1 
ATOM   130  C CA  . ARG A 1 19  ? 16.20394 -7.17354  14.97492  1.000 44.55330  ? 19  ARG A CA  1 
ATOM   131  C C   . ARG A 1 19  ? 15.98271 -6.37438  13.69690  1.000 42.32552  ? 19  ARG A C   1 
ATOM   132  O O   . ARG A 1 19  ? 16.93841 -5.85898  13.10547  1.000 43.92883  ? 19  ARG A O   1 
ATOM   133  C CB  . ARG A 1 19  ? 16.66742 -6.25753  16.12002  1.000 38.62575  ? 19  ARG A CB  1 
ATOM   134  C CG  . ARG A 1 19  ? 15.84463 -4.96922  16.22699  1.000 46.10245  ? 19  ARG A CG  1 
ATOM   135  C CD  . ARG A 1 19  ? 16.13035 -4.16046  17.48611  1.000 50.12305  ? 19  ARG A CD  1 
ATOM   136  N NE  . ARG A 1 19  ? 17.54277 -4.18702  17.84497  1.000 52.23905  ? 19  ARG A NE  1 
ATOM   137  C CZ  . ARG A 1 19  ? 18.36839 -3.16098  17.68811  1.000 55.51277  ? 19  ARG A CZ  1 
ATOM   138  N NH1 . ARG A 1 19  ? 17.95967 -2.02201  17.14859  1.000 52.09518  ? 19  ARG A NH1 1 
ATOM   139  N NH2 . ARG A 1 19  ? 19.63889 -3.28284  18.06747  1.000 55.30616  ? 19  ARG A NH2 1 
ATOM   140  N N   . THR A 1 20  ? 14.72712 -6.32087  13.26667  1.000 43.18435  ? 20  THR A N   1 
ATOM   141  C CA  . THR A 1 20  ? 14.23821 -5.56993  12.12353  1.000 47.41777  ? 20  THR A CA  1 
ATOM   142  C C   . THR A 1 20  ? 13.29806 -4.50542  12.66423  1.000 52.30120  ? 20  THR A C   1 
ATOM   143  O O   . THR A 1 20  ? 13.15093 -4.33980  13.87669  1.000 46.85400  ? 20  THR A O   1 
ATOM   144  C CB  . THR A 1 20  ? 13.51652 -6.48610  11.12956  1.000 47.86077  ? 20  THR A CB  1 
ATOM   145  O OG1 . THR A 1 20  ? 12.23228 -6.85623  11.66409  1.000 41.35087  ? 20  THR A OG1 1 
ATOM   146  C CG2 . THR A 1 20  ? 14.35379 -7.74527  10.82149  1.000 37.84282  ? 20  THR A CG2 1 
ATOM   147  N N   . GLU A 1 21  ? 12.63015 -3.80746  11.74782  1.000 50.95384  ? 21  GLU A N   1 
ATOM   148  C CA  . GLU A 1 21  ? 11.58527 -2.87365  12.13958  1.000 56.61380  ? 21  GLU A CA  1 
ATOM   149  C C   . GLU A 1 21  ? 10.44057 -3.55895  12.88447  1.000 50.36655  ? 21  GLU A C   1 
ATOM   150  O O   . GLU A 1 21  ? 9.70973  -2.88868  13.62130  1.000 54.96231  ? 21  GLU A O   1 
ATOM   151  C CB  . GLU A 1 21  ? 11.07867 -2.13435  10.89067  1.000 57.21982  ? 21  GLU A CB  1 
ATOM   152  C CG  . GLU A 1 21  ? 10.66327 -3.05588  9.70783   1.000 61.34049  ? 21  GLU A CG  1 
ATOM   153  C CD  . GLU A 1 21  ? 9.67859  -2.38893  8.70637   1.000 71.16403  ? 21  GLU A CD  1 
ATOM   154  O OE1 . GLU A 1 21  ? 9.59794  -2.83338  7.53035   1.000 77.28335  ? 21  GLU A OE1 1 
ATOM   155  O OE2 . GLU A 1 21  ? 8.96725  -1.43560  9.10849   1.000 86.01990  ? 21  GLU A OE2 1 
ATOM   156  N N   . LYS A 1 22  ? 10.28359 -4.87168  12.73622  1.000 50.16707  ? 22  LYS A N   1 
ATOM   157  C CA  . LYS A 1 22  ? 9.19784  -5.59711  13.38330  1.000 47.77514  ? 22  LYS A CA  1 
ATOM   158  C C   . LYS A 1 22  ? 9.56067  -6.08406  14.77646  1.000 49.93487  ? 22  LYS A C   1 
ATOM   159  O O   . LYS A 1 22  ? 8.71669  -6.69086  15.44837  1.000 52.66106  ? 22  LYS A O   1 
ATOM   160  C CB  . LYS A 1 22  ? 8.77487  -6.79428  12.52641  1.000 47.67596  ? 22  LYS A CB  1 
ATOM   161  C CG  . LYS A 1 22  ? 8.21844  -6.42511  11.14835  1.000 48.97626  ? 22  LYS A CG  1 
ATOM   162  C CD  . LYS A 1 22  ? 7.03044  -5.49960  11.27306  1.000 50.82025  ? 22  LYS A CD  1 
ATOM   163  C CE  . LYS A 1 22  ? 6.31102  -5.36134  9.94709   1.000 58.00643  ? 22  LYS A CE  1 
ATOM   164  N NZ  . LYS A 1 22  ? 6.00465  -3.93053  9.66479   1.000 59.35947  ? 22  LYS A NZ  1 
ATOM   165  N N   . GLY A 1 23  ? 10.78176 -5.86180  15.22338  1.000 47.02722  ? 23  GLY A N   1 
ATOM   166  C CA  . GLY A 1 23  ? 11.18428 -6.32713  16.53395  1.000 52.96037  ? 23  GLY A CA  1 
ATOM   167  C C   . GLY A 1 23  ? 12.24791 -7.39758  16.41097  1.000 51.95184  ? 23  GLY A C   1 
ATOM   168  O O   . GLY A 1 23  ? 12.90223 -7.54765  15.39141  1.000 43.35354  ? 23  GLY A O   1 
ATOM   169  N N   . GLU A 1 24  ? 12.38635 -8.17927  17.48463  1.000 44.22247  ? 24  GLU A N   1 
ATOM   170  C CA  . GLU A 1 24  ? 13.48548 -9.12318  17.60804  1.000 41.16102  ? 24  GLU A CA  1 
ATOM   171  C C   . GLU A 1 24  ? 13.00233 -10.51869 17.24887  1.000 43.50312  ? 24  GLU A C   1 
ATOM   172  O O   . GLU A 1 24  ? 11.83531 -10.85807 17.46044  1.000 45.47845  ? 24  GLU A O   1 
ATOM   173  C CB  . GLU A 1 24  ? 14.03137 -9.10438  19.03251  1.000 44.70890  ? 24  GLU A CB  1 
ATOM   174  C CG  . GLU A 1 24  ? 15.16491 -8.12869  19.25056  1.000 48.32379  ? 24  GLU A CG  1 
ATOM   175  C CD  . GLU A 1 24  ? 15.88216 -8.37470  20.56715  1.000 46.84123  ? 24  GLU A CD  1 
ATOM   176  O OE1 . GLU A 1 24  ? 15.45453 -9.29540  21.30156  1.000 43.69862  ? 24  GLU A OE1 1 
ATOM   177  O OE2 . GLU A 1 24  ? 16.87926 -7.66824  20.86024  1.000 46.47349  ? 24  GLU A OE2 1 
ATOM   178  N N   . PHE A 1 25  ? 13.90581 -11.31941 16.69096  1.000 38.46951  ? 25  PHE A N   1 
ATOM   179  C CA  . PHE A 1 25  ? 13.60017 -12.67788 16.26479  1.000 34.94938  ? 25  PHE A CA  1 
ATOM   180  C C   . PHE A 1 25  ? 14.81716 -13.53606 16.54955  1.000 34.99568  ? 25  PHE A C   1 
ATOM   181  O O   . PHE A 1 25  ? 15.94482 -13.07420 16.36407  1.000 37.33220  ? 25  PHE A O   1 
ATOM   182  C CB  . PHE A 1 25  ? 13.25744 -12.76256 14.74988  1.000 36.66484  ? 25  PHE A CB  1 
ATOM   183  C CG  . PHE A 1 25  ? 12.04293 -11.98813 14.36748  1.000 37.63982  ? 25  PHE A CG  1 
ATOM   184  C CD1 . PHE A 1 25  ? 12.12008 -10.62486 14.12791  1.000 40.57582  ? 25  PHE A CD1 1 
ATOM   185  C CD2 . PHE A 1 25  ? 10.81553 -12.61649 14.26979  1.000 36.17139  ? 25  PHE A CD2 1 
ATOM   186  C CE1 . PHE A 1 25  ? 10.99121 -9.89633  13.79655  1.000 39.82738  ? 25  PHE A CE1 1 
ATOM   187  C CE2 . PHE A 1 25  ? 9.68056  -11.89446 13.95316  1.000 39.36918  ? 25  PHE A CE2 1 
ATOM   188  C CZ  . PHE A 1 25  ? 9.76829  -10.52728 13.71305  1.000 40.30350  ? 25  PHE A CZ  1 
ATOM   189  N N   . THR A 1 26  ? 14.59094 -14.77271 16.99000  1.000 35.84147  ? 26  THR A N   1 
ATOM   190  C CA  . THR A 1 26  ? 15.66201 -15.76028 16.97847  1.000 30.28616  ? 26  THR A CA  1 
ATOM   191  C C   . THR A 1 26  ? 16.05479 -16.00662 15.52939  1.000 38.82192  ? 26  THR A C   1 
ATOM   192  O O   . THR A 1 26  ? 15.18567 -16.08155 14.65642  1.000 36.90165  ? 26  THR A O   1 
ATOM   193  C CB  . THR A 1 26  ? 15.17727 -17.05211 17.64355  1.000 36.19673  ? 26  THR A CB  1 
ATOM   194  O OG1 . THR A 1 26  ? 14.85899 -16.79444 19.02508  1.000 37.97901  ? 26  THR A OG1 1 
ATOM   195  C CG2 . THR A 1 26  ? 16.21667 -18.19266 17.50408  1.000 33.37013  ? 26  THR A CG2 1 
ATOM   196  N N   . MET A 1 27  ? 17.35535 -16.07908 15.23163  1.000 35.90347  ? 27  MET A N   1 
ATOM   197  C CA  . MET A 1 27  ? 17.75709 -16.28266 13.84463  1.000 37.03476  ? 27  MET A CA  1 
ATOM   198  C C   . MET A 1 27  ? 18.72306 -17.45071 13.78722  1.000 40.66412  ? 27  MET A C   1 
ATOM   199  O O   . MET A 1 27  ? 19.71098 -17.47705 14.52603  1.000 36.84721  ? 27  MET A O   1 
ATOM   200  C CB  . MET A 1 27  ? 18.38695 -15.03337 13.21360  1.000 34.30169  ? 27  MET A CB  1 
ATOM   201  C CG  . MET A 1 27  ? 19.27673 -15.35051 11.98131  1.000 38.55907  ? 27  MET A CG  1 
ATOM   202  S SD  . MET A 1 27  ? 20.00393 -13.86246 11.24265  1.000 40.75685  ? 27  MET A SD  1 
ATOM   203  C CE  . MET A 1 27  ? 18.59960 -13.11795 10.43564  1.000 35.38711  ? 27  MET A CE  1 
ATOM   204  N N   . LEU A 1 28  ? 18.40541 -18.42786 12.94624  1.000 35.57048  ? 28  LEU A N   1 
ATOM   205  C CA  . LEU A 1 28  ? 19.19264 -19.64615 12.81497  1.000 35.05773  ? 28  LEU A CA  1 
ATOM   206  C C   . LEU A 1 28  ? 20.18180 -19.47633 11.66876  1.000 41.29576  ? 28  LEU A C   1 
ATOM   207  O O   . LEU A 1 28  ? 19.77111 -19.21875 10.53465  1.000 36.15409  ? 28  LEU A O   1 
ATOM   208  C CB  . LEU A 1 28  ? 18.27298 -20.84073 12.56206  1.000 31.94748  ? 28  LEU A CB  1 
ATOM   209  C CG  . LEU A 1 28  ? 18.99270 -22.14394 12.21621  1.000 37.47463  ? 28  LEU A CG  1 
ATOM   210  C CD1 . LEU A 1 28  ? 19.65490 -22.76767 13.46057  1.000 40.42550  ? 28  LEU A CD1 1 
ATOM   211  C CD2 . LEU A 1 28  ? 18.00761 -23.11749 11.57805  1.000 36.47725  ? 28  LEU A CD2 1 
ATOM   212  N N   . GLY A 1 29  ? 21.47280 -19.61126 11.94939  1.000 40.92069  ? 29  GLY A N   1 
ATOM   213  C CA  . GLY A 1 29  ? 22.47280 -19.60147 10.89911  1.000 36.77492  ? 29  GLY A CA  1 
ATOM   214  C C   . GLY A 1 29  ? 22.65526 -21.02746 10.39657  1.000 43.84120  ? 29  GLY A C   1 
ATOM   215  O O   . GLY A 1 29  ? 22.69693 -21.96952 11.18379  1.000 38.51323  ? 29  GLY A O   1 
ATOM   216  N N   . VAL A 1 30  ? 22.72892 -21.16883 9.07716   1.000 39.27509  ? 30  VAL A N   1 
ATOM   217  C CA  . VAL A 1 30  ? 22.67206 -22.47283 8.42928   1.000 36.39931  ? 30  VAL A CA  1 
ATOM   218  C C   . VAL A 1 30  ? 24.03449 -22.89124 7.87587   1.000 40.07993  ? 30  VAL A C   1 
ATOM   219  O O   . VAL A 1 30  ? 24.47915 -24.02164 8.08320   1.000 38.94421  ? 30  VAL A O   1 
ATOM   220  C CB  . VAL A 1 30  ? 21.58216 -22.48072 7.33924   1.000 44.54354  ? 30  VAL A CB  1 
ATOM   221  C CG1 . VAL A 1 30  ? 21.50382 -23.83391 6.65738   1.000 38.01309  ? 30  VAL A CG1 1 
ATOM   222  C CG2 . VAL A 1 30  ? 20.26307 -22.08190 7.98341   1.000 36.71959  ? 30  VAL A CG2 1 
ATOM   223  N N   . HIS A 1 31  ? 24.71311 -21.98995 7.17453   1.000 40.97353  ? 31  HIS A N   1 
ATOM   224  C CA  . HIS A 1 31  ? 26.04637 -22.26623 6.65300   1.000 39.50455  ? 31  HIS A CA  1 
ATOM   225  C C   . HIS A 1 31  ? 26.63238 -20.94197 6.18992   1.000 42.40647  ? 31  HIS A C   1 
ATOM   226  O O   . HIS A 1 31  ? 25.89937 -19.99128 5.90408   1.000 41.79263  ? 31  HIS A O   1 
ATOM   227  C CB  . HIS A 1 31  ? 26.01662 -23.29509 5.50694   1.000 41.07956  ? 31  HIS A CB  1 
ATOM   228  C CG  . HIS A 1 31  ? 25.37312 -22.78272 4.25332   1.000 46.20950  ? 31  HIS A CG  1 
ATOM   229  N ND1 . HIS A 1 31  ? 26.09928 -22.35585 3.16160   1.000 48.03473  ? 31  HIS A ND1 1 
ATOM   230  C CD2 . HIS A 1 31  ? 24.07036 -22.60792 3.92827   1.000 42.21152  ? 31  HIS A CD2 1 
ATOM   231  C CE1 . HIS A 1 31  ? 25.27064 -21.94356 2.21667   1.000 42.51877  ? 31  HIS A CE1 1 
ATOM   232  N NE2 . HIS A 1 31  ? 24.03454 -22.07926 2.66113   1.000 47.90949  ? 31  HIS A NE2 1 
ATOM   233  N N   . ASP A 1 32  ? 27.96080 -20.88064 6.15216   1.000 44.27034  ? 32  ASP A N   1 
ATOM   234  C CA  . ASP A 1 32  ? 28.64926 -19.68113 5.69249   1.000 47.00495  ? 32  ASP A CA  1 
ATOM   235  C C   . ASP A 1 32  ? 28.07858 -18.41959 6.32725   1.000 45.10766  ? 32  ASP A C   1 
ATOM   236  O O   . ASP A 1 32  ? 28.13044 -18.26492 7.55223   1.000 47.70894  ? 32  ASP A O   1 
ATOM   237  C CB  . ASP A 1 32  ? 28.58215 -19.63620 4.17587   1.000 42.54476  ? 32  ASP A CB  1 
ATOM   238  C CG  . ASP A 1 32  ? 29.33501 -20.79474 3.55910   1.000 53.92747  ? 32  ASP A CG  1 
ATOM   239  O OD1 . ASP A 1 32  ? 30.58002 -20.75431 3.56973   1.000 65.41114  ? 32  ASP A OD1 1 
ATOM   240  O OD2 . ASP A 1 32  ? 28.70477 -21.76923 3.10126   1.000 57.65212  ? 32  ASP A OD2 1 
ATOM   241  N N   . ARG A 1 33  ? 27.51054 -17.52064 5.52790   1.000 42.00931  ? 33  ARG A N   1 
ATOM   242  C CA  . ARG A 1 33  ? 26.87177 -16.34589 6.10422   1.000 35.81059  ? 33  ARG A CA  1 
ATOM   243  C C   . ARG A 1 33  ? 25.38705 -16.29779 5.75914   1.000 35.65505  ? 33  ARG A C   1 
ATOM   244  O O   . ARG A 1 33  ? 24.77804 -15.22870 5.67583   1.000 37.29933  ? 33  ARG A O   1 
ATOM   245  C CB  . ARG A 1 33  ? 27.59760 -15.07927 5.67154   1.000 41.20860  ? 33  ARG A CB  1 
ATOM   246  C CG  . ARG A 1 33  ? 28.86254 -14.83756 6.46799   1.000 46.79060  ? 33  ARG A CG  1 
ATOM   247  C CD  . ARG A 1 33  ? 30.05872 -14.72467 5.52829   1.000 49.55712  ? 33  ARG A CD  1 
ATOM   248  N NE  . ARG A 1 33  ? 31.33891 -14.76293 6.22510   1.000 53.62786  ? 33  ARG A NE  1 
ATOM   249  C CZ  . ARG A 1 33  ? 32.43086 -15.36624 5.77225   1.000 51.09955  ? 33  ARG A CZ  1 
ATOM   250  N NH1 . ARG A 1 33  ? 32.39964 -16.14076 4.69950   1.000 48.74338  ? 33  ARG A NH1 1 
ATOM   251  N NH2 . ARG A 1 33  ? 33.59032 -15.15343 6.38754   1.000 48.17819  ? 33  ARG A NH2 1 
ATOM   252  N N   . VAL A 1 34  ? 24.79765 -17.47451 5.60373   1.000 37.83921  ? 34  VAL A N   1 
ATOM   253  C CA  . VAL A 1 34  ? 23.39727 -17.63661 5.24504   1.000 40.83487  ? 34  VAL A CA  1 
ATOM   254  C C   . VAL A 1 34  ? 22.61810 -18.06316 6.48107   1.000 37.23100  ? 34  VAL A C   1 
ATOM   255  O O   . VAL A 1 34  ? 23.01946 -19.00775 7.17346   1.000 39.29937  ? 34  VAL A O   1 
ATOM   256  C CB  . VAL A 1 34  ? 23.25004 -18.66726 4.11713   1.000 38.48320  ? 34  VAL A CB  1 
ATOM   257  C CG1 . VAL A 1 34  ? 21.78223 -18.93223 3.83545   1.000 36.51977  ? 34  VAL A CG1 1 
ATOM   258  C CG2 . VAL A 1 34  ? 23.98869 -18.15339 2.83459   1.000 38.67782  ? 34  VAL A CG2 1 
ATOM   259  N N   . ALA A 1 35  ? 21.49558 -17.38032 6.74653   1.000 36.96143  ? 35  ALA A N   1 
ATOM   260  C CA  . ALA A 1 35  ? 20.63589 -17.65236 7.89482   1.000 37.83163  ? 35  ALA A CA  1 
ATOM   261  C C   . ALA A 1 35  ? 19.18282 -17.58662 7.43436   1.000 41.75167  ? 35  ALA A C   1 
ATOM   262  O O   . ALA A 1 35  ? 18.89363 -17.29492 6.26790   1.000 39.90298  ? 35  ALA A O   1 
ATOM   263  C CB  . ALA A 1 35  ? 20.89749 -16.66775 9.04519   1.000 30.92442  ? 35  ALA A CB  1 
ATOM   264  N N   . VAL A 1 36  ? 18.26024 -17.86618 8.36317   1.000 34.67889  ? 36  VAL A N   1 
ATOM   265  C CA  . VAL A 1 36  ? 16.82793 -17.82245 8.10135   1.000 30.10132  ? 36  VAL A CA  1 
ATOM   266  C C   . VAL A 1 36  ? 16.13714 -16.99708 9.17778   1.000 36.90453  ? 36  VAL A C   1 
ATOM   267  O O   . VAL A 1 36  ? 16.58073 -16.91130 10.32412  1.000 36.16972  ? 36  VAL A O   1 
ATOM   268  C CB  . VAL A 1 36  ? 16.16539 -19.22920 8.03204   1.000 36.45966  ? 36  VAL A CB  1 
ATOM   269  C CG1 . VAL A 1 36  ? 16.66516 -20.02716 6.80442   1.000 32.43303  ? 36  VAL A CG1 1 
ATOM   270  C CG2 . VAL A 1 36  ? 16.36936 -20.03195 9.36150   1.000 35.33775  ? 36  VAL A CG2 1 
ATOM   271  N N   . ILE A 1 37  ? 14.98795 -16.45313 8.80130   1.000 39.03141  ? 37  ILE A N   1 
ATOM   272  C CA  . ILE A 1 37  ? 14.16469 -15.68561 9.72058   1.000 38.37605  ? 37  ILE A CA  1 
ATOM   273  C C   . ILE A 1 37  ? 12.73222 -15.76059 9.20022   1.000 41.08316  ? 37  ILE A C   1 
ATOM   274  O O   . ILE A 1 37  ? 12.52398 -15.90461 7.98445   1.000 43.71503  ? 37  ILE A O   1 
ATOM   275  C CB  . ILE A 1 37  ? 14.67628 -14.24073 9.81942   1.000 39.42580  ? 37  ILE A CB  1 
ATOM   276  C CG1 . ILE A 1 37  ? 13.91575 -13.44831 10.88768  1.000 38.37242  ? 37  ILE A CG1 1 
ATOM   277  C CG2 . ILE A 1 37  ? 14.59933 -13.57660 8.43305   1.000 37.24166  ? 37  ILE A CG2 1 
ATOM   278  C CD1 . ILE A 1 37  ? 14.57088 -12.15011 11.27128  1.000 42.31820  ? 37  ILE A CD1 1 
ATOM   279  N N   . PRO A 1 38  ? 11.71715 -15.70267 10.06721  1.000 39.94858  ? 38  PRO A N   1 
ATOM   280  C CA  . PRO A 1 38  ? 10.33412 -15.71711 9.56611   1.000 37.84512  ? 38  PRO A CA  1 
ATOM   281  C C   . PRO A 1 38  ? 10.08793 -14.56390 8.60455   1.000 41.77013  ? 38  PRO A C   1 
ATOM   282  O O   . PRO A 1 38  ? 10.52880 -13.43614 8.83786   1.000 39.52215  ? 38  PRO A O   1 
ATOM   283  C CB  . PRO A 1 38  ? 9.49133  -15.56810 10.83684  1.000 41.39166  ? 38  PRO A CB  1 
ATOM   284  C CG  . PRO A 1 38  ? 10.37402 -16.05298 11.92111  1.000 34.54276  ? 38  PRO A CG  1 
ATOM   285  C CD  . PRO A 1 38  ? 11.77460 -15.67287 11.53851  1.000 38.11287  ? 38  PRO A CD  1 
ATOM   286  N N   . THR A 1 39  ? 9.35638  -14.84236 7.52573   1.000 42.06952  ? 39  THR A N   1 
ATOM   287  C CA  . THR A 1 39  ? 9.15243  -13.79167 6.53281   1.000 42.75645  ? 39  THR A CA  1 
ATOM   288  C C   . THR A 1 39  ? 8.48432  -12.55569 7.13332   1.000 43.32845  ? 39  THR A C   1 
ATOM   289  O O   . THR A 1 39  ? 8.71758  -11.44123 6.65212   1.000 42.83881  ? 39  THR A O   1 
ATOM   290  C CB  . THR A 1 39  ? 8.34522  -14.31336 5.34372   1.000 42.68376  ? 39  THR A CB  1 
ATOM   291  O OG1 . THR A 1 39  ? 9.08411  -15.35383 4.69611   1.000 38.27222  ? 39  THR A OG1 1 
ATOM   292  C CG2 . THR A 1 39  ? 8.09391  -13.19226 4.33383   1.000 34.71211  ? 39  THR A CG2 1 
ATOM   293  N N   . HIS A 1 40  ? 7.68298  -12.70540 8.19292   1.000 46.39288  ? 40  HIS A N   1 
ATOM   294  C CA  . HIS A 1 40  ? 6.97838  -11.52172 8.67998   1.000 45.61867  ? 40  HIS A CA  1 
ATOM   295  C C   . HIS A 1 40  ? 7.88542  -10.57250 9.45430   1.000 40.10378  ? 40  HIS A C   1 
ATOM   296  O O   . HIS A 1 40  ? 7.44429  -9.48559  9.84247   1.000 41.18535  ? 40  HIS A O   1 
ATOM   297  C CB  . HIS A 1 40  ? 5.73998  -11.90589 9.51441   1.000 44.03264  ? 40  HIS A CB  1 
ATOM   298  C CG  . HIS A 1 40  ? 6.02020  -12.57022 10.83948  1.000 52.07016  ? 40  HIS A CG  1 
ATOM   299  N ND1 . HIS A 1 40  ? 6.18925  -13.93491 10.97826  1.000 49.19511  ? 40  HIS A ND1 1 
ATOM   300  C CD2 . HIS A 1 40  ? 6.02115  -12.06911 12.09873  1.000 47.66291  ? 40  HIS A CD2 1 
ATOM   301  C CE1 . HIS A 1 40  ? 6.35236  -14.23068 12.25714  1.000 50.54621  ? 40  HIS A CE1 1 
ATOM   302  N NE2 . HIS A 1 40  ? 6.25203  -13.11592 12.95853  1.000 42.39147  ? 40  HIS A NE2 1 
ATOM   303  N N   . ALA A 1 41  ? 9.15225  -10.93491 9.64518   1.000 37.61616  ? 41  ALA A N   1 
ATOM   304  C CA  . ALA A 1 41  ? 10.14233 -9.99362  10.15362  1.000 37.36341  ? 41  ALA A CA  1 
ATOM   305  C C   . ALA A 1 41  ? 10.38081 -8.79806  9.21788   1.000 42.16843  ? 41  ALA A C   1 
ATOM   306  O O   . ALA A 1 41  ? 10.95149 -7.79207  9.65081   1.000 43.22281  ? 41  ALA A O   1 
ATOM   307  C CB  . ALA A 1 41  ? 11.45103 -10.74193 10.40574  1.000 39.15199  ? 41  ALA A CB  1 
ATOM   308  N N   A SER A 1 42  ? 9.96946  -8.87311  7.95244   0.518 43.61937  ? 42  SER A N   1 
ATOM   309  N N   B SER A 1 42  ? 9.98226  -8.88343  7.95081   0.482 43.68525  ? 42  SER A N   1 
ATOM   310  C CA  A SER A 1 42  ? 10.10419 -7.73711  7.03544   0.518 44.55273  ? 42  SER A CA  1 
ATOM   311  C CA  B SER A 1 42  ? 10.10146 -7.74598  7.03870   0.482 44.55167  ? 42  SER A CA  1 
ATOM   312  C C   A SER A 1 42  ? 11.56234 -7.27632  6.93929   0.518 41.96982  ? 42  SER A C   1 
ATOM   313  C C   B SER A 1 42  ? 11.55639 -7.27737  6.93011   0.482 42.86928  ? 42  SER A C   1 
ATOM   314  O O   A SER A 1 42  ? 11.90173 -6.12993  7.23449   0.518 44.76193  ? 42  SER A O   1 
ATOM   315  O O   B SER A 1 42  ? 11.88925 -6.12604  7.21421   0.482 44.77578  ? 42  SER A O   1 
ATOM   316  C CB  A SER A 1 42  ? 9.19616  -6.57785  7.47166   0.518 46.90892  ? 42  SER A CB  1 
ATOM   317  C CB  B SER A 1 42  ? 9.19834  -6.59097  7.49237   0.482 47.27280  ? 42  SER A CB  1 
ATOM   318  O OG  A SER A 1 42  ? 8.90241  -5.69093  6.40158   0.518 48.68961  ? 42  SER A OG  1 
ATOM   319  O OG  B SER A 1 42  ? 7.83146  -6.96318  7.54485   0.482 46.57988  ? 42  SER A OG  1 
ATOM   320  N N   . VAL A 1 43  ? 12.42927 -8.19976  6.51985   1.000 44.35702  ? 43  VAL A N   1 
ATOM   321  C CA  . VAL A 1 43  ? 13.84696 -7.88240  6.37386   1.000 42.91183  ? 43  VAL A CA  1 
ATOM   322  C C   . VAL A 1 43  ? 14.04906 -6.85563  5.26908   1.000 46.34642  ? 43  VAL A C   1 
ATOM   323  O O   . VAL A 1 43  ? 13.42781 -6.93634  4.20114   1.000 45.93859  ? 43  VAL A O   1 
ATOM   324  C CB  . VAL A 1 43  ? 14.65120 -9.15839  6.08381   1.000 43.11422  ? 43  VAL A CB  1 
ATOM   325  C CG1 . VAL A 1 43  ? 16.12996 -8.81816  5.91416   1.000 42.47052  ? 43  VAL A CG1 1 
ATOM   326  C CG2 . VAL A 1 43  ? 14.45408 -10.14909 7.21756   1.000 43.73109  ? 43  VAL A CG2 1 
ATOM   327  N N   . GLY A 1 44  ? 14.93878 -5.89160  5.50471   1.000 44.83275  ? 44  GLY A N   1 
ATOM   328  C CA  . GLY A 1 44  ? 15.22814 -4.88076  4.50119   1.000 46.19752  ? 44  GLY A CA  1 
ATOM   329  C C   . GLY A 1 44  ? 16.65605 -4.93602  3.99038   1.000 43.85212  ? 44  GLY A C   1 
ATOM   330  O O   . GLY A 1 44  ? 17.19389 -6.02326  3.76584   1.000 44.47454  ? 44  GLY A O   1 
ATOM   331  N N   . GLU A 1 45  ? 17.29502 -3.77258  3.84527   1.000 43.69789  ? 45  GLU A N   1 
ATOM   332  C CA  . GLU A 1 45  ? 18.65901 -3.64512  3.34246   1.000 49.01825  ? 45  GLU A CA  1 
ATOM   333  C C   . GLU A 1 45  ? 19.71216 -3.83730  4.42527   1.000 44.63128  ? 45  GLU A C   1 
ATOM   334  O O   . GLU A 1 45  ? 20.86928 -4.14570  4.12026   1.000 45.87165  ? 45  GLU A O   1 
ATOM   335  C CB  . GLU A 1 45  ? 18.85936 -2.25370  2.74435   1.000 49.81019  ? 45  GLU A CB  1 
ATOM   336  C CG  . GLU A 1 45  ? 18.19966 -2.02371  1.45435   1.000 55.14400  ? 45  GLU A CG  1 
ATOM   337  C CD  . GLU A 1 45  ? 18.70076 -0.76073  0.78251   1.000 48.45028  ? 45  GLU A CD  1 
ATOM   338  O OE1 . GLU A 1 45  ? 19.03103 0.24060   1.46456   1.000 57.67345  ? 45  GLU A OE1 1 
ATOM   339  O OE2 . GLU A 1 45  ? 18.71994 -0.77982  -0.44869  1.000 61.59001  ? 45  GLU A OE2 1 
ATOM   340  N N   . THR A 1 46  ? 19.35317 -3.58848  5.67796   1.000 43.09866  ? 46  THR A N   1 
ATOM   341  C CA  . THR A 1 46  ? 20.24379 -3.79646  6.80761   1.000 45.93779  ? 46  THR A CA  1 
ATOM   342  C C   . THR A 1 46  ? 19.45428 -4.43269  7.93605   1.000 43.30502  ? 46  THR A C   1 
ATOM   343  O O   . THR A 1 46  ? 18.23191 -4.29484  8.02739   1.000 44.56163  ? 46  THR A O   1 
ATOM   344  C CB  . THR A 1 46  ? 20.83317 -2.49271  7.33262   1.000 51.01145  ? 46  THR A CB  1 
ATOM   345  O OG1 . THR A 1 46  ? 19.74574 -1.61239  7.62875   1.000 51.74723  ? 46  THR A OG1 1 
ATOM   346  C CG2 . THR A 1 46  ? 21.76633 -1.84585  6.32477   1.000 49.21166  ? 46  THR A CG2 1 
ATOM   347  N N   . ILE A 1 47  ? 20.17269 -5.11150  8.82568   1.000 42.45591  ? 47  ILE A N   1 
ATOM   348  C CA  . ILE A 1 47  ? 19.54937 -5.77434  9.95768   1.000 45.86350  ? 47  ILE A CA  1 
ATOM   349  C C   . ILE A 1 47  ? 20.52852 -5.72044  11.12599  1.000 46.77883  ? 47  ILE A C   1 
ATOM   350  O O   . ILE A 1 47  ? 21.74436 -5.69370  10.91758  1.000 45.41986  ? 47  ILE A O   1 
ATOM   351  C CB  . ILE A 1 47  ? 19.15963 -7.22036  9.56021   1.000 45.74437  ? 47  ILE A CB  1 
ATOM   352  C CG1 . ILE A 1 47  ? 18.24462 -7.87611  10.59693  1.000 43.18496  ? 47  ILE A CG1 1 
ATOM   353  C CG2 . ILE A 1 47  ? 20.40936 -8.05537  9.26786   1.000 40.89226  ? 47  ILE A CG2 1 
ATOM   354  C CD1 . ILE A 1 47  ? 17.68509 -9.21482  10.13437  1.000 40.46830  ? 47  ILE A CD1 1 
ATOM   355  N N   . TYR A 1 48  ? 19.99471 -5.66946  12.35445  1.000 46.66826  ? 48  TYR A N   1 
ATOM   356  C CA  . TYR A 1 48  ? 20.81434 -5.80421  13.55805  1.000 46.08221  ? 48  TYR A CA  1 
ATOM   357  C C   . TYR A 1 48  ? 20.99929 -7.27716  13.88368  1.000 44.36120  ? 48  TYR A C   1 
ATOM   358  O O   . TYR A 1 48  ? 20.02339 -8.02115  14.01123  1.000 45.76994  ? 48  TYR A O   1 
ATOM   359  C CB  . TYR A 1 48  ? 20.19775 -5.06250  14.75143  1.000 44.02458  ? 48  TYR A CB  1 
ATOM   360  C CG  . TYR A 1 48  ? 20.23406 -3.57080  14.52458  1.000 51.99908  ? 48  TYR A CG  1 
ATOM   361  C CD1 . TYR A 1 48  ? 21.41908 -2.84669  14.69383  1.000 48.75292  ? 48  TYR A CD1 1 
ATOM   362  C CD2 . TYR A 1 48  ? 19.13314 -2.91172  13.98035  1.000 54.80249  ? 48  TYR A CD2 1 
ATOM   363  C CE1 . TYR A 1 48  ? 21.46745 -1.48438  14.42447  1.000 54.03243  ? 48  TYR A CE1 1 
ATOM   364  C CE2 . TYR A 1 48  ? 19.17733 -1.55507  13.69285  1.000 56.13719  ? 48  TYR A CE2 1 
ATOM   365  C CZ  . TYR A 1 48  ? 20.34120 -0.85176  13.92005  1.000 56.93139  ? 48  TYR A CZ  1 
ATOM   366  O OH  . TYR A 1 48  ? 20.36984 0.49185   13.64557  1.000 67.28415  ? 48  TYR A OH  1 
ATOM   367  N N   . ILE A 1 49  ? 22.25916 -7.67955  14.00864  1.000 39.96620  ? 49  ILE A N   1 
ATOM   368  C CA  . ILE A 1 49  ? 22.65879 -9.01318  14.42874  1.000 41.02838  ? 49  ILE A CA  1 
ATOM   369  C C   . ILE A 1 49  ? 23.41051 -8.87117  15.75264  1.000 43.02276  ? 49  ILE A C   1 
ATOM   370  O O   . ILE A 1 49  ? 24.56024 -8.40744  15.77159  1.000 42.36702  ? 49  ILE A O   1 
ATOM   371  C CB  . ILE A 1 49  ? 23.55154 -9.68399  13.37347  1.000 40.45739  ? 49  ILE A CB  1 
ATOM   372  C CG1 . ILE A 1 49  ? 22.90834 -9.66365  11.96672  1.000 38.47911  ? 49  ILE A CG1 1 
ATOM   373  C CG2 . ILE A 1 49  ? 23.92706 -11.09425 13.83285  1.000 36.66309  ? 49  ILE A CG2 1 
ATOM   374  C CD1 . ILE A 1 49  ? 21.62597 -10.50587 11.86364  1.000 32.83438  ? 49  ILE A CD1 1 
ATOM   375  N N   . ASN A 1 50  ? 22.79798 -9.29192  16.86849  1.000 43.17867  ? 50  ASN A N   1 
ATOM   376  C CA  . ASN A 1 50  ? 23.45875 -9.13270  18.16207  1.000 37.90179  ? 50  ASN A CA  1 
ATOM   377  C C   . ASN A 1 50  ? 23.79066 -7.65625  18.37893  1.000 36.24450  ? 50  ASN A C   1 
ATOM   378  O O   . ASN A 1 50  ? 24.89008 -7.29399  18.79787  1.000 46.77722  ? 50  ASN A O   1 
ATOM   379  C CB  . ASN A 1 50  ? 24.71331 -10.00589 18.23064  1.000 38.18932  ? 50  ASN A CB  1 
ATOM   380  C CG  . ASN A 1 50  ? 24.38509 -11.48015 18.45314  1.000 41.17719  ? 50  ASN A CG  1 
ATOM   381  O OD1 . ASN A 1 50  ? 23.21641 -11.85955 18.49531  1.000 38.96713  ? 50  ASN A OD1 1 
ATOM   382  N ND2 . ASN A 1 50  ? 25.40015 -12.32220 18.34805  1.000 44.83027  ? 50  ASN A ND2 1 
ATOM   383  N N   . ASP A 1 51  ? 22.82160 -6.81035  18.02609  1.000 41.36927  ? 51  ASP A N   1 
ATOM   384  C CA  . ASP A 1 51  ? 22.85548 -5.35272  18.15257  1.000 48.76490  ? 51  ASP A CA  1 
ATOM   385  C C   . ASP A 1 51  ? 23.90756 -4.68154  17.27719  1.000 55.19415  ? 51  ASP A C   1 
ATOM   386  O O   . ASP A 1 51  ? 24.21951 -3.50838  17.49171  1.000 57.27840  ? 51  ASP A O   1 
ATOM   387  C CB  . ASP A 1 51  ? 23.02794 -4.93564  19.61291  1.000 49.14897  ? 51  ASP A CB  1 
ATOM   388  C CG  . ASP A 1 51  ? 21.91640 -5.47199  20.47727  1.000 54.04305  ? 51  ASP A CG  1 
ATOM   389  O OD1 . ASP A 1 51  ? 20.75924 -5.07285  20.20878  1.000 51.10268  ? 51  ASP A OD1 1 
ATOM   390  O OD2 . ASP A 1 51  ? 22.18183 -6.31379  21.36988  1.000 55.27333  ? 51  ASP A OD2 1 
ATOM   391  N N   . VAL A 1 52  ? 24.42790 -5.37161  16.26732  1.000 49.36542  ? 52  VAL A N   1 
ATOM   392  C CA  . VAL A 1 52  ? 25.40137 -4.81063  15.33442  1.000 47.20260  ? 52  VAL A CA  1 
ATOM   393  C C   . VAL A 1 52  ? 24.72859 -4.66546  13.98281  1.000 52.04470  ? 52  VAL A C   1 
ATOM   394  O O   . VAL A 1 52  ? 24.24219 -5.65576  13.42379  1.000 45.81434  ? 52  VAL A O   1 
ATOM   395  C CB  . VAL A 1 52  ? 26.63518 -5.70580  15.20294  1.000 52.18608  ? 52  VAL A CB  1 
ATOM   396  C CG1 . VAL A 1 52  ? 27.60396 -5.11192  14.16868  1.000 46.37979  ? 52  VAL A CG1 1 
ATOM   397  C CG2 . VAL A 1 52  ? 27.26405 -5.94286  16.57812  1.000 49.59947  ? 52  VAL A CG2 1 
ATOM   398  N N   . GLU A 1 53  ? 24.71140 -3.44913  13.44035  1.000 53.46077  ? 53  GLU A N   1 
ATOM   399  C CA  . GLU A 1 53  ? 24.05885 -3.27051  12.15461  1.000 51.98928  ? 53  GLU A CA  1 
ATOM   400  C C   . GLU A 1 53  ? 24.83206 -4.01628  11.08018  1.000 48.08967  ? 53  GLU A C   1 
ATOM   401  O O   . GLU A 1 53  ? 26.06393 -3.97983  11.02993  1.000 48.20281  ? 53  GLU A O   1 
ATOM   402  C CB  . GLU A 1 53  ? 23.91763 -1.79978  11.78081  1.000 50.83183  ? 53  GLU A CB  1 
ATOM   403  C CG  . GLU A 1 53  ? 22.69752 -1.57535  10.90561  1.000 58.66866  ? 53  GLU A CG  1 
ATOM   404  C CD  . GLU A 1 53  ? 22.58121 -0.15465  10.42454  1.000 70.52034  ? 53  GLU A CD  1 
ATOM   405  O OE1 . GLU A 1 53  ? 21.70715 0.11673   9.56999   1.000 72.73137  ? 53  GLU A OE1 1 
ATOM   406  O OE2 . GLU A 1 53  ? 23.36556 0.69027   10.90706  1.000 75.74455  ? 53  GLU A OE2 1 
ATOM   407  N N   . THR A 1 54  ? 24.10103 -4.72513  10.23786  1.000 49.82331  ? 54  THR A N   1 
ATOM   408  C CA  . THR A 1 54  ? 24.73873 -5.62817  9.30477   1.000 45.64546  ? 54  THR A CA  1 
ATOM   409  C C   . THR A 1 54  ? 24.03716 -5.48765  7.96567   1.000 43.47415  ? 54  THR A C   1 
ATOM   410  O O   . THR A 1 54  ? 22.80922 -5.38032  7.89940   1.000 42.82508  ? 54  THR A O   1 
ATOM   411  C CB  . THR A 1 54  ? 24.71219 -7.07686  9.84697   1.000 45.06140  ? 54  THR A CB  1 
ATOM   412  O OG1 . THR A 1 54  ? 25.28020 -7.10170  11.17194  1.000 47.29076  ? 54  THR A OG1 1 
ATOM   413  C CG2 . THR A 1 54  ? 25.50444 -8.01677  8.94698   1.000 41.01341  ? 54  THR A CG2 1 
ATOM   414  N N   . LYS A 1 55  ? 24.83678 -5.42860  6.90918   1.000 40.99555  ? 55  LYS A N   1 
ATOM   415  C CA  . LYS A 1 55  ? 24.31118 -5.36363  5.55715   1.000 44.20304  ? 55  LYS A CA  1 
ATOM   416  C C   . LYS A 1 55  ? 23.66765 -6.69602  5.16090   1.000 39.14224  ? 55  LYS A C   1 
ATOM   417  O O   . LYS A 1 55  ? 24.27470 -7.76432  5.30382   1.000 36.34750  ? 55  LYS A O   1 
ATOM   418  C CB  . LYS A 1 55  ? 25.44768 -5.00578  4.60135   1.000 47.02030  ? 55  LYS A CB  1 
ATOM   419  C CG  . LYS A 1 55  ? 25.07150 -4.20229  3.39360   1.000 48.99250  ? 55  LYS A CG  1 
ATOM   420  C CD  . LYS A 1 55  ? 26.32072 -3.79113  2.61190   1.000 43.93119  ? 55  LYS A CD  1 
ATOM   421  C CE  . LYS A 1 55  ? 26.92760 -2.51736  3.17533   1.000 40.14857  ? 55  LYS A CE  1 
ATOM   422  N NZ  . LYS A 1 55  ? 26.08060 -1.31382  2.84119   1.000 39.77232  ? 55  LYS A NZ  1 
ATOM   423  N N   . VAL A 1 56  ? 22.44079 -6.62810  4.64936   1.000 37.42631  ? 56  VAL A N   1 
ATOM   424  C CA  . VAL A 1 56  ? 21.73999 -7.80570  4.14140   1.000 32.21077  ? 56  VAL A CA  1 
ATOM   425  C C   . VAL A 1 56  ? 22.03255 -7.90972  2.64306   1.000 42.57349  ? 56  VAL A C   1 
ATOM   426  O O   . VAL A 1 56  ? 21.48512 -7.16118  1.83148   1.000 39.23723  ? 56  VAL A O   1 
ATOM   427  C CB  . VAL A 1 56  ? 20.24423 -7.73211  4.46902   1.000 32.29679  ? 56  VAL A CB  1 
ATOM   428  C CG1 . VAL A 1 56  ? 19.50718 -8.89144  3.89054   1.000 35.37943  ? 56  VAL A CG1 1 
ATOM   429  C CG2 . VAL A 1 56  ? 20.03123 -7.69578  6.05517   1.000 35.91849  ? 56  VAL A CG2 1 
ATOM   430  N N   . LEU A 1 57  ? 22.90620 -8.85116  2.25643   1.000 36.38116  ? 57  LEU A N   1 
ATOM   431  C CA  . LEU A 1 57  ? 23.36251 -8.91491  0.86784   1.000 36.89028  ? 57  LEU A CA  1 
ATOM   432  C C   . LEU A 1 57  ? 22.35453 -9.59673  -0.04862  1.000 47.49395  ? 57  LEU A C   1 
ATOM   433  O O   . LEU A 1 57  ? 22.37773 -9.36595  -1.26948  1.000 44.17460  ? 57  LEU A O   1 
ATOM   434  C CB  . LEU A 1 57  ? 24.70898 -9.64314  0.77455   1.000 38.24436  ? 57  LEU A CB  1 
ATOM   435  C CG  . LEU A 1 57  ? 25.89426 -9.04627  1.54676   1.000 35.94731  ? 57  LEU A CG  1 
ATOM   436  C CD1 . LEU A 1 57  ? 27.11985 -9.93302  1.45904   1.000 36.47050  ? 57  LEU A CD1 1 
ATOM   437  C CD2 . LEU A 1 57  ? 26.22126 -7.63166  1.06803   1.000 37.19949  ? 57  LEU A CD2 1 
ATOM   438  N N   . ASP A 1 58  ? 21.49271 -10.44123 0.51612   1.000 41.56077  ? 58  ASP A N   1 
ATOM   439  C CA  . ASP A 1 58  ? 20.42158 -11.07034 -0.23653  1.000 42.14563  ? 58  ASP A CA  1 
ATOM   440  C C   . ASP A 1 58  ? 19.34717 -11.49009 0.75216   1.000 45.46947  ? 58  ASP A C   1 
ATOM   441  O O   . ASP A 1 58  ? 19.63447 -11.75309 1.91923   1.000 43.98870  ? 58  ASP A O   1 
ATOM   442  C CB  . ASP A 1 58  ? 20.91611 -12.27342 -1.05140  1.000 45.22229  ? 58  ASP A CB  1 
ATOM   443  C CG  . ASP A 1 58  ? 20.00574 -12.60090 -2.22695  1.000 50.49409  ? 58  ASP A CG  1 
ATOM   444  O OD1 . ASP A 1 58  ? 18.98350 -11.90922 -2.40121  1.000 44.90567  ? 58  ASP A OD1 1 
ATOM   445  O OD2 . ASP A 1 58  ? 20.30567 -13.55693 -2.96448  1.000 45.66793  ? 58  ASP A OD2 1 
ATOM   446  N N   . ALA A 1 59  ? 18.10348 -11.48157 0.28457   1.000 43.64754  ? 59  ALA A N   1 
ATOM   447  C CA  . ALA A 1 59  ? 16.96626 -11.91489 1.08534   1.000 40.75763  ? 59  ALA A CA  1 
ATOM   448  C C   . ALA A 1 59  ? 15.97455 -12.53971 0.12364   1.000 51.81081  ? 59  ALA A C   1 
ATOM   449  O O   . ALA A 1 59  ? 15.52489 -11.86678 -0.80814  1.000 50.23275  ? 59  ALA A O   1 
ATOM   450  C CB  . ALA A 1 59  ? 16.32051 -10.74864 1.83210   1.000 46.95696  ? 59  ALA A CB  1 
ATOM   451  N N   . CYS A 1 60  ? 15.67387 -13.82316 0.30007   1.000 40.17694  ? 60  CYS A N   1 
ATOM   452  C CA  A CYS A 1 60  ? 14.72397 -14.51280 -0.56155  0.563 45.47721  ? 60  CYS A CA  1 
ATOM   453  C CA  B CYS A 1 60  ? 14.71518 -14.51769 -0.55646  0.437 45.21688  ? 60  CYS A CA  1 
ATOM   454  C C   . CYS A 1 60  ? 13.57733 -15.04373 0.29865   1.000 43.20277  ? 60  CYS A C   1 
ATOM   455  O O   . CYS A 1 60  ? 13.77832 -15.94321 1.11860   1.000 42.34557  ? 60  CYS A O   1 
ATOM   456  C CB  A CYS A 1 60  ? 15.42401 -15.62707 -1.34717  0.563 45.64002  ? 60  CYS A CB  1 
ATOM   457  C CB  B CYS A 1 60  ? 15.34960 -15.67008 -1.33045  0.437 45.98790  ? 60  CYS A CB  1 
ATOM   458  S SG  A CYS A 1 60  ? 17.02060 -15.14122 -2.15850  0.563 46.80395  ? 60  CYS A SG  1 
ATOM   459  S SG  B CYS A 1 60  ? 14.26303 -16.30550 -2.64957  0.437 56.12620  ? 60  CYS A SG  1 
ATOM   460  N N   . ALA A 1 61  ? 12.38297 -14.48604 0.09755   1.000 39.71335  ? 61  ALA A N   1 
ATOM   461  C CA  . ALA A 1 61  ? 11.17598 -14.91849 0.79961   1.000 43.50464  ? 61  ALA A CA  1 
ATOM   462  C C   . ALA A 1 61  ? 10.62649 -16.17173 0.12421   1.000 45.82628  ? 61  ALA A C   1 
ATOM   463  O O   . ALA A 1 61  ? 10.10382 -16.08608 -0.98894  1.000 40.30421  ? 61  ALA A O   1 
ATOM   464  C CB  . ALA A 1 61  ? 10.13820 -13.79988 0.77881   1.000 41.53229  ? 61  ALA A CB  1 
ATOM   465  N N   . LEU A 1 62  ? 10.71481 -17.33513 0.76870   1.000 37.15677  ? 62  LEU A N   1 
ATOM   466  C CA  . LEU A 1 62  ? 10.35515 -18.55656 0.04960   1.000 43.24222  ? 62  LEU A CA  1 
ATOM   467  C C   . LEU A 1 62  ? 8.84751  -18.63696 -0.18618  1.000 44.01740  ? 62  LEU A C   1 
ATOM   468  O O   . LEU A 1 62  ? 8.05638  -18.33214 0.70684   1.000 36.35106  ? 62  LEU A O   1 
ATOM   469  C CB  . LEU A 1 62  ? 10.83272 -19.79212 0.80734   1.000 39.37187  ? 62  LEU A CB  1 
ATOM   470  C CG  . LEU A 1 62  ? 12.34480 -19.81084 1.02623   1.000 43.77072  ? 62  LEU A CG  1 
ATOM   471  C CD1 . LEU A 1 62  ? 12.86567 -21.18327 1.51631   1.000 40.77347  ? 62  LEU A CD1 1 
ATOM   472  C CD2 . LEU A 1 62  ? 13.05187 -19.39752 -0.26222  1.000 39.03109  ? 62  LEU A CD2 1 
ATOM   473  N N   . ARG A 1 63  ? 8.45231  -19.01629 -1.41285  1.000 36.52653  ? 63  ARG A N   1 
ATOM   474  C CA  . ARG A 1 63  ? 7.08575  -19.41668 -1.75465  1.000 39.36534  ? 63  ARG A CA  1 
ATOM   475  C C   . ARG A 1 63  ? 7.14119  -20.69199 -2.59631  1.000 41.63227  ? 63  ARG A C   1 
ATOM   476  O O   . ARG A 1 63  ? 8.15327  -20.96239 -3.25108  1.000 40.83872  ? 63  ARG A O   1 
ATOM   477  C CB  . ARG A 1 63  ? 6.35010  -18.30094 -2.52725  1.000 41.78222  ? 63  ARG A CB  1 
ATOM   478  C CG  . ARG A 1 63  ? 6.40234  -16.94490 -1.85975  1.000 41.50809  ? 63  ARG A CG  1 
ATOM   479  C CD  . ARG A 1 63  ? 5.74534  -15.83021 -2.70282  1.000 46.96263  ? 63  ARG A CD  1 
ATOM   480  N NE  . ARG A 1 63  ? 4.28724  -15.92595 -2.76426  1.000 40.30784  ? 63  ARG A NE  1 
ATOM   481  C CZ  . ARG A 1 63  ? 3.43820  -15.51272 -1.82472  1.000 48.62840  ? 63  ARG A CZ  1 
ATOM   482  N NH1 . ARG A 1 63  ? 3.85867  -15.01799 -0.66849  1.000 50.52947  ? 63  ARG A NH1 1 
ATOM   483  N NH2 . ARG A 1 63  ? 2.12998  -15.62276 -2.04432  1.000 52.30588  ? 63  ARG A NH2 1 
ATOM   484  N N   . ASP A 1 64  ? 6.06046  -21.49194 -2.57503  1.000 38.71901  ? 64  ASP A N   1 
ATOM   485  C CA  . ASP A 1 64  ? 6.03230  -22.74776 -3.32249  1.000 40.35017  ? 64  ASP A CA  1 
ATOM   486  C C   . ASP A 1 64  ? 5.47676  -22.50454 -4.72339  1.000 42.58417  ? 64  ASP A C   1 
ATOM   487  O O   . ASP A 1 64  ? 5.14650  -21.37736 -5.09965  1.000 39.08394  ? 64  ASP A O   1 
ATOM   488  C CB  . ASP A 1 64  ? 5.23635  -23.83271 -2.58059  1.000 38.22816  ? 64  ASP A CB  1 
ATOM   489  C CG  . ASP A 1 64  ? 3.74396  -23.50380 -2.43343  1.000 44.79395  ? 64  ASP A CG  1 
ATOM   490  O OD1 . ASP A 1 64  ? 3.20262  -22.69977 -3.22597  1.000 40.43914  ? 64  ASP A OD1 1 
ATOM   491  O OD2 . ASP A 1 64  ? 3.10433  -24.05368 -1.50287  1.000 46.49119  ? 64  ASP A OD2 1 
ATOM   492  N N   . LEU A 1 65  ? 5.36186  -23.57648 -5.51112  1.000 40.51786  ? 65  LEU A N   1 
ATOM   493  C CA  . LEU A 1 65  ? 4.95793  -23.39358 -6.89836  1.000 41.63634  ? 65  LEU A CA  1 
ATOM   494  C C   . LEU A 1 65  ? 3.48332  -23.06200 -7.04144  1.000 45.79986  ? 65  LEU A C   1 
ATOM   495  O O   . LEU A 1 65  ? 3.03482  -22.80370 -8.15946  1.000 42.62459  ? 65  LEU A O   1 
ATOM   496  C CB  . LEU A 1 65  ? 5.30512  -24.63292 -7.72509  1.000 39.63785  ? 65  LEU A CB  1 
ATOM   497  C CG  . LEU A 1 65  ? 6.67604  -24.58897 -8.41041  1.000 45.36548  ? 65  LEU A CG  1 
ATOM   498  C CD1 . LEU A 1 65  ? 6.74269  -23.57558 -9.56985  1.000 45.69316  ? 65  LEU A CD1 1 
ATOM   499  C CD2 . LEU A 1 65  ? 7.71441  -24.25560 -7.36232  1.000 46.44113  ? 65  LEU A CD2 1 
ATOM   500  N N   . THR A 1 66  ? 2.70973  -23.04998 -5.96079  1.000 37.95599  ? 66  THR A N   1 
ATOM   501  C CA  . THR A 1 66  ? 1.36635  -22.49734 -6.03470  1.000 36.75185  ? 66  THR A CA  1 
ATOM   502  C C   . THR A 1 66  ? 1.37234  -21.02073 -5.73534  1.000 37.71410  ? 66  THR A C   1 
ATOM   503  O O   . THR A 1 66  ? 0.30598  -20.42041 -5.55892  1.000 42.02613  ? 66  THR A O   1 
ATOM   504  C CB  . THR A 1 66  ? 0.41616  -23.21146 -5.07512  1.000 47.64451  ? 66  THR A CB  1 
ATOM   505  O OG1 . THR A 1 66  ? 0.69706  -22.81819 -3.71811  1.000 44.13425  ? 66  THR A OG1 1 
ATOM   506  C CG2 . THR A 1 66  ? 0.55966  -24.71909 -5.24531  1.000 47.88674  ? 66  THR A CG2 1 
ATOM   507  N N   . ASP A 1 67  ? 2.56489  -20.43422 -5.67120  1.000 40.38489  ? 67  ASP A N   1 
ATOM   508  C CA  . ASP A 1 67  ? 2.74609  -19.04845 -5.26198  1.000 46.21087  ? 67  ASP A CA  1 
ATOM   509  C C   . ASP A 1 67  ? 2.13678  -18.79148 -3.88475  1.000 46.74069  ? 67  ASP A C   1 
ATOM   510  O O   . ASP A 1 67  ? 1.53756  -17.74298 -3.62876  1.000 45.63748  ? 67  ASP A O   1 
ATOM   511  C CB  . ASP A 1 67  ? 2.18300  -18.08229 -6.29982  1.000 41.84159  ? 67  ASP A CB  1 
ATOM   512  C CG  . ASP A 1 67  ? 2.63131  -16.66104 -6.05241  1.000 55.75273  ? 67  ASP A CG  1 
ATOM   513  O OD1 . ASP A 1 67  ? 3.79366  -16.47243 -5.60431  1.000 53.20078  ? 67  ASP A OD1 1 
ATOM   514  O OD2 . ASP A 1 67  ? 1.82169  -15.74214 -6.30531  1.000 58.87907  ? 67  ASP A OD2 1 
ATOM   515  N N   . THR A 1 68  ? 2.30755  -19.74888 -2.97990  1.000 44.79871  ? 68  THR A N   1 
ATOM   516  C CA  . THR A 1 68  ? 1.85253  -19.60606 -1.60707  1.000 45.82412  ? 68  THR A CA  1 
ATOM   517  C C   . THR A 1 68  ? 3.03817  -19.39332 -0.67085  1.000 42.02197  ? 68  THR A C   1 
ATOM   518  O O   . THR A 1 68  ? 4.06772  -20.06873 -0.78059  1.000 39.87603  ? 68  THR A O   1 
ATOM   519  C CB  . THR A 1 68  ? 1.03702  -20.82283 -1.16447  1.000 44.35901  ? 68  THR A CB  1 
ATOM   520  O OG1 . THR A 1 68  ? -0.08201 -20.98400 -2.05057  1.000 48.09479  ? 68  THR A OG1 1 
ATOM   521  C CG2 . THR A 1 68  ? 0.53604  -20.62916 0.28785   1.000 45.14043  ? 68  THR A CG2 1 
ATOM   522  N N   . ASN A 1 69  ? 2.87831  -18.43416 0.23891   1.000 42.57018  ? 69  ASN A N   1 
ATOM   523  C CA  . ASN A 1 69  ? 3.86703  -18.14597 1.26791   1.000 40.67038  ? 69  ASN A CA  1 
ATOM   524  C C   . ASN A 1 69  ? 4.31494  -19.41470 1.99618   1.000 38.57365  ? 69  ASN A C   1 
ATOM   525  O O   . ASN A 1 69  ? 3.48593  -20.23503 2.39939   1.000 43.95938  ? 69  ASN A O   1 
ATOM   526  C CB  . ASN A 1 69  ? 3.25796  -17.14963 2.25615   1.000 41.12989  ? 69  ASN A CB  1 
ATOM   527  C CG  . ASN A 1 69  ? 4.15284  -16.87359 3.41896   1.000 43.28894  ? 69  ASN A CG  1 
ATOM   528  O OD1 . ASN A 1 69  ? 5.34668  -16.61232 3.24478   1.000 43.61694  ? 69  ASN A OD1 1 
ATOM   529  N ND2 . ASN A 1 69  ? 3.58800  -16.89971 4.61883   1.000 42.43050  ? 69  ASN A ND2 1 
ATOM   530  N N   . LEU A 1 70  ? 5.63199  -19.58332 2.15552   1.000 40.30534  ? 70  LEU A N   1 
ATOM   531  C CA  . LEU A 1 70  ? 6.15822  -20.58415 3.08267   1.000 38.90017  ? 70  LEU A CA  1 
ATOM   532  C C   . LEU A 1 70  ? 6.60693  -19.98912 4.42100   1.000 40.15861  ? 70  LEU A C   1 
ATOM   533  O O   . LEU A 1 70  ? 6.96232  -20.74363 5.33498   1.000 39.92971  ? 70  LEU A O   1 
ATOM   534  C CB  . LEU A 1 70  ? 7.31157  -21.36056 2.42762   1.000 35.06601  ? 70  LEU A CB  1 
ATOM   535  C CG  . LEU A 1 70  ? 6.84072  -22.09575 1.15749   1.000 39.07190  ? 70  LEU A CG  1 
ATOM   536  C CD1 . LEU A 1 70  ? 8.00864  -22.48721 0.28337   1.000 36.58459  ? 70  LEU A CD1 1 
ATOM   537  C CD2 . LEU A 1 70  ? 5.98171  -23.30995 1.49593   1.000 37.17553  ? 70  LEU A CD2 1 
ATOM   538  N N   . GLU A 1 71  ? 6.58854  -18.66141 4.57163   1.000 41.28852  ? 71  GLU A N   1 
ATOM   539  C CA  . GLU A 1 71  ? 6.93142  -17.95006 5.80514   1.000 36.05625  ? 71  GLU A CA  1 
ATOM   540  C C   . GLU A 1 71  ? 8.40472  -18.04206 6.19580   1.000 40.32468  ? 71  GLU A C   1 
ATOM   541  O O   . GLU A 1 71  ? 8.76468  -17.61675 7.29892   1.000 38.44063  ? 71  GLU A O   1 
ATOM   542  C CB  . GLU A 1 71  ? 6.08822  -18.43931 6.98850   1.000 36.20229  ? 71  GLU A CB  1 
ATOM   543  C CG  . GLU A 1 71  ? 5.90792  -17.42167 8.17174   1.000 40.15242  ? 71  GLU A CG  1 
ATOM   544  C CD  . GLU A 1 71  ? 5.77081  -15.96483 7.71764   1.000 47.84348  ? 71  GLU A CD  1 
ATOM   545  O OE1 . GLU A 1 71  ? 5.29597  -15.73403 6.57936   1.000 39.90968  ? 71  GLU A OE1 1 
ATOM   546  O OE2 . GLU A 1 71  ? 6.10834  -15.05142 8.50992   1.000 42.45142  ? 71  GLU A OE2 1 
ATOM   547  N N   . ILE A 1 72  ? 9.26357  -18.60015 5.34296   1.000 36.24184  ? 72  ILE A N   1 
ATOM   548  C CA  . ILE A 1 72  ? 10.71189 -18.62776 5.56071   1.000 38.63982  ? 72  ILE A CA  1 
ATOM   549  C C   . ILE A 1 72  ? 11.34357 -17.58656 4.65288   1.000 43.37401  ? 72  ILE A C   1 
ATOM   550  O O   . ILE A 1 72  ? 11.09510 -17.59757 3.43911   1.000 38.22031  ? 72  ILE A O   1 
ATOM   551  C CB  . ILE A 1 72  ? 11.32661 -20.00083 5.22321   1.000 41.02126  ? 72  ILE A CB  1 
ATOM   552  C CG1 . ILE A 1 72  ? 10.80169 -21.13972 6.07627   1.000 42.67681  ? 72  ILE A CG1 1 
ATOM   553  C CG2 . ILE A 1 72  ? 12.83027 -19.94019 5.43258   1.000 43.85821  ? 72  ILE A CG2 1 
ATOM   554  C CD1 . ILE A 1 72  ? 11.59215 -21.30647 7.34797   1.000 46.16562  ? 72  ILE A CD1 1 
ATOM   555  N N   . THR A 1 73  ? 12.21680 -16.73618 5.20221   1.000 34.02627  ? 73  THR A N   1 
ATOM   556  C CA  . THR A 1 73  ? 13.12385 -15.91798 4.40213   1.000 32.24064  ? 73  THR A CA  1 
ATOM   557  C C   . THR A 1 73  ? 14.56880 -16.34080 4.66302   1.000 38.77335  ? 73  THR A C   1 
ATOM   558  O O   . THR A 1 73  ? 14.97919 -16.51133 5.81498   1.000 37.85001  ? 73  THR A O   1 
ATOM   559  C CB  . THR A 1 73  ? 12.95958 -14.43050 4.70331   1.000 37.31096  ? 73  THR A CB  1 
ATOM   560  O OG1 . THR A 1 73  ? 11.71809 -13.97055 4.16006   1.000 38.83842  ? 73  THR A OG1 1 
ATOM   561  C CG2 . THR A 1 73  ? 14.10235 -13.64321 4.08982   1.000 39.91018  ? 73  THR A CG2 1 
ATOM   562  N N   . ILE A 1 74  ? 15.31407 -16.57134 3.58812   1.000 34.08719  ? 74  ILE A N   1 
ATOM   563  C CA  . ILE A 1 74  ? 16.73461 -16.88727 3.67007   1.000 34.06092  ? 74  ILE A CA  1 
ATOM   564  C C   . ILE A 1 74  ? 17.50705 -15.60013 3.44093   1.000 42.69454  ? 74  ILE A C   1 
ATOM   565  O O   . ILE A 1 74  ? 17.21916 -14.86042 2.49206   1.000 41.40757  ? 74  ILE A O   1 
ATOM   566  C CB  . ILE A 1 74  ? 17.13683 -17.94548 2.62887   1.000 41.36116  ? 74  ILE A CB  1 
ATOM   567  C CG1 . ILE A 1 74  ? 16.29488 -19.20945 2.77198   1.000 36.63019  ? 74  ILE A CG1 1 
ATOM   568  C CG2 . ILE A 1 74  ? 18.62839 -18.25142 2.70531   1.000 39.22143  ? 74  ILE A CG2 1 
ATOM   569  C CD1 . ILE A 1 74  ? 16.60779 -20.26536 1.69089   1.000 38.96713  ? 74  ILE A CD1 1 
ATOM   570  N N   . VAL A 1 75  ? 18.49463 -15.32934 4.28124   1.000 37.33961  ? 75  VAL A N   1 
ATOM   571  C CA  . VAL A 1 75  ? 19.25840 -14.10207 4.13663   1.000 35.33695  ? 75  VAL A CA  1 
ATOM   572  C C   . VAL A 1 75  ? 20.73140 -14.46059 4.03189   1.000 41.54908  ? 75  VAL A C   1 
ATOM   573  O O   . VAL A 1 75  ? 21.18202 -15.49323 4.54229   1.000 44.55158  ? 75  VAL A O   1 
ATOM   574  C CB  . VAL A 1 75  ? 19.01395 -13.10942 5.29780   1.000 42.13223  ? 75  VAL A CB  1 
ATOM   575  C CG1 . VAL A 1 75  ? 17.52959 -12.83510 5.47935   1.000 41.36141  ? 75  VAL A CG1 1 
ATOM   576  C CG2 . VAL A 1 75  ? 19.57572 -13.67532 6.56865   1.000 38.23594  ? 75  VAL A CG2 1 
ATOM   577  N N   . LYS A 1 76  ? 21.46900 -13.61248 3.32614   1.000 37.01198  ? 76  LYS A N   1 
ATOM   578  C CA  . LYS A 1 76  ? 22.91830 -13.65382 3.23458   1.000 35.88644  ? 76  LYS A CA  1 
ATOM   579  C C   . LYS A 1 76  ? 23.42137 -12.36965 3.87749   1.000 41.70448  ? 76  LYS A C   1 
ATOM   580  O O   . LYS A 1 76  ? 22.96419 -11.28006 3.51411   1.000 42.53649  ? 76  LYS A O   1 
ATOM   581  C CB  . LYS A 1 76  ? 23.36600 -13.75876 1.76952   1.000 39.66954  ? 76  LYS A CB  1 
ATOM   582  C CG  . LYS A 1 76  ? 24.89330 -13.84736 1.54826   1.000 40.08894  ? 76  LYS A CG  1 
ATOM   583  C CD  . LYS A 1 76  ? 25.23405 -13.85600 0.03429   1.000 44.83724  ? 76  LYS A CD  1 
ATOM   584  C CE  . LYS A 1 76  ? 26.62700 -14.43318 -0.24418  1.000 47.32002  ? 76  LYS A CE  1 
ATOM   585  N NZ  . LYS A 1 76  ? 26.84213 -14.74923 -1.72476  1.000 42.54300  ? 76  LYS A NZ  1 
ATOM   586  N N   . LEU A 1 77  ? 24.33025 -12.49285 4.84357   1.000 40.72094  ? 77  LEU A N   1 
ATOM   587  C CA  . LEU A 1 77  ? 24.71848 -11.38069 5.70423   1.000 36.99038  ? 77  LEU A CA  1 
ATOM   588  C C   . LEU A 1 77  ? 26.16665 -10.98457 5.44324   1.000 39.71425  ? 77  LEU A C   1 
ATOM   589  O O   . LEU A 1 77  ? 27.01378 -11.84385 5.18866   1.000 41.31461  ? 77  LEU A O   1 
ATOM   590  C CB  . LEU A 1 77  ? 24.55691 -11.75039 7.19184   1.000 34.86598  ? 77  LEU A CB  1 
ATOM   591  C CG  . LEU A 1 77  ? 23.16113 -12.15074 7.67007   1.000 35.97878  ? 77  LEU A CG  1 
ATOM   592  C CD1 . LEU A 1 77  ? 23.21098 -12.59053 9.12564   1.000 36.20391  ? 77  LEU A CD1 1 
ATOM   593  C CD2 . LEU A 1 77  ? 22.24549 -10.96538 7.52100   1.000 39.30103  ? 77  LEU A CD2 1 
ATOM   594  N N   . ASP A 1 78  ? 26.46705 -9.68552  5.55109   1.000 40.54882  ? 78  ASP A N   1 
ATOM   595  C CA  . ASP A 1 78  ? 27.85950 -9.22331  5.48362   1.000 41.82501  ? 78  ASP A CA  1 
ATOM   596  C C   . ASP A 1 78  ? 28.48775 -9.24296  6.88131   1.000 44.57883  ? 78  ASP A C   1 
ATOM   597  O O   . ASP A 1 78  ? 28.53058 -8.23145  7.58901   1.000 45.10410  ? 78  ASP A O   1 
ATOM   598  C CB  . ASP A 1 78  ? 27.93553 -7.84119  4.84902   1.000 39.23161  ? 78  ASP A CB  1 
ATOM   599  C CG  . ASP A 1 78  ? 29.37036 -7.38744  4.58510   1.000 45.32874  ? 78  ASP A CG  1 
ATOM   600  O OD1 . ASP A 1 78  ? 30.30579 -8.23610  4.64437   1.000 38.83046  ? 78  ASP A OD1 1 
ATOM   601  O OD2 . ASP A 1 78  ? 29.54728 -6.17488  4.29533   1.000 48.80062  ? 78  ASP A OD2 1 
ATOM   602  N N   . ARG A 1 79  ? 29.01326 -10.40475 7.27391   1.000 43.06006  ? 79  ARG A N   1 
ATOM   603  C CA  . ARG A 1 79  ? 29.68797 -10.58782 8.55462   1.000 44.15369  ? 79  ARG A CA  1 
ATOM   604  C C   . ARG A 1 79  ? 30.96994 -11.37303 8.35888   1.000 43.49797  ? 79  ARG A C   1 
ATOM   605  O O   . ARG A 1 79  ? 31.11476 -12.15482 7.41679   1.000 46.65090  ? 79  ARG A O   1 
ATOM   606  C CB  . ARG A 1 79  ? 28.86867 -11.36617 9.60436   1.000 42.23966  ? 79  ARG A CB  1 
ATOM   607  C CG  . ARG A 1 79  ? 27.39231 -11.29777 9.49847   1.000 50.43391  ? 79  ARG A CG  1 
ATOM   608  C CD  . ARG A 1 79  ? 26.72468 -12.17582 10.55433  1.000 44.65004  ? 79  ARG A CD  1 
ATOM   609  N NE  . ARG A 1 79  ? 26.92438 -11.80341 11.95544  1.000 44.98655  ? 79  ARG A NE  1 
ATOM   610  C CZ  . ARG A 1 79  ? 27.32314 -12.66133 12.88800  1.000 53.06461  ? 79  ARG A CZ  1 
ATOM   611  N NH1 . ARG A 1 79  ? 27.61738 -13.91836 12.58174  1.000 47.94524  ? 79  ARG A NH1 1 
ATOM   612  N NH2 . ARG A 1 79  ? 27.41104 -12.25766 14.15598  1.000 51.28576  ? 79  ARG A NH2 1 
ATOM   613  N N   . ASN A 1 80  ? 31.85408 -11.23081 9.33691   1.000 47.63461  ? 80  ASN A N   1 
ATOM   614  C CA  . ASN A 1 80  ? 33.12439 -11.92927 9.27479   1.000 47.12631  ? 80  ASN A CA  1 
ATOM   615  C C   . ASN A 1 80  ? 32.99659 -13.38840 9.70561   1.000 46.84915  ? 80  ASN A C   1 
ATOM   616  O O   . ASN A 1 80  ? 33.61820 -14.26724 9.09826   1.000 55.42165  ? 80  ASN A O   1 
ATOM   617  C CB  . ASN A 1 80  ? 34.15871 -11.20946 10.13240  1.000 50.21046  ? 80  ASN A CB  1 
ATOM   618  C CG  . ASN A 1 80  ? 35.52378 -11.82350 9.99974   1.000 49.35205  ? 80  ASN A CG  1 
ATOM   619  O OD1 . ASN A 1 80  ? 35.97813 -12.08835 8.88415   1.000 52.99881  ? 80  ASN A OD1 1 
ATOM   620  N ND2 . ASN A 1 80  ? 36.19668 -12.04735 11.12413  1.000 59.92300  ? 80  ASN A ND2 1 
ATOM   621  N N   . GLN A 1 81  ? 32.21407 -13.66678 10.74857  1.000 53.72293  ? 81  GLN A N   1 
ATOM   622  C CA  . GLN A 1 81  ? 32.07991 -15.03131 11.24737  1.000 53.93552  ? 81  GLN A CA  1 
ATOM   623  C C   . GLN A 1 81  ? 31.32649 -15.88249 10.23772  1.000 55.63125  ? 81  GLN A C   1 
ATOM   624  O O   . GLN A 1 81  ? 30.32189 -15.44595 9.66948   1.000 50.82604  ? 81  GLN A O   1 
ATOM   625  C CB  . GLN A 1 81  ? 31.32871 -15.04600 12.58237  1.000 57.71657  ? 81  GLN A CB  1 
ATOM   626  C CG  . GLN A 1 81  ? 31.92944 -14.10888 13.63594  1.000 64.37993  ? 81  GLN A CG  1 
ATOM   627  C CD  . GLN A 1 81  ? 31.17768 -12.76452 13.71425  1.000 68.65049  ? 81  GLN A CD  1 
ATOM   628  O OE1 . GLN A 1 81  ? 31.18226 -11.96291 12.75137  1.000 57.90114  ? 81  GLN A OE1 1 
ATOM   629  N NE2 . GLN A 1 81  ? 30.60279 -12.47769 14.89424  1.000 64.34231  ? 81  GLN A NE2 1 
ATOM   630  N N   . LYS A 1 82  ? 31.81078 -17.10074 10.01514  1.000 51.56301  ? 82  LYS A N   1 
ATOM   631  C CA  . LYS A 1 82  ? 31.05321 -18.13661 9.32973   1.000 49.95185  ? 82  LYS A CA  1 
ATOM   632  C C   . LYS A 1 82  ? 30.21397 -18.92151 10.33492  1.000 50.82270  ? 82  LYS A C   1 
ATOM   633  O O   . LYS A 1 82  ? 30.62992 -19.13718 11.47319  1.000 56.11240  ? 82  LYS A O   1 
ATOM   634  C CB  . LYS A 1 82  ? 32.00660 -19.08074 8.60325   1.000 50.91530  ? 82  LYS A CB  1 
ATOM   635  C CG  . LYS A 1 82  ? 32.25885 -18.68977 7.17905   1.000 53.33089  ? 82  LYS A CG  1 
ATOM   636  C CD  . LYS A 1 82  ? 32.63956 -19.88465 6.31691   1.000 58.76762  ? 82  LYS A CD  1 
ATOM   637  C CE  . LYS A 1 82  ? 34.10430 -20.25403 6.49193   1.000 66.50863  ? 82  LYS A CE  1 
ATOM   638  N NZ  . LYS A 1 82  ? 34.80133 -20.32314 5.16589   1.000 64.54748  ? 82  LYS A NZ  1 
ATOM   639  N N   . PHE A 1 83  ? 29.02303 -19.34649 9.91307   1.000 48.37179  ? 83  PHE A N   1 
ATOM   640  C CA  . PHE A 1 83  ? 28.23527 -20.26839 10.72375  1.000 42.59429  ? 83  PHE A CA  1 
ATOM   641  C C   . PHE A 1 83  ? 28.72525 -21.68550 10.49471  1.000 47.54407  ? 83  PHE A C   1 
ATOM   642  O O   . PHE A 1 83  ? 29.01963 -22.06404 9.35801   1.000 44.20339  ? 83  PHE A O   1 
ATOM   643  C CB  . PHE A 1 83  ? 26.75454 -20.23559 10.35059  1.000 44.67038  ? 83  PHE A CB  1 
ATOM   644  C CG  . PHE A 1 83  ? 26.07733 -18.93403 10.60035  1.000 46.48211  ? 83  PHE A CG  1 
ATOM   645  C CD1 . PHE A 1 83  ? 25.97170 -18.42218 11.87881  1.000 45.11655  ? 83  PHE A CD1 1 
ATOM   646  C CD2 . PHE A 1 83  ? 25.50353 -18.24076 9.55280   1.000 39.44655  ? 83  PHE A CD2 1 
ATOM   647  C CE1 . PHE A 1 83  ? 25.32913 -17.22796 12.10756  1.000 42.11935  ? 83  PHE A CE1 1 
ATOM   648  C CE2 . PHE A 1 83  ? 24.86550 -17.04116 9.77272   1.000 42.34099  ? 83  PHE A CE2 1 
ATOM   649  C CZ  . PHE A 1 83  ? 24.77462 -16.53685 11.06339  1.000 41.74147  ? 83  PHE A CZ  1 
ATOM   650  N N   . ARG A 1 84  ? 28.76426 -22.48246 11.56427  1.000 48.07700  ? 84  ARG A N   1 
ATOM   651  C CA  . ARG A 1 84  ? 28.94195 -23.92402 11.41887  1.000 45.31848  ? 84  ARG A CA  1 
ATOM   652  C C   . ARG A 1 84  ? 27.93766 -24.47392 10.40613  1.000 41.85281  ? 84  ARG A C   1 
ATOM   653  O O   . ARG A 1 84  ? 26.75089 -24.15009 10.46283  1.000 42.18241  ? 84  ARG A O   1 
ATOM   654  C CB  . ARG A 1 84  ? 28.76525 -24.63540 12.76980  1.000 38.90209  ? 84  ARG A CB  1 
ATOM   655  C CG  . ARG A 1 84  ? 28.97576 -26.15841 12.60500  1.000 47.18138  ? 84  ARG A CG  1 
ATOM   656  C CD  . ARG A 1 84  ? 28.61720 -27.05486 13.80305  1.000 53.98053  ? 84  ARG A CD  1 
ATOM   657  N NE  . ARG A 1 84  ? 27.53015 -26.55702 14.63797  1.000 61.20461  ? 84  ARG A NE  1 
ATOM   658  C CZ  . ARG A 1 84  ? 26.82771 -27.30474 15.48165  1.000 62.20686  ? 84  ARG A CZ  1 
ATOM   659  N NH1 . ARG A 1 84  ? 27.02873 -28.61309 15.58215  1.000 60.24916  ? 84  ARG A NH1 1 
ATOM   660  N NH2 . ARG A 1 84  ? 25.90586 -26.72425 16.24911  1.000 55.79202  ? 84  ARG A NH2 1 
ATOM   661  N N   . ASP A 1 85  ? 28.40491 -25.29278 9.46564   1.000 43.50739  ? 85  ASP A N   1 
ATOM   662  C CA  . ASP A 1 85  ? 27.49408 -25.82567 8.44903   1.000 45.05600  ? 85  ASP A CA  1 
ATOM   663  C C   . ASP A 1 85  ? 26.63150 -26.91794 9.07402   1.000 38.97686  ? 85  ASP A C   1 
ATOM   664  O O   . ASP A 1 85  ? 27.12817 -28.00533 9.37544   1.000 41.04602  ? 85  ASP A O   1 
ATOM   665  C CB  . ASP A 1 85  ? 28.26417 -26.35400 7.24353   1.000 39.27827  ? 85  ASP A CB  1 
ATOM   666  C CG  . ASP A 1 85  ? 27.35798 -26.79632 6.10426   1.000 42.55648  ? 85  ASP A CG  1 
ATOM   667  O OD1 . ASP A 1 85  ? 26.11619 -26.78405 6.26010   1.000 40.39191  ? 85  ASP A OD1 1 
ATOM   668  O OD2 . ASP A 1 85  ? 27.89820 -27.12748 5.02294   1.000 51.00964  ? 85  ASP A OD2 1 
ATOM   669  N N   . ILE A 1 86  ? 25.34029 -26.64332 9.24648   1.000 40.53557  ? 86  ILE A N   1 
ATOM   670  C CA  . ILE A 1 86  ? 24.41732 -27.59615 9.85573   1.000 43.51525  ? 86  ILE A CA  1 
ATOM   671  C C   . ILE A 1 86  ? 23.45852 -28.18927 8.82931   1.000 44.25312  ? 86  ILE A C   1 
ATOM   672  O O   . ILE A 1 86  ? 22.45320 -28.80855 9.20294   1.000 36.73940  ? 86  ILE A O   1 
ATOM   673  C CB  . ILE A 1 86  ? 23.64611 -26.95901 11.02300  1.000 38.96249  ? 86  ILE A CB  1 
ATOM   674  C CG1 . ILE A 1 86  ? 22.98054 -25.65847 10.56355  1.000 38.06649  ? 86  ILE A CG1 1 
ATOM   675  C CG2 . ILE A 1 86  ? 24.57850 -26.71740 12.21379  1.000 40.47060  ? 86  ILE A CG2 1 
ATOM   676  C CD1 . ILE A 1 86  ? 21.87568 -25.18584 11.48438  1.000 41.10929  ? 86  ILE A CD1 1 
ATOM   677  N N   . ARG A 1 87  ? 23.74262 -28.02353 7.54095   1.000 41.23191  ? 87  ARG A N   1 
ATOM   678  C CA  . ARG A 1 87  ? 22.81304 -28.51979 6.53473   1.000 37.27526  ? 87  ARG A CA  1 
ATOM   679  C C   . ARG A 1 87  ? 22.58221 -30.01445 6.69847   1.000 33.58466  ? 87  ARG A C   1 
ATOM   680  O O   . ARG A 1 87  ? 21.47502 -30.50808 6.46573   1.000 42.01271  ? 87  ARG A O   1 
ATOM   681  C CB  . ARG A 1 87  ? 23.33002 -28.18377 5.13703   1.000 38.66407  ? 87  ARG A CB  1 
ATOM   682  C CG  . ARG A 1 87  ? 23.14240 -26.71091 4.79897   1.000 35.78964  ? 87  ARG A CG  1 
ATOM   683  C CD  . ARG A 1 87  ? 23.70741 -26.37369 3.40990   1.000 40.83941  ? 87  ARG A CD  1 
ATOM   684  N NE  . ARG A 1 87  ? 25.15805 -26.26015 3.44098   1.000 39.11780  ? 87  ARG A NE  1 
ATOM   685  C CZ  . ARG A 1 87  ? 25.85995 -25.71292 2.46338   1.000 48.08243  ? 87  ARG A CZ  1 
ATOM   686  N NH1 . ARG A 1 87  ? 25.26867 -25.21907 1.38967   1.000 40.49322  ? 87  ARG A NH1 1 
ATOM   687  N NH2 . ARG A 1 87  ? 27.18497 -25.69812 2.54374   1.000 42.39739  ? 87  ARG A NH2 1 
ATOM   688  N N   . HIS A 1 88  ? 23.61362 -30.75846 7.08386   1.000 40.73400  ? 88  HIS A N   1 
ATOM   689  C CA  . HIS A 1 88  ? 23.38699 -32.18606 7.22764   1.000 46.21025  ? 88  HIS A CA  1 
ATOM   690  C C   . HIS A 1 88  ? 22.41830 -32.50651 8.36284   1.000 45.44146  ? 88  HIS A C   1 
ATOM   691  O O   . HIS A 1 88  ? 21.92442 -33.63699 8.43298   1.000 42.93226  ? 88  HIS A O   1 
ATOM   692  C CB  . HIS A 1 88  ? 24.72485 -32.91285 7.40359   1.000 44.34234  ? 88  HIS A CB  1 
ATOM   693  C CG  . HIS A 1 88  ? 25.39267 -32.66611 8.72395   1.000 53.50824  ? 88  HIS A CG  1 
ATOM   694  N ND1 . HIS A 1 88  ? 26.18623 -31.56457 8.96767   1.000 58.88583  ? 88  HIS A ND1 1 
ATOM   695  C CD2 . HIS A 1 88  ? 25.43870 -33.41531 9.85046   1.000 54.98795  ? 88  HIS A CD2 1 
ATOM   696  C CE1 . HIS A 1 88  ? 26.65069 -31.62146 10.20184  1.000 53.07540  ? 88  HIS A CE1 1 
ATOM   697  N NE2 . HIS A 1 88  ? 26.22035 -32.74182 10.75695  1.000 51.40102  ? 88  HIS A NE2 1 
ATOM   698  N N   . PHE A 1 89  ? 22.08980 -31.54574 9.22482   1.000 37.89058  ? 89  PHE A N   1 
ATOM   699  C CA  . PHE A 1 89  ? 21.05176 -31.79576 10.21433  1.000 43.13023  ? 89  PHE A CA  1 
ATOM   700  C C   . PHE A 1 89  ? 19.66274 -31.47649 9.68989   1.000 42.31794  ? 89  PHE A C   1 
ATOM   701  O O   . PHE A 1 89  ? 18.69053 -31.64363 10.43069  1.000 36.69712  ? 89  PHE A O   1 
ATOM   702  C CB  . PHE A 1 89  ? 21.31587 -31.00608 11.49803  1.000 38.71779  ? 89  PHE A CB  1 
ATOM   703  C CG  . PHE A 1 89  ? 22.50836 -31.48273 12.24739  1.000 42.26224  ? 89  PHE A CG  1 
ATOM   704  C CD1 . PHE A 1 89  ? 22.61788 -32.81059 12.62034  1.000 47.86108  ? 89  PHE A CD1 1 
ATOM   705  C CD2 . PHE A 1 89  ? 23.53388 -30.61496 12.56518  1.000 45.16327  ? 89  PHE A CD2 1 
ATOM   706  C CE1 . PHE A 1 89  ? 23.72965 -33.26113 13.32493  1.000 48.26266  ? 89  PHE A CE1 1 
ATOM   707  C CE2 . PHE A 1 89  ? 24.63960 -31.05657 13.27032  1.000 49.71091  ? 89  PHE A CE2 1 
ATOM   708  C CZ  . PHE A 1 89  ? 24.74655 -32.38751 13.63264  1.000 43.89095  ? 89  PHE A CZ  1 
ATOM   709  N N   . LEU A 1 90  ? 19.53545 -31.03203 8.36326   1.000 38.32604  ? 90  LEU A N   1 
ATOM   710  C CA  . LEU A 1 90  ? 18.17458 -30.71079 7.95681   1.000 38.00184  ? 90  LEU A CA  1 
ATOM   711  C C   . LEU A 1 90  ? 17.48136 -31.93089 7.35774   1.000 37.93901  ? 90  LEU A C   1 
ATOM   712  O O   . LEU A 1 90  ? 18.12143 -32.75517 6.69498   1.000 45.04968  ? 90  LEU A O   1 
ATOM   713  C CB  . LEU A 1 90  ? 18.17254 -29.57586 6.93595   1.000 39.81900  ? 90  LEU A CB  1 
ATOM   714  C CG  . LEU A 1 90  ? 18.92369 -28.31058 7.34245   1.000 38.42725  ? 90  LEU A CG  1 
ATOM   715  C CD1 . LEU A 1 90  ? 19.20868 -27.39958 6.13804   1.000 34.00580  ? 90  LEU A CD1 1 
ATOM   716  C CD2 . LEU A 1 90  ? 18.16331 -27.54234 8.42360   1.000 36.08973  ? 90  LEU A CD2 1 
ATOM   717  N N   . PRO A 1 91  ? 16.17546 -32.05739 7.59255   1.000 37.79287  ? 91  PRO A N   1 
ATOM   718  C CA  . PRO A 1 91  ? 15.40944 -33.16859 7.00679   1.000 39.11450  ? 91  PRO A CA  1 
ATOM   719  C C   . PRO A 1 91  ? 15.36842 -33.11431 5.49306   1.000 39.92353  ? 91  PRO A C   1 
ATOM   720  O O   . PRO A 1 91  ? 15.16502 -32.06227 4.88120   1.000 36.83020  ? 91  PRO A O   1 
ATOM   721  C CB  . PRO A 1 91  ? 14.00318 -32.96997 7.58022   1.000 32.63051  ? 91  PRO A CB  1 
ATOM   722  C CG  . PRO A 1 91  ? 14.16706 -32.01498 8.69459   1.000 44.37196  ? 91  PRO A CG  1 
ATOM   723  C CD  . PRO A 1 91  ? 15.31924 -31.15173 8.36346   1.000 39.29878  ? 91  PRO A CD  1 
ATOM   724  N N   . ARG A 1 92  ? 15.48539 -34.28519 4.88057   1.000 38.20547  ? 92  ARG A N   1 
ATOM   725  C CA  . ARG A 1 92  ? 15.34603 -34.36998 3.44032   1.000 39.83832  ? 92  ARG A CA  1 
ATOM   726  C C   . ARG A 1 92  ? 13.90423 -34.09551 2.99844   1.000 37.60853  ? 92  ARG A C   1 
ATOM   727  O O   . ARG A 1 92  ? 13.67531 -33.31265 2.07120   1.000 44.76252  ? 92  ARG A O   1 
ATOM   728  C CB  . ARG A 1 92  ? 15.82381 -35.74072 2.98135   1.000 39.82938  ? 92  ARG A CB  1 
ATOM   729  C CG  . ARG A 1 92  ? 15.72848 -35.94548 1.48708   1.000 53.34142  ? 92  ARG A CG  1 
ATOM   730  C CD  . ARG A 1 92  ? 16.43641 -37.20963 1.08198   1.000 57.70841  ? 92  ARG A CD  1 
ATOM   731  N NE  . ARG A 1 92  ? 17.78702 -36.94478 0.60852   1.000 70.62921  ? 92  ARG A NE  1 
ATOM   732  C CZ  . ARG A 1 92  ? 18.60386 -37.88418 0.15748   1.000 87.62220  ? 92  ARG A CZ  1 
ATOM   733  N NH1 . ARG A 1 92  ? 18.23255 -39.15510 0.11483   1.000 87.34688  ? 92  ARG A NH1 1 
ATOM   734  N NH2 . ARG A 1 92  ? 19.81144 -37.53917 -0.28265  1.000 96.65866  ? 92  ARG A NH2 1 
ATOM   735  N N   . TYR A 1 93  ? 12.91827 -34.65321 3.71029   1.000 41.60473  ? 93  TYR A N   1 
ATOM   736  C CA  . TYR A 1 93  ? 11.51421 -34.66096 3.29418   1.000 35.20178  ? 93  TYR A CA  1 
ATOM   737  C C   . TYR A 1 93  ? 10.60865 -34.08442 4.38570   1.000 42.66533  ? 93  TYR A C   1 
ATOM   738  O O   . TYR A 1 93  ? 11.02387 -33.89996 5.52991   1.000 37.53505  ? 93  TYR A O   1 
ATOM   739  C CB  . TYR A 1 93  ? 11.06771 -36.09209 2.94270   1.000 41.81773  ? 93  TYR A CB  1 
ATOM   740  C CG  . TYR A 1 93  ? 11.81475 -36.68120 1.74690   1.000 44.86266  ? 93  TYR A CG  1 
ATOM   741  C CD1 . TYR A 1 93  ? 11.71676 -36.09147 0.47699   1.000 42.62053  ? 93  TYR A CD1 1 
ATOM   742  C CD2 . TYR A 1 93  ? 12.62876 -37.81063 1.88569   1.000 44.55376  ? 93  TYR A CD2 1 
ATOM   743  C CE1 . TYR A 1 93  ? 12.40165 -36.61448 -0.62834  1.000 41.64392  ? 93  TYR A CE1 1 
ATOM   744  C CE2 . TYR A 1 93  ? 13.33270 -38.33874 0.78870   1.000 42.79752  ? 93  TYR A CE2 1 
ATOM   745  C CZ  . TYR A 1 93  ? 13.20424 -37.73748 -0.46282  1.000 48.34224  ? 93  TYR A CZ  1 
ATOM   746  O OH  . TYR A 1 93  ? 13.87681 -38.26123 -1.53872  1.000 44.78635  ? 93  TYR A OH  1 
ATOM   747  N N   . GLU A 1 94  ? 9.35533  -33.80046 4.02460   1.000 36.47770  ? 94  GLU A N   1 
ATOM   748  C CA  . GLU A 1 94  ? 8.34305  -33.52462 5.04308   1.000 40.80772  ? 94  GLU A CA  1 
ATOM   749  C C   . GLU A 1 94  ? 8.18296  -34.73178 5.97207   1.000 42.75534  ? 94  GLU A C   1 
ATOM   750  O O   . GLU A 1 94  ? 8.36319  -35.88141 5.56252   1.000 41.85428  ? 94  GLU A O   1 
ATOM   751  C CB  . GLU A 1 94  ? 7.00412  -33.19347 4.38532   1.000 38.69393  ? 94  GLU A CB  1 
ATOM   752  C CG  . GLU A 1 94  ? 7.03879  -32.06299 3.34486   1.000 46.92134  ? 94  GLU A CG  1 
ATOM   753  C CD  . GLU A 1 94  ? 5.63856  -31.72187 2.83984   1.000 45.41648  ? 94  GLU A CD  1 
ATOM   754  O OE1 . GLU A 1 94  ? 4.74701  -32.57362 3.03893   1.000 45.16473  ? 94  GLU A OE1 1 
ATOM   755  O OE2 . GLU A 1 94  ? 5.41187  -30.62240 2.26784   1.000 45.56637  ? 94  GLU A OE2 1 
ATOM   756  N N   . ASP A 1 95  ? 7.84019  -34.48781 7.23974   1.000 39.54170  ? 95  ASP A N   1 
ATOM   757  C CA  . ASP A 1 95  ? 7.72084  -35.60766 8.17354   1.000 39.19872  ? 95  ASP A CA  1 
ATOM   758  C C   . ASP A 1 95  ? 6.97515  -35.16286 9.42562   1.000 44.66655  ? 95  ASP A C   1 
ATOM   759  O O   . ASP A 1 95  ? 6.75771  -33.96996 9.65074   1.000 38.69383  ? 95  ASP A O   1 
ATOM   760  C CB  . ASP A 1 95  ? 9.10135  -36.18004 8.54693   1.000 44.54941  ? 95  ASP A CB  1 
ATOM   761  C CG  . ASP A 1 95  ? 9.05735  -37.67311 8.93084   1.000 48.96012  ? 95  ASP A CG  1 
ATOM   762  O OD1 . ASP A 1 95  ? 7.95610  -38.24839 9.05960   1.000 46.12837  ? 95  ASP A OD1 1 
ATOM   763  O OD2 . ASP A 1 95  ? 10.13753 -38.27801 9.10697   1.000 50.29848  ? 95  ASP A OD2 1 
ATOM   764  N N   . ASP A 1 96  ? 6.55890  -36.14296 10.22613  1.000 42.42996  ? 96  ASP A N   1 
ATOM   765  C CA  . ASP A 1 96  ? 6.13076  -35.88956 11.59494  1.000 44.53126  ? 96  ASP A CA  1 
ATOM   766  C C   . ASP A 1 96  ? 7.24804  -36.31491 12.53154  1.000 48.03493  ? 96  ASP A C   1 
ATOM   767  O O   . ASP A 1 96  ? 8.10789  -37.12146 12.16143  1.000 44.17163  ? 96  ASP A O   1 
ATOM   768  C CB  . ASP A 1 96  ? 4.84868  -36.64577 11.95320  1.000 54.77244  ? 96  ASP A CB  1 
ATOM   769  C CG  . ASP A 1 96  ? 3.76588  -36.49363 10.91357  1.000 54.54680  ? 96  ASP A CG  1 
ATOM   770  O OD1 . ASP A 1 96  ? 3.12052  -35.43257 10.90364  1.000 65.74225  ? 96  ASP A OD1 1 
ATOM   771  O OD2 . ASP A 1 96  ? 3.54647  -37.42551 10.11342  1.000 77.38961  ? 96  ASP A OD2 1 
ATOM   772  N N   . TYR A 1 97  ? 7.20474  -35.79222 13.76104  1.000 43.82971  ? 97  TYR A N   1 
ATOM   773  C CA  . TYR A 1 97  ? 8.31438  -35.92112 14.69546  1.000 42.71549  ? 97  TYR A CA  1 
ATOM   774  C C   . TYR A 1 97  ? 7.78759  -36.09535 16.10510  1.000 45.64188  ? 97  TYR A C   1 
ATOM   775  O O   . TYR A 1 97  ? 6.70501  -35.61159 16.45252  1.000 43.48128  ? 97  TYR A O   1 
ATOM   776  C CB  . TYR A 1 97  ? 9.25339  -34.69699 14.67115  1.000 39.85971  ? 97  TYR A CB  1 
ATOM   777  C CG  . TYR A 1 97  ? 9.91787  -34.51725 13.34548  1.000 43.01156  ? 97  TYR A CG  1 
ATOM   778  C CD1 . TYR A 1 97  ? 11.11161 -35.15816 13.06175  1.000 42.51641  ? 97  TYR A CD1 1 
ATOM   779  C CD2 . TYR A 1 97  ? 9.31533  -33.76454 12.34289  1.000 42.63620  ? 97  TYR A CD2 1 
ATOM   780  C CE1 . TYR A 1 97  ? 11.71114 -35.02868 11.81765  1.000 39.89359  ? 97  TYR A CE1 1 
ATOM   781  C CE2 . TYR A 1 97  ? 9.91522  -33.61839 11.08866  1.000 38.55349  ? 97  TYR A CE2 1 
ATOM   782  C CZ  . TYR A 1 97  ? 11.11078 -34.25143 10.84239  1.000 41.43058  ? 97  TYR A CZ  1 
ATOM   783  O OH  . TYR A 1 97  ? 11.71041 -34.12841 9.60890   1.000 43.82261  ? 97  TYR A OH  1 
ATOM   784  N N   . ASN A 1 98  ? 8.60330  -36.74250 16.92881  1.000 45.67204  ? 98  ASN A N   1 
ATOM   785  C CA  . ASN A 1 98  ? 8.29525  -36.96909 18.32876  1.000 49.61068  ? 98  ASN A CA  1 
ATOM   786  C C   . ASN A 1 98  ? 9.09427  -36.04144 19.22876  1.000 51.11179  ? 98  ASN A C   1 
ATOM   787  O O   . ASN A 1 98  ? 10.27953 -35.79411 18.99372  1.000 52.33036  ? 98  ASN A O   1 
ATOM   788  C CB  . ASN A 1 98  ? 8.61015  -38.40452 18.73621  1.000 47.49032  ? 98  ASN A CB  1 
ATOM   789  C CG  . ASN A 1 98  ? 7.91856  -39.39798 17.87890  1.000 56.12043  ? 98  ASN A CG  1 
ATOM   790  O OD1 . ASN A 1 98  ? 6.69204  -39.37168 17.76760  1.000 60.27508  ? 98  ASN A OD1 1 
ATOM   791  N ND2 . ASN A 1 98  ? 8.69245  -40.28323 17.24042  1.000 57.02806  ? 98  ASN A ND2 1 
ATOM   792  N N   . ASP A 1 99  ? 8.44159  -35.55962 20.27854  1.000 51.21535  ? 99  ASP A N   1 
ATOM   793  C CA  . ASP A 1 99  ? 9.13646  -35.02658 21.43900  1.000 49.65841  ? 99  ASP A CA  1 
ATOM   794  C C   . ASP A 1 99  ? 10.18379 -33.97793 21.05251  1.000 51.97728  ? 99  ASP A C   1 
ATOM   795  O O   . ASP A 1 99  ? 11.37258 -34.08730 21.37234  1.000 46.28915  ? 99  ASP A O   1 
ATOM   796  C CB  . ASP A 1 99  ? 9.77236  -36.16483 22.22933  1.000 52.10116  ? 99  ASP A CB  1 
ATOM   797  C CG  . ASP A 1 99  ? 10.05359 -35.76618 23.65569  1.000 68.78981  ? 99  ASP A CG  1 
ATOM   798  O OD1 . ASP A 1 99  ? 9.11937  -35.26624 24.32344  1.000 66.53321  ? 99  ASP A OD1 1 
ATOM   799  O OD2 . ASP A 1 99  ? 11.20142 -35.93255 24.10764  1.000 74.81299  ? 99  ASP A OD2 1 
ATOM   800  N N   . ALA A 1 100 ? 9.72279  -32.94381 20.35566  1.000 45.64036  ? 100 ALA A N   1 
ATOM   801  C CA  . ALA A 1 100 ? 10.62882 -31.91396 19.87130  1.000 45.16177  ? 100 ALA A CA  1 
ATOM   802  C C   . ALA A 1 100 ? 10.86141 -30.83978 20.93197  1.000 39.78535  ? 100 ALA A C   1 
ATOM   803  O O   . ALA A 1 100 ? 10.10724 -30.70860 21.90057  1.000 42.69669  ? 100 ALA A O   1 
ATOM   804  C CB  . ALA A 1 100 ? 10.08741 -31.27040 18.59555  1.000 37.03054  ? 100 ALA A CB  1 
ATOM   805  N N   . VAL A 1 101 ? 11.92020 -30.05315 20.72040  1.000 37.88690  ? 101 VAL A N   1 
ATOM   806  C CA  . VAL A 1 101 ? 12.24890 -28.90481 21.55492  1.000 35.72545  ? 101 VAL A CA  1 
ATOM   807  C C   . VAL A 1 101 ? 12.16692 -27.63622 20.71049  1.000 40.68125  ? 101 VAL A C   1 
ATOM   808  O O   . VAL A 1 101 ? 12.58860 -27.62299 19.55286  1.000 43.23072  ? 101 VAL A O   1 
ATOM   809  C CB  . VAL A 1 101 ? 13.65132 -29.04736 22.18173  1.000 43.26442  ? 101 VAL A CB  1 
ATOM   810  C CG1 . VAL A 1 101 ? 14.04726 -27.77424 22.90951  1.000 37.04477  ? 101 VAL A CG1 1 
ATOM   811  C CG2 . VAL A 1 101 ? 13.68929 -30.25144 23.12868  1.000 42.57146  ? 101 VAL A CG2 1 
ATOM   812  N N   . LEU A 1 102 ? 11.58622 -26.58401 21.28730  1.000 36.95557  ? 102 LEU A N   1 
ATOM   813  C CA  . LEU A 1 102 ? 11.61002 -25.23696 20.72999  1.000 35.99471  ? 102 LEU A CA  1 
ATOM   814  C C   . LEU A 1 102 ? 12.57141 -24.39395 21.56793  1.000 42.59059  ? 102 LEU A C   1 
ATOM   815  O O   . LEU A 1 102 ? 12.42352 -24.31671 22.79265  1.000 40.90566  ? 102 LEU A O   1 
ATOM   816  C CB  . LEU A 1 102 ? 10.20766 -24.62726 20.73533  1.000 29.65080  ? 102 LEU A CB  1 
ATOM   817  C CG  . LEU A 1 102 ? 10.09352 -23.12603 20.47284  1.000 41.46794  ? 102 LEU A CG  1 
ATOM   818  C CD1 . LEU A 1 102 ? 10.41058 -22.84100 19.00258  1.000 38.11229  ? 102 LEU A CD1 1 
ATOM   819  C CD2 . LEU A 1 102 ? 8.69685  -22.63722 20.82008  1.000 36.52607  ? 102 LEU A CD2 1 
ATOM   820  N N   . SER A 1 103 ? 13.57148 -23.79480 20.91629  1.000 36.94287  ? 103 SER A N   1 
ATOM   821  C CA  . SER A 1 103 ? 14.57330 -22.98674 21.60251  1.000 37.74471  ? 103 SER A CA  1 
ATOM   822  C C   . SER A 1 103 ? 14.60406 -21.55635 21.08190  1.000 44.35435  ? 103 SER A C   1 
ATOM   823  O O   . SER A 1 103 ? 14.66201 -21.32191 19.87530  1.000 36.97347  ? 103 SER A O   1 
ATOM   824  C CB  . SER A 1 103 ? 15.95578 -23.58874 21.44320  1.000 42.70238  ? 103 SER A CB  1 
ATOM   825  O OG  . SER A 1 103 ? 15.86672 -24.99493 21.44072  1.000 53.43126  ? 103 SER A OG  1 
ATOM   826  N N   . VAL A 1 104 ? 14.66261 -20.60960 22.00966  1.000 34.05715  ? 104 VAL A N   1 
ATOM   827  C CA  . VAL A 1 104 ? 14.60352 -19.18801 21.71277  1.000 39.58249  ? 104 VAL A CA  1 
ATOM   828  C C   . VAL A 1 104 ? 15.91383 -18.53299 22.11925  1.000 44.20427  ? 104 VAL A C   1 
ATOM   829  O O   . VAL A 1 104 ? 16.54743 -18.91221 23.10864  1.000 46.48108  ? 104 VAL A O   1 
ATOM   830  C CB  . VAL A 1 104 ? 13.41894 -18.51921 22.43900  1.000 40.84781  ? 104 VAL A CB  1 
ATOM   831  C CG1 . VAL A 1 104 ? 13.39821 -17.01849 22.18372  1.000 42.91893  ? 104 VAL A CG1 1 
ATOM   832  C CG2 . VAL A 1 104 ? 12.13859 -19.14091 21.97832  1.000 39.21202  ? 104 VAL A CG2 1 
ATOM   833  N N   . HIS A 1 105 ? 16.29849 -17.51564 21.35132  1.000 45.10904  ? 105 HIS A N   1 
ATOM   834  C CA  . HIS A 1 105 ? 17.50135 -16.73607 21.63341  1.000 45.12346  ? 105 HIS A CA  1 
ATOM   835  C C   . HIS A 1 105 ? 17.22292 -15.28711 21.21055  1.000 48.82294  ? 105 HIS A C   1 
ATOM   836  O O   . HIS A 1 105 ? 17.31687 -14.92586 20.03037  1.000 37.57124  ? 105 HIS A O   1 
ATOM   837  C CB  . HIS A 1 105 ? 18.71000 -17.34709 20.93306  1.000 42.87456  ? 105 HIS A CB  1 
ATOM   838  C CG  . HIS A 1 105 ? 19.97696 -16.57606 21.12242  1.000 48.52296  ? 105 HIS A CG  1 
ATOM   839  N ND1 . HIS A 1 105 ? 21.12135 -16.83447 20.39755  1.000 51.98992  ? 105 HIS A ND1 1 
ATOM   840  C CD2 . HIS A 1 105 ? 20.26138 -15.50839 21.90313  1.000 46.18400  ? 105 HIS A CD2 1 
ATOM   841  C CE1 . HIS A 1 105 ? 22.06898 -15.98780 20.75832  1.000 51.50646  ? 105 HIS A CE1 1 
ATOM   842  N NE2 . HIS A 1 105 ? 21.57156 -15.16888 21.66752  1.000 47.29905  ? 105 HIS A NE2 1 
ATOM   843  N N   . THR A 1 106 ? 16.81880 -14.48261 22.19044  1.000 38.24095  ? 106 THR A N   1 
ATOM   844  C CA  . THR A 1 106 ? 16.49912 -13.07224 22.02975  1.000 41.87653  ? 106 THR A CA  1 
ATOM   845  C C   . THR A 1 106 ? 17.19731 -12.30215 23.13260  1.000 45.45850  ? 106 THR A C   1 
ATOM   846  O O   . THR A 1 106 ? 17.83263 -12.88618 24.01298  1.000 45.26080  ? 106 THR A O   1 
ATOM   847  C CB  . THR A 1 106 ? 14.99152 -12.80027 22.12165  1.000 45.64355  ? 106 THR A CB  1 
ATOM   848  O OG1 . THR A 1 106 ? 14.51683 -13.12845 23.44226  1.000 44.77832  ? 106 THR A OG1 1 
ATOM   849  C CG2 . THR A 1 106 ? 14.24400 -13.57857 21.08332  1.000 38.52312  ? 106 THR A CG2 1 
ATOM   850  N N   . SER A 1 107 ? 17.04977 -10.97612 23.10845  1.000 40.73506  ? 107 SER A N   1 
ATOM   851  C CA  . SER A 1 107 ? 17.53846 -10.17497 24.22413  1.000 46.18345  ? 107 SER A CA  1 
ATOM   852  C C   . SER A 1 107 ? 16.79878 -10.52290 25.51109  1.000 44.77817  ? 107 SER A C   1 
ATOM   853  O O   . SER A 1 107 ? 17.41567 -10.67263 26.57128  1.000 46.38099  ? 107 SER A O   1 
ATOM   854  C CB  . SER A 1 107 ? 17.39951 -8.68294  23.90986  1.000 45.78785  ? 107 SER A CB  1 
ATOM   855  O OG  . SER A 1 107 ? 18.29022 -8.29110  22.87887  1.000 48.04015  ? 107 SER A OG  1 
ATOM   856  N N   . LYS A 1 108 ? 15.47367 -10.64485 25.43236  1.000 44.29981  ? 108 LYS A N   1 
ATOM   857  C CA  . LYS A 1 108 ? 14.65614 -10.94232 26.60426  1.000 48.18662  ? 108 LYS A CA  1 
ATOM   858  C C   . LYS A 1 108 ? 14.90487 -12.36306 27.11263  1.000 52.39358  ? 108 LYS A C   1 
ATOM   859  O O   . LYS A 1 108 ? 14.92502 -12.60502 28.32671  1.000 42.19240  ? 108 LYS A O   1 
ATOM   860  C CB  . LYS A 1 108 ? 13.18576 -10.72529 26.23955  1.000 45.68806  ? 108 LYS A CB  1 
ATOM   861  C CG  . LYS A 1 108 ? 12.22136 -10.75453 27.41076  1.000 58.33485  ? 108 LYS A CG  1 
ATOM   862  C CD  . LYS A 1 108 ? 10.79996 -10.42364 26.96426  1.000 52.71273  ? 108 LYS A CD  1 
ATOM   863  N N   . PHE A 1 109 ? 15.11008 -13.30879 26.19257  1.000 43.20032  ? 109 PHE A N   1 
ATOM   864  C CA  . PHE A 1 109 ? 15.34823 -14.71296 26.52645  1.000 42.97248  ? 109 PHE A CA  1 
ATOM   865  C C   . PHE A 1 109 ? 16.60926 -15.19094 25.81361  1.000 43.69211  ? 109 PHE A C   1 
ATOM   866  O O   . PHE A 1 109 ? 16.54893 -15.72905 24.70068  1.000 47.60897  ? 109 PHE A O   1 
ATOM   867  C CB  . PHE A 1 109 ? 14.13819 -15.57155 26.16940  1.000 48.21840  ? 109 PHE A CB  1 
ATOM   868  C CG  . PHE A 1 109 ? 12.92108 -15.24942 26.99286  1.000 46.39358  ? 109 PHE A CG  1 
ATOM   869  C CD1 . PHE A 1 109 ? 11.89537 -14.49223 26.46826  1.000 52.07722  ? 109 PHE A CD1 1 
ATOM   870  C CD2 . PHE A 1 109 ? 12.82517 -15.67102 28.30545  1.000 56.02762  ? 109 PHE A CD2 1 
ATOM   871  C CE1 . PHE A 1 109 ? 10.77952 -14.17891 27.22632  1.000 54.97847  ? 109 PHE A CE1 1 
ATOM   872  C CE2 . PHE A 1 109 ? 11.71186 -15.36373 29.07163  1.000 54.91110  ? 109 PHE A CE2 1 
ATOM   873  C CZ  . PHE A 1 109 ? 10.68983 -14.60770 28.53279  1.000 53.18432  ? 109 PHE A CZ  1 
ATOM   874  N N   . PRO A 1 110 ? 17.77875 -14.98143 26.42653  1.000 50.48367  ? 110 PRO A N   1 
ATOM   875  C CA  . PRO A 1 110 ? 19.03359 -15.33302 25.73553  1.000 49.10713  ? 110 PRO A CA  1 
ATOM   876  C C   . PRO A 1 110 ? 19.18906 -16.81563 25.42586  1.000 50.98649  ? 110 PRO A C   1 
ATOM   877  O O   . PRO A 1 110 ? 19.77630 -17.15404 24.39475  1.000 61.92235  ? 110 PRO A O   1 
ATOM   878  C CB  . PRO A 1 110 ? 20.11452 -14.83521 26.70715  1.000 49.87320  ? 110 PRO A CB  1 
ATOM   879  C CG  . PRO A 1 110 ? 19.42581 -13.70613 27.46716  1.000 48.17503  ? 110 PRO A CG  1 
ATOM   880  C CD  . PRO A 1 110 ? 18.01663 -14.21048 27.66111  1.000 50.28533  ? 110 PRO A CD  1 
ATOM   881  N N   . ASN A 1 111 ? 18.74435 -17.71784 26.29607  1.000 50.39111  ? 111 ASN A N   1 
ATOM   882  C CA  . ASN A 1 111 ? 18.63981 -19.12080 25.91233  1.000 53.02104  ? 111 ASN A CA  1 
ATOM   883  C C   . ASN A 1 111 ? 17.55197 -19.73849 26.77901  1.000 52.66799  ? 111 ASN A C   1 
ATOM   884  O O   . ASN A 1 111 ? 17.54114 -19.56065 27.99711  1.000 52.14795  ? 111 ASN A O   1 
ATOM   885  C CB  . ASN A 1 111 ? 19.96237 -19.89868 26.05193  1.000 51.61194  ? 111 ASN A CB  1 
ATOM   886  C CG  . ASN A 1 111 ? 20.85438 -19.87144 24.75669  1.000 74.37939  ? 111 ASN A CG  1 
ATOM   887  O OD1 . ASN A 1 111 ? 20.37951 -19.86285 23.58721  1.000 63.28083  ? 111 ASN A OD1 1 
ATOM   888  N ND2 . ASN A 1 111 ? 22.17009 -19.87735 24.99205  1.000 82.09992  ? 111 ASN A ND2 1 
ATOM   889  N N   . MET A 1 112 ? 16.70084 -20.53441 26.13360  1.000 46.82953  ? 112 MET A N   1 
ATOM   890  C CA  . MET A 1 112 ? 15.30672 -20.80441 26.47541  1.000 46.13002  ? 112 MET A CA  1 
ATOM   891  C C   . MET A 1 112 ? 14.94759 -22.09809 25.78426  1.000 46.78766  ? 112 MET A C   1 
ATOM   892  O O   . MET A 1 112 ? 14.91768 -22.10300 24.55154  1.000 41.29826  ? 112 MET A O   1 
ATOM   893  C CB  . MET A 1 112 ? 14.43293 -19.73124 25.88190  1.000 60.83005  ? 112 MET A CB  1 
ATOM   894  C CG  . MET A 1 112 ? 12.96678 -19.97058 25.96828  1.000 54.21908  ? 112 MET A CG  1 
ATOM   895  S SD  . MET A 1 112 ? 12.41248 -19.37930 27.47934  1.000 72.11788  ? 112 MET A SD  1 
ATOM   896  C CE  . MET A 1 112 ? 11.13743 -18.31427 26.82766  1.000 55.27112  ? 112 MET A CE  1 
ATOM   897  N N   . TYR A 1 113 ? 14.61694 -23.15698 26.52192  1.000 38.85680  ? 113 TYR A N   1 
ATOM   898  C CA  . TYR A 1 113 ? 14.23667 -24.41889 25.89734  1.000 36.88433  ? 113 TYR A CA  1 
ATOM   899  C C   . TYR A 1 113 ? 12.82652 -24.80908 26.31845  1.000 43.89684  ? 113 TYR A C   1 
ATOM   900  O O   . TYR A 1 113 ? 12.50496 -24.79094 27.51306  1.000 39.30954  ? 113 TYR A O   1 
ATOM   901  C CB  . TYR A 1 113 ? 15.25219 -25.51331 26.23528  1.000 37.31525  ? 113 TYR A CB  1 
ATOM   902  C CG  . TYR A 1 113 ? 16.62751 -25.05669 25.81725  1.000 41.54136  ? 113 TYR A CG  1 
ATOM   903  C CD1 . TYR A 1 113 ? 17.44143 -24.32467 26.68323  1.000 38.44149  ? 113 TYR A CD1 1 
ATOM   904  C CD2 . TYR A 1 113 ? 17.08871 -25.29447 24.54167  1.000 38.77166  ? 113 TYR A CD2 1 
ATOM   905  C CE1 . TYR A 1 113 ? 18.69908 -23.86558 26.28704  1.000 41.22316  ? 113 TYR A CE1 1 
ATOM   906  C CE2 . TYR A 1 113 ? 18.33361 -24.83985 24.13409  1.000 36.51829  ? 113 TYR A CE2 1 
ATOM   907  C CZ  . TYR A 1 113 ? 19.12844 -24.12371 24.99415  1.000 45.72538  ? 113 TYR A CZ  1 
ATOM   908  O OH  . TYR A 1 113 ? 20.35482 -23.69309 24.53799  1.000 41.03982  ? 113 TYR A OH  1 
ATOM   909  N N   . ILE A 1 114 ? 11.98713 -25.11902 25.33243  1.000 32.42454  ? 114 ILE A N   1 
ATOM   910  C CA  . ILE A 1 114 ? 10.60296 -25.49533 25.60943  1.000 36.91971  ? 114 ILE A CA  1 
ATOM   911  C C   . ILE A 1 114 ? 10.28591 -26.83446 24.95676  1.000 39.46436  ? 114 ILE A C   1 
ATOM   912  O O   . ILE A 1 114 ? 10.24655 -26.91344 23.72326  1.000 40.28380  ? 114 ILE A O   1 
ATOM   913  C CB  . ILE A 1 114 ? 9.62972  -24.41608 25.11645  1.000 39.46151  ? 114 ILE A CB  1 
ATOM   914  C CG1 . ILE A 1 114 ? 9.95037  -23.09324 25.78930  1.000 45.89222  ? 114 ILE A CG1 1 
ATOM   915  C CG2 . ILE A 1 114 ? 8.18386  -24.81351 25.36816  1.000 40.65559  ? 114 ILE A CG2 1 
ATOM   916  C CD1 . ILE A 1 114 ? 9.10327  -21.96717 25.28205  1.000 47.86151  ? 114 ILE A CD1 1 
ATOM   917  N N   . PRO A 1 115 ? 10.04709 -27.90328 25.72314  1.000 43.71482  ? 115 PRO A N   1 
ATOM   918  C CA  . PRO A 1 115 ? 9.61479  -29.15751 25.08474  1.000 37.63183  ? 115 PRO A CA  1 
ATOM   919  C C   . PRO A 1 115 ? 8.18193  -28.99228 24.59992  1.000 45.98925  ? 115 PRO A C   1 
ATOM   920  O O   . PRO A 1 115 ? 7.29641  -28.66015 25.38869  1.000 41.70838  ? 115 PRO A O   1 
ATOM   921  C CB  . PRO A 1 115 ? 9.71999  -30.19147 26.21543  1.000 49.71004  ? 115 PRO A CB  1 
ATOM   922  C CG  . PRO A 1 115 ? 10.39175 -29.45330 27.37805  1.000 42.83737  ? 115 PRO A CG  1 
ATOM   923  C CD  . PRO A 1 115 ? 10.06687 -28.02064 27.19242  1.000 42.32736  ? 115 PRO A CD  1 
ATOM   924  N N   . VAL A 1 116 ? 7.95593  -29.16965 23.30338  1.000 40.62069  ? 116 VAL A N   1 
ATOM   925  C CA  . VAL A 1 116 ? 6.61587  -28.98830 22.75814  1.000 40.45792  ? 116 VAL A CA  1 
ATOM   926  C C   . VAL A 1 116 ? 5.92058  -30.31722 22.47952  1.000 41.83635  ? 116 VAL A C   1 
ATOM   927  O O   . VAL A 1 116 ? 4.74657  -30.32081 22.07676  1.000 45.02077  ? 116 VAL A O   1 
ATOM   928  C CB  . VAL A 1 116 ? 6.67255  -28.11261 21.49196  1.000 44.09234  ? 116 VAL A CB  1 
ATOM   929  C CG1 . VAL A 1 116 ? 7.14755  -26.67839 21.84053  1.000 39.77174  ? 116 VAL A CG1 1 
ATOM   930  C CG2 . VAL A 1 116 ? 7.60973  -28.74629 20.47418  1.000 37.25363  ? 116 VAL A CG2 1 
ATOM   931  N N   . GLY A 1 117 ? 6.61433  -31.44626 22.66106  1.000 41.68603  ? 117 GLY A N   1 
ATOM   932  C CA  . GLY A 1 117 ? 6.02218  -32.75589 22.44374  1.000 38.96044  ? 117 GLY A CA  1 
ATOM   933  C C   . GLY A 1 117 ? 5.93507  -33.13110 20.97638  1.000 47.85763  ? 117 GLY A C   1 
ATOM   934  O O   . GLY A 1 117 ? 6.89796  -32.93241 20.23068  1.000 39.54005  ? 117 GLY A O   1 
ATOM   935  N N   . GLN A 1 118 ? 4.79046  -33.66628 20.54404  1.000 41.22545  ? 118 GLN A N   1 
ATOM   936  C CA  . GLN A 1 118 ? 4.63854  -34.18508 19.18845  1.000 48.55730  ? 118 GLN A CA  1 
ATOM   937  C C   . GLN A 1 118 ? 4.52242  -33.05872 18.17658  1.000 42.08544  ? 118 GLN A C   1 
ATOM   938  O O   . GLN A 1 118 ? 3.86719  -32.04654 18.43423  1.000 43.33123  ? 118 GLN A O   1 
ATOM   939  C CB  . GLN A 1 118 ? 3.38398  -35.04720 19.08691  1.000 55.66351  ? 118 GLN A CB  1 
ATOM   940  C CG  . GLN A 1 118 ? 3.58238  -36.34510 18.34992  1.000 65.26804  ? 118 GLN A CG  1 
ATOM   941  C CD  . GLN A 1 118 ? 4.39959  -37.33225 19.15856  1.000 69.76212  ? 118 GLN A CD  1 
ATOM   942  O OE1 . GLN A 1 118 ? 5.05393  -36.96208 20.14839  1.000 69.03529  ? 118 GLN A OE1 1 
ATOM   943  N NE2 . GLN A 1 118 ? 4.37943  -38.59887 18.73654  1.000 73.30010  ? 118 GLN A NE2 1 
ATOM   944  N N   . VAL A 1 119 ? 5.08503  -33.27593 16.99058  1.000 48.66531  ? 119 VAL A N   1 
ATOM   945  C CA  . VAL A 1 119 ? 5.05015  -32.28350 15.92624  1.000 42.23568  ? 119 VAL A CA  1 
ATOM   946  C C   . VAL A 1 119 ? 4.46896  -32.93203 14.67373  1.000 45.25811  ? 119 VAL A C   1 
ATOM   947  O O   . VAL A 1 119 ? 5.03199  -33.90231 14.14780  1.000 41.92079  ? 119 VAL A O   1 
ATOM   948  C CB  . VAL A 1 119 ? 6.44188  -31.69738 15.64627  1.000 44.67980  ? 119 VAL A CB  1 
ATOM   949  C CG1 . VAL A 1 119 ? 6.39191  -30.78445 14.39298  1.000 45.16736  ? 119 VAL A CG1 1 
ATOM   950  C CG2 . VAL A 1 119 ? 6.93815  -30.92984 16.84266  1.000 41.72515  ? 119 VAL A CG2 1 
ATOM   951  N N   . THR A 1 120 ? 3.36146  -32.39083 14.18213  1.000 42.49694  ? 120 THR A N   1 
ATOM   952  C CA  . THR A 1 120 ? 2.68702  -32.98540 13.04126  1.000 43.06380  ? 120 THR A CA  1 
ATOM   953  C C   . THR A 1 120 ? 2.83694  -32.11426 11.80445  1.000 45.96101  ? 120 THR A C   1 
ATOM   954  O O   . THR A 1 120 ? 2.79978  -30.88077 11.87901  1.000 43.79277  ? 120 THR A O   1 
ATOM   955  C CB  . THR A 1 120 ? 1.21017  -33.22213 13.33862  1.000 47.93289  ? 120 THR A CB  1 
ATOM   956  O OG1 . THR A 1 120 ? 0.58538  -31.97136 13.63680  1.000 55.03716  ? 120 THR A OG1 1 
ATOM   957  C CG2 . THR A 1 120 ? 1.07575  -34.13708 14.56100  1.000 50.17535  ? 120 THR A CG2 1 
ATOM   958  N N   . ASN A 1 121 ? 2.99345  -32.76685 10.66331  1.000 47.33610  ? 121 ASN A N   1 
ATOM   959  C CA  . ASN A 1 121 ? 3.02503  -32.09373 9.37528   1.000 44.69438  ? 121 ASN A CA  1 
ATOM   960  C C   . ASN A 1 121 ? 1.59528  -31.63014 9.12459   1.000 48.33457  ? 121 ASN A C   1 
ATOM   961  O O   . ASN A 1 121 ? 0.72728  -32.41941 8.74973   1.000 48.44967  ? 121 ASN A O   1 
ATOM   962  C CB  . ASN A 1 121 ? 3.56840  -33.06281 8.32463   1.000 45.88527  ? 121 ASN A CB  1 
ATOM   963  C CG  . ASN A 1 121 ? 3.36776  -32.59016 6.89346   1.000 46.18889  ? 121 ASN A CG  1 
ATOM   964  O OD1 . ASN A 1 121 ? 2.83677  -31.50803 6.63740   1.000 49.37732  ? 121 ASN A OD1 1 
ATOM   965  N ND2 . ASN A 1 121 ? 3.84533  -33.39303 5.94686   1.000 44.99763  ? 121 ASN A ND2 1 
ATOM   966  N N   . TYR A 1 122 ? 1.32521  -30.36558 9.46639   1.000 41.74688  ? 122 TYR A N   1 
ATOM   967  C CA  . TYR A 1 122 ? -0.01359 -29.77746 9.43033   1.000 44.73734  ? 122 TYR A CA  1 
ATOM   968  C C   . TYR A 1 122 ? -0.46118 -29.42221 8.02050   1.000 46.82827  ? 122 TYR A C   1 
ATOM   969  O O   . TYR A 1 122 ? -1.64228 -29.57379 7.68223   1.000 51.69571  ? 122 TYR A O   1 
ATOM   970  C CB  . TYR A 1 122 ? -0.01325 -28.50999 10.26428  1.000 41.03618  ? 122 TYR A CB  1 
ATOM   971  C CG  . TYR A 1 122 ? -1.35028 -27.94586 10.62583  1.000 49.41401  ? 122 TYR A CG  1 
ATOM   972  C CD1 . TYR A 1 122 ? -2.02977 -28.41099 11.73133  1.000 52.10335  ? 122 TYR A CD1 1 
ATOM   973  C CD2 . TYR A 1 122 ? -1.92025 -26.92183 9.88334   1.000 47.62754  ? 122 TYR A CD2 1 
ATOM   974  C CE1 . TYR A 1 122 ? -3.23571 -27.87263 12.09996  1.000 53.68596  ? 122 TYR A CE1 1 
ATOM   975  C CE2 . TYR A 1 122 ? -3.13937 -26.37569 10.24013  1.000 51.79201  ? 122 TYR A CE2 1 
ATOM   976  C CZ  . TYR A 1 122 ? -3.78924 -26.86260 11.35745  1.000 57.75374  ? 122 TYR A CZ  1 
ATOM   977  O OH  . TYR A 1 122 ? -5.00176 -26.36101 11.75517  1.000 61.70530  ? 122 TYR A OH  1 
ATOM   978  N N   . GLY A 1 123 ? 0.43808  -28.87240 7.21219   1.000 47.85831  ? 123 GLY A N   1 
ATOM   979  C CA  . GLY A 1 123 ? 0.11040  -28.48484 5.84026   1.000 48.42437  ? 123 GLY A CA  1 
ATOM   980  C C   . GLY A 1 123 ? -0.37937 -27.03533 5.75746   1.000 50.83883  ? 123 GLY A C   1 
ATOM   981  O O   . GLY A 1 123 ? 0.33660  -26.11478 6.17086   1.000 44.74756  ? 123 GLY A O   1 
ATOM   982  N N   . PHE A 1 124 ? -1.58820 -26.84696 5.23280   1.000 50.87146  ? 124 PHE A N   1 
ATOM   983  C CA  . PHE A 1 124 ? -2.10006 -25.49914 5.01722   1.000 48.84240  ? 124 PHE A CA  1 
ATOM   984  C C   . PHE A 1 124 ? -2.54936 -24.87053 6.32769   1.000 51.93289  ? 124 PHE A C   1 
ATOM   985  O O   . PHE A 1 124 ? -3.22633 -25.50722 7.14079   1.000 50.18438  ? 124 PHE A O   1 
ATOM   986  C CB  . PHE A 1 124 ? -3.27452 -25.49800 4.03617   1.000 55.25176  ? 124 PHE A CB  1 
ATOM   987  C CG  . PHE A 1 124 ? -4.06675 -24.21861 4.05989   1.000 56.35114  ? 124 PHE A CG  1 
ATOM   988  C CD1 . PHE A 1 124 ? -3.65519 -23.11977 3.31544   1.000 60.42793  ? 124 PHE A CD1 1 
ATOM   989  C CD2 . PHE A 1 124 ? -5.19863 -24.09595 4.85760   1.000 58.85781  ? 124 PHE A CD2 1 
ATOM   990  C CE1 . PHE A 1 124 ? -4.37024 -21.92145 3.34915   1.000 57.47180  ? 124 PHE A CE1 1 
ATOM   991  C CE2 . PHE A 1 124 ? -5.91755 -22.89750 4.90170   1.000 60.66317  ? 124 PHE A CE2 1 
ATOM   992  C CZ  . PHE A 1 124 ? -5.50280 -21.81118 4.14169   1.000 57.84109  ? 124 PHE A CZ  1 
ATOM   993  N N   . LEU A 1 125 ? -2.19951 -23.60007 6.50638   1.000 47.74620  ? 125 LEU A N   1 
ATOM   994  C CA  . LEU A 1 125 ? -2.69193 -22.80442 7.62047   1.000 51.85728  ? 125 LEU A CA  1 
ATOM   995  C C   . LEU A 1 125 ? -2.91755 -21.37732 7.14908   1.000 54.35002  ? 125 LEU A C   1 
ATOM   996  O O   . LEU A 1 125 ? -2.06378 -20.80873 6.46294   1.000 58.22890  ? 125 LEU A O   1 
ATOM   997  C CB  . LEU A 1 125 ? -1.69714 -22.82766 8.78747   1.000 49.91092  ? 125 LEU A CB  1 
ATOM   998  C CG  . LEU A 1 125 ? -1.96329 -21.87346 9.94574   1.000 54.41630  ? 125 LEU A CG  1 
ATOM   999  C CD1 . LEU A 1 125 ? -3.19434 -22.36353 10.69152  1.000 51.51486  ? 125 LEU A CD1 1 
ATOM   1000 C CD2 . LEU A 1 125 ? -0.74681 -21.78362 10.86818  1.000 50.16622  ? 125 LEU A CD2 1 
ATOM   1001 N N   . ASN A 1 126 ? -4.05469 -20.79414 7.50820   1.000 55.93838  ? 126 ASN A N   1 
ATOM   1002 C CA  . ASN A 1 126 ? -4.21772 -19.35252 7.35581   1.000 55.38557  ? 126 ASN A CA  1 
ATOM   1003 C C   . ASN A 1 126 ? -3.52315 -18.71402 8.55504   1.000 62.56512  ? 126 ASN A C   1 
ATOM   1004 O O   . ASN A 1 126 ? -4.05764 -18.69361 9.66899   1.000 57.68765  ? 126 ASN A O   1 
ATOM   1005 C CB  . ASN A 1 126 ? -5.68904 -18.96829 7.26194   1.000 57.93843  ? 126 ASN A CB  1 
ATOM   1006 C CG  . ASN A 1 126 ? -5.88044 -17.48170 7.03271   1.000 66.81484  ? 126 ASN A CG  1 
ATOM   1007 O OD1 . ASN A 1 126 ? -5.76044 -16.68478 7.96222   1.000 73.48971  ? 126 ASN A OD1 1 
ATOM   1008 N ND2 . ASN A 1 126 ? -6.13711 -17.09532 5.77861   1.000 68.64878  ? 126 ASN A ND2 1 
ATOM   1009 N N   . LEU A 1 127 ? -2.30824 -18.21707 8.33454   1.000 57.78511  ? 127 LEU A N   1 
ATOM   1010 C CA  . LEU A 1 127 ? -1.43402 -17.76051 9.40990   1.000 62.92281  ? 127 LEU A CA  1 
ATOM   1011 C C   . LEU A 1 127 ? -1.66401 -16.27050 9.62357   1.000 67.56405  ? 127 LEU A C   1 
ATOM   1012 O O   . LEU A 1 127 ? -1.08530 -15.43175 8.92077   1.000 64.04215  ? 127 LEU A O   1 
ATOM   1013 C CB  . LEU A 1 127 ? 0.01478  -18.07282 9.07308   1.000 55.41456  ? 127 LEU A CB  1 
ATOM   1014 C CG  . LEU A 1 127 ? 1.02552  -17.82595 10.17207  1.000 58.75087  ? 127 LEU A CG  1 
ATOM   1015 C CD1 . LEU A 1 127 ? 0.73347  -18.76021 11.30910  1.000 59.29314  ? 127 LEU A CD1 1 
ATOM   1016 C CD2 . LEU A 1 127 ? 2.41691  -18.11226 9.60328   1.000 51.86193  ? 127 LEU A CD2 1 
ATOM   1017 N N   . GLY A 1 128 ? -2.51247 -15.95644 10.60453  1.000 70.79969  ? 128 GLY A N   1 
ATOM   1018 C CA  . GLY A 1 128 ? -2.93633 -14.59756 10.88386  1.000 68.13431  ? 128 GLY A CA  1 
ATOM   1019 C C   . GLY A 1 128 ? -3.22078 -13.80311 9.62278   1.000 72.16684  ? 128 GLY A C   1 
ATOM   1020 O O   . GLY A 1 128 ? -2.68348 -12.70606 9.43685   1.000 80.00097  ? 128 GLY A O   1 
ATOM   1021 N N   . GLY A 1 129 ? -4.03997 -14.36199 8.72758   1.000 70.83628  ? 129 GLY A N   1 
ATOM   1022 C CA  . GLY A 1 129 ? -4.44805 -13.67990 7.51515   1.000 68.12233  ? 129 GLY A CA  1 
ATOM   1023 C C   . GLY A 1 129 ? -3.65648 -14.02223 6.26667   1.000 69.96965  ? 129 GLY A C   1 
ATOM   1024 O O   . GLY A 1 129 ? -4.10886 -13.68935 5.15951   1.000 66.54307  ? 129 GLY A O   1 
ATOM   1025 N N   . THR A 1 130 ? -2.49605 -14.66716 6.39714   1.000 68.66264  ? 130 THR A N   1 
ATOM   1026 C CA  . THR A 1 130 ? -1.71046 -15.02158 5.22005   1.000 67.07758  ? 130 THR A CA  1 
ATOM   1027 C C   . THR A 1 130 ? -1.79393 -16.51643 4.95695   1.000 60.54714  ? 130 THR A C   1 
ATOM   1028 O O   . THR A 1 130 ? -1.30168 -17.31197 5.76938   1.000 58.86898  ? 130 THR A O   1 
ATOM   1029 C CB  . THR A 1 130 ? -0.24798 -14.60714 5.37021   1.000 68.07968  ? 130 THR A CB  1 
ATOM   1030 O OG1 . THR A 1 130 ? -0.16088 -13.30747 5.97186   1.000 72.68563  ? 130 THR A OG1 1 
ATOM   1031 C CG2 . THR A 1 130 ? 0.42915  -14.60073 3.99086   1.000 59.75434  ? 130 THR A CG2 1 
ATOM   1032 N N   . PRO A 1 131 ? -2.36802 -16.94573 3.83904   1.000 59.52659  ? 131 PRO A N   1 
ATOM   1033 C CA  . PRO A 1 131 ? -2.32960 -18.37391 3.49258   1.000 53.07813  ? 131 PRO A CA  1 
ATOM   1034 C C   . PRO A 1 131 ? -0.88728 -18.86466 3.41692   1.000 49.76056  ? 131 PRO A C   1 
ATOM   1035 O O   . PRO A 1 131 ? -0.04150 -18.24372 2.77055   1.000 51.81363  ? 131 PRO A O   1 
ATOM   1036 C CB  . PRO A 1 131 ? -3.01787 -18.42352 2.12335   1.000 52.93888  ? 131 PRO A CB  1 
ATOM   1037 C CG  . PRO A 1 131 ? -3.80558 -17.12357 2.03125   1.000 56.74459  ? 131 PRO A CG  1 
ATOM   1038 C CD  . PRO A 1 131 ? -3.01194 -16.12177 2.80330   1.000 57.44189  ? 131 PRO A CD  1 
ATOM   1039 N N   . THR A 1 132 ? -0.61016 -20.00042 4.06344   1.000 48.05394  ? 132 THR A N   1 
ATOM   1040 C CA  . THR A 1 132 ? 0.75036  -20.52107 4.18166   1.000 44.71901  ? 132 THR A CA  1 
ATOM   1041 C C   . THR A 1 132 ? 0.72890  -22.03717 4.01435   1.000 46.42501  ? 132 THR A C   1 
ATOM   1042 O O   . THR A 1 132 ? -0.25205 -22.69492 4.37029   1.000 47.78558  ? 132 THR A O   1 
ATOM   1043 C CB  . THR A 1 132 ? 1.37299  -20.11423 5.54599   1.000 43.93880  ? 132 THR A CB  1 
ATOM   1044 O OG1 . THR A 1 132 ? 1.29036  -18.69068 5.68774   1.000 44.85796  ? 132 THR A OG1 1 
ATOM   1045 C CG2 . THR A 1 132 ? 2.84654  -20.55030 5.68074   1.000 36.34108  ? 132 THR A CG2 1 
ATOM   1046 N N   . HIS A 1 133 ? 1.82537  -22.58765 3.48685   1.000 37.82373  ? 133 HIS A N   1 
ATOM   1047 C CA  . HIS A 1 133 ? 1.96186  -24.02304 3.26366   1.000 41.33034  ? 133 HIS A CA  1 
ATOM   1048 C C   . HIS A 1 133 ? 3.13550  -24.59496 4.05070   1.000 37.85875  ? 133 HIS A C   1 
ATOM   1049 O O   . HIS A 1 133 ? 4.04567  -23.87721 4.47304   1.000 39.67057  ? 133 HIS A O   1 
ATOM   1050 C CB  . HIS A 1 133 ? 2.16604  -24.34237 1.76814   1.000 40.84942  ? 133 HIS A CB  1 
ATOM   1051 C CG  . HIS A 1 133 ? 0.91919  -24.21574 0.94813   1.000 43.22755  ? 133 HIS A CG  1 
ATOM   1052 N ND1 . HIS A 1 133 ? 0.92827  -24.14434 -0.42838  1.000 46.27563  ? 133 HIS A ND1 1 
ATOM   1053 C CD2 . HIS A 1 133 ? -0.38072 -24.13012 1.32044   1.000 48.20179  ? 133 HIS A CD2 1 
ATOM   1054 C CE1 . HIS A 1 133 ? -0.31147 -24.02089 -0.86880  1.000 43.07880  ? 133 HIS A CE1 1 
ATOM   1055 N NE2 . HIS A 1 133 ? -1.12474 -24.01954 0.17213   1.000 46.72186  ? 133 HIS A NE2 1 
ATOM   1056 N N   . ARG A 1 134 ? 3.14379  -25.92012 4.17891   1.000 34.71775  ? 134 ARG A N   1 
ATOM   1057 C CA  . ARG A 1 134 ? 4.29345  -26.61864 4.74454   1.000 37.65832  ? 134 ARG A CA  1 
ATOM   1058 C C   . ARG A 1 134 ? 4.46596  -26.29924 6.22798   1.000 38.87856  ? 134 ARG A C   1 
ATOM   1059 O O   . ARG A 1 134 ? 5.58356  -26.18952 6.73657   1.000 39.98956  ? 134 ARG A O   1 
ATOM   1060 C CB  . ARG A 1 134 ? 5.56816  -26.28218 3.96478   1.000 40.95540  ? 134 ARG A CB  1 
ATOM   1061 C CG  . ARG A 1 134 ? 5.85237  -27.28179 2.82885   1.000 50.53036  ? 134 ARG A CG  1 
ATOM   1062 C CD  . ARG A 1 134 ? 7.02695  -26.87897 1.99241   1.000 43.99580  ? 134 ARG A CD  1 
ATOM   1063 N NE  . ARG A 1 134 ? 6.74883  -26.78589 0.56323   1.000 42.74063  ? 134 ARG A NE  1 
ATOM   1064 C CZ  . ARG A 1 134 ? 7.67677  -26.48986 -0.34119  1.000 41.62595  ? 134 ARG A CZ  1 
ATOM   1065 N NH1 . ARG A 1 134 ? 8.91619  -26.20857 0.02245   1.000 39.15229  ? 134 ARG A NH1 1 
ATOM   1066 N NH2 . ARG A 1 134 ? 7.35563  -26.49180 -1.63220  1.000 50.60586  ? 134 ARG A NH2 1 
ATOM   1067 N N   . ILE A 1 135 ? 3.36238  -26.15652 6.93774   1.000 41.65505  ? 135 ILE A N   1 
ATOM   1068 C CA  . ILE A 1 135 ? 3.40883  -25.79794 8.35110   1.000 43.24630  ? 135 ILE A CA  1 
ATOM   1069 C C   . ILE A 1 135 ? 3.49035  -27.04432 9.23093   1.000 47.00033  ? 135 ILE A C   1 
ATOM   1070 O O   . ILE A 1 135 ? 2.81881  -28.05372 8.97834   1.000 43.91854  ? 135 ILE A O   1 
ATOM   1071 C CB  . ILE A 1 135 ? 2.19446  -24.93486 8.74025   1.000 44.29751  ? 135 ILE A CB  1 
ATOM   1072 C CG1 . ILE A 1 135 ? 2.32779  -23.54382 8.12550   1.000 40.66672  ? 135 ILE A CG1 1 
ATOM   1073 C CG2 . ILE A 1 135 ? 2.11212  -24.78663 10.27452  1.000 41.67212  ? 135 ILE A CG2 1 
ATOM   1074 C CD1 . ILE A 1 135 ? 3.48762  -22.75997 8.73007   1.000 50.05005  ? 135 ILE A CD1 1 
ATOM   1075 N N   . LEU A 1 136 ? 4.31956  -26.96196 10.27619  1.000 42.46341  ? 136 LEU A N   1 
ATOM   1076 C CA  . LEU A 1 136 ? 4.39050  -27.95574 11.34135  1.000 44.90045  ? 136 LEU A CA  1 
ATOM   1077 C C   . LEU A 1 136 ? 3.63862  -27.44394 12.55951  1.000 43.63527  ? 136 LEU A C   1 
ATOM   1078 O O   . LEU A 1 136 ? 3.71336  -26.25403 12.88853  1.000 37.69635  ? 136 LEU A O   1 
ATOM   1079 C CB  . LEU A 1 136 ? 5.83541  -28.25532 11.74294  1.000 43.65223  ? 136 LEU A CB  1 
ATOM   1080 C CG  . LEU A 1 136 ? 6.72874  -28.87506 10.67523  1.000 42.18519  ? 136 LEU A CG  1 
ATOM   1081 C CD1 . LEU A 1 136 ? 8.16383  -28.61699 11.03497  1.000 42.16137  ? 136 LEU A CD1 1 
ATOM   1082 C CD2 . LEU A 1 136 ? 6.48007  -30.36827 10.57159  1.000 44.36585  ? 136 LEU A CD2 1 
ATOM   1083 N N   . MET A 1 137 ? 2.92836  -28.35383 13.22727  1.000 39.81735  ? 137 MET A N   1 
ATOM   1084 C CA  . MET A 1 137 ? 2.09396  -28.03379 14.37673  1.000 45.67781  ? 137 MET A CA  1 
ATOM   1085 C C   . MET A 1 137 ? 2.53509  -28.78833 15.61830  1.000 41.95518  ? 137 MET A C   1 
ATOM   1086 O O   . MET A 1 137 ? 2.94695  -29.95369 15.54610  1.000 42.96377  ? 137 MET A O   1 
ATOM   1087 C CB  . MET A 1 137 ? 0.62589  -28.36050 14.12730  1.000 42.85668  ? 137 MET A CB  1 
ATOM   1088 C CG  . MET A 1 137 ? -0.29254 -27.69126 15.13726  1.000 51.51845  ? 137 MET A CG  1 
ATOM   1089 S SD  . MET A 1 137 ? -0.57966 -28.94088 16.43200  1.000 53.08384  ? 137 MET A SD  1 
ATOM   1090 C CE  . MET A 1 137 ? -1.72556 -30.01213 15.56050  1.000 57.24136  ? 137 MET A CE  1 
ATOM   1091 N N   . TYR A 1 138 ? 2.40222  -28.10950 16.75675  1.000 44.79329  ? 138 TYR A N   1 
ATOM   1092 C CA  . TYR A 1 138 ? 2.58381  -28.71139 18.06711  1.000 43.30443  ? 138 TYR A CA  1 
ATOM   1093 C C   . TYR A 1 138 ? 1.55543  -28.12941 19.02787  1.000 49.30266  ? 138 TYR A C   1 
ATOM   1094 O O   . TYR A 1 138 ? 1.17985  -26.95501 18.92856  1.000 45.42262  ? 138 TYR A O   1 
ATOM   1095 C CB  . TYR A 1 138 ? 4.02769  -28.53186 18.61770  1.000 43.68453  ? 138 TYR A CB  1 
ATOM   1096 C CG  . TYR A 1 138 ? 4.79150  -27.31579 18.12744  1.000 46.14624  ? 138 TYR A CG  1 
ATOM   1097 C CD1 . TYR A 1 138 ? 4.73514  -26.08115 18.79600  1.000 41.39584  ? 138 TYR A CD1 1 
ATOM   1098 C CD2 . TYR A 1 138 ? 5.50938  -27.38499 16.94033  1.000 42.92268  ? 138 TYR A CD2 1 
ATOM   1099 C CE1 . TYR A 1 138 ? 5.44833  -24.96406 18.30193  1.000 44.96034  ? 138 TYR A CE1 1 
ATOM   1100 C CE2 . TYR A 1 138 ? 6.20316  -26.29427 16.43883  1.000 42.30863  ? 138 TYR A CE2 1 
ATOM   1101 C CZ  . TYR A 1 138 ? 6.16319  -25.09268 17.09199  1.000 44.63215  ? 138 TYR A CZ  1 
ATOM   1102 O OH  . TYR A 1 138 ? 6.88535  -24.06871 16.51746  1.000 43.69643  ? 138 TYR A OH  1 
ATOM   1103 N N   . ASN A 1 139 ? 1.07834  -28.97943 19.94005  1.000 52.86136  ? 139 ASN A N   1 
ATOM   1104 C CA  . ASN A 1 139 ? 0.08986  -28.58436 20.94053  1.000 51.66697  ? 139 ASN A CA  1 
ATOM   1105 C C   . ASN A 1 139 ? 0.82997  -27.99284 22.13313  1.000 53.92745  ? 139 ASN A C   1 
ATOM   1106 O O   . ASN A 1 139 ? 1.14033  -28.65764 23.12195  1.000 61.37966  ? 139 ASN A O   1 
ATOM   1107 C CB  . ASN A 1 139 ? -0.79291 -29.76509 21.31826  1.000 56.45405  ? 139 ASN A CB  1 
ATOM   1108 C CG  . ASN A 1 139 ? -1.66700 -30.21570 20.15094  1.000 57.95554  ? 139 ASN A CG  1 
ATOM   1109 O OD1 . ASN A 1 139 ? -2.56353 -29.47926 19.72729  1.000 65.06413  ? 139 ASN A OD1 1 
ATOM   1110 N ND2 . ASN A 1 139 ? -1.39789 -31.41207 19.61190  1.000 60.39252  ? 139 ASN A ND2 1 
ATOM   1111 N N   . PHE A 1 140 ? 1.12421  -26.70568 22.01209  1.000 52.09332  ? 140 PHE A N   1 
ATOM   1112 C CA  . PHE A 1 140 ? 1.77473  -26.00435 23.07149  1.000 48.91318  ? 140 PHE A CA  1 
ATOM   1113 C C   . PHE A 1 140 ? 1.39753  -24.53980 22.94000  1.000 49.71249  ? 140 PHE A C   1 
ATOM   1114 O O   . PHE A 1 140 ? 1.31175  -24.02509 21.81755  1.000 51.90889  ? 140 PHE A O   1 
ATOM   1115 C CB  . PHE A 1 140 ? 3.29773  -26.16192 23.04392  1.000 47.42834  ? 140 PHE A CB  1 
ATOM   1116 C CG  . PHE A 1 140 ? 3.96381  -25.66765 24.29767  1.000 52.20743  ? 140 PHE A CG  1 
ATOM   1117 C CD1 . PHE A 1 140 ? 4.30046  -24.33291 24.43900  1.000 51.19126  ? 140 PHE A CD1 1 
ATOM   1118 C CD2 . PHE A 1 140 ? 4.21502  -26.52979 25.35574  1.000 55.12899  ? 140 PHE A CD2 1 
ATOM   1119 C CE1 . PHE A 1 140 ? 4.89272  -23.86257 25.61532  1.000 54.44137  ? 140 PHE A CE1 1 
ATOM   1120 C CE2 . PHE A 1 140 ? 4.81032  -26.06806 26.53390  1.000 59.81223  ? 140 PHE A CE2 1 
ATOM   1121 C CZ  . PHE A 1 140 ? 5.15100  -24.73030 26.65936  1.000 53.32762  ? 140 PHE A CZ  1 
ATOM   1122 N N   . PRO A 1 141 ? 1.16585  -23.86192 24.03449  1.000 46.79838  ? 141 PRO A N   1 
ATOM   1123 C CA  . PRO A 1 141 ? 0.72592  -22.45635 23.94912  1.000 48.11969  ? 141 PRO A CA  1 
ATOM   1124 C C   . PRO A 1 141 ? 1.89329  -21.48336 23.80569  1.000 51.55003  ? 141 PRO A C   1 
ATOM   1125 O O   . PRO A 1 141 ? 2.30163  -20.80676 24.74113  1.000 48.51895  ? 141 PRO A O   1 
ATOM   1126 C CB  . PRO A 1 141 ? -0.02171 -22.26613 25.26878  1.000 48.50072  ? 141 PRO A CB  1 
ATOM   1127 C CG  . PRO A 1 141 ? 0.69494  -23.19050 26.20235  1.000 46.89649  ? 141 PRO A CG  1 
ATOM   1128 C CD  . PRO A 1 141 ? 1.07554  -24.39666 25.40116  1.000 47.63579  ? 141 PRO A CD  1 
ATOM   1129 N N   . THR A 1 142 ? 2.43545  -21.40072 22.59340  1.000 43.96392  ? 142 THR A N   1 
ATOM   1130 C CA  . THR A 1 142 ? 3.56071  -20.51872 22.31861  1.000 39.78756  ? 142 THR A CA  1 
ATOM   1131 C C   . THR A 1 142 ? 3.08298  -19.06920 22.28135  1.000 43.24848  ? 142 THR A C   1 
ATOM   1132 O O   . THR A 1 142 ? 1.89571  -18.79107 22.09945  1.000 44.87824  ? 142 THR A O   1 
ATOM   1133 C CB  . THR A 1 142 ? 4.20635  -20.88543 20.98764  1.000 45.99269  ? 142 THR A CB  1 
ATOM   1134 O OG1 . THR A 1 142 ? 3.21531  -20.74479 19.96387  1.000 39.96049  ? 142 THR A OG1 1 
ATOM   1135 C CG2 . THR A 1 142 ? 4.72001  -22.33451 21.00522  1.000 43.60178  ? 142 THR A CG2 1 
ATOM   1136 N N   . ARG A 1 143 ? 4.02772  -18.13904 22.42229  1.000 42.45663  ? 143 ARG A N   1 
ATOM   1137 C CA  . ARG A 1 143 ? 3.67759  -16.74374 22.65534  1.000 45.94946  ? 143 ARG A CA  1 
ATOM   1138 C C   . ARG A 1 143 ? 4.53685  -15.82327 21.79612  1.000 46.21933  ? 143 ARG A C   1 
ATOM   1139 O O   . ARG A 1 143 ? 5.58140  -16.21645 21.26653  1.000 43.95973  ? 143 ARG A O   1 
ATOM   1140 C CB  . ARG A 1 143 ? 3.83682  -16.33852 24.14654  1.000 48.50346  ? 143 ARG A CB  1 
ATOM   1141 C CG  . ARG A 1 143 ? 3.51780  -17.43574 25.19958  1.000 48.66403  ? 143 ARG A CG  1 
ATOM   1142 C CD  . ARG A 1 143 ? 2.06630  -17.31900 25.69057  1.000 58.57081  ? 143 ARG A CD  1 
ATOM   1143 N NE  . ARG A 1 143 ? 1.60459  -18.40512 26.55693  1.000 49.26389  ? 143 ARG A NE  1 
ATOM   1144 C CZ  . ARG A 1 143 ? 0.34474  -18.83404 26.61673  1.000 55.29944  ? 143 ARG A CZ  1 
ATOM   1145 N NH1 . ARG A 1 143 ? -0.59329 -18.35025 25.81359  1.000 62.56177  ? 143 ARG A NH1 1 
ATOM   1146 N NH2 . ARG A 1 143 ? 0.01635  -19.77040 27.50547  1.000 53.39709  ? 143 ARG A NH2 1 
ATOM   1147 N N   . ALA A 1 144 ? 4.08824  -14.57347 21.69179  1.000 47.31297  ? 144 ALA A N   1 
ATOM   1148 C CA  . ALA A 1 144 ? 4.92860  -13.53668 21.11791  1.000 52.77416  ? 144 ALA A CA  1 
ATOM   1149 C C   . ALA A 1 144 ? 6.30340  -13.57553 21.77131  1.000 55.60510  ? 144 ALA A C   1 
ATOM   1150 O O   . ALA A 1 144 ? 6.45328  -13.93254 22.94595  1.000 50.06132  ? 144 ALA A O   1 
ATOM   1151 C CB  . ALA A 1 144 ? 4.28987  -12.15867 21.30495  1.000 51.48727  ? 144 ALA A CB  1 
ATOM   1152 N N   . GLY A 1 145 ? 7.31439  -13.19783 20.99075  1.000 48.13258  ? 145 GLY A N   1 
ATOM   1153 C CA  . GLY A 1 145 ? 8.68608  -13.28217 21.42472  1.000 44.80881  ? 145 GLY A CA  1 
ATOM   1154 C C   . GLY A 1 145 ? 9.37383  -14.57793 21.06725  1.000 43.43601  ? 145 GLY A C   1 
ATOM   1155 O O   . GLY A 1 145 ? 10.58453 -14.70248 21.28318  1.000 46.46421  ? 145 GLY A O   1 
ATOM   1156 N N   . GLN A 1 146 ? 8.64680  -15.55517 20.54090  1.000 38.75970  ? 146 GLN A N   1 
ATOM   1157 C CA  . GLN A 1 146 ? 9.22608  -16.84588 20.22504  1.000 35.84430  ? 146 GLN A CA  1 
ATOM   1158 C C   . GLN A 1 146 ? 9.44300  -17.05355 18.73605  1.000 37.72517  ? 146 GLN A C   1 
ATOM   1159 O O   . GLN A 1 146 ? 9.93972  -18.10734 18.32667  1.000 35.31649  ? 146 GLN A O   1 
ATOM   1160 C CB  . GLN A 1 146 ? 8.32619  -17.94946 20.77148  1.000 35.41824  ? 146 GLN A CB  1 
ATOM   1161 C CG  . GLN A 1 146 ? 8.68838  -18.42997 22.18826  1.000 53.90422  ? 146 GLN A CG  1 
ATOM   1162 C CD  . GLN A 1 146 ? 7.46119  -18.71622 23.03567  1.000 46.92052  ? 146 GLN A CD  1 
ATOM   1163 O OE1 . GLN A 1 146 ? 6.57684  -19.46823 22.60514  1.000 44.30980  ? 146 GLN A OE1 1 
ATOM   1164 N NE2 . GLN A 1 146 ? 7.47554  -18.25490 24.29561  1.000 52.52393  ? 146 GLN A NE2 1 
ATOM   1165 N N   . CYS A 1 147 ? 9.07651  -16.08853 17.89495  1.000 35.12780  ? 147 CYS A N   1 
ATOM   1166 C CA  . CYS A 1 147 ? 9.20026  -16.29928 16.46216  1.000 38.67928  ? 147 CYS A CA  1 
ATOM   1167 C C   . CYS A 1 147 ? 10.66379 -16.37655 16.04321  1.000 41.27372  ? 147 CYS A C   1 
ATOM   1168 O O   . CYS A 1 147 ? 11.53661 -15.70331 16.60614  1.000 35.65459  ? 147 CYS A O   1 
ATOM   1169 C CB  . CYS A 1 147 ? 8.47379  -15.20763 15.69074  1.000 37.91226  ? 147 CYS A CB  1 
ATOM   1170 S SG  . CYS A 1 147 ? 6.73247  -15.60906 15.51099  1.000 43.67331  ? 147 CYS A SG  1 
ATOM   1171 N N   . GLY A 1 148 ? 10.93326 -17.23844 15.06639  1.000 41.72722  ? 148 GLY A N   1 
ATOM   1172 C CA  . GLY A 1 148 ? 12.28325 -17.63857 14.77619  1.000 37.52544  ? 148 GLY A CA  1 
ATOM   1173 C C   . GLY A 1 148 ? 12.79890 -18.77076 15.63082  1.000 38.69811  ? 148 GLY A C   1 
ATOM   1174 O O   . GLY A 1 148 ? 13.81342 -19.37899 15.26831  1.000 33.62692  ? 148 GLY A O   1 
ATOM   1175 N N   . GLY A 1 149 ? 12.16568 -19.04689 16.77094  1.000 39.37748  ? 149 GLY A N   1 
ATOM   1176 C CA  . GLY A 1 149 ? 12.64407 -20.12259 17.61975  1.000 35.13755  ? 149 GLY A CA  1 
ATOM   1177 C C   . GLY A 1 149 ? 12.89019 -21.40780 16.85271  1.000 35.22661  ? 149 GLY A C   1 
ATOM   1178 O O   . GLY A 1 149 ? 12.14117 -21.73276 15.92565  1.000 41.32667  ? 149 GLY A O   1 
ATOM   1179 N N   . VAL A 1 150 ? 13.96299 -22.12041 17.20005  1.000 35.32321  ? 150 VAL A N   1 
ATOM   1180 C CA  . VAL A 1 150 ? 14.43181 -23.28309 16.45032  1.000 34.73795  ? 150 VAL A CA  1 
ATOM   1181 C C   . VAL A 1 150 ? 13.71191 -24.51138 16.98729  1.000 45.77677  ? 150 VAL A C   1 
ATOM   1182 O O   . VAL A 1 150 ? 13.72240 -24.74795 18.20098  1.000 36.44523  ? 150 VAL A O   1 
ATOM   1183 C CB  . VAL A 1 150 ? 15.95656 -23.45131 16.59074  1.000 39.35100  ? 150 VAL A CB  1 
ATOM   1184 C CG1 . VAL A 1 150 ? 16.48505 -24.54954 15.65992  1.000 41.75968  ? 150 VAL A CG1 1 
ATOM   1185 C CG2 . VAL A 1 150 ? 16.68708 -22.13861 16.32634  1.000 37.59826  ? 150 VAL A CG2 1 
ATOM   1186 N N   . VAL A 1 151 ? 13.10989 -25.30643 16.09471  1.000 35.21974  ? 151 VAL A N   1 
ATOM   1187 C CA  . VAL A 1 151 ? 12.45398 -26.55574 16.47985  1.000 37.02669  ? 151 VAL A CA  1 
ATOM   1188 C C   . VAL A 1 151 ? 13.35338 -27.72163 16.08539  1.000 41.87114  ? 151 VAL A C   1 
ATOM   1189 O O   . VAL A 1 151 ? 13.71607 -27.87572 14.91390  1.000 41.27985  ? 151 VAL A O   1 
ATOM   1190 C CB  . VAL A 1 151 ? 11.06507 -26.70690 15.84029  1.000 39.57198  ? 151 VAL A CB  1 
ATOM   1191 C CG1 . VAL A 1 151 ? 10.35975 -27.95043 16.37599  1.000 38.16307  ? 151 VAL A CG1 1 
ATOM   1192 C CG2 . VAL A 1 151 ? 10.24008 -25.49623 16.10917  1.000 36.65739  ? 151 VAL A CG2 1 
ATOM   1193 N N   . THR A 1 152 ? 13.68730 -28.55101 17.07622  1.000 35.79998  ? 152 THR A N   1 
ATOM   1194 C CA  . THR A 1 152 ? 14.58965 -29.68062 16.90827  1.000 36.35300  ? 152 THR A CA  1 
ATOM   1195 C C   . THR A 1 152 ? 14.01124 -30.95793 17.51175  1.000 43.48017  ? 152 THR A C   1 
ATOM   1196 O O   . THR A 1 152 ? 13.16745 -30.92886 18.41467  1.000 43.15969  ? 152 THR A O   1 
ATOM   1197 C CB  . THR A 1 152 ? 15.96685 -29.42687 17.56038  1.000 39.68216  ? 152 THR A CB  1 
ATOM   1198 O OG1 . THR A 1 152 ? 15.82134 -29.19650 18.97501  1.000 37.61223  ? 152 THR A OG1 1 
ATOM   1199 C CG2 . THR A 1 152 ? 16.63310 -28.23337 16.93488  1.000 33.43133  ? 152 THR A CG2 1 
ATOM   1200 N N   . THR A 1 153 ? 14.44502 -32.08033 16.94479  1.000 40.80065  ? 153 THR A N   1 
ATOM   1201 C CA  . THR A 1 153 ? 14.60253 -33.35478 17.62871  1.000 44.79419  ? 153 THR A CA  1 
ATOM   1202 C C   . THR A 1 153 ? 16.09171 -33.64536 17.64356  1.000 53.48208  ? 153 THR A C   1 
ATOM   1203 O O   . THR A 1 153 ? 16.88460 -32.89082 17.07467  1.000 56.71347  ? 153 THR A O   1 
ATOM   1204 C CB  . THR A 1 153 ? 13.85592 -34.47645 16.92010  1.000 44.20811  ? 153 THR A CB  1 
ATOM   1205 O OG1 . THR A 1 153 ? 14.39896 -34.60243 15.59787  1.000 46.35780  ? 153 THR A OG1 1 
ATOM   1206 C CG2 . THR A 1 153 ? 12.35807 -34.17539 16.88437  1.000 41.94810  ? 153 THR A CG2 1 
ATOM   1207 N N   . THR A 1 154 ? 16.49088 -34.74988 18.26432  1.000 48.62227  ? 154 THR A N   1 
ATOM   1208 C CA  . THR A 1 154 ? 17.90681 -35.07527 18.18934  1.000 50.92418  ? 154 THR A CA  1 
ATOM   1209 C C   . THR A 1 154 ? 18.30137 -35.32123 16.73691  1.000 48.97597  ? 154 THR A C   1 
ATOM   1210 O O   . THR A 1 154 ? 17.60619 -36.01964 15.98823  1.000 50.75137  ? 154 THR A O   1 
ATOM   1211 C CB  . THR A 1 154 ? 18.26650 -36.29487 19.03857  1.000 53.02126  ? 154 THR A CB  1 
ATOM   1212 O OG1 . THR A 1 154 ? 17.92941 -36.05631 20.41215  1.000 58.17959  ? 154 THR A OG1 1 
ATOM   1213 C CG2 . THR A 1 154 ? 19.78716 -36.56128 18.92328  1.000 51.49368  ? 154 THR A CG2 1 
ATOM   1214 N N   . GLY A 1 155 ? 19.43517 -34.73793 16.34549  1.000 50.19455  ? 155 GLY A N   1 
ATOM   1215 C CA  . GLY A 1 155 ? 19.99068 -34.88380 15.02457  1.000 50.37137  ? 155 GLY A CA  1 
ATOM   1216 C C   . GLY A 1 155 ? 19.22464 -34.21482 13.91027  1.000 45.57345  ? 155 GLY A C   1 
ATOM   1217 O O   . GLY A 1 155 ? 19.65171 -34.32608 12.75676  1.000 53.94646  ? 155 GLY A O   1 
ATOM   1218 N N   . LYS A 1 156 ? 18.11494 -33.52972 14.19226  1.000 41.29579  ? 156 LYS A N   1 
ATOM   1219 C CA  . LYS A 1 156 ? 17.38405 -32.87283 13.11581  1.000 43.89747  ? 156 LYS A CA  1 
ATOM   1220 C C   . LYS A 1 156 ? 16.94942 -31.46289 13.50256  1.000 46.03245  ? 156 LYS A C   1 
ATOM   1221 O O   . LYS A 1 156 ? 16.34749 -31.25729 14.56137  1.000 39.95692  ? 156 LYS A O   1 
ATOM   1222 C CB  . LYS A 1 156 ? 16.16592 -33.70759 12.70758  1.000 45.95759  ? 156 LYS A CB  1 
ATOM   1223 C CG  . LYS A 1 156 ? 16.52839 -35.08471 12.15175  1.000 44.65373  ? 156 LYS A CG  1 
ATOM   1224 C CD  . LYS A 1 156 ? 16.89464 -34.99473 10.67411  1.000 50.34963  ? 156 LYS A CD  1 
ATOM   1225 C CE  . LYS A 1 156 ? 16.83707 -36.34838 9.99042   1.000 56.78039  ? 156 LYS A CE  1 
ATOM   1226 N NZ  . LYS A 1 156 ? 18.20712 -36.95340 9.90912   1.000 64.63400  ? 156 LYS A NZ  1 
ATOM   1227 N N   . VAL A 1 157 ? 17.24386 -30.50140 12.63464  1.000 41.32054  ? 157 VAL A N   1 
ATOM   1228 C CA  . VAL A 1 157 ? 16.71532 -29.14687 12.74407  1.000 36.53890  ? 157 VAL A CA  1 
ATOM   1229 C C   . VAL A 1 157 ? 15.55736 -29.05980 11.75626  1.000 44.24423  ? 157 VAL A C   1 
ATOM   1230 O O   . VAL A 1 157 ? 15.77191 -29.10665 10.54164  1.000 41.09625  ? 157 VAL A O   1 
ATOM   1231 C CB  . VAL A 1 157 ? 17.78761 -28.09245 12.44947  1.000 38.73250  ? 157 VAL A CB  1 
ATOM   1232 C CG1 . VAL A 1 157 ? 17.21643 -26.67121 12.61039  1.000 37.37476  ? 157 VAL A CG1 1 
ATOM   1233 C CG2 . VAL A 1 157 ? 19.00730 -28.32476 13.33981  1.000 43.90633  ? 157 VAL A CG2 1 
ATOM   1234 N N   . ILE A 1 158 ? 14.32359 -28.94689 12.26350  1.000 35.34555  ? 158 ILE A N   1 
ATOM   1235 C CA  . ILE A 1 158 ? 13.15013 -29.24250 11.45375  1.000 38.64798  ? 158 ILE A CA  1 
ATOM   1236 C C   . ILE A 1 158 ? 12.31362 -28.01429 11.09596  1.000 38.59662  ? 158 ILE A C   1 
ATOM   1237 O O   . ILE A 1 158 ? 11.48222 -28.10397 10.18192  1.000 37.84824  ? 158 ILE A O   1 
ATOM   1238 C CB  . ILE A 1 158 ? 12.24631 -30.31699 12.10743  1.000 44.79545  ? 158 ILE A CB  1 
ATOM   1239 C CG1 . ILE A 1 158 ? 11.48906 -29.76312 13.32652  1.000 41.13115  ? 158 ILE A CG1 1 
ATOM   1240 C CG2 . ILE A 1 158 ? 13.05556 -31.55673 12.52086  1.000 42.19635  ? 158 ILE A CG2 1 
ATOM   1241 C CD1 . ILE A 1 158 ? 10.43584 -30.71796 13.89177  1.000 36.08149  ? 158 ILE A CD1 1 
ATOM   1242 N N   . GLY A 1 159 ? 12.49653 -26.88647 11.77021  1.000 40.08664  ? 159 GLY A N   1 
ATOM   1243 C CA  . GLY A 1 159 ? 11.73420 -25.71232 11.38421  1.000 38.89080  ? 159 GLY A CA  1 
ATOM   1244 C C   . GLY A 1 159 ? 12.03269 -24.55497 12.30585  1.000 40.60383  ? 159 GLY A C   1 
ATOM   1245 O O   . GLY A 1 159 ? 12.80994 -24.68051 13.25739  1.000 36.13670  ? 159 GLY A O   1 
ATOM   1246 N N   . ILE A 1 160 ? 11.39022 -23.41448 12.01959  1.000 38.54649  ? 160 ILE A N   1 
ATOM   1247 C CA  . ILE A 1 160 ? 11.49217 -22.22357 12.85678  1.000 35.21043  ? 160 ILE A CA  1 
ATOM   1248 C C   . ILE A 1 160 ? 10.08588 -21.73864 13.15662  1.000 36.79140  ? 160 ILE A C   1 
ATOM   1249 O O   . ILE A 1 160 ? 9.18169  -21.88478 12.32509  1.000 35.60137  ? 160 ILE A O   1 
ATOM   1250 C CB  . ILE A 1 160 ? 12.35140 -21.10672 12.22390  1.000 40.76400  ? 160 ILE A CB  1 
ATOM   1251 C CG1 . ILE A 1 160 ? 11.77058 -20.64545 10.87833  1.000 43.30606  ? 160 ILE A CG1 1 
ATOM   1252 C CG2 . ILE A 1 160 ? 13.77851 -21.62643 12.06178  1.000 36.42939  ? 160 ILE A CG2 1 
ATOM   1253 C CD1 . ILE A 1 160 ? 12.33570 -19.32121 10.35605  1.000 39.27338  ? 160 ILE A CD1 1 
ATOM   1254 N N   . HIS A 1 161 ? 9.88899  -21.25695 14.37432  1.000 39.68220  ? 161 HIS A N   1 
ATOM   1255 C CA  . HIS A 1 161 ? 8.56122  -20.92732 14.86876  1.000 35.01141  ? 161 HIS A CA  1 
ATOM   1256 C C   . HIS A 1 161 ? 8.04039  -19.62429 14.24748  1.000 38.57587  ? 161 HIS A C   1 
ATOM   1257 O O   . HIS A 1 161 ? 8.77299  -18.63539 14.14289  1.000 37.05727  ? 161 HIS A O   1 
ATOM   1258 C CB  . HIS A 1 161 ? 8.62821  -20.88522 16.40274  1.000 35.72000  ? 161 HIS A CB  1 
ATOM   1259 C CG  . HIS A 1 161 ? 7.31147  -20.62968 17.04587  1.000 36.77851  ? 161 HIS A CG  1 
ATOM   1260 N ND1 . HIS A 1 161 ? 6.75285  -19.37510 17.07610  1.000 46.17671  ? 161 HIS A ND1 1 
ATOM   1261 C CD2 . HIS A 1 161 ? 6.34237  -21.48177 17.44451  1.000 37.41996  ? 161 HIS A CD2 1 
ATOM   1262 C CE1 . HIS A 1 161 ? 5.56248  -19.44445 17.64056  1.000 34.19391  ? 161 HIS A CE1 1 
ATOM   1263 N NE2 . HIS A 1 161 ? 5.27745  -20.71704 17.84830  1.000 42.61214  ? 161 HIS A NE2 1 
ATOM   1264 N N   . VAL A 1 162 ? 6.78506  -19.64873 13.80423  1.000 36.39448  ? 162 VAL A N   1 
ATOM   1265 C CA  . VAL A 1 162 ? 6.22099  -18.51125 13.07513  1.000 35.49089  ? 162 VAL A CA  1 
ATOM   1266 C C   . VAL A 1 162 ? 4.87521  -18.04679 13.60386  1.000 43.11946  ? 162 VAL A C   1 
ATOM   1267 O O   . VAL A 1 162 ? 4.45630  -16.92368 13.26274  1.000 41.30356  ? 162 VAL A O   1 
ATOM   1268 C CB  . VAL A 1 162 ? 6.12579  -18.82277 11.56509  1.000 38.58248  ? 162 VAL A CB  1 
ATOM   1269 C CG1 . VAL A 1 162 ? 7.50042  -19.13692 11.04340  1.000 34.88715  ? 162 VAL A CG1 1 
ATOM   1270 C CG2 . VAL A 1 162 ? 5.14490  -19.98659 11.27286  1.000 36.93962  ? 162 VAL A CG2 1 
ATOM   1271 N N   . GLY A 1 163 ? 4.15127  -18.82297 14.40952  1.000 47.23502  ? 163 GLY A N   1 
ATOM   1272 C CA  . GLY A 1 163 ? 2.84185  -18.37088 14.85652  1.000 45.09354  ? 163 GLY A CA  1 
ATOM   1273 C C   . GLY A 1 163 ? 2.24107  -19.29763 15.89123  1.000 45.60738  ? 163 GLY A C   1 
ATOM   1274 O O   . GLY A 1 163 ? 2.76880  -20.37429 16.18042  1.000 41.58222  ? 163 GLY A O   1 
ATOM   1275 N N   . GLY A 1 164 ? 1.09617  -18.87858 16.43016  1.000 45.29908  ? 164 GLY A N   1 
ATOM   1276 C CA  . GLY A 1 164 ? 0.41673  -19.63813 17.46560  1.000 48.47148  ? 164 GLY A CA  1 
ATOM   1277 C C   . GLY A 1 164 ? -0.91637 -19.01730 17.82384  1.000 47.53247  ? 164 GLY A C   1 
ATOM   1278 O O   . GLY A 1 164 ? -1.04024 -17.79183 17.87763  1.000 53.15433  ? 164 GLY A O   1 
ATOM   1279 N N   . ASN A 1 165 ? -1.92603 -19.84744 18.05535  1.000 49.02113  ? 165 ASN A N   1 
ATOM   1280 C CA  . ASN A 1 165 ? -3.29108 -19.38105 18.24472  1.000 47.51923  ? 165 ASN A CA  1 
ATOM   1281 C C   . ASN A 1 165 ? -3.71032 -19.37919 19.70590  1.000 52.33272  ? 165 ASN A C   1 
ATOM   1282 O O   . ASN A 1 165 ? -4.88998 -19.17619 20.00026  1.000 51.05871  ? 165 ASN A O   1 
ATOM   1283 C CB  . ASN A 1 165 ? -4.25414 -20.25693 17.44953  1.000 47.37154  ? 165 ASN A CB  1 
ATOM   1284 C CG  . ASN A 1 165 ? -4.20423 -21.69914 17.90379  1.000 54.43052  ? 165 ASN A CG  1 
ATOM   1285 O OD1 . ASN A 1 165 ? -3.62760 -22.00970 18.96015  1.000 54.76366  ? 165 ASN A OD1 1 
ATOM   1286 N ND2 . ASN A 1 165 ? -4.79415 -22.59326 17.11412  1.000 55.99387  ? 165 ASN A ND2 1 
ATOM   1287 N N   . GLY A 1 166 ? -2.78083 -19.63284 20.63064  1.000 52.61852  ? 166 GLY A N   1 
ATOM   1288 C CA  . GLY A 1 166 ? -3.06072 -19.69247 22.04969  1.000 51.91032  ? 166 GLY A CA  1 
ATOM   1289 C C   . GLY A 1 166 ? -3.02738 -21.09972 22.61310  1.000 53.79719  ? 166 GLY A C   1 
ATOM   1290 O O   . GLY A 1 166 ? -2.73953 -21.27736 23.80170  1.000 55.18818  ? 166 GLY A O   1 
ATOM   1291 N N   . ALA A 1 167 ? -3.32717 -22.09970 21.78657  1.000 48.12919  ? 167 ALA A N   1 
ATOM   1292 C CA  . ALA A 1 167 ? -3.27969 -23.49959 22.18647  1.000 51.44019  ? 167 ALA A CA  1 
ATOM   1293 C C   . ALA A 1 167 ? -2.18797 -24.27432 21.46536  1.000 51.99646  ? 167 ALA A C   1 
ATOM   1294 O O   . ALA A 1 167 ? -1.43205 -25.00965 22.10768  1.000 53.48949  ? 167 ALA A O   1 
ATOM   1295 C CB  . ALA A 1 167 ? -4.63526 -24.17582 21.93840  1.000 52.43983  ? 167 ALA A CB  1 
ATOM   1296 N N   . GLN A 1 168 ? -2.10123 -24.13781 20.14187  1.000 53.03119  ? 168 GLN A N   1 
ATOM   1297 C CA  . GLN A 1 168 ? -1.03357 -24.72843 19.34716  1.000 52.11890  ? 168 GLN A CA  1 
ATOM   1298 C C   . GLN A 1 168 ? -0.02240 -23.67722 18.91605  1.000 45.15636  ? 168 GLN A C   1 
ATOM   1299 O O   . GLN A 1 168 ? -0.30113 -22.47548 18.88170  1.000 42.14141  ? 168 GLN A O   1 
ATOM   1300 C CB  . GLN A 1 168 ? -1.58579 -25.43956 18.10848  1.000 51.58994  ? 168 GLN A CB  1 
ATOM   1301 C CG  . GLN A 1 168 ? -2.70121 -26.43278 18.40135  1.000 57.10334  ? 168 GLN A CG  1 
ATOM   1302 C CD  . GLN A 1 168 ? -4.01617 -25.95558 17.87335  1.000 67.14924  ? 168 GLN A CD  1 
ATOM   1303 O OE1 . GLN A 1 168 ? -4.68607 -25.14167 18.51902  1.000 65.23043  ? 168 GLN A OE1 1 
ATOM   1304 N NE2 . GLN A 1 168 ? -4.35917 -26.37851 16.64662  1.000 65.46817  ? 168 GLN A NE2 1 
ATOM   1305 N N   . GLY A 1 169 ? 1.18579  -24.15752 18.63122  1.000 42.05400  ? 169 GLY A N   1 
ATOM   1306 C CA  . GLY A 1 169 ? 2.18817  -23.38066 17.93233  1.000 46.97885  ? 169 GLY A CA  1 
ATOM   1307 C C   . GLY A 1 169 ? 2.47227  -23.91341 16.53674  1.000 44.07728  ? 169 GLY A C   1 
ATOM   1308 O O   . GLY A 1 169 ? 2.16734  -25.07322 16.22495  1.000 42.99338  ? 169 GLY A O   1 
ATOM   1309 N N   . PHE A 1 170 ? 3.09301  -23.07770 15.69935  1.000 43.23461  ? 170 PHE A N   1 
ATOM   1310 C CA  . PHE A 1 170 ? 3.28579  -23.36987 14.28673  1.000 40.85453  ? 170 PHE A CA  1 
ATOM   1311 C C   . PHE A 1 170 ? 4.67906  -22.96629 13.84142  1.000 41.44848  ? 170 PHE A C   1 
ATOM   1312 O O   . PHE A 1 170 ? 5.12930  -21.85001 14.11684  1.000 34.86998  ? 170 PHE A O   1 
ATOM   1313 C CB  . PHE A 1 170 ? 2.23291  -22.64855 13.45884  1.000 40.42476  ? 170 PHE A CB  1 
ATOM   1314 C CG  . PHE A 1 170 ? 0.85095  -23.08154 13.79491  1.000 43.17157  ? 170 PHE A CG  1 
ATOM   1315 C CD1 . PHE A 1 170 ? 0.40208  -24.33482 13.40880  1.000 40.84230  ? 170 PHE A CD1 1 
ATOM   1316 C CD2 . PHE A 1 170 ? 0.00962  -22.26048 14.51927  1.000 44.08222  ? 170 PHE A CD2 1 
ATOM   1317 C CE1 . PHE A 1 170 ? -0.86868 -24.75780 13.72230  1.000 45.32515  ? 170 PHE A CE1 1 
ATOM   1318 C CE2 . PHE A 1 170 ? -1.26408 -22.67812 14.85208  1.000 48.68266  ? 170 PHE A CE2 1 
ATOM   1319 C CZ  . PHE A 1 170 ? -1.70633 -23.93110 14.44807  1.000 52.78329  ? 170 PHE A CZ  1 
ATOM   1320 N N   . ALA A 1 171 ? 5.34521  -23.87457 13.14241  1.000 39.45422  ? 171 ALA A N   1 
ATOM   1321 C CA  . ALA A 1 171 ? 6.66756  -23.62672 12.60296  1.000 37.47520  ? 171 ALA A CA  1 
ATOM   1322 C C   . ALA A 1 171 ? 6.63153  -23.80010 11.09274  1.000 39.47712  ? 171 ALA A C   1 
ATOM   1323 O O   . ALA A 1 171 ? 5.82077  -24.57229 10.57128  1.000 39.59614  ? 171 ALA A O   1 
ATOM   1324 C CB  . ALA A 1 171 ? 7.68569  -24.58448 13.22109  1.000 36.82332  ? 171 ALA A CB  1 
ATOM   1325 N N   . ALA A 1 172 ? 7.49896  -23.07234 10.38844  1.000 35.97796  ? 172 ALA A N   1 
ATOM   1326 C CA  . ALA A 1 172 ? 7.69838  -23.29901 8.96622   1.000 40.36909  ? 172 ALA A CA  1 
ATOM   1327 C C   . ALA A 1 172 ? 8.78351  -24.35485 8.81237   1.000 38.87067  ? 172 ALA A C   1 
ATOM   1328 O O   . ALA A 1 172 ? 9.80559  -24.29170 9.49794   1.000 34.32436  ? 172 ALA A O   1 
ATOM   1329 C CB  . ALA A 1 172 ? 8.08767  -22.00570 8.25116   1.000 35.93797  ? 172 ALA A CB  1 
ATOM   1330 N N   . MET A 1 173 ? 8.53515  -25.33848 7.95313   1.000 42.36255  ? 173 MET A N   1 
ATOM   1331 C CA  . MET A 1 173 ? 9.49360  -26.39853 7.67925   1.000 37.43686  ? 173 MET A CA  1 
ATOM   1332 C C   . MET A 1 173 ? 10.82254 -25.86841 7.16924   1.000 43.23843  ? 173 MET A C   1 
ATOM   1333 O O   . MET A 1 173 ? 10.87006 -24.89190 6.41572   1.000 39.58928  ? 173 MET A O   1 
ATOM   1334 C CB  . MET A 1 173 ? 8.91671  -27.32805 6.63485   1.000 43.39343  ? 173 MET A CB  1 
ATOM   1335 C CG  . MET A 1 173 ? 8.04667  -28.36795 7.19292   1.000 45.29196  ? 173 MET A CG  1 
ATOM   1336 S SD  . MET A 1 173 ? 7.72442  -29.58941 5.90540   1.000 45.75439  ? 173 MET A SD  1 
ATOM   1337 C CE  . MET A 1 173 ? 6.12651  -30.00334 6.56202   1.000 42.46880  ? 173 MET A CE  1 
ATOM   1338 N N   . LEU A 1 174 ? 11.89511 -26.53465 7.56754   1.000 35.58143  ? 174 LEU A N   1 
ATOM   1339 C CA  . LEU A 1 174 ? 13.18698 -26.39576 6.92057   1.000 38.64789  ? 174 LEU A CA  1 
ATOM   1340 C C   . LEU A 1 174 ? 13.46136 -27.70333 6.20991   1.000 43.94303  ? 174 LEU A C   1 
ATOM   1341 O O   . LEU A 1 174 ? 13.31639 -28.77065 6.81226   1.000 36.23271  ? 174 LEU A O   1 
ATOM   1342 C CB  . LEU A 1 174 ? 14.29786 -26.09641 7.92071   1.000 37.19541  ? 174 LEU A CB  1 
ATOM   1343 C CG  . LEU A 1 174 ? 14.24746 -24.73234 8.59227   1.000 43.36083  ? 174 LEU A CG  1 
ATOM   1344 C CD1 . LEU A 1 174 ? 15.29260 -24.66236 9.72701   1.000 37.61092  ? 174 LEU A CD1 1 
ATOM   1345 C CD2 . LEU A 1 174 ? 14.48173 -23.65391 7.58570   1.000 41.15082  ? 174 LEU A CD2 1 
ATOM   1346 N N   . LEU A 1 175 ? 13.80534 -27.62555 4.92770   1.000 39.88886  ? 175 LEU A N   1 
ATOM   1347 C CA  . LEU A 1 175 ? 14.16732 -28.79107 4.13394   1.000 39.75621  ? 175 LEU A CA  1 
ATOM   1348 C C   . LEU A 1 175 ? 15.59014 -28.63880 3.61778   1.000 35.39182  ? 175 LEU A C   1 
ATOM   1349 O O   . LEU A 1 175 ? 16.00082 -27.54034 3.23697   1.000 39.43218  ? 175 LEU A O   1 
ATOM   1350 C CB  . LEU A 1 175 ? 13.20928 -28.97681 2.95118   1.000 41.46423  ? 175 LEU A CB  1 
ATOM   1351 C CG  . LEU A 1 175 ? 11.75538 -29.24990 3.35169   1.000 38.73002  ? 175 LEU A CG  1 
ATOM   1352 C CD1 . LEU A 1 175 ? 10.89341 -29.29070 2.07590   1.000 49.26637  ? 175 LEU A CD1 1 
ATOM   1353 C CD2 . LEU A 1 175 ? 11.66821 -30.54211 4.12126   1.000 40.35372  ? 175 LEU A CD2 1 
ATOM   1354 N N   . HIS A 1 176 ? 16.31989 -29.75408 3.56106   1.000 32.55933  ? 176 HIS A N   1 
ATOM   1355 C CA  . HIS A 1 176 ? 17.70364 -29.70362 3.09707   1.000 37.40014  ? 176 HIS A CA  1 
ATOM   1356 C C   . HIS A 1 176 ? 17.82367 -29.03807 1.72746   1.000 40.77063  ? 176 HIS A C   1 
ATOM   1357 O O   . HIS A 1 176 ? 18.74899 -28.25416 1.48866   1.000 40.23911  ? 176 HIS A O   1 
ATOM   1358 C CB  . HIS A 1 176 ? 18.29013 -31.11526 3.07032   1.000 38.53663  ? 176 HIS A CB  1 
ATOM   1359 C CG  . HIS A 1 176 ? 19.67983 -31.18506 2.51388   1.000 49.32119  ? 176 HIS A CG  1 
ATOM   1360 N ND1 . HIS A 1 176 ? 20.80220 -31.23370 3.31562   1.000 50.02985  ? 176 HIS A ND1 1 
ATOM   1361 C CD2 . HIS A 1 176 ? 20.12586 -31.25779 1.24035   1.000 44.11524  ? 176 HIS A CD2 1 
ATOM   1362 C CE1 . HIS A 1 176 ? 21.87844 -31.29895 2.55446   1.000 43.18868  ? 176 HIS A CE1 1 
ATOM   1363 N NE2 . HIS A 1 176 ? 21.49799 -31.32670 1.29014   1.000 48.13600  ? 176 HIS A NE2 1 
ATOM   1364 N N   . SER A 1 177 ? 16.90877 -29.32776 0.81138   1.000 39.23966  ? 177 SER A N   1 
ATOM   1365 C CA  . SER A 1 177 ? 17.10821 -28.78184 -0.52406  1.000 40.43680  ? 177 SER A CA  1 
ATOM   1366 C C   . SER A 1 177 ? 16.89946 -27.26601 -0.59288  1.000 44.12470  ? 177 SER A C   1 
ATOM   1367 O O   . SER A 1 177 ? 17.11853 -26.68320 -1.66153  1.000 39.10271  ? 177 SER A O   1 
ATOM   1368 C CB  . SER A 1 177 ? 16.18905 -29.50403 -1.50867  1.000 40.30679  ? 177 SER A CB  1 
ATOM   1369 O OG  . SER A 1 177 ? 14.84372 -29.12555 -1.29620  1.000 39.82404  ? 177 SER A OG  1 
ATOM   1370 N N   . TYR A 1 178 ? 16.48571 -26.60607 0.49482   1.000 39.95882  ? 178 TYR A N   1 
ATOM   1371 C CA  . TYR A 1 178 ? 16.43888 -25.14861 0.47320   1.000 37.08731  ? 178 TYR A CA  1 
ATOM   1372 C C   . TYR A 1 178 ? 17.83045 -24.52980 0.40094   1.000 37.49046  ? 178 TYR A C   1 
ATOM   1373 O O   . TYR A 1 178 ? 17.93754 -23.34519 0.08346   1.000 40.13906  ? 178 TYR A O   1 
ATOM   1374 C CB  . TYR A 1 178 ? 15.74993 -24.58109 1.72248   1.000 40.21639  ? 178 TYR A CB  1 
ATOM   1375 C CG  . TYR A 1 178 ? 14.25943 -24.83011 1.86860   1.000 42.41448  ? 178 TYR A CG  1 
ATOM   1376 C CD1 . TYR A 1 178 ? 13.52521 -25.43387 0.86719   1.000 39.51546  ? 178 TYR A CD1 1 
ATOM   1377 C CD2 . TYR A 1 178 ? 13.60147 -24.50631 3.05073   1.000 38.92810  ? 178 TYR A CD2 1 
ATOM   1378 C CE1 . TYR A 1 178 ? 12.15065 -25.65503 1.01554   1.000 43.05915  ? 178 TYR A CE1 1 
ATOM   1379 C CE2 . TYR A 1 178 ? 12.24881 -24.74301 3.21823   1.000 35.91540  ? 178 TYR A CE2 1 
ATOM   1380 C CZ  . TYR A 1 178 ? 11.52193 -25.32188 2.20293   1.000 44.90843  ? 178 TYR A CZ  1 
ATOM   1381 O OH  . TYR A 1 178 ? 10.16398 -25.54179 2.37124   1.000 36.69747  ? 178 TYR A OH  1 
ATOM   1382 N N   . PHE A 1 179 ? 18.89866 -25.27055 0.73587   1.000 39.24366  ? 179 PHE A N   1 
ATOM   1383 C CA  . PHE A 1 179 ? 20.22417 -24.66983 0.92431   1.000 39.94435  ? 179 PHE A CA  1 
ATOM   1384 C C   . PHE A 1 179 ? 21.33649 -25.29322 0.08009   1.000 45.85184  ? 179 PHE A C   1 
ATOM   1385 O O   . PHE A 1 179 ? 22.51520 -25.11019 0.39436   1.000 46.55705  ? 179 PHE A O   1 
ATOM   1386 C CB  . PHE A 1 179 ? 20.61959 -24.73802 2.39602   1.000 38.78340  ? 179 PHE A CB  1 
ATOM   1387 C CG  . PHE A 1 179 ? 19.61078 -24.13332 3.29980   1.000 40.76852  ? 179 PHE A CG  1 
ATOM   1388 C CD1 . PHE A 1 179 ? 19.64153 -22.78154 3.58312   1.000 43.68374  ? 179 PHE A CD1 1 
ATOM   1389 C CD2 . PHE A 1 179 ? 18.58414 -24.90235 3.82170   1.000 42.55373  ? 179 PHE A CD2 1 
ATOM   1390 C CE1 . PHE A 1 179 ? 18.68211 -22.21172 4.42196   1.000 41.28267  ? 179 PHE A CE1 1 
ATOM   1391 C CE2 . PHE A 1 179 ? 17.61928 -24.34111 4.65718   1.000 36.32037  ? 179 PHE A CE2 1 
ATOM   1392 C CZ  . PHE A 1 179 ? 17.66679 -22.99549 4.95071   1.000 37.73151  ? 179 PHE A CZ  1 
ATOM   1393 N N   . THR A 1 180 ? 21.01865 -26.04695 -0.95749  1.000 50.04458  ? 180 THR A N   1 
ATOM   1394 C CA  . THR A 1 180 ? 22.06118 -26.61375 -1.80017  1.000 61.22760  ? 180 THR A CA  1 
ATOM   1395 C C   . THR A 1 180 ? 22.48116 -25.61231 -2.87881  1.000 62.94831  ? 180 THR A C   1 
ATOM   1396 O O   . THR A 1 180 ? 21.66159 -24.83447 -3.37406  1.000 65.81637  ? 180 THR A O   1 
ATOM   1397 C CB  . THR A 1 180 ? 21.56273 -27.89717 -2.46381  1.000 56.75598  ? 180 THR A CB  1 
ATOM   1398 O OG1 . THR A 1 180 ? 20.31441 -27.61347 -3.09729  1.000 60.21933  ? 180 THR A OG1 1 
ATOM   1399 C CG2 . THR A 1 180 ? 21.35301 -29.01585 -1.45363  1.000 45.93867  ? 180 THR A CG2 1 
ATOM   1400 N N   . ASP A 1 181 ? 23.76889 -25.64533 -3.24799  1.000 72.97639  ? 181 ASP A N   1 
ATOM   1401 C CA  . ASP A 1 181 ? 24.24517 -24.92559 -4.43370  1.000 84.47471  ? 181 ASP A CA  1 
ATOM   1402 C C   . ASP A 1 181 ? 23.55801 -25.43589 -5.70481  1.000 88.99975  ? 181 ASP A C   1 
ATOM   1403 O O   . ASP A 1 181 ? 23.64466 -26.62471 -6.02692  1.000 92.73463  ? 181 ASP A O   1 
ATOM   1404 C CB  . ASP A 1 181 ? 25.76067 -25.08016 -4.56738  1.000 79.69513  ? 181 ASP A CB  1 
ATOM   1405 N N   . THR A 1 182 ? 22.90898 -24.53256 -6.45724  1.000 97.59035  ? 182 THR A N   1 
ATOM   1406 C CA  . THR A 1 182 ? 22.04824 -24.96812 -7.56343  1.000 105.02020 ? 182 THR A CA  1 
ATOM   1407 C C   . THR A 1 182 ? 22.35000 -24.33421 -8.93645  1.000 115.29514 ? 182 THR A C   1 
ATOM   1408 O O   . THR A 1 182 ? 23.32481 -24.72831 -9.59221  1.000 109.33141 ? 182 THR A O   1 
ATOM   1409 C CB  . THR A 1 182 ? 20.57061 -24.77460 -7.14369  1.000 108.34907 ? 182 THR A CB  1 
ATOM   1410 O OG1 . THR A 1 182 ? 19.71402 -25.66480 -7.88332  1.000 109.49088 ? 182 THR A OG1 1 
ATOM   1411 C CG2 . THR A 1 182 ? 20.08124 -23.29891 -7.19576  1.000 109.57644 ? 182 THR A CG2 1 
ATOM   1412 N N   . ALA A 1 183 ? 21.51712 -23.39882 -9.40555  1.000 117.75139 ? 183 ALA A N   1 
ATOM   1413 C CA  . ALA A 1 183 ? 21.54086 -22.88079 -10.77470 1.000 114.58515 ? 183 ALA A CA  1 
ATOM   1414 C C   . ALA A 1 183 ? 21.72005 -21.35765 -10.77187 1.000 110.43872 ? 183 ALA A C   1 
ATOM   1415 O O   . ALA A 1 183 ? 21.76686 -20.71119 -9.71716  1.000 103.78397 ? 183 ALA A O   1 
ATOM   1416 C CB  . ALA A 1 183 ? 20.26537 -23.28303 -11.53052 1.000 103.16195 ? 183 ALA A CB  1 
ATOM   1417 N N   . LYS A 1 184 ? 21.81234 -20.78957 -11.98647 1.000 108.01657 ? 184 LYS A N   1 
ATOM   1418 C CA  . LYS A 1 184 ? 22.03003 -19.35917 -12.21924 1.000 99.82644  ? 184 LYS A CA  1 
ATOM   1419 C C   . LYS A 1 184 ? 20.75431 -18.74714 -12.79721 1.000 92.32494  ? 184 LYS A C   1 
ATOM   1420 O O   . LYS A 1 184 ? 20.45075 -18.94378 -13.97962 1.000 90.64487  ? 184 LYS A O   1 
ATOM   1421 C CB  . LYS A 1 184 ? 23.21449 -19.13763 -13.16293 1.000 85.69870  ? 184 LYS A CB  1 
ATOM   1422 N N   . HIS A 1 185 ? 20.02071 -17.99092 -11.97320 1.000 92.59519  ? 185 HIS A N   1 
ATOM   1423 C CA  . HIS A 1 185 ? 18.72945 -17.42537 -12.36055 1.000 89.07450  ? 185 HIS A CA  1 
ATOM   1424 C C   . HIS A 1 185 ? 18.49896 -16.08548 -11.66133 1.000 78.41705  ? 185 HIS A C   1 
ATOM   1425 O O   . HIS A 1 185 ? 18.99540 -15.84735 -10.55672 1.000 78.73159  ? 185 HIS A O   1 
ATOM   1426 C CB  . HIS A 1 185 ? 17.56711 -18.38745 -12.03768 1.000 94.45309  ? 185 HIS A CB  1 
ATOM   1427 C CG  . HIS A 1 185 ? 17.35022 -18.61779 -10.56656 1.000 100.22492 ? 185 HIS A CG  1 
ATOM   1428 N ND1 . HIS A 1 185 ? 16.12998 -18.42394 -9.95307  1.000 99.97363  ? 185 HIS A ND1 1 
ATOM   1429 C CD2 . HIS A 1 185 ? 18.19449 -19.03649 -9.59150  1.000 105.49976 ? 185 HIS A CD2 1 
ATOM   1430 C CE1 . HIS A 1 185 ? 16.23399 -18.70185 -8.66540  1.000 104.66091 ? 185 HIS A CE1 1 
ATOM   1431 N NE2 . HIS A 1 185 ? 17.47626 -19.07733 -8.41971  1.000 104.84259 ? 185 HIS A NE2 1 
ATOM   1432 N N   . HIS A 1 186 ? 17.70835 -15.22575 -12.31064 1.000 74.26945  ? 186 HIS A N   1 
ATOM   1433 C CA  . HIS A 1 186 ? 17.39808 -13.87603 -11.83162 1.000 63.48821  ? 186 HIS A CA  1 
ATOM   1434 C C   . HIS A 1 186 ? 16.23237 -13.96443 -10.85013 1.000 66.81587  ? 186 HIS A C   1 
ATOM   1435 O O   . HIS A 1 186 ? 15.09441 -14.22046 -11.26193 1.000 66.27582  ? 186 HIS A O   1 
ATOM   1436 C CB  . HIS A 1 186 ? 17.06418 -12.97633 -13.02789 1.000 59.37071  ? 186 HIS A CB  1 
ATOM   1437 C CG  . HIS A 1 186 ? 16.67080 -11.57054 -12.66663 1.000 56.26154  ? 186 HIS A CG  1 
ATOM   1438 N ND1 . HIS A 1 186 ? 17.59066 -10.60365 -12.32069 1.000 55.97114  ? 186 HIS A ND1 1 
ATOM   1439 C CD2 . HIS A 1 186 ? 15.45913 -10.96219 -12.62604 1.000 53.80529  ? 186 HIS A CD2 1 
ATOM   1440 C CE1 . HIS A 1 186 ? 16.96402 -9.47278  -12.05075 1.000 56.45561  ? 186 HIS A CE1 1 
ATOM   1441 N NE2 . HIS A 1 186 ? 15.66938 -9.66140  -12.23468 1.000 60.91297  ? 186 HIS A NE2 1 
ATOM   1442 N N   . HIS A 1 187 ? 16.48788 -13.75500 -9.55161  1.000 67.95391  ? 187 HIS A N   1 
ATOM   1443 C CA  . HIS A 1 187 ? 15.42314 -13.92577 -8.56389  1.000 62.02027  ? 187 HIS A CA  1 
ATOM   1444 C C   . HIS A 1 187 ? 14.85884 -12.63379 -7.97203  1.000 58.11021  ? 187 HIS A C   1 
ATOM   1445 O O   . HIS A 1 187 ? 13.97616 -12.71903 -7.11388  1.000 67.13413  ? 187 HIS A O   1 
ATOM   1446 C CB  . HIS A 1 187 ? 15.85873 -14.85122 -7.41320  1.000 71.48457  ? 187 HIS A CB  1 
ATOM   1447 C CG  . HIS A 1 187 ? 17.27189 -14.66770 -6.95648  1.000 69.35732  ? 187 HIS A CG  1 
ATOM   1448 N ND1 . HIS A 1 187 ? 17.59055 -14.17828 -5.70735  1.000 73.39244  ? 187 HIS A ND1 1 
ATOM   1449 C CD2 . HIS A 1 187 ? 18.44736 -14.98636 -7.54629  1.000 74.48764  ? 187 HIS A CD2 1 
ATOM   1450 C CE1 . HIS A 1 187 ? 18.90331 -14.15176 -5.57012  1.000 68.74368  ? 187 HIS A CE1 1 
ATOM   1451 N NE2 . HIS A 1 187 ? 19.44688 -14.64451 -6.66833  1.000 74.58983  ? 187 HIS A NE2 1 
ATOM   1452 N N   . HIS A 1 188 ? 15.31527 -11.45165 -8.39331  1.000 55.92343  ? 188 HIS A N   1 
ATOM   1453 C CA  . HIS A 1 188 ? 14.69377 -10.18675 -7.94678  1.000 54.27204  ? 188 HIS A CA  1 
ATOM   1454 C C   . HIS A 1 188 ? 14.28084 -9.29601  -9.12747  1.000 62.35385  ? 188 HIS A C   1 
ATOM   1455 O O   . HIS A 1 188 ? 13.58443 -8.29129  -8.93520  1.000 67.20541  ? 188 HIS A O   1 
ATOM   1456 C CB  . HIS A 1 188 ? 15.63021 -9.38924  -7.00689  1.000 56.37320  ? 188 HIS A CB  1 
ATOM   1457 C CG  . HIS A 1 188 ? 16.15198 -10.18121 -5.83794  1.000 57.20280  ? 188 HIS A CG  1 
ATOM   1458 N ND1 . HIS A 1 188 ? 15.35777 -10.55617 -4.77419  1.000 58.16785  ? 188 HIS A ND1 1 
ATOM   1459 C CD2 . HIS A 1 188 ? 17.38364 -10.68936 -5.57724  1.000 56.41771  ? 188 HIS A CD2 1 
ATOM   1460 C CE1 . HIS A 1 188 ? 16.07501 -11.24949 -3.90797  1.000 49.61549  ? 188 HIS A CE1 1 
ATOM   1461 N NE2 . HIS A 1 188 ? 17.30785 -11.34771 -4.37346  1.000 48.80904  ? 188 HIS A NE2 1 
HETATM 1462 C C7  . UED B 2 .   ? -2.24582 -15.98020 15.39145  1.000 63.38601  ? 201 UED A C7  1 
HETATM 1463 O O8  . UED B 2 .   ? -1.52009 -15.15882 14.51118  1.000 58.45557  ? 201 UED A O8  1 
HETATM 1464 C C9  . UED B 2 .   ? -0.10517 -15.25552 14.52713  1.000 54.27009  ? 201 UED A C9  1 
HETATM 1465 O O10 . UED B 2 .   ? 0.50104  -16.02623 15.18612  1.000 54.60182  ? 201 UED A O10 1 
HETATM 1466 C C1  . UED B 2 .   ? -2.87792 -17.18843 14.68714  1.000 62.19249  ? 201 UED A C1  1 
HETATM 1467 C C2  . UED B 2 .   ? -4.38808 -17.29905 14.46413  1.000 68.19860  ? 201 UED A C2  1 
HETATM 1468 C C3  . UED B 2 .   ? -4.98731 -18.52064 13.76662  1.000 62.02971  ? 201 UED A C3  1 
HETATM 1469 C C4  . UED B 2 .   ? -4.06953 -19.64678 13.29679  1.000 57.71889  ? 201 UED A C4  1 
HETATM 1470 C C5  . UED B 2 .   ? -2.56421 -19.53501 13.53016  1.000 55.74632  ? 201 UED A C5  1 
HETATM 1471 C C6  . UED B 2 .   ? -1.96930 -18.31273 14.22045  1.000 53.56184  ? 201 UED A C6  1 
HETATM 1472 N N11 . UED B 2 .   ? 0.62371  -14.35203 13.64914  1.000 53.11556  ? 201 UED A N11 1 
HETATM 1473 C C12 . UED B 2 .   ? 2.09174  -14.37259 13.53657  1.000 48.76670  ? 201 UED A C12 1 
HETATM 1474 C C17 . UED B 2 .   ? 2.63373  -14.07299 14.92247  1.000 50.96977  ? 201 UED A C17 1 
HETATM 1475 O O18 . UED B 2 .   ? 2.04432  -13.38182 15.63947  1.000 48.89882  ? 201 UED A O18 1 
HETATM 1476 C C13 . UED B 2 .   ? 2.51760  -13.37487 12.51940  1.000 55.84549  ? 201 UED A C13 1 
HETATM 1477 C C14 . UED B 2 .   ? 1.98187  -13.68949 11.11256  1.000 53.90878  ? 201 UED A C14 1 
HETATM 1478 C C15 . UED B 2 .   ? 2.30356  -12.52202 10.06517  1.000 62.36460  ? 201 UED A C15 1 
HETATM 1479 C C16 . UED B 2 .   ? 2.67022  -14.96774 10.58936  1.000 55.26095  ? 201 UED A C16 1 
HETATM 1480 N N19 . UED B 2 .   ? 3.88323  -14.65264 15.35949  1.000 45.98968  ? 201 UED A N19 1 
HETATM 1481 C C20 . UED B 2 .   ? 4.56477  -14.48042 16.64281  1.000 47.20548  ? 201 UED A C20 1 
HETATM 1482 C C21 . UED B 2 .   ? 6.02518  -14.25662 16.39703  1.000 45.22290  ? 201 UED A C21 1 
HETATM 1483 O O22 . UED B 2 .   ? 6.19611  -13.06730 15.66648  1.000 52.39887  ? 201 UED A O22 1 
HETATM 1484 C C24 . UED B 2 .   ? 4.24207  -15.78481 17.46075  1.000 46.44309  ? 201 UED A C24 1 
HETATM 1485 C C25 . UED B 2 .   ? 2.68752  -16.01887 17.70418  1.000 51.17401  ? 201 UED A C25 1 
HETATM 1486 C C26 . UED B 2 .   ? 2.34635  -14.99517 18.35072  1.000 53.64847  ? 201 UED A C26 1 
HETATM 1487 C C27 . UED B 2 .   ? 1.28851  -15.47877 19.57813  1.000 52.83221  ? 201 UED A C27 1 
HETATM 1488 N N28 . UED B 2 .   ? 1.69370  -16.65023 19.84895  1.000 52.02676  ? 201 UED A N28 1 
HETATM 1489 C C29 . UED B 2 .   ? 2.64289  -17.21977 18.77823  1.000 49.41918  ? 201 UED A C29 1 
HETATM 1490 O O30 . UED B 2 .   ? 3.15037  -18.29994 18.80762  1.000 50.12966  ? 201 UED A O30 1 
HETATM 1491 H H1  . UED B 2 .   ? -1.53193 -16.37913 16.08146  1.000 76.06321  ? 201 UED A H1  1 
HETATM 1492 H H2  . UED B 2 .   ? -3.06045 -15.38541 15.74854  1.000 76.06321  ? 201 UED A H2  1 
HETATM 1493 H H3  . UED B 2 .   ? -5.03155 -16.51289 14.80001  1.000 81.83831  ? 201 UED A H3  1 
HETATM 1494 H H4  . UED B 2 .   ? -6.04358 -18.58593 13.60870  1.000 74.43565  ? 201 UED A H4  1 
HETATM 1495 H H5  . UED B 2 .   ? -4.47740 -20.50692 12.80822  1.000 69.26267  ? 201 UED A H5  1 
HETATM 1496 H H6  . UED B 2 .   ? -1.91914 -20.32441 13.20513  1.000 66.89559  ? 201 UED A H6  1 
HETATM 1497 H H7  . UED B 2 .   ? -0.91272 -18.24692 14.37603  1.000 64.27421  ? 201 UED A H7  1 
HETATM 1498 H H8  . UED B 2 .   ? 0.31521  -14.61488 12.73495  1.000 63.73868  ? 201 UED A H8  1 
HETATM 1499 H H9  . UED B 2 .   ? 2.47057  -15.31814 13.20896  1.000 58.52004  ? 201 UED A H9  1 
HETATM 1500 H H10 . UED B 2 .   ? 3.58269  -13.45435 12.45493  1.000 67.01458  ? 201 UED A H10 1 
HETATM 1501 H H11 . UED B 2 .   ? 2.06671  -12.44816 12.80719  1.000 67.01458  ? 201 UED A H11 1 
HETATM 1502 H H12 . UED B 2 .   ? 0.92107  -13.80192 11.19595  1.000 64.69054  ? 201 UED A H12 1 
HETATM 1503 H H13 . UED B 2 .   ? 3.22739  -12.07806 9.75802   1.000 74.83752  ? 201 UED A H13 1 
HETATM 1504 H H14 . UED B 2 .   ? 2.11326  -12.43708 9.01566   1.000 74.83752  ? 201 UED A H14 1 
HETATM 1505 H H15 . UED B 2 .   ? 1.99814  -11.49721 10.02793  1.000 74.83752  ? 201 UED A H15 1 
HETATM 1506 H H16 . UED B 2 .   ? 2.48608  -15.77491 11.26720  1.000 66.31313  ? 201 UED A H16 1 
HETATM 1507 H H17 . UED B 2 .   ? 2.27767  -15.21504 9.62518   1.000 66.31313  ? 201 UED A H17 1 
HETATM 1508 H H18 . UED B 2 .   ? 3.72414  -14.79949 10.51296  1.000 66.31313  ? 201 UED A H18 1 
HETATM 1509 H H19 . UED B 2 .   ? 4.53126  -14.22083 14.73212  1.000 55.18762  ? 201 UED A H19 1 
HETATM 1510 H H20 . UED B 2 .   ? 4.23932  -13.62714 17.20039  1.000 56.64658  ? 201 UED A H20 1 
HETATM 1511 H H21 . UED B 2 .   ? 4.67085  -15.63597 18.42971  1.000 55.73171  ? 201 UED A H21 1 
HETATM 1512 H H22 . UED B 2 .   ? 4.56887  -16.60087 16.85070  1.000 55.73171  ? 201 UED A H22 1 
HETATM 1513 H H23 . UED B 2 .   ? 2.10695  -16.20372 16.82460  1.000 61.40881  ? 201 UED A H23 1 
HETATM 1514 H H24 . UED B 2 .   ? 3.22673  -14.61581 18.82602  1.000 64.37816  ? 201 UED A H24 1 
HETATM 1515 H H25 . UED B 2 .   ? 1.78873  -14.37280 17.68243  1.000 64.37816  ? 201 UED A H25 1 
HETATM 1516 H H26 . UED B 2 .   ? 1.46239  -14.85893 20.43280  1.000 63.39865  ? 201 UED A H26 1 
HETATM 1517 H H27 . UED B 2 .   ? 0.30542  -15.55284 19.16227  1.000 63.39865  ? 201 UED A H27 1 
HETATM 1518 H H28 . UED B 2 .   ? 2.25942  -16.54563 20.66689  1.000 62.43211  ? 201 UED A H28 1 
HETATM 1519 H H29 . UED B 2 .   ? 6.62844  -14.04737 17.25563  1.000 54.26748  ? 201 UED A H29 1 
HETATM 1520 H H31 . UED B 2 .   ? 5.34409  -12.71044 15.40434  1.000 62.87865  ? 201 UED A H31 1 
HETATM 1521 O O   . HOH C 3 .   ? 13.61203 -31.07162 -1.71014  1.000 44.76009  ? 301 HOH A O   1 
HETATM 1522 O O   . HOH C 3 .   ? 32.16638 -22.22912 4.50802   1.000 74.63409  ? 302 HOH A O   1 
HETATM 1523 O O   . HOH C 3 .   ? 31.26173 -10.50450 4.57125   1.000 49.28099  ? 303 HOH A O   1 
HETATM 1524 O O   . HOH C 3 .   ? 15.37077 -26.56724 19.58877  1.000 39.77883  ? 304 HOH A O   1 
HETATM 1525 O O   . HOH C 3 .   ? 12.690   -7.349    -11.056   1.000 68.79831  ? 305 HOH A O   1 
HETATM 1526 O O   . HOH C 3 .   ? 26.79355 -9.34041  15.03972  1.000 48.04066  ? 306 HOH A O   1 
HETATM 1527 O O   . HOH C 3 .   ? 27.79499 -15.33368 9.85924   1.000 41.36050  ? 307 HOH A O   1 
HETATM 1528 O O   . HOH C 3 .   ? 13.77698 -9.77923  23.15108  1.000 48.58775  ? 308 HOH A O   1 
HETATM 1529 O O   . HOH C 3 .   ? 12.35084 -36.41195 8.67252   1.000 42.04677  ? 309 HOH A O   1 
HETATM 1530 O O   . HOH C 3 .   ? 19.62369 -34.74019 8.28585   1.000 58.02194  ? 310 HOH A O   1 
HETATM 1531 O O   . HOH C 3 .   ? 29.39746 -22.89524 6.81198   1.000 50.90816  ? 311 HOH A O   1 
HETATM 1532 O O   . HOH C 3 .   ? -3.33269 -12.65601 2.94607   1.000 71.33065  ? 312 HOH A O   1 
HETATM 1533 O O   . HOH C 3 .   ? 27.19398 -8.61267  12.02842  1.000 48.05794  ? 313 HOH A O   1 
HETATM 1534 O O   . HOH C 3 .   ? 2.67630  -31.12003 20.71527  1.000 45.14736  ? 314 HOH A O   1 
HETATM 1535 O O   . HOH C 3 .   ? 14.47485 -41.23711 25.28111  1.000 82.12235  ? 315 HOH A O   1 
HETATM 1536 O O   . HOH C 3 .   ? 12.42844 -15.80618 19.17329  1.000 36.12388  ? 316 HOH A O   1 
HETATM 1537 O O   . HOH C 3 .   ? 29.04025 -21.13160 14.15876  1.000 48.80019  ? 317 HOH A O   1 
HETATM 1538 O O   . HOH C 3 .   ? -3.82553 -28.06413 7.61124   1.000 55.99906  ? 318 HOH A O   1 
HETATM 1539 O O   . HOH C 3 .   ? 16.06067 -31.57387 20.14985  1.000 40.74872  ? 319 HOH A O   1 
HETATM 1540 O O   . HOH C 3 .   ? 25.67390 -18.60285 17.95223  1.000 53.78496  ? 320 HOH A O   1 
HETATM 1541 O O   . HOH C 3 .   ? -7.31490 -25.27304 18.97336  1.000 66.01006  ? 321 HOH A O   1 
HETATM 1542 O O   . HOH C 3 .   ? 18.59263 -6.44214  19.20034  1.000 50.28479  ? 322 HOH A O   1 
HETATM 1543 O O   . HOH C 3 .   ? 14.01553 -33.65162 21.08003  1.000 47.12533  ? 323 HOH A O   1 
HETATM 1544 O O   . HOH C 3 .   ? 7.87829  -16.18046 2.41758   1.000 42.19984  ? 324 HOH A O   1 
HETATM 1545 O O   . HOH C 3 .   ? 8.90777  -32.41615 23.70246  1.000 44.11854  ? 325 HOH A O   1 
HETATM 1546 O O   . HOH C 3 .   ? 11.82401 -12.94537 23.14585  1.000 50.37813  ? 326 HOH A O   1 
HETATM 1547 O O   . HOH C 3 .   ? 22.08215 -21.48239 0.86261   1.000 41.64139  ? 327 HOH A O   1 
HETATM 1548 O O   . HOH C 3 .   ? -0.16420 -20.36507 20.80044  1.000 45.94627  ? 328 HOH A O   1 
HETATM 1549 O O   . HOH C 3 .   ? 10.30054 -32.58031 7.86308   1.000 36.37104  ? 329 HOH A O   1 
HETATM 1550 O O   . HOH C 3 .   ? 15.45237 -31.67131 0.81103   1.000 40.22656  ? 330 HOH A O   1 
HETATM 1551 O O   . HOH C 3 .   ? 20.00933 -34.16916 22.57947  1.000 52.47970  ? 331 HOH A O   1 
HETATM 1552 O O   . HOH C 3 .   ? 24.72108 -29.19021 24.23991  1.000 50.43962  ? 332 HOH A O   1 
HETATM 1553 O O   . HOH C 3 .   ? 8.94312  -24.25400 4.57004   1.000 38.03280  ? 333 HOH A O   1 
HETATM 1554 O O   . HOH C 3 .   ? 15.93060 -5.76868  8.34538   1.000 43.46964  ? 334 HOH A O   1 
HETATM 1555 O O   . HOH C 3 .   ? 0.43643  -16.98296 0.37206   1.000 45.98245  ? 335 HOH A O   1 
HETATM 1556 O O   . HOH C 3 .   ? 8.82806  -20.62809 -5.89988  1.000 52.23918  ? 336 HOH A O   1 
HETATM 1557 O O   . HOH C 3 .   ? 29.77574 -18.43925 13.99653  1.000 59.29493  ? 337 HOH A O   1 
HETATM 1558 O O   . HOH C 3 .   ? 20.12761 -10.29533 26.88489  1.000 52.86439  ? 338 HOH A O   1 
HETATM 1559 O O   . HOH C 3 .   ? 6.69819  -23.47003 5.65493   1.000 38.91022  ? 339 HOH A O   1 
HETATM 1560 O O   . HOH C 3 .   ? 9.747    -24.992   -2.314    1.000 46.60439  ? 340 HOH A O   1 
HETATM 1561 O O   . HOH C 3 .   ? 3.171    -29.239   1.431     1.000 55.53102  ? 341 HOH A O   1 
HETATM 1562 O O   . HOH C 3 .   ? 26.13330 -29.71182 6.59829   1.000 62.33688  ? 342 HOH A O   1 
HETATM 1563 O O   . HOH C 3 .   ? 27.41781 -8.28042  19.40011  1.000 60.18663  ? 343 HOH A O   1 
HETATM 1564 O O   . HOH C 3 .   ? 11.08305 -10.27294 5.21988   1.000 50.87179  ? 344 HOH A O   1 
HETATM 1565 O O   . HOH C 3 .   ? 11.28192 -30.08359 8.20947   1.000 37.74835  ? 345 HOH A O   1 
HETATM 1566 O O   . HOH C 3 .   ? -6.03526 -22.43918 8.62492   1.000 57.66575  ? 346 HOH A O   1 
HETATM 1567 O O   . HOH C 3 .   ? 13.57719 -37.26857 15.22084  1.000 57.06747  ? 347 HOH A O   1 
HETATM 1568 O O   . HOH C 3 .   ? -2.38186 -19.33448 -2.07721  1.000 58.09857  ? 348 HOH A O   1 
HETATM 1569 O O   . HOH C 3 .   ? 27.61271 -5.36940  7.46930   1.000 45.62749  ? 349 HOH A O   1 
HETATM 1570 O O   . HOH C 3 .   ? 31.22306 -9.36389  11.61920  1.000 50.47361  ? 350 HOH A O   1 
HETATM 1571 O O   . HOH C 3 .   ? -1.06322 -12.25843 12.73956  1.000 57.56250  ? 351 HOH A O   1 
HETATM 1572 O O   . HOH C 3 .   ? 28.38243 -5.31576  10.07115  1.000 53.26941  ? 352 HOH A O   1 
HETATM 1573 O O   . HOH C 3 .   ? 4.38878  -13.08700 6.06627   1.000 50.70033  ? 353 HOH A O   1 
HETATM 1574 O O   . HOH C 3 .   ? 22.32047 -9.13725  21.81011  1.000 57.95758  ? 354 HOH A O   1 
HETATM 1575 O O   . HOH C 3 .   ? 19.59806 -34.55036 5.00941   1.000 60.78462  ? 355 HOH A O   1 
HETATM 1576 O O   . HOH C 3 .   ? 21.663   -22.968   -13.865   1.000 99.86556  ? 356 HOH A O   1 
HETATM 1577 O O   . HOH C 3 .   ? 2.03982  -13.81151 1.22507   1.000 58.14862  ? 357 HOH A O   1 
HETATM 1578 O O   . HOH C 3 .   ? 10.84347 -7.34233  19.78575  1.000 46.81839  ? 358 HOH A O   1 
HETATM 1579 O O   . HOH C 3 .   ? 2.75825  -34.56793 22.43054  1.000 52.51755  ? 359 HOH A O   1 
HETATM 1580 O O   . HOH C 3 .   ? -3.61033 -31.93488 17.78542  1.000 61.99516  ? 360 HOH A O   1 
HETATM 1581 O O   . HOH C 3 .   ? 10.91457 -38.02611 15.68571  1.000 41.68880  ? 361 HOH A O   1 
HETATM 1582 O O   . HOH C 3 .   ? 25.05905 -15.18830 18.81131  1.000 54.20392  ? 362 HOH A O   1 
HETATM 1583 O O   . HOH C 3 .   ? 6.55137  -8.66896  15.50728  1.000 66.36376  ? 363 HOH A O   1 
HETATM 1584 O O   . HOH C 3 .   ? 20.14471 -7.59531  17.11869  1.000 47.34627  ? 364 HOH A O   1 
HETATM 1585 O O   . HOH C 3 .   ? 31.29742 -25.79584 9.36442   1.000 47.31555  ? 365 HOH A O   1 
HETATM 1586 O O   . HOH C 3 .   ? 12.19928 -12.67209 -2.20966  1.000 49.44918  ? 366 HOH A O   1 
HETATM 1587 O O   . HOH C 3 .   ? 15.03921 -18.41536 12.77217  1.000 37.35067  ? 367 HOH A O   1 
HETATM 1588 O O   . HOH C 3 .   ? 28.11051 0.82133   2.82736   1.000 46.17761  ? 368 HOH A O   1 
HETATM 1589 O O   . HOH C 3 .   ? 13.08672 -10.36342 -1.54658  1.000 57.89578  ? 369 HOH A O   1 
HETATM 1590 O O   . HOH C 3 .   ? 28.17206 -11.39981 17.79294  1.000 61.49724  ? 370 HOH A O   1 
HETATM 1591 O O   . HOH C 3 .   ? 13.49454 -36.68679 5.83648   1.000 45.92724  ? 371 HOH A O   1 
HETATM 1592 O O   . HOH C 3 .   ? 1.13610  -27.68046 2.81000   1.000 41.56580  ? 372 HOH A O   1 
HETATM 1593 O O   . HOH C 3 .   ? 14.45741 -36.14469 19.98239  1.000 51.64819  ? 373 HOH A O   1 
HETATM 1594 O O   . HOH C 3 .   ? 6.75918  -1.57476  11.37740  1.000 67.90922  ? 374 HOH A O   1 
HETATM 1595 O O   . HOH C 3 .   ? 10.59392 -18.75614 -3.51298  1.000 41.29021  ? 375 HOH A O   1 
HETATM 1596 O O   . HOH C 3 .   ? 6.03921  -3.83948  6.63664   1.000 65.12550  ? 376 HOH A O   1 
HETATM 1597 O O   . HOH C 3 .   ? 21.40363 -36.37435 11.37072  1.000 66.98430  ? 377 HOH A O   1 
HETATM 1598 O O   . HOH C 3 .   ? -0.72394 -12.55017 16.58397  1.000 64.00817  ? 378 HOH A O   1 
HETATM 1599 O O   . HOH C 3 .   ? 19.66017 -34.53177 25.88542  1.000 52.80860  ? 379 HOH A O   1 
HETATM 1600 O O   . HOH C 3 .   ? 5.44086  -30.96100 26.11653  1.000 62.79234  ? 380 HOH A O   1 
HETATM 1601 O O   . HOH C 3 .   ? 27.51411 -16.64258 2.61019   1.000 37.97929  ? 381 HOH A O   1 
HETATM 1602 O O   . HOH C 3 .   ? 3.90614  -26.96006 -0.99336  1.000 51.10355  ? 382 HOH A O   1 
HETATM 1603 O O   . HOH C 3 .   ? 28.14950 -14.21186 16.39184  1.000 63.38344  ? 383 HOH A O   1 
HETATM 1604 O O   . HOH C 3 .   ? 1.20154  -32.09732 16.86412  1.000 50.87877  ? 384 HOH A O   1 
HETATM 1605 O O   . HOH C 3 .   ? 15.19153 -1.76723  15.83342  1.000 61.55810  ? 385 HOH A O   1 
HETATM 1606 O O   . HOH C 3 .   ? 6.65605  -14.31817 0.41863   1.000 52.99104  ? 386 HOH A O   1 
HETATM 1607 O O   . HOH C 3 .   ? 16.089   -0.178    -1.973    1.000 56.95800  ? 387 HOH A O   1 
HETATM 1608 O O   . HOH C 3 .   ? 16.42267 -36.82254 6.39385   1.000 45.01855  ? 388 HOH A O   1 
HETATM 1609 O O   . HOH C 3 .   ? 10.72679 -22.53664 -2.51876  1.000 49.67749  ? 389 HOH A O   1 
HETATM 1610 O O   . HOH C 3 .   ? 13.79001 -4.04876  8.84638   1.000 48.67424  ? 390 HOH A O   1 
HETATM 1611 O O   . HOH C 3 .   ? 30.07855 -16.24622 2.59508   1.000 57.43485  ? 391 HOH A O   1 
HETATM 1612 O O   . HOH C 3 .   ? -6.51636 -21.74762 14.58877  1.000 65.49650  ? 392 HOH A O   1 
HETATM 1613 O O   . HOH C 3 .   ? -4.31061 -24.08078 0.35373   1.000 63.11182  ? 393 HOH A O   1 
HETATM 1614 O O   . HOH C 3 .   ? 9.25683  -12.90168 18.04108  1.000 55.68082  ? 394 HOH A O   1 
HETATM 1615 O O   . HOH C 3 .   ? 29.84072 -14.99232 -0.63693  1.000 69.04482  ? 395 HOH A O   1 
HETATM 1616 O O   . HOH C 3 .   ? 25.62528 -0.69969  14.88655  1.000 58.10403  ? 396 HOH A O   1 
HETATM 1617 O O   . HOH C 3 .   ? 2.90077  -30.80831 24.80044  1.000 62.44076  ? 397 HOH A O   1 
HETATM 1618 O O   . HOH C 3 .   ? -7.33112 -13.33633 5.43314   1.000 76.50464  ? 398 HOH A O   1 
HETATM 1619 O O   . HOH C 3 .   ? 16.99202 -1.17279  5.94745   1.000 62.51125  ? 399 HOH A O   1 
HETATM 1620 O O   . HOH C 3 .   ? 27.76701 -16.32975 14.76553  1.000 54.43630  ? 400 HOH A O   1 
HETATM 1621 O O   . HOH C 3 .   ? 34.56492 -11.11474 13.80374  1.000 61.34758  ? 401 HOH A O   1 
HETATM 1622 O O   . HOH C 3 .   ? -0.12446 -28.51823 26.14865  1.000 63.26334  ? 402 HOH A O   1 
HETATM 1623 O O   . HOH C 3 .   ? 26.13858 -31.05584 17.59163  1.000 56.20484  ? 403 HOH A O   1 
HETATM 1624 O O   . HOH C 3 .   ? 15.87992 -21.84672 -2.02512  1.000 55.77014  ? 404 HOH A O   1 
HETATM 1625 O O   . HOH C 3 .   ? 24.30935 -22.41280 24.03803  1.000 59.18927  ? 405 HOH A O   1 
HETATM 1626 O O   . HOH C 3 .   ? 11.87748 -3.82681  4.80148   1.000 55.31801  ? 406 HOH A O   1 
HETATM 1627 O O   . HOH C 3 .   ? 7.89594  -10.50092 17.00140  1.000 57.53840  ? 407 HOH A O   1 
HETATM 1628 O O   . HOH C 3 .   ? 16.39152 -4.41790  21.72312  1.000 61.10735  ? 408 HOH A O   1 
HETATM 1629 O O   . HOH C 3 .   ? 19.18542 -15.40781 -0.28394  1.000 58.39156  ? 409 HOH A O   1 
HETATM 1630 O O   . HOH C 3 .   ? 0.67978  -33.19733 21.71593  1.000 65.03984  ? 410 HOH A O   1 
HETATM 1631 O O   . HOH C 3 .   ? 1.06903  -14.60696 23.41255  1.000 59.57008  ? 411 HOH A O   1 
HETATM 1632 O O   . HOH C 3 .   ? 24.01559 -22.54543 -1.43429  1.000 59.68864  ? 412 HOH A O   1 
HETATM 1633 O O   . HOH C 3 .   ? 24.57139 -32.49589 20.74666  1.000 57.18519  ? 413 HOH A O   1 
HETATM 1634 O O   . HOH C 3 .   ? 26.35184 -29.56467 2.98478   1.000 62.90220  ? 414 HOH A O   1 
HETATM 1635 O O   . HOH C 3 .   ? 26.39003 -27.32653 23.67988  1.000 57.70947  ? 415 HOH A O   1 
HETATM 1636 O O   . HOH C 3 .   ? 15.77740 -1.99267  12.47285  1.000 61.31617  ? 416 HOH A O   1 
HETATM 1637 O O   . HOH C 3 .   ? 24.68173 -36.07785 8.88555   1.000 68.25334  ? 417 HOH A O   1 
HETATM 1638 O O   . HOH C 3 .   ? 29.569   -2.827    11.502    1.000 64.85894  ? 418 HOH A O   1 
HETATM 1639 O O   . HOH C 3 .   ? 24.39835 -29.01454 0.93799   1.000 60.98966  ? 419 HOH A O   1 
HETATM 1640 O O   . HOH C 3 .   ? 24.54299 -31.65140 3.57101   1.000 57.75139  ? 420 HOH A O   1 
HETATM 1641 O O   . HOH C 3 .   ? 26.706   -27.729   27.707    1.000 65.12937  ? 421 HOH A O   1 
HETATM 1642 O O   . HOH C 3 .   ? -1.51020 -16.95780 -1.47413  1.000 57.13832  ? 422 HOH A O   1 
HETATM 1643 O O   . HOH C 3 .   ? 12.14478 -11.66359 -10.55846 1.000 67.08275  ? 423 HOH A O   1 
HETATM 1644 O O   . HOH C 3 .   ? 3.22344  -37.06967 15.39869  1.000 53.65037  ? 424 HOH A O   1 
HETATM 1645 O O   . HOH C 3 .   ? 7.05470  -33.16255 26.82486  1.000 60.54404  ? 425 HOH A O   1 
HETATM 1646 O O   . HOH C 3 .   ? 32.90196 -22.28300 11.08011  1.000 64.49669  ? 426 HOH A O   1 
HETATM 1647 O O   . HOH C 3 .   ? 11.91698 -38.67376 21.22127  1.000 69.79748  ? 427 HOH A O   1 
HETATM 1648 O O   . HOH C 3 .   ? 26.063   -1.715    7.553     1.000 55.77300  ? 428 HOH A O   1 
HETATM 1649 O O   . HOH C 3 .   ? 8.80090  -3.39447  17.73959  1.000 70.09156  ? 429 HOH A O   1 
HETATM 1650 O O   . HOH C 3 .   ? 23.28045 -35.96363 16.61001  1.000 64.99861  ? 430 HOH A O   1 
HETATM 1651 O O   . HOH C 3 .   ? 12.53899 -9.81004  1.05404   1.000 62.05244  ? 431 HOH A O   1 
HETATM 1652 O O   . HOH C 3 .   ? 0.92394  -19.63307 -9.76304  1.000 59.00715  ? 432 HOH A O   1 
HETATM 1653 O O   . HOH C 3 .   ? 20.15693 -18.21442 -4.61530  1.000 72.45479  ? 433 HOH A O   1 
HETATM 1654 O O   . HOH C 3 .   ? 28.83502 -6.04620  19.61007  1.000 63.27097  ? 434 HOH A O   1 
HETATM 1655 O O   . HOH C 3 .   ? 27.69542 -3.58537  19.96403  1.000 64.24359  ? 435 HOH A O   1 
HETATM 1656 O O   . HOH C 3 .   ? 1.688    -28.156   -1.961    1.000 63.76718  ? 436 HOH A O   1 
HETATM 1657 O O   . HOH C 3 .   ? 11.09507 -10.34762 22.35456  1.000 54.76826  ? 437 HOH A O   1 
HETATM 1658 O O   . HOH C 3 .   ? 8.587    -9.560    23.467    1.000 64.27586  ? 438 HOH A O   1 
HETATM 1659 O O   . HOH C 3 .   ? 21.51672 -17.23834 -0.18956  1.000 57.11744  ? 439 HOH A O   1 
HETATM 1660 O O   . HOH C 3 .   ? -9.14373 -20.50942 7.80450   1.000 72.64534  ? 440 HOH A O   1 
HETATM 1661 O O   . HOH C 3 .   ? -8.64547 -24.35007 22.45407  1.000 73.92133  ? 441 HOH A O   1 
HETATM 1662 O O   . HOH C 3 .   ? 9.32848  -20.75260 -10.03247 1.000 60.28427  ? 442 HOH A O   1 
# 
