data_7HMN
# 
_entry.id   7HMN 
# 
_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   7HMN         pdb_00007hmn 10.2210/pdb7hmn/pdb 
WWPDB D_1001407665 ?            ?                   
# 
_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                        7HMN 
_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 1,2-ETHANEDIOL                                        62.068    2   ?        ? ? ? 
3 non-polymer syn '5-(methoxymethyl)-1,3,4-thiadiazol-2-amine'          145.183   1   ?        ? ? ? 
4 non-polymer syn '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' 238.305   1   ?        ? ? ? 
5 non-polymer syn 'SULFATE ION'                                         96.063    1   ?        ? ? ? 
6 water       nat water                                                 18.015    141 ?        ? ? ? 
# 
_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 1,2-ETHANEDIOL                                        EDO 
3 '5-(methoxymethyl)-1,3,4-thiadiazol-2-amine'          UVS 
4 '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' EPE 
5 'SULFATE ION'                                         SO4 
6 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  
EPE non-polymer         . '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' HEPES             'C8 H18 N2 O4 S' 238.305 
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 
UVS non-polymer         . '5-(methoxymethyl)-1,3,4-thiadiazol-2-amine'          ?                 'C4 H7 N3 O S'   145.183 
VAL 'L-peptide linking' y VALINE                                                ?                 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        UVS 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   UVS 
_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 EDO 1   201 202 EDO EDO B . 
C 3 UVS 1   202 401 UVS LIG B . 
D 4 EPE 1   203 402 EPE EPE B . 
E 2 EDO 1   204 305 EDO EDO B . 
F 5 SO4 1   205 1   SO4 SO4 B . 
G 6 HOH 1   301 12  HOH HOH B . 
G 6 HOH 2   302 2   HOH HOH B . 
G 6 HOH 3   303 11  HOH HOH B . 
G 6 HOH 4   304 4   HOH HOH B . 
G 6 HOH 5   305 29  HOH HOH B . 
G 6 HOH 6   306 26  HOH HOH B . 
G 6 HOH 7   307 1   HOH HOH B . 
G 6 HOH 8   308 21  HOH HOH B . 
G 6 HOH 9   309 33  HOH HOH B . 
G 6 HOH 10  310 99  HOH HOH B . 
G 6 HOH 11  311 63  HOH HOH B . 
G 6 HOH 12  312 16  HOH HOH B . 
G 6 HOH 13  313 40  HOH HOH B . 
G 6 HOH 14  314 51  HOH HOH B . 
G 6 HOH 15  315 214 HOH HOH B . 
G 6 HOH 16  316 120 HOH HOH B . 
G 6 HOH 17  317 90  HOH HOH B . 
G 6 HOH 18  318 25  HOH HOH B . 
G 6 HOH 19  319 27  HOH HOH B . 
G 6 HOH 20  320 16  HOH HOH B . 
G 6 HOH 21  321 80  HOH HOH B . 
G 6 HOH 22  322 5   HOH HOH B . 
G 6 HOH 23  323 95  HOH HOH B . 
G 6 HOH 24  324 31  HOH HOH B . 
G 6 HOH 25  325 27  HOH HOH B . 
G 6 HOH 26  326 10  HOH HOH B . 
G 6 HOH 27  327 39  HOH HOH B . 
G 6 HOH 28  328 129 HOH HOH B . 
G 6 HOH 29  329 89  HOH HOH B . 
G 6 HOH 30  330 184 HOH HOH B . 
G 6 HOH 31  331 36  HOH HOH B . 
G 6 HOH 32  332 11  HOH HOH B . 
G 6 HOH 33  333 68  HOH HOH B . 
G 6 HOH 34  334 18  HOH HOH B . 
G 6 HOH 35  335 126 HOH HOH B . 
G 6 HOH 36  336 100 HOH HOH B . 
G 6 HOH 37  337 62  HOH HOH B . 
G 6 HOH 38  338 20  HOH HOH B . 
G 6 HOH 39  339 43  HOH HOH B . 
G 6 HOH 40  340 72  HOH HOH B . 
G 6 HOH 41  341 267 HOH HOH B . 
G 6 HOH 42  342 2   HOH HOH B . 
G 6 HOH 43  343 55  HOH HOH B . 
G 6 HOH 44  344 19  HOH HOH B . 
G 6 HOH 45  345 211 HOH HOH B . 
G 6 HOH 46  346 34  HOH HOH B . 
G 6 HOH 47  347 70  HOH HOH B . 
G 6 HOH 48  348 66  HOH HOH B . 
G 6 HOH 49  349 58  HOH HOH B . 
G 6 HOH 50  350 32  HOH HOH B . 
G 6 HOH 51  351 102 HOH HOH B . 
G 6 HOH 52  352 15  HOH HOH B . 
G 6 HOH 53  353 85  HOH HOH B . 
G 6 HOH 54  354 22  HOH HOH B . 
G 6 HOH 55  355 7   HOH HOH B . 
G 6 HOH 56  356 86  HOH HOH B . 
G 6 HOH 57  357 157 HOH HOH B . 
G 6 HOH 58  358 29  HOH HOH B . 
G 6 HOH 59  359 76  HOH HOH B . 
G 6 HOH 60  360 26  HOH HOH B . 
G 6 HOH 61  361 73  HOH HOH B . 
G 6 HOH 62  362 6   HOH HOH B . 
G 6 HOH 63  363 50  HOH HOH B . 
G 6 HOH 64  364 71  HOH HOH B . 
G 6 HOH 65  365 10  HOH HOH B . 
G 6 HOH 66  366 81  HOH HOH B . 
G 6 HOH 67  367 281 HOH HOH B . 
G 6 HOH 68  368 264 HOH HOH B . 
G 6 HOH 69  369 47  HOH HOH B . 
G 6 HOH 70  370 13  HOH HOH B . 
G 6 HOH 71  371 137 HOH HOH B . 
G 6 HOH 72  372 61  HOH HOH B . 
G 6 HOH 73  373 59  HOH HOH B . 
G 6 HOH 74  374 14  HOH HOH B . 
G 6 HOH 75  375 172 HOH HOH B . 
G 6 HOH 76  376 263 HOH HOH B . 
G 6 HOH 77  377 1   HOH HOH B . 
G 6 HOH 78  378 93  HOH HOH B . 
G 6 HOH 79  379 304 HOH HOH B . 
G 6 HOH 80  380 3   HOH HOH B . 
G 6 HOH 81  381 33  HOH HOH B . 
G 6 HOH 82  382 8   HOH HOH B . 
G 6 HOH 83  383 32  HOH HOH B . 
G 6 HOH 84  384 4   HOH HOH B . 
G 6 HOH 85  385 156 HOH HOH B . 
G 6 HOH 86  386 3   HOH HOH B . 
G 6 HOH 87  387 42  HOH HOH B . 
G 6 HOH 88  388 46  HOH HOH B . 
G 6 HOH 89  389 64  HOH HOH B . 
G 6 HOH 90  390 97  HOH HOH B . 
G 6 HOH 91  391 25  HOH HOH B . 
G 6 HOH 92  392 24  HOH HOH B . 
G 6 HOH 93  393 30  HOH HOH B . 
G 6 HOH 94  394 12  HOH HOH B . 
G 6 HOH 95  395 8   HOH HOH B . 
G 6 HOH 96  396 5   HOH HOH B . 
G 6 HOH 97  397 23  HOH HOH B . 
G 6 HOH 98  398 303 HOH HOH B . 
G 6 HOH 99  399 60  HOH HOH B . 
G 6 HOH 100 400 48  HOH HOH B . 
G 6 HOH 101 401 49  HOH HOH B . 
G 6 HOH 102 402 56  HOH HOH B . 
G 6 HOH 103 403 140 HOH HOH B . 
G 6 HOH 104 404 154 HOH HOH B . 
G 6 HOH 105 405 18  HOH HOH B . 
G 6 HOH 106 406 7   HOH HOH B . 
G 6 HOH 107 407 45  HOH HOH B . 
G 6 HOH 108 408 197 HOH HOH B . 
G 6 HOH 109 409 54  HOH HOH B . 
G 6 HOH 110 410 15  HOH HOH B . 
G 6 HOH 111 411 20  HOH HOH B . 
G 6 HOH 112 412 125 HOH HOH B . 
G 6 HOH 113 413 22  HOH HOH B . 
G 6 HOH 114 414 38  HOH HOH B . 
G 6 HOH 115 415 103 HOH HOH B . 
G 6 HOH 116 416 17  HOH HOH B . 
G 6 HOH 117 417 257 HOH HOH B . 
G 6 HOH 118 418 41  HOH HOH B . 
G 6 HOH 119 419 69  HOH HOH B . 
G 6 HOH 120 420 44  HOH HOH B . 
G 6 HOH 121 421 53  HOH HOH B . 
G 6 HOH 122 422 133 HOH HOH B . 
G 6 HOH 123 423 57  HOH HOH B . 
G 6 HOH 124 424 30  HOH HOH B . 
G 6 HOH 125 425 19  HOH HOH B . 
G 6 HOH 126 426 112 HOH HOH B . 
G 6 HOH 127 427 114 HOH HOH B . 
G 6 HOH 128 428 266 HOH HOH B . 
G 6 HOH 129 429 115 HOH HOH B . 
G 6 HOH 130 430 21  HOH HOH B . 
G 6 HOH 131 431 23  HOH HOH B . 
G 6 HOH 132 432 13  HOH HOH B . 
G 6 HOH 133 433 98  HOH HOH B . 
G 6 HOH 134 434 104 HOH HOH B . 
G 6 HOH 135 435 166 HOH HOH B . 
G 6 HOH 136 436 205 HOH HOH B . 
G 6 HOH 137 437 127 HOH HOH B . 
G 6 HOH 138 438 259 HOH HOH B . 
G 6 HOH 139 439 131 HOH HOH B . 
G 6 HOH 140 440 14  HOH HOH B . 
G 6 HOH 141 441 270 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           7HMN 
_cell.length_a           95.390 
_cell.length_b           95.390 
_cell.length_c           45.700 
_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                         7HMN 
_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          7HMN 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.90 
_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   2024-05-24 
_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   0.92124 
_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        0.92124 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HMN 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             33.720 
_reflns.d_resolution_high            1.330 
_reflns.number_obs                   47236 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         99.900 
_reflns.pdbx_Rmerge_I_obs            0.085 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        13.300 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.600 
_reflns.pdbx_Rrim_I_all              0.088 
_reflns.pdbx_Rpim_I_all              0.025 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     547600 
_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 1.330 1.350  ? 11176 2274 ? 1.524 ? ? ? 4.900  ? 0.400  ? ? ? ? ? ? 97.600 1.711 0.748 0.337 
1 2 7.290 33.720 ? 3807  314  ? 0.044 ? ? ? 12.100 ? 69.200 ? ? ? ? ? ? 99.200 0.046 0.014 0.997 
# 
_refine.entry_id                                 7HMN 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.3300 
_refine.ls_d_res_low                             33.7500 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.8000 
_refine.ls_number_reflns_obs                     44924 
_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                          0.1829 
_refine.ls_R_factor_R_work                       0.1819 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2019 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2269 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               19.4520 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            -0.0000 
_refine.aniso_B[2][2]                            -0.0000 
_refine.aniso_B[3][3]                            0.0000 
_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               0.9690 
_refine.correlation_coeff_Fo_to_Fc_free          0.9620 
_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                       0.0560 
_refine.pdbx_overall_ESU_R_Free                  0.0570 
_refine.overall_SU_ML                            0.0500 
_refine.overall_SU_B                             1.3550 
_refine.solvent_model_details                    MASK 
_refine.pdbx_solvent_vdw_probe_radii             1.2000 
_refine.pdbx_solvent_ion_probe_radii             0.8000 
_refine.pdbx_solvent_shrinkage_radii             0.8000 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          'FOURIER SYNTHESIS' 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.B_iso_max                                89.080 
_refine.B_iso_min                                10.290 
_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                       1.3300 
_refine_hist.d_res_low                        33.7500 
_refine_hist.pdbx_number_atoms_ligand         37 
_refine_hist.number_atoms_solvent             141 
_refine_hist.number_atoms_total               1671 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           41.23 
_refine_hist.pdbx_B_iso_mean_solvent          29.86 
_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       2063 0.012  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1638 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2570 1.745  1.642  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3790 1.444  1.580  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  6.947  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 110  27.700 21.455 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 288  11.981 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   20.472 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         220  0.088  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2274 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     496  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            974  1.599  1.720  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.596  1.703  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 2.580  2.557  ? ? 
# 
_refine_ls_shell.d_res_high                       1.3300 
_refine_ls_shell.d_res_low                        1.3650 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               98.0000 
_refine_ls_shell.number_reflns_R_work             3284 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3670 
_refine_ls_shell.R_factor_R_free                  0.4040 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             147 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3431 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HMN 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z57478994' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HMN 
_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 2 ? 
F N N 5 ? 
G N N 6 ? 
# 
_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              7HMN 
_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 7HMN MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HMN HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HMN HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HMN HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HMN HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HMN HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HMN HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HMN 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,F,G 
# 
_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       0.22 
# 
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 VAL A 139 ? N VAL B 145 O PHE A 154 ? O PHE B 160 
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                   7HMN 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                126.94 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            15.14 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 SER B 67  ? B 179.06  158.80 
2 1 ASP B 152 ? ? -108.32 52.70  
# 
_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   G 
_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  
EPE N1   N N N 98  
EPE C2   C N N 99  
EPE C3   C N N 100 
EPE N4   N N N 101 
EPE C5   C N N 102 
EPE C6   C N N 103 
EPE C7   C N N 104 
EPE C8   C N N 105 
EPE O8   O N N 106 
EPE C9   C N N 107 
EPE C10  C N N 108 
EPE S    S N N 109 
EPE O1S  O N N 110 
EPE O2S  O N N 111 
EPE O3S  O N N 112 
EPE H21  H N N 113 
EPE H22  H N N 114 
EPE H31  H N N 115 
EPE H32  H N N 116 
EPE H51  H N N 117 
EPE H52  H N N 118 
EPE H61  H N N 119 
EPE H62  H N N 120 
EPE H71  H N N 121 
EPE H72  H N N 122 
EPE H81  H N N 123 
EPE H82  H N N 124 
EPE HO8  H N N 125 
EPE H91  H N N 126 
EPE H92  H N N 127 
EPE H101 H N N 128 
EPE H102 H N N 129 
EPE HOS3 H N N 130 
GLN N    N N N 131 
GLN CA   C N S 132 
GLN C    C N N 133 
GLN O    O N N 134 
GLN CB   C N N 135 
GLN CG   C N N 136 
GLN CD   C N N 137 
GLN OE1  O N N 138 
GLN NE2  N N N 139 
GLN OXT  O N N 140 
GLN H    H N N 141 
GLN H2   H N N 142 
GLN HA   H N N 143 
GLN HB2  H N N 144 
GLN HB3  H N N 145 
GLN HG2  H N N 146 
GLN HG3  H N N 147 
GLN HE21 H N N 148 
GLN HE22 H N N 149 
GLN HXT  H N N 150 
GLU N    N N N 151 
GLU CA   C N S 152 
GLU C    C N N 153 
GLU O    O N N 154 
GLU CB   C N N 155 
GLU CG   C N N 156 
GLU CD   C N N 157 
GLU OE1  O N N 158 
GLU OE2  O N N 159 
GLU OXT  O N N 160 
GLU H    H N N 161 
GLU H2   H N N 162 
GLU HA   H N N 163 
GLU HB2  H N N 164 
GLU HB3  H N N 165 
GLU HG2  H N N 166 
GLU HG3  H N N 167 
GLU HE2  H N N 168 
GLU HXT  H N N 169 
GLY N    N N N 170 
GLY CA   C N N 171 
GLY C    C N N 172 
GLY O    O N N 173 
GLY OXT  O N N 174 
GLY H    H N N 175 
GLY H2   H N N 176 
GLY HA2  H N N 177 
GLY HA3  H N N 178 
GLY HXT  H N N 179 
HIS N    N N N 180 
HIS CA   C N S 181 
HIS C    C N N 182 
HIS O    O N N 183 
HIS CB   C N N 184 
HIS CG   C Y N 185 
HIS ND1  N Y N 186 
HIS CD2  C Y N 187 
HIS CE1  C Y N 188 
HIS NE2  N Y N 189 
HIS OXT  O N N 190 
HIS H    H N N 191 
HIS H2   H N N 192 
HIS HA   H N N 193 
HIS HB2  H N N 194 
HIS HB3  H N N 195 
HIS HD1  H N N 196 
HIS HD2  H N N 197 
HIS HE1  H N N 198 
HIS HE2  H N N 199 
HIS HXT  H N N 200 
HOH O    O N N 201 
HOH H1   H N N 202 
HOH H2   H N N 203 
ILE N    N N N 204 
ILE CA   C N S 205 
ILE C    C N N 206 
ILE O    O N N 207 
ILE CB   C N S 208 
ILE CG1  C N N 209 
ILE CG2  C N N 210 
ILE CD1  C N N 211 
ILE OXT  O N N 212 
ILE H    H N N 213 
ILE H2   H N N 214 
ILE HA   H N N 215 
ILE HB   H N N 216 
ILE HG12 H N N 217 
ILE HG13 H N N 218 
ILE HG21 H N N 219 
ILE HG22 H N N 220 
ILE HG23 H N N 221 
ILE HD11 H N N 222 
ILE HD12 H N N 223 
ILE HD13 H N N 224 
ILE HXT  H N N 225 
LEU N    N N N 226 
LEU CA   C N S 227 
LEU C    C N N 228 
LEU O    O N N 229 
LEU CB   C N N 230 
LEU CG   C N N 231 
LEU CD1  C N N 232 
LEU CD2  C N N 233 
LEU OXT  O N N 234 
LEU H    H N N 235 
LEU H2   H N N 236 
LEU HA   H N N 237 
LEU HB2  H N N 238 
LEU HB3  H N N 239 
LEU HG   H N N 240 
LEU HD11 H N N 241 
LEU HD12 H N N 242 
LEU HD13 H N N 243 
LEU HD21 H N N 244 
LEU HD22 H N N 245 
LEU HD23 H N N 246 
LEU HXT  H N N 247 
LYS N    N N N 248 
LYS CA   C N S 249 
LYS C    C N N 250 
LYS O    O N N 251 
LYS CB   C N N 252 
LYS CG   C N N 253 
LYS CD   C N N 254 
LYS CE   C N N 255 
LYS NZ   N N N 256 
LYS OXT  O N N 257 
LYS H    H N N 258 
LYS H2   H N N 259 
LYS HA   H N N 260 
LYS HB2  H N N 261 
LYS HB3  H N N 262 
LYS HG2  H N N 263 
LYS HG3  H N N 264 
LYS HD2  H N N 265 
LYS HD3  H N N 266 
LYS HE2  H N N 267 
LYS HE3  H N N 268 
LYS HZ1  H N N 269 
LYS HZ2  H N N 270 
LYS HZ3  H N N 271 
LYS HXT  H N N 272 
MET N    N N N 273 
MET CA   C N S 274 
MET C    C N N 275 
MET O    O N N 276 
MET CB   C N N 277 
MET CG   C N N 278 
MET SD   S N N 279 
MET CE   C N N 280 
MET OXT  O N N 281 
MET H    H N N 282 
MET H2   H N N 283 
MET HA   H N N 284 
MET HB2  H N N 285 
MET HB3  H N N 286 
MET HG2  H N N 287 
MET HG3  H N N 288 
MET HE1  H N N 289 
MET HE2  H N N 290 
MET HE3  H N N 291 
MET HXT  H N N 292 
PHE N    N N N 293 
PHE CA   C N S 294 
PHE C    C N N 295 
PHE O    O N N 296 
PHE CB   C N N 297 
PHE CG   C Y N 298 
PHE CD1  C Y N 299 
PHE CD2  C Y N 300 
PHE CE1  C Y N 301 
PHE CE2  C Y N 302 
PHE CZ   C Y N 303 
PHE OXT  O N N 304 
PHE H    H N N 305 
PHE H2   H N N 306 
PHE HA   H N N 307 
PHE HB2  H N N 308 
PHE HB3  H N N 309 
PHE HD1  H N N 310 
PHE HD2  H N N 311 
PHE HE1  H N N 312 
PHE HE2  H N N 313 
PHE HZ   H N N 314 
PHE HXT  H N N 315 
PRO N    N N N 316 
PRO CA   C N S 317 
PRO C    C N N 318 
PRO O    O N N 319 
PRO CB   C N N 320 
PRO CG   C N N 321 
PRO CD   C N N 322 
PRO OXT  O N N 323 
PRO H    H N N 324 
PRO HA   H N N 325 
PRO HB2  H N N 326 
PRO HB3  H N N 327 
PRO HG2  H N N 328 
PRO HG3  H N N 329 
PRO HD2  H N N 330 
PRO HD3  H N N 331 
PRO HXT  H N N 332 
SER N    N N N 333 
SER CA   C N S 334 
SER C    C N N 335 
SER O    O N N 336 
SER CB   C N N 337 
SER OG   O N N 338 
SER OXT  O N N 339 
SER H    H N N 340 
SER H2   H N N 341 
SER HA   H N N 342 
SER HB2  H N N 343 
SER HB3  H N N 344 
SER HG   H N N 345 
SER HXT  H N N 346 
SO4 S    S N N 347 
SO4 O1   O N N 348 
SO4 O2   O N N 349 
SO4 O3   O N N 350 
SO4 O4   O N N 351 
THR N    N N N 352 
THR CA   C N S 353 
THR C    C N N 354 
THR O    O N N 355 
THR CB   C N R 356 
THR OG1  O N N 357 
THR CG2  C N N 358 
THR OXT  O N N 359 
THR H    H N N 360 
THR H2   H N N 361 
THR HA   H N N 362 
THR HB   H N N 363 
THR HG1  H N N 364 
THR HG21 H N N 365 
THR HG22 H N N 366 
THR HG23 H N N 367 
THR HXT  H N N 368 
TRP N    N N N 369 
TRP CA   C N S 370 
TRP C    C N N 371 
TRP O    O N N 372 
TRP CB   C N N 373 
TRP CG   C Y N 374 
TRP CD1  C Y N 375 
TRP CD2  C Y N 376 
TRP NE1  N Y N 377 
TRP CE2  C Y N 378 
TRP CE3  C Y N 379 
TRP CZ2  C Y N 380 
TRP CZ3  C Y N 381 
TRP CH2  C Y N 382 
TRP OXT  O N N 383 
TRP H    H N N 384 
TRP H2   H N N 385 
TRP HA   H N N 386 
TRP HB2  H N N 387 
TRP HB3  H N N 388 
TRP HD1  H N N 389 
TRP HE1  H N N 390 
TRP HE3  H N N 391 
TRP HZ2  H N N 392 
TRP HZ3  H N N 393 
TRP HH2  H N N 394 
TRP HXT  H N N 395 
TYR N    N N N 396 
TYR CA   C N S 397 
TYR C    C N N 398 
TYR O    O N N 399 
TYR CB   C N N 400 
TYR CG   C Y N 401 
TYR CD1  C Y N 402 
TYR CD2  C Y N 403 
TYR CE1  C Y N 404 
TYR CE2  C Y N 405 
TYR CZ   C Y N 406 
TYR OH   O N N 407 
TYR OXT  O N N 408 
TYR H    H N N 409 
TYR H2   H N N 410 
TYR HA   H N N 411 
TYR HB2  H N N 412 
TYR HB3  H N N 413 
TYR HD1  H N N 414 
TYR HD2  H N N 415 
TYR HE1  H N N 416 
TYR HE2  H N N 417 
TYR HH   H N N 418 
TYR HXT  H N N 419 
UVS N1   N Y N 420 
UVS N    N Y N 421 
UVS C    C N N 422 
UVS O    O N N 423 
UVS C1   C N N 424 
UVS C2   C Y N 425 
UVS C3   C Y N 426 
UVS N2   N N N 427 
UVS S    S Y N 428 
UVS H1   H N N 429 
UVS H2   H N N 430 
UVS H3   H N N 431 
UVS H4   H N N 432 
UVS H5   H N N 433 
UVS H6   H N N 434 
UVS H7   H N N 435 
VAL N    N N N 436 
VAL CA   C N S 437 
VAL C    C N N 438 
VAL O    O N N 439 
VAL CB   C N N 440 
VAL CG1  C N N 441 
VAL CG2  C N N 442 
VAL OXT  O N N 443 
VAL H    H N N 444 
VAL H2   H N N 445 
VAL HA   H N N 446 
VAL HB   H N N 447 
VAL HG11 H N N 448 
VAL HG12 H N N 449 
VAL HG13 H N N 450 
VAL HG21 H N N 451 
VAL HG22 H N N 452 
VAL HG23 H N N 453 
VAL HXT  H N N 454 
# 
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  
EPE N1  C2   sing N N 92  
EPE N1  C6   sing N N 93  
EPE N1  C9   sing N N 94  
EPE C2  C3   sing N N 95  
EPE C2  H21  sing N N 96  
EPE C2  H22  sing N N 97  
EPE C3  N4   sing N N 98  
EPE C3  H31  sing N N 99  
EPE C3  H32  sing N N 100 
EPE N4  C5   sing N N 101 
EPE N4  C7   sing N N 102 
EPE C5  C6   sing N N 103 
EPE C5  H51  sing N N 104 
EPE C5  H52  sing N N 105 
EPE C6  H61  sing N N 106 
EPE C6  H62  sing N N 107 
EPE C7  C8   sing N N 108 
EPE C7  H71  sing N N 109 
EPE C7  H72  sing N N 110 
EPE C8  O8   sing N N 111 
EPE C8  H81  sing N N 112 
EPE C8  H82  sing N N 113 
EPE O8  HO8  sing N N 114 
EPE C9  C10  sing N N 115 
EPE C9  H91  sing N N 116 
EPE C9  H92  sing N N 117 
EPE C10 S    sing N N 118 
EPE C10 H101 sing N N 119 
EPE C10 H102 sing N N 120 
EPE S   O1S  doub N N 121 
EPE S   O2S  doub N N 122 
EPE S   O3S  sing N N 123 
EPE O3S HOS3 sing N N 124 
GLN N   CA   sing N N 125 
GLN N   H    sing N N 126 
GLN N   H2   sing N N 127 
GLN CA  C    sing N N 128 
GLN CA  CB   sing N N 129 
GLN CA  HA   sing N N 130 
GLN C   O    doub N N 131 
GLN C   OXT  sing N N 132 
GLN CB  CG   sing N N 133 
GLN CB  HB2  sing N N 134 
GLN CB  HB3  sing N N 135 
GLN CG  CD   sing N N 136 
GLN CG  HG2  sing N N 137 
GLN CG  HG3  sing N N 138 
GLN CD  OE1  doub N N 139 
GLN CD  NE2  sing N N 140 
GLN NE2 HE21 sing N N 141 
GLN NE2 HE22 sing N N 142 
GLN OXT HXT  sing N N 143 
GLU N   CA   sing N N 144 
GLU N   H    sing N N 145 
GLU N   H2   sing N N 146 
GLU CA  C    sing N N 147 
GLU CA  CB   sing N N 148 
GLU CA  HA   sing N N 149 
GLU C   O    doub N N 150 
GLU C   OXT  sing N N 151 
GLU CB  CG   sing N N 152 
GLU CB  HB2  sing N N 153 
GLU CB  HB3  sing N N 154 
GLU CG  CD   sing N N 155 
GLU CG  HG2  sing N N 156 
GLU CG  HG3  sing N N 157 
GLU CD  OE1  doub N N 158 
GLU CD  OE2  sing N N 159 
GLU OE2 HE2  sing N N 160 
GLU OXT HXT  sing N N 161 
GLY N   CA   sing N N 162 
GLY N   H    sing N N 163 
GLY N   H2   sing N N 164 
GLY CA  C    sing N N 165 
GLY CA  HA2  sing N N 166 
GLY CA  HA3  sing N N 167 
GLY C   O    doub N N 168 
GLY C   OXT  sing N N 169 
GLY OXT HXT  sing N N 170 
HIS N   CA   sing N N 171 
HIS N   H    sing N N 172 
HIS N   H2   sing N N 173 
HIS CA  C    sing N N 174 
HIS CA  CB   sing N N 175 
HIS CA  HA   sing N N 176 
HIS C   O    doub N N 177 
HIS C   OXT  sing N N 178 
HIS CB  CG   sing N N 179 
HIS CB  HB2  sing N N 180 
HIS CB  HB3  sing N N 181 
HIS CG  ND1  sing Y N 182 
HIS CG  CD2  doub Y N 183 
HIS ND1 CE1  doub Y N 184 
HIS ND1 HD1  sing N N 185 
HIS CD2 NE2  sing Y N 186 
HIS CD2 HD2  sing N N 187 
HIS CE1 NE2  sing Y N 188 
HIS CE1 HE1  sing N N 189 
HIS NE2 HE2  sing N N 190 
HIS OXT HXT  sing N N 191 
HOH O   H1   sing N N 192 
HOH O   H2   sing N N 193 
ILE N   CA   sing N N 194 
ILE N   H    sing N N 195 
ILE N   H2   sing N N 196 
ILE CA  C    sing N N 197 
ILE CA  CB   sing N N 198 
ILE CA  HA   sing N N 199 
ILE C   O    doub N N 200 
ILE C   OXT  sing N N 201 
ILE CB  CG1  sing N N 202 
ILE CB  CG2  sing N N 203 
ILE CB  HB   sing N N 204 
ILE CG1 CD1  sing N N 205 
ILE CG1 HG12 sing N N 206 
ILE CG1 HG13 sing N N 207 
ILE CG2 HG21 sing N N 208 
ILE CG2 HG22 sing N N 209 
ILE CG2 HG23 sing N N 210 
ILE CD1 HD11 sing N N 211 
ILE CD1 HD12 sing N N 212 
ILE CD1 HD13 sing N N 213 
ILE OXT HXT  sing N N 214 
LEU N   CA   sing N N 215 
LEU N   H    sing N N 216 
LEU N   H2   sing N N 217 
LEU CA  C    sing N N 218 
LEU CA  CB   sing N N 219 
LEU CA  HA   sing N N 220 
LEU C   O    doub N N 221 
LEU C   OXT  sing N N 222 
LEU CB  CG   sing N N 223 
LEU CB  HB2  sing N N 224 
LEU CB  HB3  sing N N 225 
LEU CG  CD1  sing N N 226 
LEU CG  CD2  sing N N 227 
LEU CG  HG   sing N N 228 
LEU CD1 HD11 sing N N 229 
LEU CD1 HD12 sing N N 230 
LEU CD1 HD13 sing N N 231 
LEU CD2 HD21 sing N N 232 
LEU CD2 HD22 sing N N 233 
LEU CD2 HD23 sing N N 234 
LEU OXT HXT  sing N N 235 
LYS N   CA   sing N N 236 
LYS N   H    sing N N 237 
LYS N   H2   sing N N 238 
LYS CA  C    sing N N 239 
LYS CA  CB   sing N N 240 
LYS CA  HA   sing N N 241 
LYS C   O    doub N N 242 
LYS C   OXT  sing N N 243 
LYS CB  CG   sing N N 244 
LYS CB  HB2  sing N N 245 
LYS CB  HB3  sing N N 246 
LYS CG  CD   sing N N 247 
LYS CG  HG2  sing N N 248 
LYS CG  HG3  sing N N 249 
LYS CD  CE   sing N N 250 
LYS CD  HD2  sing N N 251 
LYS CD  HD3  sing N N 252 
LYS CE  NZ   sing N N 253 
LYS CE  HE2  sing N N 254 
LYS CE  HE3  sing N N 255 
LYS NZ  HZ1  sing N N 256 
LYS NZ  HZ2  sing N N 257 
LYS NZ  HZ3  sing N N 258 
LYS OXT HXT  sing N N 259 
MET N   CA   sing N N 260 
MET N   H    sing N N 261 
MET N   H2   sing N N 262 
MET CA  C    sing N N 263 
MET CA  CB   sing N N 264 
MET CA  HA   sing N N 265 
MET C   O    doub N N 266 
MET C   OXT  sing N N 267 
MET CB  CG   sing N N 268 
MET CB  HB2  sing N N 269 
MET CB  HB3  sing N N 270 
MET CG  SD   sing N N 271 
MET CG  HG2  sing N N 272 
MET CG  HG3  sing N N 273 
MET SD  CE   sing N N 274 
MET CE  HE1  sing N N 275 
MET CE  HE2  sing N N 276 
MET CE  HE3  sing N N 277 
MET OXT HXT  sing N N 278 
PHE N   CA   sing N N 279 
PHE N   H    sing N N 280 
PHE N   H2   sing N N 281 
PHE CA  C    sing N N 282 
PHE CA  CB   sing N N 283 
PHE CA  HA   sing N N 284 
PHE C   O    doub N N 285 
PHE C   OXT  sing N N 286 
PHE CB  CG   sing N N 287 
PHE CB  HB2  sing N N 288 
PHE CB  HB3  sing N N 289 
PHE CG  CD1  doub Y N 290 
PHE CG  CD2  sing Y N 291 
PHE CD1 CE1  sing Y N 292 
PHE CD1 HD1  sing N N 293 
PHE CD2 CE2  doub Y N 294 
PHE CD2 HD2  sing N N 295 
PHE CE1 CZ   doub Y N 296 
PHE CE1 HE1  sing N N 297 
PHE CE2 CZ   sing Y N 298 
PHE CE2 HE2  sing N N 299 
PHE CZ  HZ   sing N N 300 
PHE OXT HXT  sing N N 301 
PRO N   CA   sing N N 302 
PRO N   CD   sing N N 303 
PRO N   H    sing N N 304 
PRO CA  C    sing N N 305 
PRO CA  CB   sing N N 306 
PRO CA  HA   sing N N 307 
PRO C   O    doub N N 308 
PRO C   OXT  sing N N 309 
PRO CB  CG   sing N N 310 
PRO CB  HB2  sing N N 311 
PRO CB  HB3  sing N N 312 
PRO CG  CD   sing N N 313 
PRO CG  HG2  sing N N 314 
PRO CG  HG3  sing N N 315 
PRO CD  HD2  sing N N 316 
PRO CD  HD3  sing N N 317 
PRO OXT HXT  sing N N 318 
SER N   CA   sing N N 319 
SER N   H    sing N N 320 
SER N   H2   sing N N 321 
SER CA  C    sing N N 322 
SER CA  CB   sing N N 323 
SER CA  HA   sing N N 324 
SER C   O    doub N N 325 
SER C   OXT  sing N N 326 
SER CB  OG   sing N N 327 
SER CB  HB2  sing N N 328 
SER CB  HB3  sing N N 329 
SER OG  HG   sing N N 330 
SER OXT HXT  sing N N 331 
SO4 S   O1   doub N N 332 
SO4 S   O2   doub N N 333 
SO4 S   O3   sing N N 334 
SO4 S   O4   sing N N 335 
THR N   CA   sing N N 336 
THR N   H    sing N N 337 
THR N   H2   sing N N 338 
THR CA  C    sing N N 339 
THR CA  CB   sing N N 340 
THR CA  HA   sing N N 341 
THR C   O    doub N N 342 
THR C   OXT  sing N N 343 
THR CB  OG1  sing N N 344 
THR CB  CG2  sing N N 345 
THR CB  HB   sing N N 346 
THR OG1 HG1  sing N N 347 
THR CG2 HG21 sing N N 348 
THR CG2 HG22 sing N N 349 
THR CG2 HG23 sing N N 350 
THR OXT HXT  sing N N 351 
TRP N   CA   sing N N 352 
TRP N   H    sing N N 353 
TRP N   H2   sing N N 354 
TRP CA  C    sing N N 355 
TRP CA  CB   sing N N 356 
TRP CA  HA   sing N N 357 
TRP C   O    doub N N 358 
TRP C   OXT  sing N N 359 
TRP CB  CG   sing N N 360 
TRP CB  HB2  sing N N 361 
TRP CB  HB3  sing N N 362 
TRP CG  CD1  doub Y N 363 
TRP CG  CD2  sing Y N 364 
TRP CD1 NE1  sing Y N 365 
TRP CD1 HD1  sing N N 366 
TRP CD2 CE2  doub Y N 367 
TRP CD2 CE3  sing Y N 368 
TRP NE1 CE2  sing Y N 369 
TRP NE1 HE1  sing N N 370 
TRP CE2 CZ2  sing Y N 371 
TRP CE3 CZ3  doub Y N 372 
TRP CE3 HE3  sing N N 373 
TRP CZ2 CH2  doub Y N 374 
TRP CZ2 HZ2  sing N N 375 
TRP CZ3 CH2  sing Y N 376 
TRP CZ3 HZ3  sing N N 377 
TRP CH2 HH2  sing N N 378 
TRP OXT HXT  sing N N 379 
TYR N   CA   sing N N 380 
TYR N   H    sing N N 381 
TYR N   H2   sing N N 382 
TYR CA  C    sing N N 383 
TYR CA  CB   sing N N 384 
TYR CA  HA   sing N N 385 
TYR C   O    doub N N 386 
TYR C   OXT  sing N N 387 
TYR CB  CG   sing N N 388 
TYR CB  HB2  sing N N 389 
TYR CB  HB3  sing N N 390 
TYR CG  CD1  doub Y N 391 
TYR CG  CD2  sing Y N 392 
TYR CD1 CE1  sing Y N 393 
TYR CD1 HD1  sing N N 394 
TYR CD2 CE2  doub Y N 395 
TYR CD2 HD2  sing N N 396 
TYR CE1 CZ   doub Y N 397 
TYR CE1 HE1  sing N N 398 
TYR CE2 CZ   sing Y N 399 
TYR CE2 HE2  sing N N 400 
TYR CZ  OH   sing N N 401 
TYR OH  HH   sing N N 402 
TYR OXT HXT  sing N N 403 
UVS C   O    sing N N 404 
UVS N1  N    sing Y N 405 
UVS N1  C3   doub Y N 406 
UVS N   C2   doub Y N 407 
UVS O   C1   sing N N 408 
UVS C3  N2   sing N N 409 
UVS C3  S    sing Y N 410 
UVS C2  C1   sing N N 411 
UVS C2  S    sing Y N 412 
UVS C   H1   sing N N 413 
UVS C   H2   sing N N 414 
UVS C   H3   sing N N 415 
UVS C1  H4   sing N N 416 
UVS C1  H5   sing N N 417 
UVS N2  H6   sing N N 418 
UVS N2  H7   sing N N 419 
VAL N   CA   sing N N 420 
VAL N   H    sing N N 421 
VAL N   H2   sing N N 422 
VAL CA  C    sing N N 423 
VAL CA  CB   sing N N 424 
VAL CA  HA   sing N N 425 
VAL C   O    doub N N 426 
VAL C   OXT  sing N N 427 
VAL CB  CG1  sing N N 428 
VAL CB  CG2  sing N N 429 
VAL CB  HB   sing N N 430 
VAL CG1 HG11 sing N N 431 
VAL CG1 HG12 sing N N 432 
VAL CG1 HG13 sing N N 433 
VAL CG2 HG21 sing N N 434 
VAL CG2 HG22 sing N N 435 
VAL CG2 HG23 sing N N 436 
VAL OXT HXT  sing N N 437 
# 
_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                    7HMN 
_atom_sites.fract_transf_matrix[1][1]   0.010483 
_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]   0.010483 
_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]   0.021882 
_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 
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   ? -13.141 -13.262 -9.854  1.00 86.17 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.747 -13.725 -11.224 1.00 80.00 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.658 -12.804 -11.791 1.00 79.76 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.581 -11.633 -11.352 1.00 88.74 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.978 -13.811 -12.145 1.00 72.70 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.502 -12.497 -12.634 1.00 66.34 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -14.022 -11.891 -13.779 1.00 65.59 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.486 -11.692 -12.172 1.00 63.76 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.661 -10.757 -13.982 1.00 65.36 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.572 -10.613 -13.019 1.00 60.25 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.871 -13.313 -12.744 1.00 73.30 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.799  -12.574 -13.470 1.00 71.67 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.028 -12.676 -14.991 1.00 61.53 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.037  -12.914 -15.720 1.00 61.11 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.422  -13.076 -12.987 1.00 77.46 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.186  -12.849 -11.525 1.00 85.42 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.022  -11.580 -10.981 1.00 85.36 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.094  -13.712 -10.488 1.00 88.63 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.838  -11.675 -9.680  1.00 86.53 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -7.873  -12.974 -9.352  1.00 89.08 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.279 -12.459 -15.449 1.00 49.45 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.754 -12.625 -16.858 1.00 39.66 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.750 -11.285 -17.603 1.00 37.50 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.823 -11.304 -18.855 1.00 33.85 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.165 -13.241 -16.887 1.00 37.28 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.231 -14.615 -16.313 1.00 38.25 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.310 -15.619 -16.648 1.00 35.61 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.105 -15.181 -15.455 1.00 34.86 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.617 -16.728 -16.002 1.00 42.63 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.721 -16.488 -15.267 1.00 40.81 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.668 -10.165 -16.870 1.00 39.49 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.760 -8.774  -17.404 1.00 45.92 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.851 -8.587  -18.633 1.00 43.24 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.280 -7.878  -19.578 1.00 41.95 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.433 -7.718  -16.324 1.00 56.67 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.205 -7.847  -15.049 1.00 70.54 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.640 -8.369  -13.888 1.00 86.44 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.476 -7.511  -14.729 1.00 78.45 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.536 -8.358  -12.916 1.00 85.98 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.673 -7.838  -13.408 1.00 84.50 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.655  -9.201  -18.647 1.00 42.52 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.632  -9.053  -19.724 1.00 40.26 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.031  -9.764  -21.030 1.00 36.83 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.311  -9.561  -22.018 1.00 37.24 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.256  -9.519  -19.229 1.00 48.64 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.097  -10.996 -19.107 1.00 50.51 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.378  -11.739 -20.029 1.00 58.32 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.521  -11.865 -18.164 1.00 54.48 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.388  -13.012 -19.672 1.00 52.88 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.077  -13.117 -18.531 1.00 57.51 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.106 -10.573 -21.064 1.00 28.51 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.695 -11.125 -22.326 1.00 25.61 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.796 -10.206 -22.825 1.00 22.93 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.659 -10.679 -23.590 1.00 18.56 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.234 -12.534 -22.107 1.00 24.33 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.155 -13.478 -21.689 1.00 26.24 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.115  -13.792 -22.551 1.00 25.44 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -9.955  -14.170 -20.546 1.00 28.32 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.306  -14.649 -21.947 1.00 26.50 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.779  -14.897 -20.713 1.00 27.98 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.837 -8.977  -22.328 1.00 22.87 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.885 -7.983  -22.670 1.00 26.55 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -12.994 -7.816  -24.194 1.00 24.96 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -11.969 -7.732  -24.924 1.00 27.50 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.573 -6.643  -21.994 1.00 32.72 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.586 -5.526  -22.232 1.00 40.83 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.213 -5.738  -21.397 1.00 50.52 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.859 -5.123  -19.755 1.00 37.31 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.222 -7.772  -24.705 1.00 20.36 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.520 -7.557  -26.144 1.00 21.72 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.517 -6.382  -26.226 1.00 21.78 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.352 -6.202  -25.286 1.00 22.53 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.027 -8.826  -26.852 1.00 24.00 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -13.932 -9.885  -26.923 1.00 27.06 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.256 -9.410  -26.196 1.00 25.12 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.478 -5.646  -27.334 1.00 22.41 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.349 -4.472  -27.560 1.00 21.62 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.579 -4.977  -28.319 1.00 20.74 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.464 -5.370  -29.499 1.00 23.74 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.604 -3.374  -28.325 1.00 24.07 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.376 -2.108  -28.541 1.00 28.81 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.500 -1.142  -27.559 1.00 33.35 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.062 -1.647  -29.621 1.00 32.44 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.225 -0.130  -28.018 1.00 30.83 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.602 -0.419  -29.290 1.00 35.37 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.697 -5.103  -27.612 1.00 17.18 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.935 -5.619  -28.227 1.00 17.69 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.758 -4.423  -28.723 1.00 17.91 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.751 -3.403  -28.070 1.00 17.88 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.730 -6.438  -27.187 1.00 17.58 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.927 -7.648  -26.688 1.00 18.21 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.078 -6.822  -27.777 1.00 16.74 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.396 -8.568  -27.773 1.00 18.06 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.346 -4.582  -29.891 1.00 16.36 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.330 -3.596  -30.436 1.00 17.08 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.591 -4.356  -30.811 1.00 18.13 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.528 -5.572  -31.083 1.00 18.33 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.756 -2.806  -31.608 1.00 19.95 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.423 -3.704  -32.644 1.00 21.58 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.573 -1.954  -31.197 1.00 22.40 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.723 -3.662  -30.777 1.00 16.59 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.014 -4.297  -31.091 1.00 16.62 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.284 -4.291  -32.594 1.00 16.89 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -25.991 -3.270  -33.255 1.00 17.99 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.097 -3.569  -30.319 1.00 16.80 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.918 -3.637  -28.804 1.00 17.13 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.856 -2.702  -28.061 1.00 19.21 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.019 -5.078  -28.284 1.00 18.77 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.904 -5.330  -33.070 1.00 16.30 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.294 -5.516  -34.495 1.00 15.73 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.778 -5.120  -34.662 1.00 17.38 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.670 -5.930  -34.380 1.00 16.43 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.011 -6.939  -34.980 1.00 16.71 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.321 -7.208  -36.450 1.00 22.48 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -27.995 -6.347  -37.067 1.00 20.87 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -26.982 -8.318  -36.947 1.00 22.21 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -28.997 -3.886  -35.142 0.25 18.13 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.015 -3.895  -35.143 0.25 18.94 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.324 -3.271  -35.429 0.25 19.38 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.369 -3.310  -35.349 0.25 20.61 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.227 -4.226  -36.207 0.25 18.31 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.243 -4.226  -36.211 0.25 19.09 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.440 -4.228  -35.953 0.25 17.71 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.463 -4.222  -36.002 0.25 18.34 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.151 -2.016  -36.298 0.25 20.13 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.258 -1.937  -36.027 0.25 23.10 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.254 -0.953  -35.686 0.25 22.21 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.854 -0.808  -35.090 0.25 25.94 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.237 0.342   -36.490 0.25 22.36 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.409 -0.374  -35.276 0.25 29.48 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.738 1.393   -35.629 0.25 22.00 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.193 0.590   -36.358 0.25 31.81 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.472 1.990   -34.715 0.25 21.74 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.751 0.298   -37.582 0.25 34.34 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.744 1.663   -34.605 0.25 22.69 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.474 -0.945  -37.933 0.25 36.60 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.945 2.913   -33.940 0.25 22.89 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.597 1.263   -38.467 0.25 36.04 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.663 -4.967  -37.161 1.00 18.61 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.453 -5.816  -38.079 1.00 19.37 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.126 -6.991  -37.371 1.00 17.85 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.159 -7.469  -37.850 1.00 18.13 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.583 -6.269  -39.249 1.00 23.66 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.391 -5.154  -40.247 1.00 30.12 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.176 -4.204  -40.292 1.00 36.26 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.335 -5.257  -41.029 1.00 40.22 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.601 -7.393  -36.202 1.00 16.15 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.143 -8.514  -35.423 1.00 16.02 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.181 -8.032  -34.403 1.00 14.88 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.862 -8.859  -33.793 1.00 15.19 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.041 -9.288  -34.680 1.00 15.55 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.470 -8.471  -33.644 1.00 14.81 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.030 -9.859  -35.657 1.00 17.09 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.253 -6.721  -34.147 1.00 14.71 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.089 -6.192  -33.043 1.00 14.39 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.574 -6.369  -33.335 1.00 15.71 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.037 -6.078  -34.456 1.00 15.56 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.788 -4.733  -32.879 1.00 15.09 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.333 -6.692  -32.318 1.00 14.92 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.792 -6.486  -32.325 1.00 13.91 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.063 -5.046  -32.773 1.00 13.37 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.345 -4.090  -32.420 1.00 13.94 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.305 -6.820  -30.943 1.00 13.90 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.776 -6.574  -30.833 1.00 17.81 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.200 -5.454  -30.624 1.00 16.39 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.533 -7.618  -30.974 1.00 21.39 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.137 -4.887  -33.512 1.00 13.94 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.472 -3.625  -34.202 1.00 14.88 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.868 -2.538  -33.209 1.00 14.64 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -39.974 -1.383  -33.662 1.00 15.94 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.577 -3.886  -35.195 1.00 17.01 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.738 -4.278  -34.478 1.00 19.41 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.054 -2.808  -31.916 1.00 13.54 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.350 -1.764  -30.909 1.00 14.23 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.102 -1.296  -30.182 1.00 14.76 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.208 -0.362  -29.377 1.00 14.89 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.351 -2.270  -29.922 1.00 14.71 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.750 -2.396  -30.454 1.00 16.38 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.148 -2.911  -31.659 1.00 16.87 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.932 -1.972  -29.766 1.00 18.49 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.520 -2.834  -31.764 1.00 20.05 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.014 -2.303  -30.610 1.00 17.86 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.178 -1.364  -28.526 1.00 19.85 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.339 -2.017  -30.240 1.00 21.12 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.489 -1.102  -28.158 1.00 22.33 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.540 -1.482  -28.986 1.00 21.95 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.943 -1.891  -30.484 1.00 14.19 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.725 -1.474  -29.756 1.00 13.99 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.151 -0.198  -30.385 1.00 15.38 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.106 -0.051  -31.618 1.00 14.88 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.704 -2.616  -29.761 1.00 12.93 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.133 -3.867  -29.014 1.00 14.74 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.011 -4.889  -28.996 1.00 14.98 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.561 -3.575  -27.622 1.00 15.28 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.484 0.536   -29.528 1.00 14.26 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.702 1.748   -29.885 1.00 14.82 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.258 1.523   -29.450 1.00 15.87 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -32.987 1.434   -28.229 1.00 15.81 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.268 3.013   -29.262 1.00 16.30 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.760 3.250   -29.617 1.00 16.38 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.401 4.220   -29.660 1.00 17.46 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.405 4.346   -28.854 1.00 18.28 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.388 1.468   -30.444 1.00 17.21 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.933 1.255   -30.244 1.00 19.11 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.245 2.592   -30.424 1.00 21.47 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.527 3.329   -31.430 1.00 20.77 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.400 0.177   -31.173 1.00 18.93 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -30.937 -1.194  -30.784 1.00 21.36 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.874 0.160   -31.163 1.00 18.58 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.745 -2.178  -31.787 1.00 24.54 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.342 2.927   -29.516 1.00 19.13 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.644 4.225   -29.555 1.00 17.38 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.749 4.301   -30.807 1.00 17.87 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.390 3.289   -31.391 1.00 18.61 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.884 4.411   -28.289 1.00 19.69 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.928 3.371   -28.183 1.00 20.20 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.377 5.534   -31.180 1.00 21.82 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.470 5.786   -32.323 1.00 22.73 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.180 4.960   -32.208 1.00 19.58 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.724 4.469   -33.243 1.00 23.39 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.135 7.284   -32.345 1.00 25.27 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.182 7.679   -33.448 1.00 30.91 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.334 9.138   -33.774 1.00 31.68 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -24.992 10.015  -32.597 1.00 36.76 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.455 11.383  -32.866 1.00 41.91 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.606 4.881   -31.003 1.00 21.44 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.326 4.146   -30.792 1.00 20.53 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.548 2.625   -30.756 1.00 19.70 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.548 1.892   -30.658 1.00 19.92 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.579 4.645   -29.552 1.00 21.48 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.259 4.402   -28.219 1.00 22.15 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.365 3.752   -28.192 1.00 22.81 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.654 4.824   -27.206 1.00 26.77 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.789 2.161   -30.839 1.00 17.87 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.123 0.716   -30.877 1.00 17.54 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.705 0.054   -29.545 1.00 14.65 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.514 -1.180  -29.529 1.00 15.96 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.558 0.057   -32.142 1.00 21.36 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.241 0.584   -33.404 1.00 25.51 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -24.753 0.041   -34.711 1.00 32.96 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.314 -0.072  -34.849 1.00 43.50 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.609 -1.211  -34.757 1.00 57.21 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.199 -2.388  -34.518 1.00 54.92 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.294 -1.163  -34.922 1.00 61.19 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.654 0.793   -28.457 1.00 14.27 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.273 0.258   -27.118 1.00 16.15 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.427 0.266   -26.124 1.00 16.27 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.246 -0.283  -25.016 1.00 16.49 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.083 1.021   -26.529 1.00 16.93 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.876 0.937   -27.451 1.00 19.53 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.024 -0.268  -27.207 1.00 21.59 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.254 -0.062  -25.975 1.00 24.03 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.511 -1.010  -25.404 1.00 23.71 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.444 -2.194  -25.971 1.00 24.36 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.862 -0.758  -24.286 1.00 23.16 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.591 0.858   -26.438 1.00 14.43 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.754 0.896   -25.532 1.00 14.84 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.018 0.511   -26.286 1.00 14.67 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.124 0.767   -27.514 1.00 15.60 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.970 2.292   -24.939 1.00 17.02 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.726 2.905   -24.359 1.00 21.37 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.098 4.142   -23.575 1.00 24.59 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.244 4.351   -23.164 1.00 27.36 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.098 4.956   -23.338 1.00 30.34 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.929 -0.143  -25.586 1.00 13.61 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.236 -0.505  -26.194 1.00 14.02 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.312 -0.330  -25.137 1.00 14.25 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.125 -0.705  -23.998 1.00 13.19 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.197 -1.910  -26.798 1.00 13.00 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.775 -2.994  -25.789 1.00 13.03 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.516 -2.298  -27.459 1.00 14.40 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.468 0.158   -25.554 1.00 14.28 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.642 0.234   -24.662 1.00 15.04 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.893 -0.057  -25.484 1.00 14.54 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.880 0.034   -26.718 1.00 13.55 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.769 1.594   -23.976 1.00 15.82 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.045 2.742   -24.942 1.00 19.19 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.975 4.070   -24.200 1.00 20.77 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.231 5.182   -25.096 1.00 26.25 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.420 5.681   -25.407 1.00 24.30 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.535 5.164   -24.944 1.00 26.69 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.471 6.725   -26.241 1.00 28.24 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -36.958 -0.365  -24.755 0.38 15.19 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -36.976 -0.441  -24.818 0.30 15.61 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.321 -0.609  -25.289 0.38 17.34 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.248 -0.735  -25.533 0.30 17.19 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -38.942 0.745   -25.649 0.38 16.56 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.053 0.557   -25.640 0.30 16.89 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -38.941 1.639   -24.806 0.38 18.02 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.375 1.135   -24.567 0.30 16.03 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.145 -1.327  -24.219 0.38 18.50 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.103 -1.793  -24.837 0.30 18.90 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.559 -1.682  -24.663 0.38 20.95 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.446 -1.999  -25.565 0.30 21.72 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.529 -2.748  -26.153 0.38 23.16 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.203 -3.577  -25.142 0.30 23.08 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.072 -3.638  -25.973 0.38 22.85 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.327 -3.757  -26.527 0.30 23.07 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.375 0.907   -26.890 1.00 16.60 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.179 2.091   -27.262 1.00 18.11 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.641 1.887   -26.899 1.00 18.10 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.038 0.792   -26.480 1.00 18.96 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.396 3.001   -26.904 1.00 22.84 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -43.835 2.932   -26.514 1.00 26.58 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.663 2.562   -27.764 1.00 26.14 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -45.882 2.366   -27.608 1.00 27.13 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.288 4.189   -25.742 1.00 31.61 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.860 4.295   -24.261 1.00 42.09 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.694 3.246   -23.587 1.00 45.19 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -43.736 5.441   -23.745 1.00 42.17 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.037 2.265   -28.905 1.00 20.76 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.756 1.942   -30.181 1.00 20.65 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.811 1.249   -31.172 1.00 18.43 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.540 1.260   -30.976 1.00 15.83 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.328 3.257   -30.722 1.00 22.65 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.203 2.975   -31.797 1.00 23.92 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.236 4.176   -31.218 1.00 24.91 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.302 0.775   -32.312 1.00 18.61 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.475 0.334   -33.475 1.00 17.70 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.529 1.442   -33.915 1.00 19.18 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -42.995 2.614   -34.095 1.00 19.25 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.422 -0.148  -34.589 1.00 17.04 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.798 -0.796  -35.779 1.00 16.33 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -42.991 -0.150  -36.695 1.00 16.15 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -43.893 -2.081  -36.193 1.00 15.69 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.666 -1.007  -37.642 1.00 16.12 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.195 -2.220  -37.335 1.00 16.66 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.251 1.117   -34.138 1.00 16.89 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.205 2.116   -34.423 1.00 16.82 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.016 2.386   -35.931 1.00 18.57 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -38.990 2.980   -36.344 1.00 19.48 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -38.913 1.717   -33.712 1.00 16.74 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.082 1.787   -32.230 1.00 15.90 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.576 3.119   -31.729 1.00 16.57 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.512 3.239   -30.945 1.00 21.05 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -38.939 4.187   -32.172 1.00 15.87 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -40.987 2.034   -36.748 1.00 17.02 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.062 2.483   -38.173 1.00 16.04 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -39.969 1.858   -39.020 1.00 17.39 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.511 2.467   -40.001 1.00 20.57 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.171 4.016   -38.289 1.00 16.92 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.781 4.435   -39.617 1.00 17.33 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.660 3.758   -40.130 1.00 16.87 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.365 5.587   -40.159 1.00 16.15 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.642 0.595   -38.745 1.00 19.18 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.666 -0.200  -39.535 1.00 20.66 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.430 -1.249  -40.355 1.00 18.39 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.498 -1.672  -39.912 1.00 19.14 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.628 -0.884  -38.615 1.00 21.45 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.699 0.117   -37.958 1.00 25.05 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.277 -1.762  -37.554 1.00 23.54 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -38.864 -1.694  -41.476 1.00 20.74 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.408 -2.838  -42.235 1.00 21.20 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.185 -4.142  -41.474 1.00 20.81 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.243 -4.242  -40.693 1.00 19.31 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.804 -2.902  -43.619 1.00 24.69 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.401 -3.066  -43.507 1.00 27.75 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.063 -5.134  -41.674 0.52 20.67 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.930 -6.499  -41.089 0.52 20.37 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.921 -7.284  -41.938 0.52 20.93 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.801 -7.003  -43.143 0.52 19.69 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.283 -7.213  -40.925 0.52 20.86 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.338 -8.238  -39.787 0.52 20.97 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.304 -8.401  -39.087 0.52 18.43 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -42.412 -8.882  -39.592 0.52 20.53 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.201 -8.223  -41.313 1.00 20.59 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.193 -9.084  -41.973 1.00 20.88 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.175 -10.403 -41.193 1.00 20.72 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.780 -10.481 -40.092 1.00 22.16 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.850 -8.411  -42.152 1.00 20.81 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.117 -8.223  -40.837 1.00 21.35 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -34.959 -9.192  -40.093 1.00 24.20 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.747 -7.025  -40.514 1.00 20.04 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.531 -11.410 -41.749 1.00 22.24 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.579 -12.763 -41.171 1.00 24.21 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.688 -12.832 -39.909 1.00 21.00 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.886 -13.810 -39.137 1.00 22.13 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.094 -13.763 -42.236 1.00 28.90 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.613 -13.643 -42.547 1.00 35.14 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.173 -14.285 -43.847 1.00 45.91 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.669 -14.446 -43.911 1.00 49.35 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.317 -15.683 -44.644 1.00 57.76 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.776 -11.879 -39.717 1.00 19.85 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.853 -11.867 -38.538 1.00 20.27 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.595 -11.382 -37.277 1.00 18.97 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.156 -11.711 -36.135 1.00 19.90 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.638 -11.005 -38.824 1.00 23.96 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.722 -11.489 -39.950 1.00 28.76 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.565 -10.511 -40.124 1.00 36.25 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.589 -9.728  -41.111 1.00 46.21 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.668 -10.465 -39.254 1.00 40.67 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.606 -10.528 -37.400 1.00 16.95 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.141 -9.818  -36.208 1.00 16.50 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.852 -10.768 -35.253 1.00 15.85 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.719 -11.592 -35.645 1.00 17.68 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.133 -8.711  -36.575 1.00 16.07 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.587 -7.596  -37.419 1.00 17.19 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.499 -6.359  -37.354 1.00 16.86 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -36.969 -5.351  -38.239 1.00 17.63 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.878 -4.633  -38.018 1.00 16.77 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.272 -4.644  -36.830 1.00 15.67 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.417 -3.810  -38.956 1.00 20.76 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.568 -10.674 -33.950 1.00 15.31 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.373 -11.400 -32.956 1.00 14.26 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.807 -10.799 -32.974 1.00 16.12 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -38.940 -9.590  -32.671 1.00 16.83 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.774 -11.323 -31.556 1.00 14.41 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.526 -12.166 -31.412 1.00 13.40 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.624 -13.529 -31.181 1.00 14.12 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.264 -11.599 -31.500 1.00 14.89 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.499 -14.328 -31.070 1.00 14.44 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.135 -12.410 -31.360 1.00 15.05 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.263 -13.773 -31.170 1.00 13.38 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.822 -11.598 -33.229 1.00 17.11 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.210 -11.073 -33.410 1.00 19.44 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -41.960 -10.966 -32.089 1.00 18.45 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -42.728 -9.990  -31.947 1.00 21.55 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -41.980 -11.923 -34.389 1.00 19.61 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.075 -13.258 -33.978 1.00 18.31 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.824 -11.899 -31.172 1.00 16.90 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.746 -12.069 -30.019 1.00 17.50 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.259 -11.346 -28.762 1.00 16.64 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.039 -11.243 -27.779 1.00 18.80 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.067 -13.519 -29.716 1.00 18.16 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -43.998 -14.161 -30.742 1.00 21.67 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -43.830 -13.994 -31.945 1.00 23.48 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -44.953 -14.935 -30.239 1.00 26.87 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -40.949 -11.051 -28.680 1.00 14.76 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.341 -10.577 -27.413 1.00 14.04 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.387 -9.429  -27.749 1.00 13.65 ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -38.840 -9.341  -28.859 1.00 14.34 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.530 -11.719 -26.766 1.00 14.27 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.250 -13.041 -26.680 1.00 15.52 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.245 -13.226 -25.742 1.00 17.67 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -39.951 -14.101 -27.520 1.00 16.16 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.930 -14.441 -25.619 1.00 20.67 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.658 -15.298 -27.460 1.00 18.27 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.612 -15.486 -26.472 1.00 19.70 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.277 -16.688 -26.399 1.00 19.61 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.075 -8.569  -26.750 1.00 13.12 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.208 -7.398  -26.953 1.00 13.06 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.693 -7.723  -26.957 1.00 12.77 ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -35.943 -7.209  -26.151 1.00 13.78 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.617 -6.434  -25.801 1.00 14.93 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.840 -7.080  -25.177 1.00 14.96 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.719 -8.540  -25.448 1.00 13.59 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.334 -8.612  -27.893 1.00 13.20 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -34.972 -9.196  -27.997 1.00 11.84 ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.166 -8.603  -29.144 1.00 13.23 ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.681 -8.107  -30.162 1.00 12.66 ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.064 -10.708 -28.157 1.00 12.57 ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.696 -11.381 -26.984 1.00 11.95 ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.140 -13.112 -27.378 1.00 14.21 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.731 -13.755 -25.824 1.00 14.36 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.837 -8.654  -28.982 1.00 12.17 ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.852 -8.181  -29.994 1.00 12.59 ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.550 -8.953  -29.767 1.00 13.63 ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.300 -9.376  -28.609 1.00 12.74 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.667 -6.651  -29.951 1.00 13.46 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.139 -6.185  -28.610 1.00 13.15 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.791 -6.095  -31.071 1.00 13.66 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.811 -9.154  -30.827 1.00 12.86 ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.474 -9.807  -30.769 1.00 12.78 ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.348 -8.793  -30.908 1.00 13.72 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.495 -7.695  -31.562 1.00 14.11 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.324 -10.848 -31.878 1.00 13.28 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.387 -11.927 -31.908 1.00 13.98 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.084 -13.021 -32.916 1.00 15.50 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.580 -12.548 -30.545 1.00 14.17 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.193 -9.126  -30.363 1.00 13.40 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -24.945 -8.432  -30.722 1.00 13.64 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.561 -8.749  -32.154 1.00 13.71 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.876 -9.854  -32.619 1.00 15.13 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.761 -7.880  -32.735 1.00 15.45 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.263 -8.010  -34.124 1.00 18.43 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.170 -9.084  -34.158 1.00 19.18 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.007 -9.784  -35.200 1.00 21.61 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.780 -6.652  -34.534 1.00 19.65 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.445 -9.226  -33.057 1.00 17.80 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.239 -10.089 -33.050 1.00 17.29 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.677 -11.549 -33.057 1.00 18.21 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.699 -11.928 -32.417 1.00 18.26 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.367 -9.726  -31.830 1.00 19.24 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.679 -8.367  -31.885 1.00 20.88 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.636 -7.197  -31.744 1.00 20.99 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.598 -7.275  -30.990 1.00 19.11 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.426 -6.117  -32.460 1.00 23.80 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -19.927 -12.391 -33.776 1.00 18.97 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.086 -13.857 -33.781 1.00 18.89 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.809 -14.489 -33.219 1.00 17.29 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.689 -14.036 -33.589 1.00 20.35 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.257 -14.398 -35.213 1.00 23.53 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.636 -14.219 -35.850 1.00 32.58 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.077 -12.769 -35.821 1.00 35.36 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.013 -12.113 -36.742 1.00 39.38 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.717 -12.636 -37.747 1.00 40.40 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.506 -11.831 -38.440 1.00 43.50 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.649 -13.910 -38.081 1.00 38.69 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -18.948 -15.440 -32.322 1.00 16.70 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.790 -16.100 -31.653 1.00 16.60 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.832 -17.602 -31.945 1.00 16.08 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.856 -18.238 -31.708 1.00 15.35 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.839 -15.824 -30.126 1.00 17.90 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.847 -14.348 -29.775 1.00 19.49 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.821 -13.520 -30.232 1.00 23.31 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.843 -13.793 -29.018 1.00 28.02 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.793 -12.159 -29.941 1.00 25.83 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.795 -12.440 -28.692 1.00 22.79 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.809 -11.634 -29.194 1.00 23.93 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.729 -18.176 -32.448 0.25 16.22 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.730 -18.183 -32.439 0.25 16.67 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.627 -19.635 -32.733 0.25 16.33 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.620 -19.647 -32.692 0.25 17.05 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.405 -20.256 -32.026 0.25 16.41 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.320 -20.210 -32.115 0.25 17.68 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.244 -21.497 -32.086 0.25 14.93 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -14.884 -21.274 -32.583 0.25 16.23 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.643 -19.865 -34.233 0.25 16.96 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.666 -19.920 -34.151 0.25 17.61 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -17.987 -19.768 -34.740 0.25 17.58 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.603 -19.244 -34.775 0.25 17.50 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.625 -19.447 -31.302 0.25 15.79 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.720 -19.514 -31.154 0.25 18.07 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.431 -19.900 -30.550 0.25 16.81 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.449 -19.920 -30.523 0.25 19.77 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.127 -18.921 -29.418 0.25 17.50 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.043 -18.883 -29.484 0.25 19.27 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.764 -17.854 -29.384 0.25 16.35 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.484 -17.721 -29.619 0.25 17.53 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.250 -20.035 -31.482 0.25 16.82 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.376 -20.081 -31.566 0.25 21.55 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -11.793 -18.760 -31.885 0.25 15.43 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.144 -20.379 -30.935 0.25 24.01 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.192 -19.283 -28.538 1.00 19.46 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.576 -18.323 -27.607 1.00 20.70 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.416 -18.033 -26.378 1.00 17.09 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.444 -18.715 -26.121 1.00 17.42 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -11.926 -17.045 -25.660 1.00 17.21 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.523 -16.572 -24.420 1.00 16.94 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -12.936 -15.129 -24.661 1.00 17.38 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.114 -14.309 -25.105 1.00 18.66 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.532 -16.715 -23.275 1.00 18.34 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.103 -18.139 -22.940 1.00 18.47 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -9.984  -18.210 -21.845 1.00 22.96 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.575  -19.623 -21.504 1.00 26.82 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.565  -19.617 -20.418 1.00 30.15 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.149 -14.796 -24.237 1.00 15.47 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.762 -13.466 -24.439 1.00 15.51 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.440 -13.017 -23.149 1.00 14.76 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.001 -13.844 -22.452 1.00 16.00 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -15.876 -13.550 -25.466 1.00 16.30 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.426 -13.696 -26.911 1.00 17.20 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.663 -15.290 -27.416 1.00 20.10 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -15.922 -16.466 -26.959 1.00 20.01 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.420 -11.736 -22.864 1.00 14.85 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.014 -11.170 -21.632 1.00 15.12 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.622 -9.824  -21.978 1.00 15.28 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -15.976 -9.001  -22.712 1.00 16.16 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -14.963 -10.998 -20.540 1.00 16.64 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.473 -10.398 -19.257 1.00 16.09 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.182 -11.169 -18.354 1.00 16.38 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.316 -9.040  -18.988 1.00 17.29 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.677 -10.628 -17.175 1.00 17.85 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.804 -8.485  -17.821 1.00 16.50 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.517 -9.262  -16.936 1.00 16.63 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -16.977 -8.697  -15.779 1.00 18.34 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.832 -9.567  -21.515 1.00 12.56 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.413 -8.209  -21.613 1.00 13.34 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.294 -7.940  -20.380 1.00 13.87 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.625 -8.901  -19.649 1.00 14.46 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.148 -8.003  -22.947 1.00 13.17 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.326 -8.884  -23.204 1.00 13.43 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.657 -8.604  -22.977 1.00 14.15 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.309 -10.207 -23.752 1.00 13.79 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.437 -9.659  -23.395 1.00 13.48 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.632 -10.674 -23.827 1.00 13.79 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.281 -11.065 -24.157 1.00 16.85 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -21.966 -11.903 -24.378 1.00 14.76 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.602 -12.307 -24.650 1.00 18.27 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -20.926 -12.727 -24.740 1.00 16.68 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.723 -6.680  -20.198 1.00 13.43 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.541 -6.245  -19.029 1.00 13.54 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.758 -5.474  -19.494 1.00 13.53 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.658 -4.746  -20.478 1.00 14.26 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.712 -5.400  -18.063 1.00 15.36 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.647 -6.255  -17.382 1.00 17.63 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.744 -5.501  -16.427 1.00 22.44 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -17.929 -4.242  -16.333 1.00 26.54 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -16.916 -6.165  -15.704 1.00 20.65 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.877 -5.722  -18.833 1.00 13.54 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.144 -5.048  -19.153 1.00 12.86 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.714 -4.363  -17.915 1.00 12.88 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.799 -4.989  -16.856 1.00 13.71 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.158 -6.050  -19.720 1.00 12.93 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.409 -5.303  -20.136 1.00 14.79 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.559 -6.901  -20.828 1.00 14.29 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.162 -3.110  -18.069 1.00 12.76 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.833 -2.310  -17.014 1.00 14.93 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.321 -2.602  -17.055 1.00 13.05 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -27.920 -2.527  -18.180 1.00 14.64 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.529 -0.812  -17.164 1.00 16.04 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -25.920 -0.012  -15.920 1.00 18.71 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.066 -0.014  -15.559 1.00 19.13 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.012 0.472   -15.232 1.00 24.66 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.879 -3.043  -15.928 1.00 13.84 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.313 -3.391  -15.754 1.00 13.96 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -29.987 -2.482  -14.697 1.00 15.88 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.058 -2.807  -14.208 1.00 15.75 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.447 -4.896  -15.396 1.00 14.26 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -28.892 -5.793  -16.532 1.00 14.73 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.810 -5.287  -14.066 1.00 14.26 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.358 -1.363  -14.351 1.00 15.22 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -29.848 -0.436  -13.306 1.00 17.03 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.335 -0.107  -13.536 1.00 17.16 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.751 0.216   -14.670 1.00 16.59 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.037 0.854   -13.303 1.00 17.92 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.679 0.571   -12.953 1.00 20.67 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.650 1.813   -12.301 1.00 22.86 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.083 -0.234  -12.448 1.00 19.90 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.519 0.088   -12.226 1.00 22.35 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.454 -0.710  -13.128 1.00 22.28 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.648 -0.394  -13.158 1.00 25.03 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.737 1.595   -12.297 1.00 30.43 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.592 2.195   -13.685 1.00 37.36 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.607 3.276   -14.003 1.00 43.09 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -34.278 4.291   -14.624 1.00 41.68 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.870 3.017   -13.680 1.00 47.42 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.015 -1.776  -13.787 1.00 16.00 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -34.959 -2.627  -14.520 1.00 15.87 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.642 -3.667  -13.620 1.00 14.71 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.019 -4.194  -12.638 1.00 17.79 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.212 -3.320  -15.661 1.00 16.50 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.768 -2.340  -16.759 1.00 17.50 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.307 -2.956  -18.045 1.00 17.55 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.375 -3.693  -18.826 1.00 15.90 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.563 -2.834  -19.147 1.00 14.32 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -36.885 -3.970  -13.932 1.00 13.35 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.701 -4.967  -13.239 1.00 13.62 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.619 -6.341  -13.917 1.00 13.02 ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -37.985 -7.364  -13.323 1.00 13.99 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.189 -4.548  -13.223 1.00 14.98 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.448 -3.295  -12.439 1.00 16.89 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -40.921 -2.888  -12.544 1.00 17.54 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.329 -2.042  -11.722 1.00 20.15 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.638 -3.415  -13.429 1.00 19.44 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.270 -6.380  -15.202 1.00 12.93 ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.259 -7.635  -15.964 1.00 11.62 ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.278 -7.500  -17.125 1.00 13.45 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.253 -6.457  -17.799 1.00 13.12 ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.639 -7.961  -16.488 1.00 13.10 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.580 -8.582  -17.414 1.00 12.27 ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.586 -8.646  -18.529 1.00 11.61 ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.059 -10.073 -18.622 1.00 11.98 ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.166 -10.825 -17.648 1.00 12.84 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.408 -7.663  -18.327 1.00 12.37 ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.737 -7.710  -16.989 1.00 12.77 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -32.962 -6.886  -15.939 1.00 13.79 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.788 -8.673  -16.463 1.00 12.65 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.206 -7.185  -14.856 1.00 13.46 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.486 -8.323  -15.137 1.00 14.01 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.156 -9.820  -17.002 1.00 14.20 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.567 -8.989  -14.347 1.00 13.83 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.254 -10.503 -16.212 1.00 13.73 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -29.989 -10.107 -14.890 1.00 14.61 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.548 -10.425 -19.793 1.00 11.61 ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.782 -11.682 -19.993 1.00 11.93 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.416 -11.294 -20.572 1.00 12.10 ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.394 -10.381 -21.449 1.00 11.99 ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.442 -12.635 -20.990 1.00 13.08 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -34.927 -12.901 -20.853 1.00 16.84 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.385 -12.935 -19.750 1.00 19.43 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.589 -13.078 -21.905 1.00 18.25 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.344 -12.005 -20.229 1.00 10.83 ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -28.992 -11.742 -20.757 1.00 10.58 ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.282 -13.076 -20.946 1.00 10.69 ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.406 -13.977 -20.116 1.00 11.28 ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.172 -10.883 -19.803 1.00 11.99 ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.530 -9.417  -19.673 1.00 13.08 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.678 -8.823  -18.560 1.00 14.31 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.329 -8.695  -20.980 1.00 13.63 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.440 -13.094 -21.972 1.00 10.29 ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.477 -14.198 -22.108 1.00 11.78 ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -25.947 -14.268 -23.528 1.00 10.58 ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.572 -13.280 -24.092 1.00 10.70 ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -25.841 -15.502 -24.036 0.25 10.97 ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -25.934 -15.475 -24.077 0.25 11.45 ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.453 -15.809 -25.444 0.25 11.37 ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.405 -15.741 -25.438 0.25 12.09 ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.450 -16.786 -26.056 0.25 11.47 ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.300 -16.828 -26.051 0.25 11.88 ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.164 -17.510 -25.351 0.25 12.04 ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.893 -17.604 -25.299 0.25 12.62 ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.048 -16.423 -25.574 0.25 11.73 ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.917 -16.129 -25.331 0.25 13.25 ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -22.986 -15.415 -25.222 0.25 11.49 ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.748 -17.500 -24.697 0.25 13.01 ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -23.891 -17.682 -24.739 0.25 11.47 ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.194 -16.060 -26.661 0.25 14.08 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.451 -16.839 -27.377 1.00 11.50 ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.267 -17.830 -28.079 1.00 12.44 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.595 -18.231 -29.377 1.00 12.81 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.684 -17.511 -29.885 1.00 12.06 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.660 -17.297 -28.345 1.00 13.41 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.754 -15.880 -29.474 1.00 14.48 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.051 -19.344 -29.919 0.25 12.86 ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -26.996 -19.377 -29.904 0.25 12.43 ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.665 -19.772 -31.284 0.25 13.89 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.555 -19.843 -31.247 0.25 13.21 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.061 -18.710 -32.302 0.25 13.45 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.076 -18.865 -32.318 0.25 13.28 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.124 -18.087 -32.175 0.25 13.26 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.253 -18.440 -32.218 0.25 13.04 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.348 -21.087 -31.642 0.25 14.68 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.047 -21.281 -31.461 0.25 13.34 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.811 -22.228 -30.806 0.25 15.16 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.380 -22.005 -32.620 0.25 13.18 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.384 -23.548 -31.246 0.25 16.42 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -26.947 -23.387 -32.834 0.25 12.88 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -27.047 -24.592 -30.290 0.25 15.39 ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.813 -24.189 -31.635 0.25 13.10 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.879 -25.556 -29.945 0.25 15.66 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.823 -24.794 -31.003 0.25 12.81 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.103 -25.579 -30.442 0.25 15.07 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.042 -24.738 -31.484 0.25 14.05 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.492 -26.477 -29.081 0.25 17.12 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.591 -25.471 -29.899 0.25 12.55 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.261 -18.578 -33.350 1.00 14.50 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.652 -17.654 -34.448 1.00 15.51 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -27.950 -18.182 -35.057 1.00 17.25 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.677 -17.359 -35.643 1.00 19.38 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.541 -17.549 -35.490 1.00 18.37 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.136 -18.834 -36.163 1.00 22.54 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.586 -19.951 -35.738 1.00 26.68 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.349 -18.707 -37.147 1.00 27.42 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.221 -19.487 -35.018 1.00 15.62 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.388 -20.080 -35.719 1.00 17.35 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.652 -20.209 -34.848 1.00 16.18 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.576 -20.930 -35.224 1.00 16.31 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -28.974 -21.418 -36.317 1.00 19.57 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.538 -22.267 -35.323 1.00 20.27 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.724 -19.568 -33.673 1.00 14.32 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -31.951 -19.643 -32.860 1.00 15.44 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.159 -19.165 -33.666 1.00 14.63 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.070 -18.227 -34.498 1.00 15.16 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.837 -18.903 -31.510 1.00 14.40 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.845 -19.581 -30.586 1.00 14.54 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.627 -17.415 -31.612 1.00 14.41 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.292 -19.768 -33.353 1.00 16.40 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.638 -19.344 -33.867 1.00 17.27 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.857 -17.863 -33.538 1.00 16.86 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.573 -17.453 -32.409 1.00 17.34 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.658 -20.265 -33.199 1.00 20.37 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.136 -19.949 -33.427 1.00 23.57 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.020 -20.784 -32.511 1.00 27.43 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.600 -21.786 -31.894 1.00 28.92 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.294 -20.389 -32.381 1.00 28.97 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.420 -17.122 -34.475 1.00 15.68 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.695 -15.668 -34.344 1.00 15.14 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.203 -15.454 -34.196 1.00 16.88 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.543 -14.434 -33.598 1.00 16.70 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.151 -14.868 -35.521 1.00 16.38 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.667 -15.048 -35.826 1.00 15.22 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.774 -14.822 -34.605 1.00 17.83 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.412 -15.270 -34.916 1.00 17.61 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.489 -14.565 -35.534 1.00 17.83 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.752 -13.344 -35.931 1.00 19.14 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.333 -15.106 -35.843 1.00 20.18 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.056 -16.312 -34.758 1.00 16.61 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.506 -16.029 -34.890 1.00 17.06 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.306 -16.918 -33.970 1.00 19.27 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -40.956 -18.115 -33.836 1.00 20.57 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -40.940 -16.194 -36.347 1.00 17.63 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.121 -15.458 -37.376 1.00 19.27 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.038 -13.937 -37.149 1.00 19.93 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.293 -13.271 -38.268 1.00 19.99 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.172 -11.810 -38.047 1.00 21.80 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.370 -16.395 -33.402 1.00 19.01 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.273 -17.195 -32.576 1.00 19.34 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.804 -17.343 -31.149 1.00 20.08 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.804 -16.635 -30.769 1.00 19.31 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.447 -18.236 -30.404 1.00 20.99 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.171 -18.486 -28.985 1.00 22.88 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.095 -19.562 -28.856 1.00 21.62 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -41.991 -20.455 -29.725 1.00 21.81 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.477 -18.867 -28.274 1.00 28.64 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.520 -17.782 -28.437 1.00 33.29 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.871 -18.213 -27.953 1.00 43.67 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.148 -18.167 -26.756 1.00 55.48 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.713 -18.617 -28.897 1.00 48.26 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.222 -19.387 -27.875 1.00 18.62 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.188 -20.369 -27.507 1.00 18.62 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.695 -20.091 -26.096 1.00 18.15 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.845 -18.983 -25.562 1.00 19.75 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.010 -20.291 -28.473 1.00 18.32 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.398 -18.924 -28.612 1.00 18.13 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.402 -18.518 -27.732 1.00 19.91 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.748 -18.065 -29.644 1.00 18.25 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.788 -17.290 -27.881 1.00 17.59 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.122 -16.838 -29.796 1.00 17.31 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.124 -16.469 -28.918 1.00 17.73 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.142 -21.112 -25.442 0.25 19.08 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.101 -21.125 -25.498 0.25 18.18 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.511 -20.954 -24.110 0.25 19.57 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.472 -21.091 -24.156 0.25 18.17 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.004 -20.775 -24.283 0.25 17.95 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -36.975 -20.799 -24.295 0.25 17.08 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.429 -21.295 -25.266 0.25 18.25 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.366 -21.262 -25.291 0.25 17.28 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -38.794 -22.108 -23.205 0.25 22.41 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.702 -22.390 -23.433 0.25 19.49 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.521 -23.317 -23.881 0.25 25.20 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.096 -22.581 -23.203 0.25 20.32 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.414 -20.049 -23.343 1.00 16.06 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -34.960 -19.863 -23.276 1.00 16.92 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.362 -21.080 -22.593 1.00 17.13 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.470 -21.233 -21.373 1.00 18.02 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.619 -18.602 -22.496 1.00 17.10 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.073 -17.317 -23.157 1.00 17.57 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.743 -16.139 -22.264 1.00 18.77 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.476 -17.109 -24.538 1.00 19.75 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.685 -21.962 -23.344 1.00 15.55 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.070 -23.192 -22.807 1.00 15.20 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -31.876 -23.538 -23.667 1.00 13.24 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -31.888 -23.208 -24.863 1.00 13.61 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -33.998 -24.383 -22.794 1.00 16.99 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.385 -24.702 -24.121 1.00 20.72 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -30.930 -24.307 -23.140 1.00 13.74 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.824 -24.793 -23.965 1.00 14.99 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.316 -25.674 -25.116 1.00 14.32 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.728 -25.563 -26.226 1.00 15.46 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -28.945 -25.562 -22.964 1.00 15.53 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.220 -24.846 -21.629 1.00 15.81 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.705 -24.564 -21.706 1.00 15.51 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.412 -26.406 -24.911 1.00 15.74 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -31.965 -27.254 -26.009 1.00 18.77 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.384 -26.368 -27.185 1.00 18.53 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.283 -26.792 -28.379 1.00 19.46 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.113 -28.115 -25.498 1.00 23.36 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.713 -28.942 -24.294 1.00 33.51 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.154 -28.374 -22.946 1.00 40.15 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.374 -27.554 -22.306 1.00 26.28 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.275 -28.801 -22.503 1.00 46.41 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.862 -25.143 -26.923 1.00 15.84 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.265 -24.203 -27.989 1.00 15.78 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.117 -23.291 -28.425 1.00 14.93 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.334 -22.447 -29.267 1.00 15.82 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.488 -23.371 -27.570 1.00 16.38 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.780 -24.148 -27.543 1.00 19.33 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.874 -25.218 -28.170 1.00 21.61 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.739 -23.695 -26.738 1.00 20.64 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -30.904 -23.449 -27.897 1.00 13.10 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.745 -22.670 -28.306 1.00 13.19 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.514 -21.399 -27.507 1.00 12.56 ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.830 -20.525 -28.008 1.00 12.72 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -29.934 -21.365 -26.230 1.00 13.62 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.731 -20.159 -25.378 1.00 13.44 ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.073 -20.499 -24.049 1.00 12.26 ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.493 -21.521 -23.422 1.00 13.05 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.076 -19.491 -25.021 1.00 13.47 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.868 -18.998 -26.203 1.00 12.18 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.782 -19.817 -26.828 1.00 12.95 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.736 -17.696 -26.643 1.00 13.00 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.490 -19.375 -27.930 1.00 13.48 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.473 -17.242 -27.722 1.00 14.17 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.389 -18.069 -28.322 1.00 13.04 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.095 -19.695 -23.617 1.00 11.09 ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.402 -19.791 -22.315 1.00 11.24 ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.580 -18.437 -21.635 1.00 10.32 ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.833 -17.499 -21.960 1.00 11.32 ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -25.933 -20.253 -22.479 1.00 10.50 ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.879 -21.618 -23.105 1.00 11.05 ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.776 -22.816 -22.460 1.00 12.67 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.888 -21.923 -24.528 1.00 11.49 ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.795 -23.846 -23.386 1.00 13.10 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.863 -23.329 -24.643 1.00 13.28 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -25.953 -21.144 -25.677 1.00 11.76 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -25.920 -23.966 -25.888 1.00 13.51 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -25.979 -21.789 -26.899 1.00 13.17 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -25.978 -23.160 -26.981 1.00 12.99 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.583 -18.359 -20.754 1.00 11.46 ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.088 -17.045 -20.282 1.00 10.93 ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.426 -17.124 -18.784 1.00 11.39 ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.692 -18.202 -18.260 1.00 11.19 ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.342 -16.608 -21.035 1.00 11.92 ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.402 -17.527 -20.809 1.00 12.64 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.053 -16.401 -22.509 1.00 12.00 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.457 -15.940 -18.172 1.00 11.28 ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.109 -15.729 -16.838 1.00 11.23 ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.106 -14.590 -17.030 1.00 12.32 ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.043 -13.821 -18.027 1.00 11.64 ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.083 -15.415 -15.717 1.00 12.20 ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.395 -14.067 -15.903 1.00 12.60 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.088 -16.546 -15.619 1.00 13.06 ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.544 -13.595 -14.748 1.00 12.97 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -31.947 -14.441 -16.040 1.00 11.58 ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -32.975 -13.378 -16.098 1.00 11.47 ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.402 -12.948 -14.717 1.00 11.59 ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.239 -13.627 -13.707 1.00 12.75 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.155 -13.801 -16.925 1.00 14.49 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -34.961 -14.933 -16.419 1.00 16.50 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.805 -14.926 -15.346 1.00 17.50 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.074 -16.199 -17.056 1.00 17.35 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.493 -16.096 -15.316 1.00 20.18 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.075 -16.894 -16.347 1.00 18.01 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.491 -16.769 -18.181 1.00 18.48 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.417 -18.196 -16.684 1.00 20.81 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -34.887 -18.028 -18.545 1.00 20.63 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -35.840 -18.712 -17.815 1.00 18.89 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -33.988 -11.725 -14.708 1.00 12.60 ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.770 -11.181 -13.594 1.00 13.24 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.241 -11.144 -14.010 1.00 12.26 ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.541 -10.671 -15.106 1.00 12.35 ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.303 -9.763  -13.297 1.00 13.55 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.137 -8.989  -12.275 1.00 13.72 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.171 -9.666  -10.909 1.00 15.08 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.671 -7.547  -12.152 1.00 15.18 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.129 -11.614 -13.129 1.00 13.98 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.586 -11.616 -13.366 1.00 15.09 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.296 -11.651 -12.025 1.00 16.20 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -38.993 -12.545 -11.212 1.00 16.07 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -38.947 -12.833 -14.215 1.00 19.48 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.394 -13.086 -14.360 1.00 22.97 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.164 -14.059 -13.773 1.00 23.66 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.262 -12.270 -15.133 1.00 22.45 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.452 -13.926 -14.197 1.00 23.83 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.546 -12.831 -15.012 1.00 20.88 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.078 -11.153 -15.939 1.00 22.42 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.655 -12.306 -15.656 1.00 26.09 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.182 -10.609 -16.551 1.00 26.43 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.454 -11.158 -16.392 1.00 25.78 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.168 -10.663 -11.765 1.00 15.83 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -40.965 -10.684 -10.503 1.00 16.46 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.089 -10.888 -9.296  1.00 17.30 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.438 -11.751 -8.411  1.00 19.72 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.085 -11.711 -10.626 1.00 18.67 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -42.993 -11.459 -11.822 1.00 19.31 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.293 -12.225 -11.850 1.00 22.68 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.255 -11.842 -12.557 1.00 26.07 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.330 -13.305 -11.095 1.00 20.42 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.057 -10.082 -9.172  1.00 17.78 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.253 -9.983  -7.948  1.00 21.90 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.481 -11.283 -7.677  1.00 22.31 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.889 -11.360 -6.583  1.00 30.04 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.213 -9.723  -6.780  1.00 26.33 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.605 -9.055  -5.584  1.00 35.11 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.612 -8.308  -5.755  1.00 40.98 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -39.165 -9.270  -4.468  1.00 46.81 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.361 -12.178 -8.653  1.00 18.07 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.447 -13.355 -8.535  1.00 19.89 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.509 -13.457 -9.737  1.00 17.55 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.883 -13.111 -10.901 1.00 16.61 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.206 -14.614 -8.218  1.00 25.23 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -37.896 -15.140 -9.323  1.00 32.93 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.317 -13.965 -9.471  1.00 15.07 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.319 -14.228 -10.548 1.00 13.90 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.285 -15.726 -10.808 1.00 13.48 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.277 -16.519 -9.871  1.00 14.22 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -31.945 -13.718 -10.130 1.00 13.59 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.881 -12.211 -9.900  1.00 14.91 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.114 -11.699 -8.645  1.00 16.03 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.512 -11.329 -10.899 1.00 14.09 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.046 -10.335 -8.393  1.00 16.96 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.457 -9.958  -10.665 1.00 14.59 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.695 -9.472  -9.399  1.00 16.25 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.674 -8.118  -9.165  1.00 15.99 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.269 -16.129 -12.085 0.25 13.33 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.264 -16.104 -12.092 0.25 13.43 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.252 -17.565 -12.473 0.25 13.76 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.270 -17.520 -12.544 0.25 13.91 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.337 -17.785 -13.679 0.25 12.46 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.198 -17.723 -13.619 0.25 12.37 ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.262 -16.913 -14.555 0.25 12.35 ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -31.824 -16.749 -14.318 0.25 11.90 ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.656 -18.064 -12.794 0.25 15.11 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.636 -17.908 -13.100 0.25 15.41 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.615 -17.954 -11.616 0.25 16.78 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.775 -17.727 -12.103 0.25 17.98 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.047 -18.318 -11.962 0.25 19.07 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -35.950 -18.866 -11.108 0.25 19.88 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.479 -17.988 -13.081 0.25 20.89 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.495 -19.992 -11.392 0.25 23.90 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.726 -18.945 -11.120 0.25 18.57 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.585 -18.631 -10.073 0.25 25.93 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.703 -18.960 -13.735 1.00 12.05 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -30.946 -19.380 -14.922 1.00 12.49 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -31.878 -20.134 -15.859 1.00 12.83 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.751 -20.928 -15.435 1.00 13.43 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.769 -20.248 -14.542 1.00 12.90 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.713 -19.872 -17.151 1.00 12.78 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.510 -20.466 -18.248 1.00 13.42 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.152 -21.898 -18.550 1.00 14.44 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -31.828 -22.211 -19.658 1.00 16.90 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.155 -22.760 -17.567 1.00 16.73 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.176 -24.205 -17.782 1.00 17.41 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.613 -24.669 -18.028 1.00 17.99 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.526 -23.885 -17.863 1.00 21.40 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.542 -24.828 -16.553 1.00 15.11 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.211 -24.366 -15.363 1.00 15.89 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.075 -24.557 -16.402 1.00 17.92 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -33.800 -25.956 -18.344 1.00 20.30 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.149 -26.519 -18.554 1.00 23.97 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.322 -27.721 -17.625 1.00 25.00 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.674 -28.753 -17.799 1.00 28.08 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.376 -26.887 -20.011 1.00 30.10 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.686 -27.410 -20.140 1.00 32.48 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.063 -27.578 -16.514 1.00 24.73 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.725 -26.333 -16.136 1.00 23.29 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.755 -25.342 -15.473 1.00 20.29 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.617 -25.692 -15.191 1.00 19.53 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.750 -26.783 -15.097 1.00 26.68 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.088 -27.985 -14.426 1.00 26.81 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.240 -28.645 -15.502 1.00 26.51 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.225 -24.124 -15.270 1.00 20.40 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.375 -23.007 -14.805 1.00 18.63 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.841 -23.270 -13.396 1.00 16.10 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.464 -23.996 -12.616 1.00 16.91 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.060 -21.643 -14.926 1.00 23.82 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.107 -21.329 -13.880 1.00 31.21 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.490 -21.617 -14.398 1.00 43.13 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.698 -22.507 -15.230 1.00 50.52 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.458 -20.893 -13.857 1.00 50.97 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.680 -22.699 -13.112 1.00 14.10 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -32.960 -22.856 -11.827 1.00 13.42 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -33.005 -21.553 -11.034 1.00 13.62 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.544 -20.517 -11.535 1.00 14.60 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.524 -23.328 -12.093 1.00 13.90 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.584 -24.561 -12.810 1.00 15.02 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.739 -23.470 -10.810 1.00 15.21 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.404 -21.620 -9.766  1.00 13.94 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.347 -20.491 -8.820  1.00 14.71 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -31.914 -20.033 -8.568  1.00 14.25 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -31.038 -20.876 -8.264  1.00 17.25 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -34.000 -20.964 -7.516  1.00 17.89 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.363 -21.247 -7.789  1.00 20.74 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.862 -19.935 -6.424  1.00 21.88 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.635 -18.740 -8.669  1.00 13.08 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.314 -18.130 -8.360  1.00 12.66 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.391 -17.543 -6.947  1.00 17.41 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.506 -17.287 -6.455  1.00 19.97 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -29.889 -17.067 -9.386  1.00 13.63 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.813 -17.568 -10.828 1.00 13.18 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.561 -16.460 -11.818 1.00 13.55 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.759 -18.652 -10.961 1.00 14.87 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.250 -17.426 -6.304  1.00 16.13 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.151 -16.947 -4.900  1.00 16.41 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.277 -15.709 -4.948  1.00 17.38 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.035 -15.847 -5.018  1.00 23.75 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.527 -18.055 -4.031  1.00 19.54 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.345 -19.319 -3.979  1.00 22.07 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -29.070 -20.446 -4.767  1.00 26.45 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.465 -19.616 -3.287  1.00 26.00 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -30.020 -21.367 -4.546  1.00 26.16 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.838 -20.901 -3.606  1.00 24.68 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.855 -14.535 -5.019  1.00 20.17 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.057 -13.289 -5.138  1.00 21.76 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.440 -12.408 -3.917  1.00 22.82 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.608 -12.151 -3.717  1.00 29.16 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.282 -12.599 -6.502  1.00 24.81 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.180 -13.545 -7.709  1.00 21.80 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -27.254 -11.477 -6.627  1.00 28.59 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.331 -12.832 -9.044  1.00 22.15 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.469 -12.071 -3.096  1.00 29.09 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.723 -11.290 -1.848  1.00 32.33 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.759 -9.798  -2.203  1.00 28.85 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.582 -9.048  -1.596  1.00 29.00 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.646 -11.671 -0.827  1.00 36.13 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.700 -10.864 0.474   1.00 48.33 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -27.978 -11.011 1.279   1.00 53.43 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.857 -11.824 0.988   1.00 56.84 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.100 -10.198 2.316   1.00 59.90 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -26.968 -9.401  -3.198  1.00 24.71 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.797 -7.965  -3.597  1.00 22.16 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.358 -7.777  -5.005  1.00 22.38 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.753 -8.288  -5.952  1.00 21.35 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.325 -7.530  -3.519  1.00 25.04 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.111 -6.106  -4.031  1.00 23.74 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.755 -7.660  -2.113  1.00 27.86 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.580 -7.226  -5.180  1.00 21.28 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.211 -7.098  -6.497  1.00 21.42 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.214 -6.426  -7.417  1.00 21.04 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.724 -5.355  -7.126  1.00 20.42 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.466 -6.252  -6.195  1.00 25.27 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.806 -6.676  -4.766  1.00 23.66 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.475 -6.768  -4.088  1.00 25.67 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.851 -7.032  -8.559  1.00 18.13 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.827 -6.458  -9.416  1.00 17.46 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.311 -5.233  -10.206 1.00 16.25 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.438 -5.250  -10.697 1.00 17.20 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.418 -7.605  -10.351 1.00 18.41 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.511 -8.600  -10.245 1.00 20.46 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.219 -8.407  -8.934  1.00 18.34 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.442 -4.225  -10.316 1.00 16.69 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.634 -3.095  -11.261 1.00 18.00 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.878 -3.364  -12.566 1.00 15.98 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.229 -2.802  -13.592 1.00 15.15 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.197 -1.767  -10.670 1.00 21.56 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.273 -1.346  -9.268  1.00 29.81 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.807 -4.174  -12.537 0.25 15.84 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -24.898 -4.269  -12.512 0.25 16.08 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.053 -4.569  -13.765 0.25 16.07 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.037 -4.606  -13.669 0.25 16.86 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.667 -6.051  -13.675 0.25 14.97 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.770 -6.116  -13.630 0.25 15.46 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.239 -6.505  -12.589 0.25 14.20 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.631 -6.685  -12.511 0.25 14.42 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.775 -3.758  -14.020 0.25 17.64 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.758 -3.766  -13.652 0.25 19.31 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -22.996 -2.274  -14.275 0.25 19.37 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.007 -2.280  -13.867 0.25 21.63 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -22.899 -1.506  -12.982 0.25 21.22 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.738 -1.505  -14.117 0.25 22.85 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.177 -1.902  -12.071 0.25 21.56 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.643 -2.055  -14.156 0.25 26.89 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.645 -0.413  -12.884 0.25 21.18 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.880 -0.206  -14.278 0.25 25.67 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.813 -6.747  -14.809 1.00 13.94 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.631 -8.215  -14.957 1.00 14.23 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.421 -8.375  -15.874 1.00 14.67 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.385 -7.787  -16.988 1.00 14.36 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -24.882 -8.868  -15.550 1.00 14.92 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.178 -8.673  -14.746 1.00 18.19 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.605 -10.346 -15.805 1.00 15.38 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.228 -9.438  -13.536 1.00 17.23 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.475 -9.233  -15.482 1.00 14.32 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.397 -9.680  -16.369 1.00 13.83 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.688 -11.054 -16.950 1.00 13.70 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.239 -11.929 -16.273 1.00 13.67 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.507 -11.186 -18.267 1.00 13.79 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.759 -12.451 -18.999 1.00 13.44 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.436 -12.926 -19.592 1.00 13.81 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.760 -12.185 -20.286 1.00 13.94 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.808 -12.241 -20.098 1.00 14.44 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.107 -11.735 -19.473 1.00 17.07 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.030 -13.507 -20.929 1.00 15.34 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.096 -11.284 -20.445 1.00 21.37 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.072 -14.150 -19.282 1.00 13.70 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.805 -14.777 -19.720 1.00 13.28 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.131 -16.035 -20.513 1.00 12.86 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -18.926 -16.889 -20.053 1.00 13.76 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -16.957 -15.201 -18.536 1.00 15.22 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.701 -15.968 -18.905 1.00 15.91 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.681 -15.342 -19.605 1.00 18.29 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.534 -17.290 -18.537 1.00 18.10 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.504 -16.027 -19.887 1.00 21.03 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.397 -17.998 -18.902 1.00 19.39 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.373 -17.348 -19.536 1.00 18.67 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.571 -16.142 -21.709 1.00 13.73 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.732 -17.342 -22.562 1.00 14.08 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.357 -17.950 -22.856 1.00 12.81 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.461 -17.252 -23.325 1.00 15.39 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.455 -17.028 -23.878 1.00 14.05 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.560 -18.286 -24.744 1.00 15.68 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.823 -16.406 -23.616 1.00 15.33 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.206 -19.233 -22.552 1.00 13.81 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.019 -20.030 -22.994 1.00 16.04 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.522 -21.053 -24.008 1.00 14.17 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.149 -22.060 -23.624 1.00 14.91 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.276 -20.616 -21.818 1.00 14.53 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.003 -21.350 -22.207 1.00 18.04 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.898 -21.795 -23.384 1.00 18.51 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.165 -21.479 -21.276 1.00 23.03 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.320 -20.751 -25.292 1.00 15.19 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.877 -21.589 -26.373 1.00 14.32 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.323 -23.029 -26.300 1.00 15.84 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.062 -23.963 -26.251 1.00 17.91 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.608 -20.963 -27.750 1.00 15.46 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.547 -21.541 -28.781 1.00 15.57 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.383 -22.821 -29.272 1.00 16.10 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.688 -20.869 -29.176 1.00 15.59 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.279 -23.394 -30.142 1.00 15.35 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.600 -21.439 -30.049 1.00 14.10 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.391 -22.694 -30.578 1.00 14.83 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.293 -23.301 -31.395 1.00 14.97 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.013 -23.142 -26.179 1.00 18.43 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.382 -24.490 -26.216 1.00 18.02 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.808 -25.297 -25.008 1.00 17.74 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.084 -26.491 -25.160 1.00 21.12 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.873 -24.345 -26.318 1.00 20.50 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.428 -24.174 -27.770 1.00 27.59 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.836 -22.868 -28.365 1.00 31.85 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.158 -22.846 -29.518 1.00 28.96 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.858 -21.871 -27.611 1.00 36.94 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.875 -24.689 -23.822 1.00 17.10 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.252 -25.373 -22.584 1.00 17.49 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.753 -25.690 -22.522 1.00 17.56 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.142 -26.529 -21.691 1.00 20.25 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.847 -24.523 -21.415 1.00 18.94 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.602 -25.027 -23.313 1.00 14.81 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.050 -25.214 -23.217 1.00 14.34 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.597 -24.569 -21.935 1.00 14.86 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.384 -25.249 -21.246 1.00 14.91 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.211 -23.335 -21.626 1.00 14.24 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.592 -22.643 -20.356 1.00 13.58 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.221 -21.289 -20.674 1.00 13.14 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.635 -20.493 -21.460 1.00 14.46 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.350 -22.454 -19.491 1.00 14.89 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.637 -21.544 -18.301 1.00 15.70 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -16.883 -23.827 -19.047 1.00 15.48 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.321 -20.966 -20.009 1.00 12.60 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.853 -19.576 -19.954 1.00 11.87 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.064 -19.239 -18.473 1.00 11.63 ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.830 -19.979 -17.803 1.00 13.22 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.186 -19.472 -20.715 1.00 12.44 ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.664 -18.021 -20.684 1.00 12.06 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.050 -19.977 -22.137 1.00 12.87 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.414 -18.198 -17.996 1.00 11.49 ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.510 -17.785 -16.585 1.00 12.47 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -20.993 -16.337 -16.483 1.00 12.06 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.684 -15.508 -17.319 1.00 13.01 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.186 -17.943 -15.904 1.00 12.93 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.829 -19.318 -15.784 1.00 13.62 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.676 -16.057 -15.390 1.00 11.92 ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.277 -14.752 -15.072 1.00 11.65 ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.733 -14.295 -13.731 1.00 12.36 ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.761 -15.094 -12.767 1.00 12.76 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.815 -14.858 -15.055 1.00 11.37 ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.395 -15.266 -16.369 1.00 11.10 ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.444 -16.613 -16.742 1.00 10.89 ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -24.896 -14.302 -17.235 1.00 11.57 ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -24.962 -16.971 -17.979 1.00 11.47 ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.411 -14.690 -18.477 1.00 10.94 ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.465 -16.016 -18.831 1.00 10.81 ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.406 -13.017 -13.655 1.00 12.68 ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.742 -12.410 -12.478 1.00 13.65 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.501 -11.151 -12.051 1.00 14.63 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -21.982 -10.369 -12.852 1.00 15.49 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.270 -12.115 -12.746 1.00 14.10 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.469 -13.362 -13.047 1.00 14.60 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -17.989 -14.142 -12.018 1.00 15.90 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.282 -13.831 -14.338 1.00 15.39 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.289 -15.322 -12.264 1.00 15.66 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.593 -15.007 -14.609 1.00 15.62 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.065 -15.754 -13.566 1.00 16.59 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.424 -16.951 -13.813 1.00 19.36 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.538 -10.921 -10.744 1.00 15.13 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.242 -9.754  -10.130 1.00 15.07 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.203 -8.646  -9.944  1.00 16.02 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.448 -8.673  -8.949  1.00 16.95 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.891 -10.195 -8.812  1.00 15.64 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.679 -9.097  -8.122  1.00 15.85 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.526 -7.935  -8.497  1.00 17.92 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.574 -9.477  -7.244  1.00 16.58 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.157 -7.646  -10.817 1.00 16.96 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.073 -6.635  -10.791 1.00 18.11 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.293 -5.761  -9.535  1.00 19.33 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.293 -5.300  -8.973  1.00 22.20 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.049 -5.839  -12.098 1.00 19.63 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -19.881 -6.719  -13.340 1.00 20.24 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.000 -4.731  -12.068 1.00 20.67 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.809 -7.770  -13.202 1.00 24.08 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.538 -5.563  -9.124  1.00 18.51 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -21.941 -4.710  -7.959  1.00 19.01 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.394 -5.344  -6.681  1.00 22.80 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.028 -4.584  -5.762  1.00 26.27 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.470 -4.576  -7.907  1.00 19.25 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -23.917 -4.133  -9.183  1.00 19.56 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -23.910 -3.577  -6.853  1.00 21.77 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.260 -6.668  -6.641  1.00 21.18 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.782 -7.439  -5.454  1.00 23.18 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.367 -7.981  -5.711  1.00 22.09 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.167 -9.188  -5.577  1.00 22.81 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.846 -8.438  -5.047  1.00 22.55 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.452 -9.240  -3.828  1.00 29.52 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -20.946 -8.605  -2.878  1.00 27.38 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.575 -10.483 -3.882  1.00 27.17 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.423 -7.129  -6.101  1.00 24.70 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -16.982 -7.488  -6.219  1.00 27.76 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.821 -8.666  -7.193  1.00 26.35 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -15.880 -9.456  -7.047  1.00 28.89 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.377 -7.912  -4.865  1.00 33.68 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.660 -7.035  -3.686  1.00 40.68 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -15.918 -5.896  -3.416  1.00 46.51 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.536 -7.170  -2.664  1.00 46.03 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.354 -5.339  -2.301  1.00 49.80 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.353 -6.099  -1.820  1.00 49.31 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.704 -8.814  -8.183  1.00 21.77 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.480 -9.832  -9.228  1.00 18.95 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.913 -11.229 -8.817  1.00 17.89 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.361 -12.155 -9.375  1.00 18.34 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.737 -11.378 -7.792  1.00 17.04 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.094 -12.703 -7.236  1.00 16.56 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.803 -13.545 -8.306  1.00 16.55 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.559 -13.015 -9.131  1.00 15.96 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -19.924 -12.595 -5.973  1.00 17.77 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.125 -11.846 -6.152  1.00 19.23 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.575 -14.838 -8.310  1.00 15.12 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.265 -15.721 -9.298  1.00 14.38 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.765 -15.761 -9.051  1.00 13.53 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.250 -15.967 -7.911  1.00 15.12 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.710 -17.147 -9.160  1.00 14.22 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.246 -18.197 -10.139 1.00 14.25 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.863 -17.916 -11.578 1.00 14.64 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.688 -19.579 -9.708  1.00 15.65 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.523 -15.654 -10.137 1.00 12.35 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -23.964 -15.870 -10.156 1.00 13.11 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.284 -17.298 -10.600 1.00 12.11 ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.140 -17.980 -10.014 1.00 13.06 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.653 -14.785 -11.016 1.00 13.13 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.481 -13.395 -10.433 1.00 13.76 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.135 -15.100 -11.199 1.00 13.09 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -24.922 -12.293 -11.383 1.00 14.83 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.758 -17.689 -11.763 1.00 12.02 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.130 -18.989 -12.355 1.00 11.10 ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.098 -19.374 -13.403 1.00 11.64 ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.627 -18.500 -14.144 1.00 12.00 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.513 -18.922 -13.071 1.00 12.67 ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.057 -20.276 -13.426 1.00 12.40 ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.697 -21.065 -12.479 1.00 13.30 ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -25.979 -20.767 -14.728 1.00 11.67 ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.130 -22.341 -12.798 1.00 13.59 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.401 -22.037 -15.053 1.00 12.93 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -26.999 -22.814 -14.090 1.00 13.40 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.416 -24.092 -14.354 1.00 16.04 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.852 -20.675 -13.525 1.00 11.58 ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.008 -21.281 -14.580 1.00 13.27 ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.784 -22.386 -15.275 1.00 13.02 ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.180 -23.384 -14.656 1.00 13.60 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.683 -21.841 -14.009 1.00 13.71 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -19.879 -20.738 -13.616 1.00 13.79 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -19.907 -22.663 -15.022 1.00 15.34 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -22.973 -22.236 -16.588 1.00 12.59 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.380 -23.345 -17.493 1.00 12.71 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.087 -24.029 -17.941 1.00 13.24 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.213 -23.375 -18.455 1.00 12.79 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.038 -22.830 -18.769 1.00 13.30 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.403 -22.208 -18.601 1.00 11.13 ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.558 -20.849 -18.341 1.00 11.32 ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.539 -22.952 -18.780 1.00 11.96 ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.824 -20.302 -18.240 1.00 11.83 ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.814 -22.406 -18.688 1.00 12.06 ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -27.943 -21.069 -18.434 1.00 10.99 ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -21.987 -25.330 -17.675 1.00 14.73 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.833 -26.106 -18.144 1.00 16.45 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.321 -27.251 -19.027 1.00 17.19 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.543 -27.534 -19.096 1.00 17.67 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.014 -26.509 -16.935 1.00 18.46 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.680 -27.491 -16.200 1.00 21.71 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.366 -27.904 -19.695 1.00 19.24 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.672 -28.963 -20.695 1.00 20.93 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.633 -28.402 -21.753 1.00 20.21 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.562 -29.125 -22.202 1.00 21.65 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.320 -30.198 -20.071 1.00 25.24 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.747 -30.625 -18.734 1.00 30.88 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.376 -31.943 -18.330 1.00 42.93 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.450 -31.925 -17.686 1.00 43.60 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -20.843 -32.983 -18.756 1.00 48.22 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.451 -27.130 -22.127 1.00 17.77 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.356 -26.498 -23.103 1.00 16.82 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.142 -27.141 -24.481 1.00 17.44 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -20.933 -27.347 -24.865 1.00 19.67 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.182 -24.992 -23.248 1.00 16.28 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.547 -24.098 -21.708 1.00 15.77 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.226 -27.391 -25.200 1.00 17.21 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.116 -27.885 -26.591 1.00 19.28 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.529 -26.728 -27.499 1.00 16.64 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.706 -26.564 -27.886 1.00 19.41 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -23.912 -29.205 -26.781 1.00 21.08 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -23.780 -29.693 -28.227 1.00 21.94 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.415 -30.278 -25.831 1.00 22.71 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.586 -25.838 -27.817 1.00 14.83 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.892 -24.596 -28.568 1.00 15.19 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.458 -24.953 -29.947 1.00 18.17 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.479 -24.391 -30.349 1.00 17.30 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.696 -23.664 -28.580 1.00 15.92 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.266 -23.164 -27.222 1.00 14.20 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.207 -22.651 -26.321 1.00 14.78 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.927 -23.175 -26.868 1.00 16.23 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.788 -22.181 -25.072 1.00 14.89 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.515 -22.710 -25.630 1.00 16.71 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.440 -22.167 -24.761 1.00 14.70 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.805 -25.865 -30.652 1.00 15.70 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.291 -26.411 -31.935 1.00 17.13 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.368 -25.333 -33.013 1.00 16.57 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.177 -25.510 -33.987 1.00 18.32 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.585 -27.141 -31.755 1.00 16.76 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.558 -24.303 -32.931 1.00 17.13 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.547 -23.214 -33.921 1.00 19.13 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.895 -21.955 -33.398 1.00 16.60 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.488 -21.890 -32.215 1.00 16.02 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.812 -20.928 -34.235 1.00 15.36 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.335 -19.628 -33.800 1.00 14.73 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.288 -19.070 -32.738 1.00 14.90 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.498 -19.328 -32.803 1.00 14.63 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.296 -18.739 -35.034 1.00 15.57 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.457 -19.742 -36.191 1.00 15.44 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.193 -20.931 -35.654 1.00 15.42 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.716 -18.341 -31.800 1.00 14.51 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.495 -17.707 -30.696 1.00 13.77 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.622 -16.207 -30.940 1.00 15.09 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.685 -15.565 -31.408 1.00 15.74 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.799 -17.943 -29.353 1.00 14.40 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.816 -19.369 -28.832 1.00 14.10 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.002 -19.440 -27.578 1.00 14.50 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.237 -19.872 -28.616 1.00 15.31 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.750 -15.637 -30.515 1.00 13.91 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -23.977 -14.179 -30.516 1.00 13.78 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.381 -13.711 -29.125 1.00 11.91 ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.135 -14.395 -28.439 1.00 12.25 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.046 -13.830 -31.541 1.00 15.87 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.544 -14.205 -32.941 1.00 18.40 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.422 -13.840 -34.078 1.00 21.34 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.469 -12.394 -34.163 1.00 19.65 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.146 -11.753 -35.089 1.00 20.97 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.778 -12.454 -36.004 1.00 19.95 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.212 -10.428 -35.089 1.00 17.87 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -23.935 -12.513 -28.684 1.00 12.12 ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.451 -11.922 -27.429 1.00 12.25 ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -25.965 -11.759 -27.576 1.00 11.94 ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.448 -11.429 -28.669 1.00 12.15 ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.774 -10.548 -27.348 1.00 12.16 ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.495 -10.740 -28.197 1.00 13.59 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -22.944 -11.626 -29.341 1.00 14.31 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.699 -12.033 -26.491 1.00 11.06 ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.174 -12.048 -26.514 1.00 11.85 ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.703 -11.126 -25.423 1.00 10.67 ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.212 -11.127 -24.262 1.00 10.78 ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.674 -13.470 -26.265 1.00 12.20 ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.167 -13.574 -26.047 1.00 11.80 ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.007 -13.551 -27.150 1.00 12.23 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.731 -13.628 -24.779 1.00 12.82 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.390 -13.648 -26.985 1.00 12.75 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.105 -13.681 -24.632 1.00 12.58 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -32.919 -13.686 -25.725 1.00 12.75 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.776 -10.365 -25.747 1.00 10.84 ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.376 -9.350  -24.857 1.00 11.09 ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -31.899 -9.424  -24.962 1.00 11.63 ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.408 -9.485  -26.092 1.00 11.80 ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -29.913 -7.926  -25.212 1.00 11.32 ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.415 -7.775  -25.326 1.00 11.69 ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.767 -8.097  -26.517 1.00 11.83 ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.634 -7.362  -24.248 1.00 13.09 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.380 -8.032  -26.634 1.00 11.65 ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.267 -7.200  -24.400 1.00 13.53 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.645 -7.570  -25.586 1.00 13.59 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.569 -9.234  -23.832 1.00 12.10 ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.036 -8.991  -23.794 1.00 11.80 ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.261 -7.861  -22.789 1.00 11.47 ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -33.923 -8.020  -21.609 1.00 12.03 ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.807 -10.235 -23.390 1.00 12.48 ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.305 -10.055 -23.462 1.00 14.12 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.809 -8.989  -23.769 1.00 14.00 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.006 -11.143 -23.265 1.00 15.71 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.779 -6.713  -23.264 1.00 11.70 ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.021 -5.544  -22.382 1.00 11.70 ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.280 -5.770  -21.524 1.00 12.86 ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.527 -4.964  -20.595 1.00 13.26 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.095 -4.198  -23.135 1.00 13.43 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.793 -3.879  -23.814 1.00 14.23 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.260 -4.165  -24.120 1.00 13.80 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.093 -6.772  -21.886 1.00 13.33 ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.380 -7.075  -21.232 1.00 14.08 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.475 -6.111  -21.626 1.00 13.89 ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.244 -5.063  -22.229 1.00 12.97 ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.709 -6.551  -21.422 1.00 14.33 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -41.909 -5.707  -21.597 1.00 13.67 ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -41.945 -4.649  -20.525 1.00 13.44 ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.248 -4.693  -19.540 1.00 12.52 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.189 -6.553  -21.622 1.00 14.40 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.289 -7.466  -22.817 1.00 15.51 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.683 -6.985  -24.056 1.00 17.49 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.032 -8.822  -22.685 1.00 16.97 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.742 -7.833  -25.167 1.00 18.66 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.131 -9.663  -23.780 1.00 18.13 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.522 -9.174  -24.990 1.00 17.23 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.801 -3.672  -20.769 1.00 13.59 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.019 -2.573  -19.791 1.00 12.50 ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.538 -2.419  -19.584 1.00 12.98 ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.068 -1.282  -19.657 1.00 15.21 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.337 -1.295  -20.236 1.00 13.64 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.397 -0.187  -19.217 1.00 13.79 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.453 -0.433  -18.010 1.00 14.24 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.382 1.044   -19.732 1.00 15.86 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.204 -3.471  -19.210 1.00 14.37 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.640 -3.410  -18.827 1.00 13.42 ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.814 -2.566  -17.571 1.00 14.94 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -47.905 -1.920  -17.391 1.00 15.35 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.192 -4.817  -18.613 1.00 14.14 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.278 -5.665  -19.857 1.00 16.29 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.248 -5.427  -20.811 1.00 22.13 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.451 -6.765  -20.025 1.00 19.23 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.303 -6.153  -21.998 1.00 23.40 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.511 -7.513  -21.201 1.00 18.60 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.441 -7.220  -22.167 1.00 22.63 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.512 -8.018  -23.294 1.00 27.81 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -45.874 -2.583  -16.644 1.00 13.82 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -45.976 -1.979  -15.287 1.00 14.99 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.690 -0.483  -15.327 1.00 14.75 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -45.970 0.193   -14.310 1.00 16.46 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -44.992 -2.602  -14.322 1.00 15.34 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.634 -2.363  -14.757 1.00 15.62 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -44.999 0.005   -16.358 1.00 13.96 ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.489 1.388   -16.326 1.00 14.23 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.243 1.538   -15.485 1.00 14.93 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.747 2.657   -15.391 1.00 17.44 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.706 0.446   -14.919 1.00 13.72 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.487 0.459   -14.109 1.00 14.07 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.278 -0.192  -14.790 1.00 14.64 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.216 -0.233  -14.120 1.00 16.83 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.393 -0.603  -16.051 1.00 12.35 ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.294 -1.299  -16.735 1.00 12.71 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -38.830 -0.584  -18.011 1.00 13.06 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.336 -1.248  -18.908 1.00 14.55 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.684 -2.730  -17.074 1.00 12.48 ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.476 -3.599  -17.339 1.00 12.40 ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.451 -3.412  -16.703 1.00 12.94 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.613 -4.510  -18.277 1.00 12.71 ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -38.952 0.736   -18.102 1.00 13.80 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.560 1.453   -19.335 1.00 14.40 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.042 1.606   -19.483 1.00 14.65 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.615 1.906   -20.625 1.00 15.97 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.200 2.855   -19.326 1.00 15.36 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.276 1.454   -18.410 1.00 14.82 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.824 1.759   -18.438 1.00 14.22 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.123 0.881   -19.483 1.00 15.23 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.514 -0.260  -19.730 1.00 14.32 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.188 1.585   -17.089 1.00 15.31 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.035 1.393   -20.096 1.00 14.04 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.294 0.628   -21.096 1.00 14.39 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.386 -0.478  -20.503 1.00 12.81 ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.060 -0.449  -19.311 1.00 13.74 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.378 1.696   -21.729 1.00 15.44 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.174 2.693   -20.624 1.00 16.45 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.516 2.757   -19.903 1.00 16.74 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.002 -1.423  -21.354 1.00 13.24 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.762 -2.201  -21.176 1.00 12.93 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.613 -1.393  -21.792 1.00 13.11 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.783 -0.907  -22.944 1.00 15.03 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -29.912 -3.566  -21.826 1.00 13.28 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -30.929 -4.528  -21.186 1.00 13.68 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.056 -5.805  -22.000 1.00 15.33 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.576 -4.854  -19.748 1.00 15.81 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.466 -1.341  -21.129 1.00 13.45 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.301 -0.597  -21.675 1.00 14.62 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.082 -1.481  -21.646 1.00 15.44 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.765 -2.002  -20.567 1.00 14.96 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.061 0.690   -20.880 1.00 15.94 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.236 1.631   -20.707 1.00 19.23 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.795 2.903   -20.000 1.00 23.91 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -27.915 3.855   -19.655 1.00 30.27 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.371 5.027   -18.920 1.00 34.98 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.349 -1.513  -22.737 1.00 15.31 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.007 -2.171  -22.739 1.00 14.81 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.004 -1.239  -22.068 1.00 16.67 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -21.869 -0.082  -22.544 1.00 20.10 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.638 -2.545  -24.171 1.00 15.57 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.379 -3.805  -24.637 1.00 16.00 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.583 -3.900  -26.138 1.00 20.24 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.723 -5.062  -24.067 1.00 14.73 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.380 -1.691  -20.982 1.00 16.83 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.445 -0.871  -20.149 1.00 18.85 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.092 -0.775  -20.803 1.00 21.46 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.600 -1.713  -21.393 1.00 20.66 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.155 -1.527  -18.819 1.00 20.80 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.621 -2.014  -17.919 1.00 22.88 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.415 0.372   -20.647 1.00 25.83 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.087 0.529   -21.198 1.00 29.36 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.112 -0.408  -20.480 1.00 28.14 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.299 -0.658  -19.298 1.00 29.01 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.834 2.031   -20.952 1.00 30.15 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.664 2.377   -19.761 1.00 31.56 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -18.921 1.559   -19.939 1.00 28.47 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.133 -0.861  -21.248 1.00 32.63 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -13.898 -1.585  -20.867 1.00 38.23 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.002 -0.685  -20.013 1.00 42.53 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.378 -1.252  -19.112 1.00 46.24 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.167 -1.962  -22.162 1.00 41.04 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.588 -3.536  -22.890 1.00 29.55 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.252 -3.158  -23.122 1.00 22.94 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.391 -3.891  -24.078 1.00 36.83 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.115 -3.040  -25.167 1.00 43.57 ? 201 EDO B O2  1 
HETATM 1571 N N1  . UVS C 3 .   ? -42.046 -13.110 -42.146 0.52 54.00 ? 202 UVS B N1  1 
HETATM 1572 N N   . UVS C 3 .   ? -41.649 -12.985 -43.471 0.52 55.03 ? 202 UVS B N   1 
HETATM 1573 C C   . UVS C 3 .   ? -38.730 -10.034 -45.831 0.52 50.14 ? 202 UVS B C   1 
HETATM 1574 O O   . UVS C 3 .   ? -39.281 -10.613 -44.664 0.52 50.83 ? 202 UVS B O   1 
HETATM 1575 C C1  . UVS C 3 .   ? -40.312 -11.546 -44.955 0.52 53.41 ? 202 UVS B C1  1 
HETATM 1576 C C2  . UVS C 3 .   ? -41.082 -11.848 -43.712 0.52 53.84 ? 202 UVS B C2  1 
HETATM 1577 C C3  . UVS C 3 .   ? -41.856 -11.997 -41.471 0.52 54.15 ? 202 UVS B C3  1 
HETATM 1578 N N2  . UVS C 3 .   ? -42.067 -11.868 -40.154 0.52 53.50 ? 202 UVS B N2  1 
HETATM 1579 S S   . UVS C 3 .   ? -41.291 -10.677 -42.452 0.52 54.43 ? 202 UVS B S   1 
HETATM 1580 N N1  . EPE D 4 .   ? -38.885 -15.488 -19.839 1.00 41.73 ? 203 EPE B N1  1 
HETATM 1581 C C2  . EPE D 4 .   ? -38.124 -15.264 -18.602 1.00 38.78 ? 203 EPE B C2  1 
HETATM 1582 C C3  . EPE D 4 .   ? -38.215 -13.834 -18.132 1.00 34.74 ? 203 EPE B C3  1 
HETATM 1583 N N4  . EPE D 4 .   ? -37.778 -12.894 -19.175 1.00 33.85 ? 203 EPE B N4  1 
HETATM 1584 C C5  . EPE D 4 .   ? -38.554 -13.117 -20.398 1.00 37.78 ? 203 EPE B C5  1 
HETATM 1585 C C6  . EPE D 4 .   ? -38.415 -14.543 -20.868 1.00 39.66 ? 203 EPE B C6  1 
HETATM 1586 C C7  . EPE D 4 .   ? -37.894 -11.512 -18.713 1.00 32.31 ? 203 EPE B C7  1 
HETATM 1587 C C8  . EPE D 4 .   ? -37.812 -10.472 -19.815 1.00 32.29 ? 203 EPE B C8  1 
HETATM 1588 O O8  . EPE D 4 .   ? -39.000 -10.391 -20.589 1.00 30.19 ? 203 EPE B O8  1 
HETATM 1589 C C9  . EPE D 4 .   ? -38.699 -16.868 -20.305 1.00 44.52 ? 203 EPE B C9  1 
HETATM 1590 C C10 . EPE D 4 .   ? -39.825 -17.826 -19.929 1.00 45.70 ? 203 EPE B C10 1 
HETATM 1591 S S   . EPE D 4 .   ? -39.466 -19.434 -20.595 1.00 46.36 ? 203 EPE B S   1 
HETATM 1592 O O1S . EPE D 4 .   ? -38.134 -19.312 -21.133 1.00 35.24 ? 203 EPE B O1S 1 
HETATM 1593 O O2S . EPE D 4 .   ? -40.555 -19.753 -21.478 1.00 45.78 ? 203 EPE B O2S 1 
HETATM 1594 O O3S . EPE D 4 .   ? -39.518 -20.313 -19.319 1.00 43.40 ? 203 EPE B O3S 1 
HETATM 1595 C C1  . EDO E 2 .   ? -50.524 -17.004 -32.999 1.00 43.93 ? 204 EDO B C1  1 
HETATM 1596 O O1  . EDO E 2 .   ? -49.210 -16.471 -32.999 1.00 36.81 ? 204 EDO B O1  1 
HETATM 1597 C C2  . EDO E 2 .   ? -51.023 -17.252 -31.639 1.00 44.32 ? 204 EDO B C2  1 
HETATM 1598 O O2  . EDO E 2 .   ? -51.196 -16.057 -30.938 1.00 50.12 ? 204 EDO B O2  1 
HETATM 1599 S S   . SO4 F 5 .   ? -40.387 -24.600 -26.275 1.00 41.59 ? 205 SO4 B S   1 
HETATM 1600 O O1  . SO4 F 5 .   ? -39.692 -23.627 -27.067 1.00 27.36 ? 205 SO4 B O1  1 
HETATM 1601 O O2  . SO4 F 5 .   ? -41.286 -25.344 -27.099 1.00 47.84 ? 205 SO4 B O2  1 
HETATM 1602 O O3  . SO4 F 5 .   ? -39.415 -25.496 -25.680 1.00 48.09 ? 205 SO4 B O3  1 
HETATM 1603 O O4  . SO4 F 5 .   ? -41.138 -23.966 -25.212 1.00 44.97 ? 205 SO4 B O4  1 
HETATM 1604 O O   . HOH G 6 .   ? -22.666 -1.819  -9.739  1.00 28.12 ? 301 HOH B O   1 
HETATM 1605 O O   . HOH G 6 .   ? -45.708 3.658   -34.029 1.00 23.84 ? 302 HOH B O   1 
HETATM 1606 O O   . HOH G 6 .   ? -26.865 -28.438 -27.768 1.00 27.55 ? 303 HOH B O   1 
HETATM 1607 O O   . HOH G 6 .   ? -47.056 -16.791 -31.810 1.00 22.60 ? 304 HOH B O   1 
HETATM 1608 O O   . HOH G 6 .   ? -38.591 -15.364 -11.696 1.00 35.22 ? 305 HOH B O   1 
HETATM 1609 O O   . HOH G 6 .   ? -40.075 -1.106  -9.787  1.00 31.80 ? 306 HOH B O   1 
HETATM 1610 O O   . HOH G 6 .   ? -13.464 -23.512 -31.552 1.00 17.43 ? 307 HOH B O   1 
HETATM 1611 O O   . HOH G 6 .   ? -18.676 -21.969 -35.732 1.00 19.04 ? 308 HOH B O   1 
HETATM 1612 O O   . HOH G 6 .   ? -29.549 -12.451 -37.716 1.00 25.21 ? 309 HOH B O   1 
HETATM 1613 O O   . HOH G 6 .   ? -45.058 7.394   -24.622 1.00 41.44 ? 310 HOH B O   1 
HETATM 1614 O O   . HOH G 6 .   ? -32.922 1.100   -33.434 1.00 22.67 ? 311 HOH B O   1 
HETATM 1615 O O   . HOH G 6 .   ? -15.557 -5.231  -13.769 1.00 35.21 ? 312 HOH B O   1 
HETATM 1616 O O   . HOH G 6 .   ? -38.443 0.679   -11.872 1.00 39.71 ? 313 HOH B O   1 
HETATM 1617 O O   . HOH G 6 .   ? -26.159 3.581   -35.156 1.00 33.58 ? 314 HOH B O   1 
HETATM 1618 O O   . HOH G 6 .   ? -20.708 -6.152  -2.055  1.00 44.76 ? 315 HOH B O   1 
HETATM 1619 O O   . HOH G 6 .   ? -39.950 -11.620 -22.677 1.00 30.61 ? 316 HOH B O   1 
HETATM 1620 O O   . HOH G 6 .   ? -35.952 -22.470 -19.525 1.00 27.08 ? 317 HOH B O   1 
HETATM 1621 O O   . HOH G 6 .   ? -35.742 -19.175 -30.458 1.00 30.68 ? 318 HOH B O   1 
HETATM 1622 O O   . HOH G 6 .   ? -37.980 2.800   -22.676 1.00 21.50 ? 319 HOH B O   1 
HETATM 1623 O O   . HOH G 6 .   ? -37.440 -25.348 -11.575 1.00 37.79 ? 320 HOH B O   1 
HETATM 1624 O O   . HOH G 6 .   ? -8.914  -13.399 -25.133 1.00 37.26 ? 321 HOH B O   1 
HETATM 1625 O O   . HOH G 6 .   ? -45.455 0.106   -11.731 1.00 25.61 ? 322 HOH B O   1 
HETATM 1626 O O   . HOH G 6 .   ? -36.805 -16.266 -39.357 1.00 29.35 ? 323 HOH B O   1 
HETATM 1627 O O   . HOH G 6 .   ? -36.609 -23.012 -30.652 1.00 37.03 ? 324 HOH B O   1 
HETATM 1628 O O   . HOH G 6 .   ? -45.092 -12.346 -26.504 1.00 31.70 ? 325 HOH B O   1 
HETATM 1629 O O   . HOH G 6 .   ? -19.386 -29.741 -15.623 1.00 31.94 ? 326 HOH B O   1 
HETATM 1630 O O   . HOH G 6 .   ? -17.589 -21.308 -12.381 1.00 20.27 ? 327 HOH B O   1 
HETATM 1631 O O   . HOH G 6 .   ? -47.124 1.309   -25.500 1.00 34.95 ? 328 HOH B O   1 
HETATM 1632 O O   . HOH G 6 .   ? -10.892 -21.079 -24.991 1.00 34.03 ? 329 HOH B O   1 
HETATM 1633 O O   . HOH G 6 .   ? -9.448  -18.413 -30.308 1.00 48.63 ? 330 HOH B O   1 
HETATM 1634 O O   . HOH G 6 .   ? -36.709 -25.961 -23.717 1.00 37.08 ? 331 HOH B O   1 
HETATM 1635 O O   . HOH G 6 .   ? -30.768 -6.684  -11.236 1.00 16.63 ? 332 HOH B O   1 
HETATM 1636 O O   . HOH G 6 .   ? -42.999 -15.415 -10.118 1.00 26.03 ? 333 HOH B O   1 
HETATM 1637 O O   . HOH G 6 .   ? -16.157 -19.552 -15.664 1.00 26.05 ? 334 HOH B O   1 
HETATM 1638 O O   . HOH G 6 .   ? -40.958 -9.532  -36.734 1.00 30.66 ? 335 HOH B O   1 
HETATM 1639 O O   . HOH G 6 .   ? -49.745 -1.826  -19.353 1.00 30.37 ? 336 HOH B O   1 
HETATM 1640 O O   . HOH G 6 .   ? -30.683 1.180   -16.945 1.00 29.34 ? 337 HOH B O   1 
HETATM 1641 O O   . HOH G 6 .   ? -38.496 -7.614  -10.692 1.00 17.60 ? 338 HOH B O   1 
HETATM 1642 O O   . HOH G 6 .   ? -19.855 1.933   -30.520 1.00 31.92 ? 339 HOH B O   1 
HETATM 1643 O O   . HOH G 6 .   ? -32.781 -18.277 -37.181 1.00 34.02 ? 340 HOH B O   1 
HETATM 1644 O O   . HOH G 6 .   ? -23.887 1.135   -10.686 1.00 35.99 ? 341 HOH B O   1 
HETATM 1645 O O   . HOH G 6 .   ? -30.796 -20.333 -21.300 1.00 13.71 ? 342 HOH B O   1 
HETATM 1646 O O   . HOH G 6 .   ? -16.644 -5.628  -9.379  1.00 34.41 ? 343 HOH B O   1 
HETATM 1647 O O   . HOH G 6 .   ? -26.485 1.980   -10.981 1.00 30.26 ? 344 HOH B O   1 
HETATM 1648 O O   . HOH G 6 .   ? -13.572 -20.964 -35.247 1.00 33.10 ? 345 HOH B O   1 
HETATM 1649 O O   . HOH G 6 .   ? -12.766 -21.316 -18.645 1.00 32.31 ? 346 HOH B O   1 
HETATM 1650 O O   . HOH G 6 .   ? -25.853 -22.642 -35.719 1.00 30.79 ? 347 HOH B O   1 
HETATM 1651 O O   . HOH G 6 .   ? -38.372 3.835   -42.039 1.00 30.35 ? 348 HOH B O   1 
HETATM 1652 O O   . HOH G 6 .   ? -17.490 -27.637 -19.613 1.00 21.15 ? 349 HOH B O   1 
HETATM 1653 O O   . HOH G 6 .   ? -9.458  -20.725 -28.834 1.00 41.49 ? 350 HOH B O   1 
HETATM 1654 O O   . HOH G 6 .   ? -24.609 -30.905 -22.000 1.00 39.02 ? 351 HOH B O   1 
HETATM 1655 O O   . HOH G 6 .   ? -40.693 -14.460 -8.345  1.00 30.12 ? 352 HOH B O   1 
HETATM 1656 O O   . HOH G 6 .   ? -41.920 1.488   -22.504 1.00 34.11 ? 353 HOH B O   1 
HETATM 1657 O O   . HOH G 6 .   ? -38.778 -2.457  -21.309 1.00 16.88 ? 354 HOH B O   1 
HETATM 1658 O O   . HOH G 6 .   ? -18.439 -4.569  -24.641 1.00 18.93 ? 355 HOH B O   1 
HETATM 1659 O O   . HOH G 6 .   ? -23.218 4.350   -24.577 1.00 25.74 ? 356 HOH B O   1 
HETATM 1660 O O   . HOH G 6 .   ? -17.859 -19.845 -37.473 1.00 29.83 ? 357 HOH B O   1 
HETATM 1661 O O   . HOH G 6 .   ? -19.377 -4.271  -21.995 1.00 17.64 ? 358 HOH B O   1 
HETATM 1662 O O   . HOH G 6 .   ? -10.349 -23.455 -21.838 1.00 34.56 ? 359 HOH B O   1 
HETATM 1663 O O   . HOH G 6 .   ? -26.532 -25.720 -16.376 1.00 20.27 ? 360 HOH B O   1 
HETATM 1664 O O   . HOH G 6 .   ? -27.749 -27.412 -25.795 1.00 32.05 ? 361 HOH B O   1 
HETATM 1665 O O   . HOH G 6 .   ? -36.195 -1.769  -33.754 1.00 22.07 ? 362 HOH B O   1 
HETATM 1666 O O   . HOH G 6 .   ? -34.094 -21.983 -31.327 1.00 20.94 ? 363 HOH B O   1 
HETATM 1667 O O   . HOH G 6 .   ? -23.225 2.278   -22.958 1.00 28.86 ? 364 HOH B O   1 
HETATM 1668 O O   . HOH G 6 .   ? -19.338 -26.040 -31.717 1.00 21.03 ? 365 HOH B O   1 
HETATM 1669 O O   . HOH G 6 .   ? -30.242 -23.978 -33.862 1.00 27.22 ? 366 HOH B O   1 
HETATM 1670 O O   . HOH G 6 .   ? -41.314 -7.896  -3.374  1.00 46.04 ? 367 HOH B O   1 
HETATM 1671 O O   . HOH G 6 .   ? -43.833 -0.664  -24.284 1.00 33.91 ? 368 HOH B O   1 
HETATM 1672 O O   . HOH G 6 .   ? -26.696 -17.582 -7.741  1.00 18.21 ? 369 HOH B O   1 
HETATM 1673 O O   . HOH G 6 .   ? -41.047 -5.971  -37.931 1.00 31.33 ? 370 HOH B O   1 
HETATM 1674 O O   . HOH G 6 .   ? -45.592 -14.790 -27.507 1.00 40.78 ? 371 HOH B O   1 
HETATM 1675 O O   . HOH G 6 .   ? -20.888 -16.298 -5.465  1.00 19.21 ? 372 HOH B O   1 
HETATM 1676 O O   . HOH G 6 .   ? -42.149 -3.945  -39.310 1.00 24.44 ? 373 HOH B O   1 
HETATM 1677 O O   . HOH G 6 .   ? -35.501 -4.608  -42.091 1.00 24.53 ? 374 HOH B O   1 
HETATM 1678 O O   . HOH G 6 .   ? -17.800 -4.375  -5.947  1.00 40.07 ? 375 HOH B O   1 
HETATM 1679 O O   . HOH G 6 .   ? -38.511 4.029   -13.674 1.00 37.55 ? 376 HOH B O   1 
HETATM 1680 O O   . HOH G 6 .   ? -40.215 -14.312 -31.320 1.00 15.65 ? 377 HOH B O   1 
HETATM 1681 O O   . HOH G 6 .   ? -25.271 -14.314 -3.424  1.00 34.66 ? 378 HOH B O   1 
HETATM 1682 O O   . HOH G 6 .   ? -36.503 -0.972  -22.027 1.00 15.08 ? 379 HOH B O   1 
HETATM 1683 O O   . HOH G 6 .   ? -36.988 0.868   -15.492 1.00 18.14 ? 380 HOH B O   1 
HETATM 1684 O O   . HOH G 6 .   ? -33.970 -21.841 -36.448 1.00 43.30 ? 381 HOH B O   1 
HETATM 1685 O O   . HOH G 6 .   ? -32.272 -4.978  -12.830 1.00 15.70 ? 382 HOH B O   1 
HETATM 1686 O O   . HOH G 6 .   ? -23.891 -12.385 -6.540  1.00 21.25 ? 383 HOH B O   1 
HETATM 1687 O O   . HOH G 6 .   ? -42.517 -5.829  -12.206 1.00 23.83 ? 384 HOH B O   1 
HETATM 1688 O O   . HOH G 6 .   ? -35.755 -3.732  -9.925  1.00 49.47 ? 385 HOH B O   1 
HETATM 1689 O O   . HOH G 6 .   ? -20.576 -27.430 -29.799 1.00 18.65 ? 386 HOH B O   1 
HETATM 1690 O O   . HOH G 6 .   ? -14.464 -16.539 -33.051 1.00 30.88 ? 387 HOH B O   1 
HETATM 1691 O O   . HOH G 6 .   ? -45.887 -4.264  -33.828 1.00 23.40 ? 388 HOH B O   1 
HETATM 1692 O O   . HOH G 6 .   ? -14.977 -19.697 -37.531 1.00 27.81 ? 389 HOH B O   1 
HETATM 1693 O O   . HOH G 6 .   ? -33.352 -14.874 -6.933  1.00 24.44 ? 390 HOH B O   1 
HETATM 1694 O O   . HOH G 6 .   ? -33.406 -1.855  -38.364 1.00 27.78 ? 391 HOH B O   1 
HETATM 1695 O O   . HOH G 6 .   ? -45.743 -19.603 -31.442 1.00 28.95 ? 392 HOH B O   1 
HETATM 1696 O O   . HOH G 6 .   ? -44.996 -7.811  -38.906 1.00 19.38 ? 393 HOH B O   1 
HETATM 1697 O O   . HOH G 6 .   ? -25.724 -26.948 -23.832 1.00 18.20 ? 394 HOH B O   1 
HETATM 1698 O O   . HOH G 6 .   ? -31.497 3.457   -26.801 1.00 25.80 ? 395 HOH B O   1 
HETATM 1699 O O   . HOH G 6 .   ? -41.047 -8.798  -19.304 1.00 16.34 ? 396 HOH B O   1 
HETATM 1700 O O   . HOH G 6 .   ? -41.357 -8.493  -13.282 1.00 21.58 ? 397 HOH B O   1 
HETATM 1701 O O   . HOH G 6 .   ? -25.294 -10.443 -23.509 1.00 14.46 ? 398 HOH B O   1 
HETATM 1702 O O   . HOH G 6 .   ? -18.271 -17.258 -36.199 1.00 27.23 ? 399 HOH B O   1 
HETATM 1703 O O   . HOH G 6 .   ? -23.706 -20.979 -38.875 1.00 23.75 ? 400 HOH B O   1 
HETATM 1704 O O   . HOH G 6 .   ? -9.364  -15.915 -26.535 1.00 30.87 ? 401 HOH B O   1 
HETATM 1705 O O   . HOH G 6 .   ? -24.782 -15.011 -6.761  1.00 18.44 ? 402 HOH B O   1 
HETATM 1706 O O   . HOH G 6 .   ? -15.988 -14.681 -8.644  1.00 37.32 ? 403 HOH B O   1 
HETATM 1707 O O   . HOH G 6 .   ? -52.424 -14.371 -28.813 1.00 43.31 ? 404 HOH B O   1 
HETATM 1708 O O   . HOH G 6 .   ? -40.740 6.372   -33.096 1.00 32.43 ? 405 HOH B O   1 
HETATM 1709 O O   . HOH G 6 .   ? -17.906 -16.013 -6.136  1.00 25.14 ? 406 HOH B O   1 
HETATM 1710 O O   . HOH G 6 .   ? -36.420 -0.099  -42.110 1.00 39.51 ? 407 HOH B O   1 
HETATM 1711 O O   . HOH G 6 .   ? -34.768 -9.217  -5.943  1.00 46.62 ? 408 HOH B O   1 
HETATM 1712 O O   . HOH G 6 .   ? -13.172 -6.273  -29.148 1.00 38.67 ? 409 HOH B O   1 
HETATM 1713 O O   . HOH G 6 .   ? -17.853 -11.057 -35.493 1.00 28.67 ? 410 HOH B O   1 
HETATM 1714 O O   . HOH G 6 .   ? -28.778 7.884   -29.931 1.00 34.62 ? 411 HOH B O   1 
HETATM 1715 O O   . HOH G 6 .   ? -12.709 -18.418 -34.814 1.00 40.23 ? 412 HOH B O   1 
HETATM 1716 O O   . HOH G 6 .   ? -41.274 5.391   -28.353 1.00 31.75 ? 413 HOH B O   1 
HETATM 1717 O O   . HOH G 6 .   ? -42.347 -4.984  -43.640 1.00 24.76 ? 414 HOH B O   1 
HETATM 1718 O O   . HOH G 6 .   ? -15.841 -12.103 -5.589  1.00 45.50 ? 415 HOH B O   1 
HETATM 1719 O O   . HOH G 6 .   ? -18.932 -29.060 -23.365 1.00 32.04 ? 416 HOH B O   1 
HETATM 1720 O O   . HOH G 6 .   ? -31.042 4.084   -24.301 1.00 24.94 ? 417 HOH B O   1 
HETATM 1721 O O   . HOH G 6 .   ? -40.306 -7.418  -34.727 1.00 22.79 ? 418 HOH B O   1 
HETATM 1722 O O   . HOH G 6 .   ? -34.227 -7.187  -7.786  1.00 35.38 ? 419 HOH B O   1 
HETATM 1723 O O   . HOH G 6 .   ? -25.178 7.036   -28.915 1.00 31.88 ? 420 HOH B O   1 
HETATM 1724 O O   . HOH G 6 .   ? -43.304 3.777   -18.721 1.00 22.69 ? 421 HOH B O   1 
HETATM 1725 O O   . HOH G 6 .   ? -30.742 -17.322 -42.584 1.00 39.25 ? 422 HOH B O   1 
HETATM 1726 O O   . HOH G 6 .   ? -24.572 -11.131 -4.168  1.00 26.03 ? 423 HOH B O   1 
HETATM 1727 O O   . HOH G 6 .   ? -15.950 -7.310  -11.276 1.00 36.75 ? 424 HOH B O   1 
HETATM 1728 O O   . HOH G 6 .   ? -19.871 2.334   -23.878 1.00 36.99 ? 425 HOH B O   1 
HETATM 1729 O O   . HOH G 6 .   ? -24.273 -4.405  -36.958 1.00 38.81 ? 426 HOH B O   1 
HETATM 1730 O O   . HOH G 6 .   ? -47.695 0.000   -32.704 0.50 25.12 ? 427 HOH B O   1 
HETATM 1731 O O   . HOH G 6 .   ? -32.716 -23.581 -33.220 1.00 34.63 ? 428 HOH B O   1 
HETATM 1732 O O   . HOH G 6 .   ? -36.633 -6.596  -8.829  1.00 31.58 ? 429 HOH B O   1 
HETATM 1733 O O   . HOH G 6 .   ? -21.678 6.919   -32.198 1.00 33.76 ? 430 HOH B O   1 
HETATM 1734 O O   . HOH G 6 .   ? -8.417  -23.004 -30.187 1.00 32.72 ? 431 HOH B O   1 
HETATM 1735 O O   . HOH G 6 .   ? -26.195 -28.203 -21.509 1.00 38.35 ? 432 HOH B O   1 
HETATM 1736 O O   . HOH G 6 .   ? -40.194 5.160   -21.996 1.00 35.84 ? 433 HOH B O   1 
HETATM 1737 O O   . HOH G 6 .   ? -22.796 3.410   -20.540 1.00 41.05 ? 434 HOH B O   1 
HETATM 1738 O O   . HOH G 6 .   ? -38.725 -16.508 -40.783 1.00 38.98 ? 435 HOH B O   1 
HETATM 1739 O O   . HOH G 6 .   ? -36.629 2.241   -43.184 1.00 42.48 ? 436 HOH B O   1 
HETATM 1740 O O   . HOH G 6 .   ? -15.870 -22.277 -14.555 1.00 28.47 ? 437 HOH B O   1 
HETATM 1741 O O   . HOH G 6 .   ? -42.121 -12.933 -22.381 1.00 33.52 ? 438 HOH B O   1 
HETATM 1742 O O   . HOH G 6 .   ? -15.908 -26.952 -17.264 1.00 40.95 ? 439 HOH B O   1 
HETATM 1743 O O   . HOH G 6 .   ? -28.350 -27.742 -16.832 1.00 25.43 ? 440 HOH B O   1 
HETATM 1744 O O   . HOH G 6 .   ? -26.323 -31.239 -23.983 1.00 29.15 ? 441 HOH B O   1 
# 
