data_8W3M
# 
_entry.id   8W3M 
# 
_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   8W3M         pdb_00008w3m 10.2210/pdb8w3m/pdb 
WWPDB D_1000281806 ?            ?                   
# 
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                        8W3M 
_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 'Peptidase C3' 21191.033 1   3.4.22.29,3.6.1.15,3.4.22.28,2.7.7.48 ? ? ? 
2 non-polymer syn 
;ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
;
525.554   1   ?                                     ? ? ? 
3 non-polymer syn 'SODIUM ION' 22.990    10  ?                                     ? ? ? 
4 water       nat water 18.015    154 ?                                     ? ? ? 
# 
_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
HVGGNGAQGFAAMLLHSYFTDTQRHHHHHH
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GPGFDFAQAIMKKNTVVARTEKGEFTMLGVHDRVAVIPTHASVGETIYINDVETKVLDACALRDLTDTNLEITIVKLDRN
QKFRDIRHFLPRYEDDYNDAVLSVHTSKFPNMYIPVGQVTNYGFLNLGGTPTHRILMYNFPTRAGQCGGVVTTTGKVIGI
HVGGNGAQGFAAMLLHSYFTDTQRHHHHHH
;
_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 
;ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
;
XNV 
3 'SODIUM ION' NA  
4 water HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   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 GLN n 
1 184 ARG 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 
NA  non-polymer         . 'SODIUM ION' ?                    'Na 1'           22.990  
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 
VAL 'L-peptide linking' y VALINE ?                    'C5 H11 N O2'    117.146 
XNV non-polymer         . 
;ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate
;
'AG7404, bound form' 'C26 H31 N5 O7'  525.554 
# 
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 GLN 183 183 ?   ?   ?   A . n 
A 1 184 ARG 184 184 184 ARG ARG 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        XNV 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   XNV 
_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 XNV 1   201 201 XNV LIG A . 
C 3 NA  1   202 1   NA  NA  A . 
D 3 NA  1   203 2   NA  NA  A . 
E 3 NA  1   204 4   NA  NA  A . 
F 3 NA  1   205 5   NA  NA  A . 
G 3 NA  1   206 6   NA  NA  A . 
H 3 NA  1   207 7   NA  NA  A . 
I 3 NA  1   208 8   NA  NA  A . 
J 3 NA  1   209 9   NA  NA  A . 
K 3 NA  1   210 11  NA  NA  A . 
L 3 NA  1   211 12  NA  NA  A . 
M 4 HOH 1   301 134 HOH HOH A . 
M 4 HOH 2   302 46  HOH HOH A . 
M 4 HOH 3   303 20  HOH HOH A . 
M 4 HOH 4   304 66  HOH HOH A . 
M 4 HOH 5   305 75  HOH HOH A . 
M 4 HOH 6   306 86  HOH HOH A . 
M 4 HOH 7   307 35  HOH HOH A . 
M 4 HOH 8   308 109 HOH HOH A . 
M 4 HOH 9   309 56  HOH HOH A . 
M 4 HOH 10  310 34  HOH HOH A . 
M 4 HOH 11  311 85  HOH HOH A . 
M 4 HOH 12  312 54  HOH HOH A . 
M 4 HOH 13  313 18  HOH HOH A . 
M 4 HOH 14  314 6   HOH HOH A . 
M 4 HOH 15  315 2   HOH HOH A . 
M 4 HOH 16  316 166 HOH HOH A . 
M 4 HOH 17  317 3   HOH HOH A . 
M 4 HOH 18  318 22  HOH HOH A . 
M 4 HOH 19  319 1   HOH HOH A . 
M 4 HOH 20  320 4   HOH HOH A . 
M 4 HOH 21  321 9   HOH HOH A . 
M 4 HOH 22  322 52  HOH HOH A . 
M 4 HOH 23  323 76  HOH HOH A . 
M 4 HOH 24  324 15  HOH HOH A . 
M 4 HOH 25  325 19  HOH HOH A . 
M 4 HOH 26  326 40  HOH HOH A . 
M 4 HOH 27  327 43  HOH HOH A . 
M 4 HOH 28  328 30  HOH HOH A . 
M 4 HOH 29  329 62  HOH HOH A . 
M 4 HOH 30  330 44  HOH HOH A . 
M 4 HOH 31  331 70  HOH HOH A . 
M 4 HOH 32  332 84  HOH HOH A . 
M 4 HOH 33  333 118 HOH HOH A . 
M 4 HOH 34  334 63  HOH HOH A . 
M 4 HOH 35  335 97  HOH HOH A . 
M 4 HOH 36  336 82  HOH HOH A . 
M 4 HOH 37  337 7   HOH HOH A . 
M 4 HOH 38  338 28  HOH HOH A . 
M 4 HOH 39  339 26  HOH HOH A . 
M 4 HOH 40  340 5   HOH HOH A . 
M 4 HOH 41  341 12  HOH HOH A . 
M 4 HOH 42  342 67  HOH HOH A . 
M 4 HOH 43  343 27  HOH HOH A . 
M 4 HOH 44  344 36  HOH HOH A . 
M 4 HOH 45  345 164 HOH HOH A . 
M 4 HOH 46  346 49  HOH HOH A . 
M 4 HOH 47  347 8   HOH HOH A . 
M 4 HOH 48  348 29  HOH HOH A . 
M 4 HOH 49  349 127 HOH HOH A . 
M 4 HOH 50  350 39  HOH HOH A . 
M 4 HOH 51  351 16  HOH HOH A . 
M 4 HOH 52  352 113 HOH HOH A . 
M 4 HOH 53  353 50  HOH HOH A . 
M 4 HOH 54  354 42  HOH HOH A . 
M 4 HOH 55  355 71  HOH HOH A . 
M 4 HOH 56  356 11  HOH HOH A . 
M 4 HOH 57  357 45  HOH HOH A . 
M 4 HOH 58  358 24  HOH HOH A . 
M 4 HOH 59  359 13  HOH HOH A . 
M 4 HOH 60  360 33  HOH HOH A . 
M 4 HOH 61  361 17  HOH HOH A . 
M 4 HOH 62  362 106 HOH HOH A . 
M 4 HOH 63  363 92  HOH HOH A . 
M 4 HOH 64  364 98  HOH HOH A . 
M 4 HOH 65  365 55  HOH HOH A . 
M 4 HOH 66  366 10  HOH HOH A . 
M 4 HOH 67  367 37  HOH HOH A . 
M 4 HOH 68  368 25  HOH HOH A . 
M 4 HOH 69  369 77  HOH HOH A . 
M 4 HOH 70  370 47  HOH HOH A . 
M 4 HOH 71  371 41  HOH HOH A . 
M 4 HOH 72  372 80  HOH HOH A . 
M 4 HOH 73  373 60  HOH HOH A . 
M 4 HOH 74  374 21  HOH HOH A . 
M 4 HOH 75  375 147 HOH HOH A . 
M 4 HOH 76  376 116 HOH HOH A . 
M 4 HOH 77  377 51  HOH HOH A . 
M 4 HOH 78  378 81  HOH HOH A . 
M 4 HOH 79  379 48  HOH HOH A . 
M 4 HOH 80  380 125 HOH HOH A . 
M 4 HOH 81  381 126 HOH HOH A . 
M 4 HOH 82  382 133 HOH HOH A . 
M 4 HOH 83  383 31  HOH HOH A . 
M 4 HOH 84  384 65  HOH HOH A . 
M 4 HOH 85  385 38  HOH HOH A . 
M 4 HOH 86  386 53  HOH HOH A . 
M 4 HOH 87  387 69  HOH HOH A . 
M 4 HOH 88  388 143 HOH HOH A . 
M 4 HOH 89  389 96  HOH HOH A . 
M 4 HOH 90  390 167 HOH HOH A . 
M 4 HOH 91  391 23  HOH HOH A . 
M 4 HOH 92  392 79  HOH HOH A . 
M 4 HOH 93  393 14  HOH HOH A . 
M 4 HOH 94  394 142 HOH HOH A . 
M 4 HOH 95  395 89  HOH HOH A . 
M 4 HOH 96  396 32  HOH HOH A . 
M 4 HOH 97  397 93  HOH HOH A . 
M 4 HOH 98  398 104 HOH HOH A . 
M 4 HOH 99  399 132 HOH HOH A . 
M 4 HOH 100 400 111 HOH HOH A . 
M 4 HOH 101 401 68  HOH HOH A . 
M 4 HOH 102 402 136 HOH HOH A . 
M 4 HOH 103 403 100 HOH HOH A . 
M 4 HOH 104 404 90  HOH HOH A . 
M 4 HOH 105 405 102 HOH HOH A . 
M 4 HOH 106 406 130 HOH HOH A . 
M 4 HOH 107 407 103 HOH HOH A . 
M 4 HOH 108 408 139 HOH HOH A . 
M 4 HOH 109 409 83  HOH HOH A . 
M 4 HOH 110 410 95  HOH HOH A . 
M 4 HOH 111 411 105 HOH HOH A . 
M 4 HOH 112 412 74  HOH HOH A . 
M 4 HOH 113 413 148 HOH HOH A . 
M 4 HOH 114 414 162 HOH HOH A . 
M 4 HOH 115 415 115 HOH HOH A . 
M 4 HOH 116 416 58  HOH HOH A . 
M 4 HOH 117 417 141 HOH HOH A . 
M 4 HOH 118 418 122 HOH HOH A . 
M 4 HOH 119 419 171 HOH HOH A . 
M 4 HOH 120 420 129 HOH HOH A . 
M 4 HOH 121 421 117 HOH HOH A . 
M 4 HOH 122 422 145 HOH HOH A . 
M 4 HOH 123 423 91  HOH HOH A . 
M 4 HOH 124 424 169 HOH HOH A . 
M 4 HOH 125 425 72  HOH HOH A . 
M 4 HOH 126 426 124 HOH HOH A . 
M 4 HOH 127 427 108 HOH HOH A . 
M 4 HOH 128 428 107 HOH HOH A . 
M 4 HOH 129 429 146 HOH HOH A . 
M 4 HOH 130 430 144 HOH HOH A . 
M 4 HOH 131 431 57  HOH HOH A . 
M 4 HOH 132 432 112 HOH HOH A . 
M 4 HOH 133 433 114 HOH HOH A . 
M 4 HOH 134 434 87  HOH HOH A . 
M 4 HOH 135 435 99  HOH HOH A . 
M 4 HOH 136 436 140 HOH HOH A . 
M 4 HOH 137 437 73  HOH HOH A . 
M 4 HOH 138 438 135 HOH HOH A . 
M 4 HOH 139 439 78  HOH HOH A . 
M 4 HOH 140 440 121 HOH HOH A . 
M 4 HOH 141 441 137 HOH HOH A . 
M 4 HOH 142 442 59  HOH HOH A . 
M 4 HOH 143 443 165 HOH HOH A . 
M 4 HOH 144 444 123 HOH HOH A . 
M 4 HOH 145 445 138 HOH HOH A . 
M 4 HOH 146 446 168 HOH HOH A . 
M 4 HOH 147 447 128 HOH HOH A . 
M 4 HOH 148 448 149 HOH HOH A . 
M 4 HOH 149 449 61  HOH HOH A . 
M 4 HOH 150 450 94  HOH HOH A . 
M 4 HOH 151 451 163 HOH HOH A . 
M 4 HOH 152 452 120 HOH HOH A . 
M 4 HOH 153 453 131 HOH HOH A . 
M 4 HOH 154 454 170 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  ? CD  ? A LYS 12  CD  
2  1 Y 1 A LYS 12  ? CE  ? A LYS 12  CE  
3  1 Y 1 A LYS 12  ? NZ  ? A LYS 12  NZ  
4  1 Y 1 A MET 112 ? CE  ? A MET 112 CE  
5  1 Y 1 A THR 182 ? OG1 ? A THR 182 OG1 
6  1 Y 1 A THR 182 ? CG2 ? A THR 182 CG2 
7  1 Y 1 A ARG 184 ? CG  ? A ARG 184 CG  
8  1 Y 1 A ARG 184 ? CD  ? A ARG 184 CD  
9  1 Y 1 A ARG 184 ? NE  ? A ARG 184 NE  
10 1 Y 1 A ARG 184 ? CZ  ? A ARG 184 CZ  
11 1 Y 1 A ARG 184 ? NH1 ? A ARG 184 NH1 
12 1 Y 1 A ARG 184 ? NH2 ? A ARG 184 NH2 
13 1 Y 1 A HIS 185 ? CG  ? A HIS 185 CG  
14 1 Y 1 A HIS 185 ? ND1 ? A HIS 185 ND1 
15 1 Y 1 A HIS 185 ? CD2 ? A HIS 185 CD2 
16 1 Y 1 A HIS 185 ? CE1 ? A HIS 185 CE1 
17 1 Y 1 A HIS 185 ? NE2 ? A HIS 185 NE2 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? PHENIX ? ? ? 1.20.1_4487 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                     8W3M 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     56.491 
_cell.length_a_esd                 ? 
_cell.length_b                     56.491 
_cell.length_b_esd                 ? 
_cell.length_c                     170.720 
_cell.length_c_esd                 ? 
_cell.volume                       471816.972 
_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                         8W3M 
_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                   8W3M 
_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             3.71 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          66.85 
_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    
;0.07M 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                          37.11 
_reflns.entry_id                                       8W3M 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.97 
_reflns.d_resolution_low                               32.16 
_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                                     23046 
_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                           100 
_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                          15 
_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                              0.023 
_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                                    1.97 
_reflns_shell.d_res_low                                     2.06 
_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                             2663 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.991 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.141 
_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                               45.96 
_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                                 8W3M 
_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                            1.97 
_refine.ls_d_res_low                             32.16 
_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                     23046 
_refine.ls_number_reflns_R_free                  1139 
_refine.ls_number_reflns_R_work                  21907 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.31 
_refine.ls_percent_reflns_R_free                 4.94 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2073 
_refine.ls_R_factor_R_free                       0.2385 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2056 
_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                          1.33 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1000 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 35.5514 
_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                            0.2365 
_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                       1.97 
_refine_hist.d_res_low                        32.16 
_refine_hist.number_atoms_solvent             154 
_refine_hist.number_atoms_total               1647 
_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        1445 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         48 
_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' ? 0.0125 ? 1521 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.2539 ? 2066 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0857 ? 232  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0130 ? 268  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 8.2332 ? 208  ? 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' 1.97 2.06  . . 139 2663 98.80 . . . . 0.3918 . . . . . . . . . . . 0.4589 
'X-RAY DIFFRACTION' 2.06 2.17  . . 141 2692 99.02 . . . . 0.3252 . . . . . . . . . . . 0.3436 
'X-RAY DIFFRACTION' 2.17 2.30  . . 132 2638 98.51 . . . . 0.3011 . . . . . . . . . . . 0.3580 
'X-RAY DIFFRACTION' 2.30 2.48  . . 136 2717 99.13 . . . . 0.2481 . . . . . . . . . . . 0.2845 
'X-RAY DIFFRACTION' 2.48 2.73  . . 146 2731 99.65 . . . . 0.2578 . . . . . . . . . . . 0.2820 
'X-RAY DIFFRACTION' 2.73 3.13  . . 145 2745 99.69 . . . . 0.2091 . . . . . . . . . . . 0.2654 
'X-RAY DIFFRACTION' 3.13 3.94  . . 145 2778 99.90 . . . . 0.1893 . . . . . . . . . . . 0.2263 
'X-RAY DIFFRACTION' 3.94 32.16 . . 155 2943 99.81 . . . . 0.1531 . . . . . . . . . . . 0.1793 
# 
_struct.entry_id                     8W3M 
_struct.title                        'Crystal Structure of Enterovirus 68 3C Protease with AG7404 at 1.97 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        8W3M 
_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 ? 
D N N 3 ? 
E N N 3 ? 
F N N 3 ? 
G N N 3 ? 
H N N 3 ? 
I N N 3 ? 
J N N 3 ? 
K N N 3 ? 
L N N 3 ? 
M N N 4 ? 
# 
_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
HVGGNGAQGFAAMLLHSYFTDTQ
;
_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              8W3M 
_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                 183 
_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                  1731 
_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       183 
# 
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 8W3M ARG A 184 ? UNP A1E4A3 ? ? 'expression tag' 184 1 
1 8W3M HIS A 185 ? UNP A1E4A3 ? ? 'expression tag' 185 2 
1 8W3M HIS A 186 ? UNP A1E4A3 ? ? 'expression tag' 186 3 
1 8W3M HIS A 187 ? UNP A1E4A3 ? ? 'expression tag' 187 4 
1 8W3M HIS A 188 ? UNP A1E4A3 ? ? 'expression tag' 188 5 
1 8W3M HIS A 189 ? UNP A1E4A3 ? ? 'expression tag' 189 6 
1 8W3M HIS A 190 ? UNP A1E4A3 ? ? 'expression tag' 190 7 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J,K,L,M 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 GLY A 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 ? PHE A 179 ? LEU A 175 PHE A 179 5 ? 5  
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
covale1 covale none ? A CYS 147 SG  ? ? ? 1_555 B XNV . C06 ? ? A CYS 147 A XNV 201 1_555 ? ? ? ? ? ? ? 1.770 ? ? 
metalc1 metalc ?    ? A GLU 45  OE2 ? ? ? 1_555 G NA  . NA  ? ? A GLU 45  A NA  206 5_564 ? ? ? ? ? ? ? 3.137 ? ? 
metalc2 metalc ?    ? A ASP 181 OD2 ? ? ? 1_555 E NA  . NA  ? ? A ASP 181 A NA  204 1_555 ? ? ? ? ? ? ? 3.125 ? ? 
metalc3 metalc ?    ? K NA  .   NA  ? ? ? 1_555 M HOH . O   ? ? A NA  210 A HOH 434 1_555 ? ? ? ? ? ? ? 3.067 ? ? 
metalc4 metalc ?    ? K NA  .   NA  ? ? ? 1_555 M HOH . O   ? ? A NA  210 A HOH 451 1_555 ? ? ? ? ? ? ? 2.561 ? ? 
metalc5 metalc ?    ? L NA  .   NA  ? ? ? 1_555 M HOH . O   ? ? A NA  211 A HOH 418 4_555 ? ? ? ? ? ? ? 3.105 ? ? 
metalc6 metalc ?    ? L NA  .   NA  ? ? ? 1_555 M HOH . O   ? ? A NA  211 A HOH 426 4_555 ? ? ? ? ? ? ? 2.995 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
covale ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1 O ? M HOH . ? A HOH 434 ? 1_555 NA ? K NA . ? A NA 210 ? 1_555 O ? M HOH . ? A HOH 451 ? 1_555 83.4  ? 
2 O ? M HOH . ? A HOH 418 ? 4_555 NA ? L NA . ? A NA 211 ? 1_555 O ? M HOH . ? A HOH 426 ? 4_555 116.3 ? 
# 
_pdbx_modification_feature.ordinal                            1 
_pdbx_modification_feature.label_comp_id                      XNV 
_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                       XNV 
_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               C06 
_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                        XNV 
_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 VAL A 52  ? O VAL A 52  N ILE A 49  ? N ILE A 49  
AA1 6 7 O TYR A 48  ? O TYR A 48  N ARG A 19  ? N ARG A 19  
AA2 1 2 N TYR A 97  ? N TYR A 97  O VAL A 119 ? O VAL A 119 
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                   8W3M 
_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 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   O 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   HOH 
_pdbx_validate_close_contact.auth_seq_id_1    408 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    441 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             1.80 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    O 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    HOH 
_pdbx_validate_symm_contact.auth_seq_id_1     394 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    O 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    HOH 
_pdbx_validate_symm_contact.auth_seq_id_2     396 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   4_555 
_pdbx_validate_symm_contact.dist              2.13 
# 
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  ? ? 45.65  -119.92 
2 1 HIS A 186 ? ? -59.83 102.63  
# 
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                       454 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   5.91 
_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 GLN 183 ? A GLN 183 
2 1 Y 1 A HIS 189 ? A HIS 189 
3 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 
NA  NA   NA N N 250 
PHE N    N  N N 251 
PHE CA   C  N S 252 
PHE C    C  N N 253 
PHE O    O  N N 254 
PHE CB   C  N N 255 
PHE CG   C  Y N 256 
PHE CD1  C  Y N 257 
PHE CD2  C  Y N 258 
PHE CE1  C  Y N 259 
PHE CE2  C  Y N 260 
PHE CZ   C  Y N 261 
PHE OXT  O  N N 262 
PHE H    H  N N 263 
PHE H2   H  N N 264 
PHE HA   H  N N 265 
PHE HB2  H  N N 266 
PHE HB3  H  N N 267 
PHE HD1  H  N N 268 
PHE HD2  H  N N 269 
PHE HE1  H  N N 270 
PHE HE2  H  N N 271 
PHE HZ   H  N N 272 
PHE HXT  H  N N 273 
PRO N    N  N N 274 
PRO CA   C  N S 275 
PRO C    C  N N 276 
PRO O    O  N N 277 
PRO CB   C  N N 278 
PRO CG   C  N N 279 
PRO CD   C  N N 280 
PRO OXT  O  N N 281 
PRO H    H  N N 282 
PRO HA   H  N N 283 
PRO HB2  H  N N 284 
PRO HB3  H  N N 285 
PRO HG2  H  N N 286 
PRO HG3  H  N N 287 
PRO HD2  H  N N 288 
PRO HD3  H  N N 289 
PRO HXT  H  N N 290 
SER N    N  N N 291 
SER CA   C  N S 292 
SER C    C  N N 293 
SER O    O  N N 294 
SER CB   C  N N 295 
SER OG   O  N N 296 
SER OXT  O  N N 297 
SER H    H  N N 298 
SER H2   H  N N 299 
SER HA   H  N N 300 
SER HB2  H  N N 301 
SER HB3  H  N N 302 
SER HG   H  N N 303 
SER HXT  H  N N 304 
THR N    N  N N 305 
THR CA   C  N S 306 
THR C    C  N N 307 
THR O    O  N N 308 
THR CB   C  N R 309 
THR OG1  O  N N 310 
THR CG2  C  N N 311 
THR OXT  O  N N 312 
THR H    H  N N 313 
THR H2   H  N N 314 
THR HA   H  N N 315 
THR HB   H  N N 316 
THR HG1  H  N N 317 
THR HG21 H  N N 318 
THR HG22 H  N N 319 
THR HG23 H  N N 320 
THR HXT  H  N N 321 
TYR N    N  N N 322 
TYR CA   C  N S 323 
TYR C    C  N N 324 
TYR O    O  N N 325 
TYR CB   C  N N 326 
TYR CG   C  Y N 327 
TYR CD1  C  Y N 328 
TYR CD2  C  Y N 329 
TYR CE1  C  Y N 330 
TYR CE2  C  Y N 331 
TYR CZ   C  Y N 332 
TYR OH   O  N N 333 
TYR OXT  O  N N 334 
TYR H    H  N N 335 
TYR H2   H  N N 336 
TYR HA   H  N N 337 
TYR HB2  H  N N 338 
TYR HB3  H  N N 339 
TYR HD1  H  N N 340 
TYR HD2  H  N N 341 
TYR HE1  H  N N 342 
TYR HE2  H  N N 343 
TYR HH   H  N N 344 
TYR HXT  H  N N 345 
VAL N    N  N N 346 
VAL CA   C  N S 347 
VAL C    C  N N 348 
VAL O    O  N N 349 
VAL CB   C  N N 350 
VAL CG1  C  N N 351 
VAL CG2  C  N N 352 
VAL OXT  O  N N 353 
VAL H    H  N N 354 
VAL H2   H  N N 355 
VAL HA   H  N N 356 
VAL HB   H  N N 357 
VAL HG11 H  N N 358 
VAL HG12 H  N N 359 
VAL HG13 H  N N 360 
VAL HG21 H  N N 361 
VAL HG22 H  N N 362 
VAL HG23 H  N N 363 
VAL HXT  H  N N 364 
XNV C01  C  N N 365 
XNV C02  C  N N 366 
XNV O03  O  N N 367 
XNV C04  C  N N 368 
XNV C05  C  N N 369 
XNV C06  C  N N 370 
XNV C07  C  N R 371 
XNV N08  N  N N 372 
XNV C09  C  N N 373 
XNV C10  C  N S 374 
XNV N11  N  N N 375 
XNV C12  C  N N 376 
XNV C13  C  N N 377 
XNV N14  N  N N 378 
XNV C15  C  N N 379 
XNV C16  C  Y N 380 
XNV N17  N  Y N 381 
XNV O18  O  Y N 382 
XNV C19  C  Y N 383 
XNV C20  C  N N 384 
XNV C21  C  Y N 385 
XNV O22  O  N N 386 
XNV C23  C  N N 387 
XNV C24  C  N N 388 
XNV C25  C  N N 389 
XNV O26  O  N N 390 
XNV C27  C  N N 391 
XNV C28  C  N N 392 
XNV C29  C  N N 393 
XNV O30  O  N N 394 
XNV C31  C  N N 395 
XNV C32  C  N S 396 
XNV C33  C  N N 397 
XNV C34  C  N N 398 
XNV N35  N  N N 399 
XNV C36  C  N N 400 
XNV O37  O  N N 401 
XNV O38  O  N N 402 
XNV H10  H  N N 403 
XNV H20  H  N N 404 
XNV H20A H  N N 405 
XNV H20B H  N N 406 
XNV H01  H  N N 407 
XNV H21  H  N N 408 
XNV H31  H  N N 409 
XNV H01A H  N N 410 
XNV H31A H  N N 411 
XNV H01B H  N N 412 
XNV H02  H  N N 413 
XNV H32  H  N N 414 
XNV H02A H  N N 415 
XNV H23  H  N N 416 
XNV H33  H  N N 417 
XNV H33A H  N N 418 
XNV HN14 H  N N 419 
XNV H24  H  N N 420 
XNV H34  H  N N 421 
XNV H34A H  N N 422 
XNV H05  H  N N 423 
XNV H25  H  N N 424 
XNV HN35 H  N N 425 
XNV H05A H  N N 426 
XNV H06  H  N N 427 
XNV H07  H  N N 428 
XNV H27  H  N N 429 
XNV H27A H  N N 430 
XNV HN08 H  N N 431 
XNV H29  H  N N 432 
XNV H06A H  N N 433 
# 
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 
VAL N    CA   sing N N 330 
VAL N    H    sing N N 331 
VAL N    H2   sing N N 332 
VAL CA   C    sing N N 333 
VAL CA   CB   sing N N 334 
VAL CA   HA   sing N N 335 
VAL C    O    doub N N 336 
VAL C    OXT  sing N N 337 
VAL CB   CG1  sing N N 338 
VAL CB   CG2  sing N N 339 
VAL CB   HB   sing N N 340 
VAL CG1  HG11 sing N N 341 
VAL CG1  HG12 sing N N 342 
VAL CG1  HG13 sing N N 343 
VAL CG2  HG21 sing N N 344 
VAL CG2  HG22 sing N N 345 
VAL CG2  HG23 sing N N 346 
VAL OXT  HXT  sing N N 347 
XNV H01B C01  sing N N 348 
XNV C02  C01  sing N N 349 
XNV H01  C01  sing N N 350 
XNV C01  H01A sing N N 351 
XNV O03  C02  sing N N 352 
XNV H02A C02  sing N N 353 
XNV C02  H02  sing N N 354 
XNV O03  C04  sing N N 355 
XNV C05  C04  sing N N 356 
XNV C04  O38  doub N N 357 
XNV H05A C05  sing N N 358 
XNV H05  C05  sing N N 359 
XNV C05  C06  sing N N 360 
XNV C06  H06  sing N N 361 
XNV C06  C07  sing N N 362 
XNV C06  H06A sing N N 363 
XNV N08  C07  sing N N 364 
XNV C07  H07  sing N N 365 
XNV C07  C31  sing N N 366 
XNV HN08 N08  sing N N 367 
XNV C09  N08  sing N N 368 
XNV C10  C09  sing N N 369 
XNV C09  O30  doub N N 370 
XNV C27  C10  sing N N 371 
XNV H10  C10  sing N N 372 
XNV C10  N11  sing N N 373 
XNV C25  N11  sing N N 374 
XNV N11  C12  sing N N 375 
XNV C12  O26  doub N N 376 
XNV C12  C13  sing N N 377 
XNV C23  C13  doub N N 378 
XNV C13  N14  sing N N 379 
XNV C15  N14  sing N N 380 
XNV N14  HN14 sing N N 381 
XNV O22  C15  doub N N 382 
XNV C15  C16  sing N N 383 
XNV C16  C21  sing Y N 384 
XNV C16  N17  doub Y N 385 
XNV N17  O18  sing Y N 386 
XNV C19  O18  sing Y N 387 
XNV C21  C19  doub Y N 388 
XNV C19  C20  sing N N 389 
XNV H20B C20  sing N N 390 
XNV C20  H20  sing N N 391 
XNV C20  H20A sing N N 392 
XNV H21  C21  sing N N 393 
XNV C24  C23  sing N N 394 
XNV C23  H23  sing N N 395 
XNV C25  C24  doub N N 396 
XNV H24  C24  sing N N 397 
XNV H25  C25  sing N N 398 
XNV C28  C27  sing N N 399 
XNV H27  C27  sing N N 400 
XNV C27  H27A sing N N 401 
XNV C29  C28  trip N N 402 
XNV H29  C29  sing N N 403 
XNV H31  C31  sing N N 404 
XNV C31  H31A sing N N 405 
XNV C31  C32  sing N N 406 
XNV H32  C32  sing N N 407 
XNV C32  C33  sing N N 408 
XNV C32  C36  sing N N 409 
XNV H33  C33  sing N N 410 
XNV C33  H33A sing N N 411 
XNV C33  C34  sing N N 412 
XNV H34  C34  sing N N 413 
XNV C34  N35  sing N N 414 
XNV C34  H34A sing N N 415 
XNV C36  N35  sing N N 416 
XNV N35  HN35 sing N N 417 
XNV O37  C36  doub N N 418 
# 
_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                    8W3M 
_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]   0.017702 
_atom_sites.fract_transf_matrix[1][2]   0.010220 
_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]   0.020440 
_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]   0.005858 
_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  ? ? ?       ?       ? ? ?        ?        ? ? ?   ? ? 
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.
;
? 
NA ? ? 9.38062 1.54875 ? ? 3.38349  72.32734 ? ? 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   ? 27.33370  30.79231 -2.00983  1.000 72.98199 ? 1   GLY A N    1 
ATOM   2    C  CA   . GLY A 1 1   ? 25.98822  30.32673 -1.70270  1.000 71.10965 ? 1   GLY A CA   1 
ATOM   3    C  C    . GLY A 1 1   ? 25.12005  30.06442 -2.93961  1.000 67.24469 ? 1   GLY A C    1 
ATOM   4    O  O    . GLY A 1 1   ? 25.35169  30.64633 -4.01141  1.000 67.95638 ? 1   GLY A O    1 
ATOM   5    N  N    . PRO A 1 2   ? 24.14491  29.15617 -2.81929  1.000 65.66012 ? 2   PRO A N    1 
ATOM   6    C  CA   . PRO A 1 2   ? 23.14061  29.00959 -3.89039  1.000 60.00741 ? 2   PRO A CA   1 
ATOM   7    C  C    . PRO A 1 2   ? 22.26466  30.26036 -4.03633  1.000 58.97145 ? 2   PRO A C    1 
ATOM   8    O  O    . PRO A 1 2   ? 22.05807  31.03358 -3.08656  1.000 56.34482 ? 2   PRO A O    1 
ATOM   9    C  CB   . PRO A 1 2   ? 22.30720  27.79286 -3.44540  1.000 55.61511 ? 2   PRO A CB   1 
ATOM   10   C  CG   . PRO A 1 2   ? 23.16673  27.02635 -2.46045  1.000 57.49197 ? 2   PRO A CG   1 
ATOM   11   C  CD   . PRO A 1 2   ? 24.18566  27.99859 -1.89241  1.000 60.65649 ? 2   PRO A CD   1 
ATOM   12   N  N    . GLY A 1 3   ? 21.73503  30.44794 -5.25353  1.000 51.58459 ? 3   GLY A N    1 
ATOM   13   C  CA   . GLY A 1 3   ? 20.89258  31.59905 -5.54185  1.000 47.77868 ? 3   GLY A CA   1 
ATOM   14   C  C    . GLY A 1 3   ? 19.45573  31.42359 -5.09690  1.000 48.20322 ? 3   GLY A C    1 
ATOM   15   O  O    . GLY A 1 3   ? 18.56852  31.32325 -5.94838  1.000 36.65271 ? 3   GLY A O    1 
ATOM   16   N  N    . PHE A 1 4   ? 19.21000  31.39217 -3.76466  1.000 41.16798 ? 4   PHE A N    1 
ATOM   17   C  CA   . PHE A 1 4   ? 17.88063  31.10081 -3.24097  1.000 36.86097 ? 4   PHE A CA   1 
ATOM   18   C  C    . PHE A 1 4   ? 16.90658  32.20347 -3.57051  1.000 40.78601 ? 4   PHE A C    1 
ATOM   19   O  O    . PHE A 1 4   ? 15.72363  31.94570 -3.80407  1.000 42.57386 ? 4   PHE A O    1 
ATOM   20   C  CB   . PHE A 1 4   ? 17.93957  30.91576 -1.69876  1.000 43.67770 ? 4   PHE A CB   1 
ATOM   21   C  CG   . PHE A 1 4   ? 18.36715  29.55354 -1.31202  1.000 43.69821 ? 4   PHE A CG   1 
ATOM   22   C  CD1  . PHE A 1 4   ? 17.49300  28.49035 -1.44325  1.000 43.00031 ? 4   PHE A CD1  1 
ATOM   23   C  CD2  . PHE A 1 4   ? 19.67817  29.30046 -0.94027  1.000 46.25328 ? 4   PHE A CD2  1 
ATOM   24   C  CE1  . PHE A 1 4   ? 17.90576  27.19231 -1.14278  1.000 43.46775 ? 4   PHE A CE1  1 
ATOM   25   C  CE2  . PHE A 1 4   ? 20.09697  28.00591 -0.64579  1.000 47.76602 ? 4   PHE A CE2  1 
ATOM   26   C  CZ   . PHE A 1 4   ? 19.20752  26.94868 -0.76713  1.000 45.10565 ? 4   PHE A CZ   1 
ATOM   27   N  N    . ASP A 1 5   ? 17.37186  33.44611 -3.54760  1.000 39.76487 ? 5   ASP A N    1 
ATOM   28   C  CA   . ASP A 1 5   ? 16.49580  34.56503 -3.85829  1.000 42.83970 ? 5   ASP A CA   1 
ATOM   29   C  C    . ASP A 1 5   ? 16.00674  34.48438 -5.30813  1.000 45.23843 ? 5   ASP A C    1 
ATOM   30   O  O    . ASP A 1 5   ? 14.82170  34.71407 -5.60039  1.000 44.22264 ? 5   ASP A O    1 
ATOM   31   C  CB   . ASP A 1 5   ? 17.28250  35.84628 -3.63305  1.000 44.39569 ? 5   ASP A CB   1 
ATOM   32   C  CG   . ASP A 1 5   ? 17.20496  36.31347 -2.18106  1.000 54.48345 ? 5   ASP A CG   1 
ATOM   33   O  OD1  . ASP A 1 5   ? 17.60262  37.47500 -1.90965  1.000 53.47358 ? 5   ASP A OD1  1 
ATOM   34   O  OD2  . ASP A 1 5   ? 16.69534  35.52723 -1.32867  1.000 54.07104 ? 5   ASP A OD2  1 
ATOM   35   N  N    . PHE A 1 6   ? 16.91362  34.18684 -6.23942  1.000 45.78832 ? 6   PHE A N    1 
ATOM   36   C  CA   . PHE A 1 6   ? 16.49776  34.07912 -7.64473  1.000 42.34711 ? 6   PHE A CA   1 
ATOM   37   C  C    . PHE A 1 6   ? 15.49823  32.93977 -7.82577  1.000 40.11779 ? 6   PHE A C    1 
ATOM   38   O  O    . PHE A 1 6   ? 14.45192  33.10949 -8.46761  1.000 43.23466 ? 6   PHE A O    1 
ATOM   39   C  CB   . PHE A 1 6   ? 17.72036  33.90440 -8.54492  1.000 41.67726 ? 6   PHE A CB   1 
ATOM   40   C  CG   . PHE A 1 6   ? 17.38554  33.82753 -9.99751  1.000 43.79164 ? 6   PHE A CG   1 
ATOM   41   C  CD1  . PHE A 1 6   ? 17.00922  34.97031 -10.68259 1.000 46.43222 ? 6   PHE A CD1  1 
ATOM   42   C  CD2  . PHE A 1 6   ? 17.46005  32.63025 -10.68248 1.000 40.99158 ? 6   PHE A CD2  1 
ATOM   43   C  CE1  . PHE A 1 6   ? 16.68635  34.93225 -12.05009 1.000 44.69385 ? 6   PHE A CE1  1 
ATOM   44   C  CE2  . PHE A 1 6   ? 17.12925  32.58223 -12.08063 1.000 41.75589 ? 6   PHE A CE2  1 
ATOM   45   C  CZ   . PHE A 1 6   ? 16.74989  33.73112 -12.73590 1.000 41.05294 ? 6   PHE A CZ   1 
ATOM   46   N  N    . ALA A 1 7   ? 15.79569  31.76790 -7.25488  1.000 38.73298 ? 7   ALA A N    1 
ATOM   47   C  CA   . ALA A 1 7   ? 14.87851  30.64850 -7.40564  1.000 36.58004 ? 7   ALA A CA   1 
ATOM   48   C  C    . ALA A 1 7   ? 13.48772  31.01979 -6.91470  1.000 41.71197 ? 7   ALA A C    1 
ATOM   49   O  O    . ALA A 1 7   ? 12.47719  30.60366 -7.50189  1.000 36.34423 ? 7   ALA A O    1 
ATOM   50   C  CB   . ALA A 1 7   ? 15.42529  29.43001 -6.66460  1.000 35.98451 ? 7   ALA A CB   1 
ATOM   51   N  N    . GLN A 1 8   ? 13.42052  31.76009 -5.79949  1.000 43.90570 ? 8   GLN A N    1 
ATOM   52   C  CA   . GLN A 1 8   ? 12.14215  32.12925 -5.20491  1.000 41.94851 ? 8   GLN A CA   1 
ATOM   53   C  C    . GLN A 1 8   ? 11.32383  33.00249 -6.14720  1.000 38.87413 ? 8   GLN A C    1 
ATOM   54   O  O    . GLN A 1 8   ? 10.10230  32.83227 -6.27742  1.000 35.94468 ? 8   GLN A O    1 
ATOM   55   C  CB   . GLN A 1 8   ? 12.35571  32.92533 -3.90904  1.000 40.28755 ? 8   GLN A CB   1 
ATOM   56   C  CG   . GLN A 1 8   ? 11.33678  32.59234 -2.91432  1.000 47.81359 ? 8   GLN A CG   1 
ATOM   57   C  CD   . GLN A 1 8   ? 11.68783  33.07849 -1.48838  1.000 51.51731 ? 8   GLN A CD   1 
ATOM   58   O  OE1  . GLN A 1 8   ? 12.83758  33.44359 -1.18292  1.000 52.27557 ? 8   GLN A OE1  1 
ATOM   59   N  NE2  . GLN A 1 8   ? 10.69024  33.03689 -0.61106  1.000 51.20610 ? 8   GLN A NE2  1 
ATOM   60   N  N    . ALA A 1 9   ? 11.95882  34.03102 -6.71800  1.000 40.83636 ? 9   ALA A N    1 
ATOM   61   C  CA   . ALA A 1 9   ? 11.24481  34.92415 -7.62343  1.000 42.81574 ? 9   ALA A CA   1 
ATOM   62   C  C    . ALA A 1 9   ? 10.77928  34.19363 -8.87990  1.000 43.92511 ? 9   ALA A C    1 
ATOM   63   O  O    . ALA A 1 9   ? 9.70048   34.48634 -9.40399  1.000 45.26947 ? 9   ALA A O    1 
ATOM   64   C  CB   . ALA A 1 9   ? 12.12201  36.11579 -8.00000  1.000 46.15074 ? 9   ALA A CB   1 
ATOM   65   N  N    . ILE A 1 10  ? 11.54033  33.22011 -9.36228  1.000 43.12020 ? 10  ILE A N    1 
ATOM   66   C  CA   . ILE A 1 10  ? 11.03460  32.45173 -10.49198 1.000 38.48280 ? 10  ILE A CA   1 
ATOM   67   C  C    . ILE A 1 10  ? 9.81931   31.64552 -10.06577 1.000 43.23554 ? 10  ILE A C    1 
ATOM   68   O  O    . ILE A 1 10  ? 8.82902   31.55885 -10.79529 1.000 41.00953 ? 10  ILE A O    1 
ATOM   69   C  CB   . ILE A 1 10  ? 12.12872  31.54986 -11.08632 1.000 43.56170 ? 10  ILE A CB   1 
ATOM   70   C  CG1  . ILE A 1 10  ? 13.26609  32.38490 -11.71617 1.000 40.55366 ? 10  ILE A CG1  1 
ATOM   71   C  CG2  . ILE A 1 10  ? 11.52369  30.62733 -12.14623 1.000 42.29613 ? 10  ILE A CG2  1 
ATOM   72   C  CD1  . ILE A 1 10  ? 12.88727  33.10994 -13.02174 1.000 43.51879 ? 10  ILE A CD1  1 
ATOM   73   N  N    . MET A 1 11  ? 9.83499   31.09955 -8.84988  1.000 42.71087 ? 11  MET A N    1 
ATOM   74   C  CA   . MET A 1 11  ? 8.73142   30.22846 -8.46097  1.000 42.64555 ? 11  MET A CA   1 
ATOM   75   C  C    . MET A 1 11  ? 7.47689   31.04559 -8.18101  1.000 39.09354 ? 11  MET A C    1 
ATOM   76   O  O    . MET A 1 11  ? 6.37120   30.65431 -8.58182  1.000 44.81310 ? 11  MET A O    1 
ATOM   77   C  CB   . MET A 1 11  ? 9.12482   29.34821 -7.26119  1.000 41.50384 ? 11  MET A CB   1 
ATOM   78   C  CG   . MET A 1 11  ? 10.35565  28.55753 -7.73054  1.000 53.72528 ? 11  MET A CG   1 
ATOM   79   S  SD   . MET A 1 11  ? 10.00028  27.08176 -8.78418  1.000 61.39643 ? 11  MET A SD   1 
ATOM   80   C  CE   . MET A 1 11  ? 8.78695   26.31647 -7.68980  1.000 45.88763 ? 11  MET A CE   1 
ATOM   81   N  N    . LYS A 1 12  ? 7.63871   32.21353 -7.55245  1.000 44.95518 ? 12  LYS A N    1 
ATOM   82   C  CA   . LYS A 1 12  ? 6.51577   33.10289 -7.25914  1.000 42.79895 ? 12  LYS A CA   1 
ATOM   83   C  C    . LYS A 1 12  ? 5.70571   33.41299 -8.50087  1.000 45.19123 ? 12  LYS A C    1 
ATOM   84   O  O    . LYS A 1 12  ? 4.46879   33.36692 -8.49017  1.000 43.93800 ? 12  LYS A O    1 
ATOM   85   C  CB   . LYS A 1 12  ? 7.03316   34.40705 -6.67206  1.000 44.71146 ? 12  LYS A CB   1 
ATOM   86   C  CG   . LYS A 1 12  ? 5.99245   35.16120 -5.87324  1.000 50.62442 ? 12  LYS A CG   1 
ATOM   87   N  N    . LYS A 1 13  ? 6.38487   33.76677 -9.58193  1.000 46.25342 ? 13  LYS A N    1 
ATOM   88   C  CA   . LYS A 1 13  ? 5.68477   34.35980 -10.70850 1.000 48.56473 ? 13  LYS A CA   1 
ATOM   89   C  C    . LYS A 1 13  ? 5.56991   33.43734 -11.90435 1.000 47.04060 ? 13  LYS A C    1 
ATOM   90   O  O    . LYS A 1 13  ? 4.74640   33.69360 -12.78883 1.000 49.86303 ? 13  LYS A O    1 
ATOM   91   C  CB   . LYS A 1 13  ? 6.40927   35.64978 -11.11622 1.000 53.00588 ? 13  LYS A CB   1 
ATOM   92   C  CG   . LYS A 1 13  ? 5.82600   36.86076 -10.40035 1.000 51.92796 ? 13  LYS A CG   1 
ATOM   93   C  CD   . LYS A 1 13  ? 6.88813   37.92295 -10.18869 1.000 59.38346 ? 13  LYS A CD   1 
ATOM   94   C  CE   . LYS A 1 13  ? 6.25470   39.30639 -10.07298 1.000 67.86863 ? 13  LYS A CE   1 
ATOM   95   N  NZ   . LYS A 1 13  ? 7.02538   40.32115 -10.84160 1.000 71.82323 ? 13  LYS A NZ   1 
ATOM   96   N  N    . ASN A 1 14  ? 6.36494   32.37646 -11.97371 1.000 41.85005 ? 14  ASN A N    1 
ATOM   97   C  CA   . ASN A 1 14  ? 6.42849   31.61983 -13.22151 1.000 43.49341 ? 14  ASN A CA   1 
ATOM   98   C  C    . ASN A 1 14  ? 6.25750   30.13311 -13.00148 1.000 43.88948 ? 14  ASN A C    1 
ATOM   99   O  O    . ASN A 1 14  ? 6.71443   29.36015 -13.84427 1.000 39.23447 ? 14  ASN A O    1 
ATOM   100  C  CB   . ASN A 1 14  ? 7.75010   31.82593 -13.95491 1.000 41.15767 ? 14  ASN A CB   1 
ATOM   101  C  CG   . ASN A 1 14  ? 7.85476   33.16694 -14.61540 1.000 45.44965 ? 14  ASN A CG   1 
ATOM   102  O  OD1  . ASN A 1 14  ? 8.17882   34.14066 -13.96127 1.000 44.08478 ? 14  ASN A OD1  1 
ATOM   103  N  ND2  . ASN A 1 14  ? 7.60570   33.22186 -15.94933 1.000 41.74385 ? 14  ASN A ND2  1 
ATOM   104  N  N    . THR A 1 15  ? 5.68060   29.68849 -11.87809 1.000 36.48848 ? 15  THR A N    1 
ATOM   105  C  CA   . THR A 1 15  ? 5.32807   28.27717 -11.81392 1.000 34.12935 ? 15  THR A CA   1 
ATOM   106  C  C    . THR A 1 15  ? 3.85969   28.09564 -11.46952 1.000 40.23062 ? 15  THR A C    1 
ATOM   107  O  O    . THR A 1 15  ? 3.23211   28.94964 -10.83635 1.000 45.71409 ? 15  THR A O    1 
ATOM   108  C  CB   . THR A 1 15  ? 6.17781   27.48936 -10.84262 1.000 41.68880 ? 15  THR A CB   1 
ATOM   109  O  OG1  . THR A 1 15  ? 6.12761   28.10173 -9.54734  1.000 41.64915 ? 15  THR A OG1  1 
ATOM   110  C  CG2  . THR A 1 15  ? 7.61669   27.47196 -11.33123 1.000 40.26486 ? 15  THR A CG2  1 
ATOM   111  N  N    . VAL A 1 16  ? 3.32560   26.94722 -11.90190 1.000 37.95015 ? 16  VAL A N    1 
ATOM   112  C  CA   . VAL A 1 16  ? 1.96586   26.52448 -11.60783 1.000 36.97639 ? 16  VAL A CA   1 
ATOM   113  C  C    . VAL A 1 16  ? 2.03560   25.02231 -11.40337 1.000 39.22112 ? 16  VAL A C    1 
ATOM   114  O  O    . VAL A 1 16  ? 3.02759   24.37710 -11.75181 1.000 37.00309 ? 16  VAL A O    1 
ATOM   115  C  CB   . VAL A 1 16  ? 0.94517   26.87041 -12.72361 1.000 42.55581 ? 16  VAL A CB   1 
ATOM   116  C  CG1  . VAL A 1 16  ? 0.82858   28.38688 -12.91553 1.000 44.78006 ? 16  VAL A CG1  1 
ATOM   117  C  CG2  . VAL A 1 16  ? 1.26305   26.12586 -14.07322 1.000 35.67918 ? 16  VAL A CG2  1 
ATOM   118  N  N    . VAL A 1 17  ? 0.97176   24.47077 -10.81442 1.000 38.39991 ? 17  VAL A N    1 
ATOM   119  C  CA   . VAL A 1 17  ? 0.81747   23.02567 -10.64479 1.000 39.37087 ? 17  VAL A CA   1 
ATOM   120  C  C    . VAL A 1 17  ? 0.06718   22.48795 -11.85568 1.000 39.66471 ? 17  VAL A C    1 
ATOM   121  O  O    . VAL A 1 17  ? -1.07674  22.88633 -12.10776 1.000 40.00267 ? 17  VAL A O    1 
ATOM   122  C  CB   . VAL A 1 17  ? 0.05532   22.68793 -9.35522  1.000 40.22185 ? 17  VAL A CB   1 
ATOM   123  C  CG1  . VAL A 1 17  ? -0.01107  21.17530 -9.17660  1.000 38.91777 ? 17  VAL A CG1  1 
ATOM   124  C  CG2  . VAL A 1 17  ? 0.71106   23.34456 -8.16271  1.000 40.70365 ? 17  VAL A CG2  1 
ATOM   125  N  N    . ALA A 1 18  ? 0.68319   21.56516 -12.58279 1.000 35.55135 ? 18  ALA A N    1 
ATOM   126  C  CA   . ALA A 1 18  ? 0.06313   20.96756 -13.74851 1.000 39.04604 ? 18  ALA A CA   1 
ATOM   127  C  C    . ALA A 1 18  ? -0.26268  19.52540 -13.41587 1.000 39.95856 ? 18  ALA A C    1 
ATOM   128  O  O    . ALA A 1 18  ? 0.55350   18.83318 -12.81657 1.000 45.44743 ? 18  ALA A O    1 
ATOM   129  C  CB   . ALA A 1 18  ? 0.99008   21.03489 -14.97345 1.000 36.13283 ? 18  ALA A CB   1 
ATOM   130  N  N    . ARG A 1 19  ? -1.46267  19.08090 -13.78069 1.000 39.42852 ? 19  ARG A N    1 
ATOM   131  C  CA   . ARG A 1 19  ? -1.88683  17.70397 -13.54106 1.000 43.83410 ? 19  ARG A CA   1 
ATOM   132  C  C    . ARG A 1 19  ? -2.39587  17.12842 -14.85369 1.000 41.14505 ? 19  ARG A C    1 
ATOM   133  O  O    . ARG A 1 19  ? -3.28693  17.71138 -15.48583 1.000 44.38791 ? 19  ARG A O    1 
ATOM   134  C  CB   . ARG A 1 19  ? -2.96901  17.62797 -12.45233 1.000 39.66473 ? 19  ARG A CB   1 
ATOM   135  C  CG   . ARG A 1 19  ? -3.55293  16.23331 -12.28149 1.000 46.04558 ? 19  ARG A CG   1 
ATOM   136  C  CD   . ARG A 1 19  ? -4.39398  16.07611 -10.99590 1.000 50.07123 ? 19  ARG A CD   1 
ATOM   137  N  NE   . ARG A 1 19  ? -5.13737  17.29014 -10.66095 1.000 52.51016 ? 19  ARG A NE   1 
ATOM   138  C  CZ   . ARG A 1 19  ? -6.43749  17.46837 -10.87844 1.000 51.37964 ? 19  ARG A CZ   1 
ATOM   139  N  NH1  . ARG A 1 19  ? -7.16599  16.55841 -11.50710 1.000 52.79285 ? 19  ARG A NH1  1 
ATOM   140  N  NH2  . ARG A 1 19  ? -7.02331  18.58481 -10.44289 1.000 54.54270 ? 19  ARG A NH2  1 
ATOM   141  N  N    . THR A 1 20  ? -1.77415  16.02616 -15.29145 1.000 42.73905 ? 20  THR A N    1 
ATOM   142  C  CA   . THR A 1 20  ? -2.15361  15.20829 -16.43614 1.000 46.75483 ? 20  THR A CA   1 
ATOM   143  C  C    . THR A 1 20  ? -2.62180  13.86168 -15.90452 1.000 49.95607 ? 20  THR A C    1 
ATOM   144  O  O    . THR A 1 20  ? -2.73284  13.65266 -14.68085 1.000 48.03775 ? 20  THR A O    1 
ATOM   145  C  CB   . THR A 1 20  ? -0.97899  15.02196 -17.40675 1.000 44.00885 ? 20  THR A CB   1 
ATOM   146  O  OG1  . THR A 1 20  ? -0.02266  14.10737 -16.82582 1.000 41.76706 ? 20  THR A OG1  1 
ATOM   147  C  CG2  . THR A 1 20  ? -0.30842  16.35983 -17.75922 1.000 37.62395 ? 20  THR A CG2  1 
ATOM   148  N  N    . GLU A 1 21  ? -2.86418  12.94349 -16.82642 1.000 45.24229 ? 21  GLU A N    1 
ATOM   149  C  CA   . GLU A 1 21  ? -3.18312  11.55744 -16.50482 1.000 49.15580 ? 21  GLU A CA   1 
ATOM   150  C  C    . GLU A 1 21  ? -2.04143  10.86374 -15.79473 1.000 49.43027 ? 21  GLU A C    1 
ATOM   151  O  O    . GLU A 1 21  ? -2.26046  9.82522  -15.17056 1.000 55.27530 ? 21  GLU A O    1 
ATOM   152  C  CB   . GLU A 1 21  ? -3.53643  10.79990 -17.80214 1.000 54.64555 ? 21  GLU A CB   1 
ATOM   153  C  CG   . GLU A 1 21  ? -2.32565  10.64051 -18.75833 1.000 56.18220 ? 21  GLU A CG   1 
ATOM   154  C  CD   . GLU A 1 21  ? -2.49521  9.58035  -19.88176 1.000 62.24653 ? 21  GLU A CD   1 
ATOM   155  O  OE1  . GLU A 1 21  ? -2.26824  9.94880  -21.04836 1.000 59.83898 ? 21  GLU A OE1  1 
ATOM   156  O  OE2  . GLU A 1 21  ? -2.82189  8.39676  -19.60765 1.000 70.04716 ? 21  GLU A OE2  1 
ATOM   157  N  N    . LYS A 1 22  ? -0.82893  11.40567 -15.86693 1.000 48.53683 ? 22  LYS A N    1 
ATOM   158  C  CA   . LYS A 1 22  ? 0.27970   10.78793 -15.16274 1.000 46.97774 ? 22  LYS A CA   1 
ATOM   159  C  C    . LYS A 1 22  ? 0.43156   11.30458 -13.74110 1.000 47.79163 ? 22  LYS A C    1 
ATOM   160  O  O    . LYS A 1 22  ? 1.16277   10.69769 -12.96361 1.000 48.65053 ? 22  LYS A O    1 
ATOM   161  C  CB   . LYS A 1 22  ? 1.59749   11.01022 -15.91115 1.000 48.55123 ? 22  LYS A CB   1 
ATOM   162  C  CG   . LYS A 1 22  ? 1.66299   10.30960 -17.26266 1.000 49.10299 ? 22  LYS A CG   1 
ATOM   163  C  CD   . LYS A 1 22  ? 1.06908   8.93726  -17.18571 1.000 50.36308 ? 22  LYS A CD   1 
ATOM   164  C  CE   . LYS A 1 22  ? 1.47591   8.12211  -18.42134 1.000 58.75604 ? 22  LYS A CE   1 
ATOM   165  N  NZ   . LYS A 1 22  ? 0.52419   6.99220  -18.65832 1.000 59.04172 ? 22  LYS A NZ   1 
ATOM   166  N  N    . GLY A 1 23  ? -0.20366  12.41652 -13.39588 1.000 46.23688 ? 23  GLY A N    1 
ATOM   167  C  CA   . GLY A 1 23  ? -0.12976  12.95677 -12.06227 1.000 45.65513 ? 23  GLY A CA   1 
ATOM   168  C  C    . GLY A 1 23  ? 0.28745   14.41208 -12.09232 1.000 46.86278 ? 23  GLY A C    1 
ATOM   169  O  O    . GLY A 1 23  ? 0.16417   15.10008 -13.10802 1.000 44.73450 ? 23  GLY A O    1 
ATOM   170  N  N    . GLU A 1 24  ? 0.82000   14.89217 -10.98163 1.000 43.45655 ? 24  GLU A N    1 
ATOM   171  C  CA   . GLU A 1 24  ? 1.11205   16.30722 -10.80269 1.000 41.94290 ? 24  GLU A CA   1 
ATOM   172  C  C    . GLU A 1 24  ? 2.57582   16.56118 -11.11169 1.000 41.04521 ? 24  GLU A C    1 
ATOM   173  O  O    . GLU A 1 24  ? 3.43410   15.74499 -10.77250 1.000 43.58960 ? 24  GLU A O    1 
ATOM   174  C  CB   . GLU A 1 24  ? 0.80373   16.72657 -9.36166  1.000 43.07178 ? 24  GLU A CB   1 
ATOM   175  C  CG   . GLU A 1 24  ? -0.65285  17.11505 -9.11449  1.000 46.35078 ? 24  GLU A CG   1 
ATOM   176  C  CD   . GLU A 1 24  ? -0.82345  17.95233 -7.84883  1.000 49.88989 ? 24  GLU A CD   1 
ATOM   177  O  OE1  . GLU A 1 24  ? -1.97176  18.36861 -7.53103  1.000 49.04838 ? 24  GLU A OE1  1 
ATOM   178  O  OE2  . GLU A 1 24  ? 0.19836   18.15828 -7.14618  1.000 47.95030 ? 24  GLU A OE2  1 
ATOM   179  N  N    . PHE A 1 25  ? 2.85065   17.71031 -11.73147 1.000 38.16983 ? 25  PHE A N    1 
ATOM   180  C  CA   . PHE A 1 25  ? 4.18020   18.15655 -12.11317 1.000 36.26537 ? 25  PHE A CA   1 
ATOM   181  C  C    . PHE A 1 25  ? 4.26741   19.63923 -11.80667 1.000 35.22858 ? 25  PHE A C    1 
ATOM   182  O  O    . PHE A 1 25  ? 3.32048   20.37938 -12.10108 1.000 39.76933 ? 25  PHE A O    1 
ATOM   183  C  CB   . PHE A 1 25  ? 4.43421   17.94455 -13.66618 1.000 35.73080 ? 25  PHE A CB   1 
ATOM   184  C  CG   . PHE A 1 25  ? 4.42982   16.50706 -14.08927 1.000 39.24488 ? 25  PHE A CG   1 
ATOM   185  C  CD1  . PHE A 1 25  ? 3.23548   15.83609 -14.31110 1.000 42.22484 ? 25  PHE A CD1  1 
ATOM   186  C  CD2  . PHE A 1 25  ? 5.61704   15.81567 -14.24573 1.000 39.33637 ? 25  PHE A CD2  1 
ATOM   187  C  CE1  . PHE A 1 25  ? 3.22395   14.49724 -14.66889 1.000 41.85865 ? 25  PHE A CE1  1 
ATOM   188  C  CE2  . PHE A 1 25  ? 5.61491   14.48597 -14.58591 1.000 40.09649 ? 25  PHE A CE2  1 
ATOM   189  C  CZ   . PHE A 1 25  ? 4.40366   13.81918 -14.80564 1.000 41.63215 ? 25  PHE A CZ   1 
ATOM   190  N  N    . THR A 1 26  ? 5.41978   20.09189 -11.30862 1.000 35.48409 ? 26  THR A N    1 
ATOM   191  C  CA   . THR A 1 26  ? 5.75453   21.51486 -11.37281 1.000 32.89525 ? 26  THR A CA   1 
ATOM   192  C  C    . THR A 1 26  ? 5.79159   21.94071 -12.83801 1.000 37.66477 ? 26  THR A C    1 
ATOM   193  O  O    . THR A 1 26  ? 6.33940   21.22745 -13.67201 1.000 33.85743 ? 26  THR A O    1 
ATOM   194  C  CB   . THR A 1 26  ? 7.11712   21.74589 -10.71886 1.000 37.44095 ? 26  THR A CB   1 
ATOM   195  O  OG1  . THR A 1 26  ? 7.10889   21.20910 -9.37696  1.000 37.35276 ? 26  THR A OG1  1 
ATOM   196  C  CG2  . THR A 1 26  ? 7.51886   23.22463 -10.69807 1.000 35.05844 ? 26  THR A CG2  1 
ATOM   197  N  N    . MET A 1 27  ? 5.21961   23.09738 -13.17632 1.000 36.67535 ? 27  MET A N    1 
ATOM   198  C  CA   . MET A 1 27  ? 5.25293   23.51102 -14.57680 1.000 37.68463 ? 27  MET A CA   1 
ATOM   199  C  C    . MET A 1 27  ? 5.76836   24.94864 -14.65249 1.000 40.53960 ? 27  MET A C    1 
ATOM   200  O  O    . MET A 1 27  ? 5.19366   25.85871 -14.03857 1.000 35.93698 ? 27  MET A O    1 
ATOM   201  C  CB   . MET A 1 27  ? 3.87759   23.38716 -15.23280 1.000 39.35421 ? 27  MET A CB   1 
ATOM   202  C  CG   . MET A 1 27  ? 3.55545   24.46671 -16.29822 1.000 39.82114 ? 27  MET A CG   1 
ATOM   203  S  SD   . MET A 1 27  ? 2.02125   24.16607 -17.21299 1.000 44.45689 ? 27  MET A SD   1 
ATOM   204  C  CE   . MET A 1 27  ? 2.25837   22.57967 -18.03504 1.000 40.63690 ? 27  MET A CE   1 
ATOM   205  N  N    . LEU A 1 28  ? 6.85787   25.15160 -15.39879 1.000 38.04273 ? 28  LEU A N    1 
ATOM   206  C  CA   . LEU A 1 28  ? 7.44741   26.47913 -15.55854 1.000 37.36561 ? 28  LEU A CA   1 
ATOM   207  C  C    . LEU A 1 28  ? 6.75968   27.22857 -16.70177 1.000 40.78540 ? 28  LEU A C    1 
ATOM   208  O  O    . LEU A 1 28  ? 6.72227   26.73792 -17.83063 1.000 38.31794 ? 28  LEU A O    1 
ATOM   209  C  CB   . LEU A 1 28  ? 8.94481   26.34446 -15.83378 1.000 35.71789 ? 28  LEU A CB   1 
ATOM   210  C  CG   . LEU A 1 28  ? 9.64202   27.64868 -16.19255 1.000 39.47103 ? 28  LEU A CG   1 
ATOM   211  C  CD1  . LEU A 1 28  ? 9.86792   28.51673 -14.92432 1.000 39.15317 ? 28  LEU A CD1  1 
ATOM   212  C  CD2  . LEU A 1 28  ? 10.97230  27.29734 -16.79536 1.000 39.28577 ? 28  LEU A CD2  1 
ATOM   213  N  N    . GLY A 1 29  ? 6.23386   28.42208 -16.43253 1.000 39.39727 ? 29  GLY A N    1 
ATOM   214  C  CA   . GLY A 1 29  ? 5.73232   29.27420 -17.49251 1.000 39.60864 ? 29  GLY A CA   1 
ATOM   215  C  C    . GLY A 1 29  ? 6.86945   30.15040 -17.98892 1.000 43.31238 ? 29  GLY A C    1 
ATOM   216  O  O    . GLY A 1 29  ? 7.64042   30.68433 -17.20084 1.000 39.84360 ? 29  GLY A O    1 
ATOM   217  N  N    . VAL A 1 30  ? 6.99618   30.26846 -19.31011 1.000 40.73960 ? 30  VAL A N    1 
ATOM   218  C  CA   . VAL A 1 30  ? 8.14841   30.93138 -19.90403 1.000 37.02301 ? 30  VAL A CA   1 
ATOM   219  C  C    . VAL A 1 30  ? 7.81233   32.32948 -20.41814 1.000 41.80143 ? 30  VAL A C    1 
ATOM   220  O  O    . VAL A 1 30  ? 8.56755   33.28113 -20.21155 1.000 37.06269 ? 30  VAL A O    1 
ATOM   221  C  CB   . VAL A 1 30  ? 8.72069   30.03148 -21.01391 1.000 42.78305 ? 30  VAL A CB   1 
ATOM   222  C  CG1  . VAL A 1 30  ? 9.91260   30.69427 -21.73497 1.000 40.99475 ? 30  VAL A CG1  1 
ATOM   223  C  CG2  . VAL A 1 30  ? 9.10402   28.70423 -20.38885 1.000 38.91966 ? 30  VAL A CG2  1 
ATOM   224  N  N    . HIS A 1 31  ? 6.70493   32.46480 -21.13279 1.000 44.72118 ? 31  HIS A N    1 
ATOM   225  C  CA   . HIS A 1 31  ? 6.27841   33.75485 -21.65761 1.000 44.50901 ? 31  HIS A CA   1 
ATOM   226  C  C    . HIS A 1 31  ? 4.85179   33.58870 -22.15038 1.000 45.41072 ? 31  HIS A C    1 
ATOM   227  O  O    . HIS A 1 31  ? 4.42568   32.47955 -22.48592 1.000 45.85472 ? 31  HIS A O    1 
ATOM   228  C  CB   . HIS A 1 31  ? 7.19264   34.25326 -22.79734 1.000 44.89881 ? 31  HIS A CB   1 
ATOM   229  C  CG   . HIS A 1 31  ? 7.06351   33.48175 -24.08070 1.000 45.88842 ? 31  HIS A CG   1 
ATOM   230  N  ND1  . HIS A 1 31  ? 6.32600   33.93645 -25.15767 1.000 48.58254 ? 31  HIS A ND1  1 
ATOM   231  C  CD2  . HIS A 1 31  ? 7.58901   32.29321 -24.46639 1.000 44.94303 ? 31  HIS A CD2  1 
ATOM   232  C  CE1  . HIS A 1 31  ? 6.40286   33.06362 -26.14728 1.000 45.83800 ? 31  HIS A CE1  1 
ATOM   233  N  NE2  . HIS A 1 31  ? 7.16249   32.05506 -25.75560 1.000 48.19569 ? 31  HIS A NE2  1 
ATOM   234  N  N    . ASP A 1 32  ? 4.11909   34.69217 -22.17272 1.000 46.01179 ? 32  ASP A N    1 
ATOM   235  C  CA   . ASP A 1 32  ? 2.73034   34.70269 -22.61323 1.000 49.04024 ? 32  ASP A CA   1 
ATOM   236  C  C    . ASP A 1 32  ? 1.94812   33.54960 -22.00134 1.000 46.66533 ? 32  ASP A C    1 
ATOM   237  O  O    . ASP A 1 32  ? 1.80188   33.48063 -20.77162 1.000 45.11708 ? 32  ASP A O    1 
ATOM   238  C  CB   . ASP A 1 32  ? 2.64660   34.67812 -24.14791 1.000 47.18839 ? 32  ASP A CB   1 
ATOM   239  C  CG   . ASP A 1 32  ? 3.35124   35.89963 -24.78034 1.000 55.11185 ? 32  ASP A CG   1 
ATOM   240  O  OD1  . ASP A 1 32  ? 2.67640   36.93157 -25.00996 1.000 61.75098 ? 32  ASP A OD1  1 
ATOM   241  O  OD2  . ASP A 1 32  ? 4.55575   35.80637 -25.15275 1.000 55.76541 ? 32  ASP A OD2  1 
ATOM   242  N  N    . ARG A 1 33  ? 1.38731   32.65769 -22.82591 1.000 44.43390 ? 33  ARG A N    1 
ATOM   243  C  CA   . ARG A 1 33  ? 0.68993   31.49906 -22.27167 1.000 39.51949 ? 33  ARG A CA   1 
ATOM   244  C  C    . ARG A 1 33  ? 1.41907   30.20408 -22.59353 1.000 38.44424 ? 33  ARG A C    1 
ATOM   245  O  O    . ARG A 1 33  ? 0.80882   29.13401 -22.71668 1.000 39.46788 ? 33  ARG A O    1 
ATOM   246  C  CB   . ARG A 1 33  ? -0.76232  31.43780 -22.72423 1.000 39.56759 ? 33  ARG A CB   1 
ATOM   247  C  CG   . ARG A 1 33  ? -1.67926  32.38413 -21.98915 1.000 47.79644 ? 33  ARG A CG   1 
ATOM   248  C  CD   . ARG A 1 33  ? -2.15354  33.47628 -22.88273 1.000 45.35776 ? 33  ARG A CD   1 
ATOM   249  N  NE   . ARG A 1 33  ? -2.88514  34.50584 -22.15465 1.000 49.42975 ? 33  ARG A NE   1 
ATOM   250  C  CZ   . ARG A 1 33  ? -3.10450  35.72702 -22.62450 1.000 51.50457 ? 33  ARG A CZ   1 
ATOM   251  N  NH1  . ARG A 1 33  ? -2.58763  36.12513 -23.77454 1.000 54.72888 ? 33  ARG A NH1  1 
ATOM   252  N  NH2  . ARG A 1 33  ? -3.87015  36.56505 -21.92886 1.000 52.23126 ? 33  ARG A NH2  1 
ATOM   253  N  N    . VAL A 1 34  ? 2.73877   30.27936 -22.67633 1.000 37.96715 ? 34  VAL A N    1 
ATOM   254  C  CA   . VAL A 1 34  ? 3.56637   29.15881 -23.11171 1.000 42.80859 ? 34  VAL A CA   1 
ATOM   255  C  C    . VAL A 1 34  ? 4.36290   28.66334 -21.91152 1.000 40.02029 ? 34  VAL A C    1 
ATOM   256  O  O    . VAL A 1 34  ? 5.00910   29.46906 -21.23045 1.000 40.98673 ? 34  VAL A O    1 
ATOM   257  C  CB   . VAL A 1 34  ? 4.49906   29.58624 -24.26279 1.000 41.11660 ? 34  VAL A CB   1 
ATOM   258  C  CG1  . VAL A 1 34  ? 5.54926   28.50471 -24.53925 1.000 38.21334 ? 34  VAL A CG1  1 
ATOM   259  C  CG2  . VAL A 1 34  ? 3.66982   29.89431 -25.53951 1.000 42.61525 ? 34  VAL A CG2  1 
ATOM   260  N  N    . ALA A 1 35  ? 4.33693   27.33788 -21.67376 1.000 38.81589 ? 35  ALA A N    1 
ATOM   261  C  CA   . ALA A 1 35  ? 4.97337   26.70278 -20.51705 1.000 38.73524 ? 35  ALA A CA   1 
ATOM   262  C  C    . ALA A 1 35  ? 5.66702   25.42328 -20.98991 1.000 39.87799 ? 35  ALA A C    1 
ATOM   263  O  O    . ALA A 1 35  ? 5.59032   25.04761 -22.16352 1.000 38.89751 ? 35  ALA A O    1 
ATOM   264  C  CB   . ALA A 1 35  ? 3.94823   26.40976 -19.40486 1.000 34.00350 ? 35  ALA A CB   1 
ATOM   265  N  N    . VAL A 1 36  ? 6.36223   24.76193 -20.07521 1.000 36.26903 ? 36  VAL A N    1 
ATOM   266  C  CA   . VAL A 1 36  ? 7.03653   23.49704 -20.32840 1.000 31.58885 ? 36  VAL A CA   1 
ATOM   267  C  C    . VAL A 1 36  ? 6.65749   22.47125 -19.27576 1.000 40.20213 ? 36  VAL A C    1 
ATOM   268  O  O    . VAL A 1 36  ? 6.31860   22.78871 -18.12182 1.000 37.28093 ? 36  VAL A O    1 
ATOM   269  C  CB   . VAL A 1 36  ? 8.57722   23.65064 -20.39312 1.000 30.79832 ? 36  VAL A CB   1 
ATOM   270  C  CG1  . VAL A 1 36  ? 9.01404   24.39535 -21.68742 1.000 33.63708 ? 36  VAL A CG1  1 
ATOM   271  C  CG2  . VAL A 1 36  ? 9.14149   24.33982 -19.09683 1.000 37.40405 ? 36  VAL A CG2  1 
ATOM   272  N  N    . ILE A 1 37  ? 6.79851   21.21337 -19.67198 1.000 41.95471 ? 37  ILE A N    1 
ATOM   273  C  CA   . ILE A 1 37  ? 6.49618   20.07118 -18.80436 1.000 39.55678 ? 37  ILE A CA   1 
ATOM   274  C  C    . ILE A 1 37  ? 7.30166   18.88027 -19.32376 1.000 39.15625 ? 37  ILE A C    1 
ATOM   275  O  O    . ILE A 1 37  ? 7.51790   18.76684 -20.54157 1.000 45.35849 ? 37  ILE A O    1 
ATOM   276  C  CB   . ILE A 1 37  ? 4.98794   19.78239 -18.80479 1.000 39.92664 ? 37  ILE A CB   1 
ATOM   277  C  CG1  . ILE A 1 37  ? 4.62096   18.67411 -17.82819 1.000 39.39876 ? 37  ILE A CG1  1 
ATOM   278  C  CG2  . ILE A 1 37  ? 4.54751   19.38883 -20.20162 1.000 41.85983 ? 37  ILE A CG2  1 
ATOM   279  C  CD1  . ILE A 1 37  ? 3.13268   18.72463 -17.41886 1.000 42.57111 ? 37  ILE A CD1  1 
ATOM   280  N  N    . PRO A 1 38  ? 7.80297   17.99914 -18.46722 1.000 39.42433 ? 38  PRO A N    1 
ATOM   281  C  CA   . PRO A 1 38  ? 8.47360   16.79560 -18.97216 1.000 38.24016 ? 38  PRO A CA   1 
ATOM   282  C  C    . PRO A 1 38  ? 7.61486   16.09094 -20.01413 1.000 42.99045 ? 38  PRO A C    1 
ATOM   283  O  O    . PRO A 1 38  ? 6.39181   15.96224 -19.86127 1.000 41.08158 ? 38  PRO A O    1 
ATOM   284  C  CB   . PRO A 1 38  ? 8.64182   15.93775 -17.72244 1.000 43.46036 ? 38  PRO A CB   1 
ATOM   285  C  CG   . PRO A 1 38  ? 8.71754   16.91970 -16.62984 1.000 37.31574 ? 38  PRO A CG   1 
ATOM   286  C  CD   . PRO A 1 38  ? 7.80922   18.05960 -16.98778 1.000 37.51279 ? 38  PRO A CD   1 
ATOM   287  N  N    . THR A 1 39  ? 8.25816   15.62993 -21.09441 1.000 42.76255 ? 39  THR A N    1 
ATOM   288  C  CA   . THR A 1 39  ? 7.48488   14.94460 -22.12710 1.000 42.71124 ? 39  THR A CA   1 
ATOM   289  C  C    . THR A 1 39  ? 6.75720   13.72556 -21.57423 1.000 43.59146 ? 39  THR A C    1 
ATOM   290  O  O    . THR A 1 39  ? 5.64633   13.40781 -22.00836 1.000 43.40343 ? 39  THR A O    1 
ATOM   291  C  CB   . THR A 1 39  ? 8.39236   14.54407 -23.28559 1.000 43.44988 ? 39  THR A CB   1 
ATOM   292  O  OG1  . THR A 1 39  ? 8.94731   15.72793 -23.86079 1.000 44.74323 ? 39  THR A OG1  1 
ATOM   293  C  CG2  . THR A 1 39  ? 7.59302   13.79770 -24.36671 1.000 42.42828 ? 39  THR A CG2  1 
ATOM   294  N  N    . HIS A 1 40  ? 7.32710   13.06387 -20.58356 1.000 50.08372 ? 40  HIS A N    1 
ATOM   295  C  CA   . HIS A 1 40  ? 6.72645   11.83549 -20.07814 1.000 50.57531 ? 40  HIS A CA   1 
ATOM   296  C  C    . HIS A 1 40  ? 5.51236   12.08270 -19.18665 1.000 43.81653 ? 40  HIS A C    1 
ATOM   297  O  O    . HIS A 1 40  ? 4.89706   11.12595 -18.71883 1.000 45.24997 ? 40  HIS A O    1 
ATOM   298  C  CB   . HIS A 1 40  ? 7.82952   11.01526 -19.40479 1.000 49.16146 ? 40  HIS A CB   1 
ATOM   299  C  CG   . HIS A 1 40  ? 8.46705   10.04253 -20.35293 1.000 57.79978 ? 40  HIS A CG   1 
ATOM   300  N  ND1  . HIS A 1 40  ? 9.10922   10.45571 -21.50894 1.000 56.83035 ? 40  HIS A ND1  1 
ATOM   301  C  CD2  . HIS A 1 40  ? 8.63462   8.69873  -20.29046 1.000 59.32335 ? 40  HIS A CD2  1 
ATOM   302  C  CE1  . HIS A 1 40  ? 9.57450   9.40190  -22.15576 1.000 58.69720 ? 40  HIS A CE1  1 
ATOM   303  N  NE2  . HIS A 1 40  ? 9.31850   8.32475  -21.42739 1.000 63.11579 ? 40  HIS A NE2  1 
ATOM   304  N  N    . ALA A 1 41  ? 5.09056   13.33266 -19.03445 1.000 42.28201 ? 41  ALA A N    1 
ATOM   305  C  CA   . ALA A 1 41  ? 3.80848   13.61981 -18.41291 1.000 42.26481 ? 41  ALA A CA   1 
ATOM   306  C  C    . ALA A 1 41  ? 2.60156   13.30395 -19.30429 1.000 45.08150 ? 41  ALA A C    1 
ATOM   307  O  O    . ALA A 1 41  ? 1.47523   13.30465 -18.80138 1.000 44.42386 ? 41  ALA A O    1 
ATOM   308  C  CB   . ALA A 1 41  ? 3.77535   15.09377 -17.99963 1.000 42.63643 ? 41  ALA A CB   1 
ATOM   309  N  N    . SER A 1 42  ? 2.78353   13.05520 -20.60967 1.000 47.65143 ? 42  SER A N    1 
ATOM   310  C  CA   . SER A 1 42  ? 1.67608   12.69861 -21.51936 1.000 46.10809 ? 42  SER A CA   1 
ATOM   311  C  C    . SER A 1 42  ? 0.56946   13.75149 -21.53424 1.000 40.33715 ? 42  SER A C    1 
ATOM   312  O  O    . SER A 1 42  ? -0.58886  13.46245 -21.25950 1.000 43.76422 ? 42  SER A O    1 
ATOM   313  C  CB   . SER A 1 42  ? 1.07122   11.34337 -21.15432 1.000 53.26181 ? 42  SER A CB   1 
ATOM   314  O  OG   . SER A 1 42  ? 1.99068   10.29801 -21.39136 1.000 62.22568 ? 42  SER A OG   1 
ATOM   315  N  N    . VAL A 1 43  ? 0.94998   14.98720 -21.84750 1.000 41.77925 ? 43  VAL A N    1 
ATOM   316  C  CA   . VAL A 1 43  ? -0.03081  16.04137 -22.09480 1.000 43.45645 ? 43  VAL A CA   1 
ATOM   317  C  C    . VAL A 1 43  ? -1.02195  15.64409 -23.16959 1.000 48.12797 ? 43  VAL A C    1 
ATOM   318  O  O    . VAL A 1 43  ? -0.63600  15.14400 -24.23142 1.000 42.66794 ? 43  VAL A O    1 
ATOM   319  C  CB   . VAL A 1 43  ? 0.69441   17.32236 -22.52663 1.000 48.98634 ? 43  VAL A CB   1 
ATOM   320  C  CG1  . VAL A 1 43  ? -0.19466  18.55273 -22.31078 1.000 41.99590 ? 43  VAL A CG1  1 
ATOM   321  C  CG2  . VAL A 1 43  ? 1.98622   17.42460 -21.70978 1.000 50.35032 ? 43  VAL A CG2  1 
ATOM   322  N  N    . GLY A 1 44  ? -2.30476  15.93540 -22.93241 1.000 45.17312 ? 44  GLY A N    1 
ATOM   323  C  CA   . GLY A 1 44  ? -3.28518  15.71854 -23.98745 1.000 49.10980 ? 44  GLY A CA   1 
ATOM   324  C  C    . GLY A 1 44  ? -3.93126  16.98862 -24.51416 1.000 43.85711 ? 44  GLY A C    1 
ATOM   325  O  O    . GLY A 1 44  ? -3.26209  18.00559 -24.69021 1.000 46.45866 ? 44  GLY A O    1 
ATOM   326  N  N    . GLU A 1 45  ? -5.24424  16.92976 -24.73676 1.000 41.00521 ? 45  GLU A N    1 
ATOM   327  C  CA   . GLU A 1 45  ? -6.07538  18.02194 -25.22523 1.000 47.10964 ? 45  GLU A CA   1 
ATOM   328  C  C    . GLU A 1 45  ? -6.38573  19.03253 -24.13538 1.000 46.05244 ? 45  GLU A C    1 
ATOM   329  O  O    . GLU A 1 45  ? -6.56665  20.22886 -24.41982 1.000 48.14374 ? 45  GLU A O    1 
ATOM   330  C  CB   . GLU A 1 45  ? -7.39492  17.42808 -25.71707 1.000 50.47038 ? 45  GLU A CB   1 
ATOM   331  C  CG   . GLU A 1 45  ? -7.32875  16.76052 -27.01373 1.000 55.70348 ? 45  GLU A CG   1 
ATOM   332  C  CD   . GLU A 1 45  ? -8.67924  16.67430 -27.68552 1.000 50.27236 ? 45  GLU A CD   1 
ATOM   333  O  OE1  . GLU A 1 45  ? -9.74533  16.68729 -27.01922 1.000 56.23749 ? 45  GLU A OE1  1 
ATOM   334  O  OE2  . GLU A 1 45  ? -8.66054  16.61138 -28.90320 1.000 61.87848 ? 45  GLU A OE2  1 
ATOM   335  N  N    . THR A 1 46  ? -6.55055  18.55492 -22.90193 1.000 46.39786 ? 46  THR A N    1 
ATOM   336  C  CA   . THR A 1 46  ? -6.78334  19.40571 -21.74238 1.000 47.18701 ? 46  THR A CA   1 
ATOM   337  C  C    . THR A 1 46  ? -5.80371  19.05770 -20.62662 1.000 44.55316 ? 46  THR A C    1 
ATOM   338  O  O    . THR A 1 46  ? -5.23078  17.96156 -20.57958 1.000 46.62458 ? 46  THR A O    1 
ATOM   339  C  CB   . THR A 1 46  ? -8.20390  19.26792 -21.18511 1.000 49.36592 ? 46  THR A CB   1 
ATOM   340  O  OG1  . THR A 1 46  ? -8.51217  17.88186 -21.02488 1.000 49.85863 ? 46  THR A OG1  1 
ATOM   341  C  CG2  . THR A 1 46  ? -9.19917  19.90419 -22.13361 1.000 47.40038 ? 46  THR A CG2  1 
ATOM   342  N  N    . ILE A 1 47  ? -5.62443  20.01194 -19.71679 1.000 43.02588 ? 47  ILE A N    1 
ATOM   343  C  CA   . ILE A 1 47  ? -4.73905  19.82871 -18.57249 1.000 43.19498 ? 47  ILE A CA   1 
ATOM   344  C  C    . ILE A 1 47  ? -5.28072  20.63925 -17.40346 1.000 43.04283 ? 47  ILE A C    1 
ATOM   345  O  O    . ILE A 1 47  ? -5.94388  21.66813 -17.58749 1.000 44.12536 ? 47  ILE A O    1 
ATOM   346  C  CB   . ILE A 1 47  ? -3.29666  20.23580 -18.94319 1.000 42.39129 ? 47  ILE A CB   1 
ATOM   347  C  CG1  . ILE A 1 47  ? -2.29844  19.69749 -17.93942 1.000 40.62027 ? 47  ILE A CG1  1 
ATOM   348  C  CG2  . ILE A 1 47  ? -3.17793  21.73354 -19.11520 1.000 40.31097 ? 47  ILE A CG2  1 
ATOM   349  C  CD1  . ILE A 1 47  ? -0.85922  19.78386 -18.42222 1.000 41.51066 ? 47  ILE A CD1  1 
ATOM   350  N  N    . TYR A 1 48  ? -5.00943  20.17029 -16.18446 1.000 43.44328 ? 48  TYR A N    1 
ATOM   351  C  CA   . TYR A 1 48  ? -5.39360  20.92306 -14.99844 1.000 43.02166 ? 48  TYR A CA   1 
ATOM   352  C  C    . TYR A 1 48  ? -4.24833  21.83439 -14.59110 1.000 41.86641 ? 48  TYR A C    1 
ATOM   353  O  O    . TYR A 1 48  ? -3.11717  21.37620 -14.40614 1.000 42.80277 ? 48  TYR A O    1 
ATOM   354  C  CB   . TYR A 1 48  ? -5.75946  19.99210 -13.84911 1.000 44.73282 ? 48  TYR A CB   1 
ATOM   355  C  CG   . TYR A 1 48  ? -7.11527  19.38655 -14.04497 1.000 48.48201 ? 48  TYR A CG   1 
ATOM   356  C  CD1  . TYR A 1 48  ? -8.25757  20.05988 -13.62946 1.000 51.31265 ? 48  TYR A CD1  1 
ATOM   357  C  CD2  . TYR A 1 48  ? -7.26265  18.14602 -14.67084 1.000 49.27931 ? 48  TYR A CD2  1 
ATOM   358  C  CE1  . TYR A 1 48  ? -9.51783  19.50497 -13.82106 1.000 55.69591 ? 48  TYR A CE1  1 
ATOM   359  C  CE2  . TYR A 1 48  ? -8.51540  17.57898 -14.86534 1.000 51.40497 ? 48  TYR A CE2  1 
ATOM   360  C  CZ   . TYR A 1 48  ? -9.63709  18.26434 -14.43132 1.000 56.14793 ? 48  TYR A CZ   1 
ATOM   361  O  OH   . TYR A 1 48  ? -10.88751 17.71811 -14.60080 1.000 61.87096 ? 48  TYR A OH   1 
ATOM   362  N  N    . ILE A 1 49  ? -4.53485  23.11909 -14.47285 1.000 39.43632 ? 49  ILE A N    1 
ATOM   363  C  CA   . ILE A 1 49  ? -3.56144  24.10177 -14.02785 1.000 37.29141 ? 49  ILE A CA   1 
ATOM   364  C  C    . ILE A 1 49  ? -4.07458  24.67012 -12.69900 1.000 39.63354 ? 49  ILE A C    1 
ATOM   365  O  O    . ILE A 1 49  ? -5.05911  25.42932 -12.67323 1.000 41.01243 ? 49  ILE A O    1 
ATOM   366  C  CB   . ILE A 1 49  ? -3.37167  25.21946 -15.05147 1.000 37.65960 ? 49  ILE A CB   1 
ATOM   367  C  CG1  . ILE A 1 49  ? -3.10560  24.65514 -16.47751 1.000 34.76622 ? 49  ILE A CG1  1 
ATOM   368  C  CG2  . ILE A 1 49  ? -2.34151  26.26359 -14.54408 1.000 34.63888 ? 49  ILE A CG2  1 
ATOM   369  C  CD1  . ILE A 1 49  ? -1.72201  23.91268 -16.63487 1.000 33.72237 ? 49  ILE A CD1  1 
ATOM   370  N  N    . ASN A 1 50  ? -3.40963  24.33387 -11.59847 1.000 42.35308 ? 50  ASN A N    1 
ATOM   371  C  CA   . ASN A 1 50  ? -3.85169  24.85032 -10.29976 1.000 36.30481 ? 50  ASN A CA   1 
ATOM   372  C  C    . ASN A 1 50  ? -5.27990  24.38014 -10.06985 1.000 39.09975 ? 50  ASN A C    1 
ATOM   373  O  O    . ASN A 1 50  ? -6.15192  25.14973 -9.67715  1.000 43.55304 ? 50  ASN A O    1 
ATOM   374  C  CB   . ASN A 1 50  ? -3.74766  26.37508 -10.30542 1.000 34.50364 ? 50  ASN A CB   1 
ATOM   375  C  CG   . ASN A 1 50  ? -2.31351  26.85008 -10.07006 1.000 37.81036 ? 50  ASN A CG   1 
ATOM   376  O  OD1  . ASN A 1 50  ? -1.41327  26.02620 -10.04605 1.000 37.64065 ? 50  ASN A OD1  1 
ATOM   377  N  ND2  . ASN A 1 50  ? -2.07429  28.15959 -10.19759 1.000 38.62094 ? 50  ASN A ND2  1 
ATOM   378  N  N    . ASP A 1 51  ? -5.52528  23.11850 -10.42507 1.000 42.58378 ? 51  ASP A N    1 
ATOM   379  C  CA   . ASP A 1 51  ? -6.80380  22.42918 -10.29259 1.000 45.45618 ? 51  ASP A CA   1 
ATOM   380  C  C    . ASP A 1 51  ? -7.89193  22.99210 -11.18170 1.000 48.01975 ? 51  ASP A C    1 
ATOM   381  O  O    . ASP A 1 51  ? -9.07484  22.68351 -10.98671 1.000 50.23993 ? 51  ASP A O    1 
ATOM   382  C  CB   . ASP A 1 51  ? -7.25255  22.40935 -8.82530  1.000 46.20100 ? 51  ASP A CB   1 
ATOM   383  C  CG   . ASP A 1 51  ? -6.27091  21.67470 -7.96725  1.000 51.33622 ? 51  ASP A CG   1 
ATOM   384  O  OD1  . ASP A 1 51  ? -5.99374  20.49589 -8.32618  1.000 50.95249 ? 51  ASP A OD1  1 
ATOM   385  O  OD2  . ASP A 1 51  ? -5.78309  22.25208 -6.95253  1.000 56.52390 ? 51  ASP A OD2  1 
ATOM   386  N  N    . VAL A 1 52  ? -7.52344  23.76314 -12.20231 1.000 46.77302 ? 52  VAL A N    1 
ATOM   387  C  CA   . VAL A 1 52  ? -8.47646  24.33830 -13.13286 1.000 44.88003 ? 52  VAL A CA   1 
ATOM   388  C  C    . VAL A 1 52  ? -8.25734  23.68616 -14.48843 1.000 48.18786 ? 52  VAL A C    1 
ATOM   389  O  O    . VAL A 1 52  ? -7.12782  23.68650 -15.00289 1.000 44.15352 ? 52  VAL A O    1 
ATOM   390  C  CB   . VAL A 1 52  ? -8.31930  25.85969 -13.22934 1.000 46.50236 ? 52  VAL A CB   1 
ATOM   391  C  CG1  . VAL A 1 52  ? -9.34370  26.39926 -14.22728 1.000 46.81230 ? 52  VAL A CG1  1 
ATOM   392  C  CG2  . VAL A 1 52  ? -8.47201  26.47648 -11.85539 1.000 44.21895 ? 52  VAL A CG2  1 
ATOM   393  N  N    . GLU A 1 53  ? -9.32035  23.10090 -15.04596 1.000 46.46426 ? 53  GLU A N    1 
ATOM   394  C  CA   . GLU A 1 53  ? -9.19668  22.41675 -16.32339 1.000 51.15087 ? 53  GLU A CA   1 
ATOM   395  C  C    . GLU A 1 53  ? -8.96820  23.44268 -17.41353 1.000 49.23500 ? 53  GLU A C    1 
ATOM   396  O  O    . GLU A 1 53  ? -9.66623  24.45719 -17.48016 1.000 49.76360 ? 53  GLU A O    1 
ATOM   397  C  CB   . GLU A 1 53  ? -10.43767 21.59316 -16.62882 1.000 53.78093 ? 53  GLU A CB   1 
ATOM   398  C  CG   . GLU A 1 53  ? -10.15485 20.44805 -17.55300 1.000 57.64553 ? 53  GLU A CG   1 
ATOM   399  C  CD   . GLU A 1 53  ? -11.42474 19.76261 -18.01451 1.000 68.28837 ? 53  GLU A CD   1 
ATOM   400  O  OE1  . GLU A 1 53  ? -12.49327 20.42309 -18.01281 1.000 73.08660 ? 53  GLU A OE1  1 
ATOM   401  O  OE2  . GLU A 1 53  ? -11.34979 18.56834 -18.38660 1.000 72.07068 ? 53  GLU A OE2  1 
ATOM   402  N  N    . THR A 1 54  ? -7.98753  23.18701 -18.26209 1.000 46.88215 ? 54  THR A N    1 
ATOM   403  C  CA   . THR A 1 54  ? -7.53056  24.20054 -19.19742 1.000 44.27133 ? 54  THR A CA   1 
ATOM   404  C  C    . THR A 1 54  ? -7.27649  23.54579 -20.54090 1.000 41.09679 ? 54  THR A C    1 
ATOM   405  O  O    . THR A 1 54  ? -6.69544  22.45572 -20.60297 1.000 41.00255 ? 54  THR A O    1 
ATOM   406  C  CB   . THR A 1 54  ? -6.25822  24.87676 -18.65905 1.000 43.05082 ? 54  THR A CB   1 
ATOM   407  O  OG1  . THR A 1 54  ? -6.48608  25.32259 -17.30173 1.000 45.67634 ? 54  THR A OG1  1 
ATOM   408  C  CG2  . THR A 1 54  ? -5.81724  26.03340 -19.52623 1.000 39.72622 ? 54  THR A CG2  1 
ATOM   409  N  N    . LYS A 1 55  ? -7.71869  24.20791 -21.60645 1.000 42.22613 ? 55  LYS A N    1 
ATOM   410  C  CA   . LYS A 1 55  ? -7.44260  23.71760 -22.96737 1.000 39.95465 ? 55  LYS A CA   1 
ATOM   411  C  C    . LYS A 1 55  ? -5.95353  23.83626 -23.30489 1.000 37.92155 ? 55  LYS A C    1 
ATOM   412  O  O    . LYS A 1 55  ? -5.33603  24.90977 -23.13363 1.000 39.54862 ? 55  LYS A O    1 
ATOM   413  C  CB   . LYS A 1 55  ? -8.22639  24.51853 -23.99598 1.000 42.74528 ? 55  LYS A CB   1 
ATOM   414  C  CG   . LYS A 1 55  ? -9.58738  24.01883 -24.37462 1.000 47.88385 ? 55  LYS A CG   1 
ATOM   415  C  CD   . LYS A 1 55  ? -10.08629 24.78165 -25.66055 1.000 45.15494 ? 55  LYS A CD   1 
ATOM   416  C  CE   . LYS A 1 55  ? -11.61045 24.72760 -25.73109 1.000 45.94158 ? 55  LYS A CE   1 
ATOM   417  N  NZ   . LYS A 1 55  ? -12.10017 23.32370 -25.56158 1.000 42.50680 ? 55  LYS A NZ   1 
ATOM   418  N  N    . VAL A 1 56  ? -5.37866  22.74372 -23.80384 1.000 35.77320 ? 56  VAL A N    1 
ATOM   419  C  CA   . VAL A 1 56  ? -4.01858  22.75479 -24.33360 1.000 35.56100 ? 56  VAL A CA   1 
ATOM   420  C  C    . VAL A 1 56  ? -4.11795  23.09070 -25.82230 1.000 40.20483 ? 56  VAL A C    1 
ATOM   421  O  O    . VAL A 1 56  ? -4.48769  22.25376 -26.63563 1.000 42.03020 ? 56  VAL A O    1 
ATOM   422  C  CB   . VAL A 1 56  ? -3.30549  21.42765 -24.08878 1.000 35.00519 ? 56  VAL A CB   1 
ATOM   423  C  CG1  . VAL A 1 56  ? -1.90247  21.50009 -24.64203 1.000 38.05681 ? 56  VAL A CG1  1 
ATOM   424  C  CG2  . VAL A 1 56  ? -3.26687  21.11569 -22.52586 1.000 38.52266 ? 56  VAL A CG2  1 
ATOM   425  N  N    . LEU A 1 57  ? -3.78596  24.33060 -26.17632 1.000 39.61007 ? 57  LEU A N    1 
ATOM   426  C  CA   . LEU A 1 57  ? -3.97254  24.77344 -27.55090 1.000 39.81985 ? 57  LEU A CA   1 
ATOM   427  C  C    . LEU A 1 57  ? -2.87751  24.26269 -28.46719 1.000 43.02530 ? 57  LEU A C    1 
ATOM   428  O  O    . LEU A 1 57  ? -3.11205  24.09287 -29.67043 1.000 45.53900 ? 57  LEU A O    1 
ATOM   429  C  CB   . LEU A 1 57  ? -4.02160  26.29857 -27.61931 1.000 40.94896 ? 57  LEU A CB   1 
ATOM   430  C  CG   . LEU A 1 57  ? -5.17595  26.91485 -26.83793 1.000 37.26160 ? 57  LEU A CG   1 
ATOM   431  C  CD1  . LEU A 1 57  ? -5.10589  28.42575 -26.87943 1.000 35.68029 ? 57  LEU A CD1  1 
ATOM   432  C  CD2  . LEU A 1 57  ? -6.49657  26.37790 -27.38613 1.000 33.81558 ? 57  LEU A CD2  1 
ATOM   433  N  N    . ASP A 1 58  ? -1.67359  24.05262 -27.94077 1.000 45.37220 ? 58  ASP A N    1 
ATOM   434  C  CA   . ASP A 1 58  ? -0.61330  23.43151 -28.72575 1.000 44.20277 ? 58  ASP A CA   1 
ATOM   435  C  C    . ASP A 1 58  ? 0.30573   22.67673 -27.78089 1.000 45.17611 ? 58  ASP A C    1 
ATOM   436  O  O    . ASP A 1 58  ? 0.40553   23.01214 -26.59871 1.000 45.33411 ? 58  ASP A O    1 
ATOM   437  C  CB   . ASP A 1 58  ? 0.17730   24.47098 -29.53337 1.000 46.25044 ? 58  ASP A CB   1 
ATOM   438  C  CG   . ASP A 1 58  ? 0.76617   23.88100 -30.81850 1.000 51.49358 ? 58  ASP A CG   1 
ATOM   439  O  OD1  . ASP A 1 58  ? 0.60051   22.65568 -31.01956 1.000 47.94493 ? 58  ASP A OD1  1 
ATOM   440  O  OD2  . ASP A 1 58  ? 1.39054   24.63192 -31.60553 1.000 47.88907 ? 58  ASP A OD2  1 
ATOM   441  N  N    . ALA A 1 59  ? 0.95463   21.64048 -28.29382 1.000 44.50522 ? 59  ALA A N    1 
ATOM   442  C  CA   . ALA A 1 59  ? 1.91885   20.87164 -27.50624 1.000 45.12652 ? 59  ALA A CA   1 
ATOM   443  C  C    . ALA A 1 59  ? 2.98508   20.35510 -28.45912 1.000 49.60210 ? 59  ALA A C    1 
ATOM   444  O  O    . ALA A 1 59  ? 2.66440   19.67529 -29.44548 1.000 52.46955 ? 59  ALA A O    1 
ATOM   445  C  CB   . ALA A 1 59  ? 1.24881   19.71536 -26.76389 1.000 45.46798 ? 59  ALA A CB   1 
ATOM   446  N  N    . CYS A 1 60  ? 4.24483   20.70988 -28.21733 1.000 42.50762 ? 60  CYS A N    1 
ATOM   447  C  CA   A CYS A 1 60  ? 5.34216   20.27502 -29.06900 0.588 47.23439 ? 60  CYS A CA   1 
ATOM   448  C  CA   B CYS A 1 60  ? 5.34934   20.26715 -29.06602 0.412 46.86528 ? 60  CYS A CA   1 
ATOM   449  C  C    . CYS A 1 60  ? 6.33023   19.49612 -28.20149 1.000 45.79760 ? 60  CYS A C    1 
ATOM   450  O  O    . CYS A 1 60  ? 6.94919   20.06654 -27.30111 1.000 43.80712 ? 60  CYS A O    1 
ATOM   451  C  CB   A CYS A 1 60  ? 5.99308   21.48571 -29.75141 0.588 49.08597 ? 60  CYS A CB   1 
ATOM   452  C  CB   B CYS A 1 60  ? 6.04498   21.44137 -29.76766 0.412 48.74921 ? 60  CYS A CB   1 
ATOM   453  S  SG   A CYS A 1 60  ? 4.85671   22.58122 -30.73568 0.588 57.21338 ? 60  CYS A SG   1 
ATOM   454  S  SG   B CYS A 1 60  ? 7.34625   20.96943 -30.99106 0.412 50.47619 ? 60  CYS A SG   1 
ATOM   455  N  N    . ALA A 1 61  ? 6.46133   18.19732 -28.46487 1.000 40.00871 ? 61  ALA A N    1 
ATOM   456  C  CA   . ALA A 1 61  ? 7.41686   17.34096 -27.77517 1.000 42.82980 ? 61  ALA A CA   1 
ATOM   457  C  C    . ALA A 1 61  ? 8.76502   17.46240 -28.46913 1.000 46.28267 ? 61  ALA A C    1 
ATOM   458  O  O    . ALA A 1 61  ? 8.93384   16.96006 -29.58497 1.000 43.60147 ? 61  ALA A O    1 
ATOM   459  C  CB   . ALA A 1 61  ? 6.92600   15.89677 -27.78788 1.000 41.76922 ? 61  ALA A CB   1 
ATOM   460  N  N    . LEU A 1 62  ? 9.73618   18.10984 -27.81593 1.000 41.25764 ? 62  LEU A N    1 
ATOM   461  C  CA   . LEU A 1 62  ? 10.96519  18.46398 -28.52136 1.000 42.82907 ? 62  LEU A CA   1 
ATOM   462  C  C    . LEU A 1 62  ? 11.82072  17.22720 -28.76272 1.000 45.17491 ? 62  LEU A C    1 
ATOM   463  O  O    . LEU A 1 62  ? 11.97627  16.39091 -27.87007 1.000 40.43581 ? 62  LEU A O    1 
ATOM   464  C  CB   . LEU A 1 62  ? 11.76059  19.51001 -27.74449 1.000 40.76855 ? 62  LEU A CB   1 
ATOM   465  C  CG   . LEU A 1 62  ? 10.96196  20.80777 -27.51874 1.000 43.26342 ? 62  LEU A CG   1 
ATOM   466  C  CD1  . LEU A 1 62  ? 11.81884  21.97042 -26.99065 1.000 43.82077 ? 62  LEU A CD1  1 
ATOM   467  C  CD2  . LEU A 1 62  ? 10.22306  21.23040 -28.78057 1.000 41.44044 ? 62  LEU A CD2  1 
ATOM   468  N  N    . ARG A 1 63  ? 12.34614  17.10008 -29.99140 1.000 40.07793 ? 63  ARG A N    1 
ATOM   469  C  CA   . ARG A 1 63  ? 13.37206  16.12310 -30.34390 1.000 42.20474 ? 63  ARG A CA   1 
ATOM   470  C  C    . ARG A 1 63  ? 14.46862  16.81976 -31.15491 1.000 42.34841 ? 63  ARG A C    1 
ATOM   471  O  O    . ARG A 1 63  ? 14.24217  17.87658 -31.76412 1.000 40.99251 ? 63  ARG A O    1 
ATOM   472  C  CB   . ARG A 1 63  ? 12.76822  14.95823 -31.15168 1.000 45.57872 ? 63  ARG A CB   1 
ATOM   473  C  CG   . ARG A 1 63  ? 11.62046  14.26549 -30.44685 1.000 41.15603 ? 63  ARG A CG   1 
ATOM   474  C  CD   . ARG A 1 63  ? 10.91429  13.22918 -31.34475 1.000 42.65951 ? 63  ARG A CD   1 
ATOM   475  N  NE   . ARG A 1 63  ? 11.70012  12.00511 -31.49374 1.000 38.47829 ? 63  ARG A NE   1 
ATOM   476  C  CZ   . ARG A 1 63  ? 11.76324  11.00691 -30.62198 1.000 46.37539 ? 63  ARG A CZ   1 
ATOM   477  N  NH1  . ARG A 1 63  ? 11.15387  11.06307 -29.44354 1.000 49.33554 ? 63  ARG A NH1  1 
ATOM   478  N  NH2  . ARG A 1 63  ? 12.50998  9.94225  -30.91019 1.000 44.45901 ? 63  ARG A NH2  1 
ATOM   479  N  N    . ASP A 1 64  ? 15.67305  16.22544 -31.16767 1.000 38.75926 ? 64  ASP A N    1 
ATOM   480  C  CA   . ASP A 1 64  ? 16.79211  16.86139 -31.83809 1.000 39.35696 ? 64  ASP A CA   1 
ATOM   481  C  C    . ASP A 1 64  ? 16.87720  16.32883 -33.27015 1.000 42.98891 ? 64  ASP A C    1 
ATOM   482  O  O    . ASP A 1 64  ? 16.01784  15.55697 -33.72190 1.000 39.61127 ? 64  ASP A O    1 
ATOM   483  C  CB   . ASP A 1 64  ? 18.08938  16.65070 -31.06662 1.000 39.66209 ? 64  ASP A CB   1 
ATOM   484  C  CG   . ASP A 1 64  ? 18.53042  15.18434 -30.99797 1.000 44.07254 ? 64  ASP A CG   1 
ATOM   485  O  OD1  . ASP A 1 64  ? 18.00320  14.33933 -31.76257 1.000 43.91084 ? 64  ASP A OD1  1 
ATOM   486  O  OD2  . ASP A 1 64  ? 19.39522  14.87188 -30.11476 1.000 47.66255 ? 64  ASP A OD2  1 
ATOM   487  N  N    . LEU A 1 65  ? 17.93394  16.71437 -33.98929 1.000 39.51554 ? 65  LEU A N    1 
ATOM   488  C  CA   . LEU A 1 65  ? 17.97638  16.33068 -35.40215 1.000 44.09035 ? 65  LEU A CA   1 
ATOM   489  C  C    . LEU A 1 65  ? 18.37835  14.87742 -35.57620 1.000 44.05518 ? 65  LEU A C    1 
ATOM   490  O  O    . LEU A 1 65  ? 18.32727  14.36841 -36.69561 1.000 42.89782 ? 65  LEU A O    1 
ATOM   491  C  CB   . LEU A 1 65  ? 18.92626  17.23760 -36.18797 1.000 41.11952 ? 65  LEU A CB   1 
ATOM   492  C  CG   . LEU A 1 65  ? 18.19494  18.32651 -36.95874 1.000 45.34879 ? 65  LEU A CG   1 
ATOM   493  C  CD1  . LEU A 1 65  ? 17.32611  17.73886 -38.07867 1.000 45.42060 ? 65  LEU A CD1  1 
ATOM   494  C  CD2  . LEU A 1 65  ? 17.32704  19.05416 -35.95822 1.000 44.07725 ? 65  LEU A CD2  1 
ATOM   495  N  N    . THR A 1 66  ? 18.77709  14.19500 -34.50993 1.000 37.07936 ? 66  THR A N    1 
ATOM   496  C  CA   . THR A 1 66  ? 18.95125  12.75480 -34.59604 1.000 34.05141 ? 66  THR A CA   1 
ATOM   497  C  C    . THR A 1 66  ? 17.65056  12.02918 -34.36217 1.000 36.24641 ? 66  THR A C    1 
ATOM   498  O  O    . THR A 1 66  ? 17.65755  10.80049 -34.20511 1.000 43.62193 ? 66  THR A O    1 
ATOM   499  C  CB   . THR A 1 66  ? 20.01807  12.27023 -33.62220 1.000 43.85424 ? 66  THR A CB   1 
ATOM   500  O  OG1  . THR A 1 66  ? 19.45477  12.19436 -32.28653 1.000 43.27308 ? 66  THR A OG1  1 
ATOM   501  C  CG2  . THR A 1 66  ? 21.22236  13.21211 -33.63453 1.000 46.40736 ? 66  THR A CG2  1 
ATOM   502  N  N    . ASP A 1 67  ? 16.53988  12.76583 -34.30953 1.000 34.75888 ? 67  ASP A N    1 
ATOM   503  C  CA   . ASP A 1 67  ? 15.24020  12.20971 -33.92429 1.000 42.42709 ? 67  ASP A CA   1 
ATOM   504  C  C    . ASP A 1 67  ? 15.29652  11.50311 -32.57265 1.000 45.48685 ? 67  ASP A C    1 
ATOM   505  O  O    . ASP A 1 67  ? 14.78880  10.38418 -32.39284 1.000 44.71276 ? 67  ASP A O    1 
ATOM   506  C  CB   . ASP A 1 67  ? 14.68644  11.27715 -34.99919 1.000 43.90666 ? 67  ASP A CB   1 
ATOM   507  C  CG   . ASP A 1 67  ? 13.21788  10.99998 -34.79395 1.000 51.39944 ? 67  ASP A CG   1 
ATOM   508  O  OD1  . ASP A 1 67  ? 12.52465  11.86911 -34.19317 1.000 48.49127 ? 67  ASP A OD1  1 
ATOM   509  O  OD2  . ASP A 1 67  ? 12.75539  9.92594  -35.24335 1.000 53.84090 ? 67  ASP A OD2  1 
ATOM   510  N  N    . THR A 1 68  ? 15.94224  12.16315 -31.61507 1.000 41.71070 ? 68  THR A N    1 
ATOM   511  C  CA   . THR A 1 68  ? 16.02196  11.65410 -30.24757 1.000 45.36551 ? 68  THR A CA   1 
ATOM   512  C  C    . THR A 1 68  ? 15.25653  12.54941 -29.27900 1.000 39.70884 ? 68  THR A C    1 
ATOM   513  O  O    . THR A 1 68  ? 15.30896  13.78297 -29.37317 1.000 40.27379 ? 68  THR A O    1 
ATOM   514  C  CB   . THR A 1 68  ? 17.48030  11.51109 -29.78730 1.000 45.20151 ? 68  THR A CB   1 
ATOM   515  O  OG1  . THR A 1 68  ? 18.13892  10.55253 -30.64323 1.000 47.68135 ? 68  THR A OG1  1 
ATOM   516  C  CG2  . THR A 1 68  ? 17.54569  11.06621 -28.31139 1.000 41.97277 ? 68  THR A CG2  1 
ATOM   517  N  N    . ASN A 1 69  ? 14.55135  11.91677 -28.34836 1.000 42.43133 ? 69  ASN A N    1 
ATOM   518  C  CA   . ASN A 1 69  ? 13.81780  12.63532 -27.29801 1.000 43.14088 ? 69  ASN A CA   1 
ATOM   519  C  C    . ASN A 1 69  ? 14.69424  13.66060 -26.56529 1.000 38.18310 ? 69  ASN A C    1 
ATOM   520  O  O    . ASN A 1 69  ? 15.82998  13.37220 -26.17340 1.000 40.34678 ? 69  ASN A O    1 
ATOM   521  C  CB   . ASN A 1 69  ? 13.25906  11.62179 -26.30031 1.000 39.09522 ? 69  ASN A CB   1 
ATOM   522  C  CG   . ASN A 1 69  ? 12.56209  12.28205 -25.13950 1.000 41.81076 ? 69  ASN A CG   1 
ATOM   523  O  OD1  . ASN A 1 69  ? 11.71998  13.19083 -25.32540 1.000 40.22807 ? 69  ASN A OD1  1 
ATOM   524  N  ND2  . ASN A 1 69  ? 12.87132  11.82100 -23.94299 1.000 41.83069 ? 69  ASN A ND2  1 
ATOM   525  N  N    . LEU A 1 70  ? 14.16367  14.87881 -26.38598 1.000 38.89423 ? 70  LEU A N    1 
ATOM   526  C  CA   . LEU A 1 70  ? 14.78049  15.84171 -25.48665 1.000 38.09895 ? 70  LEU A CA   1 
ATOM   527  C  C    . LEU A 1 70  ? 14.05747  15.94433 -24.12966 1.000 40.38350 ? 70  LEU A C    1 
ATOM   528  O  O    . LEU A 1 70  ? 14.55300  16.64319 -23.25244 1.000 40.84976 ? 70  LEU A O    1 
ATOM   529  C  CB   . LEU A 1 70  ? 14.84400  17.22146 -26.13956 1.000 37.40458 ? 70  LEU A CB   1 
ATOM   530  C  CG   . LEU A 1 70  ? 15.76098  17.21340 -27.38882 1.000 42.22043 ? 70  LEU A CG   1 
ATOM   531  C  CD1  . LEU A 1 70  ? 15.56706  18.46627 -28.22212 1.000 36.60209 ? 70  LEU A CD1  1 
ATOM   532  C  CD2  . LEU A 1 70  ? 17.23960  17.06080 -26.98267 1.000 38.66343 ? 70  LEU A CD2  1 
ATOM   533  N  N    . GLU A 1 71  ? 12.91050  15.27204 -23.94774 1.000 42.21718 ? 71  GLU A N    1 
ATOM   534  C  CA   . GLU A 1 71  ? 12.13321  15.19994 -22.70463 1.000 37.63917 ? 71  GLU A CA   1 
ATOM   535  C  C    . GLU A 1 71  ? 11.44630  16.50665 -22.32331 1.000 41.47617 ? 71  GLU A C    1 
ATOM   536  O  O    . GLU A 1 71  ? 10.89482  16.60226 -21.20521 1.000 41.02955 ? 71  GLU A O    1 
ATOM   537  C  CB   . GLU A 1 71  ? 13.00623  14.71860 -21.54649 1.000 39.84074 ? 71  GLU A CB   1 
ATOM   538  C  CG   . GLU A 1 71  ? 12.28222  14.05430 -20.32380 1.000 39.21412 ? 71  GLU A CG   1 
ATOM   539  C  CD   . GLU A 1 71  ? 11.07245  13.17411 -20.68485 1.000 48.26574 ? 71  GLU A CD   1 
ATOM   540  O  OE1  . GLU A 1 71  ? 11.01027  12.59068 -21.81462 1.000 45.64058 ? 71  GLU A OE1  1 
ATOM   541  O  OE2  . GLU A 1 71  ? 10.19275  13.05326 -19.80054 1.000 44.48773 ? 71  GLU A OE2  1 
ATOM   542  N  N    . ILE A 1 72  ? 11.51067  17.52915 -23.17283 1.000 36.61299 ? 72  ILE A N    1 
ATOM   543  C  CA   . ILE A 1 72  ? 10.80604  18.79333 -22.97061 1.000 37.31858 ? 72  ILE A CA   1 
ATOM   544  C  C    . ILE A 1 72  ? 9.59584   18.82040 -23.88664 1.000 42.74788 ? 72  ILE A C    1 
ATOM   545  O  O    . ILE A 1 72  ? 9.74395   18.69888 -25.11208 1.000 39.46690 ? 72  ILE A O    1 
ATOM   546  C  CB   . ILE A 1 72  ? 11.70225  20.01188 -23.28644 1.000 42.10203 ? 72  ILE A CB   1 
ATOM   547  C  CG1  . ILE A 1 72  ? 12.93196  20.10015 -22.37590 1.000 41.34903 ? 72  ILE A CG1  1 
ATOM   548  C  CG2  . ILE A 1 72  ? 10.88870  21.30949 -23.13893 1.000 40.07607 ? 72  ILE A CG2  1 
ATOM   549  C  CD1  . ILE A 1 72  ? 12.67328  20.98084 -21.19026 1.000 45.41815 ? 72  ILE A CD1  1 
ATOM   550  N  N    . THR A 1 73  ? 8.41744   19.07466 -23.33118 1.000 39.53316 ? 73  THR A N    1 
ATOM   551  C  CA   . THR A 1 73  ? 7.24215   19.38108 -24.14535 1.000 36.15111 ? 73  THR A CA   1 
ATOM   552  C  C    . THR A 1 73  ? 6.82770   20.82727 -23.88747 1.000 37.96759 ? 73  THR A C    1 
ATOM   553  O  O    . THR A 1 73  ? 6.70992   21.25717 -22.73213 1.000 38.90904 ? 73  THR A O    1 
ATOM   554  C  CB   . THR A 1 73  ? 6.08910   18.42854 -23.83329 1.000 39.57334 ? 73  THR A CB   1 
ATOM   555  O  OG1  . THR A 1 73  ? 6.37511   17.13439 -24.37106 1.000 39.21232 ? 73  THR A OG1  1 
ATOM   556  C  CG2  . THR A 1 73  ? 4.80946   18.92868 -24.43472 1.000 35.90722 ? 73  THR A CG2  1 
ATOM   557  N  N    . ILE A 1 74  ? 6.64215   21.59036 -24.94612 1.000 37.03622 ? 74  ILE A N    1 
ATOM   558  C  CA   . ILE A 1 74  ? 6.21201   22.98105 -24.84413 1.000 35.94586 ? 74  ILE A CA   1 
ATOM   559  C  C    . ILE A 1 74  ? 4.70790   23.02513 -25.04996 1.000 40.62208 ? 74  ILE A C    1 
ATOM   560  O  O    . ILE A 1 74  ? 4.18712   22.42358 -25.99148 1.000 40.53873 ? 74  ILE A O    1 
ATOM   561  C  CB   . ILE A 1 74  ? 6.94776   23.86726 -25.86364 1.000 41.26069 ? 74  ILE A CB   1 
ATOM   562  C  CG1  . ILE A 1 74  ? 8.44939   23.69628 -25.68442 1.000 37.87514 ? 74  ILE A CG1  1 
ATOM   563  C  CG2  . ILE A 1 74  ? 6.55706   25.33681 -25.72577 1.000 38.94305 ? 74  ILE A CG2  1 
ATOM   564  C  CD1  . ILE A 1 74  ? 9.25994   24.61797 -26.58802 1.000 37.65015 ? 74  ILE A CD1  1 
ATOM   565  N  N    . VAL A 1 75  ? 3.99193   23.70097 -24.15314 1.000 38.63583 ? 75  VAL A N    1 
ATOM   566  C  CA   . VAL A 1 75  ? 2.54961   23.80428 -24.31452 1.000 37.98413 ? 75  VAL A CA   1 
ATOM   567  C  C    . VAL A 1 75  ? 2.14633   25.27011 -24.38648 1.000 40.94404 ? 75  VAL A C    1 
ATOM   568  O  O    . VAL A 1 75  ? 2.85347   26.16272 -23.90609 1.000 41.23999 ? 75  VAL A O    1 
ATOM   569  C  CB   . VAL A 1 75  ? 1.78308   23.08824 -23.19438 1.000 39.60063 ? 75  VAL A CB   1 
ATOM   570  C  CG1  . VAL A 1 75  ? 2.21933   21.62579 -23.12671 1.000 40.22311 ? 75  VAL A CG1  1 
ATOM   571  C  CG2  . VAL A 1 75  ? 2.03789   23.79269 -21.87773 1.000 42.14794 ? 75  VAL A CG2  1 
ATOM   572  N  N    . LYS A 1 76  ? 0.99775   25.50292 -25.03166 1.000 39.85061 ? 76  LYS A N    1 
ATOM   573  C  CA   . LYS A 1 76  ? 0.34466   26.80249 -25.14762 1.000 37.83405 ? 76  LYS A CA   1 
ATOM   574  C  C    . LYS A 1 76  ? -1.03210  26.59888 -24.54839 1.000 40.10890 ? 76  LYS A C    1 
ATOM   575  O  O    . LYS A 1 76  ? -1.76520  25.70021 -24.97907 1.000 39.70151 ? 76  LYS A O    1 
ATOM   576  C  CB   . LYS A 1 76  ? 0.24748   27.23747 -26.62886 1.000 42.55129 ? 76  LYS A CB   1 
ATOM   577  C  CG   . LYS A 1 76  ? -0.48668  28.57873 -26.87706 1.000 42.43212 ? 76  LYS A CG   1 
ATOM   578  C  CD   . LYS A 1 76  ? -0.64043  28.87394 -28.41448 1.000 42.50170 ? 76  LYS A CD   1 
ATOM   579  C  CE   . LYS A 1 76  ? -0.99428  30.36477 -28.67351 1.000 44.26908 ? 76  LYS A CE   1 
ATOM   580  N  NZ   . LYS A 1 76  ? -0.79905  30.80727 -30.11348 1.000 50.48127 ? 76  LYS A NZ   1 
ATOM   581  N  N    . LEU A 1 77  ? -1.37229  27.38487 -23.52875 1.000 40.75999 ? 77  LEU A N    1 
ATOM   582  C  CA   . LEU A 1 77  ? -2.54701  27.10798 -22.72408 1.000 38.20588 ? 77  LEU A CA   1 
ATOM   583  C  C    . LEU A 1 77  ? -3.61983  28.15971 -22.96936 1.000 38.58296 ? 77  LEU A C    1 
ATOM   584  O  O    . LEU A 1 77  ? -3.30188  29.33813 -23.15755 1.000 38.07970 ? 77  LEU A O    1 
ATOM   585  C  CB   . LEU A 1 77  ? -2.17691  27.10321 -21.22062 1.000 36.19030 ? 77  LEU A CB   1 
ATOM   586  C  CG   . LEU A 1 77  ? -1.03762  26.17957 -20.77426 1.000 37.65915 ? 77  LEU A CG   1 
ATOM   587  C  CD1  . LEU A 1 77  ? -0.74137  26.34063 -19.26583 1.000 36.04234 ? 77  LEU A CD1  1 
ATOM   588  C  CD2  . LEU A 1 77  ? -1.44543  24.73871 -21.05291 1.000 41.00340 ? 77  LEU A CD2  1 
ATOM   589  N  N    . ASP A 1 78  ? -4.89930  27.75565 -22.87424 1.000 37.23879 ? 78  ASP A N    1 
ATOM   590  C  CA   . ASP A 1 78  ? -5.99157  28.73880 -22.91236 1.000 38.94594 ? 78  ASP A CA   1 
ATOM   591  C  C    . ASP A 1 78  ? -6.28293  29.29173 -21.50467 1.000 42.90895 ? 78  ASP A C    1 
ATOM   592  O  O    . ASP A 1 78  ? -7.24600  28.90110 -20.84103 1.000 42.82529 ? 78  ASP A O    1 
ATOM   593  C  CB   . ASP A 1 78  ? -7.24634  28.11516 -23.50967 1.000 39.77823 ? 78  ASP A CB   1 
ATOM   594  C  CG   . ASP A 1 78  ? -8.34962  29.14083 -23.72810 1.000 43.70239 ? 78  ASP A CG   1 
ATOM   595  O  OD1  . ASP A 1 78  ? -8.04692  30.36828 -23.72511 1.000 40.11990 ? 78  ASP A OD1  1 
ATOM   596  O  OD2  . ASP A 1 78  ? -9.52240  28.72097 -23.89656 1.000 47.72094 ? 78  ASP A OD2  1 
ATOM   597  N  N    . ARG A 1 79  ? -5.46495  30.25033 -21.05708 1.000 41.47137 ? 79  ARG A N    1 
ATOM   598  C  CA   . ARG A 1 79  ? -5.66642  30.91115 -19.77064 1.000 44.57172 ? 79  ARG A CA   1 
ATOM   599  C  C    . ARG A 1 79  ? -5.65518  32.40582 -19.96910 1.000 44.93667 ? 79  ARG A C    1 
ATOM   600  O  O    . ARG A 1 79  ? -5.10140  32.91526 -20.94276 1.000 46.50778 ? 79  ARG A O    1 
ATOM   601  C  CB   . ARG A 1 79  ? -4.57439  30.61687 -18.73517 1.000 44.98068 ? 79  ARG A CB   1 
ATOM   602  C  CG   . ARG A 1 79  ? -3.88809  29.33298 -18.88662 1.000 44.78191 ? 79  ARG A CG   1 
ATOM   603  C  CD   . ARG A 1 79  ? -2.76876  29.18797 -17.90628 1.000 47.06409 ? 79  ARG A CD   1 
ATOM   604  N  NE   . ARG A 1 79  ? -3.16447  29.35714 -16.50539 1.000 43.33279 ? 79  ARG A NE   1 
ATOM   605  C  CZ   . ARG A 1 79  ? -2.55779  30.14737 -15.62430 1.000 49.23539 ? 79  ARG A CZ   1 
ATOM   606  N  NH1  . ARG A 1 79  ? -1.57166  30.96436 -15.97656 1.000 45.87923 ? 79  ARG A NH1  1 
ATOM   607  N  NH2  . ARG A 1 79  ? -2.91218  30.07458 -14.34538 1.000 42.66178 ? 79  ARG A NH2  1 
ATOM   608  N  N    . ASN A 1 80  ? -6.18257  33.10742 -18.97111 1.000 47.89134 ? 80  ASN A N    1 
ATOM   609  C  CA   . ASN A 1 80  ? -6.30373  34.54609 -19.10429 1.000 46.77931 ? 80  ASN A CA   1 
ATOM   610  C  C    . ASN A 1 80  ? -5.02878  35.26520 -18.67176 1.000 49.49814 ? 80  ASN A C    1 
ATOM   611  O  O    . ASN A 1 80  ? -4.64921  36.27045 -19.27396 1.000 51.94486 ? 80  ASN A O    1 
ATOM   612  C  CB   . ASN A 1 80  ? -7.50428  35.03737 -18.29628 1.000 47.61284 ? 80  ASN A CB   1 
ATOM   613  C  CG   . ASN A 1 80  ? -7.58151  36.53107 -18.26465 1.000 49.54165 ? 80  ASN A CG   1 
ATOM   614  O  OD1  . ASN A 1 80  ? -7.37092  37.18226 -19.29247 1.000 51.72996 ? 80  ASN A OD1  1 
ATOM   615  N  ND2  . ASN A 1 80  ? -7.88701  37.09474 -17.10284 1.000 60.54107 ? 80  ASN A ND2  1 
ATOM   616  N  N    . GLN A 1 81  ? -4.33335  34.76560 -17.65282 1.000 52.08660 ? 81  GLN A N    1 
ATOM   617  C  CA   . GLN A 1 81  ? -3.07433  35.38012 -17.24747 1.000 53.38820 ? 81  GLN A CA   1 
ATOM   618  C  C    . GLN A 1 81  ? -1.92430  35.05506 -18.20333 1.000 52.09821 ? 81  GLN A C    1 
ATOM   619  O  O    . GLN A 1 81  ? -1.76977  33.91339 -18.65276 1.000 49.50867 ? 81  GLN A O    1 
ATOM   620  C  CB   . GLN A 1 81  ? -2.68960  34.96317 -15.81701 1.000 52.54419 ? 81  GLN A CB   1 
ATOM   621  C  CG   . GLN A 1 81  ? -3.83478  34.71336 -14.74214 1.000 63.22631 ? 81  GLN A CG   1 
ATOM   622  C  CD   . GLN A 1 81  ? -4.60718  33.35167 -14.80431 1.000 63.70877 ? 81  GLN A CD   1 
ATOM   623  O  OE1  . GLN A 1 81  ? -5.08966  32.89897 -15.87320 1.000 53.88546 ? 81  GLN A OE1  1 
ATOM   624  N  NE2  . GLN A 1 81  ? -4.77664  32.73077 -13.60178 1.000 58.82223 ? 81  GLN A NE2  1 
ATOM   625  N  N    . LYS A 1 82  ? -1.09382  36.06360 -18.48789 1.000 50.10829 ? 82  LYS A N    1 
ATOM   626  C  CA   . LYS A 1 82  ? 0.19500   35.82805 -19.13313 1.000 52.89212 ? 82  LYS A CA   1 
ATOM   627  C  C    . LYS A 1 82  ? 1.28493   35.60748 -18.09046 1.000 48.33078 ? 82  LYS A C    1 
ATOM   628  O  O    . LYS A 1 82  ? 1.29295   36.24383 -17.04048 1.000 51.80022 ? 82  LYS A O    1 
ATOM   629  C  CB   . LYS A 1 82  ? 0.59522   37.00412 -20.02607 1.000 52.35744 ? 82  LYS A CB   1 
ATOM   630  C  CG   . LYS A 1 82  ? -0.58189  37.74132 -20.60949 1.000 59.75906 ? 82  LYS A CG   1 
ATOM   631  C  CD   . LYS A 1 82  ? -0.18952  39.00212 -21.39246 1.000 58.24591 ? 82  LYS A CD   1 
ATOM   632  C  CE   . LYS A 1 82  ? 0.63944   38.71481 -22.62433 1.000 61.75181 ? 82  LYS A CE   1 
ATOM   633  N  NZ   . LYS A 1 82  ? 0.22675   39.66833 -23.70887 1.000 67.14956 ? 82  LYS A NZ   1 
ATOM   634  N  N    . PHE A 1 83  ? 2.21750   34.71628 -18.40074 1.000 49.69906 ? 83  PHE A N    1 
ATOM   635  C  CA   . PHE A 1 83  ? 3.42886   34.54781 -17.60223 1.000 46.02914 ? 83  PHE A CA   1 
ATOM   636  C  C    . PHE A 1 83  ? 4.40477   35.69269 -17.84551 1.000 46.83025 ? 83  PHE A C    1 
ATOM   637  O  O    . PHE A 1 83  ? 4.62120   36.10703 -18.98526 1.000 45.72956 ? 83  PHE A O    1 
ATOM   638  C  CB   . PHE A 1 83  ? 4.13634   33.24899 -17.99622 1.000 46.43107 ? 83  PHE A CB   1 
ATOM   639  C  CG   . PHE A 1 83  ? 3.36316   32.00585 -17.72107 1.000 42.97208 ? 83  PHE A CG   1 
ATOM   640  C  CD1  . PHE A 1 83  ? 2.91320   31.72362 -16.44132 1.000 47.58470 ? 83  PHE A CD1  1 
ATOM   641  C  CD2  . PHE A 1 83  ? 3.07569   31.12556 -18.74432 1.000 45.62022 ? 83  PHE A CD2  1 
ATOM   642  C  CE1  . PHE A 1 83  ? 2.20435   30.56030 -16.17975 1.000 42.01112 ? 83  PHE A CE1  1 
ATOM   643  C  CE2  . PHE A 1 83  ? 2.36964   29.96178 -18.49199 1.000 43.72277 ? 83  PHE A CE2  1 
ATOM   644  C  CZ   . PHE A 1 83  ? 1.93456   29.68787 -17.20965 1.000 49.01222 ? 83  PHE A CZ   1 
ATOM   645  N  N    . ARG A 1 84  ? 5.05088   36.15261 -16.78453 1.000 44.79106 ? 84  ARG A N    1 
ATOM   646  C  CA   . ARG A 1 84  ? 6.19639   37.04692 -16.92653 1.000 47.00057 ? 84  ARG A CA   1 
ATOM   647  C  C    . ARG A 1 84  ? 7.19174   36.48737 -17.93522 1.000 44.70360 ? 84  ARG A C    1 
ATOM   648  O  O    . ARG A 1 84  ? 7.55255   35.31077 -17.86620 1.000 45.63530 ? 84  ARG A O    1 
ATOM   649  C  CB   . ARG A 1 84  ? 6.89027   37.20700 -15.57439 1.000 44.78781 ? 84  ARG A CB   1 
ATOM   650  C  CG   . ARG A 1 84  ? 7.87918   38.36989 -15.54554 1.000 54.00368 ? 84  ARG A CG   1 
ATOM   651  C  CD   . ARG A 1 84  ? 9.26525   38.05649 -14.92089 1.000 56.24749 ? 84  ARG A CD   1 
ATOM   652  N  NE   . ARG A 1 84  ? 9.18999   37.26997 -13.70075 1.000 60.07301 ? 84  ARG A NE   1 
ATOM   653  C  CZ   . ARG A 1 84  ? 10.19800  37.07723 -12.86112 1.000 58.40858 ? 84  ARG A CZ   1 
ATOM   654  N  NH1  . ARG A 1 84  ? 11.31722  37.79160 -12.94311 1.000 60.39449 ? 84  ARG A NH1  1 
ATOM   655  N  NH2  . ARG A 1 84  ? 10.08487  36.13449 -11.92999 1.000 51.94575 ? 84  ARG A NH2  1 
ATOM   656  N  N    . ASP A 1 85  ? 7.65934   37.32621 -18.86187 1.000 45.93766 ? 85  ASP A N    1 
ATOM   657  C  CA   . ASP A 1 85  ? 8.60854   36.84458 -19.87064 1.000 46.35041 ? 85  ASP A CA   1 
ATOM   658  C  C    . ASP A 1 85  ? 9.97633   36.65198 -19.23983 1.000 43.14505 ? 85  ASP A C    1 
ATOM   659  O  O    . ASP A 1 85  ? 10.65306  37.62586 -18.90390 1.000 44.55030 ? 85  ASP A O    1 
ATOM   660  C  CB   . ASP A 1 85  ? 8.70110   37.80027 -21.05889 1.000 42.53119 ? 85  ASP A CB   1 
ATOM   661  C  CG   . ASP A 1 85  ? 9.52362   37.21945 -22.23503 1.000 47.76977 ? 85  ASP A CG   1 
ATOM   662  O  OD1  . ASP A 1 85  ? 10.14181  36.12678 -22.10994 1.000 44.89795 ? 85  ASP A OD1  1 
ATOM   663  O  OD2  . ASP A 1 85  ? 9.53098   37.85656 -23.31771 1.000 48.68095 ? 85  ASP A OD2  1 
ATOM   664  N  N    . ILE A 1 86  ? 10.40327  35.39891 -19.11984 1.000 42.50570 ? 86  ILE A N    1 
ATOM   665  C  CA   . ILE A 1 86  ? 11.67852  35.06687 -18.50600 1.000 41.34751 ? 86  ILE A CA   1 
ATOM   666  C  C    . ILE A 1 86  ? 12.65449  34.51341 -19.52993 1.000 44.26770 ? 86  ILE A C    1 
ATOM   667  O  O    . ILE A 1 86  ? 13.73856  34.03164 -19.16849 1.000 41.15590 ? 86  ILE A O    1 
ATOM   668  C  CB   . ILE A 1 86  ? 11.48719  34.11370 -17.30669 1.000 42.69658 ? 86  ILE A CB   1 
ATOM   669  C  CG1  . ILE A 1 86  ? 10.73595  32.83596 -17.70690 1.000 40.38134 ? 86  ILE A CG1  1 
ATOM   670  C  CG2  . ILE A 1 86  ? 10.71872  34.79047 -16.21459 1.000 43.10274 ? 86  ILE A CG2  1 
ATOM   671  C  CD1  . ILE A 1 86  ? 11.08307  31.67427 -16.77758 1.000 42.10386 ? 86  ILE A CD1  1 
ATOM   672  N  N    . ARG A 1 87  ? 12.33799  34.65190 -20.82161 1.000 43.51850 ? 87  ARG A N    1 
ATOM   673  C  CA   . ARG A 1 87  ? 13.22006  34.09628 -21.81930 1.000 39.66002 ? 87  ARG A CA   1 
ATOM   674  C  C    . ARG A 1 87  ? 14.61926  34.66938 -21.69001 1.000 38.63488 ? 87  ARG A C    1 
ATOM   675  O  O    . ARG A 1 87  ? 15.60121  33.97912 -21.97835 1.000 44.60171 ? 87  ARG A O    1 
ATOM   676  C  CB   . ARG A 1 87  ? 12.64084  34.37171 -23.21069 1.000 43.42649 ? 87  ARG A CB   1 
ATOM   677  C  CG   . ARG A 1 87  ? 11.51659  33.43059 -23.56308 1.000 41.40773 ? 87  ARG A CG   1 
ATOM   678  C  CD   . ARG A 1 87  ? 10.93469  33.80409 -24.91018 1.000 45.08620 ? 87  ARG A CD   1 
ATOM   679  N  NE   . ARG A 1 87  ? 10.18734  35.05734 -24.85458 1.000 44.32850 ? 87  ARG A NE   1 
ATOM   680  C  CZ   . ARG A 1 87  ? 9.38591   35.46513 -25.83176 1.000 55.18823 ? 87  ARG A CZ   1 
ATOM   681  N  NH1  . ARG A 1 87  ? 9.20758   34.73836 -26.92732 1.000 47.55199 ? 87  ARG A NH1  1 
ATOM   682  N  NH2  . ARG A 1 87  ? 8.75441   36.62966 -25.71374 1.000 54.06236 ? 87  ARG A NH2  1 
ATOM   683  N  N    . HIS A 1 88  ? 14.74678  35.92738 -21.27908 1.000 41.93315 ? 88  HIS A N    1 
ATOM   684  C  CA   . HIS A 1 88  ? 16.10571  36.44695 -21.16748 1.000 46.02190 ? 88  HIS A CA   1 
ATOM   685  C  C    . HIS A 1 88  ? 16.91985  35.78271 -20.04775 1.000 44.49492 ? 88  HIS A C    1 
ATOM   686  O  O    . HIS A 1 88  ? 18.15265  35.90214 -20.05065 1.000 43.34419 ? 88  HIS A O    1 
ATOM   687  C  CB   . HIS A 1 88  ? 16.06621  37.97216 -21.01281 1.000 45.49257 ? 88  HIS A CB   1 
ATOM   688  C  CG   . HIS A 1 88  ? 15.45873  38.44780 -19.73397 1.000 52.15594 ? 88  HIS A CG   1 
ATOM   689  N  ND1  . HIS A 1 88  ? 16.21675  38.73691 -18.61669 1.000 51.19889 ? 88  HIS A ND1  1 
ATOM   690  C  CD2  . HIS A 1 88  ? 14.16487  38.67161 -19.38354 1.000 51.61857 ? 88  HIS A CD2  1 
ATOM   691  C  CE1  . HIS A 1 88  ? 15.41760  39.13271 -17.63775 1.000 52.04058 ? 88  HIS A CE1  1 
ATOM   692  N  NE2  . HIS A 1 88  ? 14.16819  39.08777 -18.06865 1.000 50.83472 ? 88  HIS A NE2  1 
ATOM   693  N  N    . PHE A 1 89  ? 16.28723  35.05193 -19.12117 1.000 42.45503 ? 89  PHE A N    1 
ATOM   694  C  CA   . PHE A 1 89  ? 17.04587  34.27368 -18.14393 1.000 40.47225 ? 89  PHE A CA   1 
ATOM   695  C  C    . PHE A 1 89  ? 17.50518  32.93696 -18.68559 1.000 42.17692 ? 89  PHE A C    1 
ATOM   696  O  O    . PHE A 1 89  ? 18.16956  32.19301 -17.96461 1.000 40.32620 ? 89  PHE A O    1 
ATOM   697  C  CB   . PHE A 1 89  ? 16.20073  34.03848 -16.89301 1.000 38.66730 ? 89  PHE A CB   1 
ATOM   698  C  CG   . PHE A 1 89  ? 15.94248  35.27877 -16.13553 1.000 42.43846 ? 89  PHE A CG   1 
ATOM   699  C  CD1  . PHE A 1 89  ? 16.99904  36.09773 -15.75460 1.000 42.70011 ? 89  PHE A CD1  1 
ATOM   700  C  CD2  . PHE A 1 89  ? 14.64722  35.67031 -15.83540 1.000 43.61271 ? 89  PHE A CD2  1 
ATOM   701  C  CE1  . PHE A 1 89  ? 16.76000  37.26976 -15.04536 1.000 47.26960 ? 89  PHE A CE1  1 
ATOM   702  C  CE2  . PHE A 1 89  ? 14.40590  36.83805 -15.11250 1.000 47.96137 ? 89  PHE A CE2  1 
ATOM   703  C  CZ   . PHE A 1 89  ? 15.46073  37.64388 -14.73735 1.000 47.44395 ? 89  PHE A CZ   1 
ATOM   704  N  N    . LEU A 1 90  ? 17.17909  32.60938 -20.02436 1.000 41.00345 ? 90  LEU A N    1 
ATOM   705  C  CA   . LEU A 1 90  ? 17.52741  31.26045 -20.45494 1.000 40.05936 ? 90  LEU A CA   1 
ATOM   706  C  C    . LEU A 1 90  ? 18.94241  31.24389 -21.03546 1.000 41.37519 ? 90  LEU A C    1 
ATOM   707  O  O    . LEU A 1 90  ? 19.38493  32.22148 -21.65279 1.000 40.67434 ? 90  LEU A O    1 
ATOM   708  C  CB   . LEU A 1 90  ? 16.55468  30.79072 -21.51456 1.000 43.17998 ? 90  LEU A CB   1 
ATOM   709  C  CG   . LEU A 1 90  ? 15.10532  30.68749 -21.05957 1.000 41.61939 ? 90  LEU A CG   1 
ATOM   710  C  CD1  . LEU A 1 90  ? 14.22051  30.41274 -22.29385 1.000 40.26043 ? 90  LEU A CD1  1 
ATOM   711  C  CD2  . LEU A 1 90  ? 14.95824  29.62788 -20.03966 1.000 40.79856 ? 90  LEU A CD2  1 
ATOM   712  N  N    . PRO A 1 91  ? 19.66646  30.15063 -20.83694 1.000 39.99949 ? 91  PRO A N    1 
ATOM   713  C  CA   . PRO A 1 91  ? 21.01529  30.04500 -21.39072 1.000 41.47196 ? 91  PRO A CA   1 
ATOM   714  C  C    . PRO A 1 91  ? 20.97232  30.00599 -22.90491 1.000 42.53288 ? 91  PRO A C    1 
ATOM   715  O  O    . PRO A 1 91  ? 20.09336  29.39147 -23.51483 1.000 37.60479 ? 91  PRO A O    1 
ATOM   716  C  CB   . PRO A 1 91  ? 21.51426  28.70473 -20.85698 1.000 39.41913 ? 91  PRO A CB   1 
ATOM   717  C  CG   . PRO A 1 91  ? 20.64214  28.43593 -19.67212 1.000 46.51727 ? 91  PRO A CG   1 
ATOM   718  C  CD   . PRO A 1 91  ? 19.30099  28.95764 -20.07502 1.000 42.94240 ? 91  PRO A CD   1 
ATOM   719  N  N    . ARG A 1 92  ? 21.98440  30.60677 -23.50666 1.000 41.56160 ? 92  ARG A N    1 
ATOM   720  C  CA   . ARG A 1 92  ? 22.06549  30.54929 -24.96059 1.000 43.97701 ? 92  ARG A CA   1 
ATOM   721  C  C    . ARG A 1 92  ? 22.66394  29.21842 -25.41419 1.000 40.75335 ? 92  ARG A C    1 
ATOM   722  O  O    . ARG A 1 92  ? 22.15553  28.59897 -26.34269 1.000 45.05420 ? 92  ARG A O    1 
ATOM   723  C  CB   . ARG A 1 92  ? 22.86657  31.74508 -25.44034 1.000 42.70500 ? 92  ARG A CB   1 
ATOM   724  C  CG   . ARG A 1 92  ? 23.17544  31.75620 -26.89276 1.000 55.24506 ? 92  ARG A CG   1 
ATOM   725  C  CD   . ARG A 1 92  ? 24.06688  32.92699 -27.19724 1.000 56.17510 ? 92  ARG A CD   1 
ATOM   726  N  NE   . ARG A 1 92  ? 23.31604  34.07976 -27.68471 1.000 66.00501 ? 92  ARG A NE   1 
ATOM   727  C  CZ   . ARG A 1 92  ? 23.80945  34.96128 -28.54869 1.000 72.71796 ? 92  ARG A CZ   1 
ATOM   728  N  NH1  . ARG A 1 92  ? 25.02008  34.80201 -29.08336 1.000 62.77666 ? 92  ARG A NH1  1 
ATOM   729  N  NH2  . ARG A 1 92  ? 23.05373  35.99731 -28.92528 1.000 80.52656 ? 92  ARG A NH2  1 
ATOM   730  N  N    . TYR A 1 93  ? 23.67065  28.70536 -24.72103 1.000 41.16971 ? 93  TYR A N    1 
ATOM   731  C  CA   . TYR A 1 93  ? 24.33971  27.46709 -25.09023 1.000 39.64279 ? 93  TYR A CA   1 
ATOM   732  C  C    . TYR A 1 93  ? 24.26732  26.42153 -23.98680 1.000 43.54979 ? 93  TYR A C    1 
ATOM   733  O  O    . TYR A 1 93  ? 24.00744  26.72775 -22.81196 1.000 40.82982 ? 93  TYR A O    1 
ATOM   734  C  CB   . TYR A 1 93  ? 25.81461  27.74862 -25.44740 1.000 44.70920 ? 93  TYR A CB   1 
ATOM   735  C  CG   . TYR A 1 93  ? 25.96084  28.69434 -26.63725 1.000 48.25282 ? 93  TYR A CG   1 
ATOM   736  C  CD1  . TYR A 1 93  ? 25.41281  28.37417 -27.89164 1.000 44.69577 ? 93  TYR A CD1  1 
ATOM   737  C  CD2  . TYR A 1 93  ? 26.60061  29.91659 -26.49732 1.000 48.49455 ? 93  TYR A CD2  1 
ATOM   738  C  CE1  . TYR A 1 93  ? 25.52186  29.26024 -29.00071 1.000 47.27396 ? 93  TYR A CE1  1 
ATOM   739  C  CE2  . TYR A 1 93  ? 26.72411  30.80624 -27.57957 1.000 49.23582 ? 93  TYR A CE2  1 
ATOM   740  C  CZ   . TYR A 1 93  ? 26.18937  30.47779 -28.82472 1.000 51.23350 ? 93  TYR A CZ   1 
ATOM   741  O  OH   . TYR A 1 93  ? 26.34246  31.38787 -29.84261 1.000 47.41721 ? 93  TYR A OH   1 
ATOM   742  N  N    . GLU A 1 94  ? 24.55064  25.17277 -24.36152 1.000 40.31482 ? 94  GLU A N    1 
ATOM   743  C  CA   . GLU A 1 94  ? 24.88177  24.16482 -23.35790 1.000 43.60597 ? 94  GLU A CA   1 
ATOM   744  C  C    . GLU A 1 94  ? 26.05554  24.60437 -22.46968 1.000 43.71333 ? 94  GLU A C    1 
ATOM   745  O  O    . GLU A 1 94  ? 26.96428  25.32360 -22.90338 1.000 43.92164 ? 94  GLU A O    1 
ATOM   746  C  CB   . GLU A 1 94  ? 25.23738  22.84043 -24.02556 1.000 43.00980 ? 94  GLU A CB   1 
ATOM   747  C  CG   . GLU A 1 94  ? 24.27360  22.31428 -25.07882 1.000 45.44810 ? 94  GLU A CG   1 
ATOM   748  C  CD   . GLU A 1 94  ? 24.75727  20.95474 -25.62404 1.000 47.93749 ? 94  GLU A CD   1 
ATOM   749  O  OE1  . GLU A 1 94  ? 25.99189  20.70211 -25.54922 1.000 45.74297 ? 94  GLU A OE1  1 
ATOM   750  O  OE2  . GLU A 1 94  ? 23.93521  20.15662 -26.14956 1.000 47.56569 ? 94  GLU A OE2  1 
ATOM   751  N  N    . ASP A 1 95  ? 26.06712  24.13358 -21.21497 1.000 44.69586 ? 95  ASP A N    1 
ATOM   752  C  CA   . ASP A 1 95  ? 27.07803  24.61896 -20.26874 1.000 43.50499 ? 95  ASP A CA   1 
ATOM   753  C  C    . ASP A 1 95  ? 27.08601  23.74730 -19.01865 1.000 45.18525 ? 95  ASP A C    1 
ATOM   754  O  O    . ASP A 1 95  ? 26.13131  23.00651 -18.75626 1.000 43.84227 ? 95  ASP A O    1 
ATOM   755  C  CB   . ASP A 1 95  ? 26.81577  26.07190 -19.86183 1.000 46.28194 ? 95  ASP A CB   1 
ATOM   756  C  CG   . ASP A 1 95  ? 28.08674  26.81031 -19.48270 1.000 48.98759 ? 95  ASP A CG   1 
ATOM   757  O  OD1  . ASP A 1 95  ? 29.15105  26.16866 -19.36882 1.000 48.26958 ? 95  ASP A OD1  1 
ATOM   758  O  OD2  . ASP A 1 95  ? 28.01060  28.03649 -19.28117 1.000 49.31732 ? 95  ASP A OD2  1 
ATOM   759  N  N    . ASP A 1 96  ? 28.16437  23.85590 -18.23566 1.000 44.91460 ? 96  ASP A N    1 
ATOM   760  C  CA   . ASP A 1 96  ? 28.17659  23.25172 -16.91109 1.000 46.03423 ? 96  ASP A CA   1 
ATOM   761  C  C    . ASP A 1 96  ? 27.86448  24.37684 -15.93188 1.000 47.47518 ? 96  ASP A C    1 
ATOM   762  O  O    . ASP A 1 96  ? 28.03434  25.55294 -16.26535 1.000 47.48085 ? 96  ASP A O    1 
ATOM   763  C  CB   . ASP A 1 96  ? 29.53618  22.65285 -16.55719 1.000 52.43802 ? 96  ASP A CB   1 
ATOM   764  C  CG   . ASP A 1 96  ? 29.92179  21.49622 -17.46844 1.000 56.03795 ? 96  ASP A CG   1 
ATOM   765  O  OD1  . ASP A 1 96  ? 29.20876  20.48090 -17.59561 1.000 54.51740 ? 96  ASP A OD1  1 
ATOM   766  O  OD2  . ASP A 1 96  ? 31.03766  21.56390 -18.02309 1.000 67.83852 ? 96  ASP A OD2  1 
ATOM   767  N  N    . TYR A 1 97  ? 27.43431  24.03070 -14.70571 1.000 41.05561 ? 97  TYR A N    1 
ATOM   768  C  CA   . TYR A 1 97  ? 26.98123  25.07104 -13.78870 1.000 43.48091 ? 97  TYR A CA   1 
ATOM   769  C  C    . TYR A 1 97  ? 27.42424  24.74599 -12.37942 1.000 42.21063 ? 97  TYR A C    1 
ATOM   770  O  O    . TYR A 1 97  ? 27.61250  23.57842 -12.01984 1.000 42.85365 ? 97  TYR A O    1 
ATOM   771  C  CB   . TYR A 1 97  ? 25.45326  25.23397 -13.78886 1.000 43.72212 ? 97  TYR A CB   1 
ATOM   772  C  CG   . TYR A 1 97  ? 24.95242  25.75688 -15.10157 1.000 45.34556 ? 97  TYR A CG   1 
ATOM   773  C  CD1  . TYR A 1 97  ? 24.85380  27.12002 -15.32085 1.000 46.19096 ? 97  TYR A CD1  1 
ATOM   774  C  CD2  . TYR A 1 97  ? 24.66119  24.89963 -16.14869 1.000 43.38786 ? 97  TYR A CD2  1 
ATOM   775  C  CE1  . TYR A 1 97  ? 24.43357  27.61712 -16.53527 1.000 45.75130 ? 97  TYR A CE1  1 
ATOM   776  C  CE2  . TYR A 1 97  ? 24.22167  25.38750 -17.37765 1.000 41.52643 ? 97  TYR A CE2  1 
ATOM   777  C  CZ   . TYR A 1 97  ? 24.12018  26.74779 -17.55911 1.000 42.81849 ? 97  TYR A CZ   1 
ATOM   778  O  OH   . TYR A 1 97  ? 23.70185  27.26811 -18.75494 1.000 46.32338 ? 97  TYR A OH   1 
ATOM   779  N  N    . ASN A 1 98  ? 27.52958  25.79815 -11.57643 1.000 45.20795 ? 98  ASN A N    1 
ATOM   780  C  CA   . ASN A 1 98  ? 27.89131  25.68573 -10.16446 1.000 45.61902 ? 98  ASN A CA   1 
ATOM   781  C  C    . ASN A 1 98  ? 26.69077  25.92021 -9.26311  1.000 48.86072 ? 98  ASN A C    1 
ATOM   782  O  O    . ASN A 1 98  ? 25.94269  26.89567 -9.44302  1.000 46.38691 ? 98  ASN A O    1 
ATOM   783  C  CB   . ASN A 1 98  ? 28.97241  26.69950 -9.78274  1.000 44.87962 ? 98  ASN A CB   1 
ATOM   784  C  CG   . ASN A 1 98  ? 30.23723  26.48639 -10.53253 1.000 55.67362 ? 98  ASN A CG   1 
ATOM   785  O  OD1  . ASN A 1 98  ? 30.75437  27.40742 -11.19291 1.000 56.70278 ? 98  ASN A OD1  1 
ATOM   786  N  ND2  . ASN A 1 98  ? 30.75035  25.24940 -10.47214 1.000 55.21124 ? 98  ASN A ND2  1 
ATOM   787  N  N    . ASP A 1 99  ? 26.54244  25.04205 -8.27446  1.000 46.85147 ? 99  ASP A N    1 
ATOM   788  C  CA   . ASP A 1 99  ? 25.77896  25.29435 -7.05947  1.000 48.81471 ? 99  ASP A CA   1 
ATOM   789  C  C    . ASP A 1 99  ? 24.33132  25.71615 -7.39857  1.000 48.47112 ? 99  ASP A C    1 
ATOM   790  O  O    . ASP A 1 99  ? 23.85870  26.81901 -7.07975  1.000 48.09894 ? 99  ASP A O    1 
ATOM   791  C  CB   . ASP A 1 99  ? 26.53522  26.32553 -6.21253  1.000 49.54647 ? 99  ASP A CB   1 
ATOM   792  C  CG   . ASP A 1 99  ? 25.75546  26.78256 -4.98906  1.000 65.24136 ? 99  ASP A CG   1 
ATOM   793  O  OD1  . ASP A 1 99  ? 25.21649  25.89606 -4.24660  1.000 63.68030 ? 99  ASP A OD1  1 
ATOM   794  O  OD2  . ASP A 1 99  ? 25.72716  28.01644 -4.74078  1.000 66.91138 ? 99  ASP A OD2  1 
ATOM   795  N  N    . ALA A 1 100 ? 23.59802  24.77931 -8.00892  1.000 39.29324 ? 100 ALA A N    1 
ATOM   796  C  CA   . ALA A 1 100 ? 22.27286  25.08973 -8.53841  1.000 42.33706 ? 100 ALA A CA   1 
ATOM   797  C  C    . ALA A 1 100 ? 21.18520  24.77281 -7.52686  1.000 38.96597 ? 100 ALA A C    1 
ATOM   798  O  O    . ALA A 1 100 ? 21.38441  23.99497 -6.58521  1.000 45.20491 ? 100 ALA A O    1 
ATOM   799  C  CB   . ALA A 1 100 ? 22.00267  24.31681 -9.84432  1.000 35.08620 ? 100 ALA A CB   1 
ATOM   800  N  N    . VAL A 1 101 ? 20.01213  25.38334 -7.73005  1.000 39.80435 ? 101 VAL A N    1 
ATOM   801  C  CA   . VAL A 1 101 ? 18.84297  25.12502 -6.89163  1.000 38.18628 ? 101 VAL A CA   1 
ATOM   802  C  C    . VAL A 1 101 ? 17.78253  24.42922 -7.73408  1.000 40.31073 ? 101 VAL A C    1 
ATOM   803  O  O    . VAL A 1 101 ? 17.55175  24.80499 -8.89555  1.000 39.85495 ? 101 VAL A O    1 
ATOM   804  C  CB   . VAL A 1 101 ? 18.28942  26.41597 -6.26582  1.000 42.84708 ? 101 VAL A CB   1 
ATOM   805  C  CG1  . VAL A 1 101 ? 17.06519  26.10560 -5.43421  1.000 38.86543 ? 101 VAL A CG1  1 
ATOM   806  C  CG2  . VAL A 1 101 ? 19.34407  27.06698 -5.37918  1.000 42.35242 ? 101 VAL A CG2  1 
ATOM   807  N  N    . LEU A 1 102 ? 17.18378  23.38856 -7.16666  1.000 35.53617 ? 102 LEU A N    1 
ATOM   808  C  CA   . LEU A 1 102 ? 16.01042  22.71556 -7.70556  1.000 34.63041 ? 102 LEU A CA   1 
ATOM   809  C  C    . LEU A 1 102 ? 14.78919  23.11046 -6.88089  1.000 38.19713 ? 102 LEU A C    1 
ATOM   810  O  O    . LEU A 1 102 ? 14.78024  22.93819 -5.64356  1.000 36.36393 ? 102 LEU A O    1 
ATOM   811  C  CB   . LEU A 1 102 ? 16.21030  21.19706 -7.65902  1.000 33.57026 ? 102 LEU A CB   1 
ATOM   812  C  CG   . LEU A 1 102 ? 14.91383  20.43855 -7.95880  1.000 39.07024 ? 102 LEU A CG   1 
ATOM   813  C  CD1  . LEU A 1 102 ? 14.58585  20.49496 -9.46560  1.000 36.10550 ? 102 LEU A CD1  1 
ATOM   814  C  CD2  . LEU A 1 102 ? 15.03223  18.98571 -7.55933  1.000 39.45628 ? 102 LEU A CD2  1 
ATOM   815  N  N    . SER A 1 103 ? 13.75965  23.63128 -7.54647  1.000 35.55204 ? 103 SER A N    1 
ATOM   816  C  CA   . SER A 1 103 ? 12.55813  24.11663 -6.86897  1.000 36.28327 ? 103 SER A CA   1 
ATOM   817  C  C    . SER A 1 103 ? 11.29928  23.42700 -7.36690  1.000 39.99676 ? 103 SER A C    1 
ATOM   818  O  O    . SER A 1 103 ? 11.04786  23.36787 -8.58577  1.000 34.73170 ? 103 SER A O    1 
ATOM   819  C  CB   . SER A 1 103 ? 12.37912  25.62177 -7.02670  1.000 39.28103 ? 103 SER A CB   1 
ATOM   820  O  OG   . SER A 1 103 ? 13.63387  26.25463 -7.02285  1.000 47.93522 ? 103 SER A OG   1 
ATOM   821  N  N    . VAL A 1 104 ? 10.46393  23.00768 -6.41353  1.000 33.14888 ? 104 VAL A N    1 
ATOM   822  C  CA   . VAL A 1 104 ? 9.25349   22.24281 -6.68244  1.000 34.03110 ? 104 VAL A CA   1 
ATOM   823  C  C    . VAL A 1 104 ? 8.03483   23.03315 -6.23083  1.000 40.56017 ? 104 VAL A C    1 
ATOM   824  O  O    . VAL A 1 104 ? 8.04351   23.68680 -5.17394  1.000 41.93891 ? 104 VAL A O    1 
ATOM   825  C  CB   . VAL A 1 104 ? 9.32992   20.87584 -5.98937  1.000 37.71869 ? 104 VAL A CB   1 
ATOM   826  C  CG1  . VAL A 1 104 ? 8.08217   20.06063 -6.21998  1.000 39.36085 ? 104 VAL A CG1  1 
ATOM   827  C  CG2  . VAL A 1 104 ? 10.54306  20.17002 -6.47371  1.000 36.61585 ? 104 VAL A CG2  1 
ATOM   828  N  N    . HIS A 1 105 ? 6.96537   22.92070 -7.01874  1.000 39.42128 ? 105 HIS A N    1 
ATOM   829  C  CA   . HIS A 1 105 ? 5.65831   23.53805 -6.75759  1.000 40.95879 ? 105 HIS A CA   1 
ATOM   830  C  C    . HIS A 1 105 ? 4.57854   22.52291 -7.14952  1.000 44.62069 ? 105 HIS A C    1 
ATOM   831  O  O    . HIS A 1 105 ? 4.16997   22.44897 -8.31697  1.000 39.30187 ? 105 HIS A O    1 
ATOM   832  C  CB   . HIS A 1 105 ? 5.51352   24.83651 -7.53653  1.000 42.06701 ? 105 HIS A CB   1 
ATOM   833  C  CG   . HIS A 1 105 ? 4.19952   25.53285 -7.32167  1.000 47.45147 ? 105 HIS A CG   1 
ATOM   834  N  ND1  . HIS A 1 105 ? 3.94348   26.80663 -7.78818  1.000 48.33351 ? 105 HIS A ND1  1 
ATOM   835  C  CD2  . HIS A 1 105 ? 3.07940   25.14527 -6.66257  1.000 45.48154 ? 105 HIS A CD2  1 
ATOM   836  C  CE1  . HIS A 1 105 ? 2.71297   27.15874 -7.45910  1.000 46.91076 ? 105 HIS A CE1  1 
ATOM   837  N  NE2  . HIS A 1 105 ? 2.16950   26.17029 -6.77077  1.000 50.41360 ? 105 HIS A NE2  1 
ATOM   838  N  N    . THR A 1 106 ? 4.15728   21.70479 -6.19068  1.000 40.67975 ? 106 THR A N    1 
ATOM   839  C  CA   . THR A 1 106 ? 3.07357   20.74812 -6.38891  1.000 41.46709 ? 106 THR A CA   1 
ATOM   840  C  C    . THR A 1 106 ? 2.06465   20.95375 -5.28130  1.000 42.74326 ? 106 THR A C    1 
ATOM   841  O  O    . THR A 1 106 ? 2.27187   21.77179 -4.39020  1.000 46.69959 ? 106 THR A O    1 
ATOM   842  C  CB   . THR A 1 106 ? 3.55546   19.28886 -6.40799  1.000 43.23733 ? 106 THR A CB   1 
ATOM   843  O  OG1  . THR A 1 106 ? 4.13927   18.93990 -5.13812  1.000 42.65661 ? 106 THR A OG1  1 
ATOM   844  C  CG2  . THR A 1 106 ? 4.53511   19.04606 -7.51381  1.000 39.85889 ? 106 THR A CG2  1 
ATOM   845  N  N    . SER A 1 107 ? 0.96474   20.20241 -5.32187  1.000 41.68022 ? 107 SER A N    1 
ATOM   846  C  CA   . SER A 1 107 ? 0.02220   20.25257 -4.20874  1.000 46.48542 ? 107 SER A CA   1 
ATOM   847  C  C    . SER A 1 107 ? 0.66822   19.77380 -2.90424  1.000 44.77068 ? 107 SER A C    1 
ATOM   848  O  O    . SER A 1 107 ? 0.49519   20.39514 -1.84721  1.000 43.42188 ? 107 SER A O    1 
ATOM   849  C  CB   . SER A 1 107 ? -1.21532  19.42163 -4.54507  1.000 48.32135 ? 107 SER A CB   1 
ATOM   850  O  OG   . SER A 1 107 ? -2.04118  20.09498 -5.46189  1.000 49.63743 ? 107 SER A OG   1 
ATOM   851  N  N    . LYS A 1 108 ? 1.41571   18.66945 -2.96104  1.000 44.19115 ? 108 LYS A N    1 
ATOM   852  C  CA   . LYS A 1 108 ? 2.14381   18.18667 -1.79326  1.000 46.89264 ? 108 LYS A CA   1 
ATOM   853  C  C    . LYS A 1 108 ? 3.19860   19.17319 -1.31864  1.000 47.26130 ? 108 LYS A C    1 
ATOM   854  O  O    . LYS A 1 108 ? 3.37896   19.37467 -0.10826  1.000 45.46511 ? 108 LYS A O    1 
ATOM   855  C  CB   . LYS A 1 108 ? 2.80863   16.84846 -2.11043  1.000 48.68045 ? 108 LYS A CB   1 
ATOM   856  C  CG   . LYS A 1 108 ? 3.03276   15.97066 -0.87104  1.000 49.90965 ? 108 LYS A CG   1 
ATOM   857  C  CD   . LYS A 1 108 ? 3.40644   14.52229 -1.24034  1.000 56.67407 ? 108 LYS A CD   1 
ATOM   858  C  CE   . LYS A 1 108 ? 3.87012   13.70147 -0.02401  1.000 63.71017 ? 108 LYS A CE   1 
ATOM   859  N  NZ   . LYS A 1 108 ? 4.59083   12.45040 -0.44636  1.000 64.55943 ? 108 LYS A NZ   1 
ATOM   860  N  N    . PHE A 1 109 ? 3.95916   19.73931 -2.24834  1.000 42.11174 ? 109 PHE A N    1 
ATOM   861  C  CA   . PHE A 1 109 ? 5.06949   20.63038 -1.92871  1.000 43.15528 ? 109 PHE A CA   1 
ATOM   862  C  C    . PHE A 1 109 ? 4.85423   21.94616 -2.65428  1.000 45.28868 ? 109 PHE A C    1 
ATOM   863  O  O    . PHE A 1 109 ? 5.32340   22.14376 -3.78513  1.000 45.10020 ? 109 PHE A O    1 
ATOM   864  C  CB   . PHE A 1 109 ? 6.40789   19.98344 -2.27332  1.000 45.31400 ? 109 PHE A CB   1 
ATOM   865  C  CG   . PHE A 1 109 ? 6.69535   18.75174 -1.45159  1.000 47.80874 ? 109 PHE A CG   1 
ATOM   866  C  CD1  . PHE A 1 109 ? 7.03088   18.86982 -0.12571  1.000 50.93743 ? 109 PHE A CD1  1 
ATOM   867  C  CD2  . PHE A 1 109 ? 6.66083   17.49328 -2.00933  1.000 47.88901 ? 109 PHE A CD2  1 
ATOM   868  C  CE1  . PHE A 1 109 ? 7.29563   17.73672 0.64767   1.000 51.11094 ? 109 PHE A CE1  1 
ATOM   869  C  CE2  . PHE A 1 109 ? 6.94072   16.36478 -1.27455  1.000 46.46528 ? 109 PHE A CE2  1 
ATOM   870  C  CZ   . PHE A 1 109 ? 7.24889   16.48106 0.07640   1.000 52.06898 ? 109 PHE A CZ   1 
ATOM   871  N  N    . PRO A 1 110 ? 4.10073   22.86161 -2.05878  1.000 46.57602 ? 110 PRO A N    1 
ATOM   872  C  CA   . PRO A 1 110 ? 3.78762   24.11717 -2.76217  1.000 46.06176 ? 110 PRO A CA   1 
ATOM   873  C  C    . PRO A 1 110 ? 4.99037   25.03519 -2.95074  1.000 47.48465 ? 110 PRO A C    1 
ATOM   874  O  O    . PRO A 1 110 ? 4.98408   25.85952 -3.88399  1.000 47.78571 ? 110 PRO A O    1 
ATOM   875  C  CB   . PRO A 1 110 ? 2.71141   24.75799 -1.86109  1.000 45.98246 ? 110 PRO A CB   1 
ATOM   876  C  CG   . PRO A 1 110 ? 2.18329   23.60642 -1.00381  1.000 46.13086 ? 110 PRO A CG   1 
ATOM   877  C  CD   . PRO A 1 110 ? 3.36856   22.72597 -0.78489  1.000 43.77135 ? 110 PRO A CD   1 
ATOM   878  N  N    . ASN A 1 111 ? 6.03186   24.88296 -2.13290  1.000 42.39147 ? 111 ASN A N    1 
ATOM   879  C  CA   . ASN A 1 111 ? 7.14696   25.83261 -2.09726  1.000 41.98374 ? 111 ASN A CA   1 
ATOM   880  C  C    . ASN A 1 111 ? 8.32654   25.08881 -1.45790  1.000 46.75471 ? 111 ASN A C    1 
ATOM   881  O  O    . ASN A 1 111 ? 8.46010   25.06655 -0.23139  1.000 42.31322 ? 111 ASN A O    1 
ATOM   882  C  CB   . ASN A 1 111 ? 6.79218   27.05531 -1.27892  1.000 49.38473 ? 111 ASN A CB   1 
ATOM   883  C  CG   . ASN A 1 111 ? 7.43980   28.31024 -1.78605  1.000 50.99845 ? 111 ASN A CG   1 
ATOM   884  O  OD1  . ASN A 1 111 ? 8.50322   28.25822 -2.38541  1.000 55.53985 ? 111 ASN A OD1  1 
ATOM   885  N  ND2  . ASN A 1 111 ? 6.88426   29.46232 -1.41248  1.000 57.72992 ? 111 ASN A ND2  1 
ATOM   886  N  N    . MET A 1 112 ? 9.16852   24.48520 -2.27720  1.000 40.85666 ? 112 MET A N    1 
ATOM   887  C  CA   . MET A 1 112 ? 10.30390  23.76302 -1.70178  1.000 41.86965 ? 112 MET A CA   1 
ATOM   888  C  C    . MET A 1 112 ? 11.55011  23.90918 -2.55941  1.000 42.55215 ? 112 MET A C    1 
ATOM   889  O  O    . MET A 1 112 ? 11.47466  23.91669 -3.80210  1.000 42.20429 ? 112 MET A O    1 
ATOM   890  C  CB   . MET A 1 112 ? 9.97693   22.28915 -1.52779  1.000 43.24023 ? 112 MET A CB   1 
ATOM   891  C  CG   . MET A 1 112 ? 11.16326  21.40353 -1.74996  1.000 46.47136 ? 112 MET A CG   1 
ATOM   892  S  SD   . MET A 1 112 ? 10.66795  19.70800 -1.43282  1.000 68.93518 ? 112 MET A SD   1 
ATOM   893  N  N    . TYR A 1 113 ? 12.69225  24.04436 -1.89121  1.000 37.62565 ? 113 TYR A N    1 
ATOM   894  C  CA   . TYR A 1 113 ? 13.96211  24.34513 -2.54083  1.000 36.32323 ? 113 TYR A CA   1 
ATOM   895  C  C    . TYR A 1 113 ? 15.01703  23.34110 -2.10657  1.000 42.17121 ? 113 TYR A C    1 
ATOM   896  O  O    . TYR A 1 113 ? 15.22269  23.12245 -0.90144  1.000 37.37203 ? 113 TYR A O    1 
ATOM   897  C  CB   . TYR A 1 113 ? 14.42631  25.76671 -2.20184  1.000 38.83516 ? 113 TYR A CB   1 
ATOM   898  C  CG   . TYR A 1 113 ? 13.39528  26.79206 -2.60155  1.000 42.79670 ? 113 TYR A CG   1 
ATOM   899  C  CD1  . TYR A 1 113 ? 12.34379  27.13173 -1.73729  1.000 42.29852 ? 113 TYR A CD1  1 
ATOM   900  C  CD2  . TYR A 1 113 ? 13.44012  27.39582 -3.86303  1.000 39.66219 ? 113 TYR A CD2  1 
ATOM   901  C  CE1  . TYR A 1 113 ? 11.37513  28.07290 -2.11269  1.000 42.18365 ? 113 TYR A CE1  1 
ATOM   902  C  CE2  . TYR A 1 113 ? 12.47971  28.31974 -4.24798  1.000 36.20890 ? 113 TYR A CE2  1 
ATOM   903  C  CZ   . TYR A 1 113 ? 11.44721  28.64455 -3.40669  1.000 44.53107 ? 113 TYR A CZ   1 
ATOM   904  O  OH   . TYR A 1 113 ? 10.50845  29.56958 -3.83821  1.000 43.46943 ? 113 TYR A OH   1 
ATOM   905  N  N    . ILE A 1 114 ? 15.71438  22.78081 -3.08830  1.000 33.68848 ? 114 ILE A N    1 
ATOM   906  C  CA   . ILE A 1 114 ? 16.74978  21.78391 -2.86143  1.000 35.00046 ? 114 ILE A CA   1 
ATOM   907  C  C    . ILE A 1 114 ? 18.02606  22.25027 -3.54592  1.000 39.92314 ? 114 ILE A C    1 
ATOM   908  O  O    . ILE A 1 114 ? 18.06608  22.34541 -4.79165  1.000 38.82493 ? 114 ILE A O    1 
ATOM   909  C  CB   . ILE A 1 114 ? 16.30184  20.41889 -3.38626  1.000 35.24753 ? 114 ILE A CB   1 
ATOM   910  C  CG1  . ILE A 1 114 ? 15.05875  19.97972 -2.65537  1.000 43.27172 ? 114 ILE A CG1  1 
ATOM   911  C  CG2  . ILE A 1 114 ? 17.38718  19.38319 -3.22953  1.000 38.09881 ? 114 ILE A CG2  1 
ATOM   912  C  CD1  . ILE A 1 114 ? 14.33923  18.83599 -3.32464  1.000 43.93552 ? 114 ILE A CD1  1 
ATOM   913  N  N    . PRO A 1 115 ? 19.07705  22.57273 -2.79151  1.000 39.44765 ? 115 PRO A N    1 
ATOM   914  C  CA   . PRO A 1 115 ? 20.38553  22.82839 -3.41146  1.000 37.07620 ? 115 PRO A CA   1 
ATOM   915  C  C    . PRO A 1 115 ? 20.96424  21.50339 -3.88181  1.000 42.82365 ? 115 PRO A C    1 
ATOM   916  O  O    . PRO A 1 115 ? 21.17747  20.60318 -3.07322  1.000 43.13172 ? 115 PRO A O    1 
ATOM   917  C  CB   . PRO A 1 115 ? 21.22046  23.42993 -2.26896  1.000 45.84092 ? 115 PRO A CB   1 
ATOM   918  C  CG   . PRO A 1 115 ? 20.25037  23.66139 -1.12964  1.000 43.44910 ? 115 PRO A CG   1 
ATOM   919  C  CD   . PRO A 1 115 ? 19.14576  22.68480 -1.31744  1.000 41.14709 ? 115 PRO A CD   1 
ATOM   920  N  N    . VAL A 1 116 ? 21.18046  21.36170 -5.20119  1.000 41.00196 ? 116 VAL A N    1 
ATOM   921  C  CA   . VAL A 1 116 ? 21.68598  20.10475 -5.72549  1.000 37.65306 ? 116 VAL A CA   1 
ATOM   922  C  C    . VAL A 1 116 ? 23.17960  20.15076 -6.00300  1.000 37.68865 ? 116 VAL A C    1 
ATOM   923  O  O    . VAL A 1 116 ? 23.74394  19.15295 -6.48044  1.000 43.88646 ? 116 VAL A O    1 
ATOM   924  C  CB   . VAL A 1 116 ? 20.90998  19.71049 -7.00207  1.000 40.61284 ? 116 VAL A CB   1 
ATOM   925  C  CG1  . VAL A 1 116 ? 19.45333  19.38434 -6.63974  1.000 36.88191 ? 116 VAL A CG1  1 
ATOM   926  C  CG2  . VAL A 1 116 ? 20.94767  20.86644 -7.97160  1.000 35.14384 ? 116 VAL A CG2  1 
ATOM   927  N  N    . GLY A 1 117 ? 23.82557  21.29261 -5.78232  1.000 39.59094 ? 117 GLY A N    1 
ATOM   928  C  CA   . GLY A 1 117 ? 25.25672  21.41865 -6.01383  1.000 38.87551 ? 117 GLY A CA   1 
ATOM   929  C  C    . GLY A 1 117 ? 25.63992  21.62657 -7.46853  1.000 44.95512 ? 117 GLY A C    1 
ATOM   930  O  O    . GLY A 1 117 ? 25.00277  22.42393 -8.17246  1.000 37.63039 ? 117 GLY A O    1 
ATOM   931  N  N    . GLN A 1 118 ? 26.70442  20.95784 -7.91659  1.000 37.33522 ? 118 GLN A N    1 
ATOM   932  C  CA   . GLN A 1 118 ? 27.16715  21.17119 -9.28282  1.000 49.82286 ? 118 GLN A CA   1 
ATOM   933  C  C    . GLN A 1 118 ? 26.30183  20.45853 -10.29463 1.000 41.57697 ? 118 GLN A C    1 
ATOM   934  O  O    . GLN A 1 118 ? 25.76683  19.36953 -10.04487 1.000 40.57035 ? 118 GLN A O    1 
ATOM   935  C  CB   . GLN A 1 118 ? 28.58243  20.67791 -9.49503  1.000 49.25471 ? 118 GLN A CB   1 
ATOM   936  C  CG   . GLN A 1 118 ? 29.57470  21.34781 -8.62157  1.000 58.13310 ? 118 GLN A CG   1 
ATOM   937  C  CD   . GLN A 1 118 ? 30.71093  21.78606 -9.48128  1.000 71.44949 ? 118 GLN A CD   1 
ATOM   938  O  OE1  . GLN A 1 118 ? 30.68607  22.92284 -10.00304 1.000 71.54359 ? 118 GLN A OE1  1 
ATOM   939  N  NE2  . GLN A 1 118 ? 31.64473  20.85869 -9.77576  1.000 76.35058 ? 118 GLN A NE2  1 
ATOM   940  N  N    . VAL A 1 119 ? 26.23173  21.05199 -11.47651 1.000 46.04454 ? 119 VAL A N    1 
ATOM   941  C  CA   . VAL A 1 119 ? 25.41858  20.52970 -12.55723 1.000 43.15136 ? 119 VAL A CA   1 
ATOM   942  C  C    . VAL A 1 119 ? 26.32439  20.41029 -13.76864 1.000 42.78874 ? 119 VAL A C    1 
ATOM   943  O  O    . VAL A 1 119 ? 26.91891  21.40845 -14.20851 1.000 43.98869 ? 119 VAL A O    1 
ATOM   944  C  CB   . VAL A 1 119 ? 24.21793  21.44310 -12.85036 1.000 44.69082 ? 119 VAL A CB   1 
ATOM   945  C  CG1  . VAL A 1 119 ? 23.47540  20.97311 -14.10193 1.000 42.52465 ? 119 VAL A CG1  1 
ATOM   946  C  CG2  . VAL A 1 119 ? 23.30231  21.49292 -11.65170 1.000 41.46949 ? 119 VAL A CG2  1 
ATOM   947  N  N    . THR A 1 120 ? 26.43197  19.20251 -14.31303 1.000 44.09509 ? 120 THR A N    1 
ATOM   948  C  CA   . THR A 1 120 ? 27.25490  19.00179 -15.49118 1.000 45.96642 ? 120 THR A CA   1 
ATOM   949  C  C    . THR A 1 120 ? 26.41325  18.61806 -16.70890 1.000 44.23792 ? 120 THR A C    1 
ATOM   950  O  O    . THR A 1 120 ? 25.39752  17.91355 -16.60974 1.000 42.31610 ? 120 THR A O    1 
ATOM   951  C  CB   . THR A 1 120 ? 28.30898  17.92581 -15.24121 1.000 49.01111 ? 120 THR A CB   1 
ATOM   952  O  OG1  . THR A 1 120 ? 27.65900  16.69228 -14.94687 1.000 50.81278 ? 120 THR A OG1  1 
ATOM   953  C  CG2  . THR A 1 120 ? 29.14261  18.30785 -14.01751 1.000 46.17108 ? 120 THR A CG2  1 
ATOM   954  N  N    . ASN A 1 121 ? 26.87971  19.08794 -17.87144 1.000 45.49813 ? 121 ASN A N    1 
ATOM   955  C  CA   . ASN A 1 121 ? 26.38350  18.68932 -19.18832 1.000 45.35643 ? 121 ASN A CA   1 
ATOM   956  C  C    . ASN A 1 121 ? 26.66496  17.20388 -19.39035 1.000 44.88665 ? 121 ASN A C    1 
ATOM   957  O  O    . ASN A 1 121 ? 27.79719  16.80798 -19.68919 1.000 44.77961 ? 121 ASN A O    1 
ATOM   958  C  CB   . ASN A 1 121 ? 27.03101  19.57149 -20.24540 1.000 41.67471 ? 121 ASN A CB   1 
ATOM   959  C  CG   . ASN A 1 121 ? 26.54439  19.30248 -21.68134 1.000 47.17620 ? 121 ASN A CG   1 
ATOM   960  O  OD1  . ASN A 1 121 ? 27.01440  19.98025 -22.57262 1.000 46.73329 ? 121 ASN A OD1  1 
ATOM   961  N  ND2  . ASN A 1 121 ? 25.68152  18.29967 -21.90993 1.000 42.86026 ? 121 ASN A ND2  1 
ATOM   962  N  N    . TYR A 1 122 ? 25.63446  16.37904 -19.18582 1.000 41.14392 ? 122 TYR A N    1 
ATOM   963  C  CA   . TYR A 1 122 ? 25.76513  14.92315 -19.18791 1.000 44.77952 ? 122 TYR A CA   1 
ATOM   964  C  C    . TYR A 1 122 ? 25.69644  14.34931 -20.60621 1.000 45.95524 ? 122 TYR A C    1 
ATOM   965  O  O    . TYR A 1 122 ? 26.42151  13.40287 -20.94398 1.000 44.94846 ? 122 TYR A O    1 
ATOM   966  C  CB   . TYR A 1 122 ? 24.64363  14.34641 -18.33695 1.000 42.20452 ? 122 TYR A CB   1 
ATOM   967  C  CG   . TYR A 1 122 ? 24.76395  12.91259 -17.94970 1.000 44.96440 ? 122 TYR A CG   1 
ATOM   968  C  CD1  . TYR A 1 122 ? 25.63958  12.52054 -16.95194 1.000 44.33789 ? 122 TYR A CD1  1 
ATOM   969  C  CD2  . TYR A 1 122 ? 23.97050  11.94710 -18.54833 1.000 44.93047 ? 122 TYR A CD2  1 
ATOM   970  C  CE1  . TYR A 1 122 ? 25.73610  11.19842 -16.56072 1.000 46.87438 ? 122 TYR A CE1  1 
ATOM   971  C  CE2  . TYR A 1 122 ? 24.06531  10.60710 -18.17124 1.000 46.59183 ? 122 TYR A CE2  1 
ATOM   972  C  CZ   . TYR A 1 122 ? 24.94706  10.24613 -17.16686 1.000 50.57797 ? 122 TYR A CZ   1 
ATOM   973  O  OH   . TYR A 1 122 ? 25.06141  8.93317  -16.75535 1.000 51.28597 ? 122 TYR A OH   1 
ATOM   974  N  N    . GLY A 1 123 ? 24.83036  14.89716 -21.42528 1.000 43.38253 ? 123 GLY A N    1 
ATOM   975  C  CA   . GLY A 1 123 ? 24.61230  14.41386 -22.79647 1.000 46.76097 ? 123 GLY A CA   1 
ATOM   976  C  C    . GLY A 1 123 ? 23.56045  13.30410 -22.83854 1.000 44.85609 ? 123 GLY A C    1 
ATOM   977  O  O    . GLY A 1 123 ? 22.39414  13.55748 -22.54923 1.000 46.20429 ? 123 GLY A O    1 
ATOM   978  N  N    . PHE A 1 124 ? 23.99674  12.08267 -23.13116 1.000 44.37687 ? 124 PHE A N    1 
ATOM   979  C  CA   . PHE A 1 124 ? 23.05941  10.99800 -23.36628 1.000 46.99813 ? 124 PHE A CA   1 
ATOM   980  C  C    . PHE A 1 124 ? 22.61711  10.37935 -22.05659 1.000 48.98689 ? 124 PHE A C    1 
ATOM   981  O  O    . PHE A 1 124 ? 23.43373  10.10593 -21.16340 1.000 51.07747 ? 124 PHE A O    1 
ATOM   982  C  CB   . PHE A 1 124 ? 23.68886  9.91240  -24.22575 1.000 51.80213 ? 124 PHE A CB   1 
ATOM   983  C  CG   . PHE A 1 124 ? 22.87440  8.65281  -24.29832 1.000 50.55289 ? 124 PHE A CG   1 
ATOM   984  C  CD1  . PHE A 1 124 ? 21.81794  8.55367  -25.20006 1.000 48.91551 ? 124 PHE A CD1  1 
ATOM   985  C  CD2  . PHE A 1 124 ? 23.15144  7.58098  -23.46225 1.000 49.77965 ? 124 PHE A CD2  1 
ATOM   986  C  CE1  . PHE A 1 124 ? 21.06473  7.39052  -25.28232 1.000 49.56778 ? 124 PHE A CE1  1 
ATOM   987  C  CE2  . PHE A 1 124 ? 22.39074  6.41719  -23.50891 1.000 50.57853 ? 124 PHE A CE2  1 
ATOM   988  C  CZ   . PHE A 1 124 ? 21.34134  6.32236  -24.42198 1.000 55.09808 ? 124 PHE A CZ   1 
ATOM   989  N  N    . LEU A 1 125 ? 21.31815  10.12187 -21.96129 1.000 47.29248 ? 125 LEU A N    1 
ATOM   990  C  CA   . LEU A 1 125 ? 20.76941  9.35127  -20.86258 1.000 46.65515 ? 125 LEU A CA   1 
ATOM   991  C  C    . LEU A 1 125 ? 19.69039  8.42774  -21.40688 1.000 48.96217 ? 125 LEU A C    1 
ATOM   992  O  O    . LEU A 1 125 ? 18.83983  8.85463  -22.20081 1.000 46.19453 ? 125 LEU A O    1 
ATOM   993  C  CB   . LEU A 1 125 ? 20.19667  10.27929 -19.79359 1.000 45.51449 ? 125 LEU A CB   1 
ATOM   994  C  CG   . LEU A 1 125 ? 19.39492  9.65293  -18.68086 1.000 46.94420 ? 125 LEU A CG   1 
ATOM   995  C  CD1  . LEU A 1 125 ? 20.35579  8.87021  -17.81663 1.000 44.43811 ? 125 LEU A CD1  1 
ATOM   996  C  CD2  . LEU A 1 125 ? 18.69161  10.78058 -17.93160 1.000 40.67631 ? 125 LEU A CD2  1 
ATOM   997  N  N    . ASN A 1 126 ? 19.77588  7.15635  -21.02493 1.000 48.72060 ? 126 ASN A N    1 
ATOM   998  C  CA   . ASN A 1 126 ? 18.69415  6.19080  -21.18125 1.000 49.62546 ? 126 ASN A CA   1 
ATOM   999  C  C    . ASN A 1 126 ? 17.70055  6.43492  -20.04408 1.000 48.30172 ? 126 ASN A C    1 
ATOM   1000 O  O    . ASN A 1 126 ? 17.81306  5.86495  -18.95863 1.000 52.78188 ? 126 ASN A O    1 
ATOM   1001 C  CB   . ASN A 1 126 ? 19.24142  4.77378  -21.11956 1.000 53.03721 ? 126 ASN A CB   1 
ATOM   1002 C  CG   . ASN A 1 126 ? 18.25248  3.73102  -21.62367 1.000 57.26830 ? 126 ASN A CG   1 
ATOM   1003 O  OD1  . ASN A 1 126 ? 17.03568  3.94005  -21.64981 1.000 56.55060 ? 126 ASN A OD1  1 
ATOM   1004 N  ND2  . ASN A 1 126 ? 18.77641  2.56254  -21.95020 1.000 64.07515 ? 126 ASN A ND2  1 
ATOM   1005 N  N    . LEU A 1 127 ? 16.71542  7.28924  -20.29525 1.000 45.18172 ? 127 LEU A N    1 
ATOM   1006 C  CA   . LEU A 1 127 ? 15.72607  7.67851  -19.30077 1.000 46.42585 ? 127 LEU A CA   1 
ATOM   1007 C  C    . LEU A 1 127 ? 14.55140  6.70756  -19.31552 1.000 49.35539 ? 127 LEU A C    1 
ATOM   1008 O  O    . LEU A 1 127 ? 13.71217  6.74946  -20.22289 1.000 51.82801 ? 127 LEU A O    1 
ATOM   1009 C  CB   . LEU A 1 127 ? 15.26164  9.10008  -19.57531 1.000 44.89118 ? 127 LEU A CB   1 
ATOM   1010 C  CG   . LEU A 1 127 ? 14.22636  9.68156  -18.63681 1.000 46.95681 ? 127 LEU A CG   1 
ATOM   1011 C  CD1  . LEU A 1 127 ? 14.67873  9.49646  -17.18811 1.000 42.16963 ? 127 LEU A CD1  1 
ATOM   1012 C  CD2  . LEU A 1 127 ? 14.00083  11.15978 -19.00051 1.000 39.02051 ? 127 LEU A CD2  1 
ATOM   1013 N  N    . GLY A 1 128 ? 14.46406  5.86814  -18.28585 1.000 55.26698 ? 128 GLY A N    1 
ATOM   1014 C  CA   . GLY A 1 128 ? 13.38820  4.87867  -18.22139 1.000 51.41990 ? 128 GLY A CA   1 
ATOM   1015 C  C    . GLY A 1 128 ? 13.20400  4.14025  -19.52938 1.000 56.59481 ? 128 GLY A C    1 
ATOM   1016 O  O    . GLY A 1 128 ? 12.06704  3.85959  -19.93674 1.000 56.51028 ? 128 GLY A O    1 
ATOM   1017 N  N    . GLY A 1 129 ? 14.30866  3.84749  -20.22205 1.000 56.05547 ? 129 GLY A N    1 
ATOM   1018 C  CA   . GLY A 1 129 ? 14.28385  3.13484  -21.48519 1.000 52.45525 ? 129 GLY A CA   1 
ATOM   1019 C  C    . GLY A 1 129 ? 14.07385  3.97827  -22.72245 1.000 53.33626 ? 129 GLY A C    1 
ATOM   1020 O  O    . GLY A 1 129 ? 13.92498  3.41682  -23.81117 1.000 51.67705 ? 129 GLY A O    1 
ATOM   1021 N  N    . THR A 1 130 ? 14.03460  5.30132  -22.59791 1.000 52.54173 ? 130 THR A N    1 
ATOM   1022 C  CA   . THR A 1 130 ? 13.92440  6.17078  -23.75395 1.000 47.77016 ? 130 THR A CA   1 
ATOM   1023 C  C    . THR A 1 130 ? 15.25244  6.86561  -23.96239 1.000 49.06068 ? 130 THR A C    1 
ATOM   1024 O  O    . THR A 1 130 ? 15.70102  7.59575  -23.06792 1.000 48.86262 ? 130 THR A O    1 
ATOM   1025 C  CB   . THR A 1 130 ? 12.83518  7.21017  -23.57242 1.000 47.29307 ? 130 THR A CB   1 
ATOM   1026 O  OG1  . THR A 1 130 ? 11.59097  6.55139  -23.36759 1.000 46.46328 ? 130 THR A OG1  1 
ATOM   1027 C  CG2  . THR A 1 130 ? 12.74934  8.07807  -24.82362 1.000 45.89525 ? 130 THR A CG2  1 
ATOM   1028 N  N    . PRO A 1 131 ? 15.91697  6.69544  -25.09566 1.000 48.03342 ? 131 PRO A N    1 
ATOM   1029 C  CA   . PRO A 1 131 ? 17.13349  7.46939  -25.33002 1.000 44.95186 ? 131 PRO A CA   1 
ATOM   1030 C  C    . PRO A 1 131 ? 16.79094  8.94905  -25.29822 1.000 43.25308 ? 131 PRO A C    1 
ATOM   1031 O  O    . PRO A 1 131 ? 15.76066  9.37911  -25.82827 1.000 44.66388 ? 131 PRO A O    1 
ATOM   1032 C  CB   . PRO A 1 131 ? 17.58208  7.01048  -26.72744 1.000 45.48945 ? 131 PRO A CB   1 
ATOM   1033 C  CG   . PRO A 1 131 ? 16.92419  5.67283  -26.90303 1.000 48.07508 ? 131 PRO A CG   1 
ATOM   1034 C  CD   . PRO A 1 131 ? 15.61885  5.78162  -26.21126 1.000 49.41587 ? 131 PRO A CD   1 
ATOM   1035 N  N    . THR A 1 132 ? 17.65734  9.73427  -24.66362 1.000 40.46192 ? 132 THR A N    1 
ATOM   1036 C  CA   . THR A 1 132 ? 17.39389  11.15344 -24.47232 1.000 38.87055 ? 132 THR A CA   1 
ATOM   1037 C  C    . THR A 1 132 ? 18.70312  11.90878 -24.58962 1.000 38.77354 ? 132 THR A C    1 
ATOM   1038 O  O    . THR A 1 132 ? 19.76854  11.37055 -24.29035 1.000 43.32583 ? 132 THR A O    1 
ATOM   1039 C  CB   . THR A 1 132 ? 16.68340  11.39134 -23.10261 1.000 42.50559 ? 132 THR A CB   1 
ATOM   1040 O  OG1  . THR A 1 132 ? 15.55133  10.50694 -23.02395 1.000 40.64469 ? 132 THR A OG1  1 
ATOM   1041 C  CG2  . THR A 1 132 ? 16.20565  12.83402 -22.95214 1.000 38.69985 ? 132 THR A CG2  1 
ATOM   1042 N  N    . HIS A 1 133 ? 18.62293  13.15989 -25.02965 1.000 36.83127 ? 133 HIS A N    1 
ATOM   1043 C  CA   . HIS A 1 133 ? 19.81885  13.94744 -25.28089 1.000 41.13079 ? 133 HIS A CA   1 
ATOM   1044 C  C    . HIS A 1 133 ? 19.75060  15.26691 -24.55359 1.000 39.55894 ? 133 HIS A C    1 
ATOM   1045 O  O    . HIS A 1 133 ? 18.67300  15.74059 -24.18584 1.000 39.70449 ? 133 HIS A O    1 
ATOM   1046 C  CB   . HIS A 1 133 ? 20.00639  14.25686 -26.79121 1.000 40.94160 ? 133 HIS A CB   1 
ATOM   1047 C  CG   . HIS A 1 133 ? 20.48303  13.08623 -27.58003 1.000 41.65868 ? 133 HIS A CG   1 
ATOM   1048 N  ND1  . HIS A 1 133 ? 20.51903  13.08344 -28.96070 1.000 43.30521 ? 133 HIS A ND1  1 
ATOM   1049 C  CD2  . HIS A 1 133 ? 20.95786  11.87693 -27.18432 1.000 43.61219 ? 133 HIS A CD2  1 
ATOM   1050 C  CE1  . HIS A 1 133 ? 20.97242  11.91459 -29.37996 1.000 40.91635 ? 133 HIS A CE1  1 
ATOM   1051 N  NE2  . HIS A 1 133 ? 21.25981  11.16871 -28.33003 1.000 45.75992 ? 133 HIS A NE2  1 
ATOM   1052 N  N    . ARG A 1 134 ? 20.91075  15.91191 -24.44335 1.000 36.29620 ? 134 ARG A N    1 
ATOM   1053 C  CA   . ARG A 1 134 ? 20.93980  17.26010 -23.91664 1.000 37.94253 ? 134 ARG A CA   1 
ATOM   1054 C  C    . ARG A 1 134 ? 20.58658  17.28103 -22.42693 1.000 38.00072 ? 134 ARG A C    1 
ATOM   1055 O  O    . ARG A 1 134 ? 19.83366  18.14196 -21.97413 1.000 39.05099 ? 134 ARG A O    1 
ATOM   1056 C  CB   . ARG A 1 134 ? 19.99338  18.15439 -24.69547 1.000 39.34216 ? 134 ARG A CB   1 
ATOM   1057 C  CG   . ARG A 1 134 ? 20.69795  19.33954 -25.26447 1.000 47.50534 ? 134 ARG A CG   1 
ATOM   1058 C  CD   . ARG A 1 134 ? 19.87982  20.03314 -26.26293 1.000 45.25113 ? 134 ARG A CD   1 
ATOM   1059 N  NE   . ARG A 1 134 ? 20.02860  19.52544 -27.61483 1.000 45.26727 ? 134 ARG A NE   1 
ATOM   1060 C  CZ   . ARG A 1 134 ? 19.35721  20.03102 -28.63791 1.000 43.52760 ? 134 ARG A CZ   1 
ATOM   1061 N  NH1  . ARG A 1 134 ? 18.46301  21.00066 -28.46526 1.000 40.75393 ? 134 ARG A NH1  1 
ATOM   1062 N  NH2  . ARG A 1 134 ? 19.62245  19.59755 -29.86538 1.000 46.99848 ? 134 ARG A NH2  1 
ATOM   1063 N  N    . ILE A 1 135 ? 21.08702  16.32589 -21.69113 1.000 36.37258 ? 135 ILE A N    1 
ATOM   1064 C  CA   . ILE A 1 135 ? 20.70813  16.14643 -20.28469 1.000 38.60862 ? 135 ILE A CA   1 
ATOM   1065 C  C    . ILE A 1 135 ? 21.73135  16.79196 -19.36427 1.000 40.25894 ? 135 ILE A C    1 
ATOM   1066 O  O    . ILE A 1 135 ? 22.94928  16.68449 -19.59008 1.000 39.42345 ? 135 ILE A O    1 
ATOM   1067 C  CB   . ILE A 1 135 ? 20.53595  14.65715 -19.93521 1.000 37.65667 ? 135 ILE A CB   1 
ATOM   1068 C  CG1  . ILE A 1 135 ? 19.28893  14.10654 -20.61232 1.000 39.89167 ? 135 ILE A CG1  1 
ATOM   1069 C  CG2  . ILE A 1 135 ? 20.41737  14.47104 -18.37514 1.000 39.47898 ? 135 ILE A CG2  1 
ATOM   1070 C  CD1  . ILE A 1 135 ? 18.01162  14.78691 -20.15775 1.000 41.09969 ? 135 ILE A CD1  1 
ATOM   1071 N  N    . LEU A 1 136 ? 21.23304  17.44082 -18.29853 1.000 40.91628 ? 136 LEU A N    1 
ATOM   1072 C  CA   . LEU A 1 136 ? 22.05990  17.96086 -17.21340 1.000 44.09762 ? 136 LEU A CA   1 
ATOM   1073 C  C    . LEU A 1 136 ? 22.03388  17.00998 -16.02226 1.000 39.90718 ? 136 LEU A C    1 
ATOM   1074 O  O    . LEU A 1 136 ? 20.97616  16.50199 -15.64025 1.000 39.09093 ? 136 LEU A O    1 
ATOM   1075 C  CB   . LEU A 1 136 ? 21.58067  19.34711 -16.75843 1.000 40.06262 ? 136 LEU A CB   1 
ATOM   1076 C  CG   . LEU A 1 136 ? 21.72569  20.40628 -17.83382 1.000 42.13801 ? 136 LEU A CG   1 
ATOM   1077 C  CD1  . LEU A 1 136 ? 20.84992  21.59342 -17.52848 1.000 41.52802 ? 136 LEU A CD1  1 
ATOM   1078 C  CD2  . LEU A 1 136 ? 23.17289  20.82971 -18.01311 1.000 42.22609 ? 136 LEU A CD2  1 
ATOM   1079 N  N    . MET A 1 137 ? 23.20795  16.76558 -15.43826 1.000 41.09114 ? 137 MET A N    1 
ATOM   1080 C  CA   . MET A 1 137 ? 23.35130  15.89532 -14.28001 1.000 40.94515 ? 137 MET A CA   1 
ATOM   1081 C  C    . MET A 1 137 ? 23.75786  16.65038 -13.01712 1.000 42.37219 ? 137 MET A C    1 
ATOM   1082 O  O    . MET A 1 137 ? 24.54607  17.59984 -13.07071 1.000 44.75769 ? 137 MET A O    1 
ATOM   1083 C  CB   . MET A 1 137 ? 24.36984  14.78049 -14.54654 1.000 42.07971 ? 137 MET A CB   1 
ATOM   1084 C  CG   . MET A 1 137 ? 24.21385  13.66761 -13.52594 1.000 44.95249 ? 137 MET A CG   1 
ATOM   1085 S  SD   . MET A 1 137 ? 25.48414  13.90663 -12.22960 1.000 49.71345 ? 137 MET A SD   1 
ATOM   1086 C  CE   . MET A 1 137 ? 26.99920  13.87740 -13.18118 1.000 51.52308 ? 137 MET A CE   1 
ATOM   1087 N  N    . TYR A 1 138 ? 23.19337  16.22223 -11.88445 1.000 43.28240 ? 138 TYR A N    1 
ATOM   1088 C  CA   . TYR A 1 138 ? 23.63160  16.59035 -10.53796 1.000 40.98675 ? 138 TYR A CA   1 
ATOM   1089 C  C    . TYR A 1 138 ? 23.66994  15.36788 -9.65081  1.000 41.94733 ? 138 TYR A C    1 
ATOM   1090 O  O    . TYR A 1 138 ? 22.81995  14.47857 -9.75008  1.000 40.93909 ? 138 TYR A O    1 
ATOM   1091 C  CB   . TYR A 1 138 ? 22.79314  17.76385 -9.95381  1.000 41.18641 ? 138 TYR A CB   1 
ATOM   1092 C  CG   . TYR A 1 138 ? 21.33726  17.81395 -10.41197 1.000 43.93145 ? 138 TYR A CG   1 
ATOM   1093 C  CD1  . TYR A 1 138 ? 20.30871  17.08568 -9.80834  1.000 40.48391 ? 138 TYR A CD1  1 
ATOM   1094 C  CD2  . TYR A 1 138 ? 21.03806  18.51123 -11.61576 1.000 40.93117 ? 138 TYR A CD2  1 
ATOM   1095 C  CE1  . TYR A 1 138 ? 18.95930  17.17095 -10.31558 1.000 41.43296 ? 138 TYR A CE1  1 
ATOM   1096 C  CE2  . TYR A 1 138 ? 19.72864  18.57837 -12.13588 1.000 40.98087 ? 138 TYR A CE2  1 
ATOM   1097 C  CZ   . TYR A 1 138 ? 18.69448  17.89589 -11.50550 1.000 43.12567 ? 138 TYR A CZ   1 
ATOM   1098 O  OH   . TYR A 1 138 ? 17.40460  17.99705 -12.06110 1.000 40.10478 ? 138 TYR A OH   1 
ATOM   1099 N  N    . ASN A 1 139 ? 24.72654  15.29690 -8.84279  1.000 45.35507 ? 139 ASN A N    1 
ATOM   1100 C  CA   . ASN A 1 139 ? 24.87960  14.23982 -7.84548  1.000 49.98339 ? 139 ASN A CA   1 
ATOM   1101 C  C    . ASN A 1 139 ? 24.03944  14.59306 -6.63924  1.000 47.23283 ? 139 ASN A C    1 
ATOM   1102 O  O    . ASN A 1 139 ? 24.50408  15.21282 -5.68776  1.000 53.38287 ? 139 ASN A O    1 
ATOM   1103 C  CB   . ASN A 1 139 ? 26.34388  14.04513 -7.48122  1.000 48.30255 ? 139 ASN A CB   1 
ATOM   1104 C  CG   . ASN A 1 139 ? 27.08311  13.30119 -8.55572  1.000 56.24389 ? 139 ASN A CG   1 
ATOM   1105 O  OD1  . ASN A 1 139 ? 26.89342  12.07942 -8.70997  1.000 59.01810 ? 139 ASN A OD1  1 
ATOM   1106 N  ND2  . ASN A 1 139 ? 27.88398  14.02641 -9.35981  1.000 52.69763 ? 139 ASN A ND2  1 
ATOM   1107 N  N    . PHE A 1 140 ? 22.76500  14.21570 -6.69659  1.000 46.17595 ? 140 PHE A N    1 
ATOM   1108 C  CA   . PHE A 1 140 ? 21.87351  14.47965 -5.58536  1.000 43.87828 ? 140 PHE A CA   1 
ATOM   1109 C  C    . PHE A 1 140 ? 20.72749  13.49388 -5.64977  1.000 46.00016 ? 140 PHE A C    1 
ATOM   1110 O  O    . PHE A 1 140 ? 20.20251  13.23388 -6.74575  1.000 44.66631 ? 140 PHE A O    1 
ATOM   1111 C  CB   . PHE A 1 140 ? 21.33265  15.91555 -5.57913  1.000 43.25598 ? 140 PHE A CB   1 
ATOM   1112 C  CG   . PHE A 1 140 ? 20.68646  16.29835 -4.26415  1.000 47.17668 ? 140 PHE A CG   1 
ATOM   1113 C  CD1  . PHE A 1 140 ? 21.44300  16.82291 -3.23752  1.000 46.53800 ? 140 PHE A CD1  1 
ATOM   1114 C  CD2  . PHE A 1 140 ? 19.32326  16.08823 -4.04907  1.000 43.03054 ? 140 PHE A CD2  1 
ATOM   1115 C  CE1  . PHE A 1 140 ? 20.84762  17.14603 -2.01252  1.000 50.14698 ? 140 PHE A CE1  1 
ATOM   1116 C  CE2  . PHE A 1 140 ? 18.72524  16.40533 -2.83750  1.000 45.58911 ? 140 PHE A CE2  1 
ATOM   1117 C  CZ   . PHE A 1 140 ? 19.47768  16.93548 -1.82146  1.000 44.49034 ? 140 PHE A CZ   1 
ATOM   1118 N  N    . PRO A 1 141 ? 20.33552  12.92276 -4.53677  1.000 44.11673 ? 141 PRO A N    1 
ATOM   1119 C  CA   . PRO A 1 141 ? 19.22223  11.97127 -4.54271  1.000 41.16281 ? 141 PRO A CA   1 
ATOM   1120 C  C    . PRO A 1 141 ? 17.87200  12.65919 -4.68765  1.000 44.90624 ? 141 PRO A C    1 
ATOM   1121 O  O    . PRO A 1 141 ? 17.12447  12.77013 -3.71428  1.000 37.82540 ? 141 PRO A O    1 
ATOM   1122 C  CB   . PRO A 1 141 ? 19.36966  11.27262 -3.18838  1.000 44.85496 ? 141 PRO A CB   1 
ATOM   1123 C  CG   . PRO A 1 141 ? 20.01450  12.29268 -2.35507  1.000 43.47898 ? 141 PRO A CG   1 
ATOM   1124 C  CD   . PRO A 1 141 ? 20.98249  13.00806 -3.22439  1.000 42.35278 ? 141 PRO A CD   1 
ATOM   1125 N  N    . THR A 1 142 ? 17.53674  13.10973 -5.90150  1.000 37.61272 ? 142 THR A N    1 
ATOM   1126 C  CA   . THR A 1 142 ? 16.20968  13.64371 -6.14761  1.000 33.08537 ? 142 THR A CA   1 
ATOM   1127 C  C    . THR A 1 142 ? 15.22189  12.49527 -6.03169  1.000 34.74431 ? 142 THR A C    1 
ATOM   1128 O  O    . THR A 1 142 ? 15.61419  11.31341 -6.04692  1.000 34.55591 ? 142 THR A O    1 
ATOM   1129 C  CB   . THR A 1 142 ? 16.15717  14.27100 -7.55121  1.000 38.30436 ? 142 THR A CB   1 
ATOM   1130 O  OG1  . THR A 1 142 ? 16.68091  13.29834 -8.43857  1.000 36.34599 ? 142 THR A OG1  1 
ATOM   1131 C  CG2  . THR A 1 142 ? 17.03882  15.54492 -7.67803  1.000 36.63566 ? 142 THR A CG2  1 
ATOM   1132 N  N    . ARG A 1 143 ? 13.93259  12.82880 -5.93121  1.000 34.87629 ? 143 ARG A N    1 
ATOM   1133 C  CA   . ARG A 1 143 ? 12.92866  11.81448 -5.62006  1.000 39.10801 ? 143 ARG A CA   1 
ATOM   1134 C  C    . ARG A 1 143 ? 11.66880  11.95116 -6.47650  1.000 38.82997 ? 143 ARG A C    1 
ATOM   1135 O  O    . ARG A 1 143 ? 11.39134  12.99779 -7.07820  1.000 39.72231 ? 143 ARG A O    1 
ATOM   1136 C  CB   . ARG A 1 143 ? 12.47993  11.88264 -4.12843  1.000 40.12059 ? 143 ARG A CB   1 
ATOM   1137 C  CG   . ARG A 1 143 ? 13.60139  11.91999 -3.10832  1.000 35.93766 ? 143 ARG A CG   1 
ATOM   1138 C  CD   . ARG A 1 143 ? 14.24630  10.55909 -2.97749  1.000 40.95582 ? 143 ARG A CD   1 
ATOM   1139 N  NE   . ARG A 1 143 ? 15.27238  10.52926 -1.93857  1.000 43.45431 ? 143 ARG A NE   1 
ATOM   1140 C  CZ   . ARG A 1 143 ? 16.23646  9.62013  -1.89715  1.000 48.04940 ? 143 ARG A CZ   1 
ATOM   1141 N  NH1  . ARG A 1 143 ? 16.35890  8.69950  -2.84809  1.000 44.96656 ? 143 ARG A NH1  1 
ATOM   1142 N  NH2  . ARG A 1 143 ? 17.10743  9.63837  -0.89008  1.000 43.94128 ? 143 ARG A NH2  1 
ATOM   1143 N  N    . ALA A 1 144 ? 10.86685  10.87784 -6.46121  1.000 40.28246 ? 144 ALA A N    1 
ATOM   1144 C  CA   . ALA A 1 144 ? 9.53209   10.89265 -7.03965  1.000 42.55802 ? 144 ALA A CA   1 
ATOM   1145 C  C    . ALA A 1 144 ? 8.79570   12.17796 -6.68715  1.000 43.53261 ? 144 ALA A C    1 
ATOM   1146 O  O    . ALA A 1 144 ? 8.88754   12.68984 -5.55754  1.000 43.18076 ? 144 ALA A O    1 
ATOM   1147 C  CB   . ALA A 1 144 ? 8.72466   9.68421  -6.55618  1.000 41.86295 ? 144 ALA A CB   1 
ATOM   1148 N  N    . GLY A 1 145 ? 8.04496   12.68454 -7.66421  1.000 40.65158 ? 145 GLY A N    1 
ATOM   1149 C  CA   . GLY A 1 145 ? 7.20066   13.83595 -7.47313  1.000 38.76350 ? 145 GLY A CA   1 
ATOM   1150 C  C    . GLY A 1 145 ? 7.87462   15.14655 -7.75141  1.000 36.92392 ? 145 GLY A C    1 
ATOM   1151 O  O    . GLY A 1 145 ? 7.20283   16.18652 -7.71630  1.000 40.66613 ? 145 GLY A O    1 
ATOM   1152 N  N    . GLN A 1 146 ? 9.17728   15.13911 -8.02745  1.000 32.91680 ? 146 GLN A N    1 
ATOM   1153 C  CA   . GLN A 1 146 ? 9.93301   16.35565 -8.32064  1.000 32.86559 ? 146 GLN A CA   1 
ATOM   1154 C  C    . GLN A 1 146 ? 10.09632  16.62515 -9.81988  1.000 33.55607 ? 146 GLN A C    1 
ATOM   1155 O  O    . GLN A 1 146 ? 10.70524  17.63107 -10.18380 1.000 35.02360 ? 146 GLN A O    1 
ATOM   1156 C  CB   . GLN A 1 146 ? 11.30781  16.27649 -7.66576  1.000 30.87381 ? 146 GLN A CB   1 
ATOM   1157 C  CG   . GLN A 1 146 ? 11.19941  15.90322 -6.11711  1.000 36.32008 ? 146 GLN A CG   1 
ATOM   1158 C  CD   . GLN A 1 146 ? 12.54283  16.00123 -5.36295  1.000 39.92879 ? 146 GLN A CD   1 
ATOM   1159 O  OE1  . GLN A 1 146 ? 13.58795  15.59062 -5.90455  1.000 35.85735 ? 146 GLN A OE1  1 
ATOM   1160 N  NE2  . GLN A 1 146 ? 12.47618  16.27446 -4.04980  1.000 40.49874 ? 146 GLN A NE2  1 
ATOM   1161 N  N    . CYS A 1 147 ? 9.56727   15.78975 -10.68893 1.000 35.25570 ? 147 CYS A N    1 
ATOM   1162 C  CA   . CYS A 1 147 ? 9.73590   16.07931 -12.12535 1.000 35.31440 ? 147 CYS A CA   1 
ATOM   1163 C  C    . CYS A 1 147 ? 8.98501   17.35110 -12.53401 1.000 37.64318 ? 147 CYS A C    1 
ATOM   1164 O  O    . CYS A 1 147 ? 7.90774   17.67187 -12.01322 1.000 36.11945 ? 147 CYS A O    1 
ATOM   1165 C  CB   . CYS A 1 147 ? 9.31431   14.88039 -12.96840 1.000 33.55320 ? 147 CYS A CB   1 
ATOM   1166 S  SG   . CYS A 1 147 ? 10.48906  13.50437 -12.80196 1.000 40.09268 ? 147 CYS A SG   1 
ATOM   1167 N  N    . GLY A 1 148 ? 9.58028   18.09186 -13.48387 1.000 42.38780 ? 148 GLY A N    1 
ATOM   1168 C  CA   . GLY A 1 148 ? 9.17986   19.46634 -13.76170 1.000 40.39713 ? 148 GLY A CA   1 
ATOM   1169 C  C    . GLY A 1 148 ? 9.81798   20.51395 -12.86516 1.000 39.40894 ? 148 GLY A C    1 
ATOM   1170 O  O    . GLY A 1 148 ? 9.75888   21.72345 -13.18991 1.000 34.31249 ? 148 GLY A O    1 
ATOM   1171 N  N    . GLY A 1 149 ? 10.37478  20.11447 -11.72281 1.000 39.00684 ? 149 GLY A N    1 
ATOM   1172 C  CA   . GLY A 1 149 ? 11.11163  21.05738 -10.90364 1.000 34.25914 ? 149 GLY A CA   1 
ATOM   1173 C  C    . GLY A 1 149 ? 12.10368  21.91000 -11.67413 1.000 36.05092 ? 149 GLY A C    1 
ATOM   1174 O  O    . GLY A 1 149 ? 12.76325  21.42874 -12.61107 1.000 41.76991 ? 149 GLY A O    1 
ATOM   1175 N  N    . VAL A 1 150 ? 12.18453  23.19358 -11.31243 1.000 36.30029 ? 150 VAL A N    1 
ATOM   1176 C  CA   . VAL A 1 150 ? 12.96232  24.18648 -12.04959 1.000 34.55035 ? 150 VAL A CA   1 
ATOM   1177 C  C    . VAL A 1 150 ? 14.37121  24.18802 -11.49303 1.000 39.85917 ? 150 VAL A C    1 
ATOM   1178 O  O    . VAL A 1 150 ? 14.55571  24.27681 -10.26727 1.000 37.38749 ? 150 VAL A O    1 
ATOM   1179 C  CB   . VAL A 1 150 ? 12.33618  25.58214 -11.91361 1.000 39.09429 ? 150 VAL A CB   1 
ATOM   1180 C  CG1  . VAL A 1 150 ? 13.01909  26.56952 -12.86878 1.000 41.10656 ? 150 VAL A CG1  1 
ATOM   1181 C  CG2  . VAL A 1 150 ? 10.84128  25.51144 -12.19321 1.000 36.03043 ? 150 VAL A CG2  1 
ATOM   1182 N  N    . VAL A 1 151 ? 15.36543  24.09708 -12.37955 1.000 35.53336 ? 151 VAL A N    1 
ATOM   1183 C  CA   . VAL A 1 151 ? 16.77380  24.13126 -11.98528 1.000 36.48970 ? 151 VAL A CA   1 
ATOM   1184 C  C    . VAL A 1 151 ? 17.32211  25.48470 -12.39069 1.000 40.48754 ? 151 VAL A C    1 
ATOM   1185 O  O    . VAL A 1 151 ? 17.31412  25.83987 -13.58535 1.000 37.86119 ? 151 VAL A O    1 
ATOM   1186 C  CB   . VAL A 1 151 ? 17.58050  22.99576 -12.62870 1.000 36.93687 ? 151 VAL A CB   1 
ATOM   1187 C  CG1  . VAL A 1 151 ? 19.02365  23.00160 -12.11050 1.000 34.61226 ? 151 VAL A CG1  1 
ATOM   1188 C  CG2  . VAL A 1 151 ? 16.92341  21.68866 -12.32961 1.000 34.76758 ? 151 VAL A CG2  1 
ATOM   1189 N  N    . THR A 1 152 ? 17.78552  26.23644 -11.39678 1.000 35.41906 ? 152 THR A N    1 
ATOM   1190 C  CA   . THR A 1 152 ? 18.33844  27.57416 -11.57300 1.000 37.63244 ? 152 THR A CA   1 
ATOM   1191 C  C    . THR A 1 152 ? 19.72817  27.65833 -10.95231 1.000 40.23430 ? 152 THR A C    1 
ATOM   1192 O  O    . THR A 1 152 ? 20.09500  26.87314 -10.07637 1.000 42.43709 ? 152 THR A O    1 
ATOM   1193 C  CB   . THR A 1 152 ? 17.46684  28.66680 -10.93200 1.000 38.18803 ? 152 THR A CB   1 
ATOM   1194 O  OG1  . THR A 1 152 ? 17.33350  28.41345 -9.50818  1.000 39.08472 ? 152 THR A OG1  1 
ATOM   1195 C  CG2  . THR A 1 152 ? 16.10795  28.69298 -11.54834 1.000 32.61612 ? 152 THR A CG2  1 
ATOM   1196 N  N    . THR A 1 153 ? 20.51531  28.58225 -11.48117 1.000 42.03818 ? 153 THR A N    1 
ATOM   1197 C  CA   . THR A 1 153 ? 21.57265  29.29596 -10.79472 1.000 42.04739 ? 153 THR A CA   1 
ATOM   1198 C  C    . THR A 1 153 ? 21.11352  30.74244 -10.73569 1.000 51.03898 ? 153 THR A C    1 
ATOM   1199 O  O    . THR A 1 153 ? 20.08459  31.09271 -11.33237 1.000 52.81208 ? 153 THR A O    1 
ATOM   1200 C  CB   . THR A 1 153 ? 22.89222  29.18765 -11.53754 1.000 42.33388 ? 153 THR A CB   1 
ATOM   1201 O  OG1  . THR A 1 153 ? 22.66532  29.64095 -12.88755 1.000 45.86132 ? 153 THR A OG1  1 
ATOM   1202 C  CG2  . THR A 1 153 ? 23.37990  27.73362 -11.52330 1.000 39.99079 ? 153 THR A CG2  1 
ATOM   1203 N  N    . THR A 1 154 ? 21.86073  31.60731 -10.05157 1.000 48.22325 ? 154 THR A N    1 
ATOM   1204 C  CA   . THR A 1 154 ? 21.47001  33.01484 -10.09931 1.000 51.33851 ? 154 THR A CA   1 
ATOM   1205 C  C    . THR A 1 154 ? 21.48204  33.53168 -11.54310 1.000 53.00211 ? 154 THR A C    1 
ATOM   1206 O  O    . THR A 1 154 ? 22.45039  33.34600 -12.29915 1.000 51.90745 ? 154 THR A O    1 
ATOM   1207 C  CB   . THR A 1 154 ? 22.37061  33.88698 -9.22889  1.000 54.68786 ? 154 THR A CB   1 
ATOM   1208 O  OG1  . THR A 1 154 ? 22.60070  33.23270 -7.98137  1.000 54.27648 ? 154 THR A OG1  1 
ATOM   1209 C  CG2  . THR A 1 154 ? 21.67894  35.24690 -8.96932  1.000 55.95023 ? 154 THR A CG2  1 
ATOM   1210 N  N    . GLY A 1 155 ? 20.39631  34.20486 -11.91495 1.000 52.86452 ? 155 GLY A N    1 
ATOM   1211 C  CA   . GLY A 1 155 ? 20.29785  34.80373 -13.20872 1.000 49.13352 ? 155 GLY A CA   1 
ATOM   1212 C  C    . GLY A 1 155 ? 20.01313  33.85985 -14.33775 1.000 44.67384 ? 155 GLY A C    1 
ATOM   1213 O  O    . GLY A 1 155 ? 19.78944  34.34132 -15.44582 1.000 53.49901 ? 155 GLY A O    1 
ATOM   1214 N  N    . LYS A 1 156 ? 20.02645  32.53179 -14.13341 1.000 42.11370 ? 156 LYS A N    1 
ATOM   1215 C  CA   . LYS A 1 156 ? 19.71169  31.65727 -15.25756 1.000 45.00746 ? 156 LYS A CA   1 
ATOM   1216 C  C    . LYS A 1 156 ? 18.76348  30.53483 -14.85322 1.000 44.35260 ? 156 LYS A C    1 
ATOM   1217 O  O    . LYS A 1 156 ? 18.94405  29.89823 -13.81571 1.000 41.80615 ? 156 LYS A O    1 
ATOM   1218 C  CB   . LYS A 1 156 ? 20.98720  31.05200 -15.89187 1.000 46.22815 ? 156 LYS A CB   1 
ATOM   1219 C  CG   . LYS A 1 156 ? 22.04494  32.08260 -16.40518 1.000 44.89416 ? 156 LYS A CG   1 
ATOM   1220 C  CD   . LYS A 1 156 ? 21.82767  32.50483 -17.85661 1.000 52.82930 ? 156 LYS A CD   1 
ATOM   1221 C  CE   . LYS A 1 156 ? 23.07455  33.12073 -18.50705 1.000 55.11241 ? 156 LYS A CE   1 
ATOM   1222 N  NZ   . LYS A 1 156 ? 24.28241  32.18677 -18.64055 1.000 59.88757 ? 156 LYS A NZ   1 
ATOM   1223 N  N    . VAL A 1 157 ? 17.75114  30.30156 -15.68791 1.000 40.50773 ? 157 VAL A N    1 
ATOM   1224 C  CA   . VAL A 1 157 ? 16.88448  29.12308 -15.61495 1.000 37.58888 ? 157 VAL A CA   1 
ATOM   1225 C  C    . VAL A 1 157 ? 17.43489  28.10310 -16.60914 1.000 43.61560 ? 157 VAL A C    1 
ATOM   1226 O  O    . VAL A 1 157 ? 17.33458  28.29879 -17.82802 1.000 40.28110 ? 157 VAL A O    1 
ATOM   1227 C  CB   . VAL A 1 157 ? 15.43325  29.47678 -15.96803 1.000 38.29171 ? 157 VAL A CB   1 
ATOM   1228 C  CG1  . VAL A 1 157 ? 14.50585  28.26282 -15.84907 1.000 36.41409 ? 157 VAL A CG1  1 
ATOM   1229 C  CG2  . VAL A 1 157 ? 14.95907  30.64899 -15.18371 1.000 41.16362 ? 157 VAL A CG2  1 
ATOM   1230 N  N    . ILE A 1 158 ? 18.00525  27.00450 -16.12028 1.000 39.11260 ? 158 ILE A N    1 
ATOM   1231 C  CA   . ILE A 1 158 ? 18.83360  26.14491 -16.95742 1.000 37.97440 ? 158 ILE A CA   1 
ATOM   1232 C  C    . ILE A 1 158 ? 18.15652  24.85314 -17.35875 1.000 41.52122 ? 158 ILE A C    1 
ATOM   1233 O  O    . ILE A 1 158 ? 18.65654  24.17765 -18.27480 1.000 42.39234 ? 158 ILE A O    1 
ATOM   1234 C  CB   . ILE A 1 158 ? 20.19452  25.84253 -16.28762 1.000 41.72235 ? 158 ILE A CB   1 
ATOM   1235 C  CG1  . ILE A 1 158 ? 20.02744  24.91893 -15.06845 1.000 39.93507 ? 158 ILE A CG1  1 
ATOM   1236 C  CG2  . ILE A 1 158 ? 20.89059  27.13837 -15.88775 1.000 38.80444 ? 158 ILE A CG2  1 
ATOM   1237 C  CD1  . ILE A 1 158 ? 21.33342  24.48399 -14.43235 1.000 37.31704 ? 158 ILE A CD1  1 
ATOM   1238 N  N    . GLY A 1 159 ? 17.04520  24.48257 -16.74448 1.000 40.51441 ? 159 GLY A N    1 
ATOM   1239 C  CA   . GLY A 1 159 ? 16.40327  23.24121 -17.14412 1.000 40.37903 ? 159 GLY A CA   1 
ATOM   1240 C  C    . GLY A 1 159 ? 15.32430  22.86750 -16.15398 1.000 39.19658 ? 159 GLY A C    1 
ATOM   1241 O  O    . GLY A 1 159 ? 15.06386  23.59118 -15.19579 1.000 36.12972 ? 159 GLY A O    1 
ATOM   1242 N  N    . ILE A 1 160 ? 14.68377  21.72483 -16.42395 1.000 38.41925 ? 160 ILE A N    1 
ATOM   1243 C  CA   . ILE A 1 160 ? 13.60819  21.19826 -15.59346 1.000 35.40740 ? 160 ILE A CA   1 
ATOM   1244 C  C    . ILE A 1 160 ? 13.90620  19.73776 -15.32508 1.000 35.60646 ? 160 ILE A C    1 
ATOM   1245 O  O    . ILE A 1 160 ? 14.49373  19.05065 -16.16178 1.000 34.42179 ? 160 ILE A O    1 
ATOM   1246 C  CB   . ILE A 1 160 ? 12.21469  21.37387 -16.22995 1.000 37.61542 ? 160 ILE A CB   1 
ATOM   1247 C  CG1  . ILE A 1 160 ? 12.12233  20.60795 -17.56003 1.000 39.33002 ? 160 ILE A CG1  1 
ATOM   1248 C  CG2  . ILE A 1 160 ? 11.94293  22.85862 -16.44508 1.000 32.04990 ? 160 ILE A CG2  1 
ATOM   1249 C  CD1  . ILE A 1 160 ? 10.70045  20.49537 -18.11694 1.000 39.18055 ? 160 ILE A CD1  1 
ATOM   1250 N  N    . HIS A 1 161 ? 13.61363  19.31360 -14.09153 1.000 38.19211 ? 161 HIS A N    1 
ATOM   1251 C  CA   . HIS A 1 161 ? 13.94840  17.98434 -13.61046 1.000 34.27263 ? 161 HIS A CA   1 
ATOM   1252 C  C    . HIS A 1 161 ? 13.10749  16.90183 -14.29809 1.000 36.35187 ? 161 HIS A C    1 
ATOM   1253 O  O    . HIS A 1 161 ? 11.88477  17.06011 -14.43120 1.000 34.98038 ? 161 HIS A O    1 
ATOM   1254 C  CB   . HIS A 1 161 ? 13.73659  17.96313 -12.07281 1.000 29.95309 ? 161 HIS A CB   1 
ATOM   1255 C  CG   . HIS A 1 161 ? 14.13419  16.68006 -11.50310 1.000 32.73591 ? 161 HIS A CG   1 
ATOM   1256 N  ND1  . HIS A 1 161 ? 15.45852  16.35334 -11.31757 1.000 35.97794 ? 161 HIS A ND1  1 
ATOM   1257 C  CD2  . HIS A 1 161 ? 13.41076  15.56995 -11.21527 1.000 32.01240 ? 161 HIS A CD2  1 
ATOM   1258 C  CE1  . HIS A 1 161 ? 15.52689  15.11700 -10.84622 1.000 35.37369 ? 161 HIS A CE1  1 
ATOM   1259 N  NE2  . HIS A 1 161 ? 14.30206  14.61436 -10.79774 1.000 33.45175 ? 161 HIS A NE2  1 
ATOM   1260 N  N    . VAL A 1 162 ? 13.75179  15.80329 -14.76114 1.000 36.27978 ? 162 VAL A N    1 
ATOM   1261 C  CA   . VAL A 1 162 ? 13.01944  14.81824 -15.55572 1.000 36.18472 ? 162 VAL A CA   1 
ATOM   1262 C  C    . VAL A 1 162 ? 13.27708  13.38483 -15.09704 1.000 38.45944 ? 162 VAL A C    1 
ATOM   1263 O  O    . VAL A 1 162 ? 12.55203  12.46942 -15.51411 1.000 40.63501 ? 162 VAL A O    1 
ATOM   1264 C  CB   . VAL A 1 162 ? 13.31378  14.95826 -17.08400 1.000 33.75083 ? 162 VAL A CB   1 
ATOM   1265 C  CG1  . VAL A 1 162 ? 12.83812  16.29991 -17.57478 1.000 33.44972 ? 162 VAL A CG1  1 
ATOM   1266 C  CG2  . VAL A 1 162 ? 14.79889  14.79893 -17.39325 1.000 30.33787 ? 162 VAL A CG2  1 
ATOM   1267 N  N    . GLY A 1 163 ? 14.26486  13.15628 -14.22470 1.000 41.62697 ? 163 GLY A N    1 
ATOM   1268 C  CA   . GLY A 1 163 ? 14.43306  11.79421 -13.71771 1.000 42.09216 ? 163 GLY A CA   1 
ATOM   1269 C  C    . GLY A 1 163 ? 15.62800  11.61409 -12.79122 1.000 39.77313 ? 163 GLY A C    1 
ATOM   1270 O  O    . GLY A 1 163 ? 16.39818  12.54721 -12.51833 1.000 36.79116 ? 163 GLY A O    1 
ATOM   1271 N  N    . GLY A 1 164 ? 15.81197  10.36953 -12.36052 1.000 40.12457 ? 164 GLY A N    1 
ATOM   1272 C  CA   . GLY A 1 164 ? 16.82649  10.05366 -11.36120 1.000 45.63935 ? 164 GLY A CA   1 
ATOM   1273 C  C    . GLY A 1 164 ? 16.63458  8.64061  -10.85720 1.000 45.11239 ? 164 GLY A C    1 
ATOM   1274 O  O    . GLY A 1 164 ? 15.62812  7.98120  -11.13713 1.000 45.41073 ? 164 GLY A O    1 
ATOM   1275 N  N    . ASN A 1 165 ? 17.62888  8.17854  -10.09886 1.000 43.06502 ? 165 ASN A N    1 
ATOM   1276 C  CA   . ASN A 1 165 ? 17.68309  6.77604  -9.69945  1.000 41.79621 ? 165 ASN A CA   1 
ATOM   1277 C  C    . ASN A 1 165 ? 18.00139  6.57311  -8.21880  1.000 48.06444 ? 165 ASN A C    1 
ATOM   1278 O  O    . ASN A 1 165 ? 18.54831  5.52969  -7.85749  1.000 46.83422 ? 165 ASN A O    1 
ATOM   1279 C  CB   . ASN A 1 165 ? 18.73952  6.06215  -10.50906 1.000 43.40645 ? 165 ASN A CB   1 
ATOM   1280 C  CG   . ASN A 1 165 ? 20.10782  6.66945  -10.32173 1.000 46.09827 ? 165 ASN A CG   1 
ATOM   1281 O  OD1  . ASN A 1 165 ? 20.27517  7.66759  -9.59384  1.000 49.36666 ? 165 ASN A OD1  1 
ATOM   1282 N  ND2  . ASN A 1 165 ? 21.10949  6.07029  -10.96484 1.000 42.04645 ? 165 ASN A ND2  1 
ATOM   1283 N  N    . GLY A 1 166 ? 17.69368  7.54596  -7.36533  1.000 44.19869 ? 166 GLY A N    1 
ATOM   1284 C  CA   . GLY A 1 166 ? 18.07889  7.51846  -5.97100  1.000 47.31855 ? 166 GLY A CA   1 
ATOM   1285 C  C    . GLY A 1 166 ? 19.50275  7.96285  -5.70893  1.000 52.24548 ? 166 GLY A C    1 
ATOM   1286 O  O    . GLY A 1 166 ? 19.84615  8.23702  -4.56345  1.000 48.73810 ? 166 GLY A O    1 
ATOM   1287 N  N    . ALA A 1 167 ? 20.35761  8.03270  -6.72640  1.000 49.08506 ? 167 ALA A N    1 
ATOM   1288 C  CA   . ALA A 1 167 ? 21.72289  8.49670  -6.49929  1.000 47.95165 ? 167 ALA A CA   1 
ATOM   1289 C  C    . ALA A 1 167 ? 22.03454  9.77900  -7.24958  1.000 50.09102 ? 167 ALA A C    1 
ATOM   1290 O  O    . ALA A 1 167 ? 22.65894  10.68017 -6.68141  1.000 46.87272 ? 167 ALA A O    1 
ATOM   1291 C  CB   . ALA A 1 167 ? 22.74368  7.42017  -6.90484  1.000 48.42772 ? 167 ALA A CB   1 
ATOM   1292 N  N    . GLN A 1 168 ? 21.67993  9.86527  -8.54057  1.000 48.36712 ? 168 GLN A N    1 
ATOM   1293 C  CA   . GLN A 1 168 ? 21.88680  11.07775 -9.30803  1.000 46.47392 ? 168 GLN A CA   1 
ATOM   1294 C  C    . GLN A 1 168 ? 20.54076  11.61191 -9.78111  1.000 43.82381 ? 168 GLN A C    1 
ATOM   1295 O  O    . GLN A 1 168 ? 19.54653  10.87942 -9.82391  1.000 43.60543 ? 168 GLN A O    1 
ATOM   1296 C  CB   . GLN A 1 168 ? 22.81458  10.80348 -10.48949 1.000 49.18149 ? 168 GLN A CB   1 
ATOM   1297 C  CG   . GLN A 1 168 ? 24.25924  10.52580 -10.04483 1.000 51.03238 ? 168 GLN A CG   1 
ATOM   1298 C  CD   . GLN A 1 168 ? 25.14306  10.10477 -11.21777 1.000 56.10168 ? 168 GLN A CD   1 
ATOM   1299 O  OE1  . GLN A 1 168 ? 24.69008  9.40109  -12.11928 1.000 53.67632 ? 168 GLN A OE1  1 
ATOM   1300 N  NE2  . GLN A 1 168 ? 26.39841  10.55534 -11.22200 1.000 57.97133 ? 168 GLN A NE2  1 
ATOM   1301 N  N    . GLY A 1 169 ? 20.51625  12.90124 -10.12718 1.000 45.42481 ? 169 GLY A N    1 
ATOM   1302 C  CA   . GLY A 1 169 ? 19.34718  13.52184 -10.73749 1.000 44.39452 ? 169 GLY A CA   1 
ATOM   1303 C  C    . GLY A 1 169 ? 19.64921  14.18142 -12.07869 1.000 42.81326 ? 169 GLY A C    1 
ATOM   1304 O  O    . GLY A 1 169 ? 20.77899  14.62577 -12.34181 1.000 42.81237 ? 169 GLY A O    1 
ATOM   1305 N  N    . PHE A 1 170 ? 18.60603  14.29832 -12.90891 1.000 40.57404 ? 170 PHE A N    1 
ATOM   1306 C  CA   . PHE A 1 170 ? 18.74646  14.71446 -14.29835 1.000 38.34099 ? 170 PHE A CA   1 
ATOM   1307 C  C    . PHE A 1 170 ? 17.65318  15.68057 -14.72471 1.000 38.05705 ? 170 PHE A C    1 
ATOM   1308 O  O    . PHE A 1 170 ? 16.46175  15.45074 -14.47449 1.000 35.93463 ? 170 PHE A O    1 
ATOM   1309 C  CB   . PHE A 1 170 ? 18.73117  13.50594 -15.20283 1.000 37.22558 ? 170 PHE A CB   1 
ATOM   1310 C  CG   . PHE A 1 170 ? 19.79701  12.52506 -14.85752 1.000 39.55077 ? 170 PHE A CG   1 
ATOM   1311 C  CD1  . PHE A 1 170 ? 21.07110  12.66292 -15.38149 1.000 37.57631 ? 170 PHE A CD1  1 
ATOM   1312 C  CD2  . PHE A 1 170 ? 19.53006  11.48277 -13.98345 1.000 40.97635 ? 170 PHE A CD2  1 
ATOM   1313 C  CE1  . PHE A 1 170 ? 22.07039  11.76818 -15.05609 1.000 43.47358 ? 170 PHE A CE1  1 
ATOM   1314 C  CE2  . PHE A 1 170 ? 20.52549  10.57024 -13.63236 1.000 45.04688 ? 170 PHE A CE2  1 
ATOM   1315 C  CZ   . PHE A 1 170 ? 21.80692  10.72373 -14.16104 1.000 45.29197 ? 170 PHE A CZ   1 
ATOM   1316 N  N    . ALA A 1 171 ? 18.07639  16.73588 -15.43314 1.000 40.42182 ? 171 ALA A N    1 
ATOM   1317 C  CA   . ALA A 1 171 ? 17.18998  17.75067 -15.98707 1.000 37.69870 ? 171 ALA A CA   1 
ATOM   1318 C  C    . ALA A 1 171 ? 17.38495  17.84400 -17.49645 1.000 35.18973 ? 171 ALA A C    1 
ATOM   1319 O  O    . ALA A 1 171 ? 18.47449  17.58148 -18.02016 1.000 34.16283 ? 171 ALA A O    1 
ATOM   1320 C  CB   . ALA A 1 171 ? 17.44586  19.14468 -15.36430 1.000 34.18738 ? 171 ALA A CB   1 
ATOM   1321 N  N    . ALA A 1 172 ? 16.32406  18.25883 -18.16822 1.000 34.61710 ? 172 ALA A N    1 
ATOM   1322 C  CA   . ALA A 1 172 ? 16.34821  18.49490 -19.60248 1.000 37.60648 ? 172 ALA A CA   1 
ATOM   1323 C  C    . ALA A 1 172 ? 16.74937  19.94512 -19.78556 1.000 38.49614 ? 172 ALA A C    1 
ATOM   1324 O  O    . ALA A 1 172 ? 16.20702  20.81975 -19.10980 1.000 34.65285 ? 172 ALA A O    1 
ATOM   1325 C  CB   . ALA A 1 172 ? 14.97727  18.20811 -20.19680 1.000 32.60264 ? 172 ALA A CB   1 
ATOM   1326 N  N    . MET A 1 173 ? 17.71312  20.20241 -20.67473 1.000 41.97959 ? 173 MET A N    1 
ATOM   1327 C  CA   . MET A 1 173 ? 18.18622  21.57226 -20.85037 1.000 38.59755 ? 173 MET A CA   1 
ATOM   1328 C  C    . MET A 1 173 ? 17.05373  22.46716 -21.31288 1.000 39.31569 ? 173 MET A C    1 
ATOM   1329 O  O    . MET A 1 173 ? 16.11077  22.02403 -21.97592 1.000 39.87198 ? 173 MET A O    1 
ATOM   1330 C  CB   . MET A 1 173 ? 19.29172  21.63453 -21.87553 1.000 41.41531 ? 173 MET A CB   1 
ATOM   1331 C  CG   . MET A 1 173 ? 20.58712  21.21247 -21.29938 1.000 44.63490 ? 173 MET A CG   1 
ATOM   1332 S  SD   . MET A 1 173 ? 21.90542  21.60508 -22.42667 1.000 46.16930 ? 173 MET A SD   1 
ATOM   1333 C  CE   . MET A 1 173 ? 23.17811  20.51130 -21.83601 1.000 43.98847 ? 173 MET A CE   1 
ATOM   1334 N  N    . LEU A 1 174 ? 17.13243  23.73558 -20.93455 1.000 36.56575 ? 174 LEU A N    1 
ATOM   1335 C  CA   . LEU A 1 174 ? 16.29634  24.76557 -21.52426 1.000 37.47183 ? 174 LEU A CA   1 
ATOM   1336 C  C    . LEU A 1 174 ? 17.23655  25.73764 -22.22248 1.000 42.43084 ? 174 LEU A C    1 
ATOM   1337 O  O    . LEU A 1 174 ? 18.21686  26.18261 -21.61941 1.000 40.08491 ? 174 LEU A O    1 
ATOM   1338 C  CB   . LEU A 1 174 ? 15.45893  25.47684 -20.47984 1.000 40.94493 ? 174 LEU A CB   1 
ATOM   1339 C  CG   . LEU A 1 174 ? 14.27685  24.72709 -19.87325 1.000 42.22071 ? 174 LEU A CG   1 
ATOM   1340 C  CD1  . LEU A 1 174 ? 13.68154  25.57658 -18.73888 1.000 37.66531 ? 174 LEU A CD1  1 
ATOM   1341 C  CD2  . LEU A 1 174 ? 13.23712  24.43292 -20.89318 1.000 38.95142 ? 174 LEU A CD2  1 
ATOM   1342 N  N    . LEU A 1 175 ? 16.98233  26.00761 -23.50536 1.000 43.08675 ? 175 LEU A N    1 
ATOM   1343 C  CA   . LEU A 1 175 ? 17.82775  26.87435 -24.31626 1.000 41.26303 ? 175 LEU A CA   1 
ATOM   1344 C  C    . LEU A 1 175 ? 17.00794  28.03616 -24.83885 1.000 37.59120 ? 175 LEU A C    1 
ATOM   1345 O  O    . LEU A 1 175 ? 15.85638  27.85118 -25.23697 1.000 40.31426 ? 175 LEU A O    1 
ATOM   1346 C  CB   . LEU A 1 175 ? 18.41796  26.11942 -25.49055 1.000 38.59499 ? 175 LEU A CB   1 
ATOM   1347 C  CG   . LEU A 1 175 ? 19.51214  25.10128 -25.13428 1.000 38.18567 ? 175 LEU A CG   1 
ATOM   1348 C  CD1  . LEU A 1 175 ? 20.04378  24.49742 -26.45230 1.000 49.37024 ? 175 LEU A CD1  1 
ATOM   1349 C  CD2  . LEU A 1 175 ? 20.62659  25.69325 -24.30696 1.000 44.40971 ? 175 LEU A CD2  1 
ATOM   1350 N  N    . HIS A 1 176 ? 17.59842  29.23506 -24.83916 1.000 36.76056 ? 176 HIS A N    1 
ATOM   1351 C  CA   . HIS A 1 176 ? 16.87154  30.41891 -25.29662 1.000 41.02535 ? 176 HIS A CA   1 
ATOM   1352 C  C    . HIS A 1 176 ? 16.27963  30.21465 -26.69955 1.000 41.22673 ? 176 HIS A C    1 
ATOM   1353 O  O    . HIS A 1 176 ? 15.12052  30.58003 -26.96459 1.000 37.84477 ? 176 HIS A O    1 
ATOM   1354 C  CB   . HIS A 1 176 ? 17.80704  31.63326 -25.26430 1.000 40.08554 ? 176 HIS A CB   1 
ATOM   1355 C  CG   . HIS A 1 176 ? 17.16744  32.90893 -25.72752 1.000 45.96646 ? 176 HIS A CG   1 
ATOM   1356 N  ND1  . HIS A 1 176 ? 17.14964  33.29384 -27.05765 1.000 49.70077 ? 176 HIS A ND1  1 
ATOM   1357 C  CD2  . HIS A 1 176 ? 16.54974  33.90045 -25.04541 1.000 47.84185 ? 176 HIS A CD2  1 
ATOM   1358 C  CE1  . HIS A 1 176 ? 16.53738  34.46109 -27.16883 1.000 47.86233 ? 176 HIS A CE1  1 
ATOM   1359 N  NE2  . HIS A 1 176 ? 16.16447  34.85104 -25.96153 1.000 53.28771 ? 176 HIS A NE2  1 
ATOM   1360 N  N    . SER A 1 177 ? 17.03510  29.58486 -27.59803 1.000 37.74825 ? 177 SER A N    1 
ATOM   1361 C  CA   . SER A 1 177 ? 16.48526  29.45805 -28.94779 1.000 45.68311 ? 177 SER A CA   1 
ATOM   1362 C  C    . SER A 1 177 ? 15.27820  28.52968 -29.01189 1.000 46.65991 ? 177 SER A C    1 
ATOM   1363 O  O    . SER A 1 177 ? 14.73053  28.40878 -30.09484 1.000 37.23281 ? 177 SER A O    1 
ATOM   1364 C  CB   . SER A 1 177 ? 17.55059  28.97682 -29.94877 1.000 42.03912 ? 177 SER A CB   1 
ATOM   1365 O  OG   . SER A 1 177 ? 17.76648  27.57165 -29.82597 1.000 41.61289 ? 177 SER A OG   1 
ATOM   1366 N  N    . TYR A 1 178 ? 14.83155  27.89637 -27.90667 1.000 38.87209 ? 178 TYR A N    1 
ATOM   1367 C  CA   . TYR A 1 178 ? 13.60334  27.10084 -27.95686 1.000 38.81089 ? 178 TYR A CA   1 
ATOM   1368 C  C    . TYR A 1 178 ? 12.34825  27.95410 -27.98183 1.000 36.88921 ? 178 TYR A C    1 
ATOM   1369 O  O    . TYR A 1 178 ? 11.27288  27.42272 -28.26776 1.000 38.38300 ? 178 TYR A O    1 
ATOM   1370 C  CB   . TYR A 1 178 ? 13.45520  26.19257 -26.74076 1.000 41.34927 ? 178 TYR A CB   1 
ATOM   1371 C  CG   . TYR A 1 178 ? 14.40798  25.03235 -26.60885 1.000 42.78317 ? 178 TYR A CG   1 
ATOM   1372 C  CD1  . TYR A 1 178 ? 15.24066  24.64886 -27.64545 1.000 40.90752 ? 178 TYR A CD1  1 
ATOM   1373 C  CD2  . TYR A 1 178 ? 14.49448  24.34868 -25.40745 1.000 36.75314 ? 178 TYR A CD2  1 
ATOM   1374 C  CE1  . TYR A 1 178 ? 16.11243  23.55683 -27.51293 1.000 42.09251 ? 178 TYR A CE1  1 
ATOM   1375 C  CE2  . TYR A 1 178 ? 15.35308  23.27815 -25.25415 1.000 38.56840 ? 178 TYR A CE2  1 
ATOM   1376 C  CZ   . TYR A 1 178 ? 16.17385  22.88448 -26.29190 1.000 39.88636 ? 178 TYR A CZ   1 
ATOM   1377 O  OH   . TYR A 1 178 ? 17.02685  21.79979 -26.11439 1.000 37.29762 ? 178 TYR A OH   1 
ATOM   1378 N  N    . PHE A 1 179 ? 12.44325  29.24163 -27.65245 1.000 36.11697 ? 179 PHE A N    1 
ATOM   1379 C  CA   . PHE A 1 179 ? 11.26258  30.07410 -27.42744 1.000 36.99665 ? 179 PHE A CA   1 
ATOM   1380 C  C    . PHE A 1 179 ? 11.30473  31.38561 -28.20270 1.000 48.86305 ? 179 PHE A C    1 
ATOM   1381 O  O    . PHE A 1 179 ? 10.58510  32.33844 -27.85099 1.000 51.22131 ? 179 PHE A O    1 
ATOM   1382 C  CB   . PHE A 1 179 ? 11.10674  30.37693 -25.93109 1.000 43.22537 ? 179 PHE A CB   1 
ATOM   1383 C  CG   . PHE A 1 179 ? 11.08353  29.15558 -25.09089 1.000 40.83309 ? 179 PHE A CG   1 
ATOM   1384 C  CD1  . PHE A 1 179 ? 9.90046   28.48383 -24.87627 1.000 39.69454 ? 179 PHE A CD1  1 
ATOM   1385 C  CD2  . PHE A 1 179 ? 12.25958  28.64175 -24.55726 1.000 42.26128 ? 179 PHE A CD2  1 
ATOM   1386 C  CE1  . PHE A 1 179 ? 9.87754   27.33119 -24.06850 1.000 41.22354 ? 179 PHE A CE1  1 
ATOM   1387 C  CE2  . PHE A 1 179 ? 12.25367  27.49947 -23.77620 1.000 38.53673 ? 179 PHE A CE2  1 
ATOM   1388 C  CZ   . PHE A 1 179 ? 11.05043  26.84000 -23.53005 1.000 38.74321 ? 179 PHE A CZ   1 
ATOM   1389 N  N    . THR A 1 180 ? 12.14626  31.47968 -29.22737 1.000 51.52219 ? 180 THR A N    1 
ATOM   1390 C  CA   . THR A 1 180 ? 12.14406  32.67916 -30.04551 1.000 59.87799 ? 180 THR A CA   1 
ATOM   1391 C  C    . THR A 1 180 ? 10.99580  32.61507 -31.04269 1.000 60.96543 ? 180 THR A C    1 
ATOM   1392 O  O    . THR A 1 180 ? 10.56448  31.53901 -31.47589 1.000 56.52470 ? 180 THR A O    1 
ATOM   1393 C  CB   . THR A 1 180 ? 13.47169  32.86011 -30.78100 1.000 57.92723 ? 180 THR A CB   1 
ATOM   1394 O  OG1  . THR A 1 180 ? 13.74887  31.68298 -31.54169 1.000 55.33195 ? 180 THR A OG1  1 
ATOM   1395 C  CG2  . THR A 1 180 ? 14.62476  33.13710 -29.79536 1.000 48.96166 ? 180 THR A CG2  1 
ATOM   1396 N  N    . ASP A 1 181 ? 10.49514  33.79157 -31.38541 1.000 66.77799 ? 181 ASP A N    1 
ATOM   1397 C  CA   . ASP A 1 181 ? 9.35966   33.91251 -32.29310 1.000 77.36295 ? 181 ASP A CA   1 
ATOM   1398 C  C    . ASP A 1 181 ? 9.79012   33.62630 -33.73791 1.000 75.66434 ? 181 ASP A C    1 
ATOM   1399 O  O    . ASP A 1 181 ? 10.85938  34.06216 -34.18285 1.000 78.14840 ? 181 ASP A O    1 
ATOM   1400 C  CB   . ASP A 1 181 ? 8.78619   35.32191 -32.15475 1.000 76.51987 ? 181 ASP A CB   1 
ATOM   1401 C  CG   . ASP A 1 181 ? 8.71967   35.77000 -30.67636 1.000 79.80581 ? 181 ASP A CG   1 
ATOM   1402 O  OD1  . ASP A 1 181 ? 8.16258   35.01176 -29.82239 1.000 75.15221 ? 181 ASP A OD1  1 
ATOM   1403 O  OD2  . ASP A 1 181 ? 9.25682   36.87137 -30.36404 1.000 82.04167 ? 181 ASP A OD2  1 
ATOM   1404 N  N    . THR A 1 182 ? 8.97309   32.86605 -34.46881 1.000 78.43800 ? 182 THR A N    1 
ATOM   1405 C  CA   . THR A 1 182 ? 9.33085   32.51321 -35.85563 1.000 83.06158 ? 182 THR A CA   1 
ATOM   1406 C  C    . THR A 1 182 ? 8.11973   32.54494 -36.80992 1.000 83.61238 ? 182 THR A C    1 
ATOM   1407 O  O    . THR A 1 182 ? 8.21456   33.01035 -37.95654 1.000 81.07159 ? 182 THR A O    1 
ATOM   1408 C  CB   . THR A 1 182 ? 10.00708  31.11093 -35.92924 1.000 76.52319 ? 182 THR A CB   1 
ATOM   1409 N  N    . ARG A 1 184 ? 6.36891   29.52041 -40.88483 1.000 81.46170 ? 184 ARG A N    1 
ATOM   1410 C  CA   . ARG A 1 184 ? 5.41009   28.59078 -41.50538 1.000 77.99150 ? 184 ARG A CA   1 
ATOM   1411 C  C    . ARG A 1 184 ? 5.94128   27.14699 -41.50924 1.000 76.51063 ? 184 ARG A C    1 
ATOM   1412 O  O    . ARG A 1 184 ? 6.87066   26.81856 -42.24996 1.000 77.68737 ? 184 ARG A O    1 
ATOM   1413 C  CB   . ARG A 1 184 ? 5.07181   29.02378 -42.94372 1.000 72.83707 ? 184 ARG A CB   1 
ATOM   1414 N  N    . HIS A 1 185 ? 5.35814   26.28346 -40.67494 1.000 76.44541 ? 185 HIS A N    1 
ATOM   1415 C  CA   . HIS A 1 185 ? 5.79137   24.88501 -40.61823 1.000 73.37846 ? 185 HIS A CA   1 
ATOM   1416 C  C    . HIS A 1 185 ? 4.65089   24.04278 -40.05197 1.000 67.55057 ? 185 HIS A C    1 
ATOM   1417 O  O    . HIS A 1 185 ? 4.27688   24.20813 -38.88320 1.000 67.92905 ? 185 HIS A O    1 
ATOM   1418 C  CB   . HIS A 1 185 ? 7.06564   24.73986 -39.77281 1.000 73.79596 ? 185 HIS A CB   1 
ATOM   1419 N  N    . HIS A 1 186 ? 4.09794   23.14860 -40.87652 1.000 62.87856 ? 186 HIS A N    1 
ATOM   1420 C  CA   . HIS A 1 186 ? 3.21113   22.09361 -40.38232 1.000 60.62220 ? 186 HIS A CA   1 
ATOM   1421 C  C    . HIS A 1 186 ? 3.88205   21.16613 -39.36572 1.000 61.37560 ? 186 HIS A C    1 
ATOM   1422 O  O    . HIS A 1 186 ? 4.62676   20.26499 -39.77274 1.000 64.50626 ? 186 HIS A O    1 
ATOM   1423 C  CB   . HIS A 1 186 ? 2.68712   21.24618 -41.54911 1.000 56.85328 ? 186 HIS A CB   1 
ATOM   1424 C  CG   . HIS A 1 186 ? 1.44302   20.48450 -41.21292 1.000 52.70459 ? 186 HIS A CG   1 
ATOM   1425 N  ND1  . HIS A 1 186 ? 0.28633   21.10176 -40.77696 1.000 53.21229 ? 186 HIS A ND1  1 
ATOM   1426 C  CD2  . HIS A 1 186 ? 1.20615   19.15167 -41.14977 1.000 49.34661 ? 186 HIS A CD2  1 
ATOM   1427 C  CE1  . HIS A 1 186 ? -0.62308  20.17957 -40.49847 1.000 55.29926 ? 186 HIS A CE1  1 
ATOM   1428 N  NE2  . HIS A 1 186 ? -0.09085  18.98726 -40.71805 1.000 55.63911 ? 186 HIS A NE2  1 
ATOM   1429 N  N    . HIS A 1 187 ? 3.61697   21.31228 -38.05808 1.000 63.70037 ? 187 HIS A N    1 
ATOM   1430 C  CA   . HIS A 1 187 ? 4.33625   20.47430 -37.09437 1.000 61.03522 ? 187 HIS A CA   1 
ATOM   1431 C  C    . HIS A 1 187 ? 3.48743   19.34286 -36.49562 1.000 59.35353 ? 187 HIS A C    1 
ATOM   1432 O  O    . HIS A 1 187 ? 3.95073   18.66934 -35.56361 1.000 67.70773 ? 187 HIS A O    1 
ATOM   1433 C  CB   . HIS A 1 187 ? 4.94968   21.30894 -35.95464 1.000 69.62642 ? 187 HIS A CB   1 
ATOM   1434 C  CG   . HIS A 1 187 ? 4.14263   22.50383 -35.54876 1.000 69.27124 ? 187 HIS A CG   1 
ATOM   1435 N  ND1  . HIS A 1 187 ? 4.28192   23.73963 -36.15169 1.000 71.04483 ? 187 HIS A ND1  1 
ATOM   1436 C  CD2  . HIS A 1 187 ? 3.26717   22.67831 -34.52357 1.000 65.68412 ? 187 HIS A CD2  1 
ATOM   1437 C  CE1  . HIS A 1 187 ? 3.46943   24.60471 -35.56266 1.000 71.31333 ? 187 HIS A CE1  1 
ATOM   1438 N  NE2  . HIS A 1 187 ? 2.85030   23.99003 -34.56418 1.000 69.24733 ? 187 HIS A NE2  1 
ATOM   1439 N  N    . HIS A 1 188 ? 2.27145   19.10950 -36.98900 1.000 55.46968 ? 188 HIS A N    1 
ATOM   1440 C  CA   . HIS A 1 188 ? 1.49450   17.94128 -36.56103 1.000 54.61649 ? 188 HIS A CA   1 
ATOM   1441 C  C    . HIS A 1 188 ? 0.96185   17.18675 -37.78654 1.000 60.12166 ? 188 HIS A C    1 
ATOM   1442 O  O    . HIS A 1 188 ? 0.37855   16.10959 -37.64809 1.000 66.86740 ? 188 HIS A O    1 
ATOM   1443 C  CB   . HIS A 1 188 ? 0.32546   18.34530 -35.63609 1.000 59.06195 ? 188 HIS A CB   1 
ATOM   1444 C  CG   . HIS A 1 188 ? 0.74796   19.07865 -34.38438 1.000 56.16283 ? 188 HIS A CG   1 
ATOM   1445 N  ND1  . HIS A 1 188 ? 0.44101   20.40912 -34.15758 1.000 56.82652 ? 188 HIS A ND1  1 
ATOM   1446 C  CD2  . HIS A 1 188 ? 1.45530   18.67002 -33.30098 1.000 57.93354 ? 188 HIS A CD2  1 
ATOM   1447 C  CE1  . HIS A 1 188 ? 0.94758   20.78976 -32.99606 1.000 52.15219 ? 188 HIS A CE1  1 
ATOM   1448 N  NE2  . HIS A 1 188 ? 1.57143   19.75485 -32.45801 1.000 55.48908 ? 188 HIS A NE2  1 
HETATM 1449 C  C01  . XNV B 2 .   ? 3.69433   12.44395 -11.62459 1.000 47.08277 ? 201 XNV A C01  1 
HETATM 1450 C  C02  . XNV B 2 .   ? 4.97474   13.17812 -11.32714 1.000 44.67830 ? 201 XNV A C02  1 
HETATM 1451 O  O03  . XNV B 2 .   ? 6.07932   12.33757 -11.77405 1.000 43.71898 ? 201 XNV A O03  1 
HETATM 1452 C  C04  . XNV B 2 .   ? 7.32756   12.75002 -11.45828 1.000 44.31235 ? 201 XNV A C04  1 
HETATM 1453 C  C05  . XNV B 2 .   ? 8.40835   11.99711 -12.20538 1.000 42.21050 ? 201 XNV A C05  1 
HETATM 1454 C  C06  . XNV B 2 .   ? 9.72583   12.45471 -11.59787 1.000 43.15181 ? 201 XNV A C06  1 
HETATM 1455 C  C07  . XNV B 2 .   ? 10.65817  11.28156 -11.34541 1.000 39.12361 ? 201 XNV A C07  1 
HETATM 1456 N  N08  . XNV B 2 .   ? 10.93674  10.68286 -12.63630 1.000 40.69449 ? 201 XNV A N08  1 
HETATM 1457 C  C09  . XNV B 2 .   ? 10.90238  9.35113  -12.83504 1.000 44.51654 ? 201 XNV A C09  1 
HETATM 1458 C  C10  . XNV B 2 .   ? 11.29686  9.02075  -14.27574 1.000 48.86081 ? 201 XNV A C10  1 
HETATM 1459 N  N11  . XNV B 2 .   ? 11.89937  7.69350  -14.43035 1.000 43.62473 ? 201 XNV A N11  1 
HETATM 1460 C  C12  . XNV B 2 .   ? 13.27542  7.74654  -14.19455 1.000 44.30178 ? 201 XNV A C12  1 
HETATM 1461 C  C13  . XNV B 2 .   ? 14.00391  6.50512  -14.37591 1.000 47.72938 ? 201 XNV A C13  1 
HETATM 1462 N  N14  . XNV B 2 .   ? 15.36370  6.66078  -14.14406 1.000 44.99679 ? 201 XNV A N14  1 
HETATM 1463 C  C15  . XNV B 2 .   ? 16.31657  6.28734  -15.03683 1.000 49.23372 ? 201 XNV A C15  1 
HETATM 1464 C  C16  . XNV B 2 .   ? 17.71732  6.62161  -14.63919 1.000 47.08253 ? 201 XNV A C16  1 
HETATM 1465 N  N17  . XNV B 2 .   ? 17.95200  7.39482  -13.59110 1.000 53.07667 ? 201 XNV A N17  1 
HETATM 1466 O  O18  . XNV B 2 .   ? 19.33776  7.54459  -13.52236 1.000 51.61833 ? 201 XNV A O18  1 
HETATM 1467 C  C19  . XNV B 2 .   ? 19.88519  6.87355  -14.57876 1.000 51.73507 ? 201 XNV A C19  1 
HETATM 1468 C  C20  . XNV B 2 .   ? 21.35788  6.92654  -14.68398 1.000 51.19275 ? 201 XNV A C20  1 
HETATM 1469 C  C21  . XNV B 2 .   ? 18.91521  6.28113  -15.32331 1.000 48.58826 ? 201 XNV A C21  1 
HETATM 1470 O  O22  . XNV B 2 .   ? 16.06102  5.80224  -16.13643 1.000 55.15953 ? 201 XNV A O22  1 
HETATM 1471 C  C23  . XNV B 2 .   ? 13.34822  5.38235  -14.78406 1.000 47.20351 ? 201 XNV A C23  1 
HETATM 1472 C  C24  . XNV B 2 .   ? 11.94436  5.43562  -14.99582 1.000 47.75992 ? 201 XNV A C24  1 
HETATM 1473 C  C25  . XNV B 2 .   ? 11.24074  6.58514  -14.82145 1.000 45.95499 ? 201 XNV A C25  1 
HETATM 1474 O  O26  . XNV B 2 .   ? 13.83045  8.80419  -13.82759 1.000 45.24557 ? 201 XNV A O26  1 
HETATM 1475 C  C27  . XNV B 2 .   ? 10.24659  9.47961  -15.27203 1.000 48.45233 ? 201 XNV A C27  1 
HETATM 1476 C  C28  . XNV B 2 .   ? 10.65729  9.14801  -16.63825 1.000 51.10911 ? 201 XNV A C28  1 
HETATM 1477 C  C29  . XNV B 2 .   ? 11.01569  8.86507  -17.74889 1.000 50.29184 ? 201 XNV A C29  1 
HETATM 1478 O  O30  . XNV B 2 .   ? 10.63707  8.46917  -12.03093 1.000 44.53786 ? 201 XNV A O30  1 
HETATM 1479 C  C31  . XNV B 2 .   ? 11.96982  11.69977 -10.66992 1.000 40.79692 ? 201 XNV A C31  1 
HETATM 1480 C  C32  . XNV B 2 .   ? 12.89246  10.50824 -10.28762 1.000 43.01500 ? 201 XNV A C32  1 
HETATM 1481 C  C33  . XNV B 2 .   ? 12.32201  9.35474  -9.41174  1.000 44.80012 ? 201 XNV A C33  1 
HETATM 1482 C  C34  . XNV B 2 .   ? 13.47521  8.96468  -8.47457  1.000 43.13647 ? 201 XNV A C34  1 
HETATM 1483 N  N35  . XNV B 2 .   ? 14.37764  10.10399 -8.53966  1.000 40.51967 ? 201 XNV A N35  1 
HETATM 1484 C  C36  . XNV B 2 .   ? 14.12310  11.01274 -9.49757  1.000 40.56188 ? 201 XNV A C36  1 
HETATM 1485 O  O37  . XNV B 2 .   ? 14.78343  12.02114 -9.68267  1.000 41.70071 ? 201 XNV A O37  1 
HETATM 1486 O  O38  . XNV B 2 .   ? 7.59026   13.66028 -10.67931 1.000 44.95188 ? 201 XNV A O38  1 
HETATM 1487 H  H10  . XNV B 2 .   ? 12.19694  9.59282  -14.49602 1.000 58.94240 ? 201 XNV A H10  1 
HETATM 1488 H  H20  . XNV B 2 .   ? 21.65624  7.74990  -15.33295 1.000 61.74073 ? 201 XNV A H20  1 
HETATM 1489 H  H20A . XNV B 2 .   ? 21.73604  5.99311  -15.10086 1.000 61.74073 ? 201 XNV A H20A 1 
HETATM 1490 H  H20B . XNV B 2 .   ? 21.79728  7.07678  -13.69785 1.000 61.74073 ? 201 XNV A H20B 1 
HETATM 1491 H  H01  . XNV B 2 .   ? 2.93085   13.15604 -11.95148 1.000 56.80876 ? 201 XNV A H01  1 
HETATM 1492 H  H21  . XNV B 2 .   ? 19.01285  5.69218  -16.21851 1.000 58.61534 ? 201 XNV A H21  1 
HETATM 1493 H  H31  . XNV B 2 .   ? 12.50607  12.37542 -11.34767 1.000 49.26574 ? 201 XNV A H31  1 
HETATM 1494 H  H01A . XNV B 2 .   ? 3.86827   11.70962 -12.41664 1.000 56.80876 ? 201 XNV A H01A 1 
HETATM 1495 H  H31A . XNV B 2 .   ? 11.72485  12.27680 -9.76967  1.000 49.26574 ? 201 XNV A H31A 1 
HETATM 1496 H  H01B . XNV B 2 .   ? 3.34852   11.92987 -10.72294 1.000 56.80876 ? 201 XNV A H01B 1 
HETATM 1497 H  H02  . XNV B 2 .   ? 5.09928   13.37338 -10.25998 1.000 53.92339 ? 201 XNV A H02  1 
HETATM 1498 H  H32  . XNV B 2 .   ? 13.24838  10.10002 -11.23585 1.000 51.92743 ? 201 XNV A H32  1 
HETATM 1499 H  H02A . XNV B 2 .   ? 5.03338   14.13357 -11.85263 1.000 53.92339 ? 201 XNV A H02A 1 
HETATM 1500 H  H23  . XNV B 2 .   ? 13.90106  4.46802  -14.94139 1.000 56.95364 ? 201 XNV A H23  1 
HETATM 1501 H  H33  . XNV B 2 .   ? 12.01339  8.49727  -10.01338 1.000 54.06957 ? 201 XNV A H33  1 
HETATM 1502 H  H33A . XNV B 2 .   ? 11.45148  9.67116  -8.83337  1.000 54.06957 ? 201 XNV A H33A 1 
HETATM 1503 H  HN14 . XNV B 2 .   ? 15.63027  7.07739  -13.25428 1.000 54.30557 ? 201 XNV A HN14 1 
HETATM 1504 H  H24  . XNV B 2 .   ? 11.41527  4.54451  -15.30328 1.000 57.62134 ? 201 XNV A H24  1 
HETATM 1505 H  H34  . XNV B 2 .   ? 13.97665  8.04830  -8.80954  1.000 52.07320 ? 201 XNV A H34  1 
HETATM 1506 H  H34A . XNV B 2 .   ? 13.12475  8.80087  -7.44804  1.000 52.07320 ? 201 XNV A H34A 1 
HETATM 1507 H  H05  . XNV B 2 .   ? 8.35186   12.21620 -13.27266 1.000 50.96203 ? 201 XNV A H05  1 
HETATM 1508 H  H25  . XNV B 2 .   ? 10.17626  6.66520  -14.97865 1.000 55.45542 ? 201 XNV A H25  1 
HETATM 1509 H  HN35 . XNV B 2 .   ? 15.16014  10.23542 -7.91636  1.000 48.93303 ? 201 XNV A HN35 1 
HETATM 1510 H  H05A . XNV B 2 .   ? 8.26070   10.92133 -12.09960 1.000 50.96203 ? 201 XNV A H05A 1 
HETATM 1511 H  H07  . XNV B 2 .   ? 10.15675  10.55879 -10.69670 1.000 47.25777 ? 201 XNV A H07  1 
HETATM 1512 H  H27  . XNV B 2 .   ? 9.28889   9.01862  -15.01292 1.000 58.45223 ? 201 XNV A H27  1 
HETATM 1513 H  H27A . XNV B 2 .   ? 10.08614  10.55442 -15.14602 1.000 58.45223 ? 201 XNV A H27A 1 
HETATM 1514 H  HN08 . XNV B 2 .   ? 11.16730  11.28297 -13.42562 1.000 49.14281 ? 201 XNV A HN08 1 
HETATM 1515 H  H29  . XNV B 2 .   ? 11.35165  8.60681  -18.72823 1.000 60.65964 ? 201 XNV A H29  1 
HETATM 1516 NA NA   . NA  C 3 .   ? -3.47881  12.61595 -9.66698  1.000 71.80168 ? 202 NA  A NA   1 
HETATM 1517 NA NA   . NA  D 3 .   ? 4.86887   25.38637 -29.48309 1.000 69.04162 ? 203 NA  A NA   1 
HETATM 1518 NA NA   . NA  E 3 .   ? 12.24135  36.41886 -29.55515 1.000 77.71098 ? 204 NA  A NA   1 
HETATM 1519 NA NA   . NA  F 3 .   ? 13.02685  36.45983 -26.92650 1.000 72.16104 ? 205 NA  A NA   1 
HETATM 1520 NA NA   . NA  G 3 .   ? 20.28244  34.89121 -26.36126 1.000 67.03718 ? 206 NA  A NA   1 
HETATM 1521 NA NA   . NA  H 3 .   ? 12.68673  1.73873  -16.28663 1.000 75.56715 ? 207 NA  A NA   1 
HETATM 1522 NA NA   . NA  I 3 .   ? 26.47485  7.08978  -8.94717  1.000 71.61222 ? 208 NA  A NA   1 
HETATM 1523 NA NA   . NA  J 3 .   ? 28.44096  7.35218  -17.39018 1.000 82.01243 ? 209 NA  A NA   1 
HETATM 1524 NA NA   . NA  K 3 .   ? 4.86448   11.81585 -4.60723  1.000 74.85320 ? 210 NA  A NA   1 
HETATM 1525 NA NA   . NA  L 3 .   ? -3.40866  17.95452 -0.90285  1.000 71.67567 ? 211 NA  A NA   1 
HETATM 1526 O  O    . HOH M 4 .   ? 14.20197  6.14036  -11.07286 1.000 51.82698 ? 301 HOH A O    1 
HETATM 1527 O  O    . HOH M 4 .   ? 4.68100   8.75066  -19.11766 1.000 55.04790 ? 302 HOH A O    1 
HETATM 1528 O  O    . HOH M 4 .   ? -9.69283  26.69166 -18.43285 1.000 48.90220 ? 303 HOH A O    1 
HETATM 1529 O  O    . HOH M 4 .   ? -6.67489  32.37882 -23.72616 1.000 45.41841 ? 304 HOH A O    1 
HETATM 1530 O  O    . HOH M 4 .   ? 5.03611   36.81684 -21.39806 1.000 48.33954 ? 305 HOH A O    1 
HETATM 1531 O  O    . HOH M 4 .   ? 13.36682  36.06298 -4.11379  1.000 51.60745 ? 306 HOH A O    1 
HETATM 1532 O  O    . HOH M 4 .   ? -6.34754  14.70079 -12.98102 1.000 55.53021 ? 307 HOH A O    1 
HETATM 1533 O  O    . HOH M 4 .   ? -11.866   27.876   -23.525   1.000 54.02603 ? 308 HOH A O    1 
HETATM 1534 O  O    . HOH M 4 .   ? 11.51734  6.16314  -11.49430 1.000 51.87286 ? 309 HOH A O    1 
HETATM 1535 O  O    . HOH M 4 .   ? -0.53276  31.70537 -18.45581 1.000 44.68058 ? 310 HOH A O    1 
HETATM 1536 O  O    . HOH M 4 .   ? 20.26964  27.29134 -30.18550 1.000 45.32499 ? 311 HOH A O    1 
HETATM 1537 O  O    . HOH M 4 .   ? 8.60235   40.21937 -23.13667 1.000 62.25565 ? 312 HOH A O    1 
HETATM 1538 O  O    . HOH M 4 .   ? 22.13548  28.92536 -7.26798  1.000 49.06023 ? 313 HOH A O    1 
HETATM 1539 O  O    . HOH M 4 .   ? 14.40909  9.36123  -28.39968 1.000 41.96131 ? 314 HOH A O    1 
HETATM 1540 O  O    . HOH M 4 .   ? 19.59523  29.43432 -27.63655 1.000 40.74593 ? 315 HOH A O    1 
HETATM 1541 O  O    . HOH M 4 .   ? 10.99028  6.48058  -20.78794 1.000 55.83596 ? 316 HOH A O    1 
HETATM 1542 O  O    . HOH M 4 .   ? 15.38753  26.67892 -8.85796  1.000 36.59962 ? 317 HOH A O    1 
HETATM 1543 O  O    . HOH M 4 .   ? -3.71837  19.19342 -9.24341  1.000 48.40734 ? 318 HOH A O    1 
HETATM 1544 O  O    . HOH M 4 .   ? 7.51154   18.65163 -9.36428  1.000 36.53862 ? 319 HOH A O    1 
HETATM 1545 O  O    . HOH M 4 .   ? 25.60572  17.89248 -7.83900  1.000 42.44164 ? 320 HOH A O    1 
HETATM 1546 O  O    . HOH M 4 .   ? 10.21702  15.23458 -26.10907 1.000 40.11215 ? 321 HOH A O    1 
HETATM 1547 O  O    . HOH M 4 .   ? -1.14273  22.45128 -1.65686  1.000 46.95863 ? 322 HOH A O    1 
HETATM 1548 O  O    . HOH M 4 .   ? 23.63974  20.19945 -2.21477  1.000 51.23700 ? 323 HOH A O    1 
HETATM 1549 O  O    . HOH M 4 .   ? 19.19075  29.77855 -8.21903  1.000 38.45594 ? 324 HOH A O    1 
HETATM 1550 O  O    . HOH M 4 .   ? 23.49802  23.74618 -4.81979  1.000 44.91928 ? 325 HOH A O    1 
HETATM 1551 O  O    . HOH M 4 .   ? 17.88176  6.52567  -2.54002  1.000 61.21178 ? 326 HOH A O    1 
HETATM 1552 O  O    . HOH M 4 .   ? 1.41865   16.83375 -5.16993  1.000 46.78048 ? 327 HOH A O    1 
HETATM 1553 O  O    . HOH M 4 .   ? -2.86682  16.76291 -20.22348 1.000 41.90750 ? 328 HOH A O    1 
HETATM 1554 O  O    . HOH M 4 .   ? 13.93906  18.30157 -34.38895 1.000 48.23780 ? 329 HOH A O    1 
HETATM 1555 O  O    . HOH M 4 .   ? 5.38742   16.56643 -5.28880  1.000 43.69174 ? 330 HOH A O    1 
HETATM 1556 O  O    . HOH M 4 .   ? -4.45054  12.85195 -12.75240 1.000 51.98004 ? 331 HOH A O    1 
HETATM 1557 O  O    . HOH M 4 .   ? 7.10303   39.98406 -18.89585 1.000 53.56969 ? 332 HOH A O    1 
HETATM 1558 O  O    . HOH M 4 .   ? 24.44238  31.64511 -11.57825 1.000 59.90782 ? 333 HOH A O    1 
HETATM 1559 O  O    . HOH M 4 .   ? 2.50738   32.14274 -12.85430 1.000 51.06519 ? 334 HOH A O    1 
HETATM 1560 O  O    . HOH M 4 .   ? -1.80083  7.12155  -17.23740 1.000 63.01905 ? 335 HOH A O    1 
HETATM 1561 O  O    . HOH M 4 .   ? 1.07828   35.31608 -14.48073 1.000 56.90643 ? 336 HOH A O    1 
HETATM 1562 O  O    . HOH M 4 .   ? 10.32195  13.13917 -17.06068 1.000 40.93478 ? 337 HOH A O    1 
HETATM 1563 O  O    . HOH M 4 .   ? -6.18767  27.88087 -16.34314 1.000 46.68136 ? 338 HOH A O    1 
HETATM 1564 O  O    . HOH M 4 .   ? 25.52239  29.09519 -19.82527 1.000 44.35237 ? 339 HOH A O    1 
HETATM 1565 O  O    . HOH M 4 .   ? 23.07139  25.25391 -20.53219 1.000 37.49285 ? 340 HOH A O    1 
HETATM 1566 O  O    . HOH M 4 .   ? 16.63566  20.07017 -23.98965 1.000 38.60495 ? 341 HOH A O    1 
HETATM 1567 O  O    . HOH M 4 .   ? 19.62290  34.44373 -5.70965  1.000 52.73787 ? 342 HOH A O    1 
HETATM 1568 O  O    . HOH M 4 .   ? -9.14717  26.51248 -21.02460 1.000 44.93146 ? 343 HOH A O    1 
HETATM 1569 O  O    . HOH M 4 .   ? 4.88888   20.70976 1.80900   1.000 44.14274 ? 344 HOH A O    1 
HETATM 1570 O  O    . HOH M 4 .   ? 0.27188   36.60018 -26.37557 1.000 55.82205 ? 345 HOH A O    1 
HETATM 1571 O  O    . HOH M 4 .   ? 3.71663   35.82416 -14.26011 1.000 46.63889 ? 346 HOH A O    1 
HETATM 1572 O  O    . HOH M 4 .   ? -5.36625  28.05022 -13.57600 1.000 44.56573 ? 347 HOH A O    1 
HETATM 1573 O  O    . HOH M 4 .   ? 8.44086   22.42755 -15.55733 1.000 38.44022 ? 348 HOH A O    1 
HETATM 1574 O  O    . HOH M 4 .   ? 26.52979  12.23347 -24.32544 1.000 58.45618 ? 349 HOH A O    1 
HETATM 1575 O  O    . HOH M 4 .   ? 23.79214  7.01263  -10.95046 1.000 58.11840 ? 350 HOH A O    1 
HETATM 1576 O  O    . HOH M 4 .   ? 17.07829  17.83159 -22.94643 1.000 40.19573 ? 351 HOH A O    1 
HETATM 1577 O  O    . HOH M 4 .   ? 18.13888  7.74580  -30.50511 1.000 49.43089 ? 352 HOH A O    1 
HETATM 1578 O  O    . HOH M 4 .   ? 17.80997  10.35165 -7.64892  1.000 43.35541 ? 353 HOH A O    1 
HETATM 1579 O  O    . HOH M 4 .   ? 26.22032  10.47804 -20.84427 1.000 51.14281 ? 354 HOH A O    1 
HETATM 1580 O  O    . HOH M 4 .   ? 11.59551  8.63078  -28.06406 1.000 51.69264 ? 355 HOH A O    1 
HETATM 1581 O  O    . HOH M 4 .   ? 27.34358  28.40634 -12.66314 1.000 39.74195 ? 356 HOH A O    1 
HETATM 1582 O  O    . HOH M 4 .   ? 28.34230  19.37351 -6.21760  1.000 54.58270 ? 357 HOH A O    1 
HETATM 1583 O  O    . HOH M 4 .   ? 7.65892   29.87481 -27.52832 1.000 47.00501 ? 358 HOH A O    1 
HETATM 1584 O  O    . HOH M 4 .   ? 21.22761  17.26410 -29.47833 1.000 48.08919 ? 359 HOH A O    1 
HETATM 1585 O  O    . HOH M 4 .   ? 24.07372  30.62916 -8.52617  1.000 51.51830 ? 360 HOH A O    1 
HETATM 1586 O  O    . HOH M 4 .   ? 0.92460   13.10457 -8.74995  1.000 47.94760 ? 361 HOH A O    1 
HETATM 1587 O  O    . HOH M 4 .   ? 23.320    17.510   -27.078   1.000 53.19949 ? 362 HOH A O    1 
HETATM 1588 O  O    . HOH M 4 .   ? 3.59097   14.82223 -23.43487 1.000 52.12751 ? 363 HOH A O    1 
HETATM 1589 O  O    . HOH M 4 .   ? 3.44214   9.03963  -13.56024 1.000 60.48243 ? 364 HOH A O    1 
HETATM 1590 O  O    . HOH M 4 .   ? 24.94676  30.00121 -22.48140 1.000 43.37402 ? 365 HOH A O    1 
HETATM 1591 O  O    . HOH M 4 .   ? 20.61060  24.91023 -20.27987 1.000 37.93474 ? 366 HOH A O    1 
HETATM 1592 O  O    . HOH M 4 .   ? 0.64762   29.26233 -9.55636  1.000 48.17230 ? 367 HOH A O    1 
HETATM 1593 O  O    . HOH M 4 .   ? 6.53597   22.93796 0.21026   1.000 43.91108 ? 368 HOH A O    1 
HETATM 1594 O  O    . HOH M 4 .   ? -10.02301 16.04607 -11.65130 1.000 66.97167 ? 369 HOH A O    1 
HETATM 1595 O  O    . HOH M 4 .   ? 11.17845  18.85975 -31.99507 1.000 44.76039 ? 370 HOH A O    1 
HETATM 1596 O  O    . HOH M 4 .   ? -3.51958  21.22965 -11.38736 1.000 41.95547 ? 371 HOH A O    1 
HETATM 1597 O  O    . HOH M 4 .   ? 3.74867   14.30494 -8.25134  1.000 52.85447 ? 372 HOH A O    1 
HETATM 1598 O  O    . HOH M 4 .   ? 5.10607   17.07647 -30.79798 1.000 49.02909 ? 373 HOH A O    1 
HETATM 1599 O  O    . HOH M 4 .   ? -7.65382  31.71898 -16.85058 1.000 48.53790 ? 374 HOH A O    1 
HETATM 1600 O  O    . HOH M 4 .   ? -1.65868  31.56592 -12.14923 1.000 57.75234 ? 375 HOH A O    1 
HETATM 1601 O  O    . HOH M 4 .   ? 22.99011  8.79641  -28.24340 1.000 55.78406 ? 376 HOH A O    1 
HETATM 1602 O  O    . HOH M 4 .   ? 16.83366  3.26989  -8.63858  1.000 57.35325 ? 377 HOH A O    1 
HETATM 1603 O  O    . HOH M 4 .   ? -15.02039 23.83601 -25.63474 1.000 46.11836 ? 378 HOH A O    1 
HETATM 1604 O  O    . HOH M 4 .   ? 22.11902  6.13818  -19.51432 1.000 53.18971 ? 379 HOH A O    1 
HETATM 1605 O  O    . HOH M 4 .   ? 27.26211  17.19299 -11.48492 1.000 46.33078 ? 380 HOH A O    1 
HETATM 1606 O  O    . HOH M 4 .   ? 29.81713  12.33446 -10.96140 1.000 59.42979 ? 381 HOH A O    1 
HETATM 1607 O  O    . HOH M 4 .   ? 25.46060  30.68189 -13.42429 1.000 55.28310 ? 382 HOH A O    1 
HETATM 1608 O  O    . HOH M 4 .   ? 0.58378   32.31292 -25.73099 1.000 45.18615 ? 383 HOH A O    1 
HETATM 1609 O  O    . HOH M 4 .   ? 6.97184   10.45401 -9.43723  1.000 38.89548 ? 384 HOH A O    1 
HETATM 1610 O  O    . HOH M 4 .   ? 14.99453  37.24112 -24.48175 1.000 54.02771 ? 385 HOH A O    1 
HETATM 1611 O  O    . HOH M 4 .   ? 23.52191  32.86199 -22.15533 1.000 54.45694 ? 386 HOH A O    1 
HETATM 1612 O  O    . HOH M 4 .   ? -3.28905  13.86839 -19.86262 1.000 53.29787 ? 387 HOH A O    1 
HETATM 1613 O  O    . HOH M 4 .   ? 28.49196  32.39332 -4.36373  1.000 74.75272 ? 388 HOH A O    1 
HETATM 1614 O  O    . HOH M 4 .   ? -0.05468  32.46422 -13.75396 1.000 51.69105 ? 389 HOH A O    1 
HETATM 1615 O  O    . HOH M 4 .   ? 10.17754  2.68951  -22.07080 1.000 62.50628 ? 390 HOH A O    1 
HETATM 1616 O  O    . HOH M 4 .   ? 12.09164  8.40950  -5.06381  1.000 42.94026 ? 391 HOH A O    1 
HETATM 1617 O  O    . HOH M 4 .   ? 20.55404  3.84044  -13.03385 1.000 52.34940 ? 392 HOH A O    1 
HETATM 1618 O  O    . HOH M 4 .   ? 23.42073  14.79219 -25.87507 1.000 42.43911 ? 393 HOH A O    1 
HETATM 1619 O  O    . HOH M 4 .   ? 19.004    34.891   0.646     1.000 56.94514 ? 394 HOH A O    1 
HETATM 1620 O  O    . HOH M 4 .   ? -12.06775 22.65613 -13.62309 1.000 56.47542 ? 395 HOH A O    1 
HETATM 1621 O  O    . HOH M 4 .   ? 20.25874  34.35529 -2.67857  1.000 50.83501 ? 396 HOH A O    1 
HETATM 1622 O  O    . HOH M 4 .   ? 28.13142  33.82752 -2.50568  1.000 71.82050 ? 397 HOH A O    1 
HETATM 1623 O  O    . HOH M 4 .   ? -3.38745  24.35064 -6.92017  1.000 51.89897 ? 398 HOH A O    1 
HETATM 1624 O  O    . HOH M 4 .   ? 24.90914  14.11051 -2.72676  1.000 61.55995 ? 399 HOH A O    1 
HETATM 1625 O  O    . HOH M 4 .   ? -7.941    35.385   -14.414   1.000 56.88645 ? 400 HOH A O    1 
HETATM 1626 O  O    . HOH M 4 .   ? -1.09051  34.30183 -25.92757 1.000 53.59171 ? 401 HOH A O    1 
HETATM 1627 O  O    . HOH M 4 .   ? 4.52851   17.07548 -39.38209 1.000 59.33724 ? 402 HOH A O    1 
HETATM 1628 O  O    . HOH M 4 .   ? -4.56923  16.56539 -6.94745  1.000 59.47139 ? 403 HOH A O    1 
HETATM 1629 O  O    . HOH M 4 .   ? 2.79624   16.52601 -30.12865 1.000 53.20928 ? 404 HOH A O    1 
HETATM 1630 O  O    . HOH M 4 .   ? -2.80156  11.80050 -23.64208 1.000 63.63657 ? 405 HOH A O    1 
HETATM 1631 O  O    . HOH M 4 .   ? 17.30100  2.60944  -24.82901 1.000 58.59106 ? 406 HOH A O    1 
HETATM 1632 O  O    . HOH M 4 .   ? -7.75967  24.44068 -5.61233  1.000 53.21624 ? 407 HOH A O    1 
HETATM 1633 O  O    . HOH M 4 .   ? 5.63757   10.14780 -15.69247 1.000 56.81533 ? 408 HOH A O    1 
HETATM 1634 O  O    . HOH M 4 .   ? 10.16070  10.10857 -26.46793 1.000 55.73106 ? 409 HOH A O    1 
HETATM 1635 O  O    . HOH M 4 .   ? 7.79207   31.48152 -4.35890  1.000 49.32828 ? 410 HOH A O    1 
HETATM 1636 O  O    . HOH M 4 .   ? -8.02508  18.56014 -6.61900  1.000 59.30084 ? 411 HOH A O    1 
HETATM 1637 O  O    . HOH M 4 .   ? 7.43654   12.43533 -2.12336  1.000 59.58691 ? 412 HOH A O    1 
HETATM 1638 O  O    . HOH M 4 .   ? 13.80428  37.74008 -10.76609 1.000 64.42562 ? 413 HOH A O    1 
HETATM 1639 O  O    . HOH M 4 .   ? 30.452    21.626   -13.086   1.000 55.76219 ? 414 HOH A O    1 
HETATM 1640 O  O    . HOH M 4 .   ? 20.62760  8.13123  -29.63113 1.000 56.14842 ? 415 HOH A O    1 
HETATM 1641 O  O    . HOH M 4 .   ? 25.02635  17.63024 -3.39957  1.000 61.63463 ? 416 HOH A O    1 
HETATM 1642 O  O    . HOH M 4 .   ? 16.101    20.968   -30.895   1.000 47.83949 ? 417 HOH A O    1 
HETATM 1643 O  O    . HOH M 4 .   ? 19.744    7.581    -0.106    1.000 64.87362 ? 418 HOH A O    1 
HETATM 1644 O  O    . HOH M 4 .   ? 7.37321   27.62268 -5.61731  1.000 52.39879 ? 419 HOH A O    1 
HETATM 1645 O  O    . HOH M 4 .   ? 21.08934  1.42994  -19.64718 1.000 68.25551 ? 420 HOH A O    1 
HETATM 1646 O  O    . HOH M 4 .   ? 19.83473  35.44462 -23.14365 1.000 62.46745 ? 421 HOH A O    1 
HETATM 1647 O  O    . HOH M 4 .   ? 10.82771  36.78493 -4.73828  1.000 50.83780 ? 422 HOH A O    1 
HETATM 1648 O  O    . HOH M 4 .   ? 17.31449  37.86581 -24.33600 1.000 59.97371 ? 423 HOH A O    1 
HETATM 1649 O  O    . HOH M 4 .   ? 5.79387   19.67171 -32.59570 1.000 55.93794 ? 424 HOH A O    1 
HETATM 1650 O  O    . HOH M 4 .   ? 15.44126  7.68661  -30.02410 1.000 48.36883 ? 425 HOH A O    1 
HETATM 1651 O  O    . HOH M 4 .   ? 14.630    7.459    0.720     1.000 60.22344 ? 426 HOH A O    1 
HETATM 1652 O  O    . HOH M 4 .   ? -0.20819  33.15953 -32.91677 1.000 59.02963 ? 427 HOH A O    1 
HETATM 1653 O  O    . HOH M 4 .   ? 22.968    15.649   -30.804   1.000 56.85891 ? 428 HOH A O    1 
HETATM 1654 O  O    . HOH M 4 .   ? 16.45467  37.64359 -7.55224  1.000 53.67793 ? 429 HOH A O    1 
HETATM 1655 O  O    . HOH M 4 .   ? 3.38809   28.66788 -0.37660  1.000 59.65801 ? 430 HOH A O    1 
HETATM 1656 O  O    . HOH M 4 .   ? 1.30398   10.47566 -9.22712  1.000 58.27056 ? 431 HOH A O    1 
HETATM 1657 O  O    . HOH M 4 .   ? -11.105   38.265   -18.636   1.000 54.92812 ? 432 HOH A O    1 
HETATM 1658 O  O    . HOH M 4 .   ? 22.13164  9.54868  -31.68753 1.000 59.27699 ? 433 HOH A O    1 
HETATM 1659 O  O    . HOH M 4 .   ? 4.38289   11.45474 -7.61468  1.000 57.43912 ? 434 HOH A O    1 
HETATM 1660 O  O    . HOH M 4 .   ? 6.76891   8.55148  -12.14395 1.000 55.42414 ? 435 HOH A O    1 
HETATM 1661 O  O    . HOH M 4 .   ? -11.57781 24.06430 -21.35675 1.000 56.15170 ? 436 HOH A O    1 
HETATM 1662 O  O    . HOH M 4 .   ? 3.42525   15.16711 -5.68684  1.000 47.36510 ? 437 HOH A O    1 
HETATM 1663 O  O    . HOH M 4 .   ? 9.92201   24.77352 -30.77353 1.000 50.23065 ? 438 HOH A O    1 
HETATM 1664 O  O    . HOH M 4 .   ? 2.45351   16.13817 -27.77448 1.000 52.16969 ? 439 HOH A O    1 
HETATM 1665 O  O    . HOH M 4 .   ? 24.97289  22.89591 -1.72519  1.000 55.89894 ? 440 HOH A O    1 
HETATM 1666 O  O    . HOH M 4 .   ? 7.00676   9.61770  -14.65558 1.000 52.83428 ? 441 HOH A O    1 
HETATM 1667 O  O    . HOH M 4 .   ? -12.29691 27.57632 -17.24706 1.000 59.35624 ? 442 HOH A O    1 
HETATM 1668 O  O    . HOH M 4 .   ? -3.05723  15.98525 -4.26708  1.000 64.34673 ? 443 HOH A O    1 
HETATM 1669 O  O    . HOH M 4 .   ? 12.846    6.913    -1.362    1.000 57.95978 ? 444 HOH A O    1 
HETATM 1670 O  O    . HOH M 4 .   ? 7.92987   11.92112 -15.57166 1.000 46.85022 ? 445 HOH A O    1 
HETATM 1671 O  O    . HOH M 4 .   ? 7.06718   8.16905  -16.57307 1.000 63.78826 ? 446 HOH A O    1 
HETATM 1672 O  O    . HOH M 4 .   ? 22.89137  3.33396  -21.14080 1.000 65.46663 ? 447 HOH A O    1 
HETATM 1673 O  O    . HOH M 4 .   ? 19.03109  38.50341 -12.06441 1.000 64.58423 ? 448 HOH A O    1 
HETATM 1674 O  O    . HOH M 4 .   ? 10.65018  3.94149  -12.25622 1.000 55.08813 ? 449 HOH A O    1 
HETATM 1675 O  O    . HOH M 4 .   ? 30.49183  26.87305 -6.24805  1.000 65.99209 ? 450 HOH A O    1 
HETATM 1676 O  O    . HOH M 4 .   ? 2.40852   12.54128 -4.60129  1.000 63.21259 ? 451 HOH A O    1 
HETATM 1677 O  O    . HOH M 4 .   ? 17.15933  40.81760 -13.99238 1.000 67.56024 ? 452 HOH A O    1 
HETATM 1678 O  O    . HOH M 4 .   ? 23.34414  14.77874 -0.39910  1.000 59.23016 ? 453 HOH A O    1 
HETATM 1679 O  O    . HOH M 4 .   ? 9.81151   18.72178 -36.28392 1.000 62.35613 ? 454 HOH A O    1 
# 
