data_7HNX
# 
_entry.id   7HNX 
# 
_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   7HNX         pdb_00007hnx 10.2210/pdb7hnx/pdb 
WWPDB D_1001407711 ?            ?                   
# 
_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                        7HNX 
_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 'N-[(1R)-1-(2-chlorophenyl)ethyl]methanesulfonamide' 233.715   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    144 ?        ? ? ? 
# 
_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 'N-[(1R)-1-(2-chlorophenyl)ethyl]methanesulfonamide' WHP 
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 
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 
WHP non-polymer         . 'N-[(1R)-1-(2-chlorophenyl)ethyl]methanesulfonamide' ?                 'C9 H12 Cl N O2 S' 233.715 
# 
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        WHP 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   WHP 
_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 WHP 1   201 302 WHP LIG B . 
C 3 EDO 1   202 305 EDO EDO B . 
D 4 SO4 1   203 1   SO4 SO4 B . 
E 5 HOH 1   301 2   HOH HOH B . 
E 5 HOH 2   302 4   HOH HOH B . 
E 5 HOH 3   303 29  HOH HOH B . 
E 5 HOH 4   304 11  HOH HOH B . 
E 5 HOH 5   305 40  HOH HOH B . 
E 5 HOH 6   306 12  HOH HOH B . 
E 5 HOH 7   307 5   HOH HOH B . 
E 5 HOH 8   308 26  HOH HOH B . 
E 5 HOH 9   309 33  HOH HOH B . 
E 5 HOH 10  310 1   HOH HOH B . 
E 5 HOH 11  311 21  HOH HOH B . 
E 5 HOH 12  312 27  HOH HOH B . 
E 5 HOH 13  313 63  HOH HOH B . 
E 5 HOH 14  314 66  HOH HOH B . 
E 5 HOH 15  315 9   HOH HOH B . 
E 5 HOH 16  316 90  HOH HOH B . 
E 5 HOH 17  317 16  HOH HOH B . 
E 5 HOH 18  318 80  HOH HOH B . 
E 5 HOH 19  319 31  HOH HOH B . 
E 5 HOH 20  320 51  HOH HOH B . 
E 5 HOH 21  321 211 HOH HOH B . 
E 5 HOH 22  322 99  HOH HOH B . 
E 5 HOH 23  323 25  HOH HOH B . 
E 5 HOH 24  324 81  HOH HOH B . 
E 5 HOH 25  325 95  HOH HOH B . 
E 5 HOH 26  326 100 HOH HOH B . 
E 5 HOH 27  327 10  HOH HOH B . 
E 5 HOH 28  328 11  HOH HOH B . 
E 5 HOH 29  329 34  HOH HOH B . 
E 5 HOH 30  330 267 HOH HOH B . 
E 5 HOH 31  331 102 HOH HOH B . 
E 5 HOH 32  332 18  HOH HOH B . 
E 5 HOH 33  333 39  HOH HOH B . 
E 5 HOH 34  334 16  HOH HOH B . 
E 5 HOH 35  335 19  HOH HOH B . 
E 5 HOH 36  336 68  HOH HOH B . 
E 5 HOH 37  337 129 HOH HOH B . 
E 5 HOH 38  338 2   HOH HOH B . 
E 5 HOH 39  339 70  HOH HOH B . 
E 5 HOH 40  340 62  HOH HOH B . 
E 5 HOH 41  341 157 HOH HOH B . 
E 5 HOH 42  342 7   HOH HOH B . 
E 5 HOH 43  343 28  HOH HOH B . 
E 5 HOH 44  344 29  HOH HOH B . 
E 5 HOH 45  345 93  HOH HOH B . 
E 5 HOH 46  346 72  HOH HOH B . 
E 5 HOH 47  347 58  HOH HOH B . 
E 5 HOH 48  348 36  HOH HOH B . 
E 5 HOH 49  349 22  HOH HOH B . 
E 5 HOH 50  350 20  HOH HOH B . 
E 5 HOH 51  351 10  HOH HOH B . 
E 5 HOH 52  352 125 HOH HOH B . 
E 5 HOH 53  353 50  HOH HOH B . 
E 5 HOH 54  354 26  HOH HOH B . 
E 5 HOH 55  355 86  HOH HOH B . 
E 5 HOH 56  356 89  HOH HOH B . 
E 5 HOH 57  357 73  HOH HOH B . 
E 5 HOH 58  358 85  HOH HOH B . 
E 5 HOH 59  359 126 HOH HOH B . 
E 5 HOH 60  360 55  HOH HOH B . 
E 5 HOH 61  361 6   HOH HOH B . 
E 5 HOH 62  362 47  HOH HOH B . 
E 5 HOH 63  363 27  HOH HOH B . 
E 5 HOH 64  364 4   HOH HOH B . 
E 5 HOH 65  365 76  HOH HOH B . 
E 5 HOH 66  366 14  HOH HOH B . 
E 5 HOH 67  367 3   HOH HOH B . 
E 5 HOH 68  368 59  HOH HOH B . 
E 5 HOH 69  369 15  HOH HOH B . 
E 5 HOH 70  370 1   HOH HOH B . 
E 5 HOH 71  371 116 HOH HOH B . 
E 5 HOH 72  372 71  HOH HOH B . 
E 5 HOH 73  373 61  HOH HOH B . 
E 5 HOH 74  374 3   HOH HOH B . 
E 5 HOH 75  375 64  HOH HOH B . 
E 5 HOH 76  376 24  HOH HOH B . 
E 5 HOH 77  377 43  HOH HOH B . 
E 5 HOH 78  378 172 HOH HOH B . 
E 5 HOH 79  379 304 HOH HOH B . 
E 5 HOH 80  380 13  HOH HOH B . 
E 5 HOH 81  381 137 HOH HOH B . 
E 5 HOH 82  382 45  HOH HOH B . 
E 5 HOH 83  383 8   HOH HOH B . 
E 5 HOH 84  384 32  HOH HOH B . 
E 5 HOH 85  385 25  HOH HOH B . 
E 5 HOH 86  386 281 HOH HOH B . 
E 5 HOH 87  387 60  HOH HOH B . 
E 5 HOH 88  388 46  HOH HOH B . 
E 5 HOH 89  389 303 HOH HOH B . 
E 5 HOH 90  390 18  HOH HOH B . 
E 5 HOH 91  391 107 HOH HOH B . 
E 5 HOH 92  392 23  HOH HOH B . 
E 5 HOH 93  393 17  HOH HOH B . 
E 5 HOH 94  394 97  HOH HOH B . 
E 5 HOH 95  395 48  HOH HOH B . 
E 5 HOH 96  396 214 HOH HOH B . 
E 5 HOH 97  397 42  HOH HOH B . 
E 5 HOH 98  398 49  HOH HOH B . 
E 5 HOH 99  399 56  HOH HOH B . 
E 5 HOH 100 400 8   HOH HOH B . 
E 5 HOH 101 401 12  HOH HOH B . 
E 5 HOH 102 402 82  HOH HOH B . 
E 5 HOH 103 403 30  HOH HOH B . 
E 5 HOH 104 404 112 HOH HOH B . 
E 5 HOH 105 405 54  HOH HOH B . 
E 5 HOH 106 406 5   HOH HOH B . 
E 5 HOH 107 407 57  HOH HOH B . 
E 5 HOH 108 408 7   HOH HOH B . 
E 5 HOH 109 409 20  HOH HOH B . 
E 5 HOH 110 410 32  HOH HOH B . 
E 5 HOH 111 411 120 HOH HOH B . 
E 5 HOH 112 412 38  HOH HOH B . 
E 5 HOH 113 413 22  HOH HOH B . 
E 5 HOH 114 414 33  HOH HOH B . 
E 5 HOH 115 415 140 HOH HOH B . 
E 5 HOH 116 416 41  HOH HOH B . 
E 5 HOH 117 417 257 HOH HOH B . 
E 5 HOH 118 418 15  HOH HOH B . 
E 5 HOH 119 419 154 HOH HOH B . 
E 5 HOH 120 420 53  HOH HOH B . 
E 5 HOH 121 421 263 HOH HOH B . 
E 5 HOH 122 422 103 HOH HOH B . 
E 5 HOH 123 423 19  HOH HOH B . 
E 5 HOH 124 424 69  HOH HOH B . 
E 5 HOH 125 425 156 HOH HOH B . 
E 5 HOH 126 426 197 HOH HOH B . 
E 5 HOH 127 427 114 HOH HOH B . 
E 5 HOH 128 428 44  HOH HOH B . 
E 5 HOH 129 429 30  HOH HOH B . 
E 5 HOH 130 430 266 HOH HOH B . 
E 5 HOH 131 431 133 HOH HOH B . 
E 5 HOH 132 432 115 HOH HOH B . 
E 5 HOH 133 433 23  HOH HOH B . 
E 5 HOH 134 434 13  HOH HOH B . 
E 5 HOH 135 435 21  HOH HOH B . 
E 5 HOH 136 436 98  HOH HOH B . 
E 5 HOH 137 437 104 HOH HOH B . 
E 5 HOH 138 438 166 HOH HOH B . 
E 5 HOH 139 439 205 HOH HOH B . 
E 5 HOH 140 440 127 HOH HOH B . 
E 5 HOH 141 441 14  HOH HOH B . 
E 5 HOH 142 442 131 HOH HOH B . 
E 5 HOH 143 443 270 HOH HOH B . 
E 5 HOH 144 444 259 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           7HNX 
_cell.length_a           95.409 
_cell.length_b           95.409 
_cell.length_c           45.626 
_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                         7HNX 
_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          7HNX 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.40 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.83 
_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                     7HNX 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             41.160 
_reflns.d_resolution_high            1.270 
_reflns.number_obs                   53625 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         99.000 
_reflns.pdbx_Rmerge_I_obs            0.068 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        17.200 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              10.600 
_reflns.pdbx_Rrim_I_all              0.071 
_reflns.pdbx_Rpim_I_all              0.020 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     570366 
_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 1.270 1.290  ? 7018 2374 ? 1.073 ? ? ? 3.000  ? 0.500  ? ? ? ? ? ? 86.900 1.311 0.720 0.309 
1 2 6.840 41.160 ? 4730 380  ? 0.041 ? ? ? 12.400 ? 97.100 ? ? ? ? ? ? 99.600 0.044 0.014 0.985 
# 
_refine.entry_id                                 7HNX 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.2700 
_refine.ls_d_res_low                             41.2000 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    98.9000 
_refine.ls_number_reflns_obs                     50997 
_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                          0.1786 
_refine.ls_R_factor_R_work                       0.1777 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1960 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2604 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               16.6380 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0300 
_refine.aniso_B[2][2]                            0.0300 
_refine.aniso_B[3][3]                            -0.0700 
_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               0.9700 
_refine.correlation_coeff_Fo_to_Fc_free          0.9650 
_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                       0.0490 
_refine.pdbx_overall_ESU_R_Free                  0.0500 
_refine.overall_SU_ML                            0.0420 
_refine.overall_SU_B                             1.0630 
_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                                78.750 
_refine.B_iso_min                                8.820 
_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                       1.2700 
_refine_hist.d_res_low                        41.2000 
_refine_hist.pdbx_number_atoms_ligand         23 
_refine_hist.number_atoms_solvent             144 
_refine_hist.number_atoms_total               1660 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           34.98 
_refine_hist.pdbx_B_iso_mean_solvent          28.14 
_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       2047 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1636 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2565 1.853  1.636  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3773 1.454  1.582  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  7.217  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 110  27.298 21.182 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 288  11.549 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   21.963 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         224  0.089  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2279 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     515  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            967  1.435  1.487  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         961  1.418  1.472  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 2.266  2.219  ? ? 
# 
_refine_ls_shell.d_res_high                       1.2700 
_refine_ls_shell.d_res_low                        1.3030 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               87.7800 
_refine_ls_shell.number_reflns_R_work             3285 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3480 
_refine_ls_shell.R_factor_R_free                  0.3420 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             199 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3484 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HNX 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z133729708' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HNX 
_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              7HNX 
_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 7HNX MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HNX HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HNX HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HNX HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HNX HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HNX HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HNX HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HNX 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       -0.42 
# 
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                   7HNX 
_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 
# 
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  ? ? 70.70   37.03 
2 1 GLN B 78  ? ? 58.74   13.25 
3 1 ASP B 152 ? ? -101.75 52.16 
# 
_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     427 
_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 
PHE N    N  N N 260 
PHE CA   C  N S 261 
PHE C    C  N N 262 
PHE O    O  N N 263 
PHE CB   C  N N 264 
PHE CG   C  Y N 265 
PHE CD1  C  Y N 266 
PHE CD2  C  Y N 267 
PHE CE1  C  Y N 268 
PHE CE2  C  Y N 269 
PHE CZ   C  Y N 270 
PHE OXT  O  N N 271 
PHE H    H  N N 272 
PHE H2   H  N N 273 
PHE HA   H  N N 274 
PHE HB2  H  N N 275 
PHE HB3  H  N N 276 
PHE HD1  H  N N 277 
PHE HD2  H  N N 278 
PHE HE1  H  N N 279 
PHE HE2  H  N N 280 
PHE HZ   H  N N 281 
PHE HXT  H  N N 282 
PRO N    N  N N 283 
PRO CA   C  N S 284 
PRO C    C  N N 285 
PRO O    O  N N 286 
PRO CB   C  N N 287 
PRO CG   C  N N 288 
PRO CD   C  N N 289 
PRO OXT  O  N N 290 
PRO H    H  N N 291 
PRO HA   H  N N 292 
PRO HB2  H  N N 293 
PRO HB3  H  N N 294 
PRO HG2  H  N N 295 
PRO HG3  H  N N 296 
PRO HD2  H  N N 297 
PRO HD3  H  N N 298 
PRO HXT  H  N N 299 
SER N    N  N N 300 
SER CA   C  N S 301 
SER C    C  N N 302 
SER O    O  N N 303 
SER CB   C  N N 304 
SER OG   O  N N 305 
SER OXT  O  N N 306 
SER H    H  N N 307 
SER H2   H  N N 308 
SER HA   H  N N 309 
SER HB2  H  N N 310 
SER HB3  H  N N 311 
SER HG   H  N N 312 
SER HXT  H  N N 313 
SO4 S    S  N N 314 
SO4 O1   O  N N 315 
SO4 O2   O  N N 316 
SO4 O3   O  N N 317 
SO4 O4   O  N N 318 
THR N    N  N N 319 
THR CA   C  N S 320 
THR C    C  N N 321 
THR O    O  N N 322 
THR CB   C  N R 323 
THR OG1  O  N N 324 
THR CG2  C  N N 325 
THR OXT  O  N N 326 
THR H    H  N N 327 
THR H2   H  N N 328 
THR HA   H  N N 329 
THR HB   H  N N 330 
THR HG1  H  N N 331 
THR HG21 H  N N 332 
THR HG22 H  N N 333 
THR HG23 H  N N 334 
THR HXT  H  N N 335 
TRP N    N  N N 336 
TRP CA   C  N S 337 
TRP C    C  N N 338 
TRP O    O  N N 339 
TRP CB   C  N N 340 
TRP CG   C  Y N 341 
TRP CD1  C  Y N 342 
TRP CD2  C  Y N 343 
TRP NE1  N  Y N 344 
TRP CE2  C  Y N 345 
TRP CE3  C  Y N 346 
TRP CZ2  C  Y N 347 
TRP CZ3  C  Y N 348 
TRP CH2  C  Y N 349 
TRP OXT  O  N N 350 
TRP H    H  N N 351 
TRP H2   H  N N 352 
TRP HA   H  N N 353 
TRP HB2  H  N N 354 
TRP HB3  H  N N 355 
TRP HD1  H  N N 356 
TRP HE1  H  N N 357 
TRP HE3  H  N N 358 
TRP HZ2  H  N N 359 
TRP HZ3  H  N N 360 
TRP HH2  H  N N 361 
TRP HXT  H  N N 362 
TYR N    N  N N 363 
TYR CA   C  N S 364 
TYR C    C  N N 365 
TYR O    O  N N 366 
TYR CB   C  N N 367 
TYR CG   C  Y N 368 
TYR CD1  C  Y N 369 
TYR CD2  C  Y N 370 
TYR CE1  C  Y N 371 
TYR CE2  C  Y N 372 
TYR CZ   C  Y N 373 
TYR OH   O  N N 374 
TYR OXT  O  N N 375 
TYR H    H  N N 376 
TYR H2   H  N N 377 
TYR HA   H  N N 378 
TYR HB2  H  N N 379 
TYR HB3  H  N N 380 
TYR HD1  H  N N 381 
TYR HD2  H  N N 382 
TYR HE1  H  N N 383 
TYR HE2  H  N N 384 
TYR HH   H  N N 385 
TYR HXT  H  N N 386 
VAL N    N  N N 387 
VAL CA   C  N S 388 
VAL C    C  N N 389 
VAL O    O  N N 390 
VAL CB   C  N N 391 
VAL CG1  C  N N 392 
VAL CG2  C  N N 393 
VAL OXT  O  N N 394 
VAL H    H  N N 395 
VAL H2   H  N N 396 
VAL HA   H  N N 397 
VAL HB   H  N N 398 
VAL HG11 H  N N 399 
VAL HG12 H  N N 400 
VAL HG13 H  N N 401 
VAL HG21 H  N N 402 
VAL HG22 H  N N 403 
VAL HG23 H  N N 404 
VAL HXT  H  N N 405 
WHP C4   C  Y N 406 
WHP C5   C  Y N 407 
WHP C6   C  Y N 408 
WHP C7   C  Y N 409 
WHP C8   C  Y N 410 
WHP N    N  N N 411 
WHP C    C  N N 412 
WHP O    O  N N 413 
WHP C1   C  N R 414 
WHP C2   C  N N 415 
WHP C3   C  Y N 416 
WHP O1   O  N N 417 
WHP S    S  N N 418 
WHP CL   CL N N 419 
WHP H8   H  N N 420 
WHP H9   H  N N 421 
WHP H10  H  N N 422 
WHP H11  H  N N 423 
WHP H4   H  N N 424 
WHP H    H  N N 425 
WHP H2   H  N N 426 
WHP H1   H  N N 427 
WHP H3   H  N N 428 
WHP H6   H  N N 429 
WHP H5   H  N N 430 
WHP H7   H  N N 431 
# 
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 
PHE N   CA   sing N N 246 
PHE N   H    sing N N 247 
PHE N   H2   sing N N 248 
PHE CA  C    sing N N 249 
PHE CA  CB   sing N N 250 
PHE CA  HA   sing N N 251 
PHE C   O    doub N N 252 
PHE C   OXT  sing N N 253 
PHE CB  CG   sing N N 254 
PHE CB  HB2  sing N N 255 
PHE CB  HB3  sing N N 256 
PHE CG  CD1  doub Y N 257 
PHE CG  CD2  sing Y N 258 
PHE CD1 CE1  sing Y N 259 
PHE CD1 HD1  sing N N 260 
PHE CD2 CE2  doub Y N 261 
PHE CD2 HD2  sing N N 262 
PHE CE1 CZ   doub Y N 263 
PHE CE1 HE1  sing N N 264 
PHE CE2 CZ   sing Y N 265 
PHE CE2 HE2  sing N N 266 
PHE CZ  HZ   sing N N 267 
PHE OXT HXT  sing N N 268 
PRO N   CA   sing N N 269 
PRO N   CD   sing N N 270 
PRO N   H    sing N N 271 
PRO CA  C    sing N N 272 
PRO CA  CB   sing N N 273 
PRO CA  HA   sing N N 274 
PRO C   O    doub N N 275 
PRO C   OXT  sing N N 276 
PRO CB  CG   sing N N 277 
PRO CB  HB2  sing N N 278 
PRO CB  HB3  sing N N 279 
PRO CG  CD   sing N N 280 
PRO CG  HG2  sing N N 281 
PRO CG  HG3  sing N N 282 
PRO CD  HD2  sing N N 283 
PRO CD  HD3  sing N N 284 
PRO OXT HXT  sing N N 285 
SER N   CA   sing N N 286 
SER N   H    sing N N 287 
SER N   H2   sing N N 288 
SER CA  C    sing N N 289 
SER CA  CB   sing N N 290 
SER CA  HA   sing N N 291 
SER C   O    doub N N 292 
SER C   OXT  sing N N 293 
SER CB  OG   sing N N 294 
SER CB  HB2  sing N N 295 
SER CB  HB3  sing N N 296 
SER OG  HG   sing N N 297 
SER OXT HXT  sing N N 298 
SO4 S   O1   doub N N 299 
SO4 S   O2   doub N N 300 
SO4 S   O3   sing N N 301 
SO4 S   O4   sing N N 302 
THR N   CA   sing N N 303 
THR N   H    sing N N 304 
THR N   H2   sing N N 305 
THR CA  C    sing N N 306 
THR CA  CB   sing N N 307 
THR CA  HA   sing N N 308 
THR C   O    doub N N 309 
THR C   OXT  sing N N 310 
THR CB  OG1  sing N N 311 
THR CB  CG2  sing N N 312 
THR CB  HB   sing N N 313 
THR OG1 HG1  sing N N 314 
THR CG2 HG21 sing N N 315 
THR CG2 HG22 sing N N 316 
THR CG2 HG23 sing N N 317 
THR OXT HXT  sing N N 318 
TRP N   CA   sing N N 319 
TRP N   H    sing N N 320 
TRP N   H2   sing N N 321 
TRP CA  C    sing N N 322 
TRP CA  CB   sing N N 323 
TRP CA  HA   sing N N 324 
TRP C   O    doub N N 325 
TRP C   OXT  sing N N 326 
TRP CB  CG   sing N N 327 
TRP CB  HB2  sing N N 328 
TRP CB  HB3  sing N N 329 
TRP CG  CD1  doub Y N 330 
TRP CG  CD2  sing Y N 331 
TRP CD1 NE1  sing Y N 332 
TRP CD1 HD1  sing N N 333 
TRP CD2 CE2  doub Y N 334 
TRP CD2 CE3  sing Y N 335 
TRP NE1 CE2  sing Y N 336 
TRP NE1 HE1  sing N N 337 
TRP CE2 CZ2  sing Y N 338 
TRP CE3 CZ3  doub Y N 339 
TRP CE3 HE3  sing N N 340 
TRP CZ2 CH2  doub Y N 341 
TRP CZ2 HZ2  sing N N 342 
TRP CZ3 CH2  sing Y N 343 
TRP CZ3 HZ3  sing N N 344 
TRP CH2 HH2  sing N N 345 
TRP OXT HXT  sing N N 346 
TYR N   CA   sing N N 347 
TYR N   H    sing N N 348 
TYR N   H2   sing N N 349 
TYR CA  C    sing N N 350 
TYR CA  CB   sing N N 351 
TYR CA  HA   sing N N 352 
TYR C   O    doub N N 353 
TYR C   OXT  sing N N 354 
TYR CB  CG   sing N N 355 
TYR CB  HB2  sing N N 356 
TYR CB  HB3  sing N N 357 
TYR CG  CD1  doub Y N 358 
TYR CG  CD2  sing Y N 359 
TYR CD1 CE1  sing Y N 360 
TYR CD1 HD1  sing N N 361 
TYR CD2 CE2  doub Y N 362 
TYR CD2 HD2  sing N N 363 
TYR CE1 CZ   doub Y N 364 
TYR CE1 HE1  sing N N 365 
TYR CE2 CZ   sing Y N 366 
TYR CE2 HE2  sing N N 367 
TYR CZ  OH   sing N N 368 
TYR OH  HH   sing N N 369 
TYR OXT HXT  sing N N 370 
VAL N   CA   sing N N 371 
VAL N   H    sing N N 372 
VAL N   H2   sing N N 373 
VAL CA  C    sing N N 374 
VAL CA  CB   sing N N 375 
VAL CA  HA   sing N N 376 
VAL C   O    doub N N 377 
VAL C   OXT  sing N N 378 
VAL CB  CG1  sing N N 379 
VAL CB  CG2  sing N N 380 
VAL CB  HB   sing N N 381 
VAL CG1 HG11 sing N N 382 
VAL CG1 HG12 sing N N 383 
VAL CG1 HG13 sing N N 384 
VAL CG2 HG21 sing N N 385 
VAL CG2 HG22 sing N N 386 
VAL CG2 HG23 sing N N 387 
VAL OXT HXT  sing N N 388 
WHP C   C1   sing N N 389 
WHP N   C1   sing N N 390 
WHP S   N    sing N N 391 
WHP O   S    doub N N 392 
WHP O1  S    doub N N 393 
WHP C2  S    sing N N 394 
WHP C1  C3   sing N N 395 
WHP C3  C4   sing Y N 396 
WHP C4  C5   doub Y N 397 
WHP C5  C6   sing Y N 398 
WHP C6  C7   doub Y N 399 
WHP C7  C8   sing Y N 400 
WHP C3  C8   doub Y N 401 
WHP C8  CL   sing N N 402 
WHP C4  H8   sing N N 403 
WHP C5  H9   sing N N 404 
WHP C6  H10  sing N N 405 
WHP C7  H11  sing N N 406 
WHP N   H4   sing N N 407 
WHP C   H    sing N N 408 
WHP C   H2   sing N N 409 
WHP C   H1   sing N N 410 
WHP C1  H3   sing N N 411 
WHP C2  H6   sing N N 412 
WHP C2  H5   sing N N 413 
WHP C2  H7   sing N N 414 
# 
_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                    7HNX 
_atom_sites.fract_transf_matrix[1][1]   0.010481 
_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]   0.010481 
_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]   0.021917 
_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   ? -13.388 -12.850 -9.880  1.00 69.06 ? 8   HIS B N   1 
ATOM   2    C  CA  . HIS A 1 2   ? -12.860 -13.432 -11.164 1.00 62.27 ? 8   HIS B CA  1 
ATOM   3    C  C   . HIS A 1 2   ? -11.731 -12.547 -11.707 1.00 60.44 ? 8   HIS B C   1 
ATOM   4    O  O   . HIS A 1 2   ? -11.660 -11.354 -11.312 1.00 64.24 ? 8   HIS B O   1 
ATOM   5    C  CB  . HIS A 1 2   ? -13.994 -13.608 -12.194 1.00 54.46 ? 8   HIS B CB  1 
ATOM   6    C  CG  . HIS A 1 2   ? -14.538 -12.331 -12.750 1.00 50.63 ? 8   HIS B CG  1 
ATOM   7    N  ND1 . HIS A 1 2   ? -13.995 -11.723 -13.863 1.00 50.68 ? 8   HIS B ND1 1 
ATOM   8    C  CD2 . HIS A 1 2   ? -15.577 -11.551 -12.372 1.00 49.03 ? 8   HIS B CD2 1 
ATOM   9    C  CE1 . HIS A 1 2   ? -14.656 -10.613 -14.128 1.00 49.62 ? 8   HIS B CE1 1 
ATOM   10   N  NE2 . HIS A 1 2   ? -15.634 -10.482 -13.235 1.00 42.50 ? 8   HIS B NE2 1 
ATOM   11   N  N   . HIS A 1 3   ? -10.918 -13.100 -12.610 1.00 54.56 ? 9   HIS B N   1 
ATOM   12   C  CA  . HIS A 1 3   ? -9.806  -12.398 -13.309 1.00 56.86 ? 9   HIS B CA  1 
ATOM   13   C  C   . HIS A 1 3   ? -9.958  -12.552 -14.839 1.00 48.31 ? 9   HIS B C   1 
ATOM   14   O  O   . HIS A 1 3   ? -8.932  -12.748 -15.520 1.00 49.37 ? 9   HIS B O   1 
ATOM   15   C  CB  . HIS A 1 3   ? -8.464  -12.884 -12.716 1.00 65.79 ? 9   HIS B CB  1 
ATOM   16   C  CG  . HIS A 1 3   ? -8.314  -12.579 -11.252 1.00 74.55 ? 9   HIS B CG  1 
ATOM   17   N  ND1 . HIS A 1 3   ? -8.293  -11.278 -10.753 1.00 77.77 ? 9   HIS B ND1 1 
ATOM   18   C  CD2 . HIS A 1 3   ? -8.180  -13.389 -10.175 1.00 78.75 ? 9   HIS B CD2 1 
ATOM   19   C  CE1 . HIS A 1 3   ? -8.158  -11.308 -9.440  1.00 75.91 ? 9   HIS B CE1 1 
ATOM   20   N  NE2 . HIS A 1 3   ? -8.083  -12.591 -9.061  1.00 78.37 ? 9   HIS B NE2 1 
ATOM   21   N  N   . HIS A 1 4   ? -11.193 -12.404 -15.360 1.00 41.40 ? 10  HIS B N   1 
ATOM   22   C  CA  . HIS A 1 4   ? -11.600 -12.628 -16.783 1.00 34.84 ? 10  HIS B CA  1 
ATOM   23   C  C   . HIS A 1 4   ? -11.603 -11.315 -17.573 1.00 33.85 ? 10  HIS B C   1 
ATOM   24   O  O   . HIS A 1 4   ? -11.751 -11.369 -18.805 1.00 29.62 ? 10  HIS B O   1 
ATOM   25   C  CB  . HIS A 1 4   ? -13.014 -13.236 -16.864 1.00 33.02 ? 10  HIS B CB  1 
ATOM   26   C  CG  . HIS A 1 4   ? -13.131 -14.602 -16.280 1.00 33.29 ? 10  HIS B CG  1 
ATOM   27   N  ND1 . HIS A 1 4   ? -12.233 -15.626 -16.583 1.00 31.17 ? 10  HIS B ND1 1 
ATOM   28   C  CD2 . HIS A 1 4   ? -14.062 -15.140 -15.469 1.00 29.80 ? 10  HIS B CD2 1 
ATOM   29   C  CE1 . HIS A 1 4   ? -12.603 -16.726 -15.958 1.00 37.78 ? 10  HIS B CE1 1 
ATOM   30   N  NE2 . HIS A 1 4   ? -13.725 -16.451 -15.273 1.00 35.60 ? 10  HIS B NE2 1 
ATOM   31   N  N   . HIS A 1 5   ? -11.440 -10.180 -16.883 1.00 34.61 ? 11  HIS B N   1 
ATOM   32   C  CA  . HIS A 1 5   ? -11.546 -8.799  -17.433 1.00 38.41 ? 11  HIS B CA  1 
ATOM   33   C  C   . HIS A 1 5   ? -10.674 -8.617  -18.686 1.00 36.41 ? 11  HIS B C   1 
ATOM   34   O  O   . HIS A 1 5   ? -11.154 -7.927  -19.624 1.00 38.31 ? 11  HIS B O   1 
ATOM   35   C  CB  . HIS A 1 5   ? -11.224 -7.749  -16.347 1.00 46.15 ? 11  HIS B CB  1 
ATOM   36   C  CG  . HIS A 1 5   ? -12.053 -7.882  -15.110 1.00 54.92 ? 11  HIS B CG  1 
ATOM   37   N  ND1 . HIS A 1 5   ? -11.619 -8.599  -13.998 1.00 63.60 ? 11  HIS B ND1 1 
ATOM   38   C  CD2 . HIS A 1 5   ? -13.284 -7.411  -14.798 1.00 59.65 ? 11  HIS B CD2 1 
ATOM   39   C  CE1 . HIS A 1 5   ? -12.548 -8.559  -13.056 1.00 64.51 ? 11  HIS B CE1 1 
ATOM   40   N  NE2 . HIS A 1 5   ? -13.585 -7.838  -13.524 1.00 59.91 ? 11  HIS B NE2 1 
ATOM   41   N  N   . HIS A 1 6   ? -9.484  -9.246  -18.750 1.00 34.22 ? 12  HIS B N   1 
ATOM   42   C  CA  . HIS A 1 6   ? -8.506  -9.094  -19.867 1.00 34.03 ? 12  HIS B CA  1 
ATOM   43   C  C   . HIS A 1 6   ? -8.994  -9.738  -21.172 1.00 31.21 ? 12  HIS B C   1 
ATOM   44   O  O   . HIS A 1 6   ? -8.391  -9.474  -22.212 1.00 32.70 ? 12  HIS B O   1 
ATOM   45   C  CB  . HIS A 1 6   ? -7.120  -9.629  -19.465 1.00 40.99 ? 12  HIS B CB  1 
ATOM   46   C  CG  . HIS A 1 6   ? -7.079  -11.086 -19.158 1.00 41.85 ? 12  HIS B CG  1 
ATOM   47   N  ND1 . HIS A 1 6   ? -6.492  -12.004 -20.017 1.00 48.97 ? 12  HIS B ND1 1 
ATOM   48   C  CD2 . HIS A 1 6   ? -7.527  -11.791 -18.095 1.00 45.09 ? 12  HIS B CD2 1 
ATOM   49   C  CE1 . HIS A 1 6   ? -6.586  -13.212 -19.502 1.00 42.56 ? 12  HIS B CE1 1 
ATOM   50   N  NE2 . HIS A 1 6   ? -7.215  -13.113 -18.322 1.00 48.40 ? 12  HIS B NE2 1 
ATOM   51   N  N   . HIS A 1 7   ? -10.068 -10.538 -21.158 1.00 25.18 ? 13  HIS B N   1 
ATOM   52   C  CA  . HIS A 1 7   ? -10.713 -11.100 -22.384 1.00 21.39 ? 13  HIS B CA  1 
ATOM   53   C  C   . HIS A 1 7   ? -11.822 -10.178 -22.861 1.00 19.56 ? 13  HIS B C   1 
ATOM   54   O  O   . HIS A 1 7   ? -12.664 -10.636 -23.642 1.00 17.16 ? 13  HIS B O   1 
ATOM   55   C  CB  . HIS A 1 7   ? -11.274 -12.483 -22.088 1.00 20.39 ? 13  HIS B CB  1 
ATOM   56   C  CG  . HIS A 1 7   ? -10.199 -13.431 -21.682 1.00 22.00 ? 13  HIS B CG  1 
ATOM   57   N  ND1 . HIS A 1 7   ? -9.178  -13.762 -22.557 1.00 22.45 ? 13  HIS B ND1 1 
ATOM   58   C  CD2 . HIS A 1 7   ? -10.023 -14.130 -20.544 1.00 22.87 ? 13  HIS B CD2 1 
ATOM   59   C  CE1 . HIS A 1 7   ? -8.385  -14.621 -21.944 1.00 22.45 ? 13  HIS B CE1 1 
ATOM   60   N  NE2 . HIS A 1 7   ? -8.857  -14.862 -20.715 1.00 24.84 ? 13  HIS B NE2 1 
ATOM   61   N  N   . MET A 1 8   ? -11.840 -8.941  -22.377 1.00 19.77 ? 14  MET B N   1 
ATOM   62   C  CA  . MET A 1 8   ? -12.895 -7.943  -22.706 1.00 22.12 ? 14  MET B CA  1 
ATOM   63   C  C   . MET A 1 8   ? -13.004 -7.789  -24.224 1.00 22.50 ? 14  MET B C   1 
ATOM   64   O  O   . MET A 1 8   ? -11.983 -7.646  -24.946 1.00 24.55 ? 14  MET B O   1 
ATOM   65   C  CB  . MET A 1 8   ? -12.554 -6.584  -22.079 1.00 27.68 ? 14  MET B CB  1 
ATOM   66   C  CG  . MET A 1 8   ? -13.604 -5.486  -22.266 1.00 34.95 ? 14  MET B CG  1 
ATOM   67   S  SD  . MET A 1 8   ? -15.169 -5.728  -21.321 1.00 46.66 ? 14  MET B SD  1 
ATOM   68   C  CE  . MET A 1 8   ? -14.726 -5.062  -19.719 1.00 40.40 ? 14  MET B CE  1 
ATOM   69   N  N   . VAL A 1 9   ? -14.230 -7.780  -24.734 1.00 18.33 ? 15  VAL B N   1 
ATOM   70   C  CA  . VAL A 1 9   ? -14.543 -7.565  -26.172 1.00 19.33 ? 15  VAL B CA  1 
ATOM   71   C  C   . VAL A 1 9   ? -15.533 -6.382  -26.249 1.00 19.42 ? 15  VAL B C   1 
ATOM   72   O  O   . VAL A 1 9   ? -16.388 -6.209  -25.350 1.00 20.26 ? 15  VAL B O   1 
ATOM   73   C  CB  . VAL A 1 9   ? -15.090 -8.817  -26.882 1.00 21.04 ? 15  VAL B CB  1 
ATOM   74   C  CG1 . VAL A 1 9   ? -14.013 -9.865  -27.058 1.00 24.31 ? 15  VAL B CG1 1 
ATOM   75   C  CG2 . VAL A 1 9   ? -16.277 -9.450  -26.192 1.00 21.81 ? 15  VAL B CG2 1 
ATOM   76   N  N   . HIS A 1 10  ? -15.469 -5.625  -27.340 1.00 19.93 ? 16  HIS B N   1 
ATOM   77   C  CA  . HIS A 1 10  ? -16.353 -4.452  -27.550 1.00 19.30 ? 16  HIS B CA  1 
ATOM   78   C  C   . HIS A 1 10  ? -17.586 -4.930  -28.322 1.00 19.76 ? 16  HIS B C   1 
ATOM   79   O  O   . HIS A 1 10  ? -17.486 -5.288  -29.483 1.00 24.01 ? 16  HIS B O   1 
ATOM   80   C  CB  . HIS A 1 10  ? -15.592 -3.353  -28.293 1.00 20.44 ? 16  HIS B CB  1 
ATOM   81   C  CG  . HIS A 1 10  ? -16.368 -2.088  -28.505 1.00 23.71 ? 16  HIS B CG  1 
ATOM   82   N  ND1 . HIS A 1 10  ? -16.509 -1.121  -27.527 1.00 28.15 ? 16  HIS B ND1 1 
ATOM   83   C  CD2 . HIS A 1 10  ? -17.061 -1.652  -29.584 1.00 28.41 ? 16  HIS B CD2 1 
ATOM   84   C  CE1 . HIS A 1 10  ? -17.237 -0.117  -28.001 1.00 25.58 ? 16  HIS B CE1 1 
ATOM   85   N  NE2 . HIS A 1 10  ? -17.608 -0.430  -29.273 1.00 30.97 ? 16  HIS B NE2 1 
ATOM   86   N  N   . ILE A 1 11  ? -18.702 -5.088  -27.626 1.00 16.35 ? 17  ILE B N   1 
ATOM   87   C  CA  . ILE A 1 11  ? -19.929 -5.605  -28.259 1.00 16.16 ? 17  ILE B CA  1 
ATOM   88   C  C   . ILE A 1 11  ? -20.744 -4.397  -28.768 1.00 15.92 ? 17  ILE B C   1 
ATOM   89   O  O   . ILE A 1 11  ? -20.773 -3.360  -28.116 1.00 15.74 ? 17  ILE B O   1 
ATOM   90   C  CB  . ILE A 1 11  ? -20.736 -6.418  -27.228 1.00 15.76 ? 17  ILE B CB  1 
ATOM   91   C  CG1 . ILE A 1 11  ? -19.931 -7.627  -26.721 1.00 16.64 ? 17  ILE B CG1 1 
ATOM   92   C  CG2 . ILE A 1 11  ? -22.092 -6.818  -27.818 1.00 15.51 ? 17  ILE B CG2 1 
ATOM   93   C  CD1 . ILE A 1 11  ? -19.377 -8.580  -27.775 1.00 16.58 ? 17  ILE B CD1 1 
ATOM   94   N  N   . THR A 1 12  ? -21.339 -4.574  -29.916 1.00 14.83 ? 18  THR B N   1 
ATOM   95   C  CA  . THR A 1 12  ? -22.331 -3.613  -30.462 1.00 16.14 ? 18  THR B CA  1 
ATOM   96   C  C   . THR A 1 12  ? -23.591 -4.375  -30.841 1.00 16.32 ? 18  THR B C   1 
ATOM   97   O  O   . THR A 1 12  ? -23.552 -5.609  -31.127 1.00 17.11 ? 18  THR B O   1 
ATOM   98   C  CB  . THR A 1 12  ? -21.755 -2.839  -31.648 1.00 17.96 ? 18  THR B CB  1 
ATOM   99   O  OG1 . THR A 1 12  ? -21.447 -3.727  -32.701 1.00 19.41 ? 18  THR B OG1 1 
ATOM   100  C  CG2 . THR A 1 12  ? -20.556 -1.986  -31.288 1.00 19.94 ? 18  THR B CG2 1 
ATOM   101  N  N   . LEU A 1 13  ? -24.735 -3.676  -30.787 1.00 14.81 ? 19  LEU B N   1 
ATOM   102  C  CA  . LEU A 1 13  ? -26.019 -4.328  -31.092 1.00 15.46 ? 19  LEU B CA  1 
ATOM   103  C  C   . LEU A 1 13  ? -26.298 -4.312  -32.588 1.00 13.93 ? 19  LEU B C   1 
ATOM   104  O  O   . LEU A 1 13  ? -26.004 -3.294  -33.256 1.00 16.37 ? 19  LEU B O   1 
ATOM   105  C  CB  . LEU A 1 13  ? -27.104 -3.605  -30.314 1.00 14.90 ? 19  LEU B CB  1 
ATOM   106  C  CG  . LEU A 1 13  ? -26.892 -3.636  -28.801 1.00 14.59 ? 19  LEU B CG  1 
ATOM   107  C  CD1 . LEU A 1 13  ? -27.889 -2.733  -28.079 1.00 16.35 ? 19  LEU B CD1 1 
ATOM   108  C  CD2 . LEU A 1 13  ? -26.997 -5.071  -28.276 1.00 17.21 ? 19  LEU B CD2 1 
ATOM   109  N  N   . ASP A 1 14  ? -26.933 -5.335  -33.074 1.00 13.40 ? 20  ASP B N   1 
ATOM   110  C  CA  . ASP A 1 14  ? -27.307 -5.535  -34.495 1.00 14.32 ? 20  ASP B CA  1 
ATOM   111  C  C   . ASP A 1 14  ? -28.793 -5.138  -34.670 1.00 14.98 ? 20  ASP B C   1 
ATOM   112  O  O   . ASP A 1 14  ? -29.674 -5.933  -34.359 1.00 13.99 ? 20  ASP B O   1 
ATOM   113  C  CB  . ASP A 1 14  ? -27.012 -6.960  -34.989 1.00 14.58 ? 20  ASP B CB  1 
ATOM   114  C  CG  . ASP A 1 14  ? -27.294 -7.232  -36.456 1.00 19.88 ? 20  ASP B CG  1 
ATOM   115  O  OD1 . ASP A 1 14  ? -27.974 -6.393  -37.074 1.00 19.00 ? 20  ASP B OD1 1 
ATOM   116  O  OD2 . ASP A 1 14  ? -26.963 -8.361  -36.930 1.00 19.72 ? 20  ASP B OD2 1 
ATOM   117  N  N   A ARG A 1 15  ? -29.012 -3.911  -35.172 0.25 15.76 ? 21  ARG B N   1 
ATOM   118  N  N   B ARG A 1 15  ? -29.037 -3.920  -35.173 0.25 16.44 ? 21  ARG B N   1 
ATOM   119  C  CA  A ARG A 1 15  ? -30.339 -3.299  -35.466 0.25 16.69 ? 21  ARG B CA  1 
ATOM   120  C  CA  B ARG A 1 15  ? -30.399 -3.352  -35.371 0.25 17.68 ? 21  ARG B CA  1 
ATOM   121  C  C   A ARG A 1 15  ? -31.246 -4.264  -36.222 0.25 15.77 ? 21  ARG B C   1 
ATOM   122  C  C   B ARG A 1 15  ? -31.268 -4.278  -36.222 0.25 16.42 ? 21  ARG B C   1 
ATOM   123  O  O   A ARG A 1 15  ? -32.468 -4.267  -35.959 0.25 15.24 ? 21  ARG B O   1 
ATOM   124  O  O   B ARG A 1 15  ? -32.496 -4.295  -36.003 0.25 15.64 ? 21  ARG B O   1 
ATOM   125  C  CB  A ARG A 1 15  ? -30.164 -2.054  -36.347 0.25 17.66 ? 21  ARG B CB  1 
ATOM   126  C  CB  B ARG A 1 15  ? -30.316 -1.978  -36.049 0.25 20.03 ? 21  ARG B CB  1 
ATOM   127  C  CG  A ARG A 1 15  ? -29.232 -1.006  -35.761 0.25 19.81 ? 21  ARG B CG  1 
ATOM   128  C  CG  B ARG A 1 15  ? -29.908 -0.850  -35.115 0.25 22.93 ? 21  ARG B CG  1 
ATOM   129  C  CD  A ARG A 1 15  ? -29.215 0.289   -36.565 0.25 20.00 ? 21  ARG B CD  1 
ATOM   130  C  CD  B ARG A 1 15  ? -28.468 -0.411  -35.318 0.25 26.32 ? 21  ARG B CD  1 
ATOM   131  N  NE  A ARG A 1 15  ? -28.729 1.370   -35.728 0.25 20.37 ? 21  ARG B NE  1 
ATOM   132  N  NE  B ARG A 1 15  ? -28.266 0.595   -36.366 0.25 28.43 ? 21  ARG B NE  1 
ATOM   133  C  CZ  A ARG A 1 15  ? -29.459 1.944   -34.793 0.25 19.94 ? 21  ARG B CZ  1 
ATOM   134  C  CZ  B ARG A 1 15  ? -27.770 0.363   -37.582 0.25 31.37 ? 21  ARG B CZ  1 
ATOM   135  N  NH1 A ARG A 1 15  ? -30.711 1.560   -34.634 0.25 20.69 ? 21  ARG B NH1 1 
ATOM   136  N  NH1 B ARG A 1 15  ? -27.421 -0.852  -37.960 0.25 32.89 ? 21  ARG B NH1 1 
ATOM   137  N  NH2 A ARG A 1 15  ? -28.950 2.907   -34.045 0.25 20.57 ? 21  ARG B NH2 1 
ATOM   138  N  NH2 B ARG A 1 15  ? -27.630 1.363   -38.433 0.25 33.54 ? 21  ARG B NH2 1 
ATOM   139  N  N   . ASN A 1 16  ? -30.681 -5.006  -37.174 1.00 15.49 ? 22  ASN B N   1 
ATOM   140  C  CA  . ASN A 1 16  ? -31.463 -5.861  -38.083 1.00 17.35 ? 22  ASN B CA  1 
ATOM   141  C  C   . ASN A 1 16  ? -32.129 -7.020  -37.361 1.00 15.24 ? 22  ASN B C   1 
ATOM   142  O  O   . ASN A 1 16  ? -33.162 -7.505  -37.815 1.00 15.31 ? 22  ASN B O   1 
ATOM   143  C  CB  . ASN A 1 16  ? -30.594 -6.316  -39.256 1.00 20.91 ? 22  ASN B CB  1 
ATOM   144  C  CG  . ASN A 1 16  ? -30.366 -5.187  -40.240 1.00 27.05 ? 22  ASN B CG  1 
ATOM   145  O  OD1 . ASN A 1 16  ? -31.140 -4.237  -40.296 1.00 33.76 ? 22  ASN B OD1 1 
ATOM   146  N  ND2 . ASN A 1 16  ? -29.281 -5.275  -40.982 1.00 38.38 ? 22  ASN B ND2 1 
ATOM   147  N  N   . THR A 1 17  ? -31.599 -7.404  -36.176 1.00 13.32 ? 23  THR B N   1 
ATOM   148  C  CA  . THR A 1 17  ? -32.134 -8.526  -35.395 1.00 12.63 ? 23  THR B CA  1 
ATOM   149  C  C   . THR A 1 17  ? -33.189 -8.035  -34.384 1.00 11.59 ? 23  THR B C   1 
ATOM   150  O  O   . THR A 1 17  ? -33.834 -8.885  -33.759 1.00 12.19 ? 23  THR B O   1 
ATOM   151  C  CB  . THR A 1 17  ? -31.024 -9.292  -34.651 1.00 12.75 ? 23  THR B CB  1 
ATOM   152  O  OG1 . THR A 1 17  ? -30.485 -8.477  -33.606 1.00 13.05 ? 23  THR B OG1 1 
ATOM   153  C  CG2 . THR A 1 17  ? -29.985 -9.850  -35.612 1.00 14.56 ? 23  THR B CG2 1 
ATOM   154  N  N   . ALA A 1 18  ? -33.271 -6.746  -34.161 1.00 12.12 ? 24  ALA B N   1 
ATOM   155  C  CA  . ALA A 1 18  ? -34.097 -6.208  -33.058 1.00 11.84 ? 24  ALA B CA  1 
ATOM   156  C  C   . ALA A 1 18  ? -35.584 -6.404  -33.317 1.00 12.80 ? 24  ALA B C   1 
ATOM   157  O  O   . ALA A 1 18  ? -36.084 -6.128  -34.421 1.00 13.22 ? 24  ALA B O   1 
ATOM   158  C  CB  . ALA A 1 18  ? -33.776 -4.761  -32.885 1.00 12.35 ? 24  ALA B CB  1 
ATOM   159  N  N   . ASN A 1 19  ? -36.325 -6.726  -32.298 1.00 12.25 ? 25  ASN B N   1 
ATOM   160  C  CA  . ASN A 1 19  ? -37.785 -6.520  -32.317 1.00 11.89 ? 25  ASN B CA  1 
ATOM   161  C  C   . ASN A 1 19  ? -38.070 -5.082  -32.756 1.00 11.30 ? 25  ASN B C   1 
ATOM   162  O  O   . ASN A 1 19  ? -37.350 -4.142  -32.423 1.00 11.22 ? 25  ASN B O   1 
ATOM   163  C  CB  . ASN A 1 19  ? -38.310 -6.841  -30.935 1.00 12.46 ? 25  ASN B CB  1 
ATOM   164  C  CG  . ASN A 1 19  ? -39.780 -6.574  -30.835 1.00 14.87 ? 25  ASN B CG  1 
ATOM   165  O  OD1 . ASN A 1 19  ? -40.206 -5.457  -30.585 1.00 14.87 ? 25  ASN B OD1 1 
ATOM   166  N  ND2 . ASN A 1 19  ? -40.539 -7.605  -31.040 1.00 16.77 ? 25  ASN B ND2 1 
ATOM   167  N  N   . SER A 1 20  ? -39.152 -4.913  -33.500 1.00 11.75 ? 26  SER B N   1 
ATOM   168  C  CA  . SER A 1 20  ? -39.499 -3.645  -34.162 1.00 13.26 ? 26  SER B CA  1 
ATOM   169  C  C   . SER A 1 20  ? -39.869 -2.551  -33.167 1.00 12.58 ? 26  SER B C   1 
ATOM   170  O  O   . SER A 1 20  ? -39.950 -1.400  -33.633 1.00 13.31 ? 26  SER B O   1 
ATOM   171  C  CB  . SER A 1 20  ? -40.624 -3.878  -35.150 1.00 14.35 ? 26  SER B CB  1 
ATOM   172  O  OG  . SER A 1 20  ? -41.775 -4.329  -34.455 1.00 16.99 ? 26  SER B OG  1 
ATOM   173  N  N   . TRP A 1 21  ? -40.065 -2.822  -31.888 1.00 11.03 ? 27  TRP B N   1 
ATOM   174  C  CA  . TRP A 1 21  ? -40.362 -1.778  -30.891 1.00 12.30 ? 27  TRP B CA  1 
ATOM   175  C  C   . TRP A 1 21  ? -39.108 -1.281  -30.176 1.00 12.12 ? 27  TRP B C   1 
ATOM   176  O  O   . TRP A 1 21  ? -39.218 -0.366  -29.363 1.00 12.51 ? 27  TRP B O   1 
ATOM   177  C  CB  . TRP A 1 21  ? -41.361 -2.304  -29.895 1.00 12.99 ? 27  TRP B CB  1 
ATOM   178  C  CG  . TRP A 1 21  ? -42.767 -2.415  -30.430 1.00 13.03 ? 27  TRP B CG  1 
ATOM   179  C  CD1 . TRP A 1 21  ? -43.171 -2.935  -31.629 1.00 13.01 ? 27  TRP B CD1 1 
ATOM   180  C  CD2 . TRP A 1 21  ? -43.944 -1.962  -29.760 1.00 15.09 ? 27  TRP B CD2 1 
ATOM   181  N  NE1 . TRP A 1 21  ? -44.545 -2.835  -31.740 1.00 16.31 ? 27  TRP B NE1 1 
ATOM   182  C  CE2 . TRP A 1 21  ? -45.029 -2.315  -30.588 1.00 14.39 ? 27  TRP B CE2 1 
ATOM   183  C  CE3 . TRP A 1 21  ? -44.179 -1.378  -28.510 1.00 16.20 ? 27  TRP B CE3 1 
ATOM   184  C  CZ2 . TRP A 1 21  ? -46.355 -2.008  -30.214 1.00 17.80 ? 27  TRP B CZ2 1 
ATOM   185  C  CZ3 . TRP A 1 21  ? -45.492 -1.104  -28.138 1.00 18.20 ? 27  TRP B CZ3 1 
ATOM   186  C  CH2 . TRP A 1 21  ? -46.548 -1.460  -28.969 1.00 19.12 ? 27  TRP B CH2 1 
ATOM   187  N  N   . LEU A 1 22  ? -37.938 -1.885  -30.471 1.00 11.90 ? 28  LEU B N   1 
ATOM   188  C  CA  . LEU A 1 22  ? -36.720 -1.495  -29.748 1.00 12.06 ? 28  LEU B CA  1 
ATOM   189  C  C   . LEU A 1 22  ? -36.117 -0.218  -30.374 1.00 12.07 ? 28  LEU B C   1 
ATOM   190  O  O   . LEU A 1 22  ? -36.122 -0.036  -31.601 1.00 12.89 ? 28  LEU B O   1 
ATOM   191  C  CB  . LEU A 1 22  ? -35.696 -2.629  -29.746 1.00 10.88 ? 28  LEU B CB  1 
ATOM   192  C  CG  . LEU A 1 22  ? -36.143 -3.871  -29.004 1.00 11.57 ? 28  LEU B CG  1 
ATOM   193  C  CD1 . LEU A 1 22  ? -35.026 -4.899  -28.993 1.00 11.98 ? 28  LEU B CD1 1 
ATOM   194  C  CD2 . LEU A 1 22  ? -36.538 -3.591  -27.584 1.00 12.87 ? 28  LEU B CD2 1 
ATOM   195  N  N   . ILE A 1 23  ? -35.472 0.553   -29.519 1.00 11.86 ? 29  ILE B N   1 
ATOM   196  C  CA  . ILE A 1 23  ? -34.689 1.752   -29.889 1.00 12.95 ? 29  ILE B CA  1 
ATOM   197  C  C   . ILE A 1 23  ? -33.252 1.519   -29.449 1.00 13.51 ? 29  ILE B C   1 
ATOM   198  O  O   . ILE A 1 23  ? -32.980 1.439   -28.236 1.00 13.99 ? 29  ILE B O   1 
ATOM   199  C  CB  . ILE A 1 23  ? -35.250 3.000   -29.261 1.00 13.45 ? 29  ILE B CB  1 
ATOM   200  C  CG1 . ILE A 1 23  ? -36.729 3.250   -29.636 1.00 14.03 ? 29  ILE B CG1 1 
ATOM   201  C  CG2 . ILE A 1 23  ? -34.395 4.236   -29.619 1.00 14.79 ? 29  ILE B CG2 1 
ATOM   202  C  CD1 . ILE A 1 23  ? -37.395 4.337   -28.884 1.00 15.98 ? 29  ILE B CD1 1 
ATOM   203  N  N   . ILE A 1 24  ? -32.394 1.429   -30.445 1.00 16.03 ? 30  ILE B N   1 
ATOM   204  C  CA  . ILE A 1 24  ? -30.937 1.225   -30.247 1.00 15.52 ? 30  ILE B CA  1 
ATOM   205  C  C   . ILE A 1 24  ? -30.247 2.561   -30.429 1.00 17.73 ? 30  ILE B C   1 
ATOM   206  O  O   . ILE A 1 24  ? -30.510 3.283   -31.442 1.00 18.24 ? 30  ILE B O   1 
ATOM   207  C  CB  . ILE A 1 24  ? -30.418 0.160   -31.192 1.00 15.94 ? 30  ILE B CB  1 
ATOM   208  C  CG1 . ILE A 1 24  ? -30.982 -1.219  -30.858 1.00 19.43 ? 30  ILE B CG1 1 
ATOM   209  C  CG2 . ILE A 1 24  ? -28.890 0.100   -31.145 1.00 16.97 ? 30  ILE B CG2 1 
ATOM   210  C  CD1 . ILE A 1 24  ? -30.737 -2.175  -31.855 1.00 22.22 ? 30  ILE B CD1 1 
ATOM   211  N  N   . SER A 1 25  ? -29.366 2.920   -29.525 1.00 16.49 ? 31  SER B N   1 
ATOM   212  C  CA  . SER A 1 25  ? -28.677 4.212   -29.560 1.00 16.03 ? 31  SER B CA  1 
ATOM   213  C  C   . SER A 1 25  ? -27.758 4.281   -30.798 1.00 14.86 ? 31  SER B C   1 
ATOM   214  O  O   . SER A 1 25  ? -27.364 3.290   -31.364 1.00 15.71 ? 31  SER B O   1 
ATOM   215  C  CB  . SER A 1 25  ? -27.969 4.389   -28.256 1.00 17.47 ? 31  SER B CB  1 
ATOM   216  O  OG  . SER A 1 25  ? -26.965 3.391   -28.113 1.00 17.33 ? 31  SER B OG  1 
ATOM   217  N  N   . LYS A 1 26  ? -27.382 5.515   -31.163 1.00 19.34 ? 32  LYS B N   1 
ATOM   218  C  CA  . LYS A 1 26  ? -26.468 5.787   -32.307 1.00 19.34 ? 32  LYS B CA  1 
ATOM   219  C  C   . LYS A 1 26  ? -25.179 4.967   -32.203 1.00 17.23 ? 32  LYS B C   1 
ATOM   220  O  O   . LYS A 1 26  ? -24.713 4.506   -33.241 1.00 20.45 ? 32  LYS B O   1 
ATOM   221  C  CB  . LYS A 1 26  ? -26.134 7.287   -32.295 1.00 22.63 ? 32  LYS B CB  1 
ATOM   222  C  CG  . LYS A 1 26  ? -25.174 7.722   -33.365 1.00 26.27 ? 32  LYS B CG  1 
ATOM   223  C  CD  . LYS A 1 26  ? -25.358 9.190   -33.598 1.00 25.42 ? 32  LYS B CD  1 
ATOM   224  C  CE  . LYS A 1 26  ? -25.265 9.969   -32.313 1.00 29.85 ? 32  LYS B CE  1 
ATOM   225  N  NZ  . LYS A 1 26  ? -25.306 11.406  -32.633 1.00 32.39 ? 32  LYS B NZ  1 
ATOM   226  N  N   . ASP A 1 27  ? -24.618 4.878   -31.000 1.00 17.92 ? 33  ASP B N   1 
ATOM   227  C  CA  . ASP A 1 27  ? -23.330 4.156   -30.771 1.00 17.20 ? 33  ASP B CA  1 
ATOM   228  C  C   . ASP A 1 27  ? -23.549 2.627   -30.750 1.00 16.66 ? 33  ASP B C   1 
ATOM   229  O  O   . ASP A 1 27  ? -22.546 1.888   -30.638 1.00 16.52 ? 33  ASP B O   1 
ATOM   230  C  CB  . ASP A 1 27  ? -22.590 4.648   -29.525 1.00 18.52 ? 33  ASP B CB  1 
ATOM   231  C  CG  . ASP A 1 27  ? -23.261 4.397   -28.187 1.00 18.95 ? 33  ASP B CG  1 
ATOM   232  O  OD1 . ASP A 1 27  ? -24.359 3.748   -28.172 1.00 19.17 ? 33  ASP B OD1 1 
ATOM   233  O  OD2 . ASP A 1 27  ? -22.672 4.833   -27.172 1.00 22.74 ? 33  ASP B OD2 1 
ATOM   234  N  N   . ARG A 1 28  ? -24.769 2.143   -30.878 1.00 15.31 ? 34  ARG B N   1 
ATOM   235  C  CA  . ARG A 1 28  ? -25.124 0.703   -30.862 1.00 14.91 ? 34  ARG B CA  1 
ATOM   236  C  C   . ARG A 1 28  ? -24.682 0.065   -29.531 1.00 13.27 ? 34  ARG B C   1 
ATOM   237  O  O   . ARG A 1 28  ? -24.522 -1.181  -29.519 1.00 14.11 ? 34  ARG B O   1 
ATOM   238  C  CB  . ARG A 1 28  ? -24.615 0.016   -32.132 1.00 19.14 ? 34  ARG B CB  1 
ATOM   239  C  CG  . ARG A 1 28  ? -25.238 0.621   -33.389 1.00 24.57 ? 34  ARG B CG  1 
ATOM   240  C  CD  . ARG A 1 28  ? -24.923 -0.060  -34.680 1.00 32.21 ? 34  ARG B CD  1 
ATOM   241  N  NE  . ARG A 1 28  ? -23.498 -0.242  -34.865 1.00 39.95 ? 34  ARG B NE  1 
ATOM   242  C  CZ  . ARG A 1 28  ? -22.819 -1.405  -34.768 1.00 54.94 ? 34  ARG B CZ  1 
ATOM   243  N  NH1 . ARG A 1 28  ? -23.419 -2.567  -34.489 1.00 48.50 ? 34  ARG B NH1 1 
ATOM   244  N  NH2 . ARG A 1 28  ? -21.508 -1.393  -34.981 1.00 60.77 ? 34  ARG B NH2 1 
ATOM   245  N  N   . ARG A 1 29  ? -24.666 0.800   -28.453 1.00 12.47 ? 35  ARG B N   1 
ATOM   246  C  CA  . ARG A 1 29  ? -24.274 0.269   -27.133 1.00 14.33 ? 35  ARG B CA  1 
ATOM   247  C  C   . ARG A 1 29  ? -25.421 0.275   -26.133 1.00 13.63 ? 35  ARG B C   1 
ATOM   248  O  O   . ARG A 1 29  ? -25.251 -0.298  -25.040 1.00 14.85 ? 35  ARG B O   1 
ATOM   249  C  CB  . ARG A 1 29  ? -23.090 1.034   -26.547 1.00 15.18 ? 35  ARG B CB  1 
ATOM   250  C  CG  . ARG A 1 29  ? -21.869 0.923   -27.446 1.00 18.05 ? 35  ARG B CG  1 
ATOM   251  C  CD  . ARG A 1 29  ? -21.011 -0.273  -27.212 1.00 18.63 ? 35  ARG B CD  1 
ATOM   252  N  NE  . ARG A 1 29  ? -20.250 -0.074  -25.985 1.00 19.63 ? 35  ARG B NE  1 
ATOM   253  C  CZ  . ARG A 1 29  ? -19.509 -1.021  -25.387 1.00 19.18 ? 35  ARG B CZ  1 
ATOM   254  N  NH1 . ARG A 1 29  ? -19.443 -2.210  -25.913 1.00 19.42 ? 35  ARG B NH1 1 
ATOM   255  N  NH2 . ARG A 1 29  ? -18.863 -0.742  -24.274 1.00 20.33 ? 35  ARG B NH2 1 
ATOM   256  N  N   . GLN A 1 30  ? -26.583 0.856   -26.434 1.00 12.65 ? 36  GLN B N   1 
ATOM   257  C  CA  . GLN A 1 30  ? -27.739 0.906   -25.528 1.00 13.56 ? 36  GLN B CA  1 
ATOM   258  C  C   . GLN A 1 30  ? -29.013 0.522   -26.277 1.00 12.52 ? 36  GLN B C   1 
ATOM   259  O  O   . GLN A 1 30  ? -29.115 0.747   -27.500 1.00 13.15 ? 36  GLN B O   1 
ATOM   260  C  CB  . GLN A 1 30  ? -27.954 2.297   -24.931 1.00 15.78 ? 36  GLN B CB  1 
ATOM   261  C  CG  . GLN A 1 30  ? -26.703 2.896   -24.347 1.00 18.77 ? 36  GLN B CG  1 
ATOM   262  C  CD  . GLN A 1 30  ? -27.048 4.129   -23.538 1.00 22.52 ? 36  GLN B CD  1 
ATOM   263  O  OE1 . GLN A 1 30  ? -28.195 4.369   -23.144 1.00 25.69 ? 36  GLN B OE1 1 
ATOM   264  N  NE2 . GLN A 1 30  ? -26.051 4.940   -23.300 1.00 26.85 ? 36  GLN B NE2 1 
ATOM   265  N  N   . VAL A 1 31  ? -29.939 -0.104  -25.581 1.00 12.27 ? 37  VAL B N   1 
ATOM   266  C  CA  . VAL A 1 31  ? -31.235 -0.501  -26.177 1.00 11.89 ? 37  VAL B CA  1 
ATOM   267  C  C   . VAL A 1 31  ? -32.317 -0.344  -25.126 1.00 11.49 ? 37  VAL B C   1 
ATOM   268  O  O   . VAL A 1 31  ? -32.108 -0.704  -23.966 1.00 11.53 ? 37  VAL B O   1 
ATOM   269  C  CB  . VAL A 1 31  ? -31.177 -1.902  -26.797 1.00 11.56 ? 37  VAL B CB  1 
ATOM   270  C  CG1 . VAL A 1 31  ? -30.755 -2.995  -25.786 1.00 11.21 ? 37  VAL B CG1 1 
ATOM   271  C  CG2 . VAL A 1 31  ? -32.505 -2.267  -27.443 1.00 12.91 ? 37  VAL B CG2 1 
ATOM   272  N  N   . ARG A 1 32  ? -33.473 0.157   -25.537 1.00 12.15 ? 38  ARG B N   1 
ATOM   273  C  CA  . ARG A 1 32  ? -34.646 0.245   -24.653 1.00 12.50 ? 38  ARG B CA  1 
ATOM   274  C  C   . ARG A 1 32  ? -35.909 -0.048  -25.469 1.00 11.82 ? 38  ARG B C   1 
ATOM   275  O  O   . ARG A 1 32  ? -35.910 0.019   -26.705 1.00 11.51 ? 38  ARG B O   1 
ATOM   276  C  CB  . ARG A 1 32  ? -34.749 1.615   -23.982 1.00 14.23 ? 38  ARG B CB  1 
ATOM   277  C  CG  . ARG A 1 32  ? -35.068 2.738   -24.951 1.00 16.67 ? 38  ARG B CG  1 
ATOM   278  C  CD  . ARG A 1 32  ? -34.944 4.083   -24.226 1.00 19.92 ? 38  ARG B CD  1 
ATOM   279  N  NE  . ARG A 1 32  ? -35.187 5.186   -25.133 1.00 23.74 ? 38  ARG B NE  1 
ATOM   280  C  CZ  . ARG A 1 32  ? -36.371 5.690   -25.420 1.00 20.58 ? 38  ARG B CZ  1 
ATOM   281  N  NH1 . ARG A 1 32  ? -37.468 5.194   -24.905 1.00 23.32 ? 38  ARG B NH1 1 
ATOM   282  N  NH2 . ARG A 1 32  ? -36.440 6.722   -26.272 1.00 26.89 ? 38  ARG B NH2 1 
ATOM   283  N  N   . MET A 1 33  ? -36.964 -0.349  -24.713 0.30 12.11 ? 39  MET B N   1 
ATOM   284  C  CA  . MET A 1 33  ? -38.347 -0.494  -25.218 0.30 12.50 ? 39  MET B CA  1 
ATOM   285  C  C   . MET A 1 33  ? -38.863 0.871   -25.678 0.30 12.83 ? 39  MET B C   1 
ATOM   286  O  O   . MET A 1 33  ? -38.742 1.883   -24.951 0.30 11.49 ? 39  MET B O   1 
ATOM   287  C  CB  . MET A 1 33  ? -39.260 -1.053  -24.127 0.30 12.36 ? 39  MET B CB  1 
ATOM   288  C  CG  . MET A 1 33  ? -40.726 -1.121  -24.535 0.30 12.22 ? 39  MET B CG  1 
ATOM   289  S  SD  . MET A 1 33  ? -41.026 -2.214  -25.960 0.30 12.78 ? 39  MET B SD  1 
ATOM   290  C  CE  . MET A 1 33  ? -41.099 -3.810  -25.155 0.30 13.04 ? 39  MET B CE  1 
ATOM   291  N  N   . GLY A 1 34  ? -39.375 0.911   -26.891 1.00 13.90 ? 40  GLY B N   1 
ATOM   292  C  CA  . GLY A 1 34  ? -40.186 2.076   -27.304 1.00 15.96 ? 40  GLY B CA  1 
ATOM   293  C  C   . GLY A 1 34  ? -41.634 1.911   -26.884 1.00 17.72 ? 40  GLY B C   1 
ATOM   294  O  O   . GLY A 1 34  ? -42.055 0.810   -26.468 1.00 16.69 ? 40  GLY B O   1 
ATOM   295  N  N   . ASP A 1 35  ? -42.415 3.014   -26.957 1.00 21.28 ? 41  ASP B N   1 
ATOM   296  C  CA  . ASP A 1 35  ? -43.851 2.899   -26.533 1.00 24.02 ? 41  ASP B CA  1 
ATOM   297  C  C   . ASP A 1 35  ? -44.704 2.523   -27.774 1.00 22.17 ? 41  ASP B C   1 
ATOM   298  O  O   . ASP A 1 35  ? -45.928 2.299   -27.605 1.00 22.48 ? 41  ASP B O   1 
ATOM   299  C  CB  . ASP A 1 35  ? -44.343 4.121   -25.720 1.00 29.42 ? 41  ASP B CB  1 
ATOM   300  C  CG  . ASP A 1 35  ? -43.882 4.219   -24.244 1.00 37.91 ? 41  ASP B CG  1 
ATOM   301  O  OD1 . ASP A 1 35  ? -43.767 3.172   -23.544 1.00 37.91 ? 41  ASP B OD1 1 
ATOM   302  O  OD2 . ASP A 1 35  ? -43.695 5.353   -23.755 1.00 38.14 ? 41  ASP B OD2 1 
ATOM   303  N  N   . THR A 1 36  ? -44.083 2.316   -28.931 1.00 17.84 ? 42  THR B N   1 
ATOM   304  C  CA  . THR A 1 36  ? -44.770 1.911   -30.205 1.00 17.75 ? 42  THR B CA  1 
ATOM   305  C  C   . THR A 1 36  ? -43.805 1.222   -31.174 1.00 15.77 ? 42  THR B C   1 
ATOM   306  O  O   . THR A 1 36  ? -42.520 1.201   -30.985 1.00 14.16 ? 42  THR B O   1 
ATOM   307  C  CB  . THR A 1 36  ? -45.386 3.169   -30.826 1.00 18.48 ? 42  THR B CB  1 
ATOM   308  O  OG1 . THR A 1 36  ? -46.254 2.826   -31.888 1.00 22.73 ? 42  THR B OG1 1 
ATOM   309  C  CG2 . THR A 1 36  ? -44.324 4.070   -31.410 1.00 20.37 ? 42  THR B CG2 1 
ATOM   310  N  N   . HIS A 1 37  ? -44.293 0.733   -32.312 1.00 15.41 ? 43  HIS B N   1 
ATOM   311  C  CA  . HIS A 1 37  ? -43.461 0.269   -33.453 1.00 14.85 ? 43  HIS B CA  1 
ATOM   312  C  C   . HIS A 1 37  ? -42.510 1.374   -33.881 1.00 16.05 ? 43  HIS B C   1 
ATOM   313  O  O   . HIS A 1 37  ? -43.006 2.541   -34.074 1.00 16.64 ? 43  HIS B O   1 
ATOM   314  C  CB  . HIS A 1 37  ? -44.406 -0.234  -34.561 1.00 14.11 ? 43  HIS B CB  1 
ATOM   315  C  CG  . HIS A 1 37  ? -43.794 -0.859  -35.750 1.00 14.07 ? 43  HIS B CG  1 
ATOM   316  N  ND1 . HIS A 1 37  ? -43.010 -0.200  -36.661 1.00 13.83 ? 43  HIS B ND1 1 
ATOM   317  C  CD2 . HIS A 1 37  ? -43.896 -2.137  -36.194 1.00 13.34 ? 43  HIS B CD2 1 
ATOM   318  C  CE1 . HIS A 1 37  ? -42.657 -1.021  -37.620 1.00 13.96 ? 43  HIS B CE1 1 
ATOM   319  N  NE2 . HIS A 1 37  ? -43.213 -2.263  -37.365 1.00 13.66 ? 43  HIS B NE2 1 
ATOM   320  N  N   . GLN A 1 38  ? -41.237 1.059   -34.131 1.00 14.09 ? 44  GLN B N   1 
ATOM   321  C  CA  . GLN A 1 38  ? -40.213 2.082   -34.403 1.00 13.36 ? 44  GLN B CA  1 
ATOM   322  C  C   . GLN A 1 38  ? -40.026 2.323   -35.908 1.00 15.28 ? 44  GLN B C   1 
ATOM   323  O  O   . GLN A 1 38  ? -38.992 2.922   -36.319 1.00 16.01 ? 44  GLN B O   1 
ATOM   324  C  CB  . GLN A 1 38  ? -38.914 1.713   -33.674 1.00 13.28 ? 44  GLN B CB  1 
ATOM   325  C  CG  . GLN A 1 38  ? -39.082 1.788   -32.195 1.00 14.05 ? 44  GLN B CG  1 
ATOM   326  C  CD  . GLN A 1 38  ? -39.571 3.117   -31.686 1.00 13.91 ? 44  GLN B CD  1 
ATOM   327  O  OE1 . GLN A 1 38  ? -40.535 3.258   -30.929 1.00 17.88 ? 44  GLN B OE1 1 
ATOM   328  N  NE2 . GLN A 1 38  ? -38.949 4.179   -32.152 1.00 13.38 ? 44  GLN B NE2 1 
ATOM   329  N  N   . ASN A 1 39  ? -40.993 1.935   -36.742 1.00 14.66 ? 45  ASN B N   1 
ATOM   330  C  CA  . ASN A 1 39  ? -41.073 2.413   -38.151 1.00 13.86 ? 45  ASN B CA  1 
ATOM   331  C  C   . ASN A 1 39  ? -39.976 1.828   -39.014 1.00 15.03 ? 45  ASN B C   1 
ATOM   332  O  O   . ASN A 1 39  ? -39.530 2.426   -40.022 1.00 16.91 ? 45  ASN B O   1 
ATOM   333  C  CB  . ASN A 1 39  ? -41.103 3.962   -38.237 1.00 14.88 ? 45  ASN B CB  1 
ATOM   334  C  CG  . ASN A 1 39  ? -41.771 4.436   -39.525 1.00 14.92 ? 45  ASN B CG  1 
ATOM   335  O  OD1 . ASN A 1 39  ? -42.635 3.764   -40.087 1.00 13.90 ? 45  ASN B OD1 1 
ATOM   336  N  ND2 . ASN A 1 39  ? -41.332 5.591   -40.043 1.00 14.05 ? 45  ASN B ND2 1 
ATOM   337  N  N   . VAL A 1 40  ? -39.642 0.565   -38.759 1.00 16.93 ? 46  VAL B N   1 
ATOM   338  C  CA  . VAL A 1 40  ? -38.665 -0.238  -39.535 1.00 17.53 ? 46  VAL B CA  1 
ATOM   339  C  C   . VAL A 1 40  ? -39.428 -1.287  -40.372 1.00 16.45 ? 46  VAL B C   1 
ATOM   340  O  O   . VAL A 1 40  ? -40.490 -1.728  -39.921 1.00 17.12 ? 46  VAL B O   1 
ATOM   341  C  CB  . VAL A 1 40  ? -37.636 -0.918  -38.598 1.00 18.64 ? 46  VAL B CB  1 
ATOM   342  C  CG1 . VAL A 1 40  ? -36.728 0.114   -37.931 1.00 21.93 ? 46  VAL B CG1 1 
ATOM   343  C  CG2 . VAL A 1 40  ? -38.275 -1.795  -37.541 1.00 19.71 ? 46  VAL B CG2 1 
ATOM   344  N  N   . SER A 1 41  ? -38.871 -1.736  -41.497 1.00 17.05 ? 47  SER B N   1 
ATOM   345  C  CA  . SER A 1 41  ? -39.397 -2.894  -42.242 1.00 18.19 ? 47  SER B CA  1 
ATOM   346  C  C   . SER A 1 41  ? -39.204 -4.183  -41.459 1.00 17.83 ? 47  SER B C   1 
ATOM   347  O  O   . SER A 1 41  ? -38.258 -4.293  -40.670 1.00 16.92 ? 47  SER B O   1 
ATOM   348  C  CB  . SER A 1 41  ? -38.753 -2.995  -43.609 1.00 20.64 ? 47  SER B CB  1 
ATOM   349  O  OG  . SER A 1 41  ? -37.340 -3.117  -43.478 1.00 23.30 ? 47  SER B OG  1 
ATOM   350  N  N   . ASP A 1 42  ? -40.031 -5.172  -41.701 1.00 17.69 ? 48  ASP B N   1 
ATOM   351  C  CA  . ASP A 1 42  ? -39.873 -6.510  -41.118 1.00 17.72 ? 48  ASP B CA  1 
ATOM   352  C  C   . ASP A 1 42  ? -38.804 -7.256  -41.911 1.00 19.02 ? 48  ASP B C   1 
ATOM   353  O  O   . ASP A 1 42  ? -38.568 -6.943  -43.107 1.00 18.86 ? 48  ASP B O   1 
ATOM   354  C  CB  . ASP A 1 42  ? -41.200 -7.241  -41.094 1.00 18.82 ? 48  ASP B CB  1 
ATOM   355  C  CG  . ASP A 1 42  ? -41.130 -8.482  -40.245 1.00 24.57 ? 48  ASP B CG  1 
ATOM   356  O  OD1 . ASP A 1 42  ? -40.385 -8.485  -39.174 1.00 17.69 ? 48  ASP B OD1 1 
ATOM   357  O  OD2 . ASP A 1 42  ? -41.641 -9.499  -40.780 1.00 33.22 ? 48  ASP B OD2 1 
ATOM   358  N  N   . ASN A 1 43  ? -38.203 -8.275  -41.283 1.00 16.92 ? 49  ASN B N   1 
ATOM   359  C  CA  . ASN A 1 43  ? -37.218 -9.155  -41.955 1.00 18.56 ? 49  ASN B CA  1 
ATOM   360  C  C   . ASN A 1 43  ? -37.174 -10.460 -41.166 1.00 18.32 ? 49  ASN B C   1 
ATOM   361  O  O   . ASN A 1 43  ? -37.776 -10.547 -40.074 1.00 17.88 ? 49  ASN B O   1 
ATOM   362  C  CB  . ASN A 1 43  ? -35.873 -8.482  -42.133 1.00 17.54 ? 49  ASN B CB  1 
ATOM   363  C  CG  . ASN A 1 43  ? -35.143 -8.285  -40.815 1.00 17.66 ? 49  ASN B CG  1 
ATOM   364  O  OD1 . ASN A 1 43  ? -34.982 -9.236  -40.061 1.00 19.62 ? 49  ASN B OD1 1 
ATOM   365  N  ND2 . ASN A 1 43  ? -34.718 -7.108  -40.527 1.00 16.58 ? 49  ASN B ND2 1 
ATOM   366  N  N   . LYS A 1 44  ? -36.517 -11.460 -41.708 1.00 19.11 ? 50  LYS B N   1 
ATOM   367  C  CA  . LYS A 1 44  ? -36.555 -12.826 -41.136 1.00 20.68 ? 50  LYS B CA  1 
ATOM   368  C  C   . LYS A 1 44  ? -35.673 -12.899 -39.866 1.00 16.99 ? 50  LYS B C   1 
ATOM   369  O  O   . LYS A 1 44  ? -35.857 -13.863 -39.100 1.00 18.28 ? 50  LYS B O   1 
ATOM   370  C  CB  . LYS A 1 44  ? -36.049 -13.842 -42.174 1.00 23.73 ? 50  LYS B CB  1 
ATOM   371  C  CG  . LYS A 1 44  ? -34.607 -13.646 -42.583 1.00 29.06 ? 50  LYS B CG  1 
ATOM   372  C  CD  . LYS A 1 44  ? -34.091 -14.640 -43.625 1.00 39.96 ? 50  LYS B CD  1 
ATOM   373  C  CE  . LYS A 1 44  ? -32.587 -14.531 -43.770 1.00 43.61 ? 50  LYS B CE  1 
ATOM   374  N  NZ  . LYS A 1 44  ? -32.111 -15.134 -45.041 1.00 51.07 ? 50  LYS B NZ  1 
ATOM   375  N  N   . GLU A 1 45  ? -34.788 -11.925 -39.678 1.00 16.69 ? 51  GLU B N   1 
ATOM   376  C  CA  . GLU A 1 45  ? -33.876 -11.912 -38.484 1.00 16.47 ? 51  GLU B CA  1 
ATOM   377  C  C   . GLU A 1 45  ? -34.607 -11.407 -37.225 1.00 16.04 ? 51  GLU B C   1 
ATOM   378  O  O   . GLU A 1 45  ? -34.187 -11.758 -36.091 1.00 17.10 ? 51  GLU B O   1 
ATOM   379  C  CB  . GLU A 1 45  ? -32.650 -11.064 -38.732 1.00 18.91 ? 51  GLU B CB  1 
ATOM   380  C  CG  . GLU A 1 45  ? -31.794 -11.491 -39.923 1.00 23.28 ? 51  GLU B CG  1 
ATOM   381  C  CD  . GLU A 1 45  ? -30.624 -10.528 -40.082 1.00 29.35 ? 51  GLU B CD  1 
ATOM   382  O  OE1 . GLU A 1 45  ? -30.639 -9.716  -41.059 1.00 35.41 ? 51  GLU B OE1 1 
ATOM   383  O  OE2 . GLU A 1 45  ? -29.719 -10.502 -39.212 1.00 32.16 ? 51  GLU B OE2 1 
ATOM   384  N  N   . ARG A 1 46  ? -35.650 -10.577 -37.328 1.00 14.85 ? 52  ARG B N   1 
ATOM   385  C  CA  . ARG A 1 46  ? -36.153 -9.854  -36.140 1.00 14.12 ? 52  ARG B CA  1 
ATOM   386  C  C   . ARG A 1 46  ? -36.864 -10.799 -35.206 1.00 13.43 ? 52  ARG B C   1 
ATOM   387  O  O   . ARG A 1 46  ? -37.735 -11.605 -35.611 1.00 14.37 ? 52  ARG B O   1 
ATOM   388  C  CB  . ARG A 1 46  ? -37.141 -8.754  -36.557 1.00 12.71 ? 52  ARG B CB  1 
ATOM   389  C  CG  . ARG A 1 46  ? -36.547 -7.637  -37.367 1.00 13.96 ? 52  ARG B CG  1 
ATOM   390  C  CD  . ARG A 1 46  ? -37.492 -6.414  -37.331 1.00 13.59 ? 52  ARG B CD  1 
ATOM   391  N  NE  . ARG A 1 46  ? -36.991 -5.386  -38.217 1.00 15.36 ? 52  ARG B NE  1 
ATOM   392  C  CZ  . ARG A 1 46  ? -35.892 -4.663  -38.010 1.00 15.12 ? 52  ARG B CZ  1 
ATOM   393  N  NH1 . ARG A 1 46  ? -35.262 -4.701  -36.836 1.00 14.41 ? 52  ARG B NH1 1 
ATOM   394  N  NH2 . ARG A 1 46  ? -35.421 -3.841  -38.941 1.00 18.29 ? 52  ARG B NH2 1 
ATOM   395  N  N   . PHE A 1 47  ? -36.591 -10.701 -33.902 1.00 12.80 ? 53  PHE B N   1 
ATOM   396  C  CA  . PHE A 1 47  ? -37.393 -11.414 -32.902 1.00 12.31 ? 53  PHE B CA  1 
ATOM   397  C  C   . PHE A 1 47  ? -38.820 -10.808 -32.900 1.00 14.32 ? 53  PHE B C   1 
ATOM   398  O  O   . PHE A 1 47  ? -38.968 -9.619  -32.657 1.00 15.46 ? 53  PHE B O   1 
ATOM   399  C  CB  . PHE A 1 47  ? -36.794 -11.326 -31.508 1.00 11.71 ? 53  PHE B CB  1 
ATOM   400  C  CG  . PHE A 1 47  ? -35.544 -12.179 -31.388 1.00 11.31 ? 53  PHE B CG  1 
ATOM   401  C  CD1 . PHE A 1 47  ? -35.650 -13.547 -31.135 1.00 11.59 ? 53  PHE B CD1 1 
ATOM   402  C  CD2 . PHE A 1 47  ? -34.274 -11.629 -31.468 1.00 12.09 ? 53  PHE B CD2 1 
ATOM   403  C  CE1 . PHE A 1 47  ? -34.499 -14.327 -31.008 1.00 12.41 ? 53  PHE B CE1 1 
ATOM   404  C  CE2 . PHE A 1 47  ? -33.127 -12.426 -31.328 1.00 11.67 ? 53  PHE B CE2 1 
ATOM   405  C  CZ  . PHE A 1 47  ? -33.266 -13.782 -31.103 1.00 11.02 ? 53  PHE B CZ  1 
ATOM   406  N  N   . SER A 1 48  ? -39.843 -11.587 -33.165 1.00 14.57 ? 54  SER B N   1 
ATOM   407  C  CA  . SER A 1 48  ? -41.211 -11.050 -33.373 1.00 15.55 ? 54  SER B CA  1 
ATOM   408  C  C   . SER A 1 48  ? -41.970 -10.944 -32.068 1.00 15.52 ? 54  SER B C   1 
ATOM   409  O  O   . SER A 1 48  ? -42.761 -9.990  -31.949 1.00 18.28 ? 54  SER B O   1 
ATOM   410  C  CB  . SER A 1 48  ? -41.951 -11.922 -34.368 1.00 16.25 ? 54  SER B CB  1 
ATOM   411  O  OG  . SER A 1 48  ? -42.106 -13.251 -33.941 1.00 16.82 ? 54  SER B OG  1 
ATOM   412  N  N   . ASN A 1 49  ? -41.840 -11.845 -31.117 1.00 14.41 ? 55  ASN B N   1 
ATOM   413  C  CA  . ASN A 1 49  ? -42.772 -12.020 -29.978 1.00 15.54 ? 55  ASN B CA  1 
ATOM   414  C  C   . ASN A 1 49  ? -42.280 -11.331 -28.712 1.00 14.73 ? 55  ASN B C   1 
ATOM   415  O  O   . ASN A 1 49  ? -43.048 -11.178 -27.767 1.00 16.15 ? 55  ASN B O   1 
ATOM   416  C  CB  . ASN A 1 49  ? -43.097 -13.481 -29.684 1.00 16.71 ? 55  ASN B CB  1 
ATOM   417  C  CG  . ASN A 1 49  ? -44.021 -14.128 -30.714 1.00 19.50 ? 55  ASN B CG  1 
ATOM   418  O  OD1 . ASN A 1 49  ? -43.867 -13.950 -31.914 1.00 21.32 ? 55  ASN B OD1 1 
ATOM   419  N  ND2 . ASN A 1 49  ? -45.008 -14.847 -30.203 1.00 24.34 ? 55  ASN B ND2 1 
ATOM   420  N  N   . TYR A 1 50  ? -40.970 -11.046 -28.632 1.00 13.33 ? 56  TYR B N   1 
ATOM   421  C  CA  . TYR A 1 50  ? -40.361 -10.559 -27.376 1.00 12.13 ? 56  TYR B CA  1 
ATOM   422  C  C   . TYR A 1 50  ? -39.389 -9.413  -27.696 1.00 11.03 ? 56  TYR B C   1 
ATOM   423  O  O   . TYR A 1 50  ? -38.856 -9.326  -28.802 1.00 12.26 ? 56  TYR B O   1 
ATOM   424  C  CB  . TYR A 1 50  ? -39.547 -11.690 -26.741 1.00 12.73 ? 56  TYR B CB  1 
ATOM   425  C  CG  . TYR A 1 50  ? -40.255 -13.023 -26.652 1.00 13.85 ? 56  TYR B CG  1 
ATOM   426  C  CD1 . TYR A 1 50  ? -41.260 -13.204 -25.704 1.00 15.81 ? 56  TYR B CD1 1 
ATOM   427  C  CD2 . TYR A 1 50  ? -39.955 -14.100 -27.484 1.00 14.78 ? 56  TYR B CD2 1 
ATOM   428  C  CE1 . TYR A 1 50  ? -41.937 -14.420 -25.572 1.00 17.24 ? 56  TYR B CE1 1 
ATOM   429  C  CE2 . TYR A 1 50  ? -40.667 -15.289 -27.420 1.00 16.47 ? 56  TYR B CE2 1 
ATOM   430  C  CZ  . TYR A 1 50  ? -41.634 -15.455 -26.446 1.00 16.87 ? 56  TYR B CZ  1 
ATOM   431  O  OH  . TYR A 1 50  ? -42.277 -16.674 -26.384 1.00 17.99 ? 56  TYR B OH  1 
ATOM   432  N  N   . PRO A 1 51  ? -39.083 -8.531  -26.729 1.00 11.12 ? 57  PRO B N   1 
ATOM   433  C  CA  . PRO A 1 51  ? -38.213 -7.371  -26.945 1.00 11.15 ? 57  PRO B CA  1 
ATOM   434  C  C   . PRO A 1 51  ? -36.702 -7.709  -26.916 1.00 10.55 ? 57  PRO B C   1 
ATOM   435  O  O   . PRO A 1 51  ? -35.943 -7.175  -26.136 1.00 11.47 ? 57  PRO B O   1 
ATOM   436  C  CB  . PRO A 1 51  ? -38.612 -6.385  -25.796 1.00 13.47 ? 57  PRO B CB  1 
ATOM   437  C  CG  . PRO A 1 51  ? -39.753 -7.035  -25.081 1.00 14.21 ? 57  PRO B CG  1 
ATOM   438  C  CD  . PRO A 1 51  ? -39.712 -8.472  -25.421 1.00 12.22 ? 57  PRO B CD  1 
ATOM   439  N  N   . MET A 1 52  ? -36.317 -8.588  -27.858 1.00 10.33 ? 58  MET B N   1 
ATOM   440  C  CA  . MET A 1 52  ? -34.972 -9.192  -27.944 1.00 9.81  ? 58  MET B CA  1 
ATOM   441  C  C   . MET A 1 52  ? -34.175 -8.589  -29.087 1.00 10.51 ? 58  MET B C   1 
ATOM   442  O  O   . MET A 1 52  ? -34.695 -8.116  -30.130 1.00 10.91 ? 58  MET B O   1 
ATOM   443  C  CB  . MET A 1 52  ? -35.119 -10.704 -28.139 1.00 10.37 ? 58  MET B CB  1 
ATOM   444  C  CG  . MET A 1 52  ? -35.649 -11.407 -26.940 1.00 10.33 ? 58  MET B CG  1 
ATOM   445  S  SD  . MET A 1 52  ? -36.154 -13.100 -27.333 1.00 11.95 ? 58  MET B SD  1 
ATOM   446  C  CE  . MET A 1 52  ? -36.750 -13.727 -25.779 1.00 12.71 ? 58  MET B CE  1 
ATOM   447  N  N   . VAL A 1 53  ? -32.848 -8.668  -28.933 1.00 9.99  ? 59  VAL B N   1 
ATOM   448  C  CA  . VAL A 1 53  ? -31.872 -8.214  -29.950 1.00 10.16 ? 59  VAL B CA  1 
ATOM   449  C  C   . VAL A 1 53  ? -30.578 -8.993  -29.750 1.00 10.86 ? 59  VAL B C   1 
ATOM   450  O  O   . VAL A 1 53  ? -30.275 -9.385  -28.589 1.00 11.23 ? 59  VAL B O   1 
ATOM   451  C  CB  . VAL A 1 53  ? -31.671 -6.684  -29.905 1.00 11.03 ? 59  VAL B CB  1 
ATOM   452  C  CG1 . VAL A 1 53  ? -31.134 -6.194  -28.579 1.00 11.35 ? 59  VAL B CG1 1 
ATOM   453  C  CG2 . VAL A 1 53  ? -30.813 -6.147  -31.066 1.00 11.33 ? 59  VAL B CG2 1 
ATOM   454  N  N   . LEU A 1 54  ? -29.801 -9.164  -30.798 1.00 10.93 ? 60  LEU B N   1 
ATOM   455  C  CA  . LEU A 1 54  ? -28.469 -9.816  -30.732 1.00 10.51 ? 60  LEU B CA  1 
ATOM   456  C  C   . LEU A 1 54  ? -27.371 -8.790  -30.872 1.00 11.52 ? 60  LEU B C   1 
ATOM   457  O  O   . LEU A 1 54  ? -27.481 -7.718  -31.562 1.00 12.71 ? 60  LEU B O   1 
ATOM   458  C  CB  . LEU A 1 54  ? -28.319 -10.856 -31.844 1.00 11.37 ? 60  LEU B CB  1 
ATOM   459  C  CG  . LEU A 1 54  ? -29.378 -11.939 -31.883 1.00 11.78 ? 60  LEU B CG  1 
ATOM   460  C  CD1 . LEU A 1 54  ? -29.116 -13.044 -32.909 1.00 14.03 ? 60  LEU B CD1 1 
ATOM   461  C  CD2 . LEU A 1 54  ? -29.588 -12.567 -30.524 1.00 12.15 ? 60  LEU B CD2 1 
ATOM   462  N  N   . GLY A 1 55  ? -26.211 -9.126  -30.324 1.00 11.50 ? 61  GLY B N   1 
ATOM   463  C  CA  . GLY A 1 55  ? -24.960 -8.440  -30.695 1.00 12.11 ? 61  GLY B CA  1 
ATOM   464  C  C   . GLY A 1 55  ? -24.572 -8.769  -32.138 1.00 11.58 ? 61  GLY B C   1 
ATOM   465  O  O   . GLY A 1 55  ? -24.904 -9.848  -32.619 1.00 12.59 ? 61  GLY B O   1 
ATOM   466  N  N   . ALA A 1 56  ? -23.820 -7.887  -32.748 1.00 13.61 ? 62  ALA B N   1 
ATOM   467  C  CA  . ALA A 1 56  ? -23.312 -8.061  -34.134 1.00 15.38 ? 62  ALA B CA  1 
ATOM   468  C  C   . ALA A 1 56  ? -22.192 -9.112  -34.172 1.00 16.06 ? 62  ALA B C   1 
ATOM   469  O  O   . ALA A 1 56  ? -22.062 -9.812  -35.200 1.00 19.85 ? 62  ALA B O   1 
ATOM   470  C  CB  . ALA A 1 56  ? -22.835 -6.731  -34.614 1.00 17.06 ? 62  ALA B CB  1 
ATOM   471  N  N   . GLN A 1 57  ? -21.467 -9.249  -33.074 1.00 15.04 ? 63  GLN B N   1 
ATOM   472  C  CA  . GLN A 1 57  ? -20.250 -10.097 -33.054 1.00 15.29 ? 63  GLN B CA  1 
ATOM   473  C  C   . GLN A 1 57  ? -20.697 -11.556 -33.055 1.00 16.92 ? 63  GLN B C   1 
ATOM   474  O  O   . GLN A 1 57  ? -21.722 -11.922 -32.442 1.00 17.64 ? 63  GLN B O   1 
ATOM   475  C  CB  . GLN A 1 57  ? -19.399 -9.745  -31.826 1.00 17.52 ? 63  GLN B CB  1 
ATOM   476  C  CG  . GLN A 1 57  ? -18.693 -8.403  -31.928 1.00 18.94 ? 63  GLN B CG  1 
ATOM   477  C  CD  . GLN A 1 57  ? -19.635 -7.219  -31.800 1.00 19.17 ? 63  GLN B CD  1 
ATOM   478  O  OE1 . GLN A 1 57  ? -20.586 -7.282  -31.025 1.00 18.22 ? 63  GLN B OE1 1 
ATOM   479  N  NE2 . GLN A 1 57  ? -19.404 -6.136  -32.513 1.00 21.66 ? 63  GLN B NE2 1 
ATOM   480  N  N   . ARG A 1 58  ? -19.956 -12.404 -33.761 1.00 16.83 ? 64  ARG B N   1 
ATOM   481  C  CA  . ARG A 1 58  ? -20.108 -13.870 -33.767 1.00 17.25 ? 64  ARG B CA  1 
ATOM   482  C  C   . ARG A 1 58  ? -18.834 -14.513 -33.222 1.00 15.26 ? 64  ARG B C   1 
ATOM   483  O  O   . ARG A 1 58  ? -17.711 -14.049 -33.556 1.00 18.86 ? 64  ARG B O   1 
ATOM   484  C  CB  . ARG A 1 58  ? -20.290 -14.416 -35.195 1.00 20.89 ? 64  ARG B CB  1 
ATOM   485  C  CG  . ARG A 1 58  ? -21.651 -14.183 -35.855 1.00 30.25 ? 64  ARG B CG  1 
ATOM   486  C  CD  . ARG A 1 58  ? -22.118 -12.742 -35.818 1.00 33.83 ? 64  ARG B CD  1 
ATOM   487  N  NE  . ARG A 1 58  ? -23.053 -12.151 -36.788 1.00 39.63 ? 64  ARG B NE  1 
ATOM   488  C  CZ  . ARG A 1 58  ? -23.729 -12.758 -37.765 1.00 39.37 ? 64  ARG B CZ  1 
ATOM   489  N  NH1 . ARG A 1 58  ? -24.535 -12.036 -38.527 1.00 44.10 ? 64  ARG B NH1 1 
ATOM   490  N  NH2 . ARG A 1 58  ? -23.639 -14.052 -37.987 1.00 38.17 ? 64  ARG B NH2 1 
ATOM   491  N  N   . PHE A 1 59  ? -18.975 -15.449 -32.311 1.00 14.09 ? 65  PHE B N   1 
ATOM   492  C  CA  . PHE A 1 59  ? -17.806 -16.102 -31.655 1.00 14.73 ? 65  PHE B CA  1 
ATOM   493  C  C   . PHE A 1 59  ? -17.860 -17.598 -31.908 1.00 13.84 ? 65  PHE B C   1 
ATOM   494  O  O   . PHE A 1 59  ? -18.871 -18.233 -31.645 1.00 13.51 ? 65  PHE B O   1 
ATOM   495  C  CB  . PHE A 1 59  ? -17.875 -15.833 -30.131 1.00 16.53 ? 65  PHE B CB  1 
ATOM   496  C  CG  . PHE A 1 59  ? -17.858 -14.354 -29.774 1.00 18.33 ? 65  PHE B CG  1 
ATOM   497  C  CD1 . PHE A 1 59  ? -16.837 -13.542 -30.246 1.00 20.84 ? 65  PHE B CD1 1 
ATOM   498  C  CD2 . PHE A 1 59  ? -18.839 -13.770 -29.011 1.00 25.49 ? 65  PHE B CD2 1 
ATOM   499  C  CE1 . PHE A 1 59  ? -16.773 -12.186 -29.957 1.00 23.87 ? 65  PHE B CE1 1 
ATOM   500  C  CE2 . PHE A 1 59  ? -18.762 -12.416 -28.679 1.00 20.84 ? 65  PHE B CE2 1 
ATOM   501  C  CZ  . PHE A 1 59  ? -17.766 -11.631 -29.200 1.00 21.68 ? 65  PHE B CZ  1 
ATOM   502  N  N   A SER A 1 60  ? -16.759 -18.183 -32.411 0.25 14.08 ? 66  SER B N   1 
ATOM   503  N  N   B SER A 1 60  ? -16.752 -18.180 -32.397 0.25 14.74 ? 66  SER B N   1 
ATOM   504  C  CA  A SER A 1 60  ? -16.668 -19.642 -32.690 0.25 14.43 ? 66  SER B CA  1 
ATOM   505  C  CA  B SER A 1 60  ? -16.629 -19.639 -32.664 0.25 15.53 ? 66  SER B CA  1 
ATOM   506  C  C   A SER A 1 60  ? -15.446 -20.268 -31.999 0.25 14.26 ? 66  SER B C   1 
ATOM   507  C  C   B SER A 1 60  ? -15.354 -20.202 -32.046 0.25 15.57 ? 66  SER B C   1 
ATOM   508  O  O   A SER A 1 60  ? -15.302 -21.508 -32.074 0.25 13.72 ? 66  SER B O   1 
ATOM   509  O  O   B SER A 1 60  ? -14.947 -21.299 -32.436 0.25 14.83 ? 66  SER B O   1 
ATOM   510  C  CB  A SER A 1 60  ? -16.694 -19.904 -34.186 0.25 14.54 ? 66  SER B CB  1 
ATOM   511  C  CB  B SER A 1 60  ? -16.609 -19.906 -34.128 0.25 15.82 ? 66  SER B CB  1 
ATOM   512  O  OG  A SER A 1 60  ? -18.025 -19.739 -34.714 0.25 14.95 ? 66  SER B OG  1 
ATOM   513  O  OG  B SER A 1 60  ? -15.540 -19.197 -34.708 0.25 17.27 ? 66  SER B OG  1 
ATOM   514  N  N   A SER A 1 61  ? -14.656 -19.462 -31.282 0.25 13.97 ? 67  SER B N   1 
ATOM   515  N  N   B SER A 1 61  ? -14.727 -19.461 -31.145 0.25 16.00 ? 67  SER B N   1 
ATOM   516  C  CA  A SER A 1 61  ? -13.449 -19.911 -30.549 0.25 14.82 ? 67  SER B CA  1 
ATOM   517  C  CA  B SER A 1 61  ? -13.448 -19.873 -30.543 0.25 17.32 ? 67  SER B CA  1 
ATOM   518  C  C   A SER A 1 61  ? -13.110 -18.920 -29.432 0.25 15.41 ? 67  SER B C   1 
ATOM   519  C  C   B SER A 1 61  ? -13.026 -18.864 -29.482 0.25 16.89 ? 67  SER B C   1 
ATOM   520  O  O   A SER A 1 61  ? -13.679 -17.826 -29.433 0.25 15.02 ? 67  SER B O   1 
ATOM   521  O  O   B SER A 1 61  ? -13.425 -17.684 -29.598 0.25 16.53 ? 67  SER B O   1 
ATOM   522  C  CB  A SER A 1 61  ? -12.278 -20.055 -31.510 0.25 14.75 ? 67  SER B CB  1 
ATOM   523  C  CB  B SER A 1 61  ? -12.405 -19.992 -31.629 0.25 18.41 ? 67  SER B CB  1 
ATOM   524  O  OG  A SER A 1 61  ? -11.778 -18.787 -31.904 0.25 14.76 ? 67  SER B OG  1 
ATOM   525  O  OG  B SER A 1 61  ? -11.179 -20.427 -31.078 0.25 21.58 ? 67  SER B OG  1 
ATOM   526  N  N   . GLY A 1 62  ? -12.215 -19.306 -28.522 1.00 17.06 ? 68  GLY B N   1 
ATOM   527  C  CA  . GLY A 1 62  ? -11.585 -18.363 -27.586 1.00 18.28 ? 68  GLY B CA  1 
ATOM   528  C  C   . GLY A 1 62  ? -12.419 -18.054 -26.349 1.00 15.01 ? 68  GLY B C   1 
ATOM   529  O  O   . GLY A 1 62  ? -13.454 -18.714 -26.103 1.00 16.49 ? 68  GLY B O   1 
ATOM   530  N  N   . LYS A 1 63  ? -11.921 -17.054 -25.652 1.00 14.88 ? 69  LYS B N   1 
ATOM   531  C  CA  . LYS A 1 63  ? -12.481 -16.568 -24.386 1.00 15.28 ? 69  LYS B CA  1 
ATOM   532  C  C   . LYS A 1 63  ? -12.908 -15.127 -24.639 1.00 15.19 ? 69  LYS B C   1 
ATOM   533  O  O   . LYS A 1 63  ? -12.117 -14.325 -25.185 1.00 16.66 ? 69  LYS B O   1 
ATOM   534  C  CB  . LYS A 1 63  ? -11.433 -16.704 -23.284 1.00 17.67 ? 69  LYS B CB  1 
ATOM   535  C  CG  . LYS A 1 63  ? -11.048 -18.138 -22.918 1.00 17.78 ? 69  LYS B CG  1 
ATOM   536  C  CD  . LYS A 1 63  ? -9.868  -18.197 -21.898 1.00 20.57 ? 69  LYS B CD  1 
ATOM   537  C  CE  . LYS A 1 63  ? -9.605  -19.589 -21.374 1.00 23.69 ? 69  LYS B CE  1 
ATOM   538  N  NZ  . LYS A 1 63  ? -8.491  -19.582 -20.387 1.00 26.53 ? 69  LYS B NZ  1 
ATOM   539  N  N   . MET A 1 64  ? -14.123 -14.784 -24.223 1.00 13.81 ? 70  MET B N   1 
ATOM   540  C  CA  . MET A 1 64  ? -14.736 -13.455 -24.422 1.00 13.84 ? 70  MET B CA  1 
ATOM   541  C  C   . MET A 1 64  ? -15.412 -13.003 -23.128 1.00 13.42 ? 70  MET B C   1 
ATOM   542  O  O   . MET A 1 64  ? -15.981 -13.827 -22.428 1.00 14.06 ? 70  MET B O   1 
ATOM   543  C  CB  . MET A 1 64  ? -15.853 -13.551 -25.445 1.00 14.59 ? 70  MET B CB  1 
ATOM   544  C  CG  . MET A 1 64  ? -15.428 -13.705 -26.884 1.00 14.79 ? 70  MET B CG  1 
ATOM   545  S  SD  . MET A 1 64  ? -14.677 -15.293 -27.409 1.00 17.83 ? 70  MET B SD  1 
ATOM   546  C  CE  . MET A 1 64  ? -15.896 -16.503 -26.962 1.00 17.18 ? 70  MET B CE  1 
ATOM   547  N  N   . TYR A 1 65  ? -15.388 -11.722 -22.840 1.00 13.82 ? 71  TYR B N   1 
ATOM   548  C  CA  . TYR A 1 65  ? -15.975 -11.160 -21.594 1.00 13.83 ? 71  TYR B CA  1 
ATOM   549  C  C   . TYR A 1 65  ? -16.598 -9.828  -21.962 1.00 14.06 ? 71  TYR B C   1 
ATOM   550  O  O   . TYR A 1 65  ? -15.960 -9.000  -22.692 1.00 14.18 ? 71  TYR B O   1 
ATOM   551  C  CB  . TYR A 1 65  ? -14.913 -10.960 -20.506 1.00 14.47 ? 71  TYR B CB  1 
ATOM   552  C  CG  . TYR A 1 65  ? -15.411 -10.360 -19.217 1.00 14.04 ? 71  TYR B CG  1 
ATOM   553  C  CD1 . TYR A 1 65  ? -16.159 -11.122 -18.334 1.00 13.86 ? 71  TYR B CD1 1 
ATOM   554  C  CD2 . TYR A 1 65  ? -15.239 -9.000  -18.958 1.00 14.66 ? 71  TYR B CD2 1 
ATOM   555  C  CE1 . TYR A 1 65  ? -16.650 -10.578 -17.147 1.00 14.90 ? 71  TYR B CE1 1 
ATOM   556  C  CE2 . TYR A 1 65  ? -15.753 -8.443  -17.793 1.00 14.37 ? 71  TYR B CE2 1 
ATOM   557  C  CZ  . TYR A 1 65  ? -16.462 -9.223  -16.911 1.00 14.09 ? 71  TYR B CZ  1 
ATOM   558  O  OH  . TYR A 1 65  ? -16.956 -8.677  -15.759 1.00 15.97 ? 71  TYR B OH  1 
ATOM   559  N  N   . TRP A 1 66  ? -17.796 -9.554  -21.479 1.00 11.96 ? 72  TRP B N   1 
ATOM   560  C  CA  . TRP A 1 66  ? -18.372 -8.192  -21.574 1.00 12.15 ? 72  TRP B CA  1 
ATOM   561  C  C   . TRP A 1 66  ? -19.257 -7.929  -20.339 1.00 12.73 ? 72  TRP B C   1 
ATOM   562  O  O   . TRP A 1 66  ? -19.601 -8.857  -19.599 1.00 12.88 ? 72  TRP B O   1 
ATOM   563  C  CB  . TRP A 1 66  ? -19.111 -7.983  -22.917 1.00 11.96 ? 72  TRP B CB  1 
ATOM   564  C  CG  . TRP A 1 66  ? -20.282 -8.870  -23.177 1.00 11.16 ? 72  TRP B CG  1 
ATOM   565  C  CD1 . TRP A 1 66  ? -21.621 -8.590  -22.965 1.00 11.30 ? 72  TRP B CD1 1 
ATOM   566  C  CD2 . TRP A 1 66  ? -20.283 -10.182 -23.738 1.00 12.94 ? 72  TRP B CD2 1 
ATOM   567  N  NE1 . TRP A 1 66  ? -22.409 -9.646  -23.351 1.00 11.52 ? 72  TRP B NE1 1 
ATOM   568  C  CE2 . TRP A 1 66  ? -21.608 -10.645 -23.808 1.00 12.53 ? 72  TRP B CE2 1 
ATOM   569  C  CE3 . TRP A 1 66  ? -19.260 -11.043 -24.152 1.00 14.13 ? 72  TRP B CE3 1 
ATOM   570  C  CZ2 . TRP A 1 66  ? -21.960 -11.883 -24.305 1.00 13.09 ? 72  TRP B CZ2 1 
ATOM   571  C  CZ3 . TRP A 1 66  ? -19.600 -12.256 -24.699 1.00 16.26 ? 72  TRP B CZ3 1 
ATOM   572  C  CH2 . TRP A 1 66  ? -20.923 -12.696 -24.725 1.00 15.04 ? 72  TRP B CH2 1 
ATOM   573  N  N   . GLU A 1 67  ? -19.678 -6.672  -20.167 1.00 12.33 ? 73  GLU B N   1 
ATOM   574  C  CA  . GLU A 1 67  ? -20.506 -6.234  -19.018 1.00 11.73 ? 73  GLU B CA  1 
ATOM   575  C  C   . GLU A 1 67  ? -21.716 -5.443  -19.484 1.00 11.73 ? 73  GLU B C   1 
ATOM   576  O  O   . GLU A 1 67  ? -21.629 -4.736  -20.484 1.00 12.68 ? 73  GLU B O   1 
ATOM   577  C  CB  . GLU A 1 67  ? -19.703 -5.385  -18.035 1.00 13.58 ? 73  GLU B CB  1 
ATOM   578  C  CG  . GLU A 1 67  ? -18.600 -6.222  -17.372 1.00 15.80 ? 73  GLU B CG  1 
ATOM   579  C  CD  . GLU A 1 67  ? -17.749 -5.467  -16.369 1.00 19.93 ? 73  GLU B CD  1 
ATOM   580  O  OE1 . GLU A 1 67  ? -17.893 -4.195  -16.302 1.00 23.73 ? 73  GLU B OE1 1 
ATOM   581  O  OE2 . GLU A 1 67  ? -16.924 -6.141  -15.645 1.00 18.41 ? 73  GLU B OE2 1 
ATOM   582  N  N   . VAL A 1 68  ? -22.825 -5.641  -18.783 1.00 12.15 ? 74  VAL B N   1 
ATOM   583  C  CA  . VAL A 1 68  ? -24.109 -5.002  -19.133 1.00 11.82 ? 74  VAL B CA  1 
ATOM   584  C  C   . VAL A 1 68  ? -24.668 -4.323  -17.895 1.00 11.30 ? 74  VAL B C   1 
ATOM   585  O  O   . VAL A 1 68  ? -24.770 -4.956  -16.836 1.00 12.56 ? 74  VAL B O   1 
ATOM   586  C  CB  . VAL A 1 68  ? -25.106 -6.018  -19.682 1.00 11.66 ? 74  VAL B CB  1 
ATOM   587  C  CG1 . VAL A 1 68  ? -26.356 -5.306  -20.130 1.00 12.35 ? 74  VAL B CG1 1 
ATOM   588  C  CG2 . VAL A 1 68  ? -24.484 -6.868  -20.789 1.00 12.73 ? 74  VAL B CG2 1 
ATOM   589  N  N   . ASP A 1 69  ? -25.118 -3.075  -18.047 1.00 11.90 ? 75  ASP B N   1 
ATOM   590  C  CA  . ASP A 1 69  ? -25.796 -2.292  -16.991 1.00 13.18 ? 75  ASP B CA  1 
ATOM   591  C  C   . ASP A 1 69  ? -27.287 -2.566  -17.035 1.00 11.23 ? 75  ASP B C   1 
ATOM   592  O  O   . ASP A 1 69  ? -27.911 -2.465  -18.158 1.00 12.23 ? 75  ASP B O   1 
ATOM   593  C  CB  . ASP A 1 69  ? -25.505 -0.790  -17.154 1.00 14.91 ? 75  ASP B CB  1 
ATOM   594  C  CG  . ASP A 1 69  ? -25.910 0.026   -15.919 1.00 17.65 ? 75  ASP B CG  1 
ATOM   595  O  OD1 . ASP A 1 69  ? -27.046 0.027   -15.586 1.00 16.91 ? 75  ASP B OD1 1 
ATOM   596  O  OD2 . ASP A 1 69  ? -24.998 0.480   -15.182 1.00 24.00 ? 75  ASP B OD2 1 
ATOM   597  N  N   . VAL A 1 70  ? -27.841 -3.002  -15.907 1.00 11.65 ? 76  VAL B N   1 
ATOM   598  C  CA  . VAL A 1 70  ? -29.286 -3.331  -15.725 1.00 12.29 ? 76  VAL B CA  1 
ATOM   599  C  C   . VAL A 1 70  ? -29.971 -2.420  -14.681 1.00 13.40 ? 76  VAL B C   1 
ATOM   600  O  O   . VAL A 1 70  ? -31.039 -2.762  -14.189 1.00 13.55 ? 76  VAL B O   1 
ATOM   601  C  CB  . VAL A 1 70  ? -29.452 -4.838  -15.393 1.00 12.56 ? 76  VAL B CB  1 
ATOM   602  C  CG1 . VAL A 1 70  ? -28.864 -5.758  -16.505 1.00 12.50 ? 76  VAL B CG1 1 
ATOM   603  C  CG2 . VAL A 1 70  ? -28.837 -5.237  -14.051 1.00 14.08 ? 76  VAL B CG2 1 
ATOM   604  N  N   . THR A 1 71  ? -29.324 -1.320  -14.319 1.00 13.30 ? 77  THR B N   1 
ATOM   605  C  CA  . THR A 1 71  ? -29.828 -0.384  -13.276 1.00 15.03 ? 77  THR B CA  1 
ATOM   606  C  C   . THR A 1 71  ? -31.320 -0.081  -13.482 1.00 14.11 ? 77  THR B C   1 
ATOM   607  O  O   . THR A 1 71  ? -31.753 0.264   -14.610 1.00 14.30 ? 77  THR B O   1 
ATOM   608  C  CB  . THR A 1 71  ? -29.031 0.916   -13.321 1.00 15.72 ? 77  THR B CB  1 
ATOM   609  O  OG1 . THR A 1 71  ? -27.648 0.676   -13.018 1.00 18.93 ? 77  THR B OG1 1 
ATOM   610  C  CG2 . THR A 1 71  ? -29.631 1.887   -12.328 1.00 20.19 ? 77  THR B CG2 1 
ATOM   611  N  N   . GLN A 1 72  ? -32.036 -0.214  -12.381 1.00 17.24 ? 78  GLN B N   1 
ATOM   612  C  CA  . GLN A 1 72  ? -33.479 0.074   -12.146 1.00 20.40 ? 78  GLN B CA  1 
ATOM   613  C  C   . GLN A 1 72  ? -34.421 -0.711  -13.048 1.00 20.63 ? 78  GLN B C   1 
ATOM   614  O  O   . GLN A 1 72  ? -35.632 -0.451  -12.990 1.00 24.76 ? 78  GLN B O   1 
ATOM   615  C  CB  . GLN A 1 72  ? -33.726 1.581   -12.135 1.00 28.12 ? 78  GLN B CB  1 
ATOM   616  C  CG  . GLN A 1 72  ? -33.430 2.331   -13.426 1.00 32.57 ? 78  GLN B CG  1 
ATOM   617  C  CD  . GLN A 1 72  ? -34.554 3.263   -13.826 1.00 35.62 ? 78  GLN B CD  1 
ATOM   618  O  OE1 . GLN A 1 72  ? -34.349 4.261   -14.520 1.00 36.38 ? 78  GLN B OE1 1 
ATOM   619  N  NE2 . GLN A 1 72  ? -35.774 2.872   -13.476 1.00 39.28 ? 78  GLN B NE2 1 
ATOM   620  N  N   . LYS A 1 73  ? -33.993 -1.740  -13.759 1.00 14.68 ? 79  LYS B N   1 
ATOM   621  C  CA  . LYS A 1 73  ? -34.956 -2.599  -14.466 1.00 12.97 ? 79  LYS B CA  1 
ATOM   622  C  C   . LYS A 1 73  ? -35.635 -3.635  -13.579 1.00 12.36 ? 79  LYS B C   1 
ATOM   623  O  O   . LYS A 1 73  ? -34.998 -4.154  -12.620 1.00 14.21 ? 79  LYS B O   1 
ATOM   624  C  CB  . LYS A 1 73  ? -34.210 -3.300  -15.605 1.00 13.37 ? 79  LYS B CB  1 
ATOM   625  C  CG  . LYS A 1 73  ? -33.777 -2.302  -16.708 1.00 13.33 ? 79  LYS B CG  1 
ATOM   626  C  CD  . LYS A 1 73  ? -33.267 -2.915  -17.991 1.00 14.12 ? 79  LYS B CD  1 
ATOM   627  C  CE  . LYS A 1 73  ? -34.317 -3.665  -18.789 1.00 12.57 ? 79  LYS B CE  1 
ATOM   628  N  NZ  . LYS A 1 73  ? -35.538 -2.849  -19.101 1.00 11.31 ? 79  LYS B NZ  1 
ATOM   629  N  N   . GLU A 1 74  ? -36.869 -3.943  -13.881 1.00 11.41 ? 80  GLU B N   1 
ATOM   630  C  CA  . GLU A 1 74  ? -37.667 -4.956  -13.191 1.00 11.11 ? 80  GLU B CA  1 
ATOM   631  C  C   . GLU A 1 74  ? -37.606 -6.311  -13.879 1.00 11.04 ? 80  GLU B C   1 
ATOM   632  O  O   . GLU A 1 74  ? -37.984 -7.310  -13.317 1.00 12.45 ? 80  GLU B O   1 
ATOM   633  C  CB  . GLU A 1 74  ? -39.147 -4.529  -13.161 1.00 12.72 ? 80  GLU B CB  1 
ATOM   634  C  CG  . GLU A 1 74  ? -39.440 -3.264  -12.379 1.00 14.32 ? 80  GLU B CG  1 
ATOM   635  C  CD  . GLU A 1 74  ? -40.915 -2.841  -12.494 1.00 14.45 ? 80  GLU B CD  1 
ATOM   636  O  OE1 . GLU A 1 74  ? -41.311 -1.998  -11.695 1.00 17.99 ? 80  GLU B OE1 1 
ATOM   637  O  OE2 . GLU A 1 74  ? -41.646 -3.382  -13.369 1.00 16.12 ? 80  GLU B OE2 1 
ATOM   638  N  N   . ALA A 1 75  ? -37.242 -6.355  -15.167 1.00 10.94 ? 81  ALA B N   1 
ATOM   639  C  CA  . ALA A 1 75  ? -37.257 -7.608  -15.936 1.00 11.03 ? 81  ALA B CA  1 
ATOM   640  C  C   . ALA A 1 75  ? -36.288 -7.474  -17.113 1.00 11.85 ? 81  ALA B C   1 
ATOM   641  O  O   . ALA A 1 75  ? -36.183 -6.415  -17.744 1.00 11.35 ? 81  ALA B O   1 
ATOM   642  C  CB  . ALA A 1 75  ? -38.624 -7.930  -16.473 1.00 12.00 ? 81  ALA B CB  1 
ATOM   643  N  N   . TRP A 1 76  ? -35.532 -8.555  -17.382 1.00 10.73 ? 82  TRP B N   1 
ATOM   644  C  CA  . TRP A 1 76  ? -34.555 -8.633  -18.513 1.00 10.52 ? 82  TRP B CA  1 
ATOM   645  C  C   . TRP A 1 76  ? -34.050 -10.054 -18.591 1.00 11.44 ? 82  TRP B C   1 
ATOM   646  O  O   . TRP A 1 76  ? -34.157 -10.802 -17.608 1.00 11.08 ? 82  TRP B O   1 
ATOM   647  C  CB  . TRP A 1 76  ? -33.384 -7.655  -18.287 1.00 10.82 ? 82  TRP B CB  1 
ATOM   648  C  CG  . TRP A 1 76  ? -32.732 -7.700  -16.953 1.00 10.69 ? 82  TRP B CG  1 
ATOM   649  C  CD1 . TRP A 1 76  ? -32.931 -6.849  -15.908 1.00 12.31 ? 82  TRP B CD1 1 
ATOM   650  C  CD2 . TRP A 1 76  ? -31.759 -8.642  -16.428 1.00 10.98 ? 82  TRP B CD2 1 
ATOM   651  N  NE1 . TRP A 1 76  ? -32.181 -7.155  -14.817 1.00 11.83 ? 82  TRP B NE1 1 
ATOM   652  C  CE2 . TRP A 1 76  ? -31.468 -8.296  -15.094 1.00 11.93 ? 82  TRP B CE2 1 
ATOM   653  C  CE3 . TRP A 1 76  ? -31.115 -9.795  -16.960 1.00 11.99 ? 82  TRP B CE3 1 
ATOM   654  C  CZ2 . TRP A 1 76  ? -30.527 -8.946  -14.307 1.00 11.85 ? 82  TRP B CZ2 1 
ATOM   655  C  CZ3 . TRP A 1 76  ? -30.228 -10.487 -16.154 1.00 12.31 ? 82  TRP B CZ3 1 
ATOM   656  C  CH2 . TRP A 1 76  ? -29.953 -10.067 -14.843 1.00 12.43 ? 82  TRP B CH2 1 
ATOM   657  N  N   . ASP A 1 77  ? -33.542 -10.402 -19.766 1.00 10.52 ? 83  ASP B N   1 
ATOM   658  C  CA  . ASP A 1 77  ? -32.771 -11.665 -19.965 1.00 11.17 ? 83  ASP B CA  1 
ATOM   659  C  C   . ASP A 1 77  ? -31.406 -11.271 -20.546 1.00 10.82 ? 83  ASP B C   1 
ATOM   660  O  O   . ASP A 1 77  ? -31.363 -10.378 -21.421 1.00 10.76 ? 83  ASP B O   1 
ATOM   661  C  CB  . ASP A 1 77  ? -33.437 -12.638 -20.916 1.00 12.25 ? 83  ASP B CB  1 
ATOM   662  C  CG  . ASP A 1 77  ? -34.933 -12.870 -20.791 1.00 13.97 ? 83  ASP B CG  1 
ATOM   663  O  OD1 . ASP A 1 77  ? -35.386 -12.849 -19.691 1.00 17.62 ? 83  ASP B OD1 1 
ATOM   664  O  OD2 . ASP A 1 77  ? -35.596 -13.051 -21.841 1.00 16.12 ? 83  ASP B OD2 1 
ATOM   665  N  N   . LEU A 1 78  ? -30.325 -11.971 -20.192 1.00 9.67  ? 84  LEU B N   1 
ATOM   666  C  CA  . LEU A 1 78  ? -28.970 -11.727 -20.716 1.00 10.00 ? 84  LEU B CA  1 
ATOM   667  C  C   . LEU A 1 78  ? -28.250 -13.044 -20.890 1.00 10.11 ? 84  LEU B C   1 
ATOM   668  O  O   . LEU A 1 78  ? -28.393 -13.957 -20.078 1.00 10.29 ? 84  LEU B O   1 
ATOM   669  C  CB  . LEU A 1 78  ? -28.162 -10.880 -19.749 1.00 10.27 ? 84  LEU B CB  1 
ATOM   670  C  CG  . LEU A 1 78  ? -28.494 -9.402  -19.642 1.00 11.81 ? 84  LEU B CG  1 
ATOM   671  C  CD1 . LEU A 1 78  ? -27.667 -8.776  -18.520 1.00 12.41 ? 84  LEU B CD1 1 
ATOM   672  C  CD2 . LEU A 1 78  ? -28.309 -8.706  -20.961 1.00 12.26 ? 84  LEU B CD2 1 
ATOM   673  N  N   . GLY A 1 79  ? -27.431 -13.104 -21.945 1.00 9.03  ? 85  GLY B N   1 
ATOM   674  C  CA  . GLY A 1 79  ? -26.441 -14.190 -22.065 1.00 10.02 ? 85  GLY B CA  1 
ATOM   675  C  C   . GLY A 1 79  ? -25.934 -14.280 -23.488 1.00 9.12  ? 85  GLY B C   1 
ATOM   676  O  O   . GLY A 1 79  ? -25.541 -13.273 -24.075 1.00 9.47  ? 85  GLY B O   1 
ATOM   677  N  N   A VAL A 1 80  ? -25.849 -15.514 -23.999 0.25 9.24  ? 86  VAL B N   1 
ATOM   678  N  N   B VAL A 1 80  ? -25.933 -15.489 -24.034 0.25 10.05 ? 86  VAL B N   1 
ATOM   679  C  CA  A VAL A 1 80  ? -25.478 -15.812 -25.413 0.25 9.00  ? 86  VAL B CA  1 
ATOM   680  C  CA  B VAL A 1 80  ? -25.382 -15.759 -25.387 0.25 10.23 ? 86  VAL B CA  1 
ATOM   681  C  C   A VAL A 1 80  ? -26.480 -16.784 -26.019 0.25 9.37  ? 86  VAL B C   1 
ATOM   682  C  C   B VAL A 1 80  ? -26.289 -16.835 -26.008 0.25 10.24 ? 86  VAL B C   1 
ATOM   683  O  O   A VAL A 1 80  ? -27.202 -17.493 -25.319 0.25 9.93  ? 86  VAL B O   1 
ATOM   684  O  O   B VAL A 1 80  ? -26.856 -17.610 -25.260 0.25 10.89 ? 86  VAL B O   1 
ATOM   685  C  CB  A VAL A 1 80  ? -24.075 -16.422 -25.568 0.25 9.10  ? 86  VAL B CB  1 
ATOM   686  C  CB  B VAL A 1 80  ? -23.894 -16.151 -25.249 0.25 11.50 ? 86  VAL B CB  1 
ATOM   687  C  CG1 A VAL A 1 80  ? -23.029 -15.399 -25.191 0.25 8.86  ? 86  VAL B CG1 1 
ATOM   688  C  CG1 B VAL A 1 80  ? -23.734 -17.517 -24.590 0.25 11.59 ? 86  VAL B CG1 1 
ATOM   689  C  CG2 A VAL A 1 80  ? -23.919 -17.704 -24.760 0.25 9.10  ? 86  VAL B CG2 1 
ATOM   690  C  CG2 B VAL A 1 80  ? -23.133 -16.062 -26.558 0.25 12.45 ? 86  VAL B CG2 1 
ATOM   691  N  N   . CYS A 1 81  ? -26.445 -16.861 -27.339 1.00 9.99  ? 87  CYS B N   1 
ATOM   692  C  CA  . CYS A 1 81  ? -27.279 -17.841 -28.017 1.00 10.62 ? 87  CYS B CA  1 
ATOM   693  C  C   . CYS A 1 81  ? -26.602 -18.261 -29.325 1.00 10.77 ? 87  CYS B C   1 
ATOM   694  O  O   . CYS A 1 81  ? -25.731 -17.540 -29.853 1.00 10.63 ? 87  CYS B O   1 
ATOM   695  C  CB  . CYS A 1 81  ? -28.682 -17.291 -28.293 1.00 12.10 ? 87  CYS B CB  1 
ATOM   696  S  SG  . CYS A 1 81  ? -28.764 -15.890 -29.445 1.00 12.39 ? 87  CYS B SG  1 
ATOM   697  N  N   A ARG A 1 82  ? -27.046 -19.382 -29.857 0.25 10.66 ? 88  ARG B N   1 
ATOM   698  N  N   B ARG A 1 82  ? -27.039 -19.395 -29.858 0.25 10.74 ? 88  ARG B N   1 
ATOM   699  C  CA  A ARG A 1 82  ? -26.618 -19.777 -31.218 0.25 11.32 ? 88  ARG B CA  1 
ATOM   700  C  CA  B ARG A 1 82  ? -26.594 -19.869 -31.199 0.25 11.44 ? 88  ARG B CA  1 
ATOM   701  C  C   A ARG A 1 82  ? -27.048 -18.734 -32.244 0.25 11.20 ? 88  ARG B C   1 
ATOM   702  C  C   B ARG A 1 82  ? -27.111 -18.905 -32.288 0.25 11.44 ? 88  ARG B C   1 
ATOM   703  O  O   A ARG A 1 82  ? -28.085 -18.103 -32.113 0.25 10.48 ? 88  ARG B O   1 
ATOM   704  O  O   B ARG A 1 82  ? -28.303 -18.475 -32.217 0.25 10.94 ? 88  ARG B O   1 
ATOM   705  C  CB  A ARG A 1 82  ? -27.270 -21.101 -31.582 0.25 12.27 ? 88  ARG B CB  1 
ATOM   706  C  CB  B ARG A 1 82  ? -27.099 -21.307 -31.386 0.25 12.40 ? 88  ARG B CB  1 
ATOM   707  C  CG  A ARG A 1 82  ? -26.817 -22.198 -30.645 0.25 12.70 ? 88  ARG B CG  1 
ATOM   708  C  CG  B ARG A 1 82  ? -26.413 -22.067 -32.512 0.25 12.71 ? 88  ARG B CG  1 
ATOM   709  C  CD  A ARG A 1 82  ? -27.297 -23.539 -31.130 0.25 13.67 ? 88  ARG B CD  1 
ATOM   710  C  CD  B ARG A 1 82  ? -26.984 -23.441 -32.764 0.25 12.93 ? 88  ARG B CD  1 
ATOM   711  N  NE  A ARG A 1 82  ? -26.982 -24.597 -30.182 0.25 13.20 ? 88  ARG B NE  1 
ATOM   712  N  NE  B ARG A 1 82  ? -26.845 -24.250 -31.576 0.25 13.07 ? 88  ARG B NE  1 
ATOM   713  C  CZ  A ARG A 1 82  ? -27.827 -25.554 -29.864 0.25 13.56 ? 88  ARG B CZ  1 
ATOM   714  C  CZ  B ARG A 1 82  ? -27.866 -24.814 -30.935 0.25 13.12 ? 88  ARG B CZ  1 
ATOM   715  N  NH1 A ARG A 1 82  ? -29.037 -25.567 -30.398 0.25 13.84 ? 88  ARG B NH1 1 
ATOM   716  N  NH1 B ARG A 1 82  ? -29.089 -24.725 -31.406 0.25 14.42 ? 88  ARG B NH1 1 
ATOM   717  N  NH2 A ARG A 1 82  ? -27.460 -26.480 -29.000 0.25 14.77 ? 88  ARG B NH2 1 
ATOM   718  N  NH2 B ARG A 1 82  ? -27.639 -25.502 -29.837 0.25 12.50 ? 88  ARG B NH2 1 
ATOM   719  N  N   . ASP A 1 83  ? -26.288 -18.613 -33.308 1.00 12.22 ? 89  ASP B N   1 
ATOM   720  C  CA  . ASP A 1 83  ? -26.704 -17.730 -34.423 1.00 13.64 ? 89  ASP B CA  1 
ATOM   721  C  C   . ASP A 1 83  ? -27.981 -18.283 -35.044 1.00 15.05 ? 89  ASP B C   1 
ATOM   722  O  O   . ASP A 1 83  ? -28.698 -17.438 -35.645 1.00 18.33 ? 89  ASP B O   1 
ATOM   723  C  CB  . ASP A 1 83  ? -25.559 -17.627 -35.432 1.00 16.05 ? 89  ASP B CB  1 
ATOM   724  C  CG  . ASP A 1 83  ? -25.142 -18.883 -36.136 1.00 19.89 ? 89  ASP B CG  1 
ATOM   725  O  OD1 . ASP A 1 83  ? -25.654 -19.986 -35.829 1.00 24.75 ? 89  ASP B OD1 1 
ATOM   726  O  OD2 . ASP A 1 83  ? -24.327 -18.723 -37.109 1.00 23.24 ? 89  ASP B OD2 1 
ATOM   727  N  N   . SER A 1 84  ? -28.282 -19.580 -34.976 1.00 13.68 ? 90  SER B N   1 
ATOM   728  C  CA  . SER A 1 84  ? -29.433 -20.200 -35.669 1.00 16.24 ? 90  SER B CA  1 
ATOM   729  C  C   . SER A 1 84  ? -30.713 -20.276 -34.806 1.00 13.77 ? 90  SER B C   1 
ATOM   730  O  O   . SER A 1 84  ? -31.620 -21.013 -35.146 1.00 15.51 ? 90  SER B O   1 
ATOM   731  C  CB  . SER A 1 84  ? -28.989 -21.573 -36.148 1.00 17.41 ? 90  SER B CB  1 
ATOM   732  O  OG  . SER A 1 84  ? -28.521 -22.345 -35.113 1.00 18.86 ? 90  SER B OG  1 
ATOM   733  N  N   . VAL A 1 85  ? -30.755 -19.625 -33.630 1.00 12.98 ? 91  VAL B N   1 
ATOM   734  C  CA  . VAL A 1 85  ? -31.993 -19.686 -32.806 1.00 13.26 ? 91  VAL B CA  1 
ATOM   735  C  C   . VAL A 1 85  ? -33.209 -19.200 -33.595 1.00 13.29 ? 91  VAL B C   1 
ATOM   736  O  O   . VAL A 1 85  ? -33.098 -18.291 -34.438 1.00 13.85 ? 91  VAL B O   1 
ATOM   737  C  CB  . VAL A 1 85  ? -31.906 -18.947 -31.451 1.00 13.05 ? 91  VAL B CB  1 
ATOM   738  C  CG1 . VAL A 1 85  ? -30.880 -19.605 -30.551 1.00 12.48 ? 91  VAL B CG1 1 
ATOM   739  C  CG2 . VAL A 1 85  ? -31.689 -17.475 -31.606 1.00 12.10 ? 91  VAL B CG2 1 
ATOM   740  N  N   . GLN A 1 86  ? -34.319 -19.825 -33.276 1.00 14.34 ? 92  GLN B N   1 
ATOM   741  C  CA  . GLN A 1 86  ? -35.672 -19.374 -33.739 1.00 15.21 ? 92  GLN B CA  1 
ATOM   742  C  C   . GLN A 1 86  ? -35.863 -17.882 -33.429 1.00 14.55 ? 92  GLN B C   1 
ATOM   743  O  O   . GLN A 1 86  ? -35.582 -17.433 -32.320 1.00 14.92 ? 92  GLN B O   1 
ATOM   744  C  CB  . GLN A 1 86  ? -36.701 -20.250 -33.027 1.00 17.67 ? 92  GLN B CB  1 
ATOM   745  C  CG  . GLN A 1 86  ? -38.183 -19.939 -33.272 1.00 20.38 ? 92  GLN B CG  1 
ATOM   746  C  CD  . GLN A 1 86  ? -39.082 -20.789 -32.382 1.00 23.31 ? 92  GLN B CD  1 
ATOM   747  O  OE1 . GLN A 1 86  ? -38.679 -21.806 -31.783 1.00 24.94 ? 92  GLN B OE1 1 
ATOM   748  N  NE2 . GLN A 1 86  ? -40.347 -20.393 -32.258 1.00 24.21 ? 92  GLN B NE2 1 
ATOM   749  N  N   . ARG A 1 87  ? -36.453 -17.153 -34.374 1.00 13.61 ? 93  ARG B N   1 
ATOM   750  C  CA  . ARG A 1 87  ? -36.733 -15.689 -34.251 1.00 13.05 ? 93  ARG B CA  1 
ATOM   751  C  C   . ARG A 1 87  ? -38.241 -15.452 -34.123 1.00 14.32 ? 93  ARG B C   1 
ATOM   752  O  O   . ARG A 1 87  ? -38.609 -14.452 -33.516 1.00 14.44 ? 93  ARG B O   1 
ATOM   753  C  CB  . ARG A 1 87  ? -36.205 -14.890 -35.425 1.00 14.22 ? 93  ARG B CB  1 
ATOM   754  C  CG  . ARG A 1 87  ? -34.739 -15.113 -35.757 1.00 13.35 ? 93  ARG B CG  1 
ATOM   755  C  CD  . ARG A 1 87  ? -33.823 -14.866 -34.537 1.00 13.77 ? 93  ARG B CD  1 
ATOM   756  N  NE  . ARG A 1 87  ? -32.446 -15.329 -34.849 1.00 14.42 ? 93  ARG B NE  1 
ATOM   757  C  CZ  . ARG A 1 87  ? -31.530 -14.637 -35.479 1.00 14.66 ? 93  ARG B CZ  1 
ATOM   758  N  NH1 . ARG A 1 87  ? -31.782 -13.419 -35.878 1.00 16.43 ? 93  ARG B NH1 1 
ATOM   759  N  NH2 . ARG A 1 87  ? -30.357 -15.181 -35.757 1.00 17.25 ? 93  ARG B NH2 1 
ATOM   760  N  N   . LYS A 1 88  ? -39.093 -16.302 -34.707 1.00 14.95 ? 94  LYS B N   1 
ATOM   761  C  CA  . LYS A 1 88  ? -40.548 -16.010 -34.834 1.00 15.03 ? 94  LYS B CA  1 
ATOM   762  C  C   . LYS A 1 88  ? -41.366 -16.903 -33.931 1.00 16.72 ? 94  LYS B C   1 
ATOM   763  O  O   . LYS A 1 88  ? -41.013 -18.107 -33.798 1.00 19.38 ? 94  LYS B O   1 
ATOM   764  C  CB  . LYS A 1 88  ? -40.979 -16.201 -36.285 1.00 15.67 ? 94  LYS B CB  1 
ATOM   765  C  CG  . LYS A 1 88  ? -40.143 -15.473 -37.304 1.00 17.42 ? 94  LYS B CG  1 
ATOM   766  C  CD  . LYS A 1 88  ? -40.069 -13.960 -37.097 1.00 18.67 ? 94  LYS B CD  1 
ATOM   767  C  CE  . LYS A 1 88  ? -39.294 -13.298 -38.198 1.00 18.34 ? 94  LYS B CE  1 
ATOM   768  N  NZ  . LYS A 1 88  ? -39.161 -11.828 -38.021 1.00 18.27 ? 94  LYS B NZ  1 
ATOM   769  N  N   . GLY A 1 89  ? -42.435 -16.389 -33.356 1.00 17.20 ? 95  GLY B N   1 
ATOM   770  C  CA  . GLY A 1 89  ? -43.303 -17.197 -32.512 1.00 17.67 ? 95  GLY B CA  1 
ATOM   771  C  C   . GLY A 1 89  ? -42.811 -17.340 -31.099 1.00 19.24 ? 95  GLY B C   1 
ATOM   772  O  O   . GLY A 1 89  ? -41.834 -16.587 -30.682 1.00 17.63 ? 95  GLY B O   1 
ATOM   773  N  N   . GLN A 1 90  ? -43.455 -18.258 -30.385 1.00 19.25 ? 96  GLN B N   1 
ATOM   774  C  CA  . GLN A 1 90  ? -43.215 -18.503 -28.959 1.00 21.29 ? 96  GLN B CA  1 
ATOM   775  C  C   . GLN A 1 90  ? -42.138 -19.577 -28.807 1.00 20.02 ? 96  GLN B C   1 
ATOM   776  O  O   . GLN A 1 90  ? -42.048 -20.511 -29.639 1.00 21.72 ? 96  GLN B O   1 
ATOM   777  C  CB  . GLN A 1 90  ? -44.509 -18.937 -28.257 1.00 25.30 ? 96  GLN B CB  1 
ATOM   778  C  CG  . GLN A 1 90  ? -45.594 -17.888 -28.313 1.00 32.43 ? 96  GLN B CG  1 
ATOM   779  C  CD  . GLN A 1 90  ? -46.910 -18.516 -27.953 1.00 43.41 ? 96  GLN B CD  1 
ATOM   780  O  OE1 . GLN A 1 90  ? -47.177 -18.785 -26.781 1.00 57.66 ? 96  GLN B OE1 1 
ATOM   781  N  NE2 . GLN A 1 90  ? -47.712 -18.803 -28.970 1.00 47.25 ? 96  GLN B NE2 1 
ATOM   782  N  N   . PHE A 1 91  ? -41.270 -19.375 -27.826 1.00 17.65 ? 97  PHE B N   1 
ATOM   783  C  CA  . PHE A 1 91  ? -40.227 -20.350 -27.446 1.00 17.71 ? 97  PHE B CA  1 
ATOM   784  C  C   . PHE A 1 91  ? -39.734 -20.065 -26.027 1.00 17.01 ? 97  PHE B C   1 
ATOM   785  O  O   . PHE A 1 91  ? -39.868 -18.944 -25.501 1.00 18.80 ? 97  PHE B O   1 
ATOM   786  C  CB  . PHE A 1 91  ? -39.059 -20.308 -28.430 1.00 16.58 ? 97  PHE B CB  1 
ATOM   787  C  CG  . PHE A 1 91  ? -38.429 -18.942 -28.555 1.00 15.90 ? 97  PHE B CG  1 
ATOM   788  C  CD1 . PHE A 1 91  ? -37.402 -18.555 -27.706 1.00 16.34 ? 97  PHE B CD1 1 
ATOM   789  C  CD2 . PHE A 1 91  ? -38.773 -18.092 -29.585 1.00 16.16 ? 97  PHE B CD2 1 
ATOM   790  C  CE1 . PHE A 1 91  ? -36.788 -17.318 -27.842 1.00 15.46 ? 97  PHE B CE1 1 
ATOM   791  C  CE2 . PHE A 1 91  ? -38.142 -16.870 -29.744 1.00 14.44 ? 97  PHE B CE2 1 
ATOM   792  C  CZ  . PHE A 1 91  ? -37.148 -16.490 -28.865 1.00 15.54 ? 97  PHE B CZ  1 
ATOM   793  N  N   A SER A 1 92  ? -39.174 -21.079 -25.371 0.25 17.59 ? 98  SER B N   1 
ATOM   794  N  N   B SER A 1 92  ? -39.151 -21.101 -25.419 0.25 16.85 ? 98  SER B N   1 
ATOM   795  C  CA  A SER A 1 92  ? -38.545 -20.897 -24.041 0.25 17.71 ? 98  SER B CA  1 
ATOM   796  C  CA  B SER A 1 92  ? -38.506 -21.049 -24.086 0.25 16.57 ? 98  SER B CA  1 
ATOM   797  C  C   A SER A 1 92  ? -37.030 -20.777 -24.206 0.25 16.16 ? 98  SER B C   1 
ATOM   798  C  C   B SER A 1 92  ? -37.009 -20.756 -24.251 0.25 15.49 ? 98  SER B C   1 
ATOM   799  O  O   A SER A 1 92  ? -36.449 -21.364 -25.144 0.25 15.84 ? 98  SER B O   1 
ATOM   800  O  O   B SER A 1 92  ? -36.411 -21.192 -25.273 0.25 15.11 ? 98  SER B O   1 
ATOM   801  C  CB  A SER A 1 92  ? -38.883 -21.992 -23.085 0.25 20.40 ? 98  SER B CB  1 
ATOM   802  C  CB  B SER A 1 92  ? -38.721 -22.331 -23.323 0.25 18.12 ? 98  SER B CB  1 
ATOM   803  O  OG  A SER A 1 92  ? -38.488 -23.233 -23.631 0.25 23.46 ? 98  SER B OG  1 
ATOM   804  O  OG  B SER A 1 92  ? -40.107 -22.527 -23.045 0.25 19.39 ? 98  SER B OG  1 
ATOM   805  N  N   . LEU A 1 93  ? -36.428 -20.037 -23.290 1.00 14.78 ? 99  LEU B N   1 
ATOM   806  C  CA  . LEU A 1 93  ? -34.976 -19.868 -23.224 1.00 15.40 ? 99  LEU B CA  1 
ATOM   807  C  C   . LEU A 1 93  ? -34.391 -21.071 -22.528 1.00 15.03 ? 99  LEU B C   1 
ATOM   808  O  O   . LEU A 1 93  ? -34.479 -21.224 -21.318 1.00 17.68 ? 99  LEU B O   1 
ATOM   809  C  CB  . LEU A 1 93  ? -34.619 -18.595 -22.465 1.00 15.64 ? 99  LEU B CB  1 
ATOM   810  C  CG  . LEU A 1 93  ? -35.084 -17.295 -23.120 1.00 15.97 ? 99  LEU B CG  1 
ATOM   811  C  CD1 . LEU A 1 93  ? -34.752 -16.102 -22.236 1.00 17.89 ? 99  LEU B CD1 1 
ATOM   812  C  CD2 . LEU A 1 93  ? -34.492 -17.088 -24.495 1.00 18.26 ? 99  LEU B CD2 1 
ATOM   813  N  N   . SER A 1 94  ? -33.712 -21.949 -23.269 1.00 14.77 ? 100 SER B N   1 
ATOM   814  C  CA  . SER A 1 94  ? -33.111 -23.179 -22.729 1.00 14.61 ? 100 SER B CA  1 
ATOM   815  C  C   . SER A 1 94  ? -31.911 -23.529 -23.575 1.00 12.65 ? 100 SER B C   1 
ATOM   816  O  O   . SER A 1 94  ? -31.888 -23.200 -24.771 1.00 12.42 ? 100 SER B O   1 
ATOM   817  C  CB  . SER A 1 94  ? -34.046 -24.379 -22.738 1.00 16.27 ? 100 SER B CB  1 
ATOM   818  O  OG  . SER A 1 94  ? -34.405 -24.686 -24.081 1.00 19.17 ? 100 SER B OG  1 
ATOM   819  N  N   . PRO A 1 95  ? -30.975 -24.298 -23.047 1.00 11.91 ? 101 PRO B N   1 
ATOM   820  C  CA  . PRO A 1 95  ? -29.860 -24.793 -23.858 1.00 13.39 ? 101 PRO B CA  1 
ATOM   821  C  C   . PRO A 1 95  ? -30.341 -25.689 -25.003 1.00 13.17 ? 101 PRO B C   1 
ATOM   822  O  O   . PRO A 1 95  ? -29.763 -25.590 -26.129 1.00 13.83 ? 101 PRO B O   1 
ATOM   823  C  CB  . PRO A 1 95  ? -28.948 -25.557 -22.878 1.00 13.85 ? 101 PRO B CB  1 
ATOM   824  C  CG  . PRO A 1 95  ? -29.245 -24.836 -21.554 1.00 14.22 ? 101 PRO B CG  1 
ATOM   825  C  CD  . PRO A 1 95  ? -30.730 -24.562 -21.627 1.00 13.56 ? 101 PRO B CD  1 
ATOM   826  N  N   . GLU A 1 96  ? -31.430 -26.436 -24.810 1.00 14.76 ? 102 GLU B N   1 
ATOM   827  C  CA  . GLU A 1 96  ? -31.979 -27.271 -25.911 1.00 17.37 ? 102 GLU B CA  1 
ATOM   828  C  C   . GLU A 1 96  ? -32.393 -26.393 -27.091 1.00 16.72 ? 102 GLU B C   1 
ATOM   829  O  O   . GLU A 1 96  ? -32.323 -26.827 -28.266 1.00 17.89 ? 102 GLU B O   1 
ATOM   830  C  CB  . GLU A 1 96  ? -33.128 -28.129 -25.392 1.00 22.36 ? 102 GLU B CB  1 
ATOM   831  C  CG  . GLU A 1 96  ? -32.735 -28.976 -24.191 1.00 32.96 ? 102 GLU B CG  1 
ATOM   832  C  CD  . GLU A 1 96  ? -33.140 -28.438 -22.817 1.00 41.52 ? 102 GLU B CD  1 
ATOM   833  O  OE1 . GLU A 1 96  ? -32.393 -27.573 -22.220 1.00 25.44 ? 102 GLU B OE1 1 
ATOM   834  O  OE2 . GLU A 1 96  ? -34.203 -28.916 -22.315 1.00 47.66 ? 102 GLU B OE2 1 
ATOM   835  N  N   . ASN A 1 97  ? -32.870 -25.170 -26.851 1.00 14.18 ? 103 ASN B N   1 
ATOM   836  C  CA  . ASN A 1 97  ? -33.282 -24.245 -27.920 1.00 14.45 ? 103 ASN B CA  1 
ATOM   837  C  C   . ASN A 1 97  ? -32.133 -23.311 -28.322 1.00 13.09 ? 103 ASN B C   1 
ATOM   838  O  O   . ASN A 1 97  ? -32.334 -22.472 -29.204 1.00 14.39 ? 103 ASN B O   1 
ATOM   839  C  CB  . ASN A 1 97  ? -34.496 -23.411 -27.481 1.00 15.62 ? 103 ASN B CB  1 
ATOM   840  C  CG  . ASN A 1 97  ? -35.784 -24.193 -27.454 1.00 17.99 ? 103 ASN B CG  1 
ATOM   841  O  OD1 . ASN A 1 97  ? -35.900 -25.262 -28.085 1.00 20.81 ? 103 ASN B OD1 1 
ATOM   842  N  ND2 . ASN A 1 97  ? -36.751 -23.705 -26.685 1.00 19.21 ? 103 ASN B ND2 1 
ATOM   843  N  N   . GLY A 1 98  ? -30.921 -23.492 -27.801 1.00 11.66 ? 104 GLY B N   1 
ATOM   844  C  CA  . GLY A 1 98  ? -29.770 -22.695 -28.220 1.00 10.79 ? 104 GLY B CA  1 
ATOM   845  C  C   . GLY A 1 98  ? -29.499 -21.413 -27.457 1.00 10.34 ? 104 GLY B C   1 
ATOM   846  O  O   . GLY A 1 98  ? -28.857 -20.530 -27.953 1.00 11.12 ? 104 GLY B O   1 
ATOM   847  N  N   . PHE A 1 99  ? -29.945 -21.363 -26.184 1.00 10.80 ? 105 PHE B N   1 
ATOM   848  C  CA  . PHE A 1 99  ? -29.732 -20.167 -25.322 1.00 10.59 ? 105 PHE B CA  1 
ATOM   849  C  C   . PHE A 1 99  ? -29.033 -20.523 -24.006 1.00 9.81  ? 105 PHE B C   1 
ATOM   850  O  O   . PHE A 1 99  ? -29.488 -21.534 -23.367 1.00 11.38 ? 105 PHE B O   1 
ATOM   851  C  CB  . PHE A 1 99  ? -31.079 -19.487 -24.983 1.00 10.77 ? 105 PHE B CB  1 
ATOM   852  C  CG  . PHE A 1 99  ? -31.903 -19.014 -26.167 1.00 10.61 ? 105 PHE B CG  1 
ATOM   853  C  CD1 . PHE A 1 99  ? -32.810 -19.843 -26.791 1.00 11.34 ? 105 PHE B CD1 1 
ATOM   854  C  CD2 . PHE A 1 99  ? -31.760 -17.726 -26.612 1.00 11.09 ? 105 PHE B CD2 1 
ATOM   855  C  CE1 . PHE A 1 99  ? -33.553 -19.377 -27.875 1.00 11.92 ? 105 PHE B CE1 1 
ATOM   856  C  CE2 . PHE A 1 99  ? -32.485 -17.281 -27.693 1.00 11.94 ? 105 PHE B CE2 1 
ATOM   857  C  CZ  . PHE A 1 99  ? -33.387 -18.094 -28.294 1.00 11.30 ? 105 PHE B CZ  1 
ATOM   858  N  N   . TRP A 1 100 ? -28.088 -19.687 -23.591 1.00 9.13  ? 106 TRP B N   1 
ATOM   859  C  CA  . TRP A 1 100 ? -27.421 -19.797 -22.279 1.00 9.50  ? 106 TRP B CA  1 
ATOM   860  C  C   . TRP A 1 100 ? -27.587 -18.441 -21.604 1.00 9.06  ? 106 TRP B C   1 
ATOM   861  O  O   . TRP A 1 100 ? -26.839 -17.512 -21.920 1.00 9.30  ? 106 TRP B O   1 
ATOM   862  C  CB  . TRP A 1 100 ? -25.955 -20.255 -22.434 1.00 9.63  ? 106 TRP B CB  1 
ATOM   863  C  CG  . TRP A 1 100 ? -25.870 -21.629 -23.044 1.00 9.88  ? 106 TRP B CG  1 
ATOM   864  C  CD1 . TRP A 1 100 ? -25.789 -22.834 -22.398 1.00 11.70 ? 106 TRP B CD1 1 
ATOM   865  C  CD2 . TRP A 1 100 ? -25.883 -21.935 -24.462 1.00 10.50 ? 106 TRP B CD2 1 
ATOM   866  N  NE1 . TRP A 1 100 ? -25.815 -23.873 -23.330 1.00 11.42 ? 106 TRP B NE1 1 
ATOM   867  C  CE2 . TRP A 1 100 ? -25.885 -23.343 -24.583 1.00 11.53 ? 106 TRP B CE2 1 
ATOM   868  C  CE3 . TRP A 1 100 ? -25.952 -21.158 -25.616 1.00 10.95 ? 106 TRP B CE3 1 
ATOM   869  C  CZ2 . TRP A 1 100 ? -25.936 -23.967 -25.837 1.00 12.25 ? 106 TRP B CZ2 1 
ATOM   870  C  CZ3 . TRP A 1 100 ? -25.977 -21.787 -26.856 1.00 12.78 ? 106 TRP B CZ3 1 
ATOM   871  C  CH2 . TRP A 1 100 ? -26.006 -23.160 -26.944 1.00 12.35 ? 106 TRP B CH2 1 
ATOM   872  N  N   . THR A 1 101 ? -28.580 -18.343 -20.708 1.00 9.95  ? 107 THR B N   1 
ATOM   873  C  CA  . THR A 1 101 ? -29.087 -17.030 -20.234 1.00 9.71  ? 107 THR B CA  1 
ATOM   874  C  C   . THR A 1 101 ? -29.402 -17.104 -18.731 1.00 9.21  ? 107 THR B C   1 
ATOM   875  O  O   . THR A 1 101 ? -29.690 -18.185 -18.190 1.00 9.77  ? 107 THR B O   1 
ATOM   876  C  CB  . THR A 1 101 ? -30.344 -16.565 -20.980 1.00 10.01 ? 107 THR B CB  1 
ATOM   877  O  OG1 . THR A 1 101 ? -31.385 -17.504 -20.776 1.00 11.29 ? 107 THR B OG1 1 
ATOM   878  C  CG2 . THR A 1 101 ? -30.036 -16.362 -22.453 1.00 10.72 ? 107 THR B CG2 1 
ATOM   879  N  N   . ILE A 1 102 ? -29.452 -15.913 -18.136 1.00 10.10 ? 108 ILE B N   1 
ATOM   880  C  CA  . ILE A 1 102 ? -30.075 -15.692 -16.783 1.00 9.98  ? 108 ILE B CA  1 
ATOM   881  C  C   . ILE A 1 102 ? -31.100 -14.578 -16.972 1.00 10.19 ? 108 ILE B C   1 
ATOM   882  O  O   . ILE A 1 102 ? -31.021 -13.812 -17.980 1.00 10.00 ? 108 ILE B O   1 
ATOM   883  C  CB  . ILE A 1 102 ? -29.054 -15.392 -15.660 1.00 10.04 ? 108 ILE B CB  1 
ATOM   884  C  CG1 . ILE A 1 102 ? -28.363 -14.043 -15.847 1.00 11.04 ? 108 ILE B CG1 1 
ATOM   885  C  CG2 . ILE A 1 102 ? -28.049 -16.527 -15.571 1.00 11.17 ? 108 ILE B CG2 1 
ATOM   886  C  CD1 . ILE A 1 102 ? -27.524 -13.583 -14.684 1.00 11.52 ? 108 ILE B CD1 1 
ATOM   887  N  N   . TRP A 1 103 ? -31.952 -14.421 -15.986 1.00 9.95  ? 109 TRP B N   1 
ATOM   888  C  CA  . TRP A 1 103 ? -32.972 -13.363 -16.048 1.00 10.49 ? 109 TRP B CA  1 
ATOM   889  C  C   . TRP A 1 103 ? -33.386 -12.914 -14.671 1.00 11.40 ? 109 TRP B C   1 
ATOM   890  O  O   . TRP A 1 103 ? -33.216 -13.588 -13.652 1.00 11.41 ? 109 TRP B O   1 
ATOM   891  C  CB  . TRP A 1 103 ? -34.162 -13.753 -16.854 1.00 13.78 ? 109 TRP B CB  1 
ATOM   892  C  CG  . TRP A 1 103 ? -34.938 -14.892 -16.340 1.00 14.96 ? 109 TRP B CG  1 
ATOM   893  C  CD1 . TRP A 1 103 ? -35.784 -14.889 -15.260 1.00 15.37 ? 109 TRP B CD1 1 
ATOM   894  C  CD2 . TRP A 1 103 ? -35.082 -16.141 -16.981 1.00 16.28 ? 109 TRP B CD2 1 
ATOM   895  N  NE1 . TRP A 1 103 ? -36.468 -16.055 -15.216 1.00 19.22 ? 109 TRP B NE1 1 
ATOM   896  C  CE2 . TRP A 1 103 ? -36.053 -16.851 -16.247 1.00 16.04 ? 109 TRP B CE2 1 
ATOM   897  C  CE3 . TRP A 1 103 ? -34.495 -16.711 -18.107 1.00 16.92 ? 109 TRP B CE3 1 
ATOM   898  C  CZ2 . TRP A 1 103 ? -36.419 -18.151 -16.574 1.00 20.05 ? 109 TRP B CZ2 1 
ATOM   899  C  CZ3 . TRP A 1 103 ? -34.903 -17.971 -18.462 1.00 19.10 ? 109 TRP B CZ3 1 
ATOM   900  C  CH2 . TRP A 1 103 ? -35.844 -18.660 -17.715 1.00 19.06 ? 109 TRP B CH2 1 
ATOM   901  N  N   . LEU A 1 104 ? -33.980 -11.698 -14.684 1.00 10.99 ? 110 LEU B N   1 
ATOM   902  C  CA  . LEU A 1 104 ? -34.764 -11.144 -13.556 1.00 11.27 ? 110 LEU B CA  1 
ATOM   903  C  C   . LEU A 1 104 ? -36.225 -11.120 -13.975 1.00 10.79 ? 110 LEU B C   1 
ATOM   904  O  O   . LEU A 1 104 ? -36.522 -10.645 -15.062 1.00 10.82 ? 110 LEU B O   1 
ATOM   905  C  CB  . LEU A 1 104 ? -34.310 -9.728  -13.260 1.00 11.28 ? 110 LEU B CB  1 
ATOM   906  C  CG  . LEU A 1 104 ? -35.144 -8.965  -12.228 1.00 11.66 ? 110 LEU B CG  1 
ATOM   907  C  CD1 . LEU A 1 104 ? -35.159 -9.638  -10.863 1.00 12.68 ? 110 LEU B CD1 1 
ATOM   908  C  CD2 . LEU A 1 104 ? -34.672 -7.535  -12.091 1.00 13.25 ? 110 LEU B CD2 1 
ATOM   909  N  N   . TRP A 1 105 ? -37.118 -11.589 -13.101 1.00 12.16 ? 111 TRP B N   1 
ATOM   910  C  CA  . TRP A 1 105 ? -38.563 -11.577 -13.360 1.00 12.81 ? 111 TRP B CA  1 
ATOM   911  C  C   . TRP A 1 105 ? -39.281 -11.629 -12.021 1.00 14.14 ? 111 TRP B C   1 
ATOM   912  O  O   . TRP A 1 105 ? -38.990 -12.521 -11.210 1.00 14.61 ? 111 TRP B O   1 
ATOM   913  C  CB  . TRP A 1 105 ? -38.910 -12.792 -14.204 1.00 16.81 ? 111 TRP B CB  1 
ATOM   914  C  CG  . TRP A 1 105 ? -40.352 -13.041 -14.330 1.00 21.07 ? 111 TRP B CG  1 
ATOM   915  C  CD1 . TRP A 1 105 ? -41.115 -14.042 -13.782 1.00 22.45 ? 111 TRP B CD1 1 
ATOM   916  C  CD2 . TRP A 1 105 ? -41.209 -12.222 -15.119 1.00 20.29 ? 111 TRP B CD2 1 
ATOM   917  N  NE1 . TRP A 1 105 ? -42.397 -13.884 -14.192 1.00 22.35 ? 111 TRP B NE1 1 
ATOM   918  C  CE2 . TRP A 1 105 ? -42.487 -12.796 -15.013 1.00 18.58 ? 111 TRP B CE2 1 
ATOM   919  C  CE3 . TRP A 1 105 ? -41.032 -11.104 -15.928 1.00 19.58 ? 111 TRP B CE3 1 
ATOM   920  C  CZ2 . TRP A 1 105 ? -43.597 -12.290 -15.670 1.00 25.15 ? 111 TRP B CZ2 1 
ATOM   921  C  CZ3 . TRP A 1 105 ? -42.138 -10.578 -16.560 1.00 25.85 ? 111 TRP B CZ3 1 
ATOM   922  C  CH2 . TRP A 1 105 ? -43.406 -11.140 -16.407 1.00 23.84 ? 111 TRP B CH2 1 
ATOM   923  N  N   . GLN A 1 106 ? -40.196 -10.668 -11.778 1.00 13.47 ? 112 GLN B N   1 
ATOM   924  C  CA  . GLN A 1 106 ? -41.018 -10.677 -10.532 1.00 13.19 ? 112 GLN B CA  1 
ATOM   925  C  C   . GLN A 1 106 ? -40.151 -10.869 -9.316  1.00 14.61 ? 112 GLN B C   1 
ATOM   926  O  O   . GLN A 1 106 ? -40.500 -11.746 -8.436  1.00 16.17 ? 112 GLN B O   1 
ATOM   927  C  CB  . GLN A 1 106 ? -42.112 -11.730 -10.684 1.00 15.35 ? 112 GLN B CB  1 
ATOM   928  C  CG  . GLN A 1 106 ? -43.033 -11.390 -11.848 1.00 16.34 ? 112 GLN B CG  1 
ATOM   929  C  CD  . GLN A 1 106 ? -44.311 -12.189 -11.917 1.00 19.01 ? 112 GLN B CD  1 
ATOM   930  O  OE1 . GLN A 1 106 ? -45.264 -11.826 -12.650 1.00 22.80 ? 112 GLN B OE1 1 
ATOM   931  N  NE2 . GLN A 1 106 ? -44.357 -13.283 -11.172 1.00 17.10 ? 112 GLN B NE2 1 
ATOM   932  N  N   . ASP A 1 107 ? -39.118 -10.074 -9.195  1.00 15.44 ? 113 ASP B N   1 
ATOM   933  C  CA  . ASP A 1 107 ? -38.325 -9.981  -7.963  1.00 18.73 ? 113 ASP B CA  1 
ATOM   934  C  C   . ASP A 1 107 ? -37.539 -11.275 -7.677  1.00 20.03 ? 113 ASP B C   1 
ATOM   935  O  O   . ASP A 1 107 ? -37.001 -11.379 -6.557  1.00 28.11 ? 113 ASP B O   1 
ATOM   936  C  CB  . ASP A 1 107 ? -39.311 -9.732  -6.814  1.00 23.37 ? 113 ASP B CB  1 
ATOM   937  C  CG  . ASP A 1 107 ? -38.707 -9.103  -5.610  1.00 29.49 ? 113 ASP B CG  1 
ATOM   938  O  OD1 . ASP A 1 107 ? -37.772 -8.265  -5.771  1.00 33.63 ? 113 ASP B OD1 1 
ATOM   939  O  OD2 . ASP A 1 107 ? -39.237 -9.407  -4.498  1.00 37.36 ? 113 ASP B OD2 1 
ATOM   940  N  N   . SER A 1 108 ? -37.355 -12.153 -8.654  1.00 15.68 ? 114 SER B N   1 
ATOM   941  C  CA  . SER A 1 108 ? -36.424 -13.305 -8.501  1.00 17.11 ? 114 SER B CA  1 
ATOM   942  C  C   . SER A 1 108 ? -35.502 -13.404 -9.710  1.00 14.72 ? 114 SER B C   1 
ATOM   943  O  O   . SER A 1 108 ? -35.872 -13.091 -10.873 1.00 14.59 ? 114 SER B O   1 
ATOM   944  C  CB  . SER A 1 108 ? -37.189 -14.540 -8.165  1.00 22.54 ? 114 SER B CB  1 
ATOM   945  O  OG  . SER A 1 108 ? -37.853 -15.073 -9.280  1.00 30.65 ? 114 SER B OG  1 
ATOM   946  N  N   . TYR A 1 109 ? -34.312 -13.911 -9.463  1.00 12.68 ? 115 TYR B N   1 
ATOM   947  C  CA  . TYR A 1 109 ? -33.294 -14.187 -10.505 1.00 12.47 ? 115 TYR B CA  1 
ATOM   948  C  C   . TYR A 1 109 ? -33.263 -15.680 -10.763 1.00 12.02 ? 115 TYR B C   1 
ATOM   949  O  O   . TYR A 1 109 ? -33.262 -16.481 -9.804  1.00 13.26 ? 115 TYR B O   1 
ATOM   950  C  CB  . TYR A 1 109 ? -31.956 -13.671 -10.038 1.00 12.51 ? 115 TYR B CB  1 
ATOM   951  C  CG  . TYR A 1 109 ? -31.904 -12.168 -9.799  1.00 12.51 ? 115 TYR B CG  1 
ATOM   952  C  CD1 . TYR A 1 109 ? -32.132 -11.628 -8.548  1.00 13.35 ? 115 TYR B CD1 1 
ATOM   953  C  CD2 . TYR A 1 109 ? -31.530 -11.304 -10.814 1.00 12.00 ? 115 TYR B CD2 1 
ATOM   954  C  CE1 . TYR A 1 109 ? -32.004 -10.264 -8.319  1.00 14.53 ? 115 TYR B CE1 1 
ATOM   955  C  CE2 . TYR A 1 109 ? -31.449 -9.937  -10.606 1.00 12.63 ? 115 TYR B CE2 1 
ATOM   956  C  CZ  . TYR A 1 109 ? -31.705 -9.424  -9.354  1.00 13.56 ? 115 TYR B CZ  1 
ATOM   957  O  OH  . TYR A 1 109 ? -31.633 -8.077  -9.128  1.00 14.47 ? 115 TYR B OH  1 
ATOM   958  N  N   A GLU A 1 110 ? -33.257 -16.088 -12.038 0.25 11.65 ? 116 GLU B N   1 
ATOM   959  N  N   B GLU A 1 110 ? -33.257 -16.069 -12.042 0.25 11.75 ? 116 GLU B N   1 
ATOM   960  C  CA  A GLU A 1 110 ? -33.245 -17.529 -12.420 0.25 12.27 ? 116 GLU B CA  1 
ATOM   961  C  CA  B GLU A 1 110 ? -33.259 -17.496 -12.468 0.25 12.45 ? 116 GLU B CA  1 
ATOM   962  C  C   A GLU A 1 110 ? -32.333 -17.757 -13.630 0.25 10.79 ? 116 GLU B C   1 
ATOM   963  C  C   B GLU A 1 110 ? -32.213 -17.696 -13.573 0.25 10.76 ? 116 GLU B C   1 
ATOM   964  O  O   A GLU A 1 110 ? -32.265 -16.895 -14.507 0.25 10.86 ? 116 GLU B O   1 
ATOM   965  O  O   B GLU A 1 110 ? -31.871 -16.715 -14.280 0.25 10.39 ? 116 GLU B O   1 
ATOM   966  C  CB  A GLU A 1 110 ? -34.650 -18.030 -12.727 0.25 13.68 ? 116 GLU B CB  1 
ATOM   967  C  CB  B GLU A 1 110 ? -34.647 -17.913 -12.940 0.25 14.11 ? 116 GLU B CB  1 
ATOM   968  C  CG  A GLU A 1 110 ? -35.587 -17.989 -11.520 0.25 15.21 ? 116 GLU B CG  1 
ATOM   969  C  CG  B GLU A 1 110 ? -35.750 -17.683 -11.903 0.25 16.38 ? 116 GLU B CG  1 
ATOM   970  C  CD  A GLU A 1 110 ? -37.039 -18.262 -11.870 0.25 17.28 ? 116 GLU B CD  1 
ATOM   971  C  CD  B GLU A 1 110 ? -35.978 -18.836 -10.934 0.25 18.16 ? 116 GLU B CD  1 
ATOM   972  O  OE1 A GLU A 1 110 ? -37.473 -17.853 -12.959 0.25 18.94 ? 116 GLU B OE1 1 
ATOM   973  O  OE1 B GLU A 1 110 ? -35.432 -19.929 -11.155 0.25 22.13 ? 116 GLU B OE1 1 
ATOM   974  O  OE2 A GLU A 1 110 ? -37.736 -18.883 -11.055 0.25 17.45 ? 116 GLU B OE2 1 
ATOM   975  O  OE2 B GLU A 1 110 ? -36.759 -18.648 -9.988  0.25 24.47 ? 116 GLU B OE2 1 
ATOM   976  N  N   . ALA A 1 111 ? -31.684 -18.921 -13.683 1.00 10.85 ? 117 ALA B N   1 
ATOM   977  C  CA  . ALA A 1 111 ? -30.948 -19.337 -14.881 1.00 10.85 ? 117 ALA B CA  1 
ATOM   978  C  C   . ALA A 1 111 ? -31.901 -20.067 -15.811 1.00 11.37 ? 117 ALA B C   1 
ATOM   979  O  O   . ALA A 1 111 ? -32.757 -20.883 -15.388 1.00 11.64 ? 117 ALA B O   1 
ATOM   980  C  CB  . ALA A 1 111 ? -29.772 -20.227 -14.502 1.00 11.36 ? 117 ALA B CB  1 
ATOM   981  N  N   . GLY A 1 112 ? -31.732 -19.811 -17.123 1.00 11.52 ? 118 GLY B N   1 
ATOM   982  C  CA  . GLY A 1 112 ? -32.538 -20.403 -18.210 1.00 12.61 ? 118 GLY B CA  1 
ATOM   983  C  C   . GLY A 1 112 ? -32.189 -21.844 -18.516 1.00 13.11 ? 118 GLY B C   1 
ATOM   984  O  O   . GLY A 1 112 ? -31.854 -22.193 -19.610 1.00 15.64 ? 118 GLY B O   1 
ATOM   985  N  N   . THR A 1 113 ? -32.193 -22.713 -17.535 1.00 15.64 ? 119 THR B N   1 
ATOM   986  C  CA  . THR A 1 113 ? -32.234 -24.165 -17.740 1.00 16.93 ? 119 THR B CA  1 
ATOM   987  C  C   . THR A 1 113 ? -33.671 -24.626 -17.973 1.00 16.40 ? 119 THR B C   1 
ATOM   988  O  O   . THR A 1 113 ? -34.589 -23.843 -17.798 1.00 20.08 ? 119 THR B O   1 
ATOM   989  C  CB  . THR A 1 113 ? -31.583 -24.801 -16.529 1.00 14.21 ? 119 THR B CB  1 
ATOM   990  O  OG1 . THR A 1 113 ? -32.243 -24.348 -15.325 1.00 14.51 ? 119 THR B OG1 1 
ATOM   991  C  CG2 . THR A 1 113 ? -30.122 -24.528 -16.361 1.00 16.45 ? 119 THR B CG2 1 
ATOM   992  N  N   . SER A 1 114 ? -33.866 -25.908 -18.314 1.00 20.46 ? 120 SER B N   1 
ATOM   993  C  CA  . SER A 1 114 ? -35.219 -26.470 -18.490 1.00 24.17 ? 120 SER B CA  1 
ATOM   994  C  C   . SER A 1 114 ? -35.384 -27.663 -17.544 1.00 24.59 ? 120 SER B C   1 
ATOM   995  O  O   . SER A 1 114 ? -34.733 -28.691 -17.717 1.00 26.40 ? 120 SER B O   1 
ATOM   996  C  CB  . SER A 1 114 ? -35.458 -26.855 -19.938 1.00 29.16 ? 120 SER B CB  1 
ATOM   997  O  OG  . SER A 1 114 ? -36.784 -27.357 -20.066 1.00 32.21 ? 120 SER B OG  1 
ATOM   998  N  N   . PRO A 1 115 ? -36.112 -27.522 -16.429 1.00 22.98 ? 121 PRO B N   1 
ATOM   999  C  CA  . PRO A 1 115 ? -36.769 -26.280 -16.036 1.00 22.91 ? 121 PRO B CA  1 
ATOM   1000 C  C   . PRO A 1 115 ? -35.779 -25.295 -15.386 1.00 18.98 ? 121 PRO B C   1 
ATOM   1001 O  O   . PRO A 1 115 ? -34.633 -25.627 -15.130 1.00 17.89 ? 121 PRO B O   1 
ATOM   1002 C  CB  . PRO A 1 115 ? -37.790 -26.738 -15.004 1.00 26.51 ? 121 PRO B CB  1 
ATOM   1003 C  CG  . PRO A 1 115 ? -37.080 -27.891 -14.314 1.00 24.66 ? 121 PRO B CG  1 
ATOM   1004 C  CD  . PRO A 1 115 ? -36.287 -28.590 -15.412 1.00 24.78 ? 121 PRO B CD  1 
ATOM   1005 N  N   . GLN A 1 116 ? -36.225 -24.067 -15.200 1.00 18.61 ? 122 GLN B N   1 
ATOM   1006 C  CA  . GLN A 1 116 ? -35.363 -22.958 -14.727 1.00 16.91 ? 122 GLN B CA  1 
ATOM   1007 C  C   . GLN A 1 116 ? -34.818 -23.243 -13.319 1.00 14.48 ? 122 GLN B C   1 
ATOM   1008 O  O   . GLN A 1 116 ? -35.444 -23.963 -12.529 1.00 16.18 ? 122 GLN B O   1 
ATOM   1009 C  CB  . GLN A 1 116 ? -36.058 -21.596 -14.828 1.00 21.32 ? 122 GLN B CB  1 
ATOM   1010 C  CG  . GLN A 1 116 ? -37.144 -21.294 -13.811 1.00 27.58 ? 122 GLN B CG  1 
ATOM   1011 C  CD  . GLN A 1 116 ? -38.533 -21.641 -14.282 1.00 38.60 ? 122 GLN B CD  1 
ATOM   1012 O  OE1 . GLN A 1 116 ? -38.739 -22.554 -15.087 1.00 41.55 ? 122 GLN B OE1 1 
ATOM   1013 N  NE2 . GLN A 1 116 ? -39.508 -20.929 -13.733 1.00 44.56 ? 122 GLN B NE2 1 
ATOM   1014 N  N   . THR A 1 117 ? -33.672 -22.659 -13.034 1.00 12.85 ? 123 THR B N   1 
ATOM   1015 C  CA  . THR A 1 117 ? -32.931 -22.830 -11.782 1.00 12.53 ? 123 THR B CA  1 
ATOM   1016 C  C   . THR A 1 117 ? -32.988 -21.537 -10.983 1.00 12.54 ? 123 THR B C   1 
ATOM   1017 O  O   . THR A 1 117 ? -32.519 -20.500 -11.472 1.00 14.12 ? 123 THR B O   1 
ATOM   1018 C  CB  . THR A 1 117 ? -31.493 -23.293 -12.047 1.00 12.21 ? 123 THR B CB  1 
ATOM   1019 O  OG1 . THR A 1 117 ? -31.594 -24.518 -12.766 1.00 13.93 ? 123 THR B OG1 1 
ATOM   1020 C  CG2 . THR A 1 117 ? -30.724 -23.476 -10.759 1.00 13.13 ? 123 THR B CG2 1 
ATOM   1021 N  N   . THR A 1 118 ? -33.344 -21.609 -9.700  1.00 13.41 ? 124 THR B N   1 
ATOM   1022 C  CA  . THR A 1 118 ? -33.289 -20.465 -8.783  1.00 13.60 ? 124 THR B CA  1 
ATOM   1023 C  C   . THR A 1 118 ? -31.873 -19.980 -8.522  1.00 13.29 ? 124 THR B C   1 
ATOM   1024 O  O   . THR A 1 118 ? -30.954 -20.836 -8.273  1.00 15.35 ? 124 THR B O   1 
ATOM   1025 C  CB  . THR A 1 118 ? -33.922 -20.904 -7.453  1.00 16.80 ? 124 THR B CB  1 
ATOM   1026 O  OG1 . THR A 1 118 ? -35.286 -21.207 -7.705  1.00 19.69 ? 124 THR B OG1 1 
ATOM   1027 C  CG2 . THR A 1 118 ? -33.707 -19.855 -6.382  1.00 20.40 ? 124 THR B CG2 1 
ATOM   1028 N  N   . LEU A 1 119 ? -31.592 -18.686 -8.622  1.00 12.79 ? 125 LEU B N   1 
ATOM   1029 C  CA  . LEU A 1 119 ? -30.293 -18.083 -8.329  1.00 12.53 ? 125 LEU B CA  1 
ATOM   1030 C  C   . LEU A 1 119 ? -30.362 -17.506 -6.904  1.00 15.07 ? 125 LEU B C   1 
ATOM   1031 O  O   . LEU A 1 119 ? -31.480 -17.247 -6.402  1.00 20.31 ? 125 LEU B O   1 
ATOM   1032 C  CB  . LEU A 1 119 ? -29.861 -17.007 -9.339  1.00 12.16 ? 125 LEU B CB  1 
ATOM   1033 C  CG  . LEU A 1 119 ? -29.800 -17.528 -10.777 1.00 11.70 ? 125 LEU B CG  1 
ATOM   1034 C  CD1 . LEU A 1 119 ? -29.557 -16.412 -11.783 1.00 12.19 ? 125 LEU B CD1 1 
ATOM   1035 C  CD2 . LEU A 1 119 ? -28.707 -18.589 -10.911 1.00 13.36 ? 125 LEU B CD2 1 
ATOM   1036 N  N   . HIS A 1 120 ? -29.231 -17.423 -6.250  1.00 14.11 ? 126 HIS B N   1 
ATOM   1037 C  CA  . HIS A 1 120 ? -29.106 -16.959 -4.842  1.00 14.16 ? 126 HIS B CA  1 
ATOM   1038 C  C   . HIS A 1 120 ? -28.259 -15.700 -4.879  1.00 16.50 ? 126 HIS B C   1 
ATOM   1039 O  O   . HIS A 1 120 ? -26.999 -15.786 -4.897  1.00 20.95 ? 126 HIS B O   1 
ATOM   1040 C  CB  . HIS A 1 120 ? -28.469 -18.076 -3.992  1.00 15.66 ? 126 HIS B CB  1 
ATOM   1041 C  CG  . HIS A 1 120 ? -29.256 -19.347 -3.966  1.00 15.83 ? 126 HIS B CG  1 
ATOM   1042 N  ND1 . HIS A 1 120 ? -28.997 -20.425 -4.804  1.00 19.33 ? 126 HIS B ND1 1 
ATOM   1043 C  CD2 . HIS A 1 120 ? -30.338 -19.677 -3.258  1.00 18.19 ? 126 HIS B CD2 1 
ATOM   1044 C  CE1 . HIS A 1 120 ? -29.895 -21.362 -4.540  1.00 19.50 ? 126 HIS B CE1 1 
ATOM   1045 N  NE2 . HIS A 1 120 ? -30.701 -20.951 -3.600  1.00 18.42 ? 126 HIS B NE2 1 
ATOM   1046 N  N   . ILE A 1 121 ? -28.861 -14.547 -4.970  1.00 18.51 ? 127 ILE B N   1 
ATOM   1047 C  CA  . ILE A 1 121 ? -28.121 -13.257 -5.089  1.00 20.29 ? 127 ILE B CA  1 
ATOM   1048 C  C   . ILE A 1 121 ? -28.471 -12.403 -3.845  1.00 21.06 ? 127 ILE B C   1 
ATOM   1049 O  O   . ILE A 1 121 ? -29.638 -12.153 -3.633  1.00 25.73 ? 127 ILE B O   1 
ATOM   1050 C  CB  . ILE A 1 121 ? -28.501 -12.560 -6.412  1.00 21.35 ? 127 ILE B CB  1 
ATOM   1051 C  CG1 . ILE A 1 121 ? -28.129 -13.430 -7.631  1.00 19.90 ? 127 ILE B CG1 1 
ATOM   1052 C  CG2 . ILE A 1 121 ? -27.865 -11.173 -6.426  1.00 27.01 ? 127 ILE B CG2 1 
ATOM   1053 C  CD1 . ILE A 1 121 ? -28.301 -12.789 -8.985  1.00 18.68 ? 127 ILE B CD1 1 
ATOM   1054 N  N   . GLN A 1 122 ? -27.485 -12.059 -3.040  1.00 25.44 ? 128 GLN B N   1 
ATOM   1055 C  CA  . GLN A 1 122 ? -27.736 -11.273 -1.793  1.00 27.74 ? 128 GLN B CA  1 
ATOM   1056 C  C   . GLN A 1 122 ? -27.723 -9.776  -2.120  1.00 24.38 ? 128 GLN B C   1 
ATOM   1057 O  O   . GLN A 1 122 ? -28.535 -9.033  -1.506  1.00 25.57 ? 128 GLN B O   1 
ATOM   1058 C  CB  . GLN A 1 122 ? -26.692 -11.654 -0.738  1.00 30.21 ? 128 GLN B CB  1 
ATOM   1059 C  CG  . GLN A 1 122 ? -26.772 -10.846 0.565   1.00 40.59 ? 128 GLN B CG  1 
ATOM   1060 C  CD  . GLN A 1 122 ? -28.083 -10.952 1.323   1.00 45.58 ? 128 GLN B CD  1 
ATOM   1061 O  OE1 . GLN A 1 122 ? -28.776 -11.971 1.306   1.00 49.27 ? 128 GLN B OE1 1 
ATOM   1062 N  NE2 . GLN A 1 122 ? -28.433 -9.883  2.026   1.00 48.36 ? 128 GLN B NE2 1 
ATOM   1063 N  N   . VAL A 1 123 ? -26.959 -9.380  -3.136  1.00 21.06 ? 129 VAL B N   1 
ATOM   1064 C  CA  . VAL A 1 123 ? -26.792 -7.942  -3.536  1.00 18.92 ? 129 VAL B CA  1 
ATOM   1065 C  C   . VAL A 1 123 ? -27.374 -7.755  -4.932  1.00 17.91 ? 129 VAL B C   1 
ATOM   1066 O  O   . VAL A 1 123 ? -26.756 -8.216  -5.898  1.00 18.13 ? 129 VAL B O   1 
ATOM   1067 C  CB  . VAL A 1 123 ? -25.324 -7.497  -3.489  1.00 20.46 ? 129 VAL B CB  1 
ATOM   1068 C  CG1 . VAL A 1 123 ? -25.146 -6.057  -3.980  1.00 21.31 ? 129 VAL B CG1 1 
ATOM   1069 C  CG2 . VAL A 1 123 ? -24.745 -7.633  -2.080  1.00 23.16 ? 129 VAL B CG2 1 
ATOM   1070 N  N   . PRO A 1 124 ? -28.598 -7.219  -5.126  1.00 17.66 ? 130 PRO B N   1 
ATOM   1071 C  CA  . PRO A 1 124 ? -29.174 -7.114  -6.466  1.00 17.81 ? 130 PRO B CA  1 
ATOM   1072 C  C   . PRO A 1 124 ? -28.199 -6.407  -7.382  1.00 17.27 ? 130 PRO B C   1 
ATOM   1073 O  O   . PRO A 1 124 ? -27.699 -5.340  -7.091  1.00 17.20 ? 130 PRO B O   1 
ATOM   1074 C  CB  . PRO A 1 124 ? -30.456 -6.299  -6.224  1.00 20.30 ? 130 PRO B CB  1 
ATOM   1075 C  CG  . PRO A 1 124 ? -30.844 -6.711  -4.802  1.00 19.82 ? 130 PRO B CG  1 
ATOM   1076 C  CD  . PRO A 1 124 ? -29.553 -6.800  -4.070  1.00 20.51 ? 130 PRO B CD  1 
ATOM   1077 N  N   . PRO A 1 125 ? -27.815 -6.999  -8.526  1.00 14.96 ? 131 PRO B N   1 
ATOM   1078 C  CA  . PRO A 1 125 ? -26.813 -6.409  -9.386  1.00 15.09 ? 131 PRO B CA  1 
ATOM   1079 C  C   . PRO A 1 125 ? -27.305 -5.193  -10.172 1.00 14.89 ? 131 PRO B C   1 
ATOM   1080 O  O   . PRO A 1 125 ? -28.401 -5.241  -10.668 1.00 15.46 ? 131 PRO B O   1 
ATOM   1081 C  CB  . PRO A 1 125 ? -26.411 -7.583  -10.309 1.00 16.01 ? 131 PRO B CB  1 
ATOM   1082 C  CG  . PRO A 1 125 ? -27.556 -8.519  -10.246 1.00 17.36 ? 131 PRO B CG  1 
ATOM   1083 C  CD  . PRO A 1 125 ? -28.165 -8.383  -8.878  1.00 15.69 ? 131 PRO B CD  1 
ATOM   1084 N  N   . CYS A 1 126 ? -26.454 -4.181  -10.288 1.00 14.57 ? 132 CYS B N   1 
ATOM   1085 C  CA  . CYS A 1 126 ? -26.670 -3.065  -11.258 1.00 15.58 ? 132 CYS B CA  1 
ATOM   1086 C  C   . CYS A 1 126 ? -25.889 -3.320  -12.540 1.00 13.58 ? 132 CYS B C   1 
ATOM   1087 O  O   . CYS A 1 126 ? -26.204 -2.741  -13.565 1.00 13.32 ? 132 CYS B O   1 
ATOM   1088 C  CB  . CYS A 1 126 ? -26.270 -1.715  -10.686 1.00 19.57 ? 132 CYS B CB  1 
ATOM   1089 S  SG  . CYS A 1 126 ? -27.288 -1.296  -9.233  1.00 28.17 ? 132 CYS B SG  1 
ATOM   1090 N  N   A GLN A 1 127 ? -24.811 -4.118  -12.492 0.25 14.00 ? 133 GLN B N   1 
ATOM   1091 N  N   B GLN A 1 127 ? -24.927 -4.243  -12.471 0.25 14.08 ? 133 GLN B N   1 
ATOM   1092 C  CA  A GLN A 1 127 ? -24.060 -4.530  -13.715 0.25 14.36 ? 133 GLN B CA  1 
ATOM   1093 C  CA  B GLN A 1 127 ? -24.012 -4.565  -13.589 0.25 14.87 ? 133 GLN B CA  1 
ATOM   1094 C  C   A GLN A 1 127 ? -23.660 -6.006  -13.600 0.25 13.75 ? 133 GLN B C   1 
ATOM   1095 C  C   B GLN A 1 127 ? -23.751 -6.075  -13.556 0.25 14.01 ? 133 GLN B C   1 
ATOM   1096 O  O   A GLN A 1 127 ? -23.215 -6.449  -12.510 0.25 12.47 ? 133 GLN B O   1 
ATOM   1097 O  O   B GLN A 1 127 ? -23.598 -6.649  -12.446 0.25 12.86 ? 133 GLN B O   1 
ATOM   1098 C  CB  A GLN A 1 127 ? -22.792 -3.714  -13.993 0.25 16.35 ? 133 GLN B CB  1 
ATOM   1099 C  CB  B GLN A 1 127 ? -22.741 -3.722  -13.478 0.25 17.27 ? 133 GLN B CB  1 
ATOM   1100 C  CG  A GLN A 1 127 ? -23.020 -2.238  -14.281 0.25 18.11 ? 133 GLN B CG  1 
ATOM   1101 C  CG  B GLN A 1 127 ? -22.975 -2.241  -13.723 0.25 19.28 ? 133 GLN B CG  1 
ATOM   1102 C  CD  A GLN A 1 127 ? -22.862 -1.438  -13.012 0.25 20.15 ? 133 GLN B CD  1 
ATOM   1103 C  CD  B GLN A 1 127 ? -21.724 -1.489  -14.103 0.25 20.54 ? 133 GLN B CD  1 
ATOM   1104 O  OE1 A GLN A 1 127 ? -22.086 -1.804  -12.132 0.25 21.25 ? 133 GLN B OE1 1 
ATOM   1105 O  OE1 B GLN A 1 127 ? -20.621 -2.024  -14.105 0.25 24.80 ? 133 GLN B OE1 1 
ATOM   1106 N  NE2 A GLN A 1 127 ? -23.642 -0.372  -12.881 0.25 20.74 ? 133 GLN B NE2 1 
ATOM   1107 N  NE2 B GLN A 1 127 ? -21.891 -0.226  -14.429 0.25 22.84 ? 133 GLN B NE2 1 
ATOM   1108 N  N   . ILE A 1 128 ? -23.796 -6.694  -14.738 1.00 12.65 ? 134 ILE B N   1 
ATOM   1109 C  CA  . ILE A 1 128 ? -23.602 -8.163  -14.903 1.00 12.58 ? 134 ILE B CA  1 
ATOM   1110 C  C   . ILE A 1 128 ? -22.387 -8.326  -15.816 1.00 13.07 ? 134 ILE B C   1 
ATOM   1111 O  O   . ILE A 1 128 ? -22.341 -7.724  -16.926 1.00 12.25 ? 134 ILE B O   1 
ATOM   1112 C  CB  . ILE A 1 128 ? -24.845 -8.811  -15.517 1.00 13.88 ? 134 ILE B CB  1 
ATOM   1113 C  CG1 . ILE A 1 128 ? -26.129 -8.611  -14.700 1.00 17.33 ? 134 ILE B CG1 1 
ATOM   1114 C  CG2 . ILE A 1 128 ? -24.577 -10.291 -15.819 1.00 14.23 ? 134 ILE B CG2 1 
ATOM   1115 C  CD1 . ILE A 1 128 ? -26.191 -9.368  -13.485 1.00 16.65 ? 134 ILE B CD1 1 
ATOM   1116 N  N   . GLY A 1 129 ? -21.445 -9.205  -15.449 1.00 12.57 ? 135 GLY B N   1 
ATOM   1117 C  CA  . GLY A 1 129 ? -20.359 -9.657  -16.331 1.00 12.16 ? 135 GLY B CA  1 
ATOM   1118 C  C   . GLY A 1 129 ? -20.673 -11.024 -16.911 1.00 11.95 ? 135 GLY B C   1 
ATOM   1119 O  O   . GLY A 1 129 ? -21.239 -11.877 -16.231 1.00 12.46 ? 135 GLY B O   1 
ATOM   1120 N  N   . ILE A 1 130 ? -20.442 -11.166 -18.225 1.00 11.77 ? 136 ILE B N   1 
ATOM   1121 C  CA  . ILE A 1 130 ? -20.694 -12.436 -18.971 1.00 11.16 ? 136 ILE B CA  1 
ATOM   1122 C  C   . ILE A 1 130 ? -19.384 -12.936 -19.571 1.00 12.24 ? 136 ILE B C   1 
ATOM   1123 O  O   . ILE A 1 130 ? -18.714 -12.178 -20.266 1.00 12.28 ? 136 ILE B O   1 
ATOM   1124 C  CB  . ILE A 1 130 ? -21.747 -12.208 -20.072 1.00 12.52 ? 136 ILE B CB  1 
ATOM   1125 C  CG1 . ILE A 1 130 ? -23.027 -11.703 -19.439 1.00 14.18 ? 136 ILE B CG1 1 
ATOM   1126 C  CG2 . ILE A 1 130 ? -22.007 -13.481 -20.862 1.00 13.78 ? 136 ILE B CG2 1 
ATOM   1127 C  CD1 . ILE A 1 130 ? -24.041 -11.298 -20.411 1.00 17.47 ? 136 ILE B CD1 1 
ATOM   1128 N  N   . PHE A 1 131 ? -19.027 -14.155 -19.222 1.00 11.58 ? 137 PHE B N   1 
ATOM   1129 C  CA  . PHE A 1 131 ? -17.772 -14.804 -19.668 1.00 11.21 ? 137 PHE B CA  1 
ATOM   1130 C  C   . PHE A 1 131 ? -18.128 -16.038 -20.463 1.00 11.39 ? 137 PHE B C   1 
ATOM   1131 O  O   . PHE A 1 131 ? -18.892 -16.891 -19.994 1.00 11.84 ? 137 PHE B O   1 
ATOM   1132 C  CB  . PHE A 1 131 ? -16.896 -15.210 -18.486 1.00 12.74 ? 137 PHE B CB  1 
ATOM   1133 C  CG  . PHE A 1 131 ? -15.645 -15.967 -18.863 1.00 13.53 ? 137 PHE B CG  1 
ATOM   1134 C  CD1 . PHE A 1 131 ? -14.630 -15.334 -19.547 1.00 15.05 ? 137 PHE B CD1 1 
ATOM   1135 C  CD2 . PHE A 1 131 ? -15.498 -17.294 -18.504 1.00 15.18 ? 137 PHE B CD2 1 
ATOM   1136 C  CE1 . PHE A 1 131 ? -13.461 -16.038 -19.846 1.00 17.48 ? 137 PHE B CE1 1 
ATOM   1137 C  CE2 . PHE A 1 131 ? -14.343 -18.006 -18.829 1.00 17.07 ? 137 PHE B CE2 1 
ATOM   1138 C  CZ  . PHE A 1 131 ? -13.340 -17.359 -19.496 1.00 16.54 ? 137 PHE B CZ  1 
ATOM   1139 N  N   . VAL A 1 132 ? -17.555 -16.145 -21.673 1.00 11.54 ? 138 VAL B N   1 
ATOM   1140 C  CA  . VAL A 1 132 ? -17.711 -17.331 -22.541 1.00 11.80 ? 138 VAL B CA  1 
ATOM   1141 C  C   . VAL A 1 132 ? -16.331 -17.934 -22.831 1.00 11.12 ? 138 VAL B C   1 
ATOM   1142 O  O   . VAL A 1 132 ? -15.450 -17.226 -23.294 1.00 13.52 ? 138 VAL B O   1 
ATOM   1143 C  CB  . VAL A 1 132 ? -18.443 -17.022 -23.855 1.00 11.66 ? 138 VAL B CB  1 
ATOM   1144 C  CG1 . VAL A 1 132 ? -18.596 -18.284 -24.697 1.00 13.81 ? 138 VAL B CG1 1 
ATOM   1145 C  CG2 . VAL A 1 132 ? -19.807 -16.391 -23.592 1.00 13.49 ? 138 VAL B CG2 1 
ATOM   1146 N  N   . ASP A 1 133 ? -16.179 -19.221 -22.518 1.00 11.45 ? 139 ASP B N   1 
ATOM   1147 C  CA  . ASP A 1 133 ? -15.000 -20.025 -22.970 1.00 12.83 ? 139 ASP B CA  1 
ATOM   1148 C  C   . ASP A 1 133 ? -15.513 -21.052 -23.973 1.00 11.37 ? 139 ASP B C   1 
ATOM   1149 O  O   . ASP A 1 133 ? -16.146 -22.048 -23.594 1.00 12.35 ? 139 ASP B O   1 
ATOM   1150 C  CB  . ASP A 1 133 ? -14.249 -20.596 -21.792 1.00 12.82 ? 139 ASP B CB  1 
ATOM   1151 C  CG  . ASP A 1 133 ? -12.998 -21.397 -22.178 1.00 15.27 ? 139 ASP B CG  1 
ATOM   1152 O  OD1 . ASP A 1 133 ? -12.890 -21.815 -23.365 1.00 16.50 ? 139 ASP B OD1 1 
ATOM   1153 O  OD2 . ASP A 1 133 ? -12.164 -21.509 -21.253 1.00 20.07 ? 139 ASP B OD2 1 
ATOM   1154 N  N   . TYR A 1 134 ? -15.297 -20.768 -25.264 1.00 13.04 ? 140 TYR B N   1 
ATOM   1155 C  CA  . TYR A 1 134 ? -15.875 -21.598 -26.332 1.00 13.15 ? 140 TYR B CA  1 
ATOM   1156 C  C   . TYR A 1 134 ? -15.366 -23.048 -26.262 1.00 14.04 ? 140 TYR B C   1 
ATOM   1157 O  O   . TYR A 1 134 ? -16.113 -23.986 -26.195 1.00 15.24 ? 140 TYR B O   1 
ATOM   1158 C  CB  . TYR A 1 134 ? -15.641 -20.976 -27.717 1.00 13.54 ? 140 TYR B CB  1 
ATOM   1159 C  CG  . TYR A 1 134 ? -16.577 -21.573 -28.742 1.00 13.67 ? 140 TYR B CG  1 
ATOM   1160 C  CD1 . TYR A 1 134 ? -16.432 -22.873 -29.218 1.00 13.66 ? 140 TYR B CD1 1 
ATOM   1161 C  CD2 . TYR A 1 134 ? -17.722 -20.900 -29.154 1.00 13.69 ? 140 TYR B CD2 1 
ATOM   1162 C  CE1 . TYR A 1 134 ? -17.322 -23.452 -30.096 1.00 13.34 ? 140 TYR B CE1 1 
ATOM   1163 C  CE2 . TYR A 1 134 ? -18.638 -21.475 -30.029 1.00 13.05 ? 140 TYR B CE2 1 
ATOM   1164 C  CZ  . TYR A 1 134 ? -18.445 -22.753 -30.527 1.00 13.03 ? 140 TYR B CZ  1 
ATOM   1165 O  OH  . TYR A 1 134 ? -19.344 -23.379 -31.326 1.00 13.25 ? 140 TYR B OH  1 
ATOM   1166 N  N   . GLU A 1 135 ? -14.063 -23.174 -26.176 1.00 16.54 ? 141 GLU B N   1 
ATOM   1167 C  CA  . GLU A 1 135 ? -13.431 -24.515 -26.198 1.00 16.63 ? 141 GLU B CA  1 
ATOM   1168 C  C   . GLU A 1 135 ? -13.839 -25.297 -24.970 1.00 15.91 ? 141 GLU B C   1 
ATOM   1169 O  O   . GLU A 1 135 ? -14.174 -26.503 -25.117 1.00 18.88 ? 141 GLU B O   1 
ATOM   1170 C  CB  . GLU A 1 135 ? -11.927 -24.394 -26.346 1.00 18.35 ? 141 GLU B CB  1 
ATOM   1171 C  CG  . GLU A 1 135 ? -11.533 -24.240 -27.836 1.00 23.04 ? 141 GLU B CG  1 
ATOM   1172 C  CD  . GLU A 1 135 ? -11.844 -22.886 -28.390 1.00 24.42 ? 141 GLU B CD  1 
ATOM   1173 O  OE1 . GLU A 1 135 ? -11.997 -22.755 -29.573 1.00 24.88 ? 141 GLU B OE1 1 
ATOM   1174 O  OE2 . GLU A 1 135 ? -11.899 -21.926 -27.578 1.00 27.42 ? 141 GLU B OE2 1 
ATOM   1175 N  N   . ALA A 1 136 ? -13.889 -24.687 -23.788 1.00 14.60 ? 142 ALA B N   1 
ATOM   1176 C  CA  . ALA A 1 136 ? -14.268 -25.376 -22.553 1.00 15.25 ? 142 ALA B CA  1 
ATOM   1177 C  C   . ALA A 1 136 ? -15.767 -25.687 -22.464 1.00 15.24 ? 142 ALA B C   1 
ATOM   1178 O  O   . ALA A 1 136 ? -16.170 -26.542 -21.662 1.00 16.93 ? 142 ALA B O   1 
ATOM   1179 C  CB  . ALA A 1 136 ? -13.831 -24.549 -21.371 1.00 17.97 ? 142 ALA B CB  1 
ATOM   1180 N  N   . GLY A 1 137 ? -16.621 -25.053 -23.264 1.00 13.14 ? 143 GLY B N   1 
ATOM   1181 C  CA  . GLY A 1 137 ? -18.070 -25.186 -23.169 1.00 12.65 ? 143 GLY B CA  1 
ATOM   1182 C  C   . GLY A 1 137 ? -18.624 -24.537 -21.880 1.00 11.35 ? 143 GLY B C   1 
ATOM   1183 O  O   . GLY A 1 137 ? -19.394 -25.217 -21.199 1.00 13.02 ? 143 GLY B O   1 
ATOM   1184 N  N   . VAL A 1 138 ? -18.193 -23.320 -21.584 1.00 11.78 ? 144 VAL B N   1 
ATOM   1185 C  CA  . VAL A 1 138 ? -18.589 -22.620 -20.327 1.00 12.25 ? 144 VAL B CA  1 
ATOM   1186 C  C   . VAL A 1 138 ? -19.196 -21.274 -20.670 1.00 11.23 ? 144 VAL B C   1 
ATOM   1187 O  O   . VAL A 1 138 ? -18.590 -20.478 -21.436 1.00 12.15 ? 144 VAL B O   1 
ATOM   1188 C  CB  . VAL A 1 138 ? -17.349 -22.444 -19.437 1.00 13.27 ? 144 VAL B CB  1 
ATOM   1189 C  CG1 . VAL A 1 138 ? -17.602 -21.479 -18.258 1.00 14.22 ? 144 VAL B CG1 1 
ATOM   1190 C  CG2 . VAL A 1 138 ? -16.904 -23.821 -18.959 1.00 14.92 ? 144 VAL B CG2 1 
ATOM   1191 N  N   . VAL A 1 139 ? -20.284 -20.956 -19.967 1.00 11.47 ? 145 VAL B N   1 
ATOM   1192 C  CA  . VAL A 1 139 ? -20.833 -19.560 -19.900 1.00 10.81 ? 145 VAL B CA  1 
ATOM   1193 C  C   . VAL A 1 139 ? -21.028 -19.204 -18.406 1.00 10.27 ? 145 VAL B C   1 
ATOM   1194 O  O   . VAL A 1 139 ? -21.802 -19.929 -17.742 1.00 11.43 ? 145 VAL B O   1 
ATOM   1195 C  CB  . VAL A 1 139 ? -22.162 -19.440 -20.666 1.00 10.75 ? 145 VAL B CB  1 
ATOM   1196 C  CG1 . VAL A 1 139 ? -22.639 -17.978 -20.636 1.00 11.19 ? 145 VAL B CG1 1 
ATOM   1197 C  CG2 . VAL A 1 139 ? -22.046 -19.964 -22.089 1.00 11.01 ? 145 VAL B CG2 1 
ATOM   1198 N  N   . SER A 1 140 ? -20.406 -18.143 -17.954 1.00 10.16 ? 146 SER B N   1 
ATOM   1199 C  CA  . SER A 1 140 ? -20.485 -17.749 -16.540 1.00 11.53 ? 146 SER B CA  1 
ATOM   1200 C  C   . SER A 1 140 ? -20.955 -16.303 -16.443 1.00 10.71 ? 146 SER B C   1 
ATOM   1201 O  O   . SER A 1 140 ? -20.641 -15.487 -17.267 1.00 11.46 ? 146 SER B O   1 
ATOM   1202 C  CB  . SER A 1 140 ? -19.129 -17.940 -15.864 1.00 11.57 ? 146 SER B CB  1 
ATOM   1203 O  OG  . SER A 1 140 ? -18.783 -19.318 -15.714 1.00 12.90 ? 146 SER B OG  1 
ATOM   1204 N  N   . PHE A 1 141 ? -21.642 -16.036 -15.347 1.00 10.00 ? 147 PHE B N   1 
ATOM   1205 C  CA  . PHE A 1 141 ? -22.257 -14.740 -15.025 1.00 10.37 ? 147 PHE B CA  1 
ATOM   1206 C  C   . PHE A 1 141 ? -21.710 -14.286 -13.690 1.00 10.19 ? 147 PHE B C   1 
ATOM   1207 O  O   . PHE A 1 141 ? -21.750 -15.072 -12.695 1.00 10.97 ? 147 PHE B O   1 
ATOM   1208 C  CB  . PHE A 1 141 ? -23.803 -14.834 -14.999 1.00 10.62 ? 147 PHE B CB  1 
ATOM   1209 C  CG  . PHE A 1 141 ? -24.369 -15.235 -16.334 1.00 10.08 ? 147 PHE B CG  1 
ATOM   1210 C  CD1 . PHE A 1 141 ? -24.467 -16.584 -16.692 1.00 10.03 ? 147 PHE B CD1 1 
ATOM   1211 C  CD2 . PHE A 1 141 ? -24.886 -14.274 -17.192 1.00 10.88 ? 147 PHE B CD2 1 
ATOM   1212 C  CE1 . PHE A 1 141 ? -24.932 -16.927 -17.962 1.00 10.63 ? 147 PHE B CE1 1 
ATOM   1213 C  CE2 . PHE A 1 141 ? -25.373 -14.648 -18.440 1.00 9.79  ? 147 PHE B CE2 1 
ATOM   1214 C  CZ  . PHE A 1 141 ? -25.448 -15.975 -18.795 1.00 9.96  ? 147 PHE B CZ  1 
ATOM   1215 N  N   . TYR A 1 142 ? -21.378 -13.006 -13.608 1.00 10.60 ? 148 TYR B N   1 
ATOM   1216 C  CA  . TYR A 1 142 ? -20.724 -12.397 -12.427 1.00 12.65 ? 148 TYR B CA  1 
ATOM   1217 C  C   . TYR A 1 142 ? -21.496 -11.140 -12.010 1.00 13.56 ? 148 TYR B C   1 
ATOM   1218 O  O   . TYR A 1 142 ? -21.953 -10.330 -12.823 1.00 13.08 ? 148 TYR B O   1 
ATOM   1219 C  CB  . TYR A 1 142 ? -19.251 -12.105 -12.706 1.00 12.70 ? 148 TYR B CB  1 
ATOM   1220 C  CG  . TYR A 1 142 ? -18.445 -13.342 -12.988 1.00 12.94 ? 148 TYR B CG  1 
ATOM   1221 C  CD1 . TYR A 1 142 ? -17.969 -14.132 -11.964 1.00 14.31 ? 148 TYR B CD1 1 
ATOM   1222 C  CD2 . TYR A 1 142 ? -18.237 -13.784 -14.284 1.00 13.95 ? 148 TYR B CD2 1 
ATOM   1223 C  CE1 . TYR A 1 142 ? -17.289 -15.308 -12.224 1.00 14.57 ? 148 TYR B CE1 1 
ATOM   1224 C  CE2 . TYR A 1 142 ? -17.574 -14.965 -14.563 1.00 13.88 ? 148 TYR B CE2 1 
ATOM   1225 C  CZ  . TYR A 1 142 ? -17.047 -15.712 -13.525 1.00 14.64 ? 148 TYR B CZ  1 
ATOM   1226 O  OH  . TYR A 1 142 ? -16.403 -16.916 -13.757 1.00 17.05 ? 148 TYR B OH  1 
ATOM   1227 N  N   . ASN A 1 143 ? -21.526 -10.900 -10.702 1.00 13.94 ? 149 ASN B N   1 
ATOM   1228 C  CA  . ASN A 1 143 ? -22.235 -9.732  -10.082 1.00 13.55 ? 149 ASN B CA  1 
ATOM   1229 C  C   . ASN A 1 143 ? -21.202 -8.618  -9.893  1.00 13.10 ? 149 ASN B C   1 
ATOM   1230 O  O   . ASN A 1 143 ? -20.445 -8.651  -8.879  1.00 15.46 ? 149 ASN B O   1 
ATOM   1231 C  CB  . ASN A 1 143 ? -22.846 -10.158 -8.753  1.00 13.17 ? 149 ASN B CB  1 
ATOM   1232 C  CG  . ASN A 1 143 ? -23.669 -9.070  -8.086  1.00 13.78 ? 149 ASN B CG  1 
ATOM   1233 O  OD1 . ASN A 1 143 ? -23.491 -7.901  -8.437  1.00 15.31 ? 149 ASN B OD1 1 
ATOM   1234 N  ND2 . ASN A 1 143 ? -24.562 -9.484  -7.226  1.00 15.25 ? 149 ASN B ND2 1 
ATOM   1235 N  N   . ILE A 1 144 ? -21.108 -7.629  -10.775 1.00 14.50 ? 150 ILE B N   1 
ATOM   1236 C  CA  . ILE A 1 144 ? -20.032 -6.609  -10.743 1.00 15.18 ? 150 ILE B CA  1 
ATOM   1237 C  C   . ILE A 1 144 ? -20.288 -5.721  -9.506  1.00 17.04 ? 150 ILE B C   1 
ATOM   1238 O  O   . ILE A 1 144 ? -19.308 -5.256  -8.910  1.00 19.18 ? 150 ILE B O   1 
ATOM   1239 C  CB  . ILE A 1 144 ? -20.024 -5.834  -12.066 1.00 16.88 ? 150 ILE B CB  1 
ATOM   1240 C  CG1 . ILE A 1 144 ? -19.817 -6.766  -13.276 1.00 17.52 ? 150 ILE B CG1 1 
ATOM   1241 C  CG2 . ILE A 1 144 ? -18.995 -4.703  -12.051 1.00 19.07 ? 150 ILE B CG2 1 
ATOM   1242 C  CD1 . ILE A 1 144 ? -18.742 -7.809  -13.098 1.00 20.64 ? 150 ILE B CD1 1 
ATOM   1243 N  N   . THR A 1 145 ? -21.529 -5.495  -9.129  1.00 16.87 ? 151 THR B N   1 
ATOM   1244 C  CA  . THR A 1 145 ? -21.928 -4.667  -7.943  1.00 17.70 ? 151 THR B CA  1 
ATOM   1245 C  C   . THR A 1 145 ? -21.360 -5.298  -6.669  1.00 20.42 ? 151 THR B C   1 
ATOM   1246 O  O   . THR A 1 145 ? -20.922 -4.532  -5.772  1.00 23.34 ? 151 THR B O   1 
ATOM   1247 C  CB  . THR A 1 145 ? -23.460 -4.549  -7.890  1.00 16.63 ? 151 THR B CB  1 
ATOM   1248 O  OG1 . THR A 1 145 ? -23.916 -4.093  -9.166  1.00 16.92 ? 151 THR B OG1 1 
ATOM   1249 C  CG2 . THR A 1 145 ? -23.893 -3.572  -6.815  1.00 18.45 ? 151 THR B CG2 1 
ATOM   1250 N  N   . ASP A 1 146 ? -21.319 -6.624  -6.573  1.00 18.53 ? 152 ASP B N   1 
ATOM   1251 C  CA  . ASP A 1 146 ? -20.790 -7.386  -5.407  1.00 19.40 ? 152 ASP B CA  1 
ATOM   1252 C  C   . ASP A 1 146 ? -19.376 -7.928  -5.681  1.00 19.35 ? 152 ASP B C   1 
ATOM   1253 O  O   . ASP A 1 146 ? -19.175 -9.142  -5.499  1.00 20.20 ? 152 ASP B O   1 
ATOM   1254 C  CB  . ASP A 1 146 ? -21.821 -8.415  -5.034  1.00 18.83 ? 152 ASP B CB  1 
ATOM   1255 C  CG  . ASP A 1 146 ? -21.455 -9.196  -3.797  1.00 23.19 ? 152 ASP B CG  1 
ATOM   1256 O  OD1 . ASP A 1 146 ? -20.999 -8.552  -2.831  1.00 23.81 ? 152 ASP B OD1 1 
ATOM   1257 O  OD2 . ASP A 1 146 ? -21.619 -10.421 -3.835  1.00 24.11 ? 152 ASP B OD2 1 
ATOM   1258 N  N   . HIS A 1 147 ? -18.452 -7.080  -6.103  1.00 21.86 ? 153 HIS B N   1 
ATOM   1259 C  CA  . HIS A 1 147 ? -17.001 -7.405  -6.212  1.00 25.81 ? 153 HIS B CA  1 
ATOM   1260 C  C   . HIS A 1 147 ? -16.802 -8.594  -7.161  1.00 23.95 ? 153 HIS B C   1 
ATOM   1261 O  O   . HIS A 1 147 ? -15.863 -9.365  -6.993  1.00 26.53 ? 153 HIS B O   1 
ATOM   1262 C  CB  . HIS A 1 147 ? -16.392 -7.775  -4.849  1.00 31.13 ? 153 HIS B CB  1 
ATOM   1263 C  CG  . HIS A 1 147 ? -16.657 -6.825  -3.724  1.00 40.54 ? 153 HIS B CG  1 
ATOM   1264 N  ND1 . HIS A 1 147 ? -16.040 -5.584  -3.643  1.00 48.06 ? 153 HIS B ND1 1 
ATOM   1265 C  CD2 . HIS A 1 147 ? -17.427 -6.948  -2.617  1.00 45.65 ? 153 HIS B CD2 1 
ATOM   1266 C  CE1 . HIS A 1 147 ? -16.441 -4.967  -2.544  1.00 51.51 ? 153 HIS B CE1 1 
ATOM   1267 N  NE2 . HIS A 1 147 ? -17.295 -5.787  -1.892  1.00 49.11 ? 153 HIS B NE2 1 
ATOM   1268 N  N   . GLY A 1 148 ? -17.669 -8.760  -8.159  1.00 20.41 ? 154 GLY B N   1 
ATOM   1269 C  CA  . GLY A 1 148 ? -17.452 -9.819  -9.167  1.00 17.75 ? 154 GLY B CA  1 
ATOM   1270 C  C   . GLY A 1 148 ? -17.892 -11.196 -8.711  1.00 17.07 ? 154 GLY B C   1 
ATOM   1271 O  O   . GLY A 1 148 ? -17.386 -12.135 -9.291  1.00 17.41 ? 154 GLY B O   1 
ATOM   1272 N  N   . SER A 1 149 ? -18.728 -11.346 -7.700  1.00 15.03 ? 155 SER B N   1 
ATOM   1273 C  CA  . SER A 1 149 ? -19.098 -12.672 -7.165  1.00 13.73 ? 155 SER B CA  1 
ATOM   1274 C  C   . SER A 1 149 ? -19.797 -13.511 -8.238  1.00 14.56 ? 155 SER B C   1 
ATOM   1275 O  O   . SER A 1 149 ? -20.585 -12.975 -9.076  1.00 14.09 ? 155 SER B O   1 
ATOM   1276 C  CB  . SER A 1 149 ? -19.949 -12.558 -5.930  1.00 14.83 ? 155 SER B CB  1 
ATOM   1277 O  OG  . SER A 1 149 ? -21.143 -11.813 -6.119  1.00 15.51 ? 155 SER B OG  1 
ATOM   1278 N  N   . LEU A 1 150 ? -19.590 -14.804 -8.234  1.00 13.52 ? 156 LEU B N   1 
ATOM   1279 C  CA  . LEU A 1 150 ? -20.262 -15.703 -9.213  1.00 12.53 ? 156 LEU B CA  1 
ATOM   1280 C  C   . LEU A 1 150 ? -21.763 -15.733 -8.987  1.00 12.36 ? 156 LEU B C   1 
ATOM   1281 O  O   . LEU A 1 150 ? -22.261 -15.969 -7.855  1.00 13.23 ? 156 LEU B O   1 
ATOM   1282 C  CB  . LEU A 1 150 ? -19.668 -17.109 -9.080  1.00 12.72 ? 156 LEU B CB  1 
ATOM   1283 C  CG  . LEU A 1 150 ? -20.215 -18.149 -10.063 1.00 12.62 ? 156 LEU B CG  1 
ATOM   1284 C  CD1 . LEU A 1 150 ? -19.826 -17.863 -11.495 1.00 12.69 ? 156 LEU B CD1 1 
ATOM   1285 C  CD2 . LEU A 1 150 ? -19.689 -19.563 -9.662  1.00 13.78 ? 156 LEU B CD2 1 
ATOM   1286 N  N   . ILE A 1 151 ? -22.515 -15.615 -10.084 1.00 11.58 ? 157 ILE B N   1 
ATOM   1287 C  CA  . ILE A 1 151 ? -23.956 -15.820 -10.107 1.00 11.97 ? 157 ILE B CA  1 
ATOM   1288 C  C   . ILE A 1 151 ? -24.307 -17.237 -10.548 1.00 10.75 ? 157 ILE B C   1 
ATOM   1289 O  O   . ILE A 1 151 ? -25.128 -17.928 -9.980  1.00 11.59 ? 157 ILE B O   1 
ATOM   1290 C  CB  . ILE A 1 151 ? -24.642 -14.745 -10.993 1.00 12.27 ? 157 ILE B CB  1 
ATOM   1291 C  CG1 . ILE A 1 151 ? -24.436 -13.359 -10.396 1.00 13.26 ? 157 ILE B CG1 1 
ATOM   1292 C  CG2 . ILE A 1 151 ? -26.114 -15.079 -11.167 1.00 11.81 ? 157 ILE B CG2 1 
ATOM   1293 C  CD1 . ILE A 1 151 ? -24.900 -12.246 -11.327 1.00 13.36 ? 157 ILE B CD1 1 
ATOM   1294 N  N   . TYR A 1 152 ? -23.749 -17.650 -11.700 1.00 10.54 ? 158 TYR B N   1 
ATOM   1295 C  CA  . TYR A 1 152 ? -24.154 -18.953 -12.295 1.00 9.85  ? 158 TYR B CA  1 
ATOM   1296 C  C   . TYR A 1 152 ? -23.116 -19.356 -13.363 1.00 10.51 ? 158 TYR B C   1 
ATOM   1297 O  O   . TYR A 1 152 ? -22.579 -18.485 -14.098 1.00 10.76 ? 158 TYR B O   1 
ATOM   1298 C  CB  . TYR A 1 152 ? -25.516 -18.860 -13.050 1.00 10.17 ? 158 TYR B CB  1 
ATOM   1299 C  CG  . TYR A 1 152 ? -26.085 -20.207 -13.384 1.00 10.26 ? 158 TYR B CG  1 
ATOM   1300 C  CD1 . TYR A 1 152 ? -26.719 -21.011 -12.434 1.00 11.05 ? 158 TYR B CD1 1 
ATOM   1301 C  CD2 . TYR A 1 152 ? -25.949 -20.743 -14.670 1.00 10.10 ? 158 TYR B CD2 1 
ATOM   1302 C  CE1 . TYR A 1 152 ? -27.197 -22.271 -12.760 1.00 12.12 ? 158 TYR B CE1 1 
ATOM   1303 C  CE2 . TYR A 1 152 ? -26.385 -21.999 -14.985 1.00 10.81 ? 158 TYR B CE2 1 
ATOM   1304 C  CZ  . TYR A 1 152 ? -26.998 -22.770 -14.034 1.00 11.63 ? 158 TYR B CZ  1 
ATOM   1305 O  OH  . TYR A 1 152 ? -27.405 -24.051 -14.300 1.00 14.11 ? 158 TYR B OH  1 
ATOM   1306 N  N   . THR A 1 153 ? -22.833 -20.658 -13.455 1.00 10.66 ? 159 THR B N   1 
ATOM   1307 C  CA  . THR A 1 153 ? -21.986 -21.254 -14.524 1.00 11.14 ? 159 THR B CA  1 
ATOM   1308 C  C   . THR A 1 153 ? -22.759 -22.354 -15.199 1.00 10.29 ? 159 THR B C   1 
ATOM   1309 O  O   . THR A 1 153 ? -23.148 -23.352 -14.592 1.00 11.67 ? 159 THR B O   1 
ATOM   1310 C  CB  . THR A 1 153 ? -20.664 -21.818 -13.952 1.00 11.34 ? 159 THR B CB  1 
ATOM   1311 O  OG1 . THR A 1 153 ? -19.891 -20.694 -13.560 1.00 11.87 ? 159 THR B OG1 1 
ATOM   1312 C  CG2 . THR A 1 153 ? -19.917 -22.654 -14.983 1.00 13.02 ? 159 THR B CG2 1 
ATOM   1313 N  N   . PHE A 1 154 ? -22.964 -22.206 -16.521 1.00 10.74 ? 160 PHE B N   1 
ATOM   1314 C  CA  . PHE A 1 154 ? -23.362 -23.317 -17.415 1.00 10.77 ? 160 PHE B CA  1 
ATOM   1315 C  C   . PHE A 1 154 ? -22.069 -24.000 -17.883 1.00 11.53 ? 160 PHE B C   1 
ATOM   1316 O  O   . PHE A 1 154 ? -21.198 -23.339 -18.425 1.00 12.13 ? 160 PHE B O   1 
ATOM   1317 C  CB  . PHE A 1 154 ? -24.041 -22.819 -18.692 1.00 11.05 ? 160 PHE B CB  1 
ATOM   1318 C  CG  . PHE A 1 154 ? -25.413 -22.201 -18.534 1.00 9.62  ? 160 PHE B CG  1 
ATOM   1319 C  CD1 . PHE A 1 154 ? -25.578 -20.834 -18.291 1.00 9.58  ? 160 PHE B CD1 1 
ATOM   1320 C  CD2 . PHE A 1 154 ? -26.551 -22.955 -18.719 1.00 10.00 ? 160 PHE B CD2 1 
ATOM   1321 C  CE1 . PHE A 1 154 ? -26.851 -20.278 -18.202 1.00 10.12 ? 160 PHE B CE1 1 
ATOM   1322 C  CE2 . PHE A 1 154 ? -27.826 -22.401 -18.633 1.00 10.59 ? 160 PHE B CE2 1 
ATOM   1323 C  CZ  . PHE A 1 154 ? -27.952 -21.057 -18.380 1.00 9.59  ? 160 PHE B CZ  1 
ATOM   1324 N  N   . SER A 1 155 ? -21.974 -25.297 -17.583 1.00 12.97 ? 161 SER B N   1 
ATOM   1325 C  CA  . SER A 1 155 ? -20.831 -26.078 -18.074 1.00 14.45 ? 161 SER B CA  1 
ATOM   1326 C  C   . SER A 1 155 ? -21.347 -27.232 -18.916 1.00 14.25 ? 161 SER B C   1 
ATOM   1327 O  O   . SER A 1 155 ? -22.546 -27.510 -18.995 1.00 15.92 ? 161 SER B O   1 
ATOM   1328 C  CB  . SER A 1 155 ? -19.993 -26.482 -16.901 1.00 16.64 ? 161 SER B CB  1 
ATOM   1329 O  OG  . SER A 1 155 ? -20.603 -27.479 -16.123 1.00 19.79 ? 161 SER B OG  1 
ATOM   1330 N  N   . GLU A 1 156 ? -20.386 -27.883 -19.600 1.00 16.94 ? 162 GLU B N   1 
ATOM   1331 C  CA  . GLU A 1 156 ? -20.746 -28.957 -20.574 1.00 18.01 ? 162 GLU B CA  1 
ATOM   1332 C  C   . GLU A 1 156 ? -21.706 -28.401 -21.628 1.00 16.50 ? 162 GLU B C   1 
ATOM   1333 O  O   . GLU A 1 156 ? -22.621 -29.128 -22.094 1.00 18.03 ? 162 GLU B O   1 
ATOM   1334 C  CB  . GLU A 1 156 ? -21.405 -30.160 -19.899 1.00 22.04 ? 162 GLU B CB  1 
ATOM   1335 C  CG  . GLU A 1 156 ? -20.754 -30.621 -18.616 1.00 26.62 ? 162 GLU B CG  1 
ATOM   1336 C  CD  . GLU A 1 156 ? -21.392 -31.928 -18.195 1.00 38.17 ? 162 GLU B CD  1 
ATOM   1337 O  OE1 . GLU A 1 156 ? -22.415 -31.888 -17.479 1.00 44.28 ? 162 GLU B OE1 1 
ATOM   1338 O  OE2 . GLU A 1 156 ? -20.946 -32.973 -18.700 1.00 44.85 ? 162 GLU B OE2 1 
ATOM   1339 N  N   . CYS A 1 157 ? -21.488 -27.145 -22.033 1.00 15.04 ? 163 CYS B N   1 
ATOM   1340 C  CA  . CYS A 1 157 ? -22.374 -26.513 -23.032 1.00 14.08 ? 163 CYS B CA  1 
ATOM   1341 C  C   . CYS A 1 157 ? -22.148 -27.155 -24.402 1.00 15.61 ? 163 CYS B C   1 
ATOM   1342 O  O   . CYS A 1 157 ? -20.954 -27.409 -24.730 1.00 17.23 ? 163 CYS B O   1 
ATOM   1343 C  CB  . CYS A 1 157 ? -22.168 -25.005 -23.172 1.00 12.81 ? 163 CYS B CB  1 
ATOM   1344 S  SG  . CYS A 1 157 ? -22.570 -24.073 -21.660 1.00 13.37 ? 163 CYS B SG  1 
ATOM   1345 N  N   . VAL A 1 158 ? -23.211 -27.399 -25.134 1.00 14.78 ? 164 VAL B N   1 
ATOM   1346 C  CA  . VAL A 1 158 ? -23.099 -27.906 -26.522 1.00 15.96 ? 164 VAL B CA  1 
ATOM   1347 C  C   . VAL A 1 158 ? -23.510 -26.755 -27.433 1.00 14.22 ? 164 VAL B C   1 
ATOM   1348 O  O   . VAL A 1 158 ? -24.697 -26.622 -27.834 1.00 17.49 ? 164 VAL B O   1 
ATOM   1349 C  CB  . VAL A 1 158 ? -23.897 -29.227 -26.658 1.00 19.02 ? 164 VAL B CB  1 
ATOM   1350 C  CG1 . VAL A 1 158 ? -23.767 -29.698 -28.111 1.00 19.32 ? 164 VAL B CG1 1 
ATOM   1351 C  CG2 . VAL A 1 158 ? -23.399 -30.285 -25.688 1.00 21.04 ? 164 VAL B CG2 1 
ATOM   1352 N  N   . PHE A 1 159 ? -22.599 -25.831 -27.742 1.00 13.48 ? 165 PHE B N   1 
ATOM   1353 C  CA  . PHE A 1 159 ? -22.893 -24.594 -28.501 1.00 13.58 ? 165 PHE B CA  1 
ATOM   1354 C  C   . PHE A 1 159 ? -23.467 -24.963 -29.871 1.00 15.65 ? 165 PHE B C   1 
ATOM   1355 O  O   . PHE A 1 159 ? -24.474 -24.384 -30.305 1.00 16.13 ? 165 PHE B O   1 
ATOM   1356 C  CB  . PHE A 1 159 ? -21.696 -23.660 -28.500 1.00 13.22 ? 165 PHE B CB  1 
ATOM   1357 C  CG  . PHE A 1 159 ? -21.272 -23.173 -27.128 1.00 12.17 ? 165 PHE B CG  1 
ATOM   1358 C  CD1 . PHE A 1 159 ? -22.213 -22.662 -26.236 1.00 12.51 ? 165 PHE B CD1 1 
ATOM   1359 C  CD2 . PHE A 1 159 ? -19.936 -23.164 -26.752 1.00 13.59 ? 165 PHE B CD2 1 
ATOM   1360 C  CE1 . PHE A 1 159 ? -21.822 -22.171 -24.992 1.00 12.61 ? 165 PHE B CE1 1 
ATOM   1361 C  CE2 . PHE A 1 159 ? -19.539 -22.685 -25.507 1.00 13.58 ? 165 PHE B CE2 1 
ATOM   1362 C  CZ  . PHE A 1 159 ? -20.486 -22.162 -24.644 1.00 12.39 ? 165 PHE B CZ  1 
ATOM   1363 N  N   . ALA A 1 160 ? -22.782 -25.860 -30.586 1.00 14.58 ? 166 ALA B N   1 
ATOM   1364 C  CA  . ALA A 1 160 ? -23.252 -26.421 -31.868 1.00 15.29 ? 166 ALA B CA  1 
ATOM   1365 C  C   . ALA A 1 160 ? -23.348 -25.360 -32.955 1.00 14.38 ? 166 ALA B C   1 
ATOM   1366 O  O   . ALA A 1 160 ? -24.162 -25.545 -33.916 1.00 16.68 ? 166 ALA B O   1 
ATOM   1367 C  CB  . ALA A 1 160 ? -24.524 -27.162 -31.682 1.00 15.44 ? 166 ALA B CB  1 
ATOM   1368 N  N   . GLY A 1 161 ? -22.558 -24.322 -32.878 1.00 15.79 ? 167 GLY B N   1 
ATOM   1369 C  CA  . GLY A 1 161 ? -22.572 -23.251 -33.885 1.00 17.02 ? 167 GLY B CA  1 
ATOM   1370 C  C   . GLY A 1 161 ? -21.910 -21.996 -33.373 1.00 13.83 ? 167 GLY B C   1 
ATOM   1371 O  O   . GLY A 1 161 ? -21.499 -21.925 -32.182 1.00 13.96 ? 167 GLY B O   1 
ATOM   1372 N  N   . PRO A 1 162 ? -21.827 -20.961 -34.187 1.00 13.17 ? 168 PRO B N   1 
ATOM   1373 C  CA  . PRO A 1 162 ? -21.341 -19.665 -33.745 1.00 12.73 ? 168 PRO B CA  1 
ATOM   1374 C  C   . PRO A 1 162 ? -22.297 -19.115 -32.672 1.00 12.69 ? 168 PRO B C   1 
ATOM   1375 O  O   . PRO A 1 162 ? -23.504 -19.356 -32.738 1.00 13.03 ? 168 PRO B O   1 
ATOM   1376 C  CB  . PRO A 1 162 ? -21.329 -18.761 -34.985 1.00 12.99 ? 168 PRO B CB  1 
ATOM   1377 C  CG  . PRO A 1 162 ? -21.482 -19.778 -36.136 1.00 13.65 ? 168 PRO B CG  1 
ATOM   1378 C  CD  . PRO A 1 162 ? -22.220 -20.942 -35.609 1.00 13.16 ? 168 PRO B CD  1 
ATOM   1379 N  N   . LEU A 1 163 ? -21.715 -18.348 -31.759 1.00 12.54 ? 169 LEU B N   1 
ATOM   1380 C  CA  . LEU A 1 163 ? -22.500 -17.708 -30.654 1.00 12.16 ? 169 LEU B CA  1 
ATOM   1381 C  C   . LEU A 1 163 ? -22.624 -16.216 -30.908 1.00 13.13 ? 169 LEU B C   1 
ATOM   1382 O  O   . LEU A 1 163 ? -21.688 -15.573 -31.372 1.00 14.19 ? 169 LEU B O   1 
ATOM   1383 C  CB  . LEU A 1 163 ? -21.810 -17.935 -29.308 1.00 12.77 ? 169 LEU B CB  1 
ATOM   1384 C  CG  . LEU A 1 163 ? -21.824 -19.372 -28.775 1.00 13.90 ? 169 LEU B CG  1 
ATOM   1385 C  CD1 . LEU A 1 163 ? -20.999 -19.417 -27.518 1.00 13.95 ? 169 LEU B CD1 1 
ATOM   1386 C  CD2 . LEU A 1 163 ? -23.245 -19.880 -28.521 1.00 14.75 ? 169 LEU B CD2 1 
ATOM   1387 N  N   . ARG A 1 164 ? -23.764 -15.666 -30.481 1.00 11.74 ? 170 ARG B N   1 
ATOM   1388 C  CA  . ARG A 1 164 ? -23.993 -14.212 -30.468 1.00 11.79 ? 170 ARG B CA  1 
ATOM   1389 C  C   . ARG A 1 164 ? -24.381 -13.725 -29.074 1.00 9.72  ? 170 ARG B C   1 
ATOM   1390 O  O   . ARG A 1 164 ? -25.135 -14.414 -28.403 1.00 10.73 ? 170 ARG B O   1 
ATOM   1391 C  CB  . ARG A 1 164 ? -25.070 -13.856 -31.488 1.00 13.00 ? 170 ARG B CB  1 
ATOM   1392 C  CG  . ARG A 1 164 ? -24.522 -14.190 -32.890 1.00 16.13 ? 170 ARG B CG  1 
ATOM   1393 C  CD  . ARG A 1 164 ? -25.369 -13.835 -34.047 1.00 19.25 ? 170 ARG B CD  1 
ATOM   1394 N  NE  . ARG A 1 164 ? -25.403 -12.399 -34.150 1.00 17.69 ? 170 ARG B NE  1 
ATOM   1395 C  CZ  . ARG A 1 164 ? -26.126 -11.802 -35.075 1.00 17.91 ? 170 ARG B CZ  1 
ATOM   1396 N  NH1 . ARG A 1 164 ? -26.748 -12.526 -35.977 1.00 18.87 ? 170 ARG B NH1 1 
ATOM   1397 N  NH2 . ARG A 1 164 ? -26.199 -10.488 -35.097 1.00 15.82 ? 170 ARG B NH2 1 
ATOM   1398 N  N   . PRO A 1 165 ? -23.924 -12.536 -28.657 1.00 9.78  ? 171 PRO B N   1 
ATOM   1399 C  CA  . PRO A 1 165 ? -24.464 -11.936 -27.423 1.00 9.71  ? 171 PRO B CA  1 
ATOM   1400 C  C   . PRO A 1 165 ? -25.975 -11.754 -27.582 1.00 10.09 ? 171 PRO B C   1 
ATOM   1401 O  O   . PRO A 1 165 ? -26.473 -11.427 -28.657 1.00 10.82 ? 171 PRO B O   1 
ATOM   1402 C  CB  . PRO A 1 165 ? -23.768 -10.576 -27.335 1.00 10.10 ? 171 PRO B CB  1 
ATOM   1403 C  CG  . PRO A 1 165 ? -22.484 -10.758 -28.194 1.00 11.64 ? 171 PRO B CG  1 
ATOM   1404 C  CD  . PRO A 1 165 ? -22.925 -11.673 -29.298 1.00 11.95 ? 171 PRO B CD  1 
ATOM   1405 N  N   . PHE A 1 166 ? -26.695 -12.034 -26.496 1.00 9.66  ? 172 PHE B N   1 
ATOM   1406 C  CA  . PHE A 1 166 ? -28.172 -12.060 -26.477 1.00 9.79  ? 172 PHE B CA  1 
ATOM   1407 C  C   . PHE A 1 166 ? -28.685 -11.113 -25.388 1.00 8.82  ? 172 PHE B C   1 
ATOM   1408 O  O   . PHE A 1 166 ? -28.198 -11.126 -24.236 1.00 9.08  ? 172 PHE B O   1 
ATOM   1409 C  CB  . PHE A 1 166 ? -28.662 -13.485 -26.212 1.00 9.93  ? 172 PHE B CB  1 
ATOM   1410 C  CG  . PHE A 1 166 ? -30.156 -13.572 -26.023 1.00 10.29 ? 172 PHE B CG  1 
ATOM   1411 C  CD1 . PHE A 1 166 ? -31.004 -13.556 -27.115 1.00 10.93 ? 172 PHE B CD1 1 
ATOM   1412 C  CD2 . PHE A 1 166 ? -30.719 -13.623 -24.769 1.00 10.98 ? 172 PHE B CD2 1 
ATOM   1413 C  CE1 . PHE A 1 166 ? -32.381 -13.624 -26.942 1.00 10.89 ? 172 PHE B CE1 1 
ATOM   1414 C  CE2 . PHE A 1 166 ? -32.094 -13.640 -24.610 1.00 10.76 ? 172 PHE B CE2 1 
ATOM   1415 C  CZ  . PHE A 1 166 ? -32.918 -13.667 -25.703 1.00 11.18 ? 172 PHE B CZ  1 
ATOM   1416 N  N   . PHE A 1 167 ? -29.764 -10.376 -25.712 1.00 9.30  ? 173 PHE B N   1 
ATOM   1417 C  CA  . PHE A 1 167 ? -30.377 -9.358  -24.827 1.00 9.28  ? 173 PHE B CA  1 
ATOM   1418 C  C   . PHE A 1 167 ? -31.894 -9.404  -24.923 1.00 10.18 ? 173 PHE B C   1 
ATOM   1419 O  O   . PHE A 1 167 ? -32.408 -9.469  -26.055 1.00 10.39 ? 173 PHE B O   1 
ATOM   1420 C  CB  . PHE A 1 167 ? -29.919 -7.942  -25.196 1.00 9.72  ? 173 PHE B CB  1 
ATOM   1421 C  CG  . PHE A 1 167 ? -28.412 -7.792  -25.320 1.00 10.04 ? 173 PHE B CG  1 
ATOM   1422 C  CD1 . PHE A 1 167 ? -27.752 -8.084  -26.513 1.00 9.65  ? 173 PHE B CD1 1 
ATOM   1423 C  CD2 . PHE A 1 167 ? -27.632 -7.349  -24.244 1.00 11.69 ? 173 PHE B CD2 1 
ATOM   1424 C  CE1 . PHE A 1 167 ? -26.354 -8.029  -26.609 1.00 10.05 ? 173 PHE B CE1 1 
ATOM   1425 C  CE2 . PHE A 1 167 ? -26.255 -7.226  -24.370 1.00 11.91 ? 173 PHE B CE2 1 
ATOM   1426 C  CZ  . PHE A 1 167 ? -25.622 -7.556  -25.547 1.00 11.54 ? 173 PHE B CZ  1 
ATOM   1427 N  N   . ASN A 1 168 ? -32.557 -9.233  -23.794 1.00 10.03 ? 174 ASN B N   1 
ATOM   1428 C  CA  . ASN A 1 168 ? -34.006 -8.979  -23.761 1.00 9.68  ? 174 ASN B CA  1 
ATOM   1429 C  C   . ASN A 1 168 ? -34.227 -7.848  -22.779 1.00 9.49  ? 174 ASN B C   1 
ATOM   1430 O  O   . ASN A 1 168 ? -33.908 -8.016  -21.599 1.00 10.14 ? 174 ASN B O   1 
ATOM   1431 C  CB  . ASN A 1 168 ? -34.798 -10.218 -23.365 1.00 9.86  ? 174 ASN B CB  1 
ATOM   1432 C  CG  . ASN A 1 168 ? -36.294 -10.025 -23.424 1.00 11.73 ? 174 ASN B CG  1 
ATOM   1433 O  OD1 . ASN A 1 168 ? -36.823 -8.971  -23.724 1.00 12.57 ? 174 ASN B OD1 1 
ATOM   1434 N  ND2 . ASN A 1 168 ? -37.011 -11.101 -23.184 1.00 12.95 ? 174 ASN B ND2 1 
ATOM   1435 N  N   . VAL A 1 169 ? -34.762 -6.696  -23.244 1.00 9.48  ? 175 VAL B N   1 
ATOM   1436 C  CA  . VAL A 1 169 ? -35.031 -5.536  -22.347 1.00 10.27 ? 175 VAL B CA  1 
ATOM   1437 C  C   . VAL A 1 169 ? -36.276 -5.790  -21.494 1.00 10.50 ? 175 VAL B C   1 
ATOM   1438 O  O   . VAL A 1 169 ? -36.514 -4.974  -20.579 1.00 11.42 ? 175 VAL B O   1 
ATOM   1439 C  CB  . VAL A 1 169 ? -35.129 -4.186  -23.095 1.00 11.28 ? 175 VAL B CB  1 
ATOM   1440 C  CG1 . VAL A 1 169 ? -33.833 -3.861  -23.817 1.00 12.46 ? 175 VAL B CG1 1 
ATOM   1441 C  CG2 . VAL A 1 169 ? -36.294 -4.151  -24.076 1.00 11.06 ? 175 VAL B CG2 1 
ATOM   1442 N  N   . GLY A 1 170 ? -37.065 -6.814  -21.827 1.00 10.88 ? 176 GLY B N   1 
ATOM   1443 C  CA  . GLY A 1 170 ? -38.341 -7.082  -21.128 1.00 12.14 ? 176 GLY B CA  1 
ATOM   1444 C  C   . GLY A 1 170 ? -39.460 -6.171  -21.544 1.00 12.25 ? 176 GLY B C   1 
ATOM   1445 O  O   . GLY A 1 170 ? -39.257 -5.106  -22.134 1.00 11.44 ? 176 GLY B O   1 
ATOM   1446 N  N   . PHE A 1 171 ? -40.670 -6.635  -21.233 0.30 13.03 ? 177 PHE B N   1 
ATOM   1447 C  CA  . PHE A 1 171 ? -41.943 -5.899  -21.417 0.30 13.16 ? 177 PHE B CA  1 
ATOM   1448 C  C   . PHE A 1 171 ? -41.974 -4.715  -20.447 0.30 12.61 ? 177 PHE B C   1 
ATOM   1449 O  O   . PHE A 1 171 ? -41.222 -4.721  -19.461 0.30 12.23 ? 177 PHE B O   1 
ATOM   1450 C  CB  . PHE A 1 171 ? -43.129 -6.849  -21.218 0.30 14.05 ? 177 PHE B CB  1 
ATOM   1451 C  CG  . PHE A 1 171 ? -43.183 -8.042  -22.144 0.30 14.80 ? 177 PHE B CG  1 
ATOM   1452 C  CD1 . PHE A 1 171 ? -43.177 -7.885  -23.521 0.30 15.46 ? 177 PHE B CD1 1 
ATOM   1453 C  CD2 . PHE A 1 171 ? -43.270 -9.331  -21.644 0.30 15.99 ? 177 PHE B CD2 1 
ATOM   1454 C  CE1 . PHE A 1 171 ? -43.249 -8.984  -24.366 0.30 16.08 ? 177 PHE B CE1 1 
ATOM   1455 C  CE2 . PHE A 1 171 ? -43.340 -10.428 -22.491 0.30 16.54 ? 177 PHE B CE2 1 
ATOM   1456 C  CZ  . PHE A 1 171 ? -43.330 -10.252 -23.851 0.30 16.89 ? 177 PHE B CZ  1 
ATOM   1457 N  N   . ASN A 1 172 ? -42.825 -3.726  -20.722 1.00 12.20 ? 178 ASN B N   1 
ATOM   1458 C  CA  . ASN A 1 172 ? -43.028 -2.603  -19.776 1.00 11.57 ? 178 ASN B CA  1 
ATOM   1459 C  C   . ASN A 1 172 ? -44.545 -2.432  -19.580 1.00 12.12 ? 178 ASN B C   1 
ATOM   1460 O  O   . ASN A 1 172 ? -45.036 -1.304  -19.627 1.00 14.52 ? 178 ASN B O   1 
ATOM   1461 C  CB  . ASN A 1 172 ? -42.368 -1.336  -20.260 1.00 12.23 ? 178 ASN B CB  1 
ATOM   1462 C  CG  . ASN A 1 172 ? -42.391 -0.245  -19.234 1.00 12.70 ? 178 ASN B CG  1 
ATOM   1463 O  OD1 . ASN A 1 172 ? -42.414 -0.456  -18.025 1.00 12.42 ? 178 ASN B OD1 1 
ATOM   1464 N  ND2 . ASN A 1 172 ? -42.353 0.988   -19.701 1.00 14.72 ? 178 ASN B ND2 1 
ATOM   1465 N  N   . TYR A 1 173 ? -45.215 -3.502  -19.214 1.00 13.02 ? 179 TYR B N   1 
ATOM   1466 C  CA  . TYR A 1 173 ? -46.651 -3.435  -18.810 1.00 11.78 ? 179 TYR B CA  1 
ATOM   1467 C  C   . TYR A 1 173 ? -46.793 -2.626  -17.530 1.00 13.37 ? 179 TYR B C   1 
ATOM   1468 O  O   . TYR A 1 173 ? -47.888 -2.009  -17.304 1.00 14.32 ? 179 TYR B O   1 
ATOM   1469 C  CB  . TYR A 1 173 ? -47.226 -4.847  -18.612 1.00 12.19 ? 179 TYR B CB  1 
ATOM   1470 C  CG  . TYR A 1 173 ? -47.363 -5.677  -19.851 1.00 14.32 ? 179 TYR B CG  1 
ATOM   1471 C  CD1 . TYR A 1 173 ? -48.376 -5.443  -20.773 1.00 17.83 ? 179 TYR B CD1 1 
ATOM   1472 C  CD2 . TYR A 1 173 ? -46.497 -6.731  -20.089 1.00 17.13 ? 179 TYR B CD2 1 
ATOM   1473 C  CE1 . TYR A 1 173 ? -48.458 -6.154  -21.962 1.00 18.38 ? 179 TYR B CE1 1 
ATOM   1474 C  CE2 . TYR A 1 173 ? -46.586 -7.454  -21.280 1.00 16.56 ? 179 TYR B CE2 1 
ATOM   1475 C  CZ  . TYR A 1 173 ? -47.565 -7.180  -22.197 1.00 18.95 ? 179 TYR B CZ  1 
ATOM   1476 O  OH  . TYR A 1 173 ? -47.694 -7.942  -23.348 1.00 23.81 ? 179 TYR B OH  1 
ATOM   1477 N  N   . SER A 1 174 ? -45.845 -2.640  -16.605 1.00 12.68 ? 180 SER B N   1 
ATOM   1478 C  CA  . SER A 1 174 ? -45.916 -2.045  -15.251 1.00 13.71 ? 180 SER B CA  1 
ATOM   1479 C  C   . SER A 1 174 ? -45.647 -0.538  -15.290 1.00 13.51 ? 180 SER B C   1 
ATOM   1480 O  O   . SER A 1 174 ? -45.950 0.147   -14.260 1.00 15.79 ? 180 SER B O   1 
ATOM   1481 C  CB  . SER A 1 174 ? -44.937 -2.666  -14.308 1.00 14.19 ? 180 SER B CB  1 
ATOM   1482 O  OG  . SER A 1 174 ? -43.597 -2.368  -14.762 1.00 14.05 ? 180 SER B OG  1 
ATOM   1483 N  N   . GLY A 1 175 ? -45.027 -0.014  -16.342 1.00 12.37 ? 181 GLY B N   1 
ATOM   1484 C  CA  . GLY A 1 175 ? -44.510 1.355   -16.299 1.00 12.55 ? 181 GLY B CA  1 
ATOM   1485 C  C   . GLY A 1 175 ? -43.262 1.507   -15.459 1.00 13.95 ? 181 GLY B C   1 
ATOM   1486 O  O   . GLY A 1 175 ? -42.771 2.640   -15.355 1.00 14.71 ? 181 GLY B O   1 
ATOM   1487 N  N   . GLY A 1 176 ? -42.707 0.436   -14.882 1.00 12.89 ? 182 GLY B N   1 
ATOM   1488 C  CA  . GLY A 1 176 ? -41.478 0.485   -14.085 1.00 12.24 ? 182 GLY B CA  1 
ATOM   1489 C  C   . GLY A 1 176 ? -40.258 -0.136  -14.777 1.00 12.86 ? 182 GLY B C   1 
ATOM   1490 O  O   . GLY A 1 176 ? -39.191 -0.180  -14.114 1.00 14.73 ? 182 GLY B O   1 
ATOM   1491 N  N   . ASN A 1 177 ? -40.396 -0.557  -16.028 1.00 11.10 ? 183 ASN B N   1 
ATOM   1492 C  CA  . ASN A 1 177 ? -39.290 -1.267  -16.703 1.00 10.94 ? 183 ASN B CA  1 
ATOM   1493 C  C   . ASN A 1 177 ? -38.849 -0.564  -17.988 1.00 11.14 ? 183 ASN B C   1 
ATOM   1494 O  O   . ASN A 1 177 ? -38.282 -1.238  -18.855 1.00 11.86 ? 183 ASN B O   1 
ATOM   1495 C  CB  . ASN A 1 177 ? -39.653 -2.714  -17.023 1.00 10.82 ? 183 ASN B CB  1 
ATOM   1496 C  CG  . ASN A 1 177 ? -38.436 -3.581  -17.293 1.00 10.88 ? 183 ASN B CG  1 
ATOM   1497 O  OD1 . ASN A 1 177 ? -37.393 -3.380  -16.668 1.00 11.56 ? 183 ASN B OD1 1 
ATOM   1498 N  ND2 . ASN A 1 177 ? -38.620 -4.501  -18.225 1.00 11.27 ? 183 ASN B ND2 1 
ATOM   1499 N  N   . ALA A 1 178 ? -38.941 0.753   -18.092 1.00 11.30 ? 184 ALA B N   1 
ATOM   1500 C  CA  . ALA A 1 178 ? -38.571 1.467   -19.336 1.00 12.37 ? 184 ALA B CA  1 
ATOM   1501 C  C   . ALA A 1 178 ? -37.048 1.627   -19.481 1.00 11.84 ? 184 ALA B C   1 
ATOM   1502 O  O   . ALA A 1 178 ? -36.613 1.908   -20.608 1.00 13.98 ? 184 ALA B O   1 
ATOM   1503 C  CB  . ALA A 1 178 ? -39.225 2.869   -19.335 1.00 13.34 ? 184 ALA B CB  1 
ATOM   1504 N  N   . ALA A 1 179 ? -36.297 1.489   -18.408 1.00 11.96 ? 185 ALA B N   1 
ATOM   1505 C  CA  . ALA A 1 179 ? -34.840 1.782   -18.468 1.00 12.07 ? 185 ALA B CA  1 
ATOM   1506 C  C   . ALA A 1 179 ? -34.136 0.890   -19.496 1.00 11.88 ? 185 ALA B C   1 
ATOM   1507 O  O   . ALA A 1 179 ? -34.511 -0.272  -19.721 1.00 11.64 ? 185 ALA B O   1 
ATOM   1508 C  CB  . ALA A 1 179 ? -34.225 1.661   -17.094 1.00 12.23 ? 185 ALA B CB  1 
ATOM   1509 N  N   . PRO A 1 180 ? -33.042 1.399   -20.079 1.00 11.14 ? 186 PRO B N   1 
ATOM   1510 C  CA  . PRO A 1 180 ? -32.280 0.624   -21.063 1.00 11.98 ? 186 PRO B CA  1 
ATOM   1511 C  C   . PRO A 1 180 ? -31.353 -0.473  -20.494 1.00 10.89 ? 186 PRO B C   1 
ATOM   1512 O  O   . PRO A 1 180 ? -31.020 -0.427  -19.301 1.00 12.11 ? 186 PRO B O   1 
ATOM   1513 C  CB  . PRO A 1 180 ? -31.383 1.694   -21.717 1.00 12.40 ? 186 PRO B CB  1 
ATOM   1514 C  CG  . PRO A 1 180 ? -31.152 2.688   -20.628 1.00 14.26 ? 186 PRO B CG  1 
ATOM   1515 C  CD  . PRO A 1 180 ? -32.498 2.755   -19.893 1.00 13.24 ? 186 PRO B CD  1 
ATOM   1516 N  N   . LEU A 1 181 ? -30.984 -1.438  -21.325 1.00 11.06 ? 187 LEU B N   1 
ATOM   1517 C  CA  . LEU A 1 181 ? -29.739 -2.202  -21.138 1.00 11.23 ? 187 LEU B CA  1 
ATOM   1518 C  C   . LEU A 1 181 ? -28.620 -1.383  -21.769 1.00 11.56 ? 187 LEU B C   1 
ATOM   1519 O  O   . LEU A 1 181 ? -28.782 -0.927  -22.910 1.00 13.74 ? 187 LEU B O   1 
ATOM   1520 C  CB  . LEU A 1 181 ? -29.894 -3.558  -21.789 1.00 11.04 ? 187 LEU B CB  1 
ATOM   1521 C  CG  . LEU A 1 181 ? -30.919 -4.520  -21.150 1.00 12.32 ? 187 LEU B CG  1 
ATOM   1522 C  CD1 . LEU A 1 181 ? -31.082 -5.806  -21.958 1.00 13.70 ? 187 LEU B CD1 1 
ATOM   1523 C  CD2 . LEU A 1 181 ? -30.556 -4.883  -19.714 1.00 13.64 ? 187 LEU B CD2 1 
ATOM   1524 N  N   . LYS A 1 182 ? -27.464 -1.332  -21.108 1.00 11.82 ? 188 LYS B N   1 
ATOM   1525 C  CA  . LYS A 1 182 ? -26.316 -0.563  -21.653 1.00 12.62 ? 188 LYS B CA  1 
ATOM   1526 C  C   . LYS A 1 182 ? -25.087 -1.447  -21.618 1.00 13.00 ? 188 LYS B C   1 
ATOM   1527 O  O   . LYS A 1 182 ? -24.738 -1.962  -20.523 1.00 13.64 ? 188 LYS B O   1 
ATOM   1528 C  CB  . LYS A 1 182 ? -26.051 0.736   -20.876 1.00 13.95 ? 188 LYS B CB  1 
ATOM   1529 C  CG  . LYS A 1 182 ? -27.228 1.666   -20.674 1.00 17.00 ? 188 LYS B CG  1 
ATOM   1530 C  CD  . LYS A 1 182 ? -26.812 2.979   -20.024 1.00 21.19 ? 188 LYS B CD  1 
ATOM   1531 C  CE  . LYS A 1 182 ? -27.945 3.890   -19.631 1.00 25.75 ? 188 LYS B CE  1 
ATOM   1532 N  NZ  . LYS A 1 182 ? -27.391 5.070   -18.913 1.00 31.79 ? 188 LYS B NZ  1 
ATOM   1533 N  N   . LEU A 1 183 ? -24.362 -1.530  -22.703 1.00 12.58 ? 189 LEU B N   1 
ATOM   1534 C  CA  . LEU A 1 183 ? -23.021 -2.184  -22.707 1.00 13.09 ? 189 LEU B CA  1 
ATOM   1535 C  C   . LEU A 1 183 ? -22.016 -1.233  -22.071 1.00 15.16 ? 189 LEU B C   1 
ATOM   1536 O  O   . LEU A 1 183 ? -21.858 -0.080  -22.576 1.00 18.06 ? 189 LEU B O   1 
ATOM   1537 C  CB  . LEU A 1 183 ? -22.675 -2.569  -24.147 1.00 13.27 ? 189 LEU B CB  1 
ATOM   1538 C  CG  . LEU A 1 183 ? -23.390 -3.827  -24.623 1.00 14.13 ? 189 LEU B CG  1 
ATOM   1539 C  CD1 . LEU A 1 183 ? -23.555 -3.912  -26.130 1.00 17.91 ? 189 LEU B CD1 1 
ATOM   1540 C  CD2 . LEU A 1 183 ? -22.762 -5.104  -24.046 1.00 13.73 ? 189 LEU B CD2 1 
ATOM   1541 N  N   . CYS A 1 184 ? -21.333 -1.691  -21.024 1.00 16.34 ? 190 CYS B N   1 
ATOM   1542 C  CA  . CYS A 1 184 ? -20.445 -0.822  -20.193 1.00 19.14 ? 190 CYS B CA  1 
ATOM   1543 C  C   . CYS A 1 184 ? -19.074 -0.770  -20.817 1.00 21.31 ? 190 CYS B C   1 
ATOM   1544 O  O   . CYS A 1 184 ? -18.606 -1.739  -21.372 1.00 21.30 ? 190 CYS B O   1 
ATOM   1545 C  CB  . CYS A 1 184 ? -20.155 -1.416  -18.833 1.00 20.98 ? 190 CYS B CB  1 
ATOM   1546 S  SG  . CYS A 1 184 ? -21.588 -1.965  -17.917 1.00 23.03 ? 190 CYS B SG  1 
ATOM   1547 N  N   . PRO A 1 185 ? -18.373 0.371   -20.673 1.00 25.91 ? 191 PRO B N   1 
ATOM   1548 C  CA  . PRO A 1 185 ? -17.046 0.521   -21.239 1.00 31.61 ? 191 PRO B CA  1 
ATOM   1549 C  C   . PRO A 1 185 ? -16.059 -0.403  -20.524 1.00 31.18 ? 191 PRO B C   1 
ATOM   1550 O  O   . PRO A 1 185 ? -16.221 -0.642  -19.316 1.00 31.97 ? 191 PRO B O   1 
ATOM   1551 C  CB  . PRO A 1 185 ? -16.779 2.031   -21.049 1.00 31.04 ? 191 PRO B CB  1 
ATOM   1552 C  CG  . PRO A 1 185 ? -17.617 2.422   -19.873 1.00 31.90 ? 191 PRO B CG  1 
ATOM   1553 C  CD  . PRO A 1 185 ? -18.875 1.591   -20.008 1.00 27.75 ? 191 PRO B CD  1 
ATOM   1554 N  N   . LEU A 1 186 ? -15.119 -0.904  -21.325 1.00 37.71 ? 192 LEU B N   1 
ATOM   1555 C  CA  . LEU A 1 186 ? -13.836 -1.570  -20.986 1.00 40.64 ? 192 LEU B CA  1 
ATOM   1556 C  C   . LEU A 1 186 ? -13.001 -0.665  -20.082 1.00 45.96 ? 192 LEU B C   1 
ATOM   1557 O  O   . LEU A 1 186 ? -12.250 -1.237  -19.293 1.00 51.48 ? 192 LEU B O   1 
ATOM   1558 C  CB  . LEU A 1 186 ? -13.086 -1.828  -22.296 1.00 40.19 ? 192 LEU B CB  1 
HETATM 1559 C  C4  . WHP B 2 .   ? -43.381 -4.895  -27.304 0.30 22.68 ? 201 WHP B C4  1 
HETATM 1560 C  C5  . WHP B 2 .   ? -42.409 -5.578  -28.015 0.30 23.16 ? 201 WHP B C5  1 
HETATM 1561 C  C6  . WHP B 2 .   ? -42.494 -6.941  -28.175 0.30 23.57 ? 201 WHP B C6  1 
HETATM 1562 C  C7  . WHP B 2 .   ? -43.545 -7.631  -27.625 0.30 23.91 ? 201 WHP B C7  1 
HETATM 1563 C  C8  . WHP B 2 .   ? -44.517 -6.943  -26.915 0.30 23.63 ? 201 WHP B C8  1 
HETATM 1564 N  N   . WHP B 2 .   ? -45.073 -3.555  -25.287 0.30 20.50 ? 201 WHP B N   1 
HETATM 1565 C  C   . WHP B 2 .   ? -46.285 -5.637  -24.900 0.30 22.65 ? 201 WHP B C   1 
HETATM 1566 O  O   . WHP B 2 .   ? -44.148 -4.393  -23.147 0.30 19.09 ? 201 WHP B O   1 
HETATM 1567 C  C1  . WHP B 2 .   ? -45.558 -4.796  -25.935 0.30 21.70 ? 201 WHP B C1  1 
HETATM 1568 C  C2  . WHP B 2 .   ? -44.129 -1.834  -23.442 0.30 19.04 ? 201 WHP B C2  1 
HETATM 1569 C  C3  . WHP B 2 .   ? -44.458 -5.565  -26.723 0.30 22.83 ? 201 WHP B C3  1 
HETATM 1570 O  O1  . WHP B 2 .   ? -46.309 -3.175  -23.181 0.30 19.15 ? 201 WHP B O1  1 
HETATM 1571 S  S   . WHP B 2 .   ? -44.974 -3.350  -23.681 0.30 18.89 ? 201 WHP B S   1 
HETATM 1572 CL CL  . WHP B 2 .   ? -45.831 -7.872  -26.242 0.30 26.12 ? 201 WHP B CL  1 
HETATM 1573 C  C1  . EDO C 3 .   ? -50.423 -17.195 -32.951 1.00 45.01 ? 202 EDO B C1  1 
HETATM 1574 O  O1  . EDO C 3 .   ? -49.196 -16.507 -32.974 1.00 37.51 ? 202 EDO B O1  1 
HETATM 1575 C  C2  . EDO C 3 .   ? -51.010 -17.250 -31.603 1.00 44.14 ? 202 EDO B C2  1 
HETATM 1576 O  O2  . EDO C 3 .   ? -51.288 -15.960 -31.149 1.00 49.49 ? 202 EDO B O2  1 
HETATM 1577 S  S   . SO4 D 4 .   ? -40.450 -24.569 -26.186 1.00 38.16 ? 203 SO4 B S   1 
HETATM 1578 O  O1  . SO4 D 4 .   ? -39.745 -23.586 -26.951 1.00 24.95 ? 203 SO4 B O1  1 
HETATM 1579 O  O2  . SO4 D 4 .   ? -41.384 -25.251 -27.033 1.00 44.50 ? 203 SO4 B O2  1 
HETATM 1580 O  O3  . SO4 D 4 .   ? -39.487 -25.511 -25.656 1.00 45.22 ? 203 SO4 B O3  1 
HETATM 1581 O  O4  . SO4 D 4 .   ? -41.163 -23.958 -25.082 1.00 40.74 ? 203 SO4 B O4  1 
HETATM 1582 O  O   . HOH E 5 .   ? -45.829 3.700   -34.024 1.00 26.73 ? 301 HOH B O   1 
HETATM 1583 O  O   . HOH E 5 .   ? -47.043 -16.705 -31.901 1.00 23.27 ? 302 HOH B O   1 
HETATM 1584 O  O   . HOH E 5 .   ? -38.612 -15.303 -11.569 1.00 34.14 ? 303 HOH B O   1 
HETATM 1585 O  O   . HOH E 5 .   ? -26.926 -28.483 -27.716 1.00 25.39 ? 304 HOH B O   1 
HETATM 1586 O  O   . HOH E 5 .   ? -38.479 0.701   -11.918 1.00 36.69 ? 305 HOH B O   1 
HETATM 1587 O  O   . HOH E 5 .   ? -22.679 -1.740  -9.712  1.00 27.99 ? 306 HOH B O   1 
HETATM 1588 O  O   . HOH E 5 .   ? -45.458 0.058   -11.784 1.00 25.53 ? 307 HOH B O   1 
HETATM 1589 O  O   . HOH E 5 .   ? -40.050 -1.085  -9.694  1.00 29.62 ? 308 HOH B O   1 
HETATM 1590 O  O   . HOH E 5 .   ? -29.522 -12.454 -37.599 1.00 24.14 ? 309 HOH B O   1 
HETATM 1591 O  O   . HOH E 5 .   ? -13.519 -23.525 -31.459 1.00 15.67 ? 310 HOH B O   1 
HETATM 1592 O  O   . HOH E 5 .   ? -18.666 -22.016 -35.691 1.00 18.10 ? 311 HOH B O   1 
HETATM 1593 O  O   . HOH E 5 .   ? -37.975 2.862   -22.713 1.00 19.31 ? 312 HOH B O   1 
HETATM 1594 O  O   . HOH E 5 .   ? -32.945 1.124   -33.442 1.00 18.67 ? 313 HOH B O   1 
HETATM 1595 O  O   . HOH E 5 .   ? -38.304 3.786   -41.845 1.00 32.43 ? 314 HOH B O   1 
HETATM 1596 O  O   . HOH E 5 .   ? -36.233 5.500   -15.820 1.00 22.99 ? 315 HOH B O   1 
HETATM 1597 O  O   . HOH E 5 .   ? -35.960 -22.426 -19.502 1.00 26.16 ? 316 HOH B O   1 
HETATM 1598 O  O   . HOH E 5 .   ? -15.560 -5.346  -13.569 1.00 31.88 ? 317 HOH B O   1 
HETATM 1599 O  O   . HOH E 5 .   ? -8.960  -13.473 -25.145 1.00 34.06 ? 318 HOH B O   1 
HETATM 1600 O  O   . HOH E 5 .   ? -36.686 -23.084 -30.668 1.00 30.84 ? 319 HOH B O   1 
HETATM 1601 O  O   . HOH E 5 .   ? -26.151 3.504   -35.186 1.00 31.83 ? 320 HOH B O   1 
HETATM 1602 O  O   . HOH E 5 .   ? -13.692 -20.997 -35.169 1.00 32.80 ? 321 HOH B O   1 
HETATM 1603 O  O   . HOH E 5 .   ? -45.031 7.406   -24.708 1.00 35.74 ? 322 HOH B O   1 
HETATM 1604 O  O   . HOH E 5 .   ? -35.746 -19.191 -30.369 1.00 36.25 ? 323 HOH B O   1 
HETATM 1605 O  O   . HOH E 5 .   ? -30.219 -24.045 -33.694 1.00 25.84 ? 324 HOH B O   1 
HETATM 1606 O  O   . HOH E 5 .   ? -36.834 -16.325 -39.262 1.00 27.23 ? 325 HOH B O   1 
HETATM 1607 O  O   . HOH E 5 .   ? -49.743 -1.966  -19.219 1.00 26.23 ? 326 HOH B O   1 
HETATM 1608 O  O   . HOH E 5 .   ? -19.243 -29.737 -15.696 1.00 31.79 ? 327 HOH B O   1 
HETATM 1609 O  O   . HOH E 5 .   ? -30.727 -6.634  -11.195 1.00 14.10 ? 328 HOH B O   1 
HETATM 1610 O  O   . HOH E 5 .   ? -12.607 -21.206 -18.627 1.00 28.45 ? 329 HOH B O   1 
HETATM 1611 O  O   . HOH E 5 .   ? -23.839 1.202   -10.712 1.00 35.28 ? 330 HOH B O   1 
HETATM 1612 O  O   . HOH E 5 .   ? -24.656 -30.884 -21.883 1.00 32.82 ? 331 HOH B O   1 
HETATM 1613 O  O   . HOH E 5 .   ? -16.103 -19.598 -15.588 1.00 25.04 ? 332 HOH B O   1 
HETATM 1614 O  O   . HOH E 5 .   ? -17.571 -21.268 -12.306 1.00 18.63 ? 333 HOH B O   1 
HETATM 1615 O  O   . HOH E 5 .   ? -37.256 -25.518 -11.269 1.00 33.90 ? 334 HOH B O   1 
HETATM 1616 O  O   . HOH E 5 .   ? -26.454 1.918   -10.933 1.00 34.17 ? 335 HOH B O   1 
HETATM 1617 O  O   . HOH E 5 .   ? -42.975 -15.364 -10.117 1.00 22.27 ? 336 HOH B O   1 
HETATM 1618 O  O   . HOH E 5 .   ? -47.272 1.283   -25.479 1.00 32.21 ? 337 HOH B O   1 
HETATM 1619 O  O   . HOH E 5 .   ? -30.818 -20.286 -21.239 1.00 12.16 ? 338 HOH B O   1 
HETATM 1620 O  O   . HOH E 5 .   ? -25.861 -22.704 -35.535 1.00 26.39 ? 339 HOH B O   1 
HETATM 1621 O  O   . HOH E 5 .   ? -30.686 1.228   -16.916 1.00 29.46 ? 340 HOH B O   1 
HETATM 1622 O  O   . HOH E 5 .   ? -17.818 -19.867 -37.425 1.00 31.83 ? 341 HOH B O   1 
HETATM 1623 O  O   . HOH E 5 .   ? -18.479 -4.605  -24.667 1.00 17.89 ? 342 HOH B O   1 
HETATM 1624 O  O   . HOH E 5 .   ? -37.886 -14.437 -21.337 1.00 32.24 ? 343 HOH B O   1 
HETATM 1625 O  O   . HOH E 5 .   ? -19.327 -4.292  -21.991 1.00 15.53 ? 344 HOH B O   1 
HETATM 1626 O  O   . HOH E 5 .   ? -25.360 -14.297 -3.309  1.00 33.07 ? 345 HOH B O   1 
HETATM 1627 O  O   . HOH E 5 .   ? -32.775 -18.302 -37.145 1.00 35.77 ? 346 HOH B O   1 
HETATM 1628 O  O   . HOH E 5 .   ? -17.557 -27.597 -19.560 1.00 19.29 ? 347 HOH B O   1 
HETATM 1629 O  O   . HOH E 5 .   ? -36.750 -26.028 -23.665 1.00 34.43 ? 348 HOH B O   1 
HETATM 1630 O  O   . HOH E 5 .   ? -38.725 -2.490  -21.253 1.00 14.48 ? 349 HOH B O   1 
HETATM 1631 O  O   . HOH E 5 .   ? -38.560 -7.632  -10.656 1.00 15.32 ? 350 HOH B O   1 
HETATM 1632 O  O   . HOH E 5 .   ? -19.351 -26.093 -31.723 1.00 18.67 ? 351 HOH B O   1 
HETATM 1633 O  O   . HOH E 5 .   ? -12.885 -18.491 -34.767 1.00 36.39 ? 352 HOH B O   1 
HETATM 1634 O  O   . HOH E 5 .   ? -34.136 -21.988 -31.224 1.00 18.82 ? 353 HOH B O   1 
HETATM 1635 O  O   . HOH E 5 .   ? -26.544 -25.697 -16.330 1.00 17.89 ? 354 HOH B O   1 
HETATM 1636 O  O   . HOH E 5 .   ? -23.320 4.371   -24.537 1.00 23.29 ? 355 HOH B O   1 
HETATM 1637 O  O   . HOH E 5 .   ? -10.895 -21.109 -25.126 1.00 27.66 ? 356 HOH B O   1 
HETATM 1638 O  O   . HOH E 5 .   ? -27.743 -27.435 -25.792 1.00 26.58 ? 357 HOH B O   1 
HETATM 1639 O  O   . HOH E 5 .   ? -41.829 1.478   -22.543 1.00 30.28 ? 358 HOH B O   1 
HETATM 1640 O  O   . HOH E 5 .   ? -40.945 -9.334  -36.600 1.00 25.18 ? 359 HOH B O   1 
HETATM 1641 O  O   . HOH E 5 .   ? -16.576 -5.553  -9.268  1.00 34.53 ? 360 HOH B O   1 
HETATM 1642 O  O   . HOH E 5 .   ? -36.239 -1.808  -33.729 1.00 20.17 ? 361 HOH B O   1 
HETATM 1643 O  O   . HOH E 5 .   ? -26.696 -17.621 -7.708  1.00 16.51 ? 362 HOH B O   1 
HETATM 1644 O  O   . HOH E 5 .   ? -45.211 -12.288 -26.418 1.00 31.72 ? 363 HOH B O   1 
HETATM 1645 O  O   . HOH E 5 .   ? -42.611 -5.772  -12.309 1.00 21.36 ? 364 HOH B O   1 
HETATM 1646 O  O   . HOH E 5 .   ? -10.212 -23.442 -21.740 1.00 27.23 ? 365 HOH B O   1 
HETATM 1647 O  O   . HOH E 5 .   ? -35.489 -4.671  -42.083 1.00 21.83 ? 366 HOH B O   1 
HETATM 1648 O  O   . HOH E 5 .   ? -36.964 0.815   -15.480 1.00 16.29 ? 367 HOH B O   1 
HETATM 1649 O  O   . HOH E 5 .   ? -42.185 -3.979  -39.322 1.00 21.20 ? 368 HOH B O   1 
HETATM 1650 O  O   . HOH E 5 .   ? -40.741 -14.536 -8.472  1.00 26.24 ? 369 HOH B O   1 
HETATM 1651 O  O   . HOH E 5 .   ? -40.266 -14.328 -31.256 1.00 14.07 ? 370 HOH B O   1 
HETATM 1652 O  O   . HOH E 5 .   ? -35.433 -17.097 -8.054  1.00 40.09 ? 371 HOH B O   1 
HETATM 1653 O  O   . HOH E 5 .   ? -23.233 2.351   -22.901 1.00 28.31 ? 372 HOH B O   1 
HETATM 1654 O  O   . HOH E 5 .   ? -20.903 -16.246 -5.408  1.00 18.66 ? 373 HOH B O   1 
HETATM 1655 O  O   . HOH E 5 .   ? -27.150 -20.251 -6.927  1.00 18.65 ? 374 HOH B O   1 
HETATM 1656 O  O   . HOH E 5 .   ? -14.963 -19.741 -37.417 1.00 29.05 ? 375 HOH B O   1 
HETATM 1657 O  O   . HOH E 5 .   ? -45.728 -19.587 -31.414 1.00 30.09 ? 376 HOH B O   1 
HETATM 1658 O  O   . HOH E 5 .   ? -19.728 1.813   -30.409 1.00 31.02 ? 377 HOH B O   1 
HETATM 1659 O  O   . HOH E 5 .   ? -17.800 -4.333  -5.867  1.00 39.69 ? 378 HOH B O   1 
HETATM 1660 O  O   . HOH E 5 .   ? -36.451 -0.975  -21.990 1.00 13.26 ? 379 HOH B O   1 
HETATM 1661 O  O   . HOH E 5 .   ? -41.012 -6.004  -37.940 1.00 28.62 ? 380 HOH B O   1 
HETATM 1662 O  O   . HOH E 5 .   ? -45.746 -14.776 -27.450 1.00 36.10 ? 381 HOH B O   1 
HETATM 1663 O  O   . HOH E 5 .   ? -36.581 -0.265  -42.347 1.00 34.44 ? 382 HOH B O   1 
HETATM 1664 O  O   . HOH E 5 .   ? -32.236 -4.955  -12.810 1.00 13.18 ? 383 HOH B O   1 
HETATM 1665 O  O   . HOH E 5 .   ? -23.924 -12.343 -6.536  1.00 18.03 ? 384 HOH B O   1 
HETATM 1666 O  O   . HOH E 5 .   ? -33.448 -1.843  -38.356 1.00 26.24 ? 385 HOH B O   1 
HETATM 1667 O  O   . HOH E 5 .   ? -41.337 -7.871  -3.270  1.00 40.86 ? 386 HOH B O   1 
HETATM 1668 O  O   . HOH E 5 .   ? -18.234 -17.264 -36.180 1.00 26.31 ? 387 HOH B O   1 
HETATM 1669 O  O   . HOH E 5 .   ? -45.888 -4.315  -33.832 1.00 22.05 ? 388 HOH B O   1 
HETATM 1670 O  O   . HOH E 5 .   ? -25.277 -10.453 -23.484 1.00 12.64 ? 389 HOH B O   1 
HETATM 1671 O  O   . HOH E 5 .   ? -40.721 6.287   -33.050 1.00 27.27 ? 390 HOH B O   1 
HETATM 1672 O  O   . HOH E 5 .   ? -33.920 5.226   -17.218 1.00 49.52 ? 391 HOH B O   1 
HETATM 1673 O  O   . HOH E 5 .   ? -41.379 -8.487  -13.286 1.00 20.05 ? 392 HOH B O   1 
HETATM 1674 O  O   . HOH E 5 .   ? -18.998 -29.029 -23.321 1.00 25.85 ? 393 HOH B O   1 
HETATM 1675 O  O   . HOH E 5 .   ? -33.360 -14.860 -6.875  1.00 22.29 ? 394 HOH B O   1 
HETATM 1676 O  O   . HOH E 5 .   ? -23.713 -21.030 -38.785 1.00 21.59 ? 395 HOH B O   1 
HETATM 1677 O  O   . HOH E 5 .   ? -20.945 -5.742  -2.044  1.00 44.38 ? 396 HOH B O   1 
HETATM 1678 O  O   . HOH E 5 .   ? -14.468 -16.536 -33.189 1.00 33.04 ? 397 HOH B O   1 
HETATM 1679 O  O   . HOH E 5 .   ? -9.271  -16.083 -26.440 1.00 29.51 ? 398 HOH B O   1 
HETATM 1680 O  O   . HOH E 5 .   ? -24.790 -14.993 -6.735  1.00 16.98 ? 399 HOH B O   1 
HETATM 1681 O  O   . HOH E 5 .   ? -31.505 3.497   -26.745 1.00 23.98 ? 400 HOH B O   1 
HETATM 1682 O  O   . HOH E 5 .   ? -25.771 -26.962 -23.751 1.00 17.29 ? 401 HOH B O   1 
HETATM 1683 O  O   . HOH E 5 .   ? -41.553 -9.849  -43.709 1.00 33.13 ? 402 HOH B O   1 
HETATM 1684 O  O   . HOH E 5 .   ? -39.908 2.761   -16.072 1.00 15.83 ? 403 HOH B O   1 
HETATM 1685 O  O   . HOH E 5 .   ? -24.319 -4.197  -36.805 1.00 36.27 ? 404 HOH B O   1 
HETATM 1686 O  O   . HOH E 5 .   ? -13.267 -6.292  -29.236 1.00 33.17 ? 405 HOH B O   1 
HETATM 1687 O  O   . HOH E 5 .   ? -41.051 -8.813  -19.225 1.00 16.32 ? 406 HOH B O   1 
HETATM 1688 O  O   . HOH E 5 .   ? -24.690 -11.064 -4.114  1.00 22.51 ? 407 HOH B O   1 
HETATM 1689 O  O   . HOH E 5 .   ? -17.897 -16.015 -6.084  1.00 23.57 ? 408 HOH B O   1 
HETATM 1690 O  O   . HOH E 5 .   ? -28.842 7.810   -29.900 1.00 28.73 ? 409 HOH B O   1 
HETATM 1691 O  O   . HOH E 5 .   ? -9.251  -20.753 -28.779 1.00 38.95 ? 410 HOH B O   1 
HETATM 1692 O  O   . HOH E 5 .   ? -39.975 -11.465 -22.711 1.00 30.82 ? 411 HOH B O   1 
HETATM 1693 O  O   . HOH E 5 .   ? -42.372 -5.075  -43.615 1.00 21.10 ? 412 HOH B O   1 
HETATM 1694 O  O   . HOH E 5 .   ? -41.191 5.425   -28.323 1.00 31.02 ? 413 HOH B O   1 
HETATM 1695 O  O   . HOH E 5 .   ? -34.202 -22.001 -36.399 1.00 45.38 ? 414 HOH B O   1 
HETATM 1696 O  O   . HOH E 5 .   ? -15.971 -14.719 -8.559  1.00 34.00 ? 415 HOH B O   1 
HETATM 1697 O  O   . HOH E 5 .   ? -40.340 -7.449  -34.676 1.00 20.43 ? 416 HOH B O   1 
HETATM 1698 O  O   . HOH E 5 .   ? -31.002 4.094   -24.286 1.00 23.56 ? 417 HOH B O   1 
HETATM 1699 O  O   . HOH E 5 .   ? -17.818 -11.104 -35.502 1.00 26.91 ? 418 HOH B O   1 
HETATM 1700 O  O   . HOH E 5 .   ? -52.346 -14.214 -28.884 1.00 46.42 ? 419 HOH B O   1 
HETATM 1701 O  O   . HOH E 5 .   ? -43.300 3.753   -18.775 1.00 20.27 ? 420 HOH B O   1 
HETATM 1702 O  O   . HOH E 5 .   ? -38.632 3.970   -13.667 1.00 31.90 ? 421 HOH B O   1 
HETATM 1703 O  O   . HOH E 5 .   ? -15.915 -11.963 -5.318  1.00 42.65 ? 422 HOH B O   1 
HETATM 1704 O  O   . HOH E 5 .   ? -19.864 2.296   -23.945 1.00 37.58 ? 423 HOH B O   1 
HETATM 1705 O  O   . HOH E 5 .   ? -34.318 -7.149  -7.701  1.00 32.12 ? 424 HOH B O   1 
HETATM 1706 O  O   . HOH E 5 .   ? -35.706 -2.814  -9.814  1.00 54.88 ? 425 HOH B O   1 
HETATM 1707 O  O   . HOH E 5 .   ? -34.677 -9.068  -6.037  1.00 44.72 ? 426 HOH B O   1 
HETATM 1708 O  O   . HOH E 5 .   ? -47.704 0.000   -32.643 0.50 24.06 ? 427 HOH B O   1 
HETATM 1709 O  O   . HOH E 5 .   ? -25.234 7.118   -28.692 1.00 28.64 ? 428 HOH B O   1 
HETATM 1710 O  O   . HOH E 5 .   ? -15.975 -7.348  -11.172 1.00 29.90 ? 429 HOH B O   1 
HETATM 1711 O  O   . HOH E 5 .   ? -32.754 -23.672 -33.219 1.00 34.32 ? 430 HOH B O   1 
HETATM 1712 O  O   . HOH E 5 .   ? -30.752 -17.331 -42.664 1.00 35.48 ? 431 HOH B O   1 
HETATM 1713 O  O   . HOH E 5 .   ? -36.661 -6.695  -8.788  1.00 33.40 ? 432 HOH B O   1 
HETATM 1714 O  O   . HOH E 5 .   ? -8.402  -22.947 -30.172 1.00 31.60 ? 433 HOH B O   1 
HETATM 1715 O  O   . HOH E 5 .   ? -26.200 -28.188 -21.415 1.00 36.27 ? 434 HOH B O   1 
HETATM 1716 O  O   . HOH E 5 .   ? -21.579 6.953   -32.155 1.00 32.54 ? 435 HOH B O   1 
HETATM 1717 O  O   . HOH E 5 .   ? -40.072 5.177   -22.032 1.00 29.20 ? 436 HOH B O   1 
HETATM 1718 O  O   . HOH E 5 .   ? -22.823 3.433   -20.528 1.00 37.34 ? 437 HOH B O   1 
HETATM 1719 O  O   . HOH E 5 .   ? -38.700 -16.429 -40.877 1.00 38.72 ? 438 HOH B O   1 
HETATM 1720 O  O   . HOH E 5 .   ? -36.757 2.101   -43.218 1.00 47.38 ? 439 HOH B O   1 
HETATM 1721 O  O   . HOH E 5 .   ? -15.871 -22.245 -14.485 1.00 29.42 ? 440 HOH B O   1 
HETATM 1722 O  O   . HOH E 5 .   ? -28.369 -27.715 -16.756 1.00 27.15 ? 441 HOH B O   1 
HETATM 1723 O  O   . HOH E 5 .   ? -15.873 -26.932 -17.135 1.00 37.61 ? 442 HOH B O   1 
HETATM 1724 O  O   . HOH E 5 .   ? -26.426 -31.191 -23.870 1.00 29.19 ? 443 HOH B O   1 
HETATM 1725 O  O   . HOH E 5 .   ? -42.087 -13.026 -22.281 1.00 33.96 ? 444 HOH B O   1 
# 
