data_7HNR
# 
_entry.id   7HNR 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.399 
_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   7HNR         pdb_00007hnr 10.2210/pdb7hnr/pdb 
WWPDB D_1001407705 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2024-11-27 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_database_status.entry_id                        7HNR 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
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 'E3 ubiquitin-protein ligase TRIM21'                    21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn '(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide' 239.698   1   ?        ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL                                          62.068    1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                           96.063    1   ?        ? ? ? 
5 water       nat water                                                   18.015    140 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_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       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide' NTV 
3 1,2-ETHANEDIOL                                          EDO 
4 'SULFATE ION'                                           SO4 
5 water                                                   HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET 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                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_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      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                                                 ?                 'C3 H7 N O2'      89.093  
ARG 'L-peptide linking' y ARGININE                                                ?                 'C6 H15 N4 O2 1'  175.209 
ASN 'L-peptide linking' y ASPARAGINE                                              ?                 'C4 H8 N2 O3'     132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                                         ?                 'C4 H7 N O4'      133.103 
CYS 'L-peptide linking' y CYSTEINE                                                ?                 'C3 H7 N O2 S'    121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                                          'ETHYLENE GLYCOL' 'C2 H6 O2'        62.068  
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 
NTV non-polymer         . '(2S)-N-(3-chloro-2-methylphenyl)oxolane-2-carboxamide' ?                 'C12 H14 Cl N O2' 239.698 
PHE 'L-peptide linking' y PHENYLALANINE                                           ?                 'C9 H11 N O2'     165.189 
PRO 'L-peptide linking' y PROLINE                                                 ?                 'C5 H9 N O2'      115.130 
SER 'L-peptide linking' y SERINE                                                  ?                 'C3 H7 N O3'      105.093 
SO4 non-polymer         . 'SULFATE ION'                                           ?                 'O4 S -2'         96.063  
THR 'L-peptide linking' y THREONINE                                               ?                 'C4 H9 N O3'      119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                                              ?                 'C11 H12 N2 O2'   204.225 
TYR 'L-peptide linking' y TYROSINE                                                ?                 'C9 H11 N O3'     181.189 
VAL 'L-peptide linking' y VALINE                                                  ?                 'C5 H11 N O2'     117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        NTV 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   NTV 
_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 NTV 1   401 401 NTV LIG B . 
C 3 EDO 1   402 305 EDO EDO B . 
D 4 SO4 1   403 1   SO4 SO4 B . 
E 5 HOH 1   501 9   HOH HOH B . 
E 5 HOH 2   502 11  HOH HOH B . 
E 5 HOH 3   503 12  HOH HOH B . 
E 5 HOH 4   504 26  HOH HOH B . 
E 5 HOH 5   505 29  HOH HOH B . 
E 5 HOH 6   506 99  HOH HOH B . 
E 5 HOH 7   507 40  HOH HOH B . 
E 5 HOH 8   508 33  HOH HOH B . 
E 5 HOH 9   509 2   HOH HOH B . 
E 5 HOH 10  510 85  HOH HOH B . 
E 5 HOH 11  511 16  HOH HOH B . 
E 5 HOH 12  512 21  HOH HOH B . 
E 5 HOH 13  513 1   HOH HOH B . 
E 5 HOH 14  514 51  HOH HOH B . 
E 5 HOH 15  515 63  HOH HOH B . 
E 5 HOH 16  516 184 HOH HOH B . 
E 5 HOH 17  517 10  HOH HOH B . 
E 5 HOH 18  518 90  HOH HOH B . 
E 5 HOH 19  519 27  HOH HOH B . 
E 5 HOH 20  520 95  HOH HOH B . 
E 5 HOH 21  521 5   HOH HOH B . 
E 5 HOH 22  522 80  HOH HOH B . 
E 5 HOH 23  523 11  HOH HOH B . 
E 5 HOH 24  524 16  HOH HOH B . 
E 5 HOH 25  525 34  HOH HOH B . 
E 5 HOH 26  526 31  HOH HOH B . 
E 5 HOH 27  527 70  HOH HOH B . 
E 5 HOH 28  528 18  HOH HOH B . 
E 5 HOH 29  529 102 HOH HOH B . 
E 5 HOH 30  530 58  HOH HOH B . 
E 5 HOH 31  531 4   HOH HOH B . 
E 5 HOH 32  532 36  HOH HOH B . 
E 5 HOH 33  533 39  HOH HOH B . 
E 5 HOH 34  534 2   HOH HOH B . 
E 5 HOH 35  535 22  HOH HOH B . 
E 5 HOH 36  536 125 HOH HOH B . 
E 5 HOH 37  537 25  HOH HOH B . 
E 5 HOH 38  538 81  HOH HOH B . 
E 5 HOH 39  539 89  HOH HOH B . 
E 5 HOH 40  540 29  HOH HOH B . 
E 5 HOH 41  541 267 HOH HOH B . 
E 5 HOH 42  542 27  HOH HOH B . 
E 5 HOH 43  543 50  HOH HOH B . 
E 5 HOH 44  544 157 HOH HOH B . 
E 5 HOH 45  545 20  HOH HOH B . 
E 5 HOH 46  546 28  HOH HOH B . 
E 5 HOH 47  547 26  HOH HOH B . 
E 5 HOH 48  548 68  HOH HOH B . 
E 5 HOH 49  549 7   HOH HOH B . 
E 5 HOH 50  550 264 HOH HOH B . 
E 5 HOH 51  551 5   HOH HOH B . 
E 5 HOH 52  552 47  HOH HOH B . 
E 5 HOH 53  553 14  HOH HOH B . 
E 5 HOH 54  554 86  HOH HOH B . 
E 5 HOH 55  555 43  HOH HOH B . 
E 5 HOH 56  556 10  HOH HOH B . 
E 5 HOH 57  557 15  HOH HOH B . 
E 5 HOH 58  558 76  HOH HOH B . 
E 5 HOH 59  559 72  HOH HOH B . 
E 5 HOH 60  560 211 HOH HOH B . 
E 5 HOH 61  561 55  HOH HOH B . 
E 5 HOH 62  562 61  HOH HOH B . 
E 5 HOH 63  563 6   HOH HOH B . 
E 5 HOH 64  564 3   HOH HOH B . 
E 5 HOH 65  565 71  HOH HOH B . 
E 5 HOH 66  566 19  HOH HOH B . 
E 5 HOH 67  567 59  HOH HOH B . 
E 5 HOH 68  568 100 HOH HOH B . 
E 5 HOH 69  569 30  HOH HOH B . 
E 5 HOH 70  570 1   HOH HOH B . 
E 5 HOH 71  571 62  HOH HOH B . 
E 5 HOH 72  572 33  HOH HOH B . 
E 5 HOH 73  573 126 HOH HOH B . 
E 5 HOH 74  574 22  HOH HOH B . 
E 5 HOH 75  575 4   HOH HOH B . 
E 5 HOH 76  576 172 HOH HOH B . 
E 5 HOH 77  577 93  HOH HOH B . 
E 5 HOH 78  578 8   HOH HOH B . 
E 5 HOH 79  579 137 HOH HOH B . 
E 5 HOH 80  580 42  HOH HOH B . 
E 5 HOH 81  581 304 HOH HOH B . 
E 5 HOH 82  582 214 HOH HOH B . 
E 5 HOH 83  583 64  HOH HOH B . 
E 5 HOH 84  584 24  HOH HOH B . 
E 5 HOH 85  585 17  HOH HOH B . 
E 5 HOH 86  586 32  HOH HOH B . 
E 5 HOH 87  587 3   HOH HOH B . 
E 5 HOH 88  588 73  HOH HOH B . 
E 5 HOH 89  589 46  HOH HOH B . 
E 5 HOH 90  590 48  HOH HOH B . 
E 5 HOH 91  591 97  HOH HOH B . 
E 5 HOH 92  592 303 HOH HOH B . 
E 5 HOH 93  593 263 HOH HOH B . 
E 5 HOH 94  594 23  HOH HOH B . 
E 5 HOH 95  595 60  HOH HOH B . 
E 5 HOH 96  596 32  HOH HOH B . 
E 5 HOH 97  597 25  HOH HOH B . 
E 5 HOH 98  598 45  HOH HOH B . 
E 5 HOH 99  599 56  HOH HOH B . 
E 5 HOH 100 600 12  HOH HOH B . 
E 5 HOH 101 601 120 HOH HOH B . 
E 5 HOH 102 602 8   HOH HOH B . 
E 5 HOH 103 603 20  HOH HOH B . 
E 5 HOH 104 604 13  HOH HOH B . 
E 5 HOH 105 605 49  HOH HOH B . 
E 5 HOH 106 606 112 HOH HOH B . 
E 5 HOH 107 607 38  HOH HOH B . 
E 5 HOH 108 608 54  HOH HOH B . 
E 5 HOH 109 609 7   HOH HOH B . 
E 5 HOH 110 610 57  HOH HOH B . 
E 5 HOH 111 611 103 HOH HOH B . 
E 5 HOH 112 612 257 HOH HOH B . 
E 5 HOH 113 613 15  HOH HOH B . 
E 5 HOH 114 614 133 HOH HOH B . 
E 5 HOH 115 615 140 HOH HOH B . 
E 5 HOH 116 616 53  HOH HOH B . 
E 5 HOH 117 617 281 HOH HOH B . 
E 5 HOH 118 618 41  HOH HOH B . 
E 5 HOH 119 619 69  HOH HOH B . 
E 5 HOH 120 620 197 HOH HOH B . 
E 5 HOH 121 621 18  HOH HOH B . 
E 5 HOH 122 622 154 HOH HOH B . 
E 5 HOH 123 623 44  HOH HOH B . 
E 5 HOH 124 624 19  HOH HOH B . 
E 5 HOH 125 625 266 HOH HOH B . 
E 5 HOH 126 626 30  HOH HOH B . 
E 5 HOH 127 627 114 HOH HOH B . 
E 5 HOH 128 628 115 HOH HOH B . 
E 5 HOH 129 629 21  HOH HOH B . 
E 5 HOH 130 630 13  HOH HOH B . 
E 5 HOH 131 631 23  HOH HOH B . 
E 5 HOH 132 632 98  HOH HOH B . 
E 5 HOH 133 633 82  HOH HOH B . 
E 5 HOH 134 634 104 HOH HOH B . 
E 5 HOH 135 635 166 HOH HOH B . 
E 5 HOH 136 636 127 HOH HOH B . 
E 5 HOH 137 637 14  HOH HOH B . 
E 5 HOH 138 638 131 HOH HOH B . 
E 5 HOH 139 639 270 HOH HOH B . 
E 5 HOH 140 640 259 HOH HOH B . 
# 
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 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HNR 
_cell.length_a           95.358 
_cell.length_b           95.358 
_cell.length_c           45.773 
_cell.angle_alpha        90.000 
_cell.angle_beta         90.000 
_cell.angle_gamma        90.000 
_cell.Z_PDB              8 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.entry_id                         7HNR 
_symmetry.space_group_name_H-M             'I 4' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                79 
# 
_exptl.crystals_number   1 
_exptl.entry_id          7HNR 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.94 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-04 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HNR 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.410 
_reflns.d_resolution_high            1.300 
_reflns.number_obs                   50408 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         99.500 
_reflns.pdbx_Rmerge_I_obs            0.080 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        15.500 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.200 
_reflns.pdbx_Rrim_I_all              0.084 
_reflns.pdbx_Rpim_I_all              0.024 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     563024 
_reflns.pdbx_scaling_rejects         0 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.300 1.320  ? 9280 2363 ? 1.466 ? ? ? 3.900  ? 0.400  ? ? ? ? ? ? 93.400 1.706 0.834 0.284 
1 2 7.120 67.410 ? 4156 340  ? 0.030 ? ? ? 12.200 ? 96.300 ? ? ? ? ? ? 99.900 0.031 0.009 1.000 
# 
_refine.entry_id                                 7HNR 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3000 
_refine.ls_d_res_low                             67.4300 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.3100 
_refine.ls_number_reflns_obs                     47919 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.ls_matrix_type                           ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.details                                  
'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS U VALUES      : REFINED INDIVIDUALLY' 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1802 
_refine.ls_R_factor_R_work                       0.1790 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2019 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2427 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               17.4060 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.2400 
_refine.aniso_B[2][2]                            0.2400 
_refine.aniso_B[3][3]                            -0.4800 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9710 
_refine.correlation_coeff_Fo_to_Fc_free          0.9630 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0520 
_refine.pdbx_overall_ESU_R_Free                  0.0540 
_refine.overall_SU_ML                            0.0470 
_refine.overall_SU_B                             1.2360 
_refine.solvent_model_details                    MASK 
_refine.pdbx_solvent_vdw_probe_radii             1.2000 
_refine.pdbx_solvent_ion_probe_radii             0.8000 
_refine.pdbx_solvent_shrinkage_radii             0.8000 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          'FOURIER SYNTHESIS' 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.B_iso_max                                89.000 
_refine.B_iso_min                                9.170 
_refine.pdbx_overall_phase_error                 ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_R_free_error_details         ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.3000 
_refine_hist.d_res_low                        67.4300 
_refine_hist.pdbx_number_atoms_ligand         25 
_refine_hist.number_atoms_solvent             140 
_refine_hist.number_atoms_total               1658 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           31.12 
_refine_hist.pdbx_B_iso_mean_solvent          28.59 
_refine_hist.pdbx_number_atoms_protein        1493 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.type 
_refine_ls_restr.number 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' r_bond_refined_d       2059 0.012  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1640 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2571 1.814  1.639  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3787 1.466  1.578  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  7.129  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 110  27.143 21.182 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 288  12.001 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.112 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         222  0.090  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2295 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     515  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            971  1.520  1.585  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         961  1.519  1.554  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 2.429  2.336  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3000 
_refine_ls_shell.d_res_low                        1.3340 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               92.3200 
_refine_ls_shell.number_reflns_R_work             3284 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3590 
_refine_ls_shell.R_factor_R_free                  0.3970 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             167 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3451 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HNR 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1545312521' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNR 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HNR 
_struct_ref_seq.pdbx_strand_id                B 
_struct_ref_seq.seq_align_beg                 9 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 188 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             Q62191 
_struct_ref_seq.db_align_beg                  291 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  470 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       15 
_struct_ref_seq.pdbx_auth_seq_align_end       194 
# 
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 7HNR MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNR HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNR HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNR HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNR HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNR HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNR HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNR MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_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 
# 
_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 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -2.05 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
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 
# 
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 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
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 ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA2 4 5 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HNR 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                126.03 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            14.23 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
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 ASN B 45  ? ? 71.16   35.59 
2 1 GLN B 78  ? ? 56.32   18.80 
3 1 ASP B 152 ? ? -103.17 51.21 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     627 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
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 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
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  
EDO C1   C  N N 88  
EDO O1   O  N N 89  
EDO C2   C  N N 90  
EDO O2   O  N N 91  
EDO H11  H  N N 92  
EDO H12  H  N N 93  
EDO HO1  H  N N 94  
EDO H21  H  N N 95  
EDO H22  H  N N 96  
EDO HO2  H  N N 97  
GLN N    N  N N 98  
GLN CA   C  N S 99  
GLN C    C  N N 100 
GLN O    O  N N 101 
GLN CB   C  N N 102 
GLN CG   C  N N 103 
GLN CD   C  N N 104 
GLN OE1  O  N N 105 
GLN NE2  N  N N 106 
GLN OXT  O  N N 107 
GLN H    H  N N 108 
GLN H2   H  N N 109 
GLN HA   H  N N 110 
GLN HB2  H  N N 111 
GLN HB3  H  N N 112 
GLN HG2  H  N N 113 
GLN HG3  H  N N 114 
GLN HE21 H  N N 115 
GLN HE22 H  N N 116 
GLN HXT  H  N N 117 
GLU N    N  N N 118 
GLU CA   C  N S 119 
GLU C    C  N N 120 
GLU O    O  N N 121 
GLU CB   C  N N 122 
GLU CG   C  N N 123 
GLU CD   C  N N 124 
GLU OE1  O  N N 125 
GLU OE2  O  N N 126 
GLU OXT  O  N N 127 
GLU H    H  N N 128 
GLU H2   H  N N 129 
GLU HA   H  N N 130 
GLU HB2  H  N N 131 
GLU HB3  H  N N 132 
GLU HG2  H  N N 133 
GLU HG3  H  N N 134 
GLU HE2  H  N N 135 
GLU HXT  H  N N 136 
GLY N    N  N N 137 
GLY CA   C  N N 138 
GLY C    C  N N 139 
GLY O    O  N N 140 
GLY OXT  O  N N 141 
GLY H    H  N N 142 
GLY H2   H  N N 143 
GLY HA2  H  N N 144 
GLY HA3  H  N N 145 
GLY HXT  H  N N 146 
HIS N    N  N N 147 
HIS CA   C  N S 148 
HIS C    C  N N 149 
HIS O    O  N N 150 
HIS CB   C  N N 151 
HIS CG   C  Y N 152 
HIS ND1  N  Y N 153 
HIS CD2  C  Y N 154 
HIS CE1  C  Y N 155 
HIS NE2  N  Y N 156 
HIS OXT  O  N N 157 
HIS H    H  N N 158 
HIS H2   H  N N 159 
HIS HA   H  N N 160 
HIS HB2  H  N N 161 
HIS HB3  H  N N 162 
HIS HD1  H  N N 163 
HIS HD2  H  N N 164 
HIS HE1  H  N N 165 
HIS HE2  H  N N 166 
HIS HXT  H  N N 167 
HOH O    O  N N 168 
HOH H1   H  N N 169 
HOH H2   H  N N 170 
ILE N    N  N N 171 
ILE CA   C  N S 172 
ILE C    C  N N 173 
ILE O    O  N N 174 
ILE CB   C  N S 175 
ILE CG1  C  N N 176 
ILE CG2  C  N N 177 
ILE CD1  C  N N 178 
ILE OXT  O  N N 179 
ILE H    H  N N 180 
ILE H2   H  N N 181 
ILE HA   H  N N 182 
ILE HB   H  N N 183 
ILE HG12 H  N N 184 
ILE HG13 H  N N 185 
ILE HG21 H  N N 186 
ILE HG22 H  N N 187 
ILE HG23 H  N N 188 
ILE HD11 H  N N 189 
ILE HD12 H  N N 190 
ILE HD13 H  N N 191 
ILE HXT  H  N N 192 
LEU N    N  N N 193 
LEU CA   C  N S 194 
LEU C    C  N N 195 
LEU O    O  N N 196 
LEU CB   C  N N 197 
LEU CG   C  N N 198 
LEU CD1  C  N N 199 
LEU CD2  C  N N 200 
LEU OXT  O  N N 201 
LEU H    H  N N 202 
LEU H2   H  N N 203 
LEU HA   H  N N 204 
LEU HB2  H  N N 205 
LEU HB3  H  N N 206 
LEU HG   H  N N 207 
LEU HD11 H  N N 208 
LEU HD12 H  N N 209 
LEU HD13 H  N N 210 
LEU HD21 H  N N 211 
LEU HD22 H  N N 212 
LEU HD23 H  N N 213 
LEU HXT  H  N N 214 
LYS N    N  N N 215 
LYS CA   C  N S 216 
LYS C    C  N N 217 
LYS O    O  N N 218 
LYS CB   C  N N 219 
LYS CG   C  N N 220 
LYS CD   C  N N 221 
LYS CE   C  N N 222 
LYS NZ   N  N N 223 
LYS OXT  O  N N 224 
LYS H    H  N N 225 
LYS H2   H  N N 226 
LYS HA   H  N N 227 
LYS HB2  H  N N 228 
LYS HB3  H  N N 229 
LYS HG2  H  N N 230 
LYS HG3  H  N N 231 
LYS HD2  H  N N 232 
LYS HD3  H  N N 233 
LYS HE2  H  N N 234 
LYS HE3  H  N N 235 
LYS HZ1  H  N N 236 
LYS HZ2  H  N N 237 
LYS HZ3  H  N N 238 
LYS HXT  H  N N 239 
MET N    N  N N 240 
MET CA   C  N S 241 
MET C    C  N N 242 
MET O    O  N N 243 
MET CB   C  N N 244 
MET CG   C  N N 245 
MET SD   S  N N 246 
MET CE   C  N N 247 
MET OXT  O  N N 248 
MET H    H  N N 249 
MET H2   H  N N 250 
MET HA   H  N N 251 
MET HB2  H  N N 252 
MET HB3  H  N N 253 
MET HG2  H  N N 254 
MET HG3  H  N N 255 
MET HE1  H  N N 256 
MET HE2  H  N N 257 
MET HE3  H  N N 258 
MET HXT  H  N N 259 
NTV N1   N  N N 260 
NTV C4   C  Y N 261 
NTV C5   C  Y N 262 
NTV C6   C  Y N 263 
NTV C7   C  Y N 264 
NTV C8   C  N N 265 
NTV C10  C  N N 266 
NTV C1   C  N N 267 
NTV C11  C  N N 268 
NTV C12  C  N N 269 
NTV C2   C  Y N 270 
NTV C3   C  Y N 271 
NTV C9   C  N S 272 
NTV O1   O  N N 273 
NTV O2   O  N N 274 
NTV CL1  CL N N 275 
NTV H1   H  N N 276 
NTV H2   H  N N 277 
NTV H3   H  N N 278 
NTV H4   H  N N 279 
NTV H5   H  N N 280 
NTV H6   H  N N 281 
NTV H7   H  N N 282 
NTV H8   H  N N 283 
NTV H9   H  N N 284 
NTV H10  H  N N 285 
NTV H11  H  N N 286 
NTV H12  H  N N 287 
NTV H13  H  N N 288 
NTV H14  H  N N 289 
PHE N    N  N N 290 
PHE CA   C  N S 291 
PHE C    C  N N 292 
PHE O    O  N N 293 
PHE CB   C  N N 294 
PHE CG   C  Y N 295 
PHE CD1  C  Y N 296 
PHE CD2  C  Y N 297 
PHE CE1  C  Y N 298 
PHE CE2  C  Y N 299 
PHE CZ   C  Y N 300 
PHE OXT  O  N N 301 
PHE H    H  N N 302 
PHE H2   H  N N 303 
PHE HA   H  N N 304 
PHE HB2  H  N N 305 
PHE HB3  H  N N 306 
PHE HD1  H  N N 307 
PHE HD2  H  N N 308 
PHE HE1  H  N N 309 
PHE HE2  H  N N 310 
PHE HZ   H  N N 311 
PHE HXT  H  N N 312 
PRO N    N  N N 313 
PRO CA   C  N S 314 
PRO C    C  N N 315 
PRO O    O  N N 316 
PRO CB   C  N N 317 
PRO CG   C  N N 318 
PRO CD   C  N N 319 
PRO OXT  O  N N 320 
PRO H    H  N N 321 
PRO HA   H  N N 322 
PRO HB2  H  N N 323 
PRO HB3  H  N N 324 
PRO HG2  H  N N 325 
PRO HG3  H  N N 326 
PRO HD2  H  N N 327 
PRO HD3  H  N N 328 
PRO HXT  H  N N 329 
SER N    N  N N 330 
SER CA   C  N S 331 
SER C    C  N N 332 
SER O    O  N N 333 
SER CB   C  N N 334 
SER OG   O  N N 335 
SER OXT  O  N N 336 
SER H    H  N N 337 
SER H2   H  N N 338 
SER HA   H  N N 339 
SER HB2  H  N N 340 
SER HB3  H  N N 341 
SER HG   H  N N 342 
SER HXT  H  N N 343 
SO4 S    S  N N 344 
SO4 O1   O  N N 345 
SO4 O2   O  N N 346 
SO4 O3   O  N N 347 
SO4 O4   O  N N 348 
THR N    N  N N 349 
THR CA   C  N S 350 
THR C    C  N N 351 
THR O    O  N N 352 
THR CB   C  N R 353 
THR OG1  O  N N 354 
THR CG2  C  N N 355 
THR OXT  O  N N 356 
THR H    H  N N 357 
THR H2   H  N N 358 
THR HA   H  N N 359 
THR HB   H  N N 360 
THR HG1  H  N N 361 
THR HG21 H  N N 362 
THR HG22 H  N N 363 
THR HG23 H  N N 364 
THR HXT  H  N N 365 
TRP N    N  N N 366 
TRP CA   C  N S 367 
TRP C    C  N N 368 
TRP O    O  N N 369 
TRP CB   C  N N 370 
TRP CG   C  Y N 371 
TRP CD1  C  Y N 372 
TRP CD2  C  Y N 373 
TRP NE1  N  Y N 374 
TRP CE2  C  Y N 375 
TRP CE3  C  Y N 376 
TRP CZ2  C  Y N 377 
TRP CZ3  C  Y N 378 
TRP CH2  C  Y N 379 
TRP OXT  O  N N 380 
TRP H    H  N N 381 
TRP H2   H  N N 382 
TRP HA   H  N N 383 
TRP HB2  H  N N 384 
TRP HB3  H  N N 385 
TRP HD1  H  N N 386 
TRP HE1  H  N N 387 
TRP HE3  H  N N 388 
TRP HZ2  H  N N 389 
TRP HZ3  H  N N 390 
TRP HH2  H  N N 391 
TRP HXT  H  N N 392 
TYR N    N  N N 393 
TYR CA   C  N S 394 
TYR C    C  N N 395 
TYR O    O  N N 396 
TYR CB   C  N N 397 
TYR CG   C  Y N 398 
TYR CD1  C  Y N 399 
TYR CD2  C  Y N 400 
TYR CE1  C  Y N 401 
TYR CE2  C  Y N 402 
TYR CZ   C  Y N 403 
TYR OH   O  N N 404 
TYR OXT  O  N N 405 
TYR H    H  N N 406 
TYR H2   H  N N 407 
TYR HA   H  N N 408 
TYR HB2  H  N N 409 
TYR HB3  H  N N 410 
TYR HD1  H  N N 411 
TYR HD2  H  N N 412 
TYR HE1  H  N N 413 
TYR HE2  H  N N 414 
TYR HH   H  N N 415 
TYR HXT  H  N N 416 
VAL N    N  N N 417 
VAL CA   C  N S 418 
VAL C    C  N N 419 
VAL O    O  N N 420 
VAL CB   C  N N 421 
VAL CG1  C  N N 422 
VAL CG2  C  N N 423 
VAL OXT  O  N N 424 
VAL H    H  N N 425 
VAL H2   H  N N 426 
VAL HA   H  N N 427 
VAL HB   H  N N 428 
VAL HG11 H  N N 429 
VAL HG12 H  N N 430 
VAL HG13 H  N N 431 
VAL HG21 H  N N 432 
VAL HG22 H  N N 433 
VAL HG23 H  N N 434 
VAL HXT  H  N N 435 
# 
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  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
NTV CL1 C3   sing N N 246 
NTV C4  C3   doub Y N 247 
NTV C4  C5   sing Y N 248 
NTV C3  C2   sing Y N 249 
NTV C5  C6   doub Y N 250 
NTV C2  C1   sing N N 251 
NTV C2  C7   doub Y N 252 
NTV C6  C7   sing Y N 253 
NTV C7  N1   sing N N 254 
NTV N1  C8   sing N N 255 
NTV C12 C11  sing N N 256 
NTV C12 O2   sing N N 257 
NTV C11 C10  sing N N 258 
NTV C8  O1   doub N N 259 
NTV C8  C9   sing N N 260 
NTV O2  C9   sing N N 261 
NTV C9  C10  sing N N 262 
NTV N1  H1   sing N N 263 
NTV C4  H2   sing N N 264 
NTV C5  H3   sing N N 265 
NTV C6  H4   sing N N 266 
NTV C10 H5   sing N N 267 
NTV C10 H6   sing N N 268 
NTV C1  H7   sing N N 269 
NTV C1  H8   sing N N 270 
NTV C1  H9   sing N N 271 
NTV C11 H10  sing N N 272 
NTV C11 H11  sing N N 273 
NTV C12 H12  sing N N 274 
NTV C12 H13  sing N N 275 
NTV C9  H14  sing N N 276 
PHE N   CA   sing N N 277 
PHE N   H    sing N N 278 
PHE N   H2   sing N N 279 
PHE CA  C    sing N N 280 
PHE CA  CB   sing N N 281 
PHE CA  HA   sing N N 282 
PHE C   O    doub N N 283 
PHE C   OXT  sing N N 284 
PHE CB  CG   sing N N 285 
PHE CB  HB2  sing N N 286 
PHE CB  HB3  sing N N 287 
PHE CG  CD1  doub Y N 288 
PHE CG  CD2  sing Y N 289 
PHE CD1 CE1  sing Y N 290 
PHE CD1 HD1  sing N N 291 
PHE CD2 CE2  doub Y N 292 
PHE CD2 HD2  sing N N 293 
PHE CE1 CZ   doub Y N 294 
PHE CE1 HE1  sing N N 295 
PHE CE2 CZ   sing Y N 296 
PHE CE2 HE2  sing N N 297 
PHE CZ  HZ   sing N N 298 
PHE OXT HXT  sing N N 299 
PRO N   CA   sing N N 300 
PRO N   CD   sing N N 301 
PRO N   H    sing N N 302 
PRO CA  C    sing N N 303 
PRO CA  CB   sing N N 304 
PRO CA  HA   sing N N 305 
PRO C   O    doub N N 306 
PRO C   OXT  sing N N 307 
PRO CB  CG   sing N N 308 
PRO CB  HB2  sing N N 309 
PRO CB  HB3  sing N N 310 
PRO CG  CD   sing N N 311 
PRO CG  HG2  sing N N 312 
PRO CG  HG3  sing N N 313 
PRO CD  HD2  sing N N 314 
PRO CD  HD3  sing N N 315 
PRO OXT HXT  sing N N 316 
SER N   CA   sing N N 317 
SER N   H    sing N N 318 
SER N   H2   sing N N 319 
SER CA  C    sing N N 320 
SER CA  CB   sing N N 321 
SER CA  HA   sing N N 322 
SER C   O    doub N N 323 
SER C   OXT  sing N N 324 
SER CB  OG   sing N N 325 
SER CB  HB2  sing N N 326 
SER CB  HB3  sing N N 327 
SER OG  HG   sing N N 328 
SER OXT HXT  sing N N 329 
SO4 S   O1   doub N N 330 
SO4 S   O2   doub N N 331 
SO4 S   O3   sing N N 332 
SO4 S   O4   sing N N 333 
THR N   CA   sing N N 334 
THR N   H    sing N N 335 
THR N   H2   sing N N 336 
THR CA  C    sing N N 337 
THR CA  CB   sing N N 338 
THR CA  HA   sing N N 339 
THR C   O    doub N N 340 
THR C   OXT  sing N N 341 
THR CB  OG1  sing N N 342 
THR CB  CG2  sing N N 343 
THR CB  HB   sing N N 344 
THR OG1 HG1  sing N N 345 
THR CG2 HG21 sing N N 346 
THR CG2 HG22 sing N N 347 
THR CG2 HG23 sing N N 348 
THR OXT HXT  sing N N 349 
TRP N   CA   sing N N 350 
TRP N   H    sing N N 351 
TRP N   H2   sing N N 352 
TRP CA  C    sing N N 353 
TRP CA  CB   sing N N 354 
TRP CA  HA   sing N N 355 
TRP C   O    doub N N 356 
TRP C   OXT  sing N N 357 
TRP CB  CG   sing N N 358 
TRP CB  HB2  sing N N 359 
TRP CB  HB3  sing N N 360 
TRP CG  CD1  doub Y N 361 
TRP CG  CD2  sing Y N 362 
TRP CD1 NE1  sing Y N 363 
TRP CD1 HD1  sing N N 364 
TRP CD2 CE2  doub Y N 365 
TRP CD2 CE3  sing Y N 366 
TRP NE1 CE2  sing Y N 367 
TRP NE1 HE1  sing N N 368 
TRP CE2 CZ2  sing Y N 369 
TRP CE3 CZ3  doub Y N 370 
TRP CE3 HE3  sing N N 371 
TRP CZ2 CH2  doub Y N 372 
TRP CZ2 HZ2  sing N N 373 
TRP CZ3 CH2  sing Y N 374 
TRP CZ3 HZ3  sing N N 375 
TRP CH2 HH2  sing N N 376 
TRP OXT HXT  sing N N 377 
TYR N   CA   sing N N 378 
TYR N   H    sing N N 379 
TYR N   H2   sing N N 380 
TYR CA  C    sing N N 381 
TYR CA  CB   sing N N 382 
TYR CA  HA   sing N N 383 
TYR C   O    doub N N 384 
TYR C   OXT  sing N N 385 
TYR CB  CG   sing N N 386 
TYR CB  HB2  sing N N 387 
TYR CB  HB3  sing N N 388 
TYR CG  CD1  doub Y N 389 
TYR CG  CD2  sing Y N 390 
TYR CD1 CE1  sing Y N 391 
TYR CD1 HD1  sing N N 392 
TYR CD2 CE2  doub Y N 393 
TYR CD2 HD2  sing N N 394 
TYR CE1 CZ   doub Y N 395 
TYR CE1 HE1  sing N N 396 
TYR CE2 CZ   sing Y N 397 
TYR CE2 HE2  sing N N 398 
TYR CZ  OH   sing N N 399 
TYR OH  HH   sing N N 400 
TYR OXT HXT  sing N N 401 
VAL N   CA   sing N N 402 
VAL N   H    sing N N 403 
VAL N   H2   sing N N 404 
VAL CA  C    sing N N 405 
VAL CA  CB   sing N N 406 
VAL CA  HA   sing N N 407 
VAL C   O    doub N N 408 
VAL C   OXT  sing N N 409 
VAL CB  CG1  sing N N 410 
VAL CB  CG2  sing N N 411 
VAL CB  HB   sing N N 412 
VAL CG1 HG11 sing N N 413 
VAL CG1 HG12 sing N N 414 
VAL CG1 HG13 sing N N 415 
VAL CG2 HG21 sing N N 416 
VAL CG2 HG22 sing N N 417 
VAL CG2 HG23 sing N N 418 
VAL OXT HXT  sing N N 419 
# 
_pdbx_audit_support.ordinal                1 
_pdbx_audit_support.funding_organization   'European Union (EU)' 
_pdbx_audit_support.grant_number           875510 
_pdbx_audit_support.country                'European Union' 
# 
_pdbx_deposit_group.group_id            G_1002320 
_pdbx_deposit_group.group_description   
;PRYSPRY domain of murine TRIM21 screened against the DSI-poised Fragment Library by X-ray Crystallography at the XChem facility of Diamon Light Source
;
_pdbx_deposit_group.group_title         'PanDDA analysis group deposition' 
_pdbx_deposit_group.group_type          'changed state' 
# 
_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   2VOK 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    7HNR 
_atom_sites.fract_transf_matrix[1][1]   0.010487 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   -0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.010487 
_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]   0.021847 
_atom_sites.fract_transf_vector[1]      0.000000 
_atom_sites.fract_transf_vector[2]      0.000000 
_atom_sites.fract_transf_vector[3]      0.000000 
# 
loop_
_atom_type.symbol 
C  
CL 
N  
O  
S  
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N  N   . HIS A 1 2   ? -13.228 -12.881 -9.981  1.00 76.95 ? 8   HIS B N   1 
ATOM   2    C  CA  . HIS A 1 2   ? -12.714 -13.490 -11.255 1.00 71.31 ? 8   HIS B CA  1 
ATOM   3    C  C   . HIS A 1 2   ? -11.589 -12.621 -11.833 1.00 72.07 ? 8   HIS B C   1 
ATOM   4    O  O   . HIS A 1 2   ? -11.471 -11.442 -11.423 1.00 78.49 ? 8   HIS B O   1 
ATOM   5    C  CB  . HIS A 1 2   ? -13.863 -13.686 -12.260 1.00 62.30 ? 8   HIS B CB  1 
ATOM   6    C  CG  . HIS A 1 2   ? -14.495 -12.416 -12.736 1.00 57.76 ? 8   HIS B CG  1 
ATOM   7    N  ND1 . HIS A 1 2   ? -14.029 -11.728 -13.842 1.00 55.37 ? 8   HIS B ND1 1 
ATOM   8    C  CD2 . HIS A 1 2   ? -15.556 -11.714 -12.281 1.00 55.31 ? 8   HIS B CD2 1 
ATOM   9    C  CE1 . HIS A 1 2   ? -14.762 -10.649 -14.030 1.00 55.45 ? 8   HIS B CE1 1 
ATOM   10   N  NE2 . HIS A 1 2   ? -15.713 -10.620 -13.099 1.00 53.09 ? 8   HIS B NE2 1 
ATOM   11   N  N   . HIS A 1 3   ? -10.817 -13.175 -12.772 1.00 66.74 ? 9   HIS B N   1 
ATOM   12   C  CA  . HIS A 1 3   ? -9.727  -12.479 -13.510 1.00 68.20 ? 9   HIS B CA  1 
ATOM   13   C  C   . HIS A 1 3   ? -9.950  -12.632 -15.026 1.00 59.17 ? 9   HIS B C   1 
ATOM   14   O  O   . HIS A 1 3   ? -8.965  -12.910 -15.740 1.00 57.43 ? 9   HIS B O   1 
ATOM   15   C  CB  . HIS A 1 3   ? -8.369  -12.999 -13.003 1.00 73.79 ? 9   HIS B CB  1 
ATOM   16   C  CG  . HIS A 1 3   ? -8.240  -12.938 -11.512 1.00 83.56 ? 9   HIS B CG  1 
ATOM   17   N  ND1 . HIS A 1 3   ? -8.178  -11.735 -10.818 1.00 83.51 ? 9   HIS B ND1 1 
ATOM   18   C  CD2 . HIS A 1 3   ? -8.180  -13.913 -10.577 1.00 88.04 ? 9   HIS B CD2 1 
ATOM   19   C  CE1 . HIS A 1 3   ? -8.078  -11.976 -9.525  1.00 85.50 ? 9   HIS B CE1 1 
ATOM   20   N  NE2 . HIS A 1 3   ? -8.073  -13.306 -9.351  1.00 89.00 ? 9   HIS B NE2 1 
ATOM   21   N  N   . HIS A 1 4   ? -11.200 -12.435 -15.487 1.00 47.96 ? 10  HIS B N   1 
ATOM   22   C  CA  . HIS A 1 4   ? -11.673 -12.642 -16.889 1.00 40.03 ? 10  HIS B CA  1 
ATOM   23   C  C   . HIS A 1 4   ? -11.665 -11.322 -17.662 1.00 38.21 ? 10  HIS B C   1 
ATOM   24   O  O   . HIS A 1 4   ? -11.823 -11.365 -18.901 1.00 33.35 ? 10  HIS B O   1 
ATOM   25   C  CB  . HIS A 1 4   ? -13.098 -13.230 -16.913 1.00 36.85 ? 10  HIS B CB  1 
ATOM   26   C  CG  . HIS A 1 4   ? -13.191 -14.608 -16.359 1.00 35.90 ? 10  HIS B CG  1 
ATOM   27   N  ND1 . HIS A 1 4   ? -12.267 -15.601 -16.672 1.00 35.05 ? 10  HIS B ND1 1 
ATOM   28   C  CD2 . HIS A 1 4   ? -14.097 -15.176 -15.543 1.00 32.34 ? 10  HIS B CD2 1 
ATOM   29   C  CE1 . HIS A 1 4   ? -12.606 -16.719 -16.062 1.00 40.47 ? 10  HIS B CE1 1 
ATOM   30   N  NE2 . HIS A 1 4   ? -13.728 -16.485 -15.372 1.00 37.91 ? 10  HIS B NE2 1 
ATOM   31   N  N   . HIS A 1 5   ? -11.506 -10.195 -16.960 1.00 37.26 ? 11  HIS B N   1 
ATOM   32   C  CA  . HIS A 1 5   ? -11.629 -8.818  -17.516 1.00 40.72 ? 11  HIS B CA  1 
ATOM   33   C  C   . HIS A 1 5   ? -10.727 -8.633  -18.752 1.00 37.21 ? 11  HIS B C   1 
ATOM   34   O  O   . HIS A 1 5   ? -11.163 -7.911  -19.681 1.00 39.62 ? 11  HIS B O   1 
ATOM   35   C  CB  . HIS A 1 5   ? -11.342 -7.750  -16.439 1.00 49.34 ? 11  HIS B CB  1 
ATOM   36   C  CG  . HIS A 1 5   ? -12.113 -7.919  -15.170 1.00 60.16 ? 11  HIS B CG  1 
ATOM   37   N  ND1 . HIS A 1 5   ? -11.556 -8.501  -14.035 1.00 71.10 ? 11  HIS B ND1 1 
ATOM   38   C  CD2 . HIS A 1 5   ? -13.381 -7.581  -14.837 1.00 67.98 ? 11  HIS B CD2 1 
ATOM   39   C  CE1 . HIS A 1 5   ? -12.453 -8.519  -13.063 1.00 73.13 ? 11  HIS B CE1 1 
ATOM   40   N  NE2 . HIS A 1 5   ? -13.584 -7.960  -13.530 1.00 69.52 ? 11  HIS B NE2 1 
ATOM   41   N  N   . HIS A 1 6   ? -9.557  -9.296  -18.813 1.00 35.18 ? 12  HIS B N   1 
ATOM   42   C  CA  . HIS A 1 6   ? -8.550  -9.152  -19.909 1.00 35.85 ? 12  HIS B CA  1 
ATOM   43   C  C   . HIS A 1 6   ? -8.999  -9.793  -21.231 1.00 33.52 ? 12  HIS B C   1 
ATOM   44   O  O   . HIS A 1 6   ? -8.331  -9.566  -22.240 1.00 36.17 ? 12  HIS B O   1 
ATOM   45   C  CB  . HIS A 1 6   ? -7.179  -9.690  -19.479 1.00 43.18 ? 12  HIS B CB  1 
ATOM   46   C  CG  . HIS A 1 6   ? -7.140  -11.143 -19.156 1.00 44.09 ? 12  HIS B CG  1 
ATOM   47   N  ND1 . HIS A 1 6   ? -6.556  -12.073 -20.001 1.00 53.05 ? 12  HIS B ND1 1 
ATOM   48   C  CD2 . HIS A 1 6   ? -7.550  -11.828 -18.065 1.00 50.38 ? 12  HIS B CD2 1 
ATOM   49   C  CE1 . HIS A 1 6   ? -6.628  -13.272 -19.458 1.00 48.34 ? 12  HIS B CE1 1 
ATOM   50   N  NE2 . HIS A 1 6   ? -7.239  -13.152 -18.270 1.00 55.41 ? 12  HIS B NE2 1 
ATOM   51   N  N   . HIS A 1 7   ? -10.068 -10.593 -21.243 1.00 27.04 ? 13  HIS B N   1 
ATOM   52   C  CA  . HIS A 1 7   ? -10.707 -11.130 -22.482 1.00 23.48 ? 13  HIS B CA  1 
ATOM   53   C  C   . HIS A 1 7   ? -11.833 -10.211 -22.931 1.00 22.21 ? 13  HIS B C   1 
ATOM   54   O  O   . HIS A 1 7   ? -12.699 -10.686 -23.689 1.00 18.30 ? 13  HIS B O   1 
ATOM   55   C  CB  . HIS A 1 7   ? -11.264 -12.519 -22.219 1.00 22.03 ? 13  HIS B CB  1 
ATOM   56   C  CG  . HIS A 1 7   ? -10.190 -13.463 -21.789 1.00 23.44 ? 13  HIS B CG  1 
ATOM   57   N  ND1 . HIS A 1 7   ? -9.170  -13.798 -22.651 1.00 24.56 ? 13  HIS B ND1 1 
ATOM   58   C  CD2 . HIS A 1 7   ? -10.002 -14.135 -20.631 1.00 24.75 ? 13  HIS B CD2 1 
ATOM   59   C  CE1 . HIS A 1 7   ? -8.376  -14.657 -22.028 1.00 22.79 ? 13  HIS B CE1 1 
ATOM   60   N  NE2 . HIS A 1 7   ? -8.838  -14.870 -20.794 1.00 26.20 ? 13  HIS B NE2 1 
ATOM   61   N  N   . MET A 1 8   ? -11.839 -8.975  -22.459 1.00 22.16 ? 14  MET B N   1 
ATOM   62   C  CA  . MET A 1 8   ? -12.895 -7.975  -22.782 1.00 24.68 ? 14  MET B CA  1 
ATOM   63   C  C   . MET A 1 8   ? -13.025 -7.833  -24.306 1.00 24.94 ? 14  MET B C   1 
ATOM   64   O  O   . MET A 1 8   ? -11.992 -7.740  -25.051 1.00 26.85 ? 14  MET B O   1 
ATOM   65   C  CB  . MET A 1 8   ? -12.565 -6.622  -22.138 1.00 31.20 ? 14  MET B CB  1 
ATOM   66   C  CG  . MET A 1 8   ? -13.612 -5.511  -22.357 1.00 37.43 ? 14  MET B CG  1 
ATOM   67   S  SD  . MET A 1 8   ? -15.253 -5.686  -21.513 1.00 48.85 ? 14  MET B SD  1 
ATOM   68   C  CE  . MET A 1 8   ? -14.853 -5.101  -19.868 1.00 38.84 ? 14  MET B CE  1 
ATOM   69   N  N   . VAL A 1 9   ? -14.261 -7.785  -24.808 1.00 19.20 ? 15  VAL B N   1 
ATOM   70   C  CA  . VAL A 1 9   ? -14.564 -7.599  -26.251 1.00 20.87 ? 15  VAL B CA  1 
ATOM   71   C  C   . VAL A 1 9   ? -15.560 -6.431  -26.344 1.00 21.20 ? 15  VAL B C   1 
ATOM   72   O  O   . VAL A 1 9   ? -16.388 -6.259  -25.417 1.00 20.59 ? 15  VAL B O   1 
ATOM   73   C  CB  . VAL A 1 9   ? -15.081 -8.876  -26.944 1.00 21.63 ? 15  VAL B CB  1 
ATOM   74   C  CG1 . VAL A 1 9   ? -13.982 -9.927  -27.010 1.00 24.02 ? 15  VAL B CG1 1 
ATOM   75   C  CG2 . VAL A 1 9   ? -16.308 -9.478  -26.291 1.00 22.73 ? 15  VAL B CG2 1 
ATOM   76   N  N   . HIS A 1 10  ? -15.498 -5.676  -27.433 1.00 21.39 ? 16  HIS B N   1 
ATOM   77   C  CA  . HIS A 1 10  ? -16.387 -4.516  -27.675 1.00 21.14 ? 16  HIS B CA  1 
ATOM   78   C  C   . HIS A 1 10  ? -17.620 -5.027  -28.429 1.00 20.48 ? 16  HIS B C   1 
ATOM   79   O  O   . HIS A 1 10  ? -17.499 -5.480  -29.564 1.00 24.08 ? 16  HIS B O   1 
ATOM   80   C  CB  . HIS A 1 10  ? -15.656 -3.422  -28.449 1.00 22.41 ? 16  HIS B CB  1 
ATOM   81   C  CG  . HIS A 1 10  ? -16.438 -2.160  -28.671 1.00 26.86 ? 16  HIS B CG  1 
ATOM   82   N  ND1 . HIS A 1 10  ? -16.544 -1.175  -27.705 1.00 30.87 ? 16  HIS B ND1 1 
ATOM   83   C  CD2 . HIS A 1 10  ? -17.140 -1.718  -29.747 1.00 29.71 ? 16  HIS B CD2 1 
ATOM   84   C  CE1 . HIS A 1 10  ? -17.278 -0.167  -28.174 1.00 26.94 ? 16  HIS B CE1 1 
ATOM   85   N  NE2 . HIS A 1 10  ? -17.666 -0.484  -29.429 1.00 31.41 ? 16  HIS B NE2 1 
ATOM   86   N  N   . ILE A 1 11  ? -18.741 -5.126  -27.745 1.00 16.38 ? 17  ILE B N   1 
ATOM   87   C  CA  . ILE A 1 11  ? -19.980 -5.664  -28.344 1.00 17.23 ? 17  ILE B CA  1 
ATOM   88   C  C   . ILE A 1 11  ? -20.790 -4.468  -28.868 1.00 17.29 ? 17  ILE B C   1 
ATOM   89   O  O   . ILE A 1 11  ? -20.807 -3.437  -28.211 1.00 16.70 ? 17  ILE B O   1 
ATOM   90   C  CB  . ILE A 1 11  ? -20.775 -6.454  -27.291 1.00 17.04 ? 17  ILE B CB  1 
ATOM   91   C  CG1 . ILE A 1 11  ? -19.975 -7.659  -26.755 1.00 17.80 ? 17  ILE B CG1 1 
ATOM   92   C  CG2 . ILE A 1 11  ? -22.123 -6.843  -27.876 1.00 15.21 ? 17  ILE B CG2 1 
ATOM   93   C  CD1 . ILE A 1 11  ? -19.401 -8.607  -27.814 1.00 17.01 ? 17  ILE B CD1 1 
ATOM   94   N  N   . THR A 1 12  ? -21.379 -4.649  -30.020 1.00 15.72 ? 18  THR B N   1 
ATOM   95   C  CA  . THR A 1 12  ? -22.363 -3.684  -30.577 1.00 16.45 ? 18  THR B CA  1 
ATOM   96   C  C   . THR A 1 12  ? -23.635 -4.446  -30.931 1.00 16.05 ? 18  THR B C   1 
ATOM   97   O  O   . THR A 1 12  ? -23.589 -5.670  -31.222 1.00 17.81 ? 18  THR B O   1 
ATOM   98   C  CB  . THR A 1 12  ? -21.799 -2.925  -31.781 1.00 18.19 ? 18  THR B CB  1 
ATOM   99   O  OG1 . THR A 1 12  ? -21.427 -3.826  -32.802 1.00 19.77 ? 18  THR B OG1 1 
ATOM   100  C  CG2 . THR A 1 12  ? -20.621 -2.040  -31.424 1.00 20.76 ? 18  THR B CG2 1 
ATOM   101  N  N   . LEU A 1 13  ? -24.772 -3.752  -30.880 1.00 14.42 ? 19  LEU B N   1 
ATOM   102  C  CA  . LEU A 1 13  ? -26.076 -4.394  -31.175 1.00 15.00 ? 19  LEU B CA  1 
ATOM   103  C  C   . LEU A 1 13  ? -26.346 -4.402  -32.675 1.00 14.67 ? 19  LEU B C   1 
ATOM   104  O  O   . LEU A 1 13  ? -26.027 -3.378  -33.338 1.00 17.08 ? 19  LEU B O   1 
ATOM   105  C  CB  . LEU A 1 13  ? -27.154 -3.659  -30.402 1.00 14.77 ? 19  LEU B CB  1 
ATOM   106  C  CG  . LEU A 1 13  ? -26.963 -3.692  -28.892 1.00 15.12 ? 19  LEU B CG  1 
ATOM   107  C  CD1 . LEU A 1 13  ? -27.947 -2.790  -28.156 1.00 16.75 ? 19  LEU B CD1 1 
ATOM   108  C  CD2 . LEU A 1 13  ? -27.024 -5.132  -28.367 1.00 16.98 ? 19  LEU B CD2 1 
ATOM   109  N  N   . ASP A 1 14  ? -26.994 -5.423  -33.150 1.00 13.92 ? 20  ASP B N   1 
ATOM   110  C  CA  . ASP A 1 14  ? -27.353 -5.592  -34.576 1.00 14.61 ? 20  ASP B CA  1 
ATOM   111  C  C   . ASP A 1 14  ? -28.847 -5.189  -34.739 1.00 15.86 ? 20  ASP B C   1 
ATOM   112  O  O   . ASP A 1 14  ? -29.717 -5.981  -34.424 1.00 14.04 ? 20  ASP B O   1 
ATOM   113  C  CB  . ASP A 1 14  ? -27.039 -7.011  -35.072 1.00 15.52 ? 20  ASP B CB  1 
ATOM   114  C  CG  . ASP A 1 14  ? -27.401 -7.296  -36.520 1.00 21.02 ? 20  ASP B CG  1 
ATOM   115  O  OD1 . ASP A 1 14  ? -28.072 -6.438  -37.110 1.00 19.71 ? 20  ASP B OD1 1 
ATOM   116  O  OD2 . ASP A 1 14  ? -27.062 -8.390  -37.037 1.00 19.26 ? 20  ASP B OD2 1 
ATOM   117  N  N   A ARG A 1 15  ? -29.077 -3.959  -35.233 0.25 16.69 ? 21  ARG B N   1 
ATOM   118  N  N   B ARG A 1 15  ? -29.104 -3.969  -35.226 0.25 17.60 ? 21  ARG B N   1 
ATOM   119  C  CA  A ARG A 1 15  ? -30.413 -3.357  -35.528 0.25 17.90 ? 21  ARG B CA  1 
ATOM   120  C  CA  B ARG A 1 15  ? -30.475 -3.415  -35.405 0.25 19.27 ? 21  ARG B CA  1 
ATOM   121  C  C   A ARG A 1 15  ? -31.319 -4.344  -36.260 0.25 17.08 ? 21  ARG B C   1 
ATOM   122  C  C   B ARG A 1 15  ? -31.341 -4.346  -36.263 0.25 17.93 ? 21  ARG B C   1 
ATOM   123  O  O   A ARG A 1 15  ? -32.533 -4.343  -35.997 0.25 16.27 ? 21  ARG B O   1 
ATOM   124  O  O   B ARG A 1 15  ? -32.565 -4.341  -36.059 0.25 16.85 ? 21  ARG B O   1 
ATOM   125  C  CB  A ARG A 1 15  ? -30.285 -2.143  -36.462 0.25 18.66 ? 21  ARG B CB  1 
ATOM   126  C  CB  B ARG A 1 15  ? -30.419 -2.032  -36.068 0.25 22.10 ? 21  ARG B CB  1 
ATOM   127  C  CG  A ARG A 1 15  ? -29.282 -1.096  -36.007 0.25 20.05 ? 21  ARG B CG  1 
ATOM   128  C  CG  B ARG A 1 15  ? -29.875 -0.929  -35.175 0.25 24.39 ? 21  ARG B CG  1 
ATOM   129  C  CD  A ARG A 1 15  ? -29.441 0.258   -36.692 0.25 20.14 ? 21  ARG B CD  1 
ATOM   130  C  CD  B ARG A 1 15  ? -28.399 -0.641  -35.408 0.25 28.55 ? 21  ARG B CD  1 
ATOM   131  N  NE  A ARG A 1 15  ? -28.800 1.285   -35.887 0.25 19.67 ? 21  ARG B NE  1 
ATOM   132  N  NE  B ARG A 1 15  ? -28.120 0.284   -36.512 0.25 30.93 ? 21  ARG B NE  1 
ATOM   133  C  CZ  A ARG A 1 15  ? -29.406 1.863   -34.866 0.25 19.14 ? 21  ARG B CZ  1 
ATOM   134  C  CZ  B ARG A 1 15  ? -27.494 -0.034  -37.645 0.25 33.40 ? 21  ARG B CZ  1 
ATOM   135  N  NH1 A ARG A 1 15  ? -30.657 1.538   -34.606 0.25 20.12 ? 21  ARG B NH1 1 
ATOM   136  N  NH1 B ARG A 1 15  ? -27.055 -1.264  -37.857 0.25 36.68 ? 21  ARG B NH1 1 
ATOM   137  N  NH2 A ARG A 1 15  ? -28.790 2.770   -34.137 0.25 20.44 ? 21  ARG B NH2 1 
ATOM   138  N  NH2 B ARG A 1 15  ? -27.291 0.892   -38.562 0.25 35.40 ? 21  ARG B NH2 1 
ATOM   139  N  N   . ASN A 1 16  ? -30.758 -5.088  -37.210 1.00 17.34 ? 22  ASN B N   1 
ATOM   140  C  CA  . ASN A 1 16  ? -31.553 -5.934  -38.129 1.00 18.43 ? 22  ASN B CA  1 
ATOM   141  C  C   . ASN A 1 16  ? -32.214 -7.094  -37.397 1.00 15.79 ? 22  ASN B C   1 
ATOM   142  O  O   . ASN A 1 16  ? -33.223 -7.589  -37.867 1.00 15.39 ? 22  ASN B O   1 
ATOM   143  C  CB  . ASN A 1 16  ? -30.712 -6.407  -39.319 1.00 22.35 ? 22  ASN B CB  1 
ATOM   144  C  CG  . ASN A 1 16  ? -30.411 -5.251  -40.249 1.00 27.96 ? 22  ASN B CG  1 
ATOM   145  O  OD1 . ASN A 1 16  ? -31.194 -4.310  -40.366 1.00 34.25 ? 22  ASN B OD1 1 
ATOM   146  N  ND2 . ASN A 1 16  ? -29.263 -5.305  -40.889 1.00 36.82 ? 22  ASN B ND2 1 
ATOM   147  N  N   . THR A 1 17  ? -31.674 -7.504  -36.230 1.00 14.17 ? 23  THR B N   1 
ATOM   148  C  CA  . THR A 1 17  ? -32.215 -8.614  -35.433 1.00 14.47 ? 23  THR B CA  1 
ATOM   149  C  C   . THR A 1 17  ? -33.243 -8.130  -34.415 1.00 13.28 ? 23  THR B C   1 
ATOM   150  O  O   . THR A 1 17  ? -33.899 -8.972  -33.805 1.00 13.16 ? 23  THR B O   1 
ATOM   151  C  CB  . THR A 1 17  ? -31.105 -9.399  -34.717 1.00 13.32 ? 23  THR B CB  1 
ATOM   152  O  OG1 . THR A 1 17  ? -30.536 -8.570  -33.694 1.00 13.82 ? 23  THR B OG1 1 
ATOM   153  C  CG2 . THR A 1 17  ? -30.074 -9.938  -35.693 1.00 14.55 ? 23  THR B CG2 1 
ATOM   154  N  N   . ALA A 1 18  ? -33.347 -6.830  -34.203 1.00 13.26 ? 24  ALA B N   1 
ATOM   155  C  CA  . ALA A 1 18  ? -34.166 -6.292  -33.105 1.00 11.80 ? 24  ALA B CA  1 
ATOM   156  C  C   . ALA A 1 18  ? -35.664 -6.484  -33.366 1.00 12.74 ? 24  ALA B C   1 
ATOM   157  O  O   . ALA A 1 18  ? -36.142 -6.209  -34.481 1.00 14.20 ? 24  ALA B O   1 
ATOM   158  C  CB  . ALA A 1 18  ? -33.844 -4.828  -32.947 1.00 12.86 ? 24  ALA B CB  1 
ATOM   159  N  N   . ASN A 1 19  ? -36.407 -6.797  -32.332 1.00 12.91 ? 25  ASN B N   1 
ATOM   160  C  CA  . ASN A 1 19  ? -37.869 -6.584  -32.338 1.00 12.50 ? 25  ASN B CA  1 
ATOM   161  C  C   . ASN A 1 19  ? -38.113 -5.146  -32.802 1.00 12.46 ? 25  ASN B C   1 
ATOM   162  O  O   . ASN A 1 19  ? -37.403 -4.210  -32.441 1.00 12.26 ? 25  ASN B O   1 
ATOM   163  C  CB  . ASN A 1 19  ? -38.385 -6.901  -30.945 1.00 12.85 ? 25  ASN B CB  1 
ATOM   164  C  CG  . ASN A 1 19  ? -39.863 -6.654  -30.852 1.00 15.37 ? 25  ASN B CG  1 
ATOM   165  O  OD1 . ASN A 1 19  ? -40.287 -5.537  -30.605 1.00 15.82 ? 25  ASN B OD1 1 
ATOM   166  N  ND2 . ASN A 1 19  ? -40.637 -7.666  -31.116 1.00 18.39 ? 25  ASN B ND2 1 
ATOM   167  N  N   . SER A 1 20  ? -39.201 -4.979  -33.528 1.00 12.49 ? 26  SER B N   1 
ATOM   168  C  CA  . SER A 1 20  ? -39.524 -3.709  -34.208 1.00 13.49 ? 26  SER B CA  1 
ATOM   169  C  C   . SER A 1 20  ? -39.910 -2.613  -33.235 1.00 14.10 ? 26  SER B C   1 
ATOM   170  O  O   . SER A 1 20  ? -40.025 -1.475  -33.693 1.00 14.66 ? 26  SER B O   1 
ATOM   171  C  CB  . SER A 1 20  ? -40.600 -3.942  -35.225 1.00 15.24 ? 26  SER B CB  1 
ATOM   172  O  OG  . SER A 1 20  ? -41.778 -4.372  -34.559 1.00 20.12 ? 26  SER B OG  1 
ATOM   173  N  N   . TRP A 1 21  ? -40.113 -2.879  -31.948 1.00 12.38 ? 27  TRP B N   1 
ATOM   174  C  CA  . TRP A 1 21  ? -40.408 -1.854  -30.930 1.00 13.17 ? 27  TRP B CA  1 
ATOM   175  C  C   . TRP A 1 21  ? -39.154 -1.375  -30.218 1.00 13.53 ? 27  TRP B C   1 
ATOM   176  O  O   . TRP A 1 21  ? -39.282 -0.462  -29.409 1.00 13.36 ? 27  TRP B O   1 
ATOM   177  C  CB  . TRP A 1 21  ? -41.413 -2.402  -29.948 1.00 15.06 ? 27  TRP B CB  1 
ATOM   178  C  CG  . TRP A 1 21  ? -42.801 -2.487  -30.507 1.00 15.45 ? 27  TRP B CG  1 
ATOM   179  C  CD1 . TRP A 1 21  ? -43.201 -2.990  -31.725 1.00 16.17 ? 27  TRP B CD1 1 
ATOM   180  C  CD2 . TRP A 1 21  ? -43.978 -1.993  -29.856 1.00 18.37 ? 27  TRP B CD2 1 
ATOM   181  N  NE1 . TRP A 1 21  ? -44.571 -2.880  -31.851 1.00 19.55 ? 27  TRP B NE1 1 
ATOM   182  C  CE2 . TRP A 1 21  ? -45.057 -2.299  -30.719 1.00 17.14 ? 27  TRP B CE2 1 
ATOM   183  C  CE3 . TRP A 1 21  ? -44.217 -1.340  -28.645 1.00 20.37 ? 27  TRP B CE3 1 
ATOM   184  C  CZ2 . TRP A 1 21  ? -46.374 -1.938  -30.394 1.00 21.96 ? 27  TRP B CZ2 1 
ATOM   185  C  CZ3 . TRP A 1 21  ? -45.529 -1.008  -28.312 1.00 22.68 ? 27  TRP B CZ3 1 
ATOM   186  C  CH2 . TRP A 1 21  ? -46.578 -1.359  -29.155 1.00 25.18 ? 27  TRP B CH2 1 
ATOM   187  N  N   . LEU A 1 22  ? -37.982 -1.944  -30.529 1.00 12.61 ? 28  LEU B N   1 
ATOM   188  C  CA  . LEU A 1 22  ? -36.751 -1.528  -29.814 1.00 13.22 ? 28  LEU B CA  1 
ATOM   189  C  C   . LEU A 1 22  ? -36.144 -0.280  -30.469 1.00 12.56 ? 28  LEU B C   1 
ATOM   190  O  O   . LEU A 1 22  ? -36.139 -0.139  -31.701 1.00 12.79 ? 28  LEU B O   1 
ATOM   191  C  CB  . LEU A 1 22  ? -35.739 -2.673  -29.796 1.00 12.11 ? 28  LEU B CB  1 
ATOM   192  C  CG  . LEU A 1 22  ? -36.184 -3.929  -29.050 1.00 12.90 ? 28  LEU B CG  1 
ATOM   193  C  CD1 . LEU A 1 22  ? -35.094 -4.987  -29.060 1.00 12.84 ? 28  LEU B CD1 1 
ATOM   194  C  CD2 . LEU A 1 22  ? -36.597 -3.617  -27.640 1.00 13.31 ? 28  LEU B CD2 1 
ATOM   195  N  N   . ILE A 1 23  ? -35.507 0.508   -29.622 1.00 12.64 ? 29  ILE B N   1 
ATOM   196  C  CA  . ILE A 1 23  ? -34.716 1.705   -30.020 1.00 13.26 ? 29  ILE B CA  1 
ATOM   197  C  C   . ILE A 1 23  ? -33.278 1.462   -29.595 1.00 12.95 ? 29  ILE B C   1 
ATOM   198  O  O   . ILE A 1 23  ? -33.024 1.374   -28.381 1.00 13.91 ? 29  ILE B O   1 
ATOM   199  C  CB  . ILE A 1 23  ? -35.281 2.973   -29.421 1.00 14.29 ? 29  ILE B CB  1 
ATOM   200  C  CG1 . ILE A 1 23  ? -36.775 3.212   -29.764 1.00 14.63 ? 29  ILE B CG1 1 
ATOM   201  C  CG2 . ILE A 1 23  ? -34.405 4.185   -29.854 1.00 15.16 ? 29  ILE B CG2 1 
ATOM   202  C  CD1 . ILE A 1 23  ? -37.391 4.315   -29.008 1.00 16.41 ? 29  ILE B CD1 1 
ATOM   203  N  N   . ILE A 1 24  ? -32.414 1.350   -30.587 1.00 16.23 ? 30  ILE B N   1 
ATOM   204  C  CA  . ILE A 1 24  ? -30.959 1.124   -30.381 1.00 15.73 ? 30  ILE B CA  1 
ATOM   205  C  C   . ILE A 1 24  ? -30.289 2.471   -30.571 1.00 17.60 ? 30  ILE B C   1 
ATOM   206  O  O   . ILE A 1 24  ? -30.553 3.159   -31.600 1.00 18.46 ? 30  ILE B O   1 
ATOM   207  C  CB  . ILE A 1 24  ? -30.434 0.039   -31.316 1.00 16.98 ? 30  ILE B CB  1 
ATOM   208  C  CG1 . ILE A 1 24  ? -30.957 -1.336  -30.915 1.00 19.97 ? 30  ILE B CG1 1 
ATOM   209  C  CG2 . ILE A 1 24  ? -28.906 0.032   -31.324 1.00 16.92 ? 30  ILE B CG2 1 
ATOM   210  C  CD1 . ILE A 1 24  ? -30.754 -2.324  -31.899 1.00 24.32 ? 30  ILE B CD1 1 
ATOM   211  N  N   . SER A 1 25  ? -29.400 2.830   -29.672 1.00 16.51 ? 31  SER B N   1 
ATOM   212  C  CA  . SER A 1 25  ? -28.704 4.126   -29.715 1.00 16.20 ? 31  SER B CA  1 
ATOM   213  C  C   . SER A 1 25  ? -27.780 4.217   -30.941 1.00 15.29 ? 31  SER B C   1 
ATOM   214  O  O   . SER A 1 25  ? -27.402 3.222   -31.529 1.00 16.47 ? 31  SER B O   1 
ATOM   215  C  CB  . SER A 1 25  ? -27.972 4.321   -28.427 1.00 17.60 ? 31  SER B CB  1 
ATOM   216  O  OG  . SER A 1 25  ? -26.975 3.317   -28.287 1.00 17.10 ? 31  SER B OG  1 
ATOM   217  N  N   . LYS A 1 26  ? -27.408 5.452   -31.300 1.00 19.20 ? 32  LYS B N   1 
ATOM   218  C  CA  . LYS A 1 26  ? -26.530 5.687   -32.481 1.00 19.20 ? 32  LYS B CA  1 
ATOM   219  C  C   . LYS A 1 26  ? -25.218 4.897   -32.379 1.00 17.58 ? 32  LYS B C   1 
ATOM   220  O  O   . LYS A 1 26  ? -24.781 4.383   -33.407 1.00 21.38 ? 32  LYS B O   1 
ATOM   221  C  CB  . LYS A 1 26  ? -26.272 7.200   -32.541 1.00 23.66 ? 32  LYS B CB  1 
ATOM   222  C  CG  . LYS A 1 26  ? -25.283 7.643   -33.587 1.00 28.13 ? 32  LYS B CG  1 
ATOM   223  C  CD  . LYS A 1 26  ? -25.395 9.126   -33.773 1.00 28.48 ? 32  LYS B CD  1 
ATOM   224  C  CE  . LYS A 1 26  ? -25.369 9.864   -32.457 1.00 33.07 ? 32  LYS B CE  1 
ATOM   225  N  NZ  . LYS A 1 26  ? -25.323 11.319  -32.704 1.00 37.92 ? 32  LYS B NZ  1 
ATOM   226  N  N   . ASP A 1 27  ? -24.659 4.806   -31.172 1.00 19.16 ? 33  ASP B N   1 
ATOM   227  C  CA  . ASP A 1 27  ? -23.375 4.093   -30.944 1.00 18.68 ? 33  ASP B CA  1 
ATOM   228  C  C   . ASP A 1 27  ? -23.582 2.569   -30.884 1.00 17.95 ? 33  ASP B C   1 
ATOM   229  O  O   . ASP A 1 27  ? -22.582 1.824   -30.782 1.00 18.02 ? 33  ASP B O   1 
ATOM   230  C  CB  . ASP A 1 27  ? -22.650 4.609   -29.706 1.00 19.40 ? 33  ASP B CB  1 
ATOM   231  C  CG  . ASP A 1 27  ? -23.315 4.365   -28.368 1.00 20.39 ? 33  ASP B CG  1 
ATOM   232  O  OD1 . ASP A 1 27  ? -24.409 3.722   -28.322 1.00 20.24 ? 33  ASP B OD1 1 
ATOM   233  O  OD2 . ASP A 1 27  ? -22.712 4.791   -27.382 1.00 23.72 ? 33  ASP B OD2 1 
ATOM   234  N  N   . ARG A 1 28  ? -24.814 2.104   -30.986 1.00 16.32 ? 34  ARG B N   1 
ATOM   235  C  CA  . ARG A 1 28  ? -25.154 0.661   -30.994 1.00 15.48 ? 34  ARG B CA  1 
ATOM   236  C  C   . ARG A 1 28  ? -24.705 0.022   -29.668 1.00 13.51 ? 34  ARG B C   1 
ATOM   237  O  O   . ARG A 1 28  ? -24.582 -1.220  -29.634 1.00 14.34 ? 34  ARG B O   1 
ATOM   238  C  CB  . ARG A 1 28  ? -24.643 -0.053  -32.253 1.00 18.49 ? 34  ARG B CB  1 
ATOM   239  C  CG  . ARG A 1 28  ? -25.216 0.537   -33.543 1.00 24.61 ? 34  ARG B CG  1 
ATOM   240  C  CD  . ARG A 1 28  ? -24.762 -0.090  -34.841 1.00 33.90 ? 34  ARG B CD  1 
ATOM   241  N  NE  . ARG A 1 28  ? -23.341 -0.377  -34.911 1.00 43.86 ? 34  ARG B NE  1 
ATOM   242  C  CZ  . ARG A 1 28  ? -22.762 -1.594  -34.813 1.00 60.54 ? 34  ARG B CZ  1 
ATOM   243  N  NH1 . ARG A 1 28  ? -23.469 -2.710  -34.613 1.00 53.47 ? 34  ARG B NH1 1 
ATOM   244  N  NH2 . ARG A 1 28  ? -21.440 -1.680  -34.919 1.00 64.71 ? 34  ARG B NH2 1 
ATOM   245  N  N   . ARG A 1 29  ? -24.698 0.762   -28.584 1.00 12.53 ? 35  ARG B N   1 
ATOM   246  C  CA  . ARG A 1 29  ? -24.315 0.236   -27.257 1.00 14.68 ? 35  ARG B CA  1 
ATOM   247  C  C   . ARG A 1 29  ? -25.457 0.243   -26.259 1.00 14.35 ? 35  ARG B C   1 
ATOM   248  O  O   . ARG A 1 29  ? -25.275 -0.306  -25.169 1.00 15.42 ? 35  ARG B O   1 
ATOM   249  C  CB  . ARG A 1 29  ? -23.120 0.988   -26.669 1.00 15.69 ? 35  ARG B CB  1 
ATOM   250  C  CG  . ARG A 1 29  ? -21.909 0.879   -27.573 1.00 17.79 ? 35  ARG B CG  1 
ATOM   251  C  CD  . ARG A 1 29  ? -21.018 -0.308  -27.349 1.00 18.95 ? 35  ARG B CD  1 
ATOM   252  N  NE  . ARG A 1 29  ? -20.269 -0.094  -26.112 1.00 20.39 ? 35  ARG B NE  1 
ATOM   253  C  CZ  . ARG A 1 29  ? -19.538 -1.032  -25.507 1.00 21.31 ? 35  ARG B CZ  1 
ATOM   254  N  NH1 . ARG A 1 29  ? -19.454 -2.225  -26.046 1.00 21.08 ? 35  ARG B NH1 1 
ATOM   255  N  NH2 . ARG A 1 29  ? -18.916 -0.749  -24.381 1.00 21.05 ? 35  ARG B NH2 1 
ATOM   256  N  N   . GLN A 1 30  ? -26.630 0.809   -26.555 1.00 13.20 ? 36  GLN B N   1 
ATOM   257  C  CA  . GLN A 1 30  ? -27.785 0.869   -25.640 1.00 13.45 ? 36  GLN B CA  1 
ATOM   258  C  C   . GLN A 1 30  ? -29.041 0.467   -26.400 1.00 13.51 ? 36  GLN B C   1 
ATOM   259  O  O   . GLN A 1 30  ? -29.145 0.709   -27.626 1.00 13.43 ? 36  GLN B O   1 
ATOM   260  C  CB  . GLN A 1 30  ? -28.014 2.253   -25.022 1.00 16.42 ? 36  GLN B CB  1 
ATOM   261  C  CG  . GLN A 1 30  ? -26.759 2.871   -24.468 1.00 19.63 ? 36  GLN B CG  1 
ATOM   262  C  CD  . GLN A 1 30  ? -27.111 4.115   -23.680 1.00 23.54 ? 36  GLN B CD  1 
ATOM   263  O  OE1 . GLN A 1 30  ? -28.258 4.350   -23.289 1.00 25.68 ? 36  GLN B OE1 1 
ATOM   264  N  NE2 . GLN A 1 30  ? -26.116 4.943   -23.476 1.00 26.95 ? 36  GLN B NE2 1 
ATOM   265  N  N   . VAL A 1 31  ? -29.970 -0.152  -25.693 1.00 12.58 ? 37  VAL B N   1 
ATOM   266  C  CA  . VAL A 1 31  ? -31.274 -0.538  -26.289 1.00 12.55 ? 37  VAL B CA  1 
ATOM   267  C  C   . VAL A 1 31  ? -32.356 -0.366  -25.248 1.00 12.56 ? 37  VAL B C   1 
ATOM   268  O  O   . VAL A 1 31  ? -32.160 -0.708  -24.091 1.00 12.48 ? 37  VAL B O   1 
ATOM   269  C  CB  . VAL A 1 31  ? -31.218 -1.948  -26.880 1.00 11.75 ? 37  VAL B CB  1 
ATOM   270  C  CG1 . VAL A 1 31  ? -30.794 -3.039  -25.870 1.00 11.61 ? 37  VAL B CG1 1 
ATOM   271  C  CG2 . VAL A 1 31  ? -32.576 -2.316  -27.488 1.00 13.45 ? 37  VAL B CG2 1 
ATOM   272  N  N   . ARG A 1 32  ? -33.506 0.139   -25.649 1.00 13.30 ? 38  ARG B N   1 
ATOM   273  C  CA  . ARG A 1 32  ? -34.680 0.236   -24.770 1.00 13.20 ? 38  ARG B CA  1 
ATOM   274  C  C   . ARG A 1 32  ? -35.939 -0.033  -25.582 1.00 13.48 ? 38  ARG B C   1 
ATOM   275  O  O   . ARG A 1 32  ? -35.940 0.035   -26.831 1.00 12.88 ? 38  ARG B O   1 
ATOM   276  C  CB  . ARG A 1 32  ? -34.771 1.609   -24.107 1.00 14.90 ? 38  ARG B CB  1 
ATOM   277  C  CG  . ARG A 1 32  ? -35.043 2.744   -25.088 1.00 17.53 ? 38  ARG B CG  1 
ATOM   278  C  CD  . ARG A 1 32  ? -34.966 4.084   -24.342 1.00 20.65 ? 38  ARG B CD  1 
ATOM   279  N  NE  . ARG A 1 32  ? -35.141 5.187   -25.263 1.00 25.56 ? 38  ARG B NE  1 
ATOM   280  C  CZ  . ARG A 1 32  ? -36.304 5.733   -25.540 1.00 22.10 ? 38  ARG B CZ  1 
ATOM   281  N  NH1 . ARG A 1 32  ? -37.409 5.252   -25.017 1.00 25.24 ? 38  ARG B NH1 1 
ATOM   282  N  NH2 . ARG A 1 32  ? -36.361 6.742   -26.420 1.00 25.77 ? 38  ARG B NH2 1 
ATOM   283  N  N   . MET A 1 33  ? -37.012 -0.366  -24.871 0.38 13.47 ? 39  MET B N   1 
ATOM   284  C  CA  . MET A 1 33  ? -38.335 -0.555  -25.512 0.38 14.26 ? 39  MET B CA  1 
ATOM   285  C  C   . MET A 1 33  ? -38.947 0.813   -25.807 0.38 15.02 ? 39  MET B C   1 
ATOM   286  O  O   . MET A 1 33  ? -38.980 1.685   -24.919 0.38 15.47 ? 39  MET B O   1 
ATOM   287  C  CB  . MET A 1 33  ? -39.314 -1.363  -24.661 0.38 14.11 ? 39  MET B CB  1 
ATOM   288  C  CG  . MET A 1 33  ? -40.667 -1.484  -25.365 0.38 14.40 ? 39  MET B CG  1 
ATOM   289  S  SD  . MET A 1 33  ? -41.916 -2.374  -24.444 0.38 13.58 ? 39  MET B SD  1 
ATOM   290  C  CE  . MET A 1 33  ? -41.107 -3.951  -24.188 0.38 13.02 ? 39  MET B CE  1 
ATOM   291  N  N   . GLY A 1 34  ? -39.419 0.964   -27.035 1.00 15.85 ? 40  GLY B N   1 
ATOM   292  C  CA  . GLY A 1 34  ? -40.151 2.161   -27.475 1.00 16.50 ? 40  GLY B CA  1 
ATOM   293  C  C   . GLY A 1 34  ? -41.615 2.061   -27.098 1.00 18.38 ? 40  GLY B C   1 
ATOM   294  O  O   . GLY A 1 34  ? -42.063 0.979   -26.695 1.00 18.88 ? 40  GLY B O   1 
ATOM   295  N  N   . ASP A 1 35  ? -42.325 3.188   -27.224 1.00 21.09 ? 41  ASP B N   1 
ATOM   296  C  CA  . ASP A 1 35  ? -43.750 3.220   -26.759 1.00 27.60 ? 41  ASP B CA  1 
ATOM   297  C  C   . ASP A 1 35  ? -44.638 2.829   -27.965 1.00 25.88 ? 41  ASP B C   1 
ATOM   298  O  O   . ASP A 1 35  ? -45.878 2.762   -27.816 1.00 26.99 ? 41  ASP B O   1 
ATOM   299  C  CB  . ASP A 1 35  ? -44.057 4.517   -25.970 1.00 34.59 ? 41  ASP B CB  1 
ATOM   300  C  CG  . ASP A 1 35  ? -43.750 4.460   -24.450 1.00 47.14 ? 41  ASP B CG  1 
ATOM   301  O  OD1 . ASP A 1 35  ? -43.558 3.334   -23.903 1.00 54.39 ? 41  ASP B OD1 1 
ATOM   302  O  OD2 . ASP A 1 35  ? -43.709 5.537   -23.778 1.00 47.70 ? 41  ASP B OD2 1 
ATOM   303  N  N   . THR A 1 36  ? -44.047 2.375   -29.070 1.00 21.88 ? 42  THR B N   1 
ATOM   304  C  CA  . THR A 1 36  ? -44.785 1.998   -30.318 1.00 19.43 ? 42  THR B CA  1 
ATOM   305  C  C   . THR A 1 36  ? -43.875 1.233   -31.294 1.00 16.47 ? 42  THR B C   1 
ATOM   306  O  O   . THR A 1 36  ? -42.584 1.204   -31.101 1.00 15.81 ? 42  THR B O   1 
ATOM   307  C  CB  . THR A 1 36  ? -45.320 3.318   -30.864 1.00 20.71 ? 42  THR B CB  1 
ATOM   308  O  OG1 . THR A 1 36  ? -46.216 3.007   -31.904 1.00 21.00 ? 42  THR B OG1 1 
ATOM   309  C  CG2 . THR A 1 36  ? -44.216 4.199   -31.403 1.00 22.52 ? 42  THR B CG2 1 
ATOM   310  N  N   . HIS A 1 37  ? -44.376 0.764   -32.442 1.00 17.40 ? 43  HIS B N   1 
ATOM   311  C  CA  . HIS A 1 37  ? -43.539 0.260   -33.568 1.00 16.44 ? 43  HIS B CA  1 
ATOM   312  C  C   . HIS A 1 37  ? -42.568 1.334   -34.023 1.00 17.21 ? 43  HIS B C   1 
ATOM   313  O  O   . HIS A 1 37  ? -43.006 2.505   -34.250 1.00 17.53 ? 43  HIS B O   1 
ATOM   314  C  CB  . HIS A 1 37  ? -44.472 -0.227  -34.690 1.00 15.67 ? 43  HIS B CB  1 
ATOM   315  C  CG  . HIS A 1 37  ? -43.847 -0.883  -35.873 1.00 15.12 ? 43  HIS B CG  1 
ATOM   316  N  ND1 . HIS A 1 37  ? -43.018 -0.233  -36.787 1.00 15.31 ? 43  HIS B ND1 1 
ATOM   317  C  CD2 . HIS A 1 37  ? -43.957 -2.151  -36.301 1.00 14.99 ? 43  HIS B CD2 1 
ATOM   318  C  CE1 . HIS A 1 37  ? -42.692 -1.074  -37.742 1.00 15.29 ? 43  HIS B CE1 1 
ATOM   319  N  NE2 . HIS A 1 37  ? -43.246 -2.294  -37.458 1.00 15.48 ? 43  HIS B NE2 1 
ATOM   320  N  N   . GLN A 1 38  ? -41.286 0.994   -34.230 1.00 14.90 ? 44  GLN B N   1 
ATOM   321  C  CA  . GLN A 1 38  ? -40.233 1.988   -34.519 1.00 14.96 ? 44  GLN B CA  1 
ATOM   322  C  C   . GLN A 1 38  ? -40.010 2.212   -36.027 1.00 17.67 ? 44  GLN B C   1 
ATOM   323  O  O   . GLN A 1 38  ? -38.939 2.762   -36.423 1.00 17.50 ? 44  GLN B O   1 
ATOM   324  C  CB  . GLN A 1 38  ? -38.957 1.598   -33.786 1.00 14.94 ? 44  GLN B CB  1 
ATOM   325  C  CG  . GLN A 1 38  ? -39.100 1.704   -32.297 1.00 14.30 ? 44  GLN B CG  1 
ATOM   326  C  CD  . GLN A 1 38  ? -39.583 3.052   -31.832 1.00 14.88 ? 44  GLN B CD  1 
ATOM   327  O  OE1 . GLN A 1 38  ? -40.553 3.208   -31.071 1.00 18.36 ? 44  GLN B OE1 1 
ATOM   328  N  NE2 . GLN A 1 38  ? -38.936 4.087   -32.301 1.00 13.94 ? 44  GLN B NE2 1 
ATOM   329  N  N   . ASN A 1 39  ? -40.973 1.874   -36.862 1.00 16.66 ? 45  ASN B N   1 
ATOM   330  C  CA  . ASN A 1 39  ? -41.010 2.376   -38.277 1.00 14.61 ? 45  ASN B CA  1 
ATOM   331  C  C   . ASN A 1 39  ? -39.920 1.731   -39.121 1.00 16.98 ? 45  ASN B C   1 
ATOM   332  O  O   . ASN A 1 39  ? -39.444 2.353   -40.088 1.00 18.80 ? 45  ASN B O   1 
ATOM   333  C  CB  . ASN A 1 39  ? -41.076 3.918   -38.350 1.00 16.61 ? 45  ASN B CB  1 
ATOM   334  C  CG  . ASN A 1 39  ? -41.670 4.404   -39.670 1.00 16.56 ? 45  ASN B CG  1 
ATOM   335  O  OD1 . ASN A 1 39  ? -42.522 3.743   -40.248 1.00 15.33 ? 45  ASN B OD1 1 
ATOM   336  N  ND2 . ASN A 1 39  ? -41.273 5.609   -40.138 1.00 15.57 ? 45  ASN B ND2 1 
ATOM   337  N  N   . VAL A 1 40  ? -39.623 0.465   -38.864 1.00 17.84 ? 46  VAL B N   1 
ATOM   338  C  CA  . VAL A 1 40  ? -38.660 -0.354  -39.640 1.00 18.62 ? 46  VAL B CA  1 
ATOM   339  C  C   . VAL A 1 40  ? -39.431 -1.412  -40.440 1.00 17.17 ? 46  VAL B C   1 
ATOM   340  O  O   . VAL A 1 40  ? -40.529 -1.802  -40.009 1.00 18.04 ? 46  VAL B O   1 
ATOM   341  C  CB  . VAL A 1 40  ? -37.612 -1.003  -38.726 1.00 19.78 ? 46  VAL B CB  1 
ATOM   342  C  CG1 . VAL A 1 40  ? -36.696 0.070   -38.146 1.00 22.21 ? 46  VAL B CG1 1 
ATOM   343  C  CG2 . VAL A 1 40  ? -38.222 -1.848  -37.622 1.00 21.18 ? 46  VAL B CG2 1 
ATOM   344  N  N   . SER A 1 41  ? -38.857 -1.891  -41.538 1.00 18.63 ? 47  SER B N   1 
ATOM   345  C  CA  . SER A 1 41  ? -39.427 -3.040  -42.274 1.00 18.60 ? 47  SER B CA  1 
ATOM   346  C  C   . SER A 1 41  ? -39.243 -4.348  -41.507 1.00 19.87 ? 47  SER B C   1 
ATOM   347  O  O   . SER A 1 41  ? -38.290 -4.444  -40.717 1.00 17.73 ? 47  SER B O   1 
ATOM   348  C  CB  . SER A 1 41  ? -38.839 -3.127  -43.651 1.00 20.46 ? 47  SER B CB  1 
ATOM   349  O  OG  . SER A 1 41  ? -37.455 -3.404  -43.603 1.00 23.56 ? 47  SER B OG  1 
ATOM   350  N  N   . ASP A 1 42  ? -40.106 -5.335  -41.730 1.00 18.71 ? 48  ASP B N   1 
ATOM   351  C  CA  . ASP A 1 42  ? -39.982 -6.690  -41.147 1.00 18.04 ? 48  ASP B CA  1 
ATOM   352  C  C   . ASP A 1 42  ? -38.913 -7.421  -41.941 1.00 20.41 ? 48  ASP B C   1 
ATOM   353  O  O   . ASP A 1 42  ? -38.652 -7.073  -43.119 1.00 19.89 ? 48  ASP B O   1 
ATOM   354  C  CB  . ASP A 1 42  ? -41.316 -7.449  -41.105 1.00 20.52 ? 48  ASP B CB  1 
ATOM   355  C  CG  . ASP A 1 42  ? -41.413 -8.447  -39.936 1.00 24.35 ? 48  ASP B CG  1 
ATOM   356  O  OD1 . ASP A 1 42  ? -40.409 -8.604  -39.205 1.00 19.05 ? 48  ASP B OD1 1 
ATOM   357  O  OD2 . ASP A 1 42  ? -42.548 -8.962  -39.640 1.00 26.43 ? 48  ASP B OD2 1 
ATOM   358  N  N   . ASN A 1 43  ? -38.305 -8.440  -41.323 1.00 17.34 ? 49  ASN B N   1 
ATOM   359  C  CA  . ASN A 1 43  ? -37.305 -9.315  -41.974 1.00 18.67 ? 49  ASN B CA  1 
ATOM   360  C  C   . ASN A 1 43  ? -37.268 -10.605 -41.167 1.00 19.64 ? 49  ASN B C   1 
ATOM   361  O  O   . ASN A 1 43  ? -37.849 -10.652 -40.051 1.00 18.49 ? 49  ASN B O   1 
ATOM   362  C  CB  . ASN A 1 43  ? -35.964 -8.640  -42.160 1.00 17.70 ? 49  ASN B CB  1 
ATOM   363  C  CG  . ASN A 1 43  ? -35.249 -8.404  -40.849 1.00 18.47 ? 49  ASN B CG  1 
ATOM   364  O  OD1 . ASN A 1 43  ? -35.045 -9.348  -40.106 1.00 20.57 ? 49  ASN B OD1 1 
ATOM   365  N  ND2 . ASN A 1 43  ? -34.864 -7.202  -40.562 1.00 17.20 ? 49  ASN B ND2 1 
ATOM   366  N  N   . LYS A 1 44  ? -36.657 -11.632 -41.719 1.00 21.06 ? 50  LYS B N   1 
ATOM   367  C  CA  . LYS A 1 44  ? -36.701 -12.972 -41.108 1.00 22.71 ? 50  LYS B CA  1 
ATOM   368  C  C   . LYS A 1 44  ? -35.788 -13.018 -39.870 1.00 18.89 ? 50  LYS B C   1 
ATOM   369  O  O   . LYS A 1 44  ? -35.972 -13.981 -39.115 1.00 20.29 ? 50  LYS B O   1 
ATOM   370  C  CB  . LYS A 1 44  ? -36.237 -14.007 -42.139 1.00 25.71 ? 50  LYS B CB  1 
ATOM   371  C  CG  . LYS A 1 44  ? -34.798 -13.834 -42.590 1.00 30.72 ? 50  LYS B CG  1 
ATOM   372  C  CD  . LYS A 1 44  ? -34.309 -14.966 -43.483 1.00 41.76 ? 50  LYS B CD  1 
ATOM   373  C  CE  . LYS A 1 44  ? -32.813 -14.935 -43.695 1.00 45.66 ? 50  LYS B CE  1 
ATOM   374  N  NZ  . LYS A 1 44  ? -32.429 -15.814 -44.828 1.00 50.63 ? 50  LYS B NZ  1 
ATOM   375  N  N   . GLU A 1 45  ? -34.901 -12.043 -39.679 1.00 18.10 ? 51  GLU B N   1 
ATOM   376  C  CA  . GLU A 1 45  ? -33.984 -12.030 -38.491 1.00 17.87 ? 51  GLU B CA  1 
ATOM   377  C  C   . GLU A 1 45  ? -34.708 -11.515 -37.238 1.00 17.04 ? 51  GLU B C   1 
ATOM   378  O  O   . GLU A 1 45  ? -34.267 -11.824 -36.094 1.00 17.85 ? 51  GLU B O   1 
ATOM   379  C  CB  . GLU A 1 45  ? -32.757 -11.169 -38.726 1.00 20.19 ? 51  GLU B CB  1 
ATOM   380  C  CG  . GLU A 1 45  ? -31.908 -11.558 -39.941 1.00 24.79 ? 51  GLU B CG  1 
ATOM   381  C  CD  . GLU A 1 45  ? -30.683 -10.664 -40.097 1.00 32.20 ? 51  GLU B CD  1 
ATOM   382  O  OE1 . GLU A 1 45  ? -30.599 -9.947  -41.132 1.00 44.32 ? 51  GLU B OE1 1 
ATOM   383  O  OE2 . GLU A 1 45  ? -29.827 -10.617 -39.189 1.00 38.65 ? 51  GLU B OE2 1 
ATOM   384  N  N   . ARG A 1 46  ? -35.721 -10.662 -37.365 1.00 15.62 ? 52  ARG B N   1 
ATOM   385  C  CA  . ARG A 1 46  ? -36.244 -9.963  -36.170 1.00 15.02 ? 52  ARG B CA  1 
ATOM   386  C  C   . ARG A 1 46  ? -36.954 -10.906 -35.210 1.00 14.11 ? 52  ARG B C   1 
ATOM   387  O  O   . ARG A 1 46  ? -37.821 -11.725 -35.591 1.00 15.40 ? 52  ARG B O   1 
ATOM   388  C  CB  . ARG A 1 46  ? -37.240 -8.851  -36.537 1.00 14.94 ? 52  ARG B CB  1 
ATOM   389  C  CG  . ARG A 1 46  ? -36.672 -7.752  -37.403 1.00 15.41 ? 52  ARG B CG  1 
ATOM   390  C  CD  . ARG A 1 46  ? -37.583 -6.516  -37.349 1.00 14.44 ? 52  ARG B CD  1 
ATOM   391  N  NE  . ARG A 1 46  ? -37.061 -5.506  -38.246 1.00 15.82 ? 52  ARG B NE  1 
ATOM   392  C  CZ  . ARG A 1 46  ? -35.953 -4.797  -38.034 1.00 16.32 ? 52  ARG B CZ  1 
ATOM   393  N  NH1 . ARG A 1 46  ? -35.331 -4.806  -36.852 1.00 15.12 ? 52  ARG B NH1 1 
ATOM   394  N  NH2 . ARG A 1 46  ? -35.506 -3.991  -38.978 1.00 19.81 ? 52  ARG B NH2 1 
ATOM   395  N  N   . PHE A 1 47  ? -36.671 -10.792 -33.903 1.00 12.78 ? 53  PHE B N   1 
ATOM   396  C  CA  . PHE A 1 47  ? -37.465 -11.497 -32.896 1.00 13.12 ? 53  PHE B CA  1 
ATOM   397  C  C   . PHE A 1 47  ? -38.890 -10.904 -32.887 1.00 14.78 ? 53  PHE B C   1 
ATOM   398  O  O   . PHE A 1 47  ? -39.038 -9.700  -32.613 1.00 16.15 ? 53  PHE B O   1 
ATOM   399  C  CB  . PHE A 1 47  ? -36.834 -11.395 -31.519 1.00 12.67 ? 53  PHE B CB  1 
ATOM   400  C  CG  . PHE A 1 47  ? -35.589 -12.241 -31.403 1.00 11.70 ? 53  PHE B CG  1 
ATOM   401  C  CD1 . PHE A 1 47  ? -35.682 -13.610 -31.140 1.00 12.21 ? 53  PHE B CD1 1 
ATOM   402  C  CD2 . PHE A 1 47  ? -34.335 -11.685 -31.509 1.00 12.70 ? 53  PHE B CD2 1 
ATOM   403  C  CE1 . PHE A 1 47  ? -34.551 -14.400 -31.015 1.00 13.12 ? 53  PHE B CE1 1 
ATOM   404  C  CE2 . PHE A 1 47  ? -33.200 -12.487 -31.365 1.00 13.13 ? 53  PHE B CE2 1 
ATOM   405  C  CZ  . PHE A 1 47  ? -33.319 -13.845 -31.144 1.00 11.71 ? 53  PHE B CZ  1 
ATOM   406  N  N   . SER A 1 48  ? -39.907 -11.694 -33.146 1.00 15.69 ? 54  SER B N   1 
ATOM   407  C  CA  . SER A 1 48  ? -41.280 -11.141 -33.307 1.00 17.53 ? 54  SER B CA  1 
ATOM   408  C  C   . SER A 1 48  ? -42.020 -11.054 -31.990 1.00 16.03 ? 54  SER B C   1 
ATOM   409  O  O   . SER A 1 48  ? -42.825 -10.089 -31.821 1.00 18.45 ? 54  SER B O   1 
ATOM   410  C  CB  . SER A 1 48  ? -42.057 -11.967 -34.300 1.00 17.78 ? 54  SER B CB  1 
ATOM   411  O  OG  . SER A 1 48  ? -42.145 -13.314 -33.938 1.00 17.92 ? 54  SER B OG  1 
ATOM   412  N  N   . ASN A 1 49  ? -41.904 -12.012 -31.093 1.00 16.01 ? 55  ASN B N   1 
ATOM   413  C  CA  . ASN A 1 49  ? -42.826 -12.160 -29.944 1.00 16.79 ? 55  ASN B CA  1 
ATOM   414  C  C   . ASN A 1 49  ? -42.310 -11.472 -28.679 1.00 16.03 ? 55  ASN B C   1 
ATOM   415  O  O   . ASN A 1 49  ? -43.060 -11.352 -27.698 1.00 17.49 ? 55  ASN B O   1 
ATOM   416  C  CB  . ASN A 1 49  ? -43.172 -13.615 -29.652 1.00 17.31 ? 55  ASN B CB  1 
ATOM   417  C  CG  . ASN A 1 49  ? -44.084 -14.236 -30.690 1.00 20.98 ? 55  ASN B CG  1 
ATOM   418  O  OD1 . ASN A 1 49  ? -43.917 -14.041 -31.894 1.00 22.80 ? 55  ASN B OD1 1 
ATOM   419  N  ND2 . ASN A 1 49  ? -45.031 -15.019 -30.189 1.00 26.23 ? 55  ASN B ND2 1 
ATOM   420  N  N   . TYR A 1 50  ? -41.000 -11.148 -28.646 1.00 13.62 ? 56  TYR B N   1 
ATOM   421  C  CA  . TYR A 1 50  ? -40.388 -10.667 -27.398 1.00 13.21 ? 56  TYR B CA  1 
ATOM   422  C  C   . TYR A 1 50  ? -39.452 -9.510  -27.722 1.00 12.41 ? 56  TYR B C   1 
ATOM   423  O  O   . TYR A 1 50  ? -38.921 -9.443  -28.835 1.00 13.62 ? 56  TYR B O   1 
ATOM   424  C  CB  . TYR A 1 50  ? -39.562 -11.780 -26.754 1.00 13.31 ? 56  TYR B CB  1 
ATOM   425  C  CG  . TYR A 1 50  ? -40.281 -13.104 -26.624 1.00 14.60 ? 56  TYR B CG  1 
ATOM   426  C  CD1 . TYR A 1 50  ? -41.268 -13.294 -25.669 1.00 17.46 ? 56  TYR B CD1 1 
ATOM   427  C  CD2 . TYR A 1 50  ? -40.005 -14.153 -27.480 1.00 15.56 ? 56  TYR B CD2 1 
ATOM   428  C  CE1 . TYR A 1 50  ? -41.953 -14.510 -25.550 1.00 18.89 ? 56  TYR B CE1 1 
ATOM   429  C  CE2 . TYR A 1 50  ? -40.710 -15.351 -27.415 1.00 17.08 ? 56  TYR B CE2 1 
ATOM   430  C  CZ  . TYR A 1 50  ? -41.651 -15.542 -26.414 1.00 17.32 ? 56  TYR B CZ  1 
ATOM   431  O  OH  . TYR A 1 50  ? -42.289 -16.772 -26.350 1.00 17.73 ? 56  TYR B OH  1 
ATOM   432  N  N   . PRO A 1 51  ? -39.131 -8.633  -26.755 1.00 12.09 ? 57  PRO B N   1 
ATOM   433  C  CA  . PRO A 1 51  ? -38.288 -7.459  -27.017 1.00 12.06 ? 57  PRO B CA  1 
ATOM   434  C  C   . PRO A 1 51  ? -36.773 -7.770  -26.987 1.00 11.64 ? 57  PRO B C   1 
ATOM   435  O  O   . PRO A 1 51  ? -36.018 -7.238  -26.185 1.00 12.27 ? 57  PRO B O   1 
ATOM   436  C  CB  . PRO A 1 51  ? -38.697 -6.426  -25.938 1.00 15.33 ? 57  PRO B CB  1 
ATOM   437  C  CG  . PRO A 1 51  ? -39.669 -7.117  -25.039 1.00 15.33 ? 57  PRO B CG  1 
ATOM   438  C  CD  . PRO A 1 51  ? -39.766 -8.544  -25.456 1.00 13.07 ? 57  PRO B CD  1 
ATOM   439  N  N   . MET A 1 52  ? -36.380 -8.647  -27.921 1.00 11.41 ? 58  MET B N   1 
ATOM   440  C  CA  . MET A 1 52  ? -35.015 -9.231  -27.980 1.00 10.76 ? 58  MET B CA  1 
ATOM   441  C  C   . MET A 1 52  ? -34.217 -8.635  -29.134 1.00 11.03 ? 58  MET B C   1 
ATOM   442  O  O   . MET A 1 52  ? -34.745 -8.168  -30.186 1.00 11.70 ? 58  MET B O   1 
ATOM   443  C  CB  . MET A 1 52  ? -35.125 -10.745 -28.157 1.00 11.07 ? 58  MET B CB  1 
ATOM   444  C  CG  . MET A 1 52  ? -35.693 -11.423 -26.987 1.00 10.66 ? 58  MET B CG  1 
ATOM   445  S  SD  . MET A 1 52  ? -36.171 -13.142 -27.361 1.00 12.93 ? 58  MET B SD  1 
ATOM   446  C  CE  . MET A 1 52  ? -36.733 -13.739 -25.774 1.00 12.99 ? 58  MET B CE  1 
ATOM   447  N  N   . VAL A 1 53  ? -32.891 -8.695  -28.983 1.00 10.94 ? 59  VAL B N   1 
ATOM   448  C  CA  . VAL A 1 53  ? -31.925 -8.257  -30.020 1.00 10.63 ? 59  VAL B CA  1 
ATOM   449  C  C   . VAL A 1 53  ? -30.621 -9.042  -29.817 1.00 11.31 ? 59  VAL B C   1 
ATOM   450  O  O   . VAL A 1 53  ? -30.308 -9.411  -28.649 1.00 11.55 ? 59  VAL B O   1 
ATOM   451  C  CB  . VAL A 1 53  ? -31.722 -6.719  -29.986 1.00 11.42 ? 59  VAL B CB  1 
ATOM   452  C  CG1 . VAL A 1 53  ? -31.185 -6.241  -28.659 1.00 12.03 ? 59  VAL B CG1 1 
ATOM   453  C  CG2 . VAL A 1 53  ? -30.858 -6.205  -31.129 1.00 12.59 ? 59  VAL B CG2 1 
ATOM   454  N  N   . LEU A 1 54  ? -29.866 -9.234  -30.870 1.00 11.27 ? 60  LEU B N   1 
ATOM   455  C  CA  . LEU A 1 54  ? -28.529 -9.886  -30.811 1.00 11.21 ? 60  LEU B CA  1 
ATOM   456  C  C   . LEU A 1 54  ? -27.416 -8.867  -30.937 1.00 11.95 ? 60  LEU B C   1 
ATOM   457  O  O   . LEU A 1 54  ? -27.550 -7.785  -31.623 1.00 12.93 ? 60  LEU B O   1 
ATOM   458  C  CB  . LEU A 1 54  ? -28.364 -10.947 -31.899 1.00 11.96 ? 60  LEU B CB  1 
ATOM   459  C  CG  . LEU A 1 54  ? -29.435 -12.020 -31.947 1.00 12.57 ? 60  LEU B CG  1 
ATOM   460  C  CD1 . LEU A 1 54  ? -29.126 -13.120 -32.963 1.00 14.70 ? 60  LEU B CD1 1 
ATOM   461  C  CD2 . LEU A 1 54  ? -29.633 -12.646 -30.572 1.00 13.44 ? 60  LEU B CD2 1 
ATOM   462  N  N   . GLY A 1 55  ? -26.257 -9.198  -30.403 1.00 11.65 ? 61  GLY B N   1 
ATOM   463  C  CA  . GLY A 1 55  ? -25.007 -8.507  -30.770 1.00 12.25 ? 61  GLY B CA  1 
ATOM   464  C  C   . GLY A 1 55  ? -24.610 -8.829  -32.209 1.00 12.41 ? 61  GLY B C   1 
ATOM   465  O  O   . GLY A 1 55  ? -24.928 -9.907  -32.680 1.00 13.07 ? 61  GLY B O   1 
ATOM   466  N  N   . ALA A 1 56  ? -23.831 -7.950  -32.801 1.00 14.30 ? 62  ALA B N   1 
ATOM   467  C  CA  . ALA A 1 56  ? -23.337 -8.135  -34.183 1.00 15.64 ? 62  ALA B CA  1 
ATOM   468  C  C   . ALA A 1 56  ? -22.235 -9.189  -34.219 1.00 16.13 ? 62  ALA B C   1 
ATOM   469  O  O   . ALA A 1 56  ? -22.126 -9.875  -35.225 1.00 19.42 ? 62  ALA B O   1 
ATOM   470  C  CB  . ALA A 1 56  ? -22.865 -6.795  -34.662 1.00 17.43 ? 62  ALA B CB  1 
ATOM   471  N  N   . GLN A 1 57  ? -21.478 -9.302  -33.151 1.00 15.08 ? 63  GLN B N   1 
ATOM   472  C  CA  . GLN A 1 57  ? -20.279 -10.170 -33.144 1.00 14.84 ? 63  GLN B CA  1 
ATOM   473  C  C   . GLN A 1 57  ? -20.711 -11.638 -33.124 1.00 16.28 ? 63  GLN B C   1 
ATOM   474  O  O   . GLN A 1 57  ? -21.724 -11.988 -32.472 1.00 16.68 ? 63  GLN B O   1 
ATOM   475  C  CB  . GLN A 1 57  ? -19.421 -9.835  -31.916 1.00 17.37 ? 63  GLN B CB  1 
ATOM   476  C  CG  . GLN A 1 57  ? -18.737 -8.475  -31.970 1.00 19.53 ? 63  GLN B CG  1 
ATOM   477  C  CD  . GLN A 1 57  ? -19.706 -7.309  -31.871 1.00 19.89 ? 63  GLN B CD  1 
ATOM   478  O  OE1 . GLN A 1 57  ? -20.651 -7.340  -31.101 1.00 17.90 ? 63  GLN B OE1 1 
ATOM   479  N  NE2 . GLN A 1 57  ? -19.442 -6.236  -32.578 1.00 21.79 ? 63  GLN B NE2 1 
ATOM   480  N  N   . ARG A 1 58  ? -19.999 -12.509 -33.852 1.00 16.44 ? 64  ARG B N   1 
ATOM   481  C  CA  . ARG A 1 58  ? -20.147 -13.965 -33.804 1.00 17.39 ? 64  ARG B CA  1 
ATOM   482  C  C   . ARG A 1 58  ? -18.864 -14.586 -33.256 1.00 15.90 ? 64  ARG B C   1 
ATOM   483  O  O   . ARG A 1 58  ? -17.759 -14.130 -33.610 1.00 18.39 ? 64  ARG B O   1 
ATOM   484  C  CB  . ARG A 1 58  ? -20.336 -14.536 -35.216 1.00 21.52 ? 64  ARG B CB  1 
ATOM   485  C  CG  . ARG A 1 58  ? -21.731 -14.412 -35.826 1.00 30.50 ? 64  ARG B CG  1 
ATOM   486  C  CD  . ARG A 1 58  ? -22.161 -12.960 -35.854 1.00 32.28 ? 64  ARG B CD  1 
ATOM   487  N  NE  . ARG A 1 58  ? -23.090 -12.352 -36.817 1.00 38.22 ? 64  ARG B NE  1 
ATOM   488  C  CZ  . ARG A 1 58  ? -23.762 -12.942 -37.796 1.00 35.96 ? 64  ARG B CZ  1 
ATOM   489  N  NH1 . ARG A 1 58  ? -24.564 -12.207 -38.548 1.00 41.36 ? 64  ARG B NH1 1 
ATOM   490  N  NH2 . ARG A 1 58  ? -23.662 -14.233 -38.027 1.00 38.05 ? 64  ARG B NH2 1 
ATOM   491  N  N   . PHE A 1 59  ? -18.990 -15.516 -32.338 1.00 15.58 ? 65  PHE B N   1 
ATOM   492  C  CA  . PHE A 1 59  ? -17.824 -16.155 -31.680 1.00 15.15 ? 65  PHE B CA  1 
ATOM   493  C  C   . PHE A 1 59  ? -17.865 -17.646 -31.944 1.00 14.23 ? 65  PHE B C   1 
ATOM   494  O  O   . PHE A 1 59  ? -18.873 -18.285 -31.692 1.00 14.00 ? 65  PHE B O   1 
ATOM   495  C  CB  . PHE A 1 59  ? -17.867 -15.869 -30.161 1.00 16.38 ? 65  PHE B CB  1 
ATOM   496  C  CG  . PHE A 1 59  ? -17.844 -14.396 -29.820 1.00 18.65 ? 65  PHE B CG  1 
ATOM   497  C  CD1 . PHE A 1 59  ? -16.817 -13.581 -30.285 1.00 20.45 ? 65  PHE B CD1 1 
ATOM   498  C  CD2 . PHE A 1 59  ? -18.850 -13.819 -29.086 1.00 25.09 ? 65  PHE B CD2 1 
ATOM   499  C  CE1 . PHE A 1 59  ? -16.758 -12.226 -29.982 1.00 23.95 ? 65  PHE B CE1 1 
ATOM   500  C  CE2 . PHE A 1 59  ? -18.785 -12.466 -28.768 1.00 21.34 ? 65  PHE B CE2 1 
ATOM   501  C  CZ  . PHE A 1 59  ? -17.782 -11.679 -29.272 1.00 22.03 ? 65  PHE B CZ  1 
ATOM   502  N  N   A SER A 1 60  ? -16.757 -18.226 -32.425 0.25 14.46 ? 66  SER B N   1 
ATOM   503  N  N   B SER A 1 60  ? -16.752 -18.213 -32.430 0.25 15.14 ? 66  SER B N   1 
ATOM   504  C  CA  A SER A 1 60  ? -16.673 -19.685 -32.701 0.25 14.75 ? 66  SER B CA  1 
ATOM   505  C  CA  B SER A 1 60  ? -16.623 -19.660 -32.749 0.25 16.00 ? 66  SER B CA  1 
ATOM   506  C  C   A SER A 1 60  ? -15.436 -20.306 -32.032 0.25 14.86 ? 66  SER B C   1 
ATOM   507  C  C   B SER A 1 60  ? -15.371 -20.252 -32.100 0.25 16.15 ? 66  SER B C   1 
ATOM   508  O  O   A SER A 1 60  ? -15.275 -21.542 -32.118 0.25 14.90 ? 66  SER B O   1 
ATOM   509  O  O   B SER A 1 60  ? -14.993 -21.376 -32.474 0.25 16.10 ? 66  SER B O   1 
ATOM   510  C  CB  A SER A 1 60  ? -16.733 -19.949 -34.201 0.25 14.72 ? 66  SER B CB  1 
ATOM   511  C  CB  B SER A 1 60  ? -16.549 -19.870 -34.234 0.25 15.96 ? 66  SER B CB  1 
ATOM   512  O  OG  A SER A 1 60  ? -18.074 -19.764 -34.685 0.25 14.68 ? 66  SER B OG  1 
ATOM   513  O  OG  B SER A 1 60  ? -15.521 -19.069 -34.761 0.25 17.62 ? 66  SER B OG  1 
ATOM   514  N  N   A SER A 1 61  ? -14.643 -19.498 -31.323 0.25 14.65 ? 67  SER B N   1 
ATOM   515  N  N   B SER A 1 61  ? -14.743 -19.519 -31.187 0.25 16.47 ? 67  SER B N   1 
ATOM   516  C  CA  A SER A 1 61  ? -13.454 -19.956 -30.566 0.25 15.75 ? 67  SER B CA  1 
ATOM   517  C  CA  B SER A 1 61  ? -13.461 -19.925 -30.576 0.25 17.83 ? 67  SER B CA  1 
ATOM   518  C  C   A SER A 1 61  ? -13.126 -18.959 -29.456 0.25 16.05 ? 67  SER B C   1 
ATOM   519  C  C   B SER A 1 61  ? -13.040 -18.909 -29.517 0.25 17.20 ? 67  SER B C   1 
ATOM   520  O  O   A SER A 1 61  ? -13.697 -17.860 -29.464 0.25 15.52 ? 67  SER B O   1 
ATOM   521  O  O   B SER A 1 61  ? -13.445 -17.736 -29.634 0.25 16.15 ? 67  SER B O   1 
ATOM   522  C  CB  A SER A 1 61  ? -12.278 -20.105 -31.494 0.25 15.95 ? 67  SER B CB  1 
ATOM   523  C  CB  B SER A 1 61  ? -12.425 -20.050 -31.659 0.25 19.06 ? 67  SER B CB  1 
ATOM   524  O  OG  A SER A 1 61  ? -11.827 -18.829 -31.906 0.25 15.88 ? 67  SER B OG  1 
ATOM   525  O  OG  B SER A 1 61  ? -11.181 -20.422 -31.105 0.25 21.62 ? 67  SER B OG  1 
ATOM   526  N  N   . GLY A 1 62  ? -12.220 -19.340 -28.557 1.00 17.34 ? 68  GLY B N   1 
ATOM   527  C  CA  . GLY A 1 62  ? -11.593 -18.398 -27.625 1.00 18.48 ? 68  GLY B CA  1 
ATOM   528  C  C   . GLY A 1 62  ? -12.420 -18.067 -26.399 1.00 15.72 ? 68  GLY B C   1 
ATOM   529  O  O   . GLY A 1 62  ? -13.453 -18.709 -26.149 1.00 16.35 ? 68  GLY B O   1 
ATOM   530  N  N   . LYS A 1 63  ? -11.920 -17.074 -25.693 1.00 15.61 ? 69  LYS B N   1 
ATOM   531  C  CA  . LYS A 1 63  ? -12.497 -16.592 -24.438 1.00 15.68 ? 69  LYS B CA  1 
ATOM   532  C  C   . LYS A 1 63  ? -12.923 -15.153 -24.697 1.00 15.02 ? 69  LYS B C   1 
ATOM   533  O  O   . LYS A 1 63  ? -12.143 -14.364 -25.219 1.00 17.43 ? 69  LYS B O   1 
ATOM   534  C  CB  . LYS A 1 63  ? -11.468 -16.719 -23.324 1.00 16.69 ? 69  LYS B CB  1 
ATOM   535  C  CG  . LYS A 1 63  ? -11.083 -18.142 -22.942 1.00 17.76 ? 69  LYS B CG  1 
ATOM   536  C  CD  . LYS A 1 63  ? -9.896  -18.219 -21.934 1.00 21.56 ? 69  LYS B CD  1 
ATOM   537  C  CE  . LYS A 1 63  ? -9.582  -19.625 -21.472 1.00 24.21 ? 69  LYS B CE  1 
ATOM   538  N  NZ  . LYS A 1 63  ? -8.503  -19.600 -20.456 1.00 28.44 ? 69  LYS B NZ  1 
ATOM   539  N  N   . MET A 1 64  ? -14.135 -14.802 -24.277 1.00 13.79 ? 70  MET B N   1 
ATOM   540  C  CA  . MET A 1 64  ? -14.755 -13.477 -24.468 1.00 14.20 ? 70  MET B CA  1 
ATOM   541  C  C   . MET A 1 64  ? -15.427 -13.023 -23.176 1.00 13.39 ? 70  MET B C   1 
ATOM   542  O  O   . MET A 1 64  ? -15.998 -13.852 -22.482 1.00 14.86 ? 70  MET B O   1 
ATOM   543  C  CB  . MET A 1 64  ? -15.855 -13.584 -25.508 1.00 14.81 ? 70  MET B CB  1 
ATOM   544  C  CG  . MET A 1 64  ? -15.432 -13.757 -26.950 1.00 15.89 ? 70  MET B CG  1 
ATOM   545  S  SD  . MET A 1 64  ? -14.695 -15.340 -27.457 1.00 18.25 ? 70  MET B SD  1 
ATOM   546  C  CE  . MET A 1 64  ? -15.885 -16.557 -26.994 1.00 16.74 ? 70  MET B CE  1 
ATOM   547  N  N   . TYR A 1 65  ? -15.417 -11.739 -22.914 1.00 13.94 ? 71  TYR B N   1 
ATOM   548  C  CA  . TYR A 1 65  ? -15.994 -11.166 -21.681 1.00 14.28 ? 71  TYR B CA  1 
ATOM   549  C  C   . TYR A 1 65  ? -16.604 -9.817  -22.029 1.00 14.67 ? 71  TYR B C   1 
ATOM   550  O  O   . TYR A 1 65  ? -15.969 -8.999  -22.790 1.00 15.22 ? 71  TYR B O   1 
ATOM   551  C  CB  . TYR A 1 65  ? -14.931 -10.979 -20.598 1.00 15.95 ? 71  TYR B CB  1 
ATOM   552  C  CG  . TYR A 1 65  ? -15.443 -10.384 -19.314 1.00 14.70 ? 71  TYR B CG  1 
ATOM   553  C  CD1 . TYR A 1 65  ? -16.173 -11.143 -18.412 1.00 15.14 ? 71  TYR B CD1 1 
ATOM   554  C  CD2 . TYR A 1 65  ? -15.275 -9.024  -19.051 1.00 15.45 ? 71  TYR B CD2 1 
ATOM   555  C  CE1 . TYR A 1 65  ? -16.687 -10.605 -17.237 1.00 15.54 ? 71  TYR B CE1 1 
ATOM   556  C  CE2 . TYR A 1 65  ? -15.792 -8.476  -17.883 1.00 14.61 ? 71  TYR B CE2 1 
ATOM   557  C  CZ  . TYR A 1 65  ? -16.497 -9.247  -16.996 1.00 14.70 ? 71  TYR B CZ  1 
ATOM   558  O  OH  . TYR A 1 65  ? -16.958 -8.678  -15.851 1.00 17.19 ? 71  TYR B OH  1 
ATOM   559  N  N   . TRP A 1 66  ? -17.818 -9.562  -21.563 1.00 12.32 ? 72  TRP B N   1 
ATOM   560  C  CA  . TRP A 1 66  ? -18.401 -8.202  -21.673 1.00 12.21 ? 72  TRP B CA  1 
ATOM   561  C  C   . TRP A 1 66  ? -19.298 -7.932  -20.454 1.00 12.96 ? 72  TRP B C   1 
ATOM   562  O  O   . TRP A 1 66  ? -19.615 -8.873  -19.709 1.00 13.43 ? 72  TRP B O   1 
ATOM   563  C  CB  . TRP A 1 66  ? -19.152 -7.998  -23.015 1.00 11.56 ? 72  TRP B CB  1 
ATOM   564  C  CG  . TRP A 1 66  ? -20.313 -8.900  -23.244 1.00 11.79 ? 72  TRP B CG  1 
ATOM   565  C  CD1 . TRP A 1 66  ? -21.648 -8.617  -23.041 1.00 12.31 ? 72  TRP B CD1 1 
ATOM   566  C  CD2 . TRP A 1 66  ? -20.306 -10.214 -23.824 1.00 12.48 ? 72  TRP B CD2 1 
ATOM   567  N  NE1 . TRP A 1 66  ? -22.426 -9.678  -23.438 1.00 12.50 ? 72  TRP B NE1 1 
ATOM   568  C  CE2 . TRP A 1 66  ? -21.623 -10.685 -23.893 1.00 12.91 ? 72  TRP B CE2 1 
ATOM   569  C  CE3 . TRP A 1 66  ? -19.286 -11.058 -24.265 1.00 14.87 ? 72  TRP B CE3 1 
ATOM   570  C  CZ2 . TRP A 1 66  ? -21.952 -11.934 -24.393 1.00 14.13 ? 72  TRP B CZ2 1 
ATOM   571  C  CZ3 . TRP A 1 66  ? -19.599 -12.280 -24.790 1.00 16.94 ? 72  TRP B CZ3 1 
ATOM   572  C  CH2 . TRP A 1 66  ? -20.909 -12.732 -24.817 1.00 15.57 ? 72  TRP B CH2 1 
ATOM   573  N  N   . GLU A 1 67  ? -19.724 -6.668  -20.286 1.00 13.16 ? 73  GLU B N   1 
ATOM   574  C  CA  . GLU A 1 67  ? -20.535 -6.247  -19.126 1.00 12.80 ? 73  GLU B CA  1 
ATOM   575  C  C   . GLU A 1 67  ? -21.738 -5.456  -19.603 1.00 12.96 ? 73  GLU B C   1 
ATOM   576  O  O   . GLU A 1 67  ? -21.646 -4.777  -20.614 1.00 13.92 ? 73  GLU B O   1 
ATOM   577  C  CB  . GLU A 1 67  ? -19.725 -5.403  -18.145 1.00 14.47 ? 73  GLU B CB  1 
ATOM   578  C  CG  . GLU A 1 67  ? -18.638 -6.246  -17.466 1.00 16.28 ? 73  GLU B CG  1 
ATOM   579  C  CD  . GLU A 1 67  ? -17.771 -5.497  -16.462 1.00 19.94 ? 73  GLU B CD  1 
ATOM   580  O  OE1 . GLU A 1 67  ? -17.887 -4.215  -16.445 1.00 24.12 ? 73  GLU B OE1 1 
ATOM   581  O  OE2 . GLU A 1 67  ? -16.947 -6.157  -15.722 1.00 18.56 ? 73  GLU B OE2 1 
ATOM   582  N  N   . VAL A 1 68  ? -22.850 -5.684  -18.921 1.00 12.64 ? 74  VAL B N   1 
ATOM   583  C  CA  . VAL A 1 68  ? -24.125 -5.029  -19.254 1.00 12.44 ? 74  VAL B CA  1 
ATOM   584  C  C   . VAL A 1 68  ? -24.699 -4.350  -18.007 1.00 12.05 ? 74  VAL B C   1 
ATOM   585  O  O   . VAL A 1 68  ? -24.792 -4.961  -16.932 1.00 12.85 ? 74  VAL B O   1 
ATOM   586  C  CB  . VAL A 1 68  ? -25.129 -6.052  -19.815 1.00 11.72 ? 74  VAL B CB  1 
ATOM   587  C  CG1 . VAL A 1 68  ? -26.400 -5.344  -20.247 1.00 13.85 ? 74  VAL B CG1 1 
ATOM   588  C  CG2 . VAL A 1 68  ? -24.517 -6.911  -20.916 1.00 13.23 ? 74  VAL B CG2 1 
ATOM   589  N  N   . ASP A 1 69  ? -25.166 -3.098  -18.157 1.00 12.31 ? 75  ASP B N   1 
ATOM   590  C  CA  . ASP A 1 69  ? -25.831 -2.301  -17.096 1.00 14.09 ? 75  ASP B CA  1 
ATOM   591  C  C   . ASP A 1 69  ? -27.319 -2.585  -17.139 1.00 12.23 ? 75  ASP B C   1 
ATOM   592  O  O   . ASP A 1 69  ? -27.927 -2.479  -18.273 1.00 13.04 ? 75  ASP B O   1 
ATOM   593  C  CB  . ASP A 1 69  ? -25.517 -0.811  -17.267 1.00 15.52 ? 75  ASP B CB  1 
ATOM   594  C  CG  . ASP A 1 69  ? -25.906 0.018   -16.053 1.00 18.56 ? 75  ASP B CG  1 
ATOM   595  O  OD1 . ASP A 1 69  ? -27.048 0.012   -15.688 1.00 17.57 ? 75  ASP B OD1 1 
ATOM   596  O  OD2 . ASP A 1 69  ? -24.987 0.525   -15.384 1.00 24.91 ? 75  ASP B OD2 1 
ATOM   597  N  N   . VAL A 1 70  ? -27.882 -2.989  -16.004 1.00 12.81 ? 76  VAL B N   1 
ATOM   598  C  CA  . VAL A 1 70  ? -29.315 -3.324  -15.833 1.00 13.01 ? 76  VAL B CA  1 
ATOM   599  C  C   . VAL A 1 70  ? -29.983 -2.414  -14.781 1.00 13.92 ? 76  VAL B C   1 
ATOM   600  O  O   . VAL A 1 70  ? -31.047 -2.758  -14.291 1.00 14.15 ? 76  VAL B O   1 
ATOM   601  C  CB  . VAL A 1 70  ? -29.462 -4.832  -15.509 1.00 13.17 ? 76  VAL B CB  1 
ATOM   602  C  CG1 . VAL A 1 70  ? -28.878 -5.743  -16.627 1.00 12.74 ? 76  VAL B CG1 1 
ATOM   603  C  CG2 . VAL A 1 70  ? -28.881 -5.248  -14.163 1.00 13.99 ? 76  VAL B CG2 1 
ATOM   604  N  N   . THR A 1 71  ? -29.350 -1.293  -14.446 1.00 14.44 ? 77  THR B N   1 
ATOM   605  C  CA  . THR A 1 71  ? -29.832 -0.381  -13.377 1.00 15.46 ? 77  THR B CA  1 
ATOM   606  C  C   . THR A 1 71  ? -31.329 -0.093  -13.563 1.00 16.56 ? 77  THR B C   1 
ATOM   607  O  O   . THR A 1 71  ? -31.746 0.270   -14.671 1.00 15.01 ? 77  THR B O   1 
ATOM   608  C  CB  . THR A 1 71  ? -29.049 0.928   -13.406 1.00 16.00 ? 77  THR B CB  1 
ATOM   609  O  OG1 . THR A 1 71  ? -27.664 0.659   -13.167 1.00 18.64 ? 77  THR B OG1 1 
ATOM   610  C  CG2 . THR A 1 71  ? -29.631 1.847   -12.350 1.00 18.60 ? 77  THR B CG2 1 
ATOM   611  N  N   . GLN A 1 72  ? -32.060 -0.206  -12.465 1.00 19.64 ? 78  GLN B N   1 
ATOM   612  C  CA  . GLN A 1 72  ? -33.494 0.106   -12.255 1.00 23.33 ? 78  GLN B CA  1 
ATOM   613  C  C   . GLN A 1 72  ? -34.417 -0.645  -13.219 1.00 22.92 ? 78  GLN B C   1 
ATOM   614  O  O   . GLN A 1 72  ? -35.622 -0.333  -13.254 1.00 26.93 ? 78  GLN B O   1 
ATOM   615  C  CB  . GLN A 1 72  ? -33.677 1.622   -12.203 1.00 30.28 ? 78  GLN B CB  1 
ATOM   616  C  CG  . GLN A 1 72  ? -33.450 2.360   -13.519 1.00 36.27 ? 78  GLN B CG  1 
ATOM   617  C  CD  . GLN A 1 72  ? -34.604 3.255   -13.922 1.00 39.23 ? 78  GLN B CD  1 
ATOM   618  O  OE1 . GLN A 1 72  ? -34.429 4.234   -14.649 1.00 38.91 ? 78  GLN B OE1 1 
ATOM   619  N  NE2 . GLN A 1 72  ? -35.808 2.882   -13.504 1.00 44.52 ? 78  GLN B NE2 1 
ATOM   620  N  N   . LYS A 1 73  ? -33.990 -1.726  -13.859 1.00 14.83 ? 79  LYS B N   1 
ATOM   621  C  CA  . LYS A 1 73  ? -34.960 -2.577  -14.567 1.00 14.15 ? 79  LYS B CA  1 
ATOM   622  C  C   . LYS A 1 73  ? -35.629 -3.641  -13.687 1.00 13.05 ? 79  LYS B C   1 
ATOM   623  O  O   . LYS A 1 73  ? -34.992 -4.188  -12.736 1.00 14.59 ? 79  LYS B O   1 
ATOM   624  C  CB  . LYS A 1 73  ? -34.261 -3.274  -15.746 1.00 14.61 ? 79  LYS B CB  1 
ATOM   625  C  CG  . LYS A 1 73  ? -33.797 -2.275  -16.824 1.00 14.77 ? 79  LYS B CG  1 
ATOM   626  C  CD  . LYS A 1 73  ? -33.282 -2.878  -18.104 1.00 15.70 ? 79  LYS B CD  1 
ATOM   627  C  CE  . LYS A 1 73  ? -34.327 -3.657  -18.877 1.00 13.75 ? 79  LYS B CE  1 
ATOM   628  N  NZ  . LYS A 1 73  ? -35.564 -2.864  -19.195 1.00 12.25 ? 79  LYS B NZ  1 
ATOM   629  N  N   . GLU A 1 74  ? -36.874 -3.924  -13.975 1.00 12.17 ? 80  GLU B N   1 
ATOM   630  C  CA  . GLU A 1 74  ? -37.704 -4.934  -13.295 1.00 12.64 ? 80  GLU B CA  1 
ATOM   631  C  C   . GLU A 1 74  ? -37.609 -6.310  -13.953 1.00 12.05 ? 80  GLU B C   1 
ATOM   632  O  O   . GLU A 1 74  ? -38.001 -7.308  -13.400 1.00 12.86 ? 80  GLU B O   1 
ATOM   633  C  CB  . GLU A 1 74  ? -39.189 -4.531  -13.273 1.00 13.78 ? 80  GLU B CB  1 
ATOM   634  C  CG  . GLU A 1 74  ? -39.482 -3.286  -12.487 1.00 16.23 ? 80  GLU B CG  1 
ATOM   635  C  CD  . GLU A 1 74  ? -40.961 -2.896  -12.597 1.00 16.69 ? 80  GLU B CD  1 
ATOM   636  O  OE1 . GLU A 1 74  ? -41.380 -2.057  -11.806 1.00 19.79 ? 80  GLU B OE1 1 
ATOM   637  O  OE2 . GLU A 1 74  ? -41.686 -3.453  -13.490 1.00 18.63 ? 80  GLU B OE2 1 
ATOM   638  N  N   . ALA A 1 75  ? -37.232 -6.344  -15.233 1.00 11.69 ? 81  ALA B N   1 
ATOM   639  C  CA  . ALA A 1 75  ? -37.227 -7.602  -16.001 1.00 11.62 ? 81  ALA B CA  1 
ATOM   640  C  C   . ALA A 1 75  ? -36.230 -7.465  -17.143 1.00 12.23 ? 81  ALA B C   1 
ATOM   641  O  O   . ALA A 1 75  ? -36.170 -6.408  -17.774 1.00 12.27 ? 81  ALA B O   1 
ATOM   642  C  CB  . ALA A 1 75  ? -38.595 -7.932  -16.566 1.00 12.33 ? 81  ALA B CB  1 
ATOM   643  N  N   . TRP A 1 76  ? -35.520 -8.556  -17.452 1.00 10.96 ? 82  TRP B N   1 
ATOM   644  C  CA  . TRP A 1 76  ? -34.552 -8.650  -18.581 1.00 11.24 ? 82  TRP B CA  1 
ATOM   645  C  C   . TRP A 1 76  ? -34.041 -10.078 -18.664 1.00 11.84 ? 82  TRP B C   1 
ATOM   646  O  O   . TRP A 1 76  ? -34.142 -10.830 -17.672 1.00 12.22 ? 82  TRP B O   1 
ATOM   647  C  CB  . TRP A 1 76  ? -33.376 -7.686  -18.384 1.00 11.67 ? 82  TRP B CB  1 
ATOM   648  C  CG  . TRP A 1 76  ? -32.709 -7.710  -17.033 1.00 11.43 ? 82  TRP B CG  1 
ATOM   649  C  CD1 . TRP A 1 76  ? -32.914 -6.854  -16.000 1.00 13.31 ? 82  TRP B CD1 1 
ATOM   650  C  CD2 . TRP A 1 76  ? -31.743 -8.661  -16.508 1.00 11.88 ? 82  TRP B CD2 1 
ATOM   651  N  NE1 . TRP A 1 76  ? -32.160 -7.157  -14.900 1.00 12.81 ? 82  TRP B NE1 1 
ATOM   652  C  CE2 . TRP A 1 76  ? -31.456 -8.308  -15.174 1.00 12.68 ? 82  TRP B CE2 1 
ATOM   653  C  CE3 . TRP A 1 76  ? -31.134 -9.831  -17.029 1.00 13.06 ? 82  TRP B CE3 1 
ATOM   654  C  CZ2 . TRP A 1 76  ? -30.527 -8.955  -14.381 1.00 13.12 ? 82  TRP B CZ2 1 
ATOM   655  C  CZ3 . TRP A 1 76  ? -30.248 -10.515 -16.227 1.00 13.49 ? 82  TRP B CZ3 1 
ATOM   656  C  CH2 . TRP A 1 76  ? -29.962 -10.079 -14.917 1.00 13.87 ? 82  TRP B CH2 1 
ATOM   657  N  N   . ASP A 1 77  ? -33.525 -10.422 -19.829 1.00 11.41 ? 83  ASP B N   1 
ATOM   658  C  CA  . ASP A 1 77  ? -32.769 -11.689 -20.018 1.00 11.60 ? 83  ASP B CA  1 
ATOM   659  C  C   . ASP A 1 77  ? -31.399 -11.307 -20.592 1.00 11.03 ? 83  ASP B C   1 
ATOM   660  O  O   . ASP A 1 77  ? -31.369 -10.444 -21.495 1.00 11.03 ? 83  ASP B O   1 
ATOM   661  C  CB  . ASP A 1 77  ? -33.466 -12.650 -20.967 1.00 12.32 ? 83  ASP B CB  1 
ATOM   662  C  CG  . ASP A 1 77  ? -34.969 -12.855 -20.828 1.00 15.49 ? 83  ASP B CG  1 
ATOM   663  O  OD1 . ASP A 1 77  ? -35.422 -12.782 -19.727 1.00 20.26 ? 83  ASP B OD1 1 
ATOM   664  O  OD2 . ASP A 1 77  ? -35.616 -13.104 -21.854 1.00 17.57 ? 83  ASP B OD2 1 
ATOM   665  N  N   . LEU A 1 78  ? -30.307 -12.000 -20.250 1.00 9.77  ? 84  LEU B N   1 
ATOM   666  C  CA  . LEU A 1 78  ? -28.961 -11.746 -20.803 1.00 10.11 ? 84  LEU B CA  1 
ATOM   667  C  C   . LEU A 1 78  ? -28.254 -13.080 -20.966 1.00 10.58 ? 84  LEU B C   1 
ATOM   668  O  O   . LEU A 1 78  ? -28.389 -13.994 -20.149 1.00 10.47 ? 84  LEU B O   1 
ATOM   669  C  CB  . LEU A 1 78  ? -28.132 -10.876 -19.873 1.00 10.97 ? 84  LEU B CB  1 
ATOM   670  C  CG  . LEU A 1 78  ? -28.540 -9.425  -19.717 1.00 12.30 ? 84  LEU B CG  1 
ATOM   671  C  CD1 . LEU A 1 78  ? -27.707 -8.805  -18.612 1.00 12.89 ? 84  LEU B CD1 1 
ATOM   672  C  CD2 . LEU A 1 78  ? -28.384 -8.708  -21.033 1.00 12.62 ? 84  LEU B CD2 1 
ATOM   673  N  N   . GLY A 1 79  ? -27.437 -13.133 -22.017 1.00 9.41  ? 85  GLY B N   1 
ATOM   674  C  CA  . GLY A 1 79  ? -26.446 -14.214 -22.133 1.00 10.42 ? 85  GLY B CA  1 
ATOM   675  C  C   . GLY A 1 79  ? -25.947 -14.304 -23.561 1.00 9.69  ? 85  GLY B C   1 
ATOM   676  O  O   . GLY A 1 79  ? -25.563 -13.307 -24.144 1.00 10.30 ? 85  GLY B O   1 
ATOM   677  N  N   A VAL A 1 80  ? -25.869 -15.542 -24.061 0.25 9.48  ? 86  VAL B N   1 
ATOM   678  N  N   B VAL A 1 80  ? -25.968 -15.516 -24.096 0.25 10.28 ? 86  VAL B N   1 
ATOM   679  C  CA  A VAL A 1 80  ? -25.489 -15.857 -25.468 0.25 9.40  ? 86  VAL B CA  1 
ATOM   680  C  CA  B VAL A 1 80  ? -25.438 -15.797 -25.454 0.25 10.65 ? 86  VAL B CA  1 
ATOM   681  C  C   A VAL A 1 80  ? -26.501 -16.818 -26.077 0.25 9.85  ? 86  VAL B C   1 
ATOM   682  C  C   B VAL A 1 80  ? -26.327 -16.883 -26.071 0.25 10.59 ? 86  VAL B C   1 
ATOM   683  O  O   A VAL A 1 80  ? -27.247 -17.523 -25.369 0.25 10.35 ? 86  VAL B O   1 
ATOM   684  O  O   B VAL A 1 80  ? -26.884 -17.695 -25.328 0.25 11.07 ? 86  VAL B O   1 
ATOM   685  C  CB  A VAL A 1 80  ? -24.090 -16.489 -25.606 0.25 9.43  ? 86  VAL B CB  1 
ATOM   686  C  CB  B VAL A 1 80  ? -23.948 -16.188 -25.356 0.25 11.96 ? 86  VAL B CB  1 
ATOM   687  C  CG1 A VAL A 1 80  ? -23.014 -15.467 -25.312 0.25 9.17  ? 86  VAL B CG1 1 
ATOM   688  C  CG1 B VAL A 1 80  ? -23.760 -17.546 -24.689 0.25 12.11 ? 86  VAL B CG1 1 
ATOM   689  C  CG2 A VAL A 1 80  ? -23.927 -17.725 -24.729 0.25 9.51  ? 86  VAL B CG2 1 
ATOM   690  C  CG2 B VAL A 1 80  ? -23.248 -16.123 -26.698 0.25 12.98 ? 86  VAL B CG2 1 
ATOM   691  N  N   . CYS A 1 81  ? -26.479 -16.885 -27.397 1.00 9.87  ? 87  CYS B N   1 
ATOM   692  C  CA  . CYS A 1 81  ? -27.292 -17.878 -28.086 1.00 11.09 ? 87  CYS B CA  1 
ATOM   693  C  C   . CYS A 1 81  ? -26.621 -18.302 -29.386 1.00 10.95 ? 87  CYS B C   1 
ATOM   694  O  O   . CYS A 1 81  ? -25.729 -17.588 -29.914 1.00 11.22 ? 87  CYS B O   1 
ATOM   695  C  CB  . CYS A 1 81  ? -28.703 -17.373 -28.366 1.00 12.60 ? 87  CYS B CB  1 
ATOM   696  S  SG  . CYS A 1 81  ? -28.791 -15.959 -29.502 1.00 13.12 ? 87  CYS B SG  1 
ATOM   697  N  N   A ARG A 1 82  ? -27.056 -19.435 -29.901 0.25 12.01 ? 88  ARG B N   1 
ATOM   698  N  N   B ARG A 1 82  ? -27.018 -19.456 -29.893 0.25 11.03 ? 88  ARG B N   1 
ATOM   699  C  CA  A ARG A 1 82  ? -26.676 -19.869 -31.263 0.25 12.98 ? 88  ARG B CA  1 
ATOM   700  C  CA  B ARG A 1 82  ? -26.577 -19.920 -31.232 0.25 11.31 ? 88  ARG B CA  1 
ATOM   701  C  C   A ARG A 1 82  ? -27.086 -18.820 -32.297 0.25 12.39 ? 88  ARG B C   1 
ATOM   702  C  C   B ARG A 1 82  ? -27.100 -18.949 -32.314 0.25 11.71 ? 88  ARG B C   1 
ATOM   703  O  O   A ARG A 1 82  ? -28.153 -18.200 -32.184 0.25 12.19 ? 88  ARG B O   1 
ATOM   704  O  O   B ARG A 1 82  ? -28.271 -18.503 -32.233 0.25 11.98 ? 88  ARG B O   1 
ATOM   705  C  CB  A ARG A 1 82  ? -27.354 -21.195 -31.583 0.25 14.52 ? 88  ARG B CB  1 
ATOM   706  C  CB  B ARG A 1 82  ? -27.060 -21.359 -31.437 0.25 11.36 ? 88  ARG B CB  1 
ATOM   707  C  CG  A ARG A 1 82  ? -26.759 -22.333 -30.785 0.25 15.97 ? 88  ARG B CG  1 
ATOM   708  C  CG  B ARG A 1 82  ? -26.434 -22.058 -32.637 0.25 11.02 ? 88  ARG B CG  1 
ATOM   709  C  CD  A ARG A 1 82  ? -27.335 -23.654 -31.231 0.25 17.22 ? 88  ARG B CD  1 
ATOM   710  C  CD  B ARG A 1 82  ? -27.006 -23.428 -32.884 0.25 11.08 ? 88  ARG B CD  1 
ATOM   711  N  NE  A ARG A 1 82  ? -27.022 -24.705 -30.277 0.25 17.17 ? 88  ARG B NE  1 
ATOM   712  N  NE  B ARG A 1 82  ? -26.871 -24.248 -31.706 0.25 11.18 ? 88  ARG B NE  1 
ATOM   713  C  CZ  A ARG A 1 82  ? -27.879 -25.640 -29.919 0.25 17.28 ? 88  ARG B CZ  1 
ATOM   714  C  CZ  B ARG A 1 82  ? -27.878 -24.843 -31.060 0.25 10.62 ? 88  ARG B CZ  1 
ATOM   715  N  NH1 A ARG A 1 82  ? -29.092 -25.649 -30.440 0.25 16.76 ? 88  ARG B NH1 1 
ATOM   716  N  NH1 B ARG A 1 82  ? -29.111 -24.746 -31.496 0.25 12.01 ? 88  ARG B NH1 1 
ATOM   717  N  NH2 A ARG A 1 82  ? -27.516 -26.565 -29.052 0.25 19.03 ? 88  ARG B NH2 1 
ATOM   718  N  NH2 B ARG A 1 82  ? -27.630 -25.513 -29.951 0.25 10.40 ? 88  ARG B NH2 1 
ATOM   719  N  N   . ASP A 1 83  ? -26.290 -18.681 -33.348 1.00 12.79 ? 89  ASP B N   1 
ATOM   720  C  CA  . ASP A 1 83  ? -26.707 -17.776 -34.455 1.00 13.83 ? 89  ASP B CA  1 
ATOM   721  C  C   . ASP A 1 83  ? -28.007 -18.291 -35.067 1.00 15.53 ? 89  ASP B C   1 
ATOM   722  O  O   . ASP A 1 83  ? -28.739 -17.455 -35.621 1.00 18.59 ? 89  ASP B O   1 
ATOM   723  C  CB  . ASP A 1 83  ? -25.571 -17.651 -35.475 1.00 15.68 ? 89  ASP B CB  1 
ATOM   724  C  CG  . ASP A 1 83  ? -25.142 -18.906 -36.172 1.00 18.46 ? 89  ASP B CG  1 
ATOM   725  O  OD1 . ASP A 1 83  ? -25.611 -20.014 -35.830 1.00 22.56 ? 89  ASP B OD1 1 
ATOM   726  O  OD2 . ASP A 1 83  ? -24.356 -18.725 -37.162 1.00 22.30 ? 89  ASP B OD2 1 
ATOM   727  N  N   . SER A 1 84  ? -28.309 -19.580 -35.035 1.00 13.61 ? 90  SER B N   1 
ATOM   728  C  CA  . SER A 1 84  ? -29.472 -20.174 -35.724 1.00 16.27 ? 90  SER B CA  1 
ATOM   729  C  C   . SER A 1 84  ? -30.731 -20.273 -34.864 1.00 14.65 ? 90  SER B C   1 
ATOM   730  O  O   . SER A 1 84  ? -31.652 -21.021 -35.230 1.00 15.84 ? 90  SER B O   1 
ATOM   731  C  CB  . SER A 1 84  ? -29.044 -21.503 -36.289 1.00 17.31 ? 90  SER B CB  1 
ATOM   732  O  OG  . SER A 1 84  ? -28.577 -22.342 -35.312 1.00 19.34 ? 90  SER B OG  1 
ATOM   733  N  N   . VAL A 1 85  ? -30.775 -19.641 -33.680 1.00 13.22 ? 91  VAL B N   1 
ATOM   734  C  CA  . VAL A 1 85  ? -32.001 -19.749 -32.846 1.00 13.48 ? 91  VAL B CA  1 
ATOM   735  C  C   . VAL A 1 85  ? -33.225 -19.270 -33.632 1.00 13.55 ? 91  VAL B C   1 
ATOM   736  O  O   . VAL A 1 85  ? -33.139 -18.334 -34.454 1.00 14.64 ? 91  VAL B O   1 
ATOM   737  C  CB  . VAL A 1 85  ? -31.893 -19.018 -31.487 1.00 13.21 ? 91  VAL B CB  1 
ATOM   738  C  CG1 . VAL A 1 85  ? -30.843 -19.651 -30.598 1.00 12.83 ? 91  VAL B CG1 1 
ATOM   739  C  CG2 . VAL A 1 85  ? -31.679 -17.531 -31.628 1.00 12.78 ? 91  VAL B CG2 1 
ATOM   740  N  N   . GLN A 1 86  ? -34.342 -19.876 -33.287 1.00 14.76 ? 92  GLN B N   1 
ATOM   741  C  CA  . GLN A 1 86  ? -35.700 -19.456 -33.758 1.00 15.81 ? 92  GLN B CA  1 
ATOM   742  C  C   . GLN A 1 86  ? -35.910 -17.966 -33.454 1.00 14.86 ? 92  GLN B C   1 
ATOM   743  O  O   . GLN A 1 86  ? -35.612 -17.523 -32.363 1.00 15.80 ? 92  GLN B O   1 
ATOM   744  C  CB  . GLN A 1 86  ? -36.727 -20.346 -33.068 1.00 18.05 ? 92  GLN B CB  1 
ATOM   745  C  CG  . GLN A 1 86  ? -38.205 -20.036 -33.300 1.00 21.16 ? 92  GLN B CG  1 
ATOM   746  C  CD  . GLN A 1 86  ? -39.102 -20.866 -32.385 1.00 23.39 ? 92  GLN B CD  1 
ATOM   747  O  OE1 . GLN A 1 86  ? -38.693 -21.858 -31.745 1.00 27.29 ? 92  GLN B OE1 1 
ATOM   748  N  NE2 . GLN A 1 86  ? -40.382 -20.504 -32.312 1.00 25.62 ? 92  GLN B NE2 1 
ATOM   749  N  N   . ARG A 1 87  ? -36.533 -17.240 -34.369 1.00 14.16 ? 93  ARG B N   1 
ATOM   750  C  CA  . ARG A 1 87  ? -36.795 -15.786 -34.253 1.00 13.90 ? 93  ARG B CA  1 
ATOM   751  C  C   . ARG A 1 87  ? -38.300 -15.553 -34.104 1.00 14.86 ? 93  ARG B C   1 
ATOM   752  O  O   . ARG A 1 87  ? -38.657 -14.556 -33.503 1.00 15.19 ? 93  ARG B O   1 
ATOM   753  C  CB  . ARG A 1 87  ? -36.274 -15.005 -35.450 1.00 15.12 ? 93  ARG B CB  1 
ATOM   754  C  CG  . ARG A 1 87  ? -34.789 -15.176 -35.745 1.00 13.88 ? 93  ARG B CG  1 
ATOM   755  C  CD  . ARG A 1 87  ? -33.873 -14.982 -34.536 1.00 14.56 ? 93  ARG B CD  1 
ATOM   756  N  NE  . ARG A 1 87  ? -32.492 -15.396 -34.892 1.00 16.16 ? 93  ARG B NE  1 
ATOM   757  C  CZ  . ARG A 1 87  ? -31.597 -14.671 -35.518 1.00 16.21 ? 93  ARG B CZ  1 
ATOM   758  N  NH1 . ARG A 1 87  ? -31.856 -13.435 -35.887 1.00 16.49 ? 93  ARG B NH1 1 
ATOM   759  N  NH2 . ARG A 1 87  ? -30.429 -15.190 -35.832 1.00 17.12 ? 93  ARG B NH2 1 
ATOM   760  N  N   . LYS A 1 88  ? -39.144 -16.391 -34.711 1.00 14.76 ? 94  LYS B N   1 
ATOM   761  C  CA  . LYS A 1 88  ? -40.593 -16.106 -34.834 1.00 14.94 ? 94  LYS B CA  1 
ATOM   762  C  C   . LYS A 1 88  ? -41.399 -17.006 -33.922 1.00 16.57 ? 94  LYS B C   1 
ATOM   763  O  O   . LYS A 1 88  ? -41.029 -18.200 -33.764 1.00 18.72 ? 94  LYS B O   1 
ATOM   764  C  CB  . LYS A 1 88  ? -41.053 -16.302 -36.276 1.00 16.20 ? 94  LYS B CB  1 
ATOM   765  C  CG  . LYS A 1 88  ? -40.261 -15.529 -37.293 1.00 17.32 ? 94  LYS B CG  1 
ATOM   766  C  CD  . LYS A 1 88  ? -40.180 -14.031 -37.039 1.00 18.42 ? 94  LYS B CD  1 
ATOM   767  C  CE  . LYS A 1 88  ? -39.405 -13.387 -38.150 1.00 18.06 ? 94  LYS B CE  1 
ATOM   768  N  NZ  . LYS A 1 88  ? -39.292 -11.918 -37.996 1.00 20.15 ? 94  LYS B NZ  1 
ATOM   769  N  N   . GLY A 1 89  ? -42.463 -16.485 -33.353 1.00 16.63 ? 95  GLY B N   1 
ATOM   770  C  CA  . GLY A 1 89  ? -43.351 -17.271 -32.507 1.00 16.88 ? 95  GLY B CA  1 
ATOM   771  C  C   . GLY A 1 89  ? -42.849 -17.453 -31.100 1.00 18.62 ? 95  GLY B C   1 
ATOM   772  O  O   . GLY A 1 89  ? -41.863 -16.734 -30.686 1.00 18.91 ? 95  GLY B O   1 
ATOM   773  N  N   . GLN A 1 90  ? -43.494 -18.353 -30.369 1.00 19.15 ? 96  GLN B N   1 
ATOM   774  C  CA  . GLN A 1 90  ? -43.220 -18.577 -28.944 1.00 21.20 ? 96  GLN B CA  1 
ATOM   775  C  C   . GLN A 1 90  ? -42.157 -19.651 -28.779 1.00 19.97 ? 96  GLN B C   1 
ATOM   776  O  O   . GLN A 1 90  ? -42.084 -20.584 -29.592 1.00 21.16 ? 96  GLN B O   1 
ATOM   777  C  CB  . GLN A 1 90  ? -44.518 -18.968 -28.222 1.00 26.65 ? 96  GLN B CB  1 
ATOM   778  C  CG  . GLN A 1 90  ? -45.547 -17.863 -28.300 1.00 33.59 ? 96  GLN B CG  1 
ATOM   779  C  CD  . GLN A 1 90  ? -46.887 -18.364 -27.857 1.00 44.12 ? 96  GLN B CD  1 
ATOM   780  O  OE1 . GLN A 1 90  ? -47.161 -18.423 -26.662 1.00 54.69 ? 96  GLN B OE1 1 
ATOM   781  N  NE2 . GLN A 1 90  ? -47.708 -18.738 -28.831 1.00 49.84 ? 96  GLN B NE2 1 
ATOM   782  N  N   . PHE A 1 91  ? -41.284 -19.471 -27.788 1.00 17.01 ? 97  PHE B N   1 
ATOM   783  C  CA  . PHE A 1 91  ? -40.237 -20.453 -27.442 1.00 17.55 ? 97  PHE B CA  1 
ATOM   784  C  C   . PHE A 1 91  ? -39.716 -20.162 -26.035 1.00 17.15 ? 97  PHE B C   1 
ATOM   785  O  O   . PHE A 1 91  ? -39.857 -19.069 -25.517 1.00 18.59 ? 97  PHE B O   1 
ATOM   786  C  CB  . PHE A 1 91  ? -39.085 -20.401 -28.451 1.00 16.92 ? 97  PHE B CB  1 
ATOM   787  C  CG  . PHE A 1 91  ? -38.469 -19.035 -28.578 1.00 16.19 ? 97  PHE B CG  1 
ATOM   788  C  CD1 . PHE A 1 91  ? -37.437 -18.658 -27.737 1.00 17.69 ? 97  PHE B CD1 1 
ATOM   789  C  CD2 . PHE A 1 91  ? -38.835 -18.173 -29.595 1.00 16.81 ? 97  PHE B CD2 1 
ATOM   790  C  CE1 . PHE A 1 91  ? -36.841 -17.418 -27.873 1.00 15.48 ? 97  PHE B CE1 1 
ATOM   791  C  CE2 . PHE A 1 91  ? -38.211 -16.944 -29.748 1.00 16.75 ? 97  PHE B CE2 1 
ATOM   792  C  CZ  . PHE A 1 91  ? -37.201 -16.586 -28.897 1.00 16.07 ? 97  PHE B CZ  1 
ATOM   793  N  N   A SER A 1 92  ? -39.125 -21.166 -25.395 0.25 17.92 ? 98  SER B N   1 
ATOM   794  N  N   B SER A 1 92  ? -39.117 -21.188 -25.431 0.25 16.67 ? 98  SER B N   1 
ATOM   795  C  CA  A SER A 1 92  ? -38.505 -21.002 -24.058 0.25 18.40 ? 98  SER B CA  1 
ATOM   796  C  CA  B SER A 1 92  ? -38.463 -21.115 -24.103 0.25 16.48 ? 98  SER B CA  1 
ATOM   797  C  C   A SER A 1 92  ? -36.993 -20.842 -24.219 0.25 16.67 ? 98  SER B C   1 
ATOM   798  C  C   B SER A 1 92  ? -36.979 -20.787 -24.288 0.25 15.52 ? 98  SER B C   1 
ATOM   799  O  O   A SER A 1 92  ? -36.405 -21.454 -25.124 0.25 15.95 ? 98  SER B O   1 
ATOM   800  O  O   B SER A 1 92  ? -36.394 -21.207 -25.316 0.25 14.86 ? 98  SER B O   1 
ATOM   801  C  CB  A SER A 1 92  ? -38.812 -22.151 -23.151 0.25 21.11 ? 98  SER B CB  1 
ATOM   802  C  CB  B SER A 1 92  ? -38.629 -22.401 -23.330 0.25 17.21 ? 98  SER B CB  1 
ATOM   803  O  OG  A SER A 1 92  ? -38.604 -23.366 -23.844 0.25 24.38 ? 98  SER B OG  1 
ATOM   804  O  OG  B SER A 1 92  ? -40.003 -22.627 -23.028 0.25 17.68 ? 98  SER B OG  1 
ATOM   805  N  N   . LEU A 1 93  ? -36.402 -20.056 -23.333 1.00 15.27 ? 99  LEU B N   1 
ATOM   806  C  CA  . LEU A 1 93  ? -34.953 -19.886 -23.280 1.00 15.51 ? 99  LEU B CA  1 
ATOM   807  C  C   . LEU A 1 93  ? -34.367 -21.088 -22.573 1.00 15.66 ? 99  LEU B C   1 
ATOM   808  O  O   . LEU A 1 93  ? -34.450 -21.224 -21.352 1.00 17.49 ? 99  LEU B O   1 
ATOM   809  C  CB  . LEU A 1 93  ? -34.589 -18.601 -22.544 1.00 16.12 ? 99  LEU B CB  1 
ATOM   810  C  CG  . LEU A 1 93  ? -35.039 -17.305 -23.191 1.00 16.73 ? 99  LEU B CG  1 
ATOM   811  C  CD1 . LEU A 1 93  ? -34.662 -16.095 -22.327 1.00 18.38 ? 99  LEU B CD1 1 
ATOM   812  C  CD2 . LEU A 1 93  ? -34.479 -17.124 -24.590 1.00 18.04 ? 99  LEU B CD2 1 
ATOM   813  N  N   . SER A 1 94  ? -33.687 -21.969 -23.311 1.00 14.57 ? 100 SER B N   1 
ATOM   814  C  CA  . SER A 1 94  ? -33.100 -23.212 -22.773 1.00 14.46 ? 100 SER B CA  1 
ATOM   815  C  C   . SER A 1 94  ? -31.904 -23.586 -23.624 1.00 12.27 ? 100 SER B C   1 
ATOM   816  O  O   . SER A 1 94  ? -31.899 -23.248 -24.826 1.00 12.47 ? 100 SER B O   1 
ATOM   817  C  CB  . SER A 1 94  ? -34.053 -24.401 -22.767 1.00 15.89 ? 100 SER B CB  1 
ATOM   818  O  OG  . SER A 1 94  ? -34.420 -24.734 -24.099 1.00 19.07 ? 100 SER B OG  1 
ATOM   819  N  N   . PRO A 1 95  ? -30.942 -24.332 -23.093 1.00 13.05 ? 101 PRO B N   1 
ATOM   820  C  CA  . PRO A 1 95  ? -29.843 -24.849 -23.907 1.00 13.96 ? 101 PRO B CA  1 
ATOM   821  C  C   . PRO A 1 95  ? -30.353 -25.730 -25.054 1.00 13.53 ? 101 PRO B C   1 
ATOM   822  O  O   . PRO A 1 95  ? -29.793 -25.627 -26.173 1.00 14.24 ? 101 PRO B O   1 
ATOM   823  C  CB  . PRO A 1 95  ? -28.950 -25.591 -22.913 1.00 14.57 ? 101 PRO B CB  1 
ATOM   824  C  CG  . PRO A 1 95  ? -29.248 -24.887 -21.592 1.00 14.65 ? 101 PRO B CG  1 
ATOM   825  C  CD  . PRO A 1 95  ? -30.721 -24.596 -21.666 1.00 13.60 ? 101 PRO B CD  1 
ATOM   826  N  N   . GLU A 1 96  ? -31.437 -26.481 -24.846 1.00 15.10 ? 102 GLU B N   1 
ATOM   827  C  CA  . GLU A 1 96  ? -32.016 -27.325 -25.939 1.00 18.63 ? 102 GLU B CA  1 
ATOM   828  C  C   . GLU A 1 96  ? -32.422 -26.449 -27.127 1.00 17.33 ? 102 GLU B C   1 
ATOM   829  O  O   . GLU A 1 96  ? -32.329 -26.883 -28.305 1.00 18.10 ? 102 GLU B O   1 
ATOM   830  C  CB  . GLU A 1 96  ? -33.211 -28.136 -25.439 1.00 23.22 ? 102 GLU B CB  1 
ATOM   831  C  CG  . GLU A 1 96  ? -32.896 -28.934 -24.208 1.00 32.22 ? 102 GLU B CG  1 
ATOM   832  C  CD  . GLU A 1 96  ? -33.299 -28.284 -22.887 1.00 38.32 ? 102 GLU B CD  1 
ATOM   833  O  OE1 . GLU A 1 96  ? -32.428 -27.607 -22.232 1.00 24.99 ? 102 GLU B OE1 1 
ATOM   834  O  OE2 . GLU A 1 96  ? -34.487 -28.508 -22.488 1.00 49.71 ? 102 GLU B OE2 1 
ATOM   835  N  N   . ASN A 1 97  ? -32.883 -25.216 -26.891 1.00 15.30 ? 103 ASN B N   1 
ATOM   836  C  CA  . ASN A 1 97  ? -33.276 -24.287 -27.976 1.00 14.31 ? 103 ASN B CA  1 
ATOM   837  C  C   . ASN A 1 97  ? -32.128 -23.361 -28.378 1.00 13.97 ? 103 ASN B C   1 
ATOM   838  O  O   . ASN A 1 97  ? -32.343 -22.507 -29.245 1.00 15.00 ? 103 ASN B O   1 
ATOM   839  C  CB  . ASN A 1 97  ? -34.493 -23.447 -27.555 1.00 16.31 ? 103 ASN B CB  1 
ATOM   840  C  CG  . ASN A 1 97  ? -35.785 -24.226 -27.515 1.00 18.59 ? 103 ASN B CG  1 
ATOM   841  O  OD1 . ASN A 1 97  ? -35.898 -25.295 -28.138 1.00 21.03 ? 103 ASN B OD1 1 
ATOM   842  N  ND2 . ASN A 1 97  ? -36.732 -23.755 -26.717 1.00 19.86 ? 103 ASN B ND2 1 
ATOM   843  N  N   . GLY A 1 98  ? -30.915 -23.539 -27.860 1.00 12.05 ? 104 GLY B N   1 
ATOM   844  C  CA  . GLY A 1 98  ? -29.752 -22.757 -28.258 1.00 11.59 ? 104 GLY B CA  1 
ATOM   845  C  C   . GLY A 1 98  ? -29.516 -21.474 -27.488 1.00 10.64 ? 104 GLY B C   1 
ATOM   846  O  O   . GLY A 1 98  ? -28.846 -20.602 -28.015 1.00 11.35 ? 104 GLY B O   1 
ATOM   847  N  N   . PHE A 1 99  ? -29.937 -21.421 -26.210 1.00 11.96 ? 105 PHE B N   1 
ATOM   848  C  CA  . PHE A 1 99  ? -29.746 -20.194 -25.385 1.00 11.35 ? 105 PHE B CA  1 
ATOM   849  C  C   . PHE A 1 99  ? -29.075 -20.539 -24.060 1.00 10.96 ? 105 PHE B C   1 
ATOM   850  O  O   . PHE A 1 99  ? -29.512 -21.557 -23.430 1.00 12.27 ? 105 PHE B O   1 
ATOM   851  C  CB  . PHE A 1 99  ? -31.089 -19.545 -25.013 1.00 11.58 ? 105 PHE B CB  1 
ATOM   852  C  CG  . PHE A 1 99  ? -31.896 -19.054 -26.206 1.00 11.33 ? 105 PHE B CG  1 
ATOM   853  C  CD1 . PHE A 1 99  ? -32.792 -19.897 -26.846 1.00 11.90 ? 105 PHE B CD1 1 
ATOM   854  C  CD2 . PHE A 1 99  ? -31.772 -17.740 -26.652 1.00 11.79 ? 105 PHE B CD2 1 
ATOM   855  C  CE1 . PHE A 1 99  ? -33.524 -19.453 -27.933 1.00 12.81 ? 105 PHE B CE1 1 
ATOM   856  C  CE2 . PHE A 1 99  ? -32.517 -17.298 -27.733 1.00 12.47 ? 105 PHE B CE2 1 
ATOM   857  C  CZ  . PHE A 1 99  ? -33.415 -18.152 -28.334 1.00 12.15 ? 105 PHE B CZ  1 
ATOM   858  N  N   . TRP A 1 100 ? -28.116 -19.724 -23.636 1.00 9.60  ? 106 TRP B N   1 
ATOM   859  C  CA  . TRP A 1 100 ? -27.422 -19.833 -22.331 1.00 9.72  ? 106 TRP B CA  1 
ATOM   860  C  C   . TRP A 1 100 ? -27.582 -18.477 -21.652 1.00 9.47  ? 106 TRP B C   1 
ATOM   861  O  O   . TRP A 1 100 ? -26.838 -17.536 -22.005 1.00 9.94  ? 106 TRP B O   1 
ATOM   862  C  CB  . TRP A 1 100 ? -25.961 -20.286 -22.499 1.00 10.00 ? 106 TRP B CB  1 
ATOM   863  C  CG  . TRP A 1 100 ? -25.897 -21.673 -23.089 1.00 10.14 ? 106 TRP B CG  1 
ATOM   864  C  CD1 . TRP A 1 100 ? -25.785 -22.874 -22.436 1.00 11.22 ? 106 TRP B CD1 1 
ATOM   865  C  CD2 . TRP A 1 100 ? -25.912 -21.994 -24.511 1.00 10.18 ? 106 TRP B CD2 1 
ATOM   866  N  NE1 . TRP A 1 100 ? -25.825 -23.908 -23.364 1.00 12.00 ? 106 TRP B NE1 1 
ATOM   867  C  CE2 . TRP A 1 100 ? -25.888 -23.399 -24.626 1.00 11.10 ? 106 TRP B CE2 1 
ATOM   868  C  CE3 . TRP A 1 100 ? -25.967 -21.223 -25.667 1.00 10.77 ? 106 TRP B CE3 1 
ATOM   869  C  CZ2 . TRP A 1 100 ? -25.921 -24.039 -25.875 1.00 12.17 ? 106 TRP B CZ2 1 
ATOM   870  C  CZ3 . TRP A 1 100 ? -25.979 -21.856 -26.902 1.00 12.30 ? 106 TRP B CZ3 1 
ATOM   871  C  CH2 . TRP A 1 100 ? -26.028 -23.238 -26.985 1.00 12.20 ? 106 TRP B CH2 1 
ATOM   872  N  N   . THR A 1 101 ? -28.583 -18.397 -20.754 1.00 10.39 ? 107 THR B N   1 
ATOM   873  C  CA  . THR A 1 101 ? -29.090 -17.078 -20.294 1.00 9.90  ? 107 THR B CA  1 
ATOM   874  C  C   . THR A 1 101 ? -29.398 -17.131 -18.790 1.00 9.90  ? 107 THR B C   1 
ATOM   875  O  O   . THR A 1 101 ? -29.684 -18.198 -18.257 1.00 10.15 ? 107 THR B O   1 
ATOM   876  C  CB  . THR A 1 101 ? -30.337 -16.626 -21.041 1.00 10.49 ? 107 THR B CB  1 
ATOM   877  O  OG1 . THR A 1 101 ? -31.401 -17.532 -20.842 1.00 10.96 ? 107 THR B OG1 1 
ATOM   878  C  CG2 . THR A 1 101 ? -30.053 -16.443 -22.513 1.00 10.49 ? 107 THR B CG2 1 
ATOM   879  N  N   . ILE A 1 102 ? -29.460 -15.946 -18.206 1.00 10.16 ? 108 ILE B N   1 
ATOM   880  C  CA  . ILE A 1 102 ? -30.087 -15.710 -16.867 1.00 10.59 ? 108 ILE B CA  1 
ATOM   881  C  C   . ILE A 1 102 ? -31.103 -14.593 -17.067 1.00 11.09 ? 108 ILE B C   1 
ATOM   882  O  O   . ILE A 1 102 ? -31.020 -13.850 -18.059 1.00 10.67 ? 108 ILE B O   1 
ATOM   883  C  CB  . ILE A 1 102 ? -29.064 -15.392 -15.748 1.00 10.74 ? 108 ILE B CB  1 
ATOM   884  C  CG1 . ILE A 1 102 ? -28.367 -14.044 -15.933 1.00 11.30 ? 108 ILE B CG1 1 
ATOM   885  C  CG2 . ILE A 1 102 ? -28.049 -16.521 -15.665 1.00 11.25 ? 108 ILE B CG2 1 
ATOM   886  C  CD1 . ILE A 1 102 ? -27.539 -13.553 -14.756 1.00 12.38 ? 108 ILE B CD1 1 
ATOM   887  N  N   . TRP A 1 103 ? -31.939 -14.416 -16.063 1.00 10.50 ? 109 TRP B N   1 
ATOM   888  C  CA  . TRP A 1 103 ? -32.978 -13.368 -16.128 1.00 10.67 ? 109 TRP B CA  1 
ATOM   889  C  C   . TRP A 1 103 ? -33.403 -12.912 -14.758 1.00 11.31 ? 109 TRP B C   1 
ATOM   890  O  O   . TRP A 1 103 ? -33.205 -13.586 -13.745 1.00 12.20 ? 109 TRP B O   1 
ATOM   891  C  CB  . TRP A 1 103 ? -34.165 -13.764 -16.950 1.00 13.81 ? 109 TRP B CB  1 
ATOM   892  C  CG  . TRP A 1 103 ? -34.965 -14.899 -16.453 1.00 15.56 ? 109 TRP B CG  1 
ATOM   893  C  CD1 . TRP A 1 103 ? -35.842 -14.879 -15.406 1.00 15.49 ? 109 TRP B CD1 1 
ATOM   894  C  CD2 . TRP A 1 103 ? -35.056 -16.186 -17.059 1.00 16.58 ? 109 TRP B CD2 1 
ATOM   895  N  NE1 . TRP A 1 103 ? -36.500 -16.061 -15.331 1.00 20.23 ? 109 TRP B NE1 1 
ATOM   896  C  CE2 . TRP A 1 103 ? -36.068 -16.872 -16.341 1.00 17.72 ? 109 TRP B CE2 1 
ATOM   897  C  CE3 . TRP A 1 103 ? -34.477 -16.764 -18.194 1.00 17.99 ? 109 TRP B CE3 1 
ATOM   898  C  CZ2 . TRP A 1 103 ? -36.434 -18.183 -16.643 1.00 19.63 ? 109 TRP B CZ2 1 
ATOM   899  C  CZ3 . TRP A 1 103 ? -34.875 -18.044 -18.505 1.00 19.31 ? 109 TRP B CZ3 1 
ATOM   900  C  CH2 . TRP A 1 103 ? -35.850 -18.714 -17.771 1.00 19.75 ? 109 TRP B CH2 1 
ATOM   901  N  N   . LEU A 1 104 ? -34.029 -11.725 -14.785 1.00 11.10 ? 110 LEU B N   1 
ATOM   902  C  CA  . LEU A 1 104 ? -34.781 -11.170 -13.641 1.00 11.23 ? 110 LEU B CA  1 
ATOM   903  C  C   . LEU A 1 104 ? -36.241 -11.141 -14.054 1.00 11.04 ? 110 LEU B C   1 
ATOM   904  O  O   . LEU A 1 104 ? -36.549 -10.674 -15.152 1.00 11.67 ? 110 LEU B O   1 
ATOM   905  C  CB  . LEU A 1 104 ? -34.332 -9.752  -13.336 1.00 11.81 ? 110 LEU B CB  1 
ATOM   906  C  CG  . LEU A 1 104 ? -35.154 -8.978  -12.296 1.00 11.74 ? 110 LEU B CG  1 
ATOM   907  C  CD1 . LEU A 1 104 ? -35.135 -9.633  -10.926 1.00 12.72 ? 110 LEU B CD1 1 
ATOM   908  C  CD2 . LEU A 1 104 ? -34.698 -7.539  -12.212 1.00 13.41 ? 110 LEU B CD2 1 
ATOM   909  N  N   . TRP A 1 105 ? -37.125 -11.599 -13.168 1.00 12.41 ? 111 TRP B N   1 
ATOM   910  C  CA  . TRP A 1 105 ? -38.574 -11.602 -13.396 1.00 13.18 ? 111 TRP B CA  1 
ATOM   911  C  C   . TRP A 1 105 ? -39.258 -11.620 -12.040 1.00 14.57 ? 111 TRP B C   1 
ATOM   912  O  O   . TRP A 1 105 ? -38.975 -12.520 -11.230 1.00 15.27 ? 111 TRP B O   1 
ATOM   913  C  CB  . TRP A 1 105 ? -38.976 -12.833 -14.219 1.00 16.02 ? 111 TRP B CB  1 
ATOM   914  C  CG  . TRP A 1 105 ? -40.428 -12.976 -14.420 1.00 18.81 ? 111 TRP B CG  1 
ATOM   915  C  CD1 . TRP A 1 105 ? -41.250 -13.919 -13.861 1.00 20.94 ? 111 TRP B CD1 1 
ATOM   916  C  CD2 . TRP A 1 105 ? -41.226 -12.136 -15.248 1.00 18.34 ? 111 TRP B CD2 1 
ATOM   917  N  NE1 . TRP A 1 105 ? -42.513 -13.702 -14.300 1.00 19.96 ? 111 TRP B NE1 1 
ATOM   918  C  CE2 . TRP A 1 105 ? -42.534 -12.648 -15.160 1.00 18.11 ? 111 TRP B CE2 1 
ATOM   919  C  CE3 . TRP A 1 105 ? -40.977 -11.044 -16.074 1.00 19.88 ? 111 TRP B CE3 1 
ATOM   920  C  CZ2 . TRP A 1 105 ? -43.588 -12.074 -15.848 1.00 23.86 ? 111 TRP B CZ2 1 
ATOM   921  C  CZ3 . TRP A 1 105 ? -42.026 -10.468 -16.745 1.00 23.38 ? 111 TRP B CZ3 1 
ATOM   922  C  CH2 . TRP A 1 105 ? -43.325 -10.955 -16.594 1.00 22.26 ? 111 TRP B CH2 1 
ATOM   923  N  N   . GLN A 1 106 ? -40.144 -10.640 -11.794 1.00 13.94 ? 112 GLN B N   1 
ATOM   924  C  CA  . GLN A 1 106 ? -40.967 -10.662 -10.547 1.00 14.27 ? 112 GLN B CA  1 
ATOM   925  C  C   . GLN A 1 106 ? -40.097 -10.842 -9.325  1.00 15.60 ? 112 GLN B C   1 
ATOM   926  O  O   . GLN A 1 106 ? -40.447 -11.713 -8.438  1.00 17.94 ? 112 GLN B O   1 
ATOM   927  C  CB  . GLN A 1 106 ? -42.098 -11.678 -10.698 1.00 15.45 ? 112 GLN B CB  1 
ATOM   928  C  CG  . GLN A 1 106 ? -43.028 -11.323 -11.846 1.00 16.10 ? 112 GLN B CG  1 
ATOM   929  C  CD  . GLN A 1 106 ? -44.311 -12.114 -11.920 1.00 18.38 ? 112 GLN B CD  1 
ATOM   930  O  OE1 . GLN A 1 106 ? -45.269 -11.746 -12.648 1.00 21.00 ? 112 GLN B OE1 1 
ATOM   931  N  NE2 . GLN A 1 106 ? -44.343 -13.214 -11.192 1.00 17.73 ? 112 GLN B NE2 1 
ATOM   932  N  N   . ASP A 1 107 ? -39.051 -10.037 -9.195  1.00 15.76 ? 113 ASP B N   1 
ATOM   933  C  CA  . ASP A 1 107 ? -38.254 -9.984  -7.966  1.00 20.28 ? 113 ASP B CA  1 
ATOM   934  C  C   . ASP A 1 107 ? -37.458 -11.274 -7.717  1.00 21.66 ? 113 ASP B C   1 
ATOM   935  O  O   . ASP A 1 107 ? -36.862 -11.378 -6.638  1.00 27.45 ? 113 ASP B O   1 
ATOM   936  C  CB  . ASP A 1 107 ? -39.205 -9.765  -6.779  1.00 24.50 ? 113 ASP B CB  1 
ATOM   937  C  CG  . ASP A 1 107 ? -38.611 -8.977  -5.648  1.00 35.47 ? 113 ASP B CG  1 
ATOM   938  O  OD1 . ASP A 1 107 ? -37.635 -8.230  -5.892  1.00 39.81 ? 113 ASP B OD1 1 
ATOM   939  O  OD2 . ASP A 1 107 ? -39.176 -9.088  -4.518  1.00 50.53 ? 113 ASP B OD2 1 
ATOM   940  N  N   . SER A 1 108 ? -37.326 -12.166 -8.678  1.00 17.05 ? 114 SER B N   1 
ATOM   941  C  CA  . SER A 1 108 ? -36.409 -13.338 -8.547  1.00 17.68 ? 114 SER B CA  1 
ATOM   942  C  C   . SER A 1 108 ? -35.481 -13.435 -9.761  1.00 14.81 ? 114 SER B C   1 
ATOM   943  O  O   . SER A 1 108 ? -35.863 -13.111 -10.942 1.00 14.30 ? 114 SER B O   1 
ATOM   944  C  CB  . SER A 1 108 ? -37.182 -14.586 -8.273  1.00 24.41 ? 114 SER B CB  1 
ATOM   945  O  OG  . SER A 1 108 ? -37.811 -15.062 -9.422  1.00 33.97 ? 114 SER B OG  1 
ATOM   946  N  N   . TYR A 1 109 ? -34.268 -13.892 -9.505  1.00 13.94 ? 115 TYR B N   1 
ATOM   947  C  CA  . TYR A 1 109 ? -33.255 -14.172 -10.567 1.00 13.05 ? 115 TYR B CA  1 
ATOM   948  C  C   . TYR A 1 109 ? -33.235 -15.676 -10.828 1.00 12.22 ? 115 TYR B C   1 
ATOM   949  O  O   . TYR A 1 109 ? -33.234 -16.464 -9.874  1.00 13.21 ? 115 TYR B O   1 
ATOM   950  C  CB  . TYR A 1 109 ? -31.897 -13.659 -10.134 1.00 12.12 ? 115 TYR B CB  1 
ATOM   951  C  CG  . TYR A 1 109 ? -31.862 -12.154 -9.910  1.00 12.93 ? 115 TYR B CG  1 
ATOM   952  C  CD1 . TYR A 1 109 ? -32.106 -11.624 -8.653  1.00 13.77 ? 115 TYR B CD1 1 
ATOM   953  C  CD2 . TYR A 1 109 ? -31.512 -11.283 -10.921 1.00 12.23 ? 115 TYR B CD2 1 
ATOM   954  C  CE1 . TYR A 1 109 ? -32.011 -10.256 -8.435  1.00 14.09 ? 115 TYR B CE1 1 
ATOM   955  C  CE2 . TYR A 1 109 ? -31.438 -9.920  -10.716 1.00 13.27 ? 115 TYR B CE2 1 
ATOM   956  C  CZ  . TYR A 1 109 ? -31.694 -9.410  -9.461  1.00 14.10 ? 115 TYR B CZ  1 
ATOM   957  O  OH  . TYR A 1 109 ? -31.667 -8.058  -9.202  1.00 15.03 ? 115 TYR B OH  1 
ATOM   958  N  N   A GLU A 1 110 ? -33.220 -16.085 -12.104 0.25 12.78 ? 116 GLU B N   1 
ATOM   959  N  N   B GLU A 1 110 ? -33.237 -16.066 -12.111 0.25 12.22 ? 116 GLU B N   1 
ATOM   960  C  CA  A GLU A 1 110 ? -33.235 -17.522 -12.490 0.25 13.68 ? 116 GLU B CA  1 
ATOM   961  C  CA  B GLU A 1 110 ? -33.261 -17.484 -12.553 0.25 12.71 ? 116 GLU B CA  1 
ATOM   962  C  C   A GLU A 1 110 ? -32.320 -17.764 -13.694 0.25 12.06 ? 116 GLU B C   1 
ATOM   963  C  C   B GLU A 1 110 ? -32.182 -17.698 -13.625 0.25 11.26 ? 116 GLU B C   1 
ATOM   964  O  O   A GLU A 1 110 ? -32.276 -16.922 -14.591 0.25 11.94 ? 116 GLU B O   1 
ATOM   965  O  O   B GLU A 1 110 ? -31.804 -16.731 -14.318 0.25 10.52 ? 116 GLU B O   1 
ATOM   966  C  CB  A GLU A 1 110 ? -34.653 -17.990 -12.799 0.25 15.54 ? 116 GLU B CB  1 
ATOM   967  C  CB  B GLU A 1 110 ? -34.644 -17.870 -13.077 0.25 13.90 ? 116 GLU B CB  1 
ATOM   968  C  CG  A GLU A 1 110 ? -35.564 -17.977 -11.578 0.25 17.88 ? 116 GLU B CG  1 
ATOM   969  C  CG  B GLU A 1 110 ? -35.774 -17.697 -12.061 0.25 15.85 ? 116 GLU B CG  1 
ATOM   970  C  CD  A GLU A 1 110 ? -37.016 -18.249 -11.914 0.25 20.32 ? 116 GLU B CD  1 
ATOM   971  C  CD  B GLU A 1 110 ? -35.941 -18.850 -11.077 0.25 16.70 ? 116 GLU B CD  1 
ATOM   972  O  OE1 A GLU A 1 110 ? -37.456 -17.835 -13.007 0.25 22.80 ? 116 GLU B OE1 1 
ATOM   973  O  OE1 B GLU A 1 110 ? -35.451 -19.949 -11.358 0.25 21.30 ? 116 GLU B OE1 1 
ATOM   974  O  OE2 A GLU A 1 110 ? -37.704 -18.881 -11.095 0.25 20.89 ? 116 GLU B OE2 1 
ATOM   975  O  OE2 B GLU A 1 110 ? -36.601 -18.651 -10.049 0.25 22.01 ? 116 GLU B OE2 1 
ATOM   976  N  N   . ALA A 1 111 ? -31.673 -18.928 -13.726 1.00 11.81 ? 117 ALA B N   1 
ATOM   977  C  CA  . ALA A 1 111 ? -30.905 -19.357 -14.895 1.00 11.65 ? 117 ALA B CA  1 
ATOM   978  C  C   . ALA A 1 111 ? -31.842 -20.114 -15.820 1.00 11.74 ? 117 ALA B C   1 
ATOM   979  O  O   . ALA A 1 111 ? -32.706 -20.931 -15.408 1.00 11.98 ? 117 ALA B O   1 
ATOM   980  C  CB  . ALA A 1 111 ? -29.746 -20.244 -14.499 1.00 12.12 ? 117 ALA B CB  1 
ATOM   981  N  N   . GLY A 1 112 ? -31.661 -19.868 -17.128 1.00 11.77 ? 118 GLY B N   1 
ATOM   982  C  CA  . GLY A 1 112 ? -32.471 -20.446 -18.217 1.00 12.85 ? 118 GLY B CA  1 
ATOM   983  C  C   . GLY A 1 112 ? -32.149 -21.884 -18.522 1.00 13.60 ? 118 GLY B C   1 
ATOM   984  O  O   . GLY A 1 112 ? -31.849 -22.226 -19.634 1.00 15.29 ? 118 GLY B O   1 
ATOM   985  N  N   . THR A 1 113 ? -32.132 -22.748 -17.541 1.00 15.11 ? 119 THR B N   1 
ATOM   986  C  CA  . THR A 1 113 ? -32.128 -24.204 -17.745 1.00 16.24 ? 119 THR B CA  1 
ATOM   987  C  C   . THR A 1 113 ? -33.567 -24.682 -17.964 1.00 16.91 ? 119 THR B C   1 
ATOM   988  O  O   . THR A 1 113 ? -34.481 -23.910 -17.810 1.00 18.57 ? 119 THR B O   1 
ATOM   989  C  CB  . THR A 1 113 ? -31.491 -24.829 -16.515 1.00 14.69 ? 119 THR B CB  1 
ATOM   990  O  OG1 . THR A 1 113 ? -32.187 -24.373 -15.335 1.00 14.15 ? 119 THR B OG1 1 
ATOM   991  C  CG2 . THR A 1 113 ? -30.033 -24.530 -16.344 1.00 15.99 ? 119 THR B CG2 1 
ATOM   992  N  N   . SER A 1 114 ? -33.761 -25.954 -18.306 1.00 20.08 ? 120 SER B N   1 
ATOM   993  C  CA  . SER A 1 114 ? -35.130 -26.496 -18.460 1.00 22.61 ? 120 SER B CA  1 
ATOM   994  C  C   . SER A 1 114 ? -35.309 -27.696 -17.526 1.00 23.21 ? 120 SER B C   1 
ATOM   995  O  O   . SER A 1 114 ? -34.658 -28.726 -17.696 1.00 26.95 ? 120 SER B O   1 
ATOM   996  C  CB  . SER A 1 114 ? -35.417 -26.848 -19.914 1.00 28.38 ? 120 SER B CB  1 
ATOM   997  O  OG  . SER A 1 114 ? -36.749 -27.347 -20.035 1.00 33.38 ? 120 SER B OG  1 
ATOM   998  N  N   . PRO A 1 115 ? -36.067 -27.562 -16.425 1.00 22.44 ? 121 PRO B N   1 
ATOM   999  C  CA  . PRO A 1 115 ? -36.718 -26.329 -16.009 1.00 22.92 ? 121 PRO B CA  1 
ATOM   1000 C  C   . PRO A 1 115 ? -35.730 -25.331 -15.382 1.00 18.89 ? 121 PRO B C   1 
ATOM   1001 O  O   . PRO A 1 115 ? -34.577 -25.655 -15.130 1.00 17.49 ? 121 PRO B O   1 
ATOM   1002 C  CB  . PRO A 1 115 ? -37.722 -26.800 -14.963 1.00 27.22 ? 121 PRO B CB  1 
ATOM   1003 C  CG  . PRO A 1 115 ? -36.978 -27.935 -14.288 1.00 24.60 ? 121 PRO B CG  1 
ATOM   1004 C  CD  . PRO A 1 115 ? -36.236 -28.634 -15.420 1.00 24.70 ? 121 PRO B CD  1 
ATOM   1005 N  N   . GLN A 1 116 ? -36.175 -24.103 -15.203 1.00 19.31 ? 122 GLN B N   1 
ATOM   1006 C  CA  . GLN A 1 116 ? -35.308 -22.991 -14.746 1.00 17.83 ? 122 GLN B CA  1 
ATOM   1007 C  C   . GLN A 1 116 ? -34.785 -23.220 -13.313 1.00 15.50 ? 122 GLN B C   1 
ATOM   1008 O  O   . GLN A 1 116 ? -35.403 -23.947 -12.523 1.00 17.32 ? 122 GLN B O   1 
ATOM   1009 C  CB  . GLN A 1 116 ? -35.999 -21.630 -14.875 1.00 21.50 ? 122 GLN B CB  1 
ATOM   1010 C  CG  . GLN A 1 116 ? -37.077 -21.341 -13.856 1.00 28.52 ? 122 GLN B CG  1 
ATOM   1011 C  CD  . GLN A 1 116 ? -38.463 -21.315 -14.444 1.00 39.63 ? 122 GLN B CD  1 
ATOM   1012 O  OE1 . GLN A 1 116 ? -38.772 -22.009 -15.417 1.00 48.82 ? 122 GLN B OE1 1 
ATOM   1013 N  NE2 . GLN A 1 116 ? -39.327 -20.549 -13.803 1.00 47.49 ? 122 GLN B NE2 1 
ATOM   1014 N  N   . THR A 1 117 ? -33.604 -22.676 -13.056 1.00 13.54 ? 123 THR B N   1 
ATOM   1015 C  CA  . THR A 1 117 ? -32.899 -22.816 -11.780 1.00 12.98 ? 123 THR B CA  1 
ATOM   1016 C  C   . THR A 1 117 ? -32.972 -21.500 -11.004 1.00 12.49 ? 123 THR B C   1 
ATOM   1017 O  O   . THR A 1 117 ? -32.464 -20.478 -11.491 1.00 13.85 ? 123 THR B O   1 
ATOM   1018 C  CB  . THR A 1 117 ? -31.453 -23.268 -12.041 1.00 13.05 ? 123 THR B CB  1 
ATOM   1019 O  OG1 . THR A 1 117 ? -31.523 -24.497 -12.760 1.00 14.67 ? 123 THR B OG1 1 
ATOM   1020 C  CG2 . THR A 1 117 ? -30.689 -23.446 -10.747 1.00 14.35 ? 123 THR B CG2 1 
ATOM   1021 N  N   . THR A 1 118 ? -33.362 -21.547 -9.733  1.00 13.81 ? 124 THR B N   1 
ATOM   1022 C  CA  . THR A 1 118 ? -33.286 -20.399 -8.809  1.00 14.58 ? 124 THR B CA  1 
ATOM   1023 C  C   . THR A 1 118 ? -31.860 -19.933 -8.533  1.00 14.23 ? 124 THR B C   1 
ATOM   1024 O  O   . THR A 1 118 ? -30.966 -20.813 -8.272  1.00 16.64 ? 124 THR B O   1 
ATOM   1025 C  CB  . THR A 1 118 ? -33.894 -20.842 -7.466  1.00 18.31 ? 124 THR B CB  1 
ATOM   1026 O  OG1 . THR A 1 118 ? -35.262 -21.145 -7.704  1.00 21.96 ? 124 THR B OG1 1 
ATOM   1027 C  CG2 . THR A 1 118 ? -33.657 -19.802 -6.395  1.00 21.91 ? 124 THR B CG2 1 
ATOM   1028 N  N   . LEU A 1 119 ? -31.586 -18.639 -8.661  1.00 12.44 ? 125 LEU B N   1 
ATOM   1029 C  CA  . LEU A 1 119 ? -30.271 -18.038 -8.373  1.00 12.52 ? 125 LEU B CA  1 
ATOM   1030 C  C   . LEU A 1 119 ? -30.352 -17.446 -6.961  1.00 14.94 ? 125 LEU B C   1 
ATOM   1031 O  O   . LEU A 1 119 ? -31.449 -17.091 -6.512  1.00 20.25 ? 125 LEU B O   1 
ATOM   1032 C  CB  . LEU A 1 119 ? -29.857 -16.982 -9.406  1.00 12.46 ? 125 LEU B CB  1 
ATOM   1033 C  CG  . LEU A 1 119 ? -29.789 -17.519 -10.846 1.00 12.10 ? 125 LEU B CG  1 
ATOM   1034 C  CD1 . LEU A 1 119 ? -29.511 -16.410 -11.846 1.00 12.70 ? 125 LEU B CD1 1 
ATOM   1035 C  CD2 . LEU A 1 119 ? -28.720 -18.617 -10.982 1.00 13.36 ? 125 LEU B CD2 1 
ATOM   1036 N  N   . HIS A 1 120 ? -29.230 -17.363 -6.299  1.00 14.39 ? 126 HIS B N   1 
ATOM   1037 C  CA  . HIS A 1 120 ? -29.132 -16.890 -4.903  1.00 14.09 ? 126 HIS B CA  1 
ATOM   1038 C  C   . HIS A 1 120 ? -28.288 -15.634 -4.937  1.00 16.12 ? 126 HIS B C   1 
ATOM   1039 O  O   . HIS A 1 120 ? -27.026 -15.721 -4.938  1.00 21.75 ? 126 HIS B O   1 
ATOM   1040 C  CB  . HIS A 1 120 ? -28.483 -17.986 -4.040  1.00 15.52 ? 126 HIS B CB  1 
ATOM   1041 C  CG  . HIS A 1 120 ? -29.254 -19.277 -3.989  1.00 16.59 ? 126 HIS B CG  1 
ATOM   1042 N  ND1 . HIS A 1 120 ? -28.964 -20.374 -4.800  1.00 20.62 ? 126 HIS B ND1 1 
ATOM   1043 C  CD2 . HIS A 1 120 ? -30.334 -19.637 -3.281  1.00 19.64 ? 126 HIS B CD2 1 
ATOM   1044 C  CE1 . HIS A 1 120 ? -29.847 -21.330 -4.554  1.00 21.34 ? 126 HIS B CE1 1 
ATOM   1045 N  NE2 . HIS A 1 120 ? -30.650 -20.935 -3.603  1.00 19.18 ? 126 HIS B NE2 1 
ATOM   1046 N  N   . ILE A 1 121 ? -28.909 -14.485 -5.046  1.00 18.29 ? 127 ILE B N   1 
ATOM   1047 C  CA  . ILE A 1 121 ? -28.199 -13.189 -5.176  1.00 20.73 ? 127 ILE B CA  1 
ATOM   1048 C  C   . ILE A 1 121 ? -28.527 -12.343 -3.921  1.00 21.08 ? 127 ILE B C   1 
ATOM   1049 O  O   . ILE A 1 121 ? -29.692 -12.086 -3.668  1.00 26.84 ? 127 ILE B O   1 
ATOM   1050 C  CB  . ILE A 1 121 ? -28.621 -12.524 -6.507  1.00 21.74 ? 127 ILE B CB  1 
ATOM   1051 C  CG1 . ILE A 1 121 ? -28.141 -13.360 -7.711  1.00 20.65 ? 127 ILE B CG1 1 
ATOM   1052 C  CG2 . ILE A 1 121 ? -28.163 -11.067 -6.522  1.00 26.97 ? 127 ILE B CG2 1 
ATOM   1053 C  CD1 . ILE A 1 121 ? -28.248 -12.659 -9.055  1.00 21.85 ? 127 ILE B CD1 1 
ATOM   1054 N  N   . GLN A 1 122 ? -27.523 -11.997 -3.138  1.00 25.59 ? 128 GLN B N   1 
ATOM   1055 C  CA  . GLN A 1 122 ? -27.753 -11.197 -1.894  1.00 28.15 ? 128 GLN B CA  1 
ATOM   1056 C  C   . GLN A 1 122 ? -27.769 -9.699  -2.258  1.00 25.30 ? 128 GLN B C   1 
ATOM   1057 O  O   . GLN A 1 122 ? -28.556 -8.942  -1.637  1.00 25.85 ? 128 GLN B O   1 
ATOM   1058 C  CB  . GLN A 1 122 ? -26.698 -11.603 -0.855  1.00 32.90 ? 128 GLN B CB  1 
ATOM   1059 C  CG  . GLN A 1 122 ? -26.697 -10.777 0.436   1.00 43.71 ? 128 GLN B CG  1 
ATOM   1060 C  CD  . GLN A 1 122 ? -27.930 -10.937 1.303   1.00 48.27 ? 128 GLN B CD  1 
ATOM   1061 O  OE1 . GLN A 1 122 ? -28.691 -11.896 1.188   1.00 56.14 ? 128 GLN B OE1 1 
ATOM   1062 N  NE2 . GLN A 1 122 ? -28.148 -9.975  2.188   1.00 53.76 ? 128 GLN B NE2 1 
ATOM   1063 N  N   . VAL A 1 123 ? -26.986 -9.300  -3.256  1.00 21.11 ? 129 VAL B N   1 
ATOM   1064 C  CA  . VAL A 1 123 ? -26.812 -7.872  -3.657  1.00 18.83 ? 129 VAL B CA  1 
ATOM   1065 C  C   . VAL A 1 123 ? -27.386 -7.679  -5.057  1.00 19.14 ? 129 VAL B C   1 
ATOM   1066 O  O   . VAL A 1 123 ? -26.781 -8.170  -6.005  1.00 18.26 ? 129 VAL B O   1 
ATOM   1067 C  CB  . VAL A 1 123 ? -25.342 -7.443  -3.622  1.00 20.26 ? 129 VAL B CB  1 
ATOM   1068 C  CG1 . VAL A 1 123 ? -25.152 -6.014  -4.110  1.00 21.33 ? 129 VAL B CG1 1 
ATOM   1069 C  CG2 . VAL A 1 123 ? -24.741 -7.597  -2.225  1.00 23.36 ? 129 VAL B CG2 1 
ATOM   1070 N  N   . PRO A 1 124 ? -28.617 -7.150  -5.241  1.00 17.86 ? 130 PRO B N   1 
ATOM   1071 C  CA  . PRO A 1 124 ? -29.206 -7.042  -6.580  1.00 18.54 ? 130 PRO B CA  1 
ATOM   1072 C  C   . PRO A 1 124 ? -28.212 -6.363  -7.500  1.00 17.84 ? 130 PRO B C   1 
ATOM   1073 O  O   . PRO A 1 124 ? -27.731 -5.275  -7.227  1.00 18.10 ? 130 PRO B O   1 
ATOM   1074 C  CB  . PRO A 1 124 ? -30.450 -6.176  -6.304  1.00 20.59 ? 130 PRO B CB  1 
ATOM   1075 C  CG  . PRO A 1 124 ? -30.841 -6.642  -4.894  1.00 20.32 ? 130 PRO B CG  1 
ATOM   1076 C  CD  . PRO A 1 124 ? -29.537 -6.668  -4.183  1.00 21.54 ? 130 PRO B CD  1 
ATOM   1077 N  N   . PRO A 1 125 ? -27.842 -6.979  -8.643  1.00 15.08 ? 131 PRO B N   1 
ATOM   1078 C  CA  . PRO A 1 125 ? -26.848 -6.395  -9.517  1.00 15.81 ? 131 PRO B CA  1 
ATOM   1079 C  C   . PRO A 1 125 ? -27.336 -5.180  -10.312 1.00 14.96 ? 131 PRO B C   1 
ATOM   1080 O  O   . PRO A 1 125 ? -28.442 -5.228  -10.810 1.00 15.71 ? 131 PRO B O   1 
ATOM   1081 C  CB  . PRO A 1 125 ? -26.432 -7.573  -10.416 1.00 17.65 ? 131 PRO B CB  1 
ATOM   1082 C  CG  . PRO A 1 125 ? -27.559 -8.544  -10.336 1.00 17.91 ? 131 PRO B CG  1 
ATOM   1083 C  CD  . PRO A 1 125 ? -28.207 -8.371  -8.987  1.00 15.81 ? 131 PRO B CD  1 
ATOM   1084 N  N   . CYS A 1 126 ? -26.470 -4.195  -10.439 1.00 15.56 ? 132 CYS B N   1 
ATOM   1085 C  CA  . CYS A 1 126 ? -26.677 -3.066  -11.387 1.00 16.53 ? 132 CYS B CA  1 
ATOM   1086 C  C   . CYS A 1 126 ? -25.896 -3.316  -12.682 1.00 14.17 ? 132 CYS B C   1 
ATOM   1087 O  O   . CYS A 1 126 ? -26.225 -2.752  -13.713 1.00 13.77 ? 132 CYS B O   1 
ATOM   1088 C  CB  . CYS A 1 126 ? -26.255 -1.730  -10.811 1.00 19.77 ? 132 CYS B CB  1 
ATOM   1089 S  SG  . CYS A 1 126 ? -27.304 -1.284  -9.399  1.00 26.63 ? 132 CYS B SG  1 
ATOM   1090 N  N   A GLN A 1 127 ? -24.828 -4.131  -12.644 0.25 14.33 ? 133 GLN B N   1 
ATOM   1091 N  N   B GLN A 1 127 ? -24.917 -4.224  -12.615 0.25 14.61 ? 133 GLN B N   1 
ATOM   1092 C  CA  A GLN A 1 127 ? -24.069 -4.530  -13.865 0.25 14.96 ? 133 GLN B CA  1 
ATOM   1093 C  CA  B GLN A 1 127 ? -24.039 -4.566  -13.756 0.25 15.72 ? 133 GLN B CA  1 
ATOM   1094 C  C   A GLN A 1 127 ? -23.659 -6.004  -13.753 0.25 14.33 ? 133 GLN B C   1 
ATOM   1095 C  C   B GLN A 1 127 ? -23.771 -6.075  -13.708 0.25 14.98 ? 133 GLN B C   1 
ATOM   1096 O  O   A GLN A 1 127 ? -23.218 -6.433  -12.667 0.25 12.43 ? 133 GLN B O   1 
ATOM   1097 O  O   B GLN A 1 127 ? -23.650 -6.643  -12.597 0.25 13.38 ? 133 GLN B O   1 
ATOM   1098 C  CB  A GLN A 1 127 ? -22.798 -3.714  -14.140 0.25 16.85 ? 133 GLN B CB  1 
ATOM   1099 C  CB  B GLN A 1 127 ? -22.763 -3.721  -13.723 0.25 18.42 ? 133 GLN B CB  1 
ATOM   1100 C  CG  A GLN A 1 127 ? -23.016 -2.224  -14.364 0.25 18.38 ? 133 GLN B CG  1 
ATOM   1101 C  CG  B GLN A 1 127 ? -23.008 -2.242  -13.974 0.25 20.25 ? 133 GLN B CG  1 
ATOM   1102 C  CD  A GLN A 1 127 ? -22.913 -1.470  -13.062 0.25 20.51 ? 133 GLN B CD  1 
ATOM   1103 C  CD  B GLN A 1 127 ? -21.754 -1.469  -14.299 0.25 21.68 ? 133 GLN B CD  1 
ATOM   1104 O  OE1 A GLN A 1 127 ? -22.169 -1.860  -12.166 0.25 21.02 ? 133 GLN B OE1 1 
ATOM   1105 O  OE1 B GLN A 1 127 ? -20.666 -2.025  -14.432 0.25 25.01 ? 133 GLN B OE1 1 
ATOM   1106 N  NE2 A GLN A 1 127 ? -23.693 -0.404  -12.934 0.25 21.05 ? 133 GLN B NE2 1 
ATOM   1107 N  NE2 B GLN A 1 127 ? -21.908 -0.166  -14.439 0.25 23.99 ? 133 GLN B NE2 1 
ATOM   1108 N  N   . ILE A 1 128 ? -23.788 -6.706  -14.880 1.00 13.70 ? 134 ILE B N   1 
ATOM   1109 C  CA  . ILE A 1 128 ? -23.636 -8.183  -15.020 1.00 13.67 ? 134 ILE B CA  1 
ATOM   1110 C  C   . ILE A 1 128 ? -22.427 -8.360  -15.935 1.00 13.68 ? 134 ILE B C   1 
ATOM   1111 O  O   . ILE A 1 128 ? -22.365 -7.757  -17.034 1.00 12.82 ? 134 ILE B O   1 
ATOM   1112 C  CB  . ILE A 1 128 ? -24.880 -8.833  -15.621 1.00 14.48 ? 134 ILE B CB  1 
ATOM   1113 C  CG1 . ILE A 1 128 ? -26.160 -8.636  -14.794 1.00 17.91 ? 134 ILE B CG1 1 
ATOM   1114 C  CG2 . ILE A 1 128 ? -24.589 -10.317 -15.889 1.00 14.02 ? 134 ILE B CG2 1 
ATOM   1115 C  CD1 . ILE A 1 128 ? -26.200 -9.405  -13.572 1.00 17.42 ? 134 ILE B CD1 1 
ATOM   1116 N  N   . GLY A 1 129 ? -21.486 -9.227  -15.562 1.00 13.36 ? 135 GLY B N   1 
ATOM   1117 C  CA  . GLY A 1 129 ? -20.397 -9.662  -16.436 1.00 13.22 ? 135 GLY B CA  1 
ATOM   1118 C  C   . GLY A 1 129 ? -20.700 -11.034 -17.012 1.00 12.67 ? 135 GLY B C   1 
ATOM   1119 O  O   . GLY A 1 129 ? -21.263 -11.904 -16.331 1.00 12.67 ? 135 GLY B O   1 
ATOM   1120 N  N   . ILE A 1 130 ? -20.471 -11.172 -18.320 1.00 12.77 ? 136 ILE B N   1 
ATOM   1121 C  CA  . ILE A 1 130 ? -20.706 -12.449 -19.052 1.00 12.44 ? 136 ILE B CA  1 
ATOM   1122 C  C   . ILE A 1 130 ? -19.396 -12.932 -19.649 1.00 13.52 ? 136 ILE B C   1 
ATOM   1123 O  O   . ILE A 1 130 ? -18.718 -12.175 -20.355 1.00 12.97 ? 136 ILE B O   1 
ATOM   1124 C  CB  . ILE A 1 130 ? -21.764 -12.245 -20.151 1.00 14.10 ? 136 ILE B CB  1 
ATOM   1125 C  CG1 . ILE A 1 130 ? -23.059 -11.721 -19.537 1.00 16.05 ? 136 ILE B CG1 1 
ATOM   1126 C  CG2 . ILE A 1 130 ? -21.995 -13.521 -20.962 1.00 14.02 ? 136 ILE B CG2 1 
ATOM   1127 C  CD1 . ILE A 1 130 ? -24.092 -11.325 -20.503 1.00 18.23 ? 136 ILE B CD1 1 
ATOM   1128 N  N   . PHE A 1 131 ? -19.050 -14.148 -19.298 1.00 12.64 ? 137 PHE B N   1 
ATOM   1129 C  CA  . PHE A 1 131 ? -17.796 -14.806 -19.737 1.00 12.73 ? 137 PHE B CA  1 
ATOM   1130 C  C   . PHE A 1 131 ? -18.148 -16.061 -20.516 1.00 12.31 ? 137 PHE B C   1 
ATOM   1131 O  O   . PHE A 1 131 ? -18.914 -16.909 -20.052 1.00 12.49 ? 137 PHE B O   1 
ATOM   1132 C  CB  . PHE A 1 131 ? -16.940 -15.221 -18.549 1.00 13.64 ? 137 PHE B CB  1 
ATOM   1133 C  CG  . PHE A 1 131 ? -15.681 -15.977 -18.911 1.00 14.26 ? 137 PHE B CG  1 
ATOM   1134 C  CD1 . PHE A 1 131 ? -14.665 -15.350 -19.606 1.00 16.52 ? 137 PHE B CD1 1 
ATOM   1135 C  CD2 . PHE A 1 131 ? -15.527 -17.316 -18.583 1.00 16.02 ? 137 PHE B CD2 1 
ATOM   1136 C  CE1 . PHE A 1 131 ? -13.491 -16.031 -19.913 1.00 18.84 ? 137 PHE B CE1 1 
ATOM   1137 C  CE2 . PHE A 1 131 ? -14.370 -18.002 -18.927 1.00 17.53 ? 137 PHE B CE2 1 
ATOM   1138 C  CZ  . PHE A 1 131 ? -13.361 -17.359 -19.589 1.00 16.29 ? 137 PHE B CZ  1 
ATOM   1139 N  N   . VAL A 1 132 ? -17.588 -16.177 -21.728 1.00 12.44 ? 138 VAL B N   1 
ATOM   1140 C  CA  . VAL A 1 132 ? -17.719 -17.369 -22.592 1.00 12.41 ? 138 VAL B CA  1 
ATOM   1141 C  C   . VAL A 1 132 ? -16.334 -17.962 -22.887 1.00 11.31 ? 138 VAL B C   1 
ATOM   1142 O  O   . VAL A 1 132 ? -15.455 -17.256 -23.341 1.00 14.05 ? 138 VAL B O   1 
ATOM   1143 C  CB  . VAL A 1 132 ? -18.461 -17.055 -23.905 1.00 12.32 ? 138 VAL B CB  1 
ATOM   1144 C  CG1 . VAL A 1 132 ? -18.612 -18.328 -24.751 1.00 14.07 ? 138 VAL B CG1 1 
ATOM   1145 C  CG2 . VAL A 1 132 ? -19.823 -16.440 -23.612 1.00 13.41 ? 138 VAL B CG2 1 
ATOM   1146 N  N   . ASP A 1 133 ? -16.187 -19.239 -22.570 1.00 12.50 ? 139 ASP B N   1 
ATOM   1147 C  CA  . ASP A 1 133 ? -15.009 -20.043 -23.020 1.00 13.87 ? 139 ASP B CA  1 
ATOM   1148 C  C   . ASP A 1 133 ? -15.525 -21.067 -24.018 1.00 12.34 ? 139 ASP B C   1 
ATOM   1149 O  O   . ASP A 1 133 ? -16.152 -22.065 -23.647 1.00 13.09 ? 139 ASP B O   1 
ATOM   1150 C  CB  . ASP A 1 133 ? -14.269 -20.637 -21.842 1.00 13.64 ? 139 ASP B CB  1 
ATOM   1151 C  CG  . ASP A 1 133 ? -13.001 -21.381 -22.238 1.00 16.86 ? 139 ASP B CG  1 
ATOM   1152 O  OD1 . ASP A 1 133 ? -12.897 -21.821 -23.413 1.00 17.34 ? 139 ASP B OD1 1 
ATOM   1153 O  OD2 . ASP A 1 133 ? -12.181 -21.537 -21.321 1.00 20.83 ? 139 ASP B OD2 1 
ATOM   1154 N  N   . TYR A 1 134 ? -15.316 -20.792 -25.316 1.00 13.34 ? 140 TYR B N   1 
ATOM   1155 C  CA  . TYR A 1 134 ? -15.904 -21.624 -26.384 1.00 13.17 ? 140 TYR B CA  1 
ATOM   1156 C  C   . TYR A 1 134 ? -15.392 -23.080 -26.328 1.00 14.68 ? 140 TYR B C   1 
ATOM   1157 O  O   . TYR A 1 134 ? -16.143 -24.025 -26.233 1.00 15.90 ? 140 TYR B O   1 
ATOM   1158 C  CB  . TYR A 1 134 ? -15.655 -21.020 -27.769 1.00 13.71 ? 140 TYR B CB  1 
ATOM   1159 C  CG  . TYR A 1 134 ? -16.597 -21.614 -28.787 1.00 13.76 ? 140 TYR B CG  1 
ATOM   1160 C  CD1 . TYR A 1 134 ? -16.439 -22.906 -29.271 1.00 14.18 ? 140 TYR B CD1 1 
ATOM   1161 C  CD2 . TYR A 1 134 ? -17.742 -20.935 -29.182 1.00 13.86 ? 140 TYR B CD2 1 
ATOM   1162 C  CE1 . TYR A 1 134 ? -17.328 -23.481 -30.157 1.00 14.75 ? 140 TYR B CE1 1 
ATOM   1163 C  CE2 . TYR A 1 134 ? -18.651 -21.512 -30.066 1.00 13.17 ? 140 TYR B CE2 1 
ATOM   1164 C  CZ  . TYR A 1 134 ? -18.446 -22.787 -30.574 1.00 13.55 ? 140 TYR B CZ  1 
ATOM   1165 O  OH  . TYR A 1 134 ? -19.360 -23.388 -31.392 1.00 14.15 ? 140 TYR B OH  1 
ATOM   1166 N  N   . GLU A 1 135 ? -14.083 -23.199 -26.225 1.00 15.64 ? 141 GLU B N   1 
ATOM   1167 C  CA  . GLU A 1 135 ? -13.459 -24.541 -26.244 1.00 16.81 ? 141 GLU B CA  1 
ATOM   1168 C  C   . GLU A 1 135 ? -13.867 -25.306 -25.004 1.00 15.85 ? 141 GLU B C   1 
ATOM   1169 O  O   . GLU A 1 135 ? -14.179 -26.541 -25.135 1.00 18.45 ? 141 GLU B O   1 
ATOM   1170 C  CB  . GLU A 1 135 ? -11.949 -24.444 -26.376 1.00 18.13 ? 141 GLU B CB  1 
ATOM   1171 C  CG  . GLU A 1 135 ? -11.519 -24.290 -27.847 1.00 23.32 ? 141 GLU B CG  1 
ATOM   1172 C  CD  . GLU A 1 135 ? -11.834 -22.931 -28.392 1.00 25.85 ? 141 GLU B CD  1 
ATOM   1173 O  OE1 . GLU A 1 135 ? -12.040 -22.825 -29.568 1.00 26.12 ? 141 GLU B OE1 1 
ATOM   1174 O  OE2 . GLU A 1 135 ? -11.881 -21.964 -27.589 1.00 27.06 ? 141 GLU B OE2 1 
ATOM   1175 N  N   . ALA A 1 136 ? -13.908 -24.682 -23.833 1.00 14.87 ? 142 ALA B N   1 
ATOM   1176 C  CA  . ALA A 1 136 ? -14.273 -25.381 -22.589 1.00 15.78 ? 142 ALA B CA  1 
ATOM   1177 C  C   . ALA A 1 136 ? -15.781 -25.693 -22.500 1.00 16.31 ? 142 ALA B C   1 
ATOM   1178 O  O   . ALA A 1 136 ? -16.168 -26.543 -21.671 1.00 17.83 ? 142 ALA B O   1 
ATOM   1179 C  CB  . ALA A 1 136 ? -13.821 -24.581 -21.408 1.00 17.24 ? 142 ALA B CB  1 
ATOM   1180 N  N   . GLY A 1 137 ? -16.633 -25.046 -23.286 1.00 13.65 ? 143 GLY B N   1 
ATOM   1181 C  CA  . GLY A 1 137 ? -18.084 -25.196 -23.210 1.00 13.45 ? 143 GLY B CA  1 
ATOM   1182 C  C   . GLY A 1 137 ? -18.606 -24.572 -21.910 1.00 12.87 ? 143 GLY B C   1 
ATOM   1183 O  O   . GLY A 1 137 ? -19.405 -25.248 -21.218 1.00 12.94 ? 143 GLY B O   1 
ATOM   1184 N  N   . VAL A 1 138 ? -18.206 -23.338 -21.625 1.00 12.63 ? 144 VAL B N   1 
ATOM   1185 C  CA  . VAL A 1 138 ? -18.592 -22.633 -20.359 1.00 12.50 ? 144 VAL B CA  1 
ATOM   1186 C  C   . VAL A 1 138 ? -19.202 -21.278 -20.691 1.00 12.53 ? 144 VAL B C   1 
ATOM   1187 O  O   . VAL A 1 138 ? -18.616 -20.494 -21.498 1.00 13.01 ? 144 VAL B O   1 
ATOM   1188 C  CB  . VAL A 1 138 ? -17.345 -22.460 -19.484 1.00 13.79 ? 144 VAL B CB  1 
ATOM   1189 C  CG1 . VAL A 1 138 ? -17.589 -21.518 -18.304 1.00 14.75 ? 144 VAL B CG1 1 
ATOM   1190 C  CG2 . VAL A 1 138 ? -16.880 -23.835 -19.011 1.00 14.90 ? 144 VAL B CG2 1 
ATOM   1191 N  N   . VAL A 1 139 ? -20.311 -20.969 -20.014 1.00 11.86 ? 145 VAL B N   1 
ATOM   1192 C  CA  . VAL A 1 139 ? -20.845 -19.576 -19.943 1.00 10.87 ? 145 VAL B CA  1 
ATOM   1193 C  C   . VAL A 1 139 ? -21.044 -19.225 -18.456 1.00 10.68 ? 145 VAL B C   1 
ATOM   1194 O  O   . VAL A 1 139 ? -21.827 -19.956 -17.800 1.00 11.94 ? 145 VAL B O   1 
ATOM   1195 C  CB  . VAL A 1 139 ? -22.172 -19.443 -20.714 1.00 11.78 ? 145 VAL B CB  1 
ATOM   1196 C  CG1 . VAL A 1 139 ? -22.678 -18.003 -20.709 1.00 11.37 ? 145 VAL B CG1 1 
ATOM   1197 C  CG2 . VAL A 1 139 ? -22.049 -19.967 -22.140 1.00 11.95 ? 145 VAL B CG2 1 
ATOM   1198 N  N   . SER A 1 140 ? -20.410 -18.164 -18.008 1.00 11.47 ? 146 SER B N   1 
ATOM   1199 C  CA  . SER A 1 140 ? -20.497 -17.759 -16.587 1.00 11.14 ? 146 SER B CA  1 
ATOM   1200 C  C   . SER A 1 140 ? -20.978 -16.308 -16.501 1.00 10.81 ? 146 SER B C   1 
ATOM   1201 O  O   . SER A 1 140 ? -20.675 -15.482 -17.341 1.00 11.80 ? 146 SER B O   1 
ATOM   1202 C  CB  . SER A 1 140 ? -19.138 -17.934 -15.901 1.00 12.03 ? 146 SER B CB  1 
ATOM   1203 O  OG  . SER A 1 140 ? -18.776 -19.303 -15.790 1.00 12.84 ? 146 SER B OG  1 
ATOM   1204 N  N   . PHE A 1 141 ? -21.663 -16.030 -15.398 1.00 10.55 ? 147 PHE B N   1 
ATOM   1205 C  CA  . PHE A 1 141 ? -22.268 -14.725 -15.098 1.00 10.78 ? 147 PHE B CA  1 
ATOM   1206 C  C   . PHE A 1 141 ? -21.718 -14.267 -13.750 1.00 11.07 ? 147 PHE B C   1 
ATOM   1207 O  O   . PHE A 1 141 ? -21.729 -15.044 -12.760 1.00 11.77 ? 147 PHE B O   1 
ATOM   1208 C  CB  . PHE A 1 141 ? -23.804 -14.824 -15.086 1.00 10.91 ? 147 PHE B CB  1 
ATOM   1209 C  CG  . PHE A 1 141 ? -24.369 -15.248 -16.409 1.00 10.37 ? 147 PHE B CG  1 
ATOM   1210 C  CD1 . PHE A 1 141 ? -24.464 -16.601 -16.770 1.00 10.79 ? 147 PHE B CD1 1 
ATOM   1211 C  CD2 . PHE A 1 141 ? -24.908 -14.287 -17.265 1.00 10.97 ? 147 PHE B CD2 1 
ATOM   1212 C  CE1 . PHE A 1 141 ? -24.964 -16.942 -18.035 1.00 10.90 ? 147 PHE B CE1 1 
ATOM   1213 C  CE2 . PHE A 1 141 ? -25.395 -14.649 -18.527 1.00 10.26 ? 147 PHE B CE2 1 
ATOM   1214 C  CZ  . PHE A 1 141 ? -25.470 -15.979 -18.875 1.00 10.20 ? 147 PHE B CZ  1 
ATOM   1215 N  N   . TYR A 1 142 ? -21.400 -12.976 -13.683 1.00 11.51 ? 148 TYR B N   1 
ATOM   1216 C  CA  . TYR A 1 142 ? -20.723 -12.361 -12.509 1.00 12.71 ? 148 TYR B CA  1 
ATOM   1217 C  C   . TYR A 1 142 ? -21.485 -11.107 -12.101 1.00 13.79 ? 148 TYR B C   1 
ATOM   1218 O  O   . TYR A 1 142 ? -21.987 -10.343 -12.904 1.00 14.17 ? 148 TYR B O   1 
ATOM   1219 C  CB  . TYR A 1 142 ? -19.262 -12.074 -12.790 1.00 12.40 ? 148 TYR B CB  1 
ATOM   1220 C  CG  . TYR A 1 142 ? -18.461 -13.323 -13.067 1.00 13.65 ? 148 TYR B CG  1 
ATOM   1221 C  CD1 . TYR A 1 142 ? -17.979 -14.097 -12.045 1.00 14.24 ? 148 TYR B CD1 1 
ATOM   1222 C  CD2 . TYR A 1 142 ? -18.272 -13.783 -14.351 1.00 14.56 ? 148 TYR B CD2 1 
ATOM   1223 C  CE1 . TYR A 1 142 ? -17.310 -15.280 -12.287 1.00 14.87 ? 148 TYR B CE1 1 
ATOM   1224 C  CE2 . TYR A 1 142 ? -17.572 -14.945 -14.624 1.00 14.83 ? 148 TYR B CE2 1 
ATOM   1225 C  CZ  . TYR A 1 142 ? -17.071 -15.702 -13.582 1.00 15.10 ? 148 TYR B CZ  1 
ATOM   1226 O  OH  . TYR A 1 142 ? -16.429 -16.899 -13.810 1.00 17.80 ? 148 TYR B OH  1 
ATOM   1227 N  N   . ASN A 1 143 ? -21.520 -10.864 -10.791 1.00 14.64 ? 149 ASN B N   1 
ATOM   1228 C  CA  . ASN A 1 143 ? -22.244 -9.703  -10.186 1.00 13.66 ? 149 ASN B CA  1 
ATOM   1229 C  C   . ASN A 1 143 ? -21.230 -8.577  -9.999  1.00 14.92 ? 149 ASN B C   1 
ATOM   1230 O  O   . ASN A 1 143 ? -20.459 -8.614  -9.000  1.00 15.90 ? 149 ASN B O   1 
ATOM   1231 C  CB  . ASN A 1 143 ? -22.889 -10.135 -8.871  1.00 14.60 ? 149 ASN B CB  1 
ATOM   1232 C  CG  . ASN A 1 143 ? -23.703 -9.037  -8.209  1.00 14.09 ? 149 ASN B CG  1 
ATOM   1233 O  OD1 . ASN A 1 143 ? -23.503 -7.863  -8.547  1.00 15.88 ? 149 ASN B OD1 1 
ATOM   1234 N  ND2 . ASN A 1 143 ? -24.599 -9.436  -7.347  1.00 14.93 ? 149 ASN B ND2 1 
ATOM   1235 N  N   . ILE A 1 144 ? -21.165 -7.585  -10.868 1.00 15.79 ? 150 ILE B N   1 
ATOM   1236 C  CA  . ILE A 1 144 ? -20.076 -6.577  -10.848 1.00 16.23 ? 150 ILE B CA  1 
ATOM   1237 C  C   . ILE A 1 144 ? -20.331 -5.682  -9.618  1.00 17.36 ? 150 ILE B C   1 
ATOM   1238 O  O   . ILE A 1 144 ? -19.331 -5.218  -9.014  1.00 19.59 ? 150 ILE B O   1 
ATOM   1239 C  CB  . ILE A 1 144 ? -20.065 -5.800  -12.169 1.00 17.74 ? 150 ILE B CB  1 
ATOM   1240 C  CG1 . ILE A 1 144 ? -19.900 -6.720  -13.384 1.00 18.26 ? 150 ILE B CG1 1 
ATOM   1241 C  CG2 . ILE A 1 144 ? -19.025 -4.674  -12.147 1.00 20.23 ? 150 ILE B CG2 1 
ATOM   1242 C  CD1 . ILE A 1 144 ? -18.823 -7.757  -13.225 1.00 21.77 ? 150 ILE B CD1 1 
ATOM   1243 N  N   . THR A 1 145 ? -21.582 -5.495  -9.227  1.00 17.14 ? 151 THR B N   1 
ATOM   1244 C  CA  . THR A 1 145 ? -21.977 -4.641  -8.056  1.00 17.89 ? 151 THR B CA  1 
ATOM   1245 C  C   . THR A 1 145 ? -21.401 -5.258  -6.782  1.00 21.06 ? 151 THR B C   1 
ATOM   1246 O  O   . THR A 1 145 ? -20.985 -4.482  -5.885  1.00 24.71 ? 151 THR B O   1 
ATOM   1247 C  CB  . THR A 1 145 ? -23.506 -4.513  -7.980  1.00 17.98 ? 151 THR B CB  1 
ATOM   1248 O  OG1 . THR A 1 145 ? -23.908 -4.051  -9.266  1.00 17.51 ? 151 THR B OG1 1 
ATOM   1249 C  CG2 . THR A 1 145 ? -23.935 -3.554  -6.892  1.00 19.35 ? 151 THR B CG2 1 
ATOM   1250 N  N   . ASP A 1 146 ? -21.328 -6.583  -6.696  1.00 19.40 ? 152 ASP B N   1 
ATOM   1251 C  CA  . ASP A 1 146 ? -20.812 -7.349  -5.521  1.00 19.97 ? 152 ASP B CA  1 
ATOM   1252 C  C   . ASP A 1 146 ? -19.390 -7.879  -5.784  1.00 19.46 ? 152 ASP B C   1 
ATOM   1253 O  O   . ASP A 1 146 ? -19.188 -9.079  -5.627  1.00 20.94 ? 152 ASP B O   1 
ATOM   1254 C  CB  . ASP A 1 146 ? -21.848 -8.380  -5.144  1.00 20.22 ? 152 ASP B CB  1 
ATOM   1255 C  CG  . ASP A 1 146 ? -21.497 -9.165  -3.899  1.00 25.29 ? 152 ASP B CG  1 
ATOM   1256 O  OD1 . ASP A 1 146 ? -21.075 -8.515  -2.942  1.00 24.61 ? 152 ASP B OD1 1 
ATOM   1257 O  OD2 . ASP A 1 146 ? -21.629 -10.411 -3.926  1.00 23.93 ? 152 ASP B OD2 1 
ATOM   1258 N  N   . HIS A 1 147 ? -18.469 -7.033  -6.209  1.00 21.15 ? 153 HIS B N   1 
ATOM   1259 C  CA  . HIS A 1 147 ? -17.025 -7.361  -6.297  1.00 24.86 ? 153 HIS B CA  1 
ATOM   1260 C  C   . HIS A 1 147 ? -16.838 -8.550  -7.250  1.00 26.74 ? 153 HIS B C   1 
ATOM   1261 O  O   . HIS A 1 147 ? -15.923 -9.348  -7.046  1.00 27.47 ? 153 HIS B O   1 
ATOM   1262 C  CB  . HIS A 1 147 ? -16.446 -7.743  -4.924  1.00 31.04 ? 153 HIS B CB  1 
ATOM   1263 C  CG  . HIS A 1 147 ? -16.701 -6.770  -3.815  1.00 41.04 ? 153 HIS B CG  1 
ATOM   1264 N  ND1 . HIS A 1 147 ? -16.175 -5.483  -3.820  1.00 50.03 ? 153 HIS B ND1 1 
ATOM   1265 C  CD2 . HIS A 1 147 ? -17.382 -6.903  -2.652  1.00 46.25 ? 153 HIS B CD2 1 
ATOM   1266 C  CE1 . HIS A 1 147 ? -16.544 -4.854  -2.716  1.00 51.15 ? 153 HIS B CE1 1 
ATOM   1267 N  NE2 . HIS A 1 147 ? -17.285 -5.709  -1.978  1.00 51.43 ? 153 HIS B NE2 1 
ATOM   1268 N  N   . GLY A 1 148 ? -17.705 -8.700  -8.247  1.00 20.65 ? 154 GLY B N   1 
ATOM   1269 C  CA  . GLY A 1 148 ? -17.494 -9.762  -9.256  1.00 18.83 ? 154 GLY B CA  1 
ATOM   1270 C  C   . GLY A 1 148 ? -17.920 -11.144 -8.814  1.00 17.32 ? 154 GLY B C   1 
ATOM   1271 O  O   . GLY A 1 148 ? -17.371 -12.099 -9.382  1.00 17.23 ? 154 GLY B O   1 
ATOM   1272 N  N   . SER A 1 149 ? -18.760 -11.297 -7.801  1.00 15.60 ? 155 SER B N   1 
ATOM   1273 C  CA  . SER A 1 149 ? -19.128 -12.629 -7.259  1.00 14.80 ? 155 SER B CA  1 
ATOM   1274 C  C   . SER A 1 149 ? -19.814 -13.476 -8.333  1.00 15.96 ? 155 SER B C   1 
ATOM   1275 O  O   . SER A 1 149 ? -20.590 -12.957 -9.167  1.00 15.11 ? 155 SER B O   1 
ATOM   1276 C  CB  . SER A 1 149 ? -19.972 -12.545 -6.030  1.00 16.11 ? 155 SER B CB  1 
ATOM   1277 O  OG  . SER A 1 149 ? -21.147 -11.770 -6.193  1.00 17.06 ? 155 SER B OG  1 
ATOM   1278 N  N   . LEU A 1 150 ? -19.609 -14.768 -8.308  1.00 14.50 ? 156 LEU B N   1 
ATOM   1279 C  CA  . LEU A 1 150 ? -20.258 -15.675 -9.296  1.00 12.92 ? 156 LEU B CA  1 
ATOM   1280 C  C   . LEU A 1 150 ? -21.754 -15.727 -9.052  1.00 12.47 ? 156 LEU B C   1 
ATOM   1281 O  O   . LEU A 1 150 ? -22.243 -15.926 -7.914  1.00 13.75 ? 156 LEU B O   1 
ATOM   1282 C  CB  . LEU A 1 150 ? -19.661 -17.078 -9.181  1.00 12.96 ? 156 LEU B CB  1 
ATOM   1283 C  CG  . LEU A 1 150 ? -20.212 -18.145 -10.131 1.00 13.48 ? 156 LEU B CG  1 
ATOM   1284 C  CD1 . LEU A 1 150 ? -19.840 -17.858 -11.567 1.00 13.88 ? 156 LEU B CD1 1 
ATOM   1285 C  CD2 . LEU A 1 150 ? -19.638 -19.528 -9.748  1.00 14.39 ? 156 LEU B CD2 1 
ATOM   1286 N  N   . ILE A 1 151 ? -22.503 -15.589 -10.144 1.00 11.45 ? 157 ILE B N   1 
ATOM   1287 C  CA  . ILE A 1 151 ? -23.952 -15.800 -10.169 1.00 12.18 ? 157 ILE B CA  1 
ATOM   1288 C  C   . ILE A 1 151 ? -24.283 -17.228 -10.616 1.00 11.86 ? 157 ILE B C   1 
ATOM   1289 O  O   . ILE A 1 151 ? -25.136 -17.922 -10.021 1.00 11.92 ? 157 ILE B O   1 
ATOM   1290 C  CB  . ILE A 1 151 ? -24.632 -14.726 -11.054 1.00 12.26 ? 157 ILE B CB  1 
ATOM   1291 C  CG1 . ILE A 1 151 ? -24.470 -13.329 -10.475 1.00 13.07 ? 157 ILE B CG1 1 
ATOM   1292 C  CG2 . ILE A 1 151 ? -26.112 -15.073 -11.249 1.00 12.23 ? 157 ILE B CG2 1 
ATOM   1293 C  CD1 . ILE A 1 151 ? -24.832 -12.213 -11.463 1.00 14.61 ? 157 ILE B CD1 1 
ATOM   1294 N  N   . TYR A 1 152 ? -23.733 -17.626 -11.773 1.00 11.43 ? 158 TYR B N   1 
ATOM   1295 C  CA  . TYR A 1 152 ? -24.128 -18.931 -12.362 1.00 11.00 ? 158 TYR B CA  1 
ATOM   1296 C  C   . TYR A 1 152 ? -23.091 -19.321 -13.424 1.00 10.63 ? 158 TYR B C   1 
ATOM   1297 O  O   . TYR A 1 152 ? -22.603 -18.474 -14.165 1.00 11.18 ? 158 TYR B O   1 
ATOM   1298 C  CB  . TYR A 1 152 ? -25.505 -18.877 -13.080 1.00 11.34 ? 158 TYR B CB  1 
ATOM   1299 C  CG  . TYR A 1 152 ? -26.038 -20.240 -13.419 1.00 11.25 ? 158 TYR B CG  1 
ATOM   1300 C  CD1 . TYR A 1 152 ? -26.670 -21.036 -12.464 1.00 11.69 ? 158 TYR B CD1 1 
ATOM   1301 C  CD2 . TYR A 1 152 ? -25.931 -20.755 -14.696 1.00 11.12 ? 158 TYR B CD2 1 
ATOM   1302 C  CE1 . TYR A 1 152 ? -27.116 -22.314 -12.756 1.00 12.48 ? 158 TYR B CE1 1 
ATOM   1303 C  CE2 . TYR A 1 152 ? -26.384 -22.028 -14.998 1.00 11.81 ? 158 TYR B CE2 1 
ATOM   1304 C  CZ  . TYR A 1 152 ? -26.971 -22.815 -14.033 1.00 11.86 ? 158 TYR B CZ  1 
ATOM   1305 O  OH  . TYR A 1 152 ? -27.373 -24.101 -14.299 1.00 14.19 ? 158 TYR B OH  1 
ATOM   1306 N  N   . THR A 1 153 ? -22.804 -20.621 -13.500 1.00 11.15 ? 159 THR B N   1 
ATOM   1307 C  CA  . THR A 1 153 ? -21.978 -21.234 -14.562 1.00 11.03 ? 159 THR B CA  1 
ATOM   1308 C  C   . THR A 1 153 ? -22.781 -22.336 -15.239 1.00 10.82 ? 159 THR B C   1 
ATOM   1309 O  O   . THR A 1 153 ? -23.170 -23.334 -14.626 1.00 12.01 ? 159 THR B O   1 
ATOM   1310 C  CB  . THR A 1 153 ? -20.648 -21.792 -14.011 1.00 12.02 ? 159 THR B CB  1 
ATOM   1311 O  OG1 . THR A 1 153 ? -19.874 -20.672 -13.625 1.00 12.08 ? 159 THR B OG1 1 
ATOM   1312 C  CG2 . THR A 1 153 ? -19.905 -22.625 -15.035 1.00 12.79 ? 159 THR B CG2 1 
ATOM   1313 N  N   . PHE A 1 154 ? -22.968 -22.195 -16.564 1.00 11.32 ? 160 PHE B N   1 
ATOM   1314 C  CA  . PHE A 1 154 ? -23.368 -23.318 -17.445 1.00 11.32 ? 160 PHE B CA  1 
ATOM   1315 C  C   . PHE A 1 154 ? -22.074 -24.013 -17.913 1.00 11.84 ? 160 PHE B C   1 
ATOM   1316 O  O   . PHE A 1 154 ? -21.193 -23.355 -18.457 1.00 11.82 ? 160 PHE B O   1 
ATOM   1317 C  CB  . PHE A 1 154 ? -24.032 -22.817 -18.726 1.00 10.87 ? 160 PHE B CB  1 
ATOM   1318 C  CG  . PHE A 1 154 ? -25.412 -22.215 -18.560 1.00 9.21  ? 160 PHE B CG  1 
ATOM   1319 C  CD1 . PHE A 1 154 ? -25.577 -20.848 -18.318 1.00 9.71  ? 160 PHE B CD1 1 
ATOM   1320 C  CD2 . PHE A 1 154 ? -26.557 -22.966 -18.770 1.00 10.16 ? 160 PHE B CD2 1 
ATOM   1321 C  CE1 . PHE A 1 154 ? -26.849 -20.303 -18.229 1.00 10.37 ? 160 PHE B CE1 1 
ATOM   1322 C  CE2 . PHE A 1 154 ? -27.833 -22.405 -18.673 1.00 10.66 ? 160 PHE B CE2 1 
ATOM   1323 C  CZ  . PHE A 1 154 ? -27.952 -21.063 -18.428 1.00 9.52  ? 160 PHE B CZ  1 
ATOM   1324 N  N   . SER A 1 155 ? -21.960 -25.295 -17.588 1.00 13.24 ? 161 SER B N   1 
ATOM   1325 C  CA  . SER A 1 155 ? -20.820 -26.078 -18.079 1.00 14.25 ? 161 SER B CA  1 
ATOM   1326 C  C   . SER A 1 155 ? -21.326 -27.232 -18.938 1.00 13.47 ? 161 SER B C   1 
ATOM   1327 O  O   . SER A 1 155 ? -22.516 -27.495 -19.014 1.00 15.86 ? 161 SER B O   1 
ATOM   1328 C  CB  . SER A 1 155 ? -19.987 -26.507 -16.897 1.00 17.09 ? 161 SER B CB  1 
ATOM   1329 O  OG  . SER A 1 155 ? -20.641 -27.495 -16.164 1.00 20.75 ? 161 SER B OG  1 
ATOM   1330 N  N   . GLU A 1 156 ? -20.363 -27.908 -19.604 1.00 17.14 ? 162 GLU B N   1 
ATOM   1331 C  CA  . GLU A 1 156 ? -20.708 -28.989 -20.572 1.00 18.11 ? 162 GLU B CA  1 
ATOM   1332 C  C   . GLU A 1 156 ? -21.652 -28.446 -21.648 1.00 17.08 ? 162 GLU B C   1 
ATOM   1333 O  O   . GLU A 1 156 ? -22.589 -29.154 -22.077 1.00 18.77 ? 162 GLU B O   1 
ATOM   1334 C  CB  . GLU A 1 156 ? -21.369 -30.187 -19.893 1.00 21.85 ? 162 GLU B CB  1 
ATOM   1335 C  CG  . GLU A 1 156 ? -20.686 -30.626 -18.622 1.00 26.68 ? 162 GLU B CG  1 
ATOM   1336 C  CD  . GLU A 1 156 ? -21.255 -31.951 -18.165 1.00 37.80 ? 162 GLU B CD  1 
ATOM   1337 O  OE1 . GLU A 1 156 ? -22.353 -31.954 -17.548 1.00 40.73 ? 162 GLU B OE1 1 
ATOM   1338 O  OE2 . GLU A 1 156 ? -20.651 -32.979 -18.523 1.00 43.92 ? 162 GLU B OE2 1 
ATOM   1339 N  N   . CYS A 1 157 ? -21.468 -27.178 -22.025 1.00 15.44 ? 163 CYS B N   1 
ATOM   1340 C  CA  . CYS A 1 157 ? -22.355 -26.546 -23.042 1.00 14.31 ? 163 CYS B CA  1 
ATOM   1341 C  C   . CYS A 1 157 ? -22.101 -27.199 -24.409 1.00 15.49 ? 163 CYS B C   1 
ATOM   1342 O  O   . CYS A 1 157 ? -20.899 -27.404 -24.768 1.00 17.13 ? 163 CYS B O   1 
ATOM   1343 C  CB  . CYS A 1 157 ? -22.161 -25.041 -23.188 1.00 13.42 ? 163 CYS B CB  1 
ATOM   1344 S  SG  . CYS A 1 157 ? -22.579 -24.110 -21.679 1.00 13.83 ? 163 CYS B SG  1 
ATOM   1345 N  N   . VAL A 1 158 ? -23.175 -27.448 -25.136 1.00 15.04 ? 164 VAL B N   1 
ATOM   1346 C  CA  . VAL A 1 158 ? -23.053 -27.963 -26.522 1.00 15.15 ? 164 VAL B CA  1 
ATOM   1347 C  C   . VAL A 1 158 ? -23.491 -26.828 -27.448 1.00 13.31 ? 164 VAL B C   1 
ATOM   1348 O  O   . VAL A 1 158 ? -24.679 -26.714 -27.828 1.00 16.05 ? 164 VAL B O   1 
ATOM   1349 C  CB  . VAL A 1 158 ? -23.804 -29.300 -26.655 1.00 17.12 ? 164 VAL B CB  1 
ATOM   1350 C  CG1 . VAL A 1 158 ? -23.673 -29.804 -28.094 1.00 18.89 ? 164 VAL B CG1 1 
ATOM   1351 C  CG2 . VAL A 1 158 ? -23.244 -30.309 -25.678 1.00 19.23 ? 164 VAL B CG2 1 
ATOM   1352 N  N   . PHE A 1 159 ? -22.581 -25.909 -27.774 1.00 12.83 ? 165 PHE B N   1 
ATOM   1353 C  CA  . PHE A 1 159 ? -22.907 -24.674 -28.536 1.00 13.27 ? 165 PHE B CA  1 
ATOM   1354 C  C   . PHE A 1 159 ? -23.493 -25.050 -29.899 1.00 15.39 ? 165 PHE B C   1 
ATOM   1355 O  O   . PHE A 1 159 ? -24.501 -24.464 -30.334 1.00 15.01 ? 165 PHE B O   1 
ATOM   1356 C  CB  . PHE A 1 159 ? -21.749 -23.682 -28.536 1.00 13.19 ? 165 PHE B CB  1 
ATOM   1357 C  CG  . PHE A 1 159 ? -21.311 -23.212 -27.171 1.00 12.26 ? 165 PHE B CG  1 
ATOM   1358 C  CD1 . PHE A 1 159 ? -22.252 -22.713 -26.279 1.00 13.03 ? 165 PHE B CD1 1 
ATOM   1359 C  CD2 . PHE A 1 159 ? -19.975 -23.208 -26.818 1.00 13.64 ? 165 PHE B CD2 1 
ATOM   1360 C  CE1 . PHE A 1 159 ? -21.846 -22.276 -25.014 1.00 13.31 ? 165 PHE B CE1 1 
ATOM   1361 C  CE2 . PHE A 1 159 ? -19.565 -22.728 -25.589 1.00 14.50 ? 165 PHE B CE2 1 
ATOM   1362 C  CZ  . PHE A 1 159 ? -20.504 -22.217 -24.702 1.00 12.70 ? 165 PHE B CZ  1 
ATOM   1363 N  N   . ALA A 1 160 ? -22.807 -25.951 -30.601 1.00 14.36 ? 166 ALA B N   1 
ATOM   1364 C  CA  . ALA A 1 160 ? -23.272 -26.511 -31.896 1.00 14.55 ? 166 ALA B CA  1 
ATOM   1365 C  C   . ALA A 1 160 ? -23.408 -25.436 -32.976 1.00 14.82 ? 166 ALA B C   1 
ATOM   1366 O  O   . ALA A 1 160 ? -24.233 -25.644 -33.921 1.00 16.06 ? 166 ALA B O   1 
ATOM   1367 C  CB  . ALA A 1 160 ? -24.534 -27.277 -31.722 1.00 14.98 ? 166 ALA B CB  1 
ATOM   1368 N  N   . GLY A 1 161 ? -22.647 -24.375 -32.897 1.00 15.10 ? 167 GLY B N   1 
ATOM   1369 C  CA  . GLY A 1 161 ? -22.681 -23.286 -33.885 1.00 16.10 ? 167 GLY B CA  1 
ATOM   1370 C  C   . GLY A 1 161 ? -21.958 -22.067 -33.392 1.00 14.64 ? 167 GLY B C   1 
ATOM   1371 O  O   . GLY A 1 161 ? -21.548 -22.004 -32.205 1.00 13.94 ? 167 GLY B O   1 
ATOM   1372 N  N   . PRO A 1 162 ? -21.885 -21.022 -34.207 1.00 13.56 ? 168 PRO B N   1 
ATOM   1373 C  CA  . PRO A 1 162 ? -21.380 -19.724 -33.771 1.00 13.13 ? 168 PRO B CA  1 
ATOM   1374 C  C   . PRO A 1 162 ? -22.336 -19.180 -32.703 1.00 13.06 ? 168 PRO B C   1 
ATOM   1375 O  O   . PRO A 1 162 ? -23.536 -19.420 -32.773 1.00 13.22 ? 168 PRO B O   1 
ATOM   1376 C  CB  . PRO A 1 162 ? -21.351 -18.827 -35.005 1.00 14.03 ? 168 PRO B CB  1 
ATOM   1377 C  CG  . PRO A 1 162 ? -21.536 -19.818 -36.156 1.00 13.75 ? 168 PRO B CG  1 
ATOM   1378 C  CD  . PRO A 1 162 ? -22.275 -20.989 -35.630 1.00 13.54 ? 168 PRO B CD  1 
ATOM   1379 N  N   . LEU A 1 163 ? -21.749 -18.414 -31.799 1.00 13.31 ? 169 LEU B N   1 
ATOM   1380 C  CA  . LEU A 1 163 ? -22.523 -17.759 -30.691 1.00 12.06 ? 169 LEU B CA  1 
ATOM   1381 C  C   . LEU A 1 163 ? -22.651 -16.270 -30.958 1.00 13.30 ? 169 LEU B C   1 
ATOM   1382 O  O   . LEU A 1 163 ? -21.693 -15.635 -31.410 1.00 14.00 ? 169 LEU B O   1 
ATOM   1383 C  CB  . LEU A 1 163 ? -21.830 -17.987 -29.342 1.00 12.85 ? 169 LEU B CB  1 
ATOM   1384 C  CG  . LEU A 1 163 ? -21.838 -19.412 -28.794 1.00 13.64 ? 169 LEU B CG  1 
ATOM   1385 C  CD1 . LEU A 1 163 ? -21.027 -19.449 -27.519 1.00 13.88 ? 169 LEU B CD1 1 
ATOM   1386 C  CD2 . LEU A 1 163 ? -23.261 -19.906 -28.534 1.00 14.13 ? 169 LEU B CD2 1 
ATOM   1387 N  N   . ARG A 1 164 ? -23.773 -15.703 -30.539 1.00 12.11 ? 170 ARG B N   1 
ATOM   1388 C  CA  . ARG A 1 164 ? -23.993 -14.256 -30.536 1.00 11.80 ? 170 ARG B CA  1 
ATOM   1389 C  C   . ARG A 1 164 ? -24.400 -13.776 -29.142 1.00 10.64 ? 170 ARG B C   1 
ATOM   1390 O  O   . ARG A 1 164 ? -25.172 -14.466 -28.458 1.00 11.04 ? 170 ARG B O   1 
ATOM   1391 C  CB  . ARG A 1 164 ? -25.071 -13.896 -31.548 1.00 13.46 ? 170 ARG B CB  1 
ATOM   1392 C  CG  . ARG A 1 164 ? -24.591 -14.294 -32.956 1.00 16.16 ? 170 ARG B CG  1 
ATOM   1393 C  CD  . ARG A 1 164 ? -25.472 -13.893 -34.094 1.00 18.91 ? 170 ARG B CD  1 
ATOM   1394 N  NE  . ARG A 1 164 ? -25.542 -12.451 -34.208 1.00 16.72 ? 170 ARG B NE  1 
ATOM   1395 C  CZ  . ARG A 1 164 ? -26.247 -11.830 -35.129 1.00 17.95 ? 170 ARG B CZ  1 
ATOM   1396 N  NH1 . ARG A 1 164 ? -26.866 -12.531 -36.054 1.00 18.41 ? 170 ARG B NH1 1 
ATOM   1397 N  NH2 . ARG A 1 164 ? -26.312 -10.520 -35.132 1.00 16.37 ? 170 ARG B NH2 1 
ATOM   1398 N  N   . PRO A 1 165 ? -23.954 -12.570 -28.750 1.00 10.45 ? 171 PRO B N   1 
ATOM   1399 C  CA  . PRO A 1 165 ? -24.486 -11.970 -27.516 1.00 10.08 ? 171 PRO B CA  1 
ATOM   1400 C  C   . PRO A 1 165 ? -25.999 -11.803 -27.638 1.00 10.23 ? 171 PRO B C   1 
ATOM   1401 O  O   . PRO A 1 165 ? -26.504 -11.495 -28.713 1.00 11.30 ? 171 PRO B O   1 
ATOM   1402 C  CB  . PRO A 1 165 ? -23.799 -10.600 -27.412 1.00 10.85 ? 171 PRO B CB  1 
ATOM   1403 C  CG  . PRO A 1 165 ? -22.511 -10.760 -28.238 1.00 12.88 ? 171 PRO B CG  1 
ATOM   1404 C  CD  . PRO A 1 165 ? -22.931 -11.685 -29.354 1.00 12.95 ? 171 PRO B CD  1 
ATOM   1405 N  N   . PHE A 1 166 ? -26.723 -12.084 -26.558 1.00 9.49  ? 172 PHE B N   1 
ATOM   1406 C  CA  . PHE A 1 166 ? -28.200 -12.125 -26.558 1.00 10.07 ? 172 PHE B CA  1 
ATOM   1407 C  C   . PHE A 1 166 ? -28.706 -11.165 -25.475 1.00 9.26  ? 172 PHE B C   1 
ATOM   1408 O  O   . PHE A 1 166 ? -28.221 -11.142 -24.310 1.00 9.53  ? 172 PHE B O   1 
ATOM   1409 C  CB  . PHE A 1 166 ? -28.681 -13.547 -26.257 1.00 10.00 ? 172 PHE B CB  1 
ATOM   1410 C  CG  . PHE A 1 166 ? -30.181 -13.640 -26.052 1.00 10.90 ? 172 PHE B CG  1 
ATOM   1411 C  CD1 . PHE A 1 166 ? -31.030 -13.634 -27.156 1.00 11.33 ? 172 PHE B CD1 1 
ATOM   1412 C  CD2 . PHE A 1 166 ? -30.752 -13.636 -24.791 1.00 11.25 ? 172 PHE B CD2 1 
ATOM   1413 C  CE1 . PHE A 1 166 ? -32.411 -13.690 -26.970 1.00 11.06 ? 172 PHE B CE1 1 
ATOM   1414 C  CE2 . PHE A 1 166 ? -32.140 -13.669 -24.625 1.00 11.10 ? 172 PHE B CE2 1 
ATOM   1415 C  CZ  . PHE A 1 166 ? -32.956 -13.715 -25.715 1.00 11.53 ? 172 PHE B CZ  1 
ATOM   1416 N  N   . PHE A 1 167 ? -29.791 -10.422 -25.784 1.00 9.75  ? 173 PHE B N   1 
ATOM   1417 C  CA  . PHE A 1 167 ? -30.396 -9.400  -24.904 1.00 9.55  ? 173 PHE B CA  1 
ATOM   1418 C  C   . PHE A 1 167 ? -31.919 -9.462  -24.993 1.00 9.94  ? 173 PHE B C   1 
ATOM   1419 O  O   . PHE A 1 167 ? -32.431 -9.536  -26.115 1.00 10.73 ? 173 PHE B O   1 
ATOM   1420 C  CB  . PHE A 1 167 ? -29.941 -7.982  -25.295 1.00 10.71 ? 173 PHE B CB  1 
ATOM   1421 C  CG  . PHE A 1 167 ? -28.437 -7.848  -25.410 1.00 10.51 ? 173 PHE B CG  1 
ATOM   1422 C  CD1 . PHE A 1 167 ? -27.778 -8.151  -26.593 1.00 10.87 ? 173 PHE B CD1 1 
ATOM   1423 C  CD2 . PHE A 1 167 ? -27.666 -7.373  -24.359 1.00 12.44 ? 173 PHE B CD2 1 
ATOM   1424 C  CE1 . PHE A 1 167 ? -26.385 -8.088  -26.716 1.00 10.94 ? 173 PHE B CE1 1 
ATOM   1425 C  CE2 . PHE A 1 167 ? -26.293 -7.242  -24.497 1.00 11.71 ? 173 PHE B CE2 1 
ATOM   1426 C  CZ  . PHE A 1 167 ? -25.655 -7.608  -25.666 1.00 12.48 ? 173 PHE B CZ  1 
ATOM   1427 N  N   . ASN A 1 168 ? -32.572 -9.288  -23.865 1.00 10.78 ? 174 ASN B N   1 
ATOM   1428 C  CA  . ASN A 1 168 ? -34.024 -9.017  -23.816 1.00 9.99  ? 174 ASN B CA  1 
ATOM   1429 C  C   . ASN A 1 168 ? -34.229 -7.867  -22.847 1.00 10.18 ? 174 ASN B C   1 
ATOM   1430 O  O   . ASN A 1 168 ? -33.900 -8.014  -21.674 1.00 10.54 ? 174 ASN B O   1 
ATOM   1431 C  CB  . ASN A 1 168 ? -34.810 -10.269 -23.413 1.00 10.23 ? 174 ASN B CB  1 
ATOM   1432 C  CG  . ASN A 1 168 ? -36.302 -10.104 -23.460 1.00 13.10 ? 174 ASN B CG  1 
ATOM   1433 O  OD1 . ASN A 1 168 ? -36.808 -9.045  -23.765 1.00 13.49 ? 174 ASN B OD1 1 
ATOM   1434 N  ND2 . ASN A 1 168 ? -37.033 -11.180 -23.209 1.00 13.92 ? 174 ASN B ND2 1 
ATOM   1435 N  N   . VAL A 1 169 ? -34.793 -6.743  -23.325 1.00 10.40 ? 175 VAL B N   1 
ATOM   1436 C  CA  . VAL A 1 169 ? -35.049 -5.579  -22.449 1.00 10.92 ? 175 VAL B CA  1 
ATOM   1437 C  C   . VAL A 1 169 ? -36.262 -5.841  -21.538 1.00 11.63 ? 175 VAL B C   1 
ATOM   1438 O  O   . VAL A 1 169 ? -36.487 -5.033  -20.607 1.00 12.64 ? 175 VAL B O   1 
ATOM   1439 C  CB  . VAL A 1 169 ? -35.190 -4.245  -23.215 1.00 12.35 ? 175 VAL B CB  1 
ATOM   1440 C  CG1 . VAL A 1 169 ? -33.913 -3.915  -23.960 1.00 13.69 ? 175 VAL B CG1 1 
ATOM   1441 C  CG2 . VAL A 1 169 ? -36.399 -4.264  -24.149 1.00 12.71 ? 175 VAL B CG2 1 
ATOM   1442 N  N   . GLY A 1 170 ? -37.034 -6.874  -21.841 1.00 11.92 ? 176 GLY B N   1 
ATOM   1443 C  CA  . GLY A 1 170 ? -38.284 -7.162  -21.107 1.00 14.42 ? 176 GLY B CA  1 
ATOM   1444 C  C   . GLY A 1 170 ? -39.454 -6.309  -21.503 1.00 14.64 ? 176 GLY B C   1 
ATOM   1445 O  O   . GLY A 1 170 ? -39.303 -5.242  -22.094 1.00 13.97 ? 176 GLY B O   1 
ATOM   1446 N  N   . PHE A 1 171 ? -40.626 -6.818  -21.090 0.38 15.52 ? 177 PHE B N   1 
ATOM   1447 C  CA  . PHE A 1 171 ? -41.967 -6.199  -21.245 0.38 15.10 ? 177 PHE B CA  1 
ATOM   1448 C  C   . PHE A 1 171 ? -41.998 -4.901  -20.420 0.38 14.72 ? 177 PHE B C   1 
ATOM   1449 O  O   . PHE A 1 171 ? -41.229 -4.827  -19.451 0.38 14.21 ? 177 PHE B O   1 
ATOM   1450 C  CB  . PHE A 1 171 ? -43.063 -7.187  -20.809 0.38 15.14 ? 177 PHE B CB  1 
ATOM   1451 C  CG  . PHE A 1 171 ? -43.063 -8.564  -21.445 0.38 14.97 ? 177 PHE B CG  1 
ATOM   1452 C  CD1 . PHE A 1 171 ? -42.757 -8.738  -22.786 0.38 15.18 ? 177 PHE B CD1 1 
ATOM   1453 C  CD2 . PHE A 1 171 ? -43.448 -9.689  -20.719 0.38 15.82 ? 177 PHE B CD2 1 
ATOM   1454 C  CE1 . PHE A 1 171 ? -42.758 -10.003 -23.358 0.38 15.37 ? 177 PHE B CE1 1 
ATOM   1455 C  CE2 . PHE A 1 171 ? -43.457 -10.955 -21.295 0.38 15.58 ? 177 PHE B CE2 1 
ATOM   1456 C  CZ  . PHE A 1 171 ? -43.144 -11.101 -22.627 0.38 15.39 ? 177 PHE B CZ  1 
ATOM   1457 N  N   . ASN A 1 172 ? -42.829 -3.911  -20.773 1.00 14.58 ? 178 ASN B N   1 
ATOM   1458 C  CA  . ASN A 1 172 ? -43.046 -2.750  -19.878 1.00 12.90 ? 178 ASN B CA  1 
ATOM   1459 C  C   . ASN A 1 172 ? -44.560 -2.581  -19.683 1.00 12.81 ? 178 ASN B C   1 
ATOM   1460 O  O   . ASN A 1 172 ? -45.030 -1.438  -19.751 1.00 14.93 ? 178 ASN B O   1 
ATOM   1461 C  CB  . ASN A 1 172 ? -42.337 -1.508  -20.366 1.00 13.58 ? 178 ASN B CB  1 
ATOM   1462 C  CG  . ASN A 1 172 ? -42.380 -0.378  -19.387 1.00 14.45 ? 178 ASN B CG  1 
ATOM   1463 O  OD1 . ASN A 1 172 ? -42.403 -0.592  -18.172 1.00 13.90 ? 178 ASN B OD1 1 
ATOM   1464 N  ND2 . ASN A 1 172 ? -42.384 0.834   -19.870 1.00 16.77 ? 178 ASN B ND2 1 
ATOM   1465 N  N   . TYR A 1 173 ? -45.240 -3.642  -19.342 1.00 14.26 ? 179 TYR B N   1 
ATOM   1466 C  CA  . TYR A 1 173 ? -46.678 -3.538  -18.949 1.00 12.78 ? 179 TYR B CA  1 
ATOM   1467 C  C   . TYR A 1 173 ? -46.839 -2.671  -17.701 1.00 14.74 ? 179 TYR B C   1 
ATOM   1468 O  O   . TYR A 1 173 ? -47.906 -2.024  -17.540 1.00 16.30 ? 179 TYR B O   1 
ATOM   1469 C  CB  . TYR A 1 173 ? -47.254 -4.933  -18.730 1.00 13.95 ? 179 TYR B CB  1 
ATOM   1470 C  CG  . TYR A 1 173 ? -47.333 -5.806  -19.957 1.00 15.46 ? 179 TYR B CG  1 
ATOM   1471 C  CD1 . TYR A 1 173 ? -48.263 -5.540  -20.948 1.00 19.06 ? 179 TYR B CD1 1 
ATOM   1472 C  CD2 . TYR A 1 173 ? -46.541 -6.939  -20.088 1.00 17.75 ? 179 TYR B CD2 1 
ATOM   1473 C  CE1 . TYR A 1 173 ? -48.345 -6.295  -22.113 1.00 19.33 ? 179 TYR B CE1 1 
ATOM   1474 C  CE2 . TYR A 1 173 ? -46.603 -7.688  -21.260 1.00 18.08 ? 179 TYR B CE2 1 
ATOM   1475 C  CZ  . TYR A 1 173 ? -47.521 -7.396  -22.251 1.00 20.34 ? 179 TYR B CZ  1 
ATOM   1476 O  OH  . TYR A 1 173 ? -47.614 -8.169  -23.405 1.00 24.03 ? 179 TYR B OH  1 
ATOM   1477 N  N   . SER A 1 174 ? -45.904 -2.686  -16.767 1.00 13.58 ? 180 SER B N   1 
ATOM   1478 C  CA  . SER A 1 174 ? -46.005 -2.071  -15.432 1.00 14.04 ? 180 SER B CA  1 
ATOM   1479 C  C   . SER A 1 174 ? -45.713 -0.576  -15.493 1.00 14.08 ? 180 SER B C   1 
ATOM   1480 O  O   . SER A 1 174 ? -45.993 0.121   -14.506 1.00 15.06 ? 180 SER B O   1 
ATOM   1481 C  CB  . SER A 1 174 ? -45.022 -2.691  -14.482 1.00 14.39 ? 180 SER B CB  1 
ATOM   1482 O  OG  . SER A 1 174 ? -43.675 -2.425  -14.907 1.00 15.06 ? 180 SER B OG  1 
ATOM   1483 N  N   . GLY A 1 175 ? -45.042 -0.110  -16.556 1.00 13.54 ? 181 GLY B N   1 
ATOM   1484 C  CA  . GLY A 1 175 ? -44.507 1.255   -16.536 1.00 14.10 ? 181 GLY B CA  1 
ATOM   1485 C  C   . GLY A 1 175 ? -43.272 1.420   -15.682 1.00 14.76 ? 181 GLY B C   1 
ATOM   1486 O  O   . GLY A 1 175 ? -42.773 2.565   -15.559 1.00 17.58 ? 181 GLY B O   1 
ATOM   1487 N  N   . GLY A 1 176 ? -42.748 0.349   -15.085 1.00 14.06 ? 182 GLY B N   1 
ATOM   1488 C  CA  . GLY A 1 176 ? -41.566 0.425   -14.224 1.00 14.22 ? 182 GLY B CA  1 
ATOM   1489 C  C   . GLY A 1 176 ? -40.335 -0.232  -14.868 1.00 13.85 ? 182 GLY B C   1 
ATOM   1490 O  O   . GLY A 1 176 ? -39.288 -0.242  -14.206 1.00 15.34 ? 182 GLY B O   1 
ATOM   1491 N  N   . ASN A 1 177 ? -40.412 -0.625  -16.142 1.00 11.80 ? 183 ASN B N   1 
ATOM   1492 C  CA  . ASN A 1 177 ? -39.302 -1.309  -16.825 1.00 11.66 ? 183 ASN B CA  1 
ATOM   1493 C  C   . ASN A 1 177 ? -38.879 -0.636  -18.128 1.00 11.98 ? 183 ASN B C   1 
ATOM   1494 O  O   . ASN A 1 177 ? -38.324 -1.294  -18.993 1.00 13.01 ? 183 ASN B O   1 
ATOM   1495 C  CB  . ASN A 1 177 ? -39.641 -2.770  -17.130 1.00 11.31 ? 183 ASN B CB  1 
ATOM   1496 C  CG  . ASN A 1 177 ? -38.413 -3.619  -17.382 1.00 11.53 ? 183 ASN B CG  1 
ATOM   1497 O  OD1 . ASN A 1 177 ? -37.373 -3.384  -16.784 1.00 12.73 ? 183 ASN B OD1 1 
ATOM   1498 N  ND2 . ASN A 1 177 ? -38.564 -4.545  -18.308 1.00 11.68 ? 183 ASN B ND2 1 
ATOM   1499 N  N   . ALA A 1 178 ? -38.976 0.682   -18.210 1.00 12.17 ? 184 ALA B N   1 
ATOM   1500 C  CA  . ALA A 1 178 ? -38.590 1.415   -19.441 1.00 13.28 ? 184 ALA B CA  1 
ATOM   1501 C  C   . ALA A 1 178 ? -37.079 1.594   -19.585 1.00 13.49 ? 184 ALA B C   1 
ATOM   1502 O  O   . ALA A 1 178 ? -36.644 1.871   -20.737 1.00 15.44 ? 184 ALA B O   1 
ATOM   1503 C  CB  . ALA A 1 178 ? -39.255 2.803   -19.411 1.00 13.87 ? 184 ALA B CB  1 
ATOM   1504 N  N   . ALA A 1 179 ? -36.316 1.429   -18.513 1.00 13.34 ? 185 ALA B N   1 
ATOM   1505 C  CA  . ALA A 1 179 ? -34.867 1.753   -18.554 1.00 13.17 ? 185 ALA B CA  1 
ATOM   1506 C  C   . ALA A 1 179 ? -34.149 0.873   -19.573 1.00 13.69 ? 185 ALA B C   1 
ATOM   1507 O  O   . ALA A 1 179 ? -34.517 -0.285  -19.813 1.00 13.05 ? 185 ALA B O   1 
ATOM   1508 C  CB  . ALA A 1 179 ? -34.247 1.628   -17.198 1.00 13.25 ? 185 ALA B CB  1 
ATOM   1509 N  N   . PRO A 1 180 ? -33.060 1.391   -20.164 1.00 13.02 ? 186 PRO B N   1 
ATOM   1510 C  CA  . PRO A 1 180 ? -32.314 0.625   -21.165 1.00 13.13 ? 186 PRO B CA  1 
ATOM   1511 C  C   . PRO A 1 180 ? -31.383 -0.465  -20.590 1.00 11.90 ? 186 PRO B C   1 
ATOM   1512 O  O   . PRO A 1 180 ? -31.053 -0.451  -19.406 1.00 12.70 ? 186 PRO B O   1 
ATOM   1513 C  CB  . PRO A 1 180 ? -31.427 1.697   -21.818 1.00 14.22 ? 186 PRO B CB  1 
ATOM   1514 C  CG  . PRO A 1 180 ? -31.213 2.710   -20.761 1.00 16.49 ? 186 PRO B CG  1 
ATOM   1515 C  CD  . PRO A 1 180 ? -32.546 2.766   -20.011 1.00 15.56 ? 186 PRO B CD  1 
ATOM   1516 N  N   . LEU A 1 181 ? -31.029 -1.424  -21.441 1.00 12.35 ? 187 LEU B N   1 
ATOM   1517 C  CA  . LEU A 1 181 ? -29.784 -2.193  -21.270 1.00 11.91 ? 187 LEU B CA  1 
ATOM   1518 C  C   . LEU A 1 181 ? -28.657 -1.358  -21.875 1.00 12.39 ? 187 LEU B C   1 
ATOM   1519 O  O   . LEU A 1 181 ? -28.817 -0.893  -23.044 1.00 14.34 ? 187 LEU B O   1 
ATOM   1520 C  CB  . LEU A 1 181 ? -29.917 -3.558  -21.906 1.00 12.08 ? 187 LEU B CB  1 
ATOM   1521 C  CG  . LEU A 1 181 ? -30.947 -4.522  -21.301 1.00 13.03 ? 187 LEU B CG  1 
ATOM   1522 C  CD1 . LEU A 1 181 ? -31.080 -5.797  -22.133 1.00 13.91 ? 187 LEU B CD1 1 
ATOM   1523 C  CD2 . LEU A 1 181 ? -30.604 -4.887  -19.842 1.00 14.58 ? 187 LEU B CD2 1 
ATOM   1524 N  N   . LYS A 1 182 ? -27.496 -1.319  -21.234 1.00 12.63 ? 188 LYS B N   1 
ATOM   1525 C  CA  . LYS A 1 182 ? -26.325 -0.584  -21.768 1.00 13.70 ? 188 LYS B CA  1 
ATOM   1526 C  C   . LYS A 1 182 ? -25.097 -1.477  -21.744 1.00 13.22 ? 188 LYS B C   1 
ATOM   1527 O  O   . LYS A 1 182 ? -24.751 -1.997  -20.662 1.00 14.13 ? 188 LYS B O   1 
ATOM   1528 C  CB  . LYS A 1 182 ? -26.068 0.718   -21.003 1.00 14.79 ? 188 LYS B CB  1 
ATOM   1529 C  CG  . LYS A 1 182 ? -27.246 1.637   -20.800 1.00 18.80 ? 188 LYS B CG  1 
ATOM   1530 C  CD  . LYS A 1 182 ? -26.793 2.991   -20.230 1.00 23.50 ? 188 LYS B CD  1 
ATOM   1531 C  CE  . LYS A 1 182 ? -27.934 3.859   -19.751 1.00 27.69 ? 188 LYS B CE  1 
ATOM   1532 N  NZ  . LYS A 1 182 ? -27.407 4.992   -18.950 1.00 33.38 ? 188 LYS B NZ  1 
ATOM   1533 N  N   . LEU A 1 183 ? -24.380 -1.546  -22.828 1.00 13.94 ? 189 LEU B N   1 
ATOM   1534 C  CA  . LEU A 1 183 ? -23.036 -2.198  -22.828 1.00 13.59 ? 189 LEU B CA  1 
ATOM   1535 C  C   . LEU A 1 183 ? -22.019 -1.252  -22.187 1.00 15.42 ? 189 LEU B C   1 
ATOM   1536 O  O   . LEU A 1 183 ? -21.889 -0.087  -22.657 1.00 18.83 ? 189 LEU B O   1 
ATOM   1537 C  CB  . LEU A 1 183 ? -22.672 -2.591  -24.260 1.00 13.98 ? 189 LEU B CB  1 
ATOM   1538 C  CG  . LEU A 1 183 ? -23.403 -3.850  -24.715 1.00 15.14 ? 189 LEU B CG  1 
ATOM   1539 C  CD1 . LEU A 1 183 ? -23.621 -3.942  -26.216 1.00 20.20 ? 189 LEU B CD1 1 
ATOM   1540 C  CD2 . LEU A 1 183 ? -22.731 -5.101  -24.159 1.00 13.78 ? 189 LEU B CD2 1 
ATOM   1541 N  N   . CYS A 1 184 ? -21.363 -1.709  -21.110 1.00 16.40 ? 190 CYS B N   1 
ATOM   1542 C  CA  . CYS A 1 184 ? -20.456 -0.862  -20.278 1.00 18.55 ? 190 CYS B CA  1 
ATOM   1543 C  C   . CYS A 1 184 ? -19.090 -0.777  -20.915 1.00 20.56 ? 190 CYS B C   1 
ATOM   1544 O  O   . CYS A 1 184 ? -18.619 -1.713  -21.507 1.00 20.81 ? 190 CYS B O   1 
ATOM   1545 C  CB  . CYS A 1 184 ? -20.177 -1.482  -18.924 1.00 20.77 ? 190 CYS B CB  1 
ATOM   1546 S  SG  . CYS A 1 184 ? -21.633 -1.997  -18.020 1.00 21.86 ? 190 CYS B SG  1 
ATOM   1547 N  N   . PRO A 1 185 ? -18.399 0.373   -20.783 1.00 25.51 ? 191 PRO B N   1 
ATOM   1548 C  CA  . PRO A 1 185 ? -17.082 0.524   -21.369 1.00 30.18 ? 191 PRO B CA  1 
ATOM   1549 C  C   . PRO A 1 185 ? -16.095 -0.404  -20.649 1.00 28.69 ? 191 PRO B C   1 
ATOM   1550 O  O   . PRO A 1 185 ? -16.284 -0.697  -19.471 1.00 30.20 ? 191 PRO B O   1 
ATOM   1551 C  CB  . PRO A 1 185 ? -16.844 2.041   -21.221 1.00 29.66 ? 191 PRO B CB  1 
ATOM   1552 C  CG  . PRO A 1 185 ? -17.642 2.413   -20.005 1.00 31.13 ? 191 PRO B CG  1 
ATOM   1553 C  CD  . PRO A 1 185 ? -18.905 1.591   -20.130 1.00 28.42 ? 191 PRO B CD  1 
ATOM   1554 N  N   . LEU A 1 186 ? -15.129 -0.863  -21.438 1.00 34.54 ? 192 LEU B N   1 
ATOM   1555 C  CA  . LEU A 1 186 ? -13.851 -1.551  -21.115 1.00 39.87 ? 192 LEU B CA  1 
ATOM   1556 C  C   . LEU A 1 186 ? -12.987 -0.676  -20.204 1.00 43.56 ? 192 LEU B C   1 
ATOM   1557 O  O   . LEU A 1 186 ? -12.284 -1.260  -19.372 1.00 47.34 ? 192 LEU B O   1 
ATOM   1558 C  CB  . LEU A 1 186 ? -13.123 -1.781  -22.445 1.00 38.28 ? 192 LEU B CB  1 
HETATM 1559 N  N1  . NTV B 2 .   ? -44.811 -4.471  -25.228 0.38 13.33 ? 401 NTV B N1  1 
HETATM 1560 C  C4  . NTV B 2 .   ? -43.936 -8.379  -26.436 0.38 14.23 ? 401 NTV B C4  1 
HETATM 1561 C  C5  . NTV B 2 .   ? -44.809 -8.154  -25.395 0.38 14.33 ? 401 NTV B C5  1 
HETATM 1562 C  C6  . NTV B 2 .   ? -45.104 -6.860  -25.012 0.38 14.14 ? 401 NTV B C6  1 
HETATM 1563 C  C7  . NTV B 2 .   ? -44.529 -5.788  -25.672 0.38 13.49 ? 401 NTV B C7  1 
HETATM 1564 C  C8  . NTV B 2 .   ? -44.723 -4.025  -23.955 0.38 13.11 ? 401 NTV B C8  1 
HETATM 1565 C  C10 . NTV B 2 .   ? -46.629 -2.845  -22.806 0.38 13.59 ? 401 NTV B C10 1 
HETATM 1566 C  C1  . NTV B 2 .   ? -43.008 -4.814  -27.433 0.38 13.30 ? 401 NTV B C1  1 
HETATM 1567 C  C11 . NTV B 2 .   ? -47.737 -2.791  -23.825 0.38 13.82 ? 401 NTV B C11 1 
HETATM 1568 C  C12 . NTV B 2 .   ? -47.186 -1.805  -24.779 0.38 14.02 ? 401 NTV B C12 1 
HETATM 1569 C  C2  . NTV B 2 .   ? -43.625 -5.981  -26.716 0.38 13.90 ? 401 NTV B C2  1 
HETATM 1570 C  C3  . NTV B 2 .   ? -43.365 -7.296  -27.081 0.38 13.93 ? 401 NTV B C3  1 
HETATM 1571 C  C9  . NTV B 2 .   ? -45.368 -2.709  -23.657 0.38 13.51 ? 401 NTV B C9  1 
HETATM 1572 O  O1  . NTV B 2 .   ? -44.143 -4.625  -23.072 0.38 12.25 ? 401 NTV B O1  1 
HETATM 1573 O  O2  . NTV B 2 .   ? -45.771 -2.036  -24.856 0.38 13.40 ? 401 NTV B O2  1 
HETATM 1574 CL CL1 . NTV B 2 .   ? -42.272 -7.610  -28.392 0.38 15.23 ? 401 NTV B CL1 1 
HETATM 1575 C  C1  . EDO C 3 .   ? -50.401 -17.046 -33.132 1.00 41.29 ? 402 EDO B C1  1 
HETATM 1576 O  O1  . EDO C 3 .   ? -49.153 -16.388 -33.152 1.00 34.09 ? 402 EDO B O1  1 
HETATM 1577 C  C2  . EDO C 3 .   ? -51.012 -16.965 -31.807 1.00 40.78 ? 402 EDO B C2  1 
HETATM 1578 O  O2  . EDO C 3 .   ? -51.251 -15.618 -31.494 1.00 47.40 ? 402 EDO B O2  1 
HETATM 1579 S  S   . SO4 D 4 .   ? -40.446 -24.661 -26.163 1.00 39.72 ? 403 SO4 B S   1 
HETATM 1580 O  O1  . SO4 D 4 .   ? -39.752 -23.689 -26.966 1.00 26.21 ? 403 SO4 B O1  1 
HETATM 1581 O  O2  . SO4 D 4 .   ? -41.333 -25.428 -26.985 1.00 44.81 ? 403 SO4 B O2  1 
HETATM 1582 O  O3  . SO4 D 4 .   ? -39.466 -25.559 -25.573 1.00 46.68 ? 403 SO4 B O3  1 
HETATM 1583 O  O4  . SO4 D 4 .   ? -41.186 -24.016 -25.108 1.00 42.66 ? 403 SO4 B O4  1 
HETATM 1584 O  O   . HOH E 5 .   ? -36.177 5.375   -15.709 1.00 25.52 ? 501 HOH B O   1 
HETATM 1585 O  O   . HOH E 5 .   ? -26.901 -28.466 -27.775 1.00 22.40 ? 502 HOH B O   1 
HETATM 1586 O  O   . HOH E 5 .   ? -22.632 -1.730  -9.829  1.00 26.62 ? 503 HOH B O   1 
HETATM 1587 O  O   . HOH E 5 .   ? -40.161 -1.115  -9.961  1.00 31.41 ? 504 HOH B O   1 
HETATM 1588 O  O   . HOH E 5 .   ? -38.725 -15.288 -11.642 1.00 33.85 ? 505 HOH B O   1 
HETATM 1589 O  O   . HOH E 5 .   ? -44.742 7.568   -24.665 1.00 37.68 ? 506 HOH B O   1 
HETATM 1590 O  O   . HOH E 5 .   ? -38.475 0.629   -12.052 1.00 38.00 ? 507 HOH B O   1 
HETATM 1591 O  O   . HOH E 5 .   ? -29.613 -12.553 -37.671 1.00 24.12 ? 508 HOH B O   1 
HETATM 1592 O  O   . HOH E 5 .   ? -45.603 3.654   -34.229 1.00 20.38 ? 509 HOH B O   1 
HETATM 1593 O  O   . HOH E 5 .   ? -42.410 1.309   -22.873 1.00 35.00 ? 510 HOH B O   1 
HETATM 1594 O  O   . HOH E 5 .   ? -15.504 -5.319  -13.786 1.00 34.58 ? 511 HOH B O   1 
HETATM 1595 O  O   . HOH E 5 .   ? -18.701 -22.016 -35.727 1.00 17.73 ? 512 HOH B O   1 
HETATM 1596 O  O   . HOH E 5 .   ? -13.501 -23.582 -31.539 1.00 16.39 ? 513 HOH B O   1 
HETATM 1597 O  O   . HOH E 5 .   ? -26.281 3.443   -35.273 1.00 33.30 ? 514 HOH B O   1 
HETATM 1598 O  O   . HOH E 5 .   ? -32.980 1.070   -33.524 1.00 20.37 ? 515 HOH B O   1 
HETATM 1599 O  O   . HOH E 5 .   ? -9.458  -18.702 -30.169 1.00 46.52 ? 516 HOH B O   1 
HETATM 1600 O  O   . HOH E 5 .   ? -19.366 -29.710 -15.564 1.00 31.34 ? 517 HOH B O   1 
HETATM 1601 O  O   . HOH E 5 .   ? -35.885 -22.447 -19.501 1.00 25.95 ? 518 HOH B O   1 
HETATM 1602 O  O   . HOH E 5 .   ? -37.923 2.897   -22.821 1.00 20.97 ? 519 HOH B O   1 
HETATM 1603 O  O   . HOH E 5 .   ? -36.926 -16.445 -39.245 1.00 28.56 ? 520 HOH B O   1 
HETATM 1604 O  O   . HOH E 5 .   ? -45.464 0.068   -11.914 1.00 22.48 ? 521 HOH B O   1 
HETATM 1605 O  O   . HOH E 5 .   ? -8.921  -13.439 -25.266 1.00 35.74 ? 522 HOH B O   1 
HETATM 1606 O  O   . HOH E 5 .   ? -30.763 -6.657  -11.277 1.00 14.97 ? 523 HOH B O   1 
HETATM 1607 O  O   . HOH E 5 .   ? -37.268 -25.425 -11.312 1.00 35.14 ? 524 HOH B O   1 
HETATM 1608 O  O   . HOH E 5 .   ? -12.601 -21.228 -18.701 1.00 26.92 ? 525 HOH B O   1 
HETATM 1609 O  O   . HOH E 5 .   ? -36.578 -23.174 -30.763 1.00 32.59 ? 526 HOH B O   1 
HETATM 1610 O  O   . HOH E 5 .   ? -25.952 -22.720 -35.704 1.00 26.22 ? 527 HOH B O   1 
HETATM 1611 O  O   . HOH E 5 .   ? -16.100 -19.523 -15.659 1.00 24.49 ? 528 HOH B O   1 
HETATM 1612 O  O   . HOH E 5 .   ? -24.572 -30.968 -21.938 1.00 34.59 ? 529 HOH B O   1 
HETATM 1613 O  O   . HOH E 5 .   ? -17.509 -27.584 -19.575 1.00 19.52 ? 530 HOH B O   1 
HETATM 1614 O  O   . HOH E 5 .   ? -47.097 -17.064 -31.540 1.00 21.32 ? 531 HOH B O   1 
HETATM 1615 O  O   . HOH E 5 .   ? -36.752 -26.024 -23.666 1.00 37.76 ? 532 HOH B O   1 
HETATM 1616 O  O   . HOH E 5 .   ? -17.535 -21.243 -12.400 1.00 18.58 ? 533 HOH B O   1 
HETATM 1617 O  O   . HOH E 5 .   ? -30.816 -20.351 -21.283 1.00 12.95 ? 534 HOH B O   1 
HETATM 1618 O  O   . HOH E 5 .   ? -38.664 -2.607  -21.334 1.00 14.33 ? 535 HOH B O   1 
HETATM 1619 O  O   . HOH E 5 .   ? -12.890 -18.416 -34.802 1.00 38.22 ? 536 HOH B O   1 
HETATM 1620 O  O   . HOH E 5 .   ? -35.821 -19.443 -30.446 1.00 34.92 ? 537 HOH B O   1 
HETATM 1621 O  O   . HOH E 5 .   ? -30.232 -24.010 -33.866 1.00 24.53 ? 538 HOH B O   1 
HETATM 1622 O  O   . HOH E 5 .   ? -10.859 -21.208 -25.120 1.00 30.11 ? 539 HOH B O   1 
HETATM 1623 O  O   . HOH E 5 .   ? -19.363 -4.273  -22.089 1.00 16.80 ? 540 HOH B O   1 
HETATM 1624 O  O   . HOH E 5 .   ? -23.823 1.224   -10.748 1.00 35.03 ? 541 HOH B O   1 
HETATM 1625 O  O   . HOH E 5 .   ? -45.307 -12.341 -26.494 1.00 34.70 ? 542 HOH B O   1 
HETATM 1626 O  O   . HOH E 5 .   ? -34.158 -22.084 -31.250 1.00 19.36 ? 543 HOH B O   1 
HETATM 1627 O  O   . HOH E 5 .   ? -17.859 -19.867 -37.417 1.00 30.77 ? 544 HOH B O   1 
HETATM 1628 O  O   . HOH E 5 .   ? -38.476 -7.612  -10.714 1.00 16.53 ? 545 HOH B O   1 
HETATM 1629 O  O   . HOH E 5 .   ? -37.788 -14.692 -21.307 1.00 31.96 ? 546 HOH B O   1 
HETATM 1630 O  O   . HOH E 5 .   ? -26.506 -25.715 -16.345 1.00 17.56 ? 547 HOH B O   1 
HETATM 1631 O  O   . HOH E 5 .   ? -42.967 -15.335 -10.117 1.00 22.44 ? 548 HOH B O   1 
HETATM 1632 O  O   . HOH E 5 .   ? -18.477 -4.606  -24.743 1.00 18.28 ? 549 HOH B O   1 
HETATM 1633 O  O   . HOH E 5 .   ? -44.167 0.305   -25.038 1.00 35.94 ? 550 HOH B O   1 
HETATM 1634 O  O   . HOH E 5 .   ? -41.046 -8.856  -19.268 1.00 20.87 ? 551 HOH B O   1 
HETATM 1635 O  O   . HOH E 5 .   ? -26.652 -17.513 -7.733  1.00 17.39 ? 552 HOH B O   1 
HETATM 1636 O  O   . HOH E 5 .   ? -35.545 -4.827  -42.177 1.00 23.03 ? 553 HOH B O   1 
HETATM 1637 O  O   . HOH E 5 .   ? -23.268 4.375   -24.694 1.00 25.20 ? 554 HOH B O   1 
HETATM 1638 O  O   . HOH E 5 .   ? -19.813 1.831   -30.556 1.00 30.89 ? 555 HOH B O   1 
HETATM 1639 O  O   . HOH E 5 .   ? -28.350 -21.534 -8.868  1.00 19.98 ? 556 HOH B O   1 
HETATM 1640 O  O   . HOH E 5 .   ? -40.740 -14.476 -8.440  1.00 28.64 ? 557 HOH B O   1 
HETATM 1641 O  O   . HOH E 5 .   ? -10.207 -23.443 -21.761 1.00 29.92 ? 558 HOH B O   1 
HETATM 1642 O  O   . HOH E 5 .   ? -32.749 -18.313 -37.206 1.00 34.79 ? 559 HOH B O   1 
HETATM 1643 O  O   . HOH E 5 .   ? -13.580 -21.013 -35.212 1.00 31.08 ? 560 HOH B O   1 
HETATM 1644 O  O   . HOH E 5 .   ? -16.596 -5.552  -9.435  1.00 36.32 ? 561 HOH B O   1 
HETATM 1645 O  O   . HOH E 5 .   ? -20.899 -16.277 -5.492  1.00 17.53 ? 562 HOH B O   1 
HETATM 1646 O  O   . HOH E 5 .   ? -36.317 -1.930  -33.843 1.00 22.39 ? 563 HOH B O   1 
HETATM 1647 O  O   . HOH E 5 .   ? -27.117 -20.160 -6.891  1.00 17.93 ? 564 HOH B O   1 
HETATM 1648 O  O   . HOH E 5 .   ? -23.210 2.353   -23.038 1.00 28.45 ? 565 HOH B O   1 
HETATM 1649 O  O   . HOH E 5 .   ? -26.512 1.964   -10.972 1.00 29.67 ? 566 HOH B O   1 
HETATM 1650 O  O   . HOH E 5 .   ? -42.218 -4.071  -39.371 1.00 24.30 ? 567 HOH B O   1 
HETATM 1651 O  O   . HOH E 5 .   ? -49.818 -2.553  -19.532 1.00 32.14 ? 568 HOH B O   1 
HETATM 1652 O  O   . HOH E 5 .   ? -45.020 -7.781  -39.004 1.00 16.93 ? 569 HOH B O   1 
HETATM 1653 O  O   . HOH E 5 .   ? -40.344 -14.434 -31.249 1.00 15.18 ? 570 HOH B O   1 
HETATM 1654 O  O   . HOH E 5 .   ? -30.712 1.208   -17.115 1.00 26.11 ? 571 HOH B O   1 
HETATM 1655 O  O   . HOH E 5 .   ? -34.053 -21.946 -36.373 1.00 44.54 ? 572 HOH B O   1 
HETATM 1656 O  O   . HOH E 5 .   ? -41.060 -9.474  -36.602 1.00 29.66 ? 573 HOH B O   1 
HETATM 1657 O  O   . HOH E 5 .   ? -41.214 5.418   -28.562 1.00 32.30 ? 574 HOH B O   1 
HETATM 1658 O  O   . HOH E 5 .   ? -42.536 -5.879  -12.308 1.00 23.66 ? 575 HOH B O   1 
HETATM 1659 O  O   . HOH E 5 .   ? -17.837 -4.281  -5.986  1.00 38.52 ? 576 HOH B O   1 
HETATM 1660 O  O   . HOH E 5 .   ? -25.351 -14.138 -3.290  1.00 35.56 ? 577 HOH B O   1 
HETATM 1661 O  O   . HOH E 5 .   ? -32.269 -4.969  -12.909 1.00 13.56 ? 578 HOH B O   1 
HETATM 1662 O  O   . HOH E 5 .   ? -45.703 -14.772 -27.440 1.00 38.41 ? 579 HOH B O   1 
HETATM 1663 O  O   . HOH E 5 .   ? -14.568 -16.581 -33.244 1.00 30.09 ? 580 HOH B O   1 
HETATM 1664 O  O   . HOH E 5 .   ? -36.492 -0.998  -22.139 1.00 13.69 ? 581 HOH B O   1 
HETATM 1665 O  O   . HOH E 5 .   ? -20.953 -5.756  -2.219  1.00 40.45 ? 582 HOH B O   1 
HETATM 1666 O  O   . HOH E 5 .   ? -15.056 -19.667 -37.514 1.00 28.74 ? 583 HOH B O   1 
HETATM 1667 O  O   . HOH E 5 .   ? -45.688 -19.752 -31.560 1.00 27.04 ? 584 HOH B O   1 
HETATM 1668 O  O   . HOH E 5 .   ? -19.021 -29.051 -23.368 1.00 26.88 ? 585 HOH B O   1 
HETATM 1669 O  O   . HOH E 5 .   ? -23.933 -12.304 -6.598  1.00 18.52 ? 586 HOH B O   1 
HETATM 1670 O  O   . HOH E 5 .   ? -37.000 0.829   -15.564 1.00 16.62 ? 587 HOH B O   1 
HETATM 1671 O  O   . HOH E 5 .   ? -27.751 -27.595 -25.728 1.00 31.62 ? 588 HOH B O   1 
HETATM 1672 O  O   . HOH E 5 .   ? -45.929 -4.277  -33.973 1.00 23.84 ? 589 HOH B O   1 
HETATM 1673 O  O   . HOH E 5 .   ? -23.773 -21.020 -38.806 1.00 22.80 ? 590 HOH B O   1 
HETATM 1674 O  O   . HOH E 5 .   ? -33.357 -14.849 -6.941  1.00 21.60 ? 591 HOH B O   1 
HETATM 1675 O  O   . HOH E 5 .   ? -25.275 -10.496 -23.555 1.00 14.09 ? 592 HOH B O   1 
HETATM 1676 O  O   . HOH E 5 .   ? -38.536 3.826   -13.543 1.00 36.25 ? 593 HOH B O   1 
HETATM 1677 O  O   . HOH E 5 .   ? -41.124 -8.426  -13.379 1.00 22.53 ? 594 HOH B O   1 
HETATM 1678 O  O   . HOH E 5 .   ? -18.252 -17.322 -36.238 1.00 27.59 ? 595 HOH B O   1 
HETATM 1679 O  O   . HOH E 5 .   ? -9.337  -20.814 -28.902 1.00 42.73 ? 596 HOH B O   1 
HETATM 1680 O  O   . HOH E 5 .   ? -33.494 -1.971  -38.415 1.00 24.48 ? 597 HOH B O   1 
HETATM 1681 O  O   . HOH E 5 .   ? -36.401 -0.496  -42.318 1.00 34.28 ? 598 HOH B O   1 
HETATM 1682 O  O   . HOH E 5 .   ? -24.799 -14.985 -6.830  1.00 16.60 ? 599 HOH B O   1 
HETATM 1683 O  O   . HOH E 5 .   ? -25.743 -26.996 -23.789 1.00 17.49 ? 600 HOH B O   1 
HETATM 1684 O  O   . HOH E 5 .   ? -39.906 -11.554 -22.735 1.00 30.11 ? 601 HOH B O   1 
HETATM 1685 O  O   . HOH E 5 .   ? -31.504 3.442   -26.918 1.00 25.97 ? 602 HOH B O   1 
HETATM 1686 O  O   . HOH E 5 .   ? -28.903 7.749   -30.191 1.00 30.15 ? 603 HOH B O   1 
HETATM 1687 O  O   . HOH E 5 .   ? -41.303 -6.126  -37.861 1.00 36.89 ? 604 HOH B O   1 
HETATM 1688 O  O   . HOH E 5 .   ? -9.226  -16.147 -26.503 1.00 29.76 ? 605 HOH B O   1 
HETATM 1689 O  O   . HOH E 5 .   ? -24.432 -4.378  -36.872 1.00 37.67 ? 606 HOH B O   1 
HETATM 1690 O  O   . HOH E 5 .   ? -42.344 -5.263  -43.686 1.00 21.33 ? 607 HOH B O   1 
HETATM 1691 O  O   . HOH E 5 .   ? -13.255 -6.258  -29.313 1.00 33.94 ? 608 HOH B O   1 
HETATM 1692 O  O   . HOH E 5 .   ? -17.982 -15.957 -6.105  1.00 22.93 ? 609 HOH B O   1 
HETATM 1693 O  O   . HOH E 5 .   ? -24.730 -11.021 -4.207  1.00 24.97 ? 610 HOH B O   1 
HETATM 1694 O  O   . HOH E 5 .   ? -15.970 -11.955 -5.529  1.00 46.42 ? 611 HOH B O   1 
HETATM 1695 O  O   . HOH E 5 .   ? -31.051 4.067   -24.462 1.00 25.21 ? 612 HOH B O   1 
HETATM 1696 O  O   . HOH E 5 .   ? -17.897 -11.171 -35.601 1.00 28.33 ? 613 HOH B O   1 
HETATM 1697 O  O   . HOH E 5 .   ? -30.816 -17.326 -42.727 1.00 36.75 ? 614 HOH B O   1 
HETATM 1698 O  O   . HOH E 5 .   ? -15.990 -14.727 -8.676  1.00 33.41 ? 615 HOH B O   1 
HETATM 1699 O  O   . HOH E 5 .   ? -43.098 3.610   -18.822 1.00 21.93 ? 616 HOH B O   1 
HETATM 1700 O  O   . HOH E 5 .   ? -41.633 -7.578  -3.495  1.00 41.12 ? 617 HOH B O   1 
HETATM 1701 O  O   . HOH E 5 .   ? -40.441 -7.530  -34.707 1.00 21.20 ? 618 HOH B O   1 
HETATM 1702 O  O   . HOH E 5 .   ? -34.241 -7.125  -7.779  1.00 31.71 ? 619 HOH B O   1 
HETATM 1703 O  O   . HOH E 5 .   ? -34.623 -8.922  -6.056  1.00 43.93 ? 620 HOH B O   1 
HETATM 1704 O  O   . HOH E 5 .   ? -40.872 6.370   -33.119 1.00 33.80 ? 621 HOH B O   1 
HETATM 1705 O  O   . HOH E 5 .   ? -52.708 -13.994 -29.143 1.00 45.58 ? 622 HOH B O   1 
HETATM 1706 O  O   . HOH E 5 .   ? -25.281 7.006   -28.913 1.00 29.46 ? 623 HOH B O   1 
HETATM 1707 O  O   . HOH E 5 .   ? -19.824 2.363   -24.053 1.00 36.80 ? 624 HOH B O   1 
HETATM 1708 O  O   . HOH E 5 .   ? -32.815 -23.578 -33.517 1.00 31.66 ? 625 HOH B O   1 
HETATM 1709 O  O   . HOH E 5 .   ? -15.914 -7.268  -11.292 1.00 34.53 ? 626 HOH B O   1 
HETATM 1710 O  O   . HOH E 5 .   ? -47.679 0.000   -32.985 0.50 23.17 ? 627 HOH B O   1 
HETATM 1711 O  O   . HOH E 5 .   ? -36.686 -6.667  -8.847  1.00 31.26 ? 628 HOH B O   1 
HETATM 1712 O  O   . HOH E 5 .   ? -21.756 6.924   -32.273 1.00 35.57 ? 629 HOH B O   1 
HETATM 1713 O  O   . HOH E 5 .   ? -26.213 -28.319 -21.474 1.00 37.30 ? 630 HOH B O   1 
HETATM 1714 O  O   . HOH E 5 .   ? -8.286  -23.086 -30.137 1.00 30.85 ? 631 HOH B O   1 
HETATM 1715 O  O   . HOH E 5 .   ? -39.757 5.200   -21.998 1.00 31.19 ? 632 HOH B O   1 
HETATM 1716 O  O   . HOH E 5 .   ? -41.424 -9.929  -43.742 1.00 39.22 ? 633 HOH B O   1 
HETATM 1717 O  O   . HOH E 5 .   ? -22.799 3.421   -20.696 1.00 38.94 ? 634 HOH B O   1 
HETATM 1718 O  O   . HOH E 5 .   ? -38.848 -16.561 -40.828 1.00 41.49 ? 635 HOH B O   1 
HETATM 1719 O  O   . HOH E 5 .   ? -15.878 -22.200 -14.534 1.00 30.77 ? 636 HOH B O   1 
HETATM 1720 O  O   . HOH E 5 .   ? -28.305 -27.709 -16.757 1.00 26.35 ? 637 HOH B O   1 
HETATM 1721 O  O   . HOH E 5 .   ? -15.820 -26.955 -17.169 1.00 38.04 ? 638 HOH B O   1 
HETATM 1722 O  O   . HOH E 5 .   ? -26.356 -31.255 -23.946 1.00 31.13 ? 639 HOH B O   1 
HETATM 1723 O  O   . HOH E 5 .   ? -41.903 -13.546 -22.293 1.00 51.31 ? 640 HOH B O   1 
# 
