data_7HMD
# 
_entry.id   7HMD 
# 
_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   7HMD         pdb_00007hmd 10.2210/pdb7hmd/pdb 
WWPDB D_1001407655 ?            ?                   
# 
_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                        7HMD 
_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    3   ?        ? ? ? 
3 non-polymer syn '1-(2-ethoxyphenyl)piperazine'       206.284   1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                        96.063    1   ?        ? ? ? 
5 water       nat water                                18.015    151 ?        ? ? ? 
# 
_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 '1-(2-ethoxyphenyl)piperazine' H04 
4 'SULFATE ION'                  SO4 
5 water                          HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
ALA 'L-peptide linking' y ALANINE                        ?                 'C3 H7 N O2'     89.093  
ARG 'L-peptide linking' y ARGININE                       ?                 'C6 H15 N4 O2 1' 175.209 
ASN 'L-peptide linking' y ASPARAGINE                     ?                 'C4 H8 N2 O3'    132.118 
ASP 'L-peptide linking' y 'ASPARTIC ACID'                ?                 'C4 H7 N O4'     133.103 
CYS 'L-peptide linking' y CYSTEINE                       ?                 'C3 H7 N O2 S'   121.158 
EDO non-polymer         . 1,2-ETHANEDIOL                 'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN 'L-peptide linking' y GLUTAMINE                      ?                 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                ?                 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                        ?                 'C2 H5 N O2'     75.067  
H04 non-polymer         . '1-(2-ethoxyphenyl)piperazine' ?                 'C12 H18 N2 O'   206.284 
HIS 'L-peptide linking' y HISTIDINE                      ?                 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                          ?                 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                     ?                 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                        ?                 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                         ?                 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                     ?                 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                  ?                 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                        ?                 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                         ?                 'C3 H7 N O3'     105.093 
SO4 non-polymer         . 'SULFATE ION'                  ?                 'O4 S -2'        96.063  
THR 'L-peptide linking' y THREONINE                      ?                 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                     ?                 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                       ?                 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                         ?                 'C5 H11 N O2'    117.146 
# 
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        H04 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   H04 
_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 H04 1   202 302 H04 LIG B . 
D 2 EDO 1   203 303 EDO EDO B . 
E 2 EDO 1   204 305 EDO EDO B . 
F 4 SO4 1   205 1   SO4 SO4 B . 
G 5 HOH 1   301 75  HOH HOH B . 
G 5 HOH 2   302 4   HOH HOH B . 
G 5 HOH 3   303 12  HOH HOH B . 
G 5 HOH 4   304 29  HOH HOH B . 
G 5 HOH 5   305 1   HOH HOH B . 
G 5 HOH 6   306 11  HOH HOH B . 
G 5 HOH 7   307 51  HOH HOH B . 
G 5 HOH 8   308 16  HOH HOH B . 
G 5 HOH 9   309 2   HOH HOH B . 
G 5 HOH 10  310 27  HOH HOH B . 
G 5 HOH 11  311 90  HOH HOH B . 
G 5 HOH 12  312 33  HOH HOH B . 
G 5 HOH 13  313 31  HOH HOH B . 
G 5 HOH 14  314 40  HOH HOH B . 
G 5 HOH 15  315 21  HOH HOH B . 
G 5 HOH 16  316 26  HOH HOH B . 
G 5 HOH 17  317 34  HOH HOH B . 
G 5 HOH 18  318 102 HOH HOH B . 
G 5 HOH 19  319 63  HOH HOH B . 
G 5 HOH 20  320 25  HOH HOH B . 
G 5 HOH 21  321 81  HOH HOH B . 
G 5 HOH 22  322 11  HOH HOH B . 
G 5 HOH 23  323 72  HOH HOH B . 
G 5 HOH 24  324 5   HOH HOH B . 
G 5 HOH 25  325 2   HOH HOH B . 
G 5 HOH 26  326 214 HOH HOH B . 
G 5 HOH 27  327 95  HOH HOH B . 
G 5 HOH 28  328 68  HOH HOH B . 
G 5 HOH 29  329 184 HOH HOH B . 
G 5 HOH 30  330 34  HOH HOH B . 
G 5 HOH 31  331 16  HOH HOH B . 
G 5 HOH 32  332 62  HOH HOH B . 
G 5 HOH 33  333 28  HOH HOH B . 
G 5 HOH 34  334 80  HOH HOH B . 
G 5 HOH 35  335 86  HOH HOH B . 
G 5 HOH 36  336 99  HOH HOH B . 
G 5 HOH 37  337 129 HOH HOH B . 
G 5 HOH 38  338 89  HOH HOH B . 
G 5 HOH 39  339 157 HOH HOH B . 
G 5 HOH 40  340 39  HOH HOH B . 
G 5 HOH 41  341 7   HOH HOH B . 
G 5 HOH 42  342 10  HOH HOH B . 
G 5 HOH 43  343 36  HOH HOH B . 
G 5 HOH 44  344 126 HOH HOH B . 
G 5 HOH 45  345 267 HOH HOH B . 
G 5 HOH 46  346 85  HOH HOH B . 
G 5 HOH 47  347 43  HOH HOH B . 
G 5 HOH 48  348 20  HOH HOH B . 
G 5 HOH 49  349 35  HOH HOH B . 
G 5 HOH 50  350 211 HOH HOH B . 
G 5 HOH 51  351 18  HOH HOH B . 
G 5 HOH 52  352 27  HOH HOH B . 
G 5 HOH 53  353 116 HOH HOH B . 
G 5 HOH 54  354 76  HOH HOH B . 
G 5 HOH 55  355 58  HOH HOH B . 
G 5 HOH 56  356 281 HOH HOH B . 
G 5 HOH 57  357 73  HOH HOH B . 
G 5 HOH 58  358 26  HOH HOH B . 
G 5 HOH 59  359 47  HOH HOH B . 
G 5 HOH 60  360 55  HOH HOH B . 
G 5 HOH 61  361 15  HOH HOH B . 
G 5 HOH 62  362 22  HOH HOH B . 
G 5 HOH 63  363 264 HOH HOH B . 
G 5 HOH 64  364 50  HOH HOH B . 
G 5 HOH 65  365 82  HOH HOH B . 
G 5 HOH 66  366 19  HOH HOH B . 
G 5 HOH 67  367 29  HOH HOH B . 
G 5 HOH 68  368 10  HOH HOH B . 
G 5 HOH 69  369 6   HOH HOH B . 
G 5 HOH 70  370 70  HOH HOH B . 
G 5 HOH 71  371 66  HOH HOH B . 
G 5 HOH 72  372 13  HOH HOH B . 
G 5 HOH 73  373 8   HOH HOH B . 
G 5 HOH 74  374 71  HOH HOH B . 
G 5 HOH 75  375 4   HOH HOH B . 
G 5 HOH 76  376 304 HOH HOH B . 
G 5 HOH 77  377 60  HOH HOH B . 
G 5 HOH 78  378 1   HOH HOH B . 
G 5 HOH 79  379 100 HOH HOH B . 
G 5 HOH 80  380 61  HOH HOH B . 
G 5 HOH 81  381 172 HOH HOH B . 
G 5 HOH 82  382 59  HOH HOH B . 
G 5 HOH 83  383 197 HOH HOH B . 
G 5 HOH 84  384 125 HOH HOH B . 
G 5 HOH 85  385 303 HOH HOH B . 
G 5 HOH 86  386 37  HOH HOH B . 
G 5 HOH 87  387 9   HOH HOH B . 
G 5 HOH 88  388 32  HOH HOH B . 
G 5 HOH 89  389 24  HOH HOH B . 
G 5 HOH 90  390 154 HOH HOH B . 
G 5 HOH 91  391 3   HOH HOH B . 
G 5 HOH 92  392 3   HOH HOH B . 
G 5 HOH 93  393 156 HOH HOH B . 
G 5 HOH 94  394 25  HOH HOH B . 
G 5 HOH 95  395 45  HOH HOH B . 
G 5 HOH 96  396 33  HOH HOH B . 
G 5 HOH 97  397 9   HOH HOH B . 
G 5 HOH 98  398 32  HOH HOH B . 
G 5 HOH 99  399 97  HOH HOH B . 
G 5 HOH 100 400 56  HOH HOH B . 
G 5 HOH 101 401 12  HOH HOH B . 
G 5 HOH 102 402 8   HOH HOH B . 
G 5 HOH 103 403 64  HOH HOH B . 
G 5 HOH 104 404 14  HOH HOH B . 
G 5 HOH 105 405 30  HOH HOH B . 
G 5 HOH 106 406 49  HOH HOH B . 
G 5 HOH 107 407 23  HOH HOH B . 
G 5 HOH 108 408 93  HOH HOH B . 
G 5 HOH 109 409 48  HOH HOH B . 
G 5 HOH 110 410 18  HOH HOH B . 
G 5 HOH 111 411 42  HOH HOH B . 
G 5 HOH 112 412 20  HOH HOH B . 
G 5 HOH 113 413 38  HOH HOH B . 
G 5 HOH 114 414 5   HOH HOH B . 
G 5 HOH 115 415 112 HOH HOH B . 
G 5 HOH 116 416 7   HOH HOH B . 
G 5 HOH 117 417 44  HOH HOH B . 
G 5 HOH 118 418 140 HOH HOH B . 
G 5 HOH 119 419 22  HOH HOH B . 
G 5 HOH 120 420 15  HOH HOH B . 
G 5 HOH 121 421 120 HOH HOH B . 
G 5 HOH 122 422 53  HOH HOH B . 
G 5 HOH 123 423 69  HOH HOH B . 
G 5 HOH 124 424 57  HOH HOH B . 
G 5 HOH 125 425 257 HOH HOH B . 
G 5 HOH 126 426 54  HOH HOH B . 
G 5 HOH 127 427 17  HOH HOH B . 
G 5 HOH 128 428 41  HOH HOH B . 
G 5 HOH 129 429 19  HOH HOH B . 
G 5 HOH 130 430 115 HOH HOH B . 
G 5 HOH 131 431 30  HOH HOH B . 
G 5 HOH 132 432 263 HOH HOH B . 
G 5 HOH 133 433 103 HOH HOH B . 
G 5 HOH 134 434 114 HOH HOH B . 
G 5 HOH 135 435 36  HOH HOH B . 
G 5 HOH 136 436 266 HOH HOH B . 
G 5 HOH 137 437 107 HOH HOH B . 
G 5 HOH 138 438 133 HOH HOH B . 
G 5 HOH 139 439 23  HOH HOH B . 
G 5 HOH 140 440 21  HOH HOH B . 
G 5 HOH 141 441 98  HOH HOH B . 
G 5 HOH 142 442 13  HOH HOH B . 
G 5 HOH 143 443 31  HOH HOH B . 
G 5 HOH 144 444 104 HOH HOH B . 
G 5 HOH 145 445 166 HOH HOH B . 
G 5 HOH 146 446 127 HOH HOH B . 
G 5 HOH 147 447 14  HOH HOH B . 
G 5 HOH 148 448 131 HOH HOH B . 
G 5 HOH 149 449 270 HOH HOH B . 
G 5 HOH 150 450 205 HOH HOH B . 
G 5 HOH 151 451 259 HOH HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HMD 
_cell.length_a           95.768 
_cell.length_b           95.768 
_cell.length_c           45.513 
_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                         7HMD 
_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          7HMD 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.42 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.09 
_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   2024-05-23 
_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                     7HMD 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             33.850 
_reflns.d_resolution_high            1.290 
_reflns.number_obs                   51602 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         99.200 
_reflns.pdbx_Rmerge_I_obs            0.068 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        18.900 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.000 
_reflns.pdbx_Rrim_I_all              0.071 
_reflns.pdbx_Rpim_I_all              0.020 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     567584 
_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 1.290 1.310  ? 8327 2282 ? 0.982 ? ? ? 3.600  ? 0.800  ? ? ? ? ? ? 89.000 1.167 0.610 0.404 
1 2 7.070 33.850 ? 4187 344  ? 0.051 ? ? ? 12.200 ? 93.300 ? ? ? ? ? ? 99.300 0.054 0.016 0.990 
# 
_refine.entry_id                                 7HMD 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.2900 
_refine.ls_d_res_low                             33.8800 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.1800 
_refine.ls_number_reflns_obs                     49087 
_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                          0.1726 
_refine.ls_R_factor_R_work                       0.1717 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1907 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2510 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               15.8390 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0500 
_refine.aniso_B[2][2]                            0.0500 
_refine.aniso_B[3][3]                            -0.1000 
_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                       0.0500 
_refine.pdbx_overall_ESU_R_Free                  0.0510 
_refine.overall_SU_ML                            0.0390 
_refine.overall_SU_B                             0.9790 
_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                                93.980 
_refine.B_iso_min                                8.230 
_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                       1.2900 
_refine_hist.d_res_low                        33.8800 
_refine_hist.pdbx_number_atoms_ligand         32 
_refine_hist.number_atoms_solvent             151 
_refine_hist.number_atoms_total               1676 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           25.11 
_refine_hist.pdbx_B_iso_mean_solvent          26.89 
_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       2156 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1695 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2639 1.869  1.642  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3909 1.447  1.578  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 247  7.258  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 113  28.908 21.416 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 294  11.094 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   24.051 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         226  0.092  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2353 0.012  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     521  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            1012 1.451  1.404  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         1005 1.443  1.394  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1183 2.339  2.110  ? ? 
# 
_refine_ls_shell.d_res_high                       1.2900 
_refine_ls_shell.d_res_low                        1.3240 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               90.9200 
_refine_ls_shell.number_reflns_R_work             3289 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3240 
_refine_ls_shell.R_factor_R_free                  0.3140 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             215 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                3504 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HMD 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z425387594' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HMD 
_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 2 ? 
E N N 2 ? 
F N N 4 ? 
G N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HMD 
_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 7HMD MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HMD HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HMD HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HMD HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HMD HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HMD HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HMD HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HMD 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       -0.18 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA2 4 5 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HMD 
_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_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   OE2 
_pdbx_validate_close_contact.auth_asym_id_1   B 
_pdbx_validate_close_contact.auth_comp_id_1   GLU 
_pdbx_validate_close_contact.auth_seq_id_1    116 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   B 
_pdbx_validate_close_contact.auth_atom_id_2   O 
_pdbx_validate_close_contact.auth_asym_id_2   B 
_pdbx_validate_close_contact.auth_comp_id_2   HOH 
_pdbx_validate_close_contact.auth_seq_id_2    301 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             1.57 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 NE B ARG 38 ? ? CZ B ARG 38 ? ? NH2 B ARG 38 ? ? 116.92 120.30 -3.38 0.50 N 
2 1 CG B ARG 64 ? ? CD B ARG 64 ? ? NE  B ARG 64 ? ? 125.72 111.80 13.92 2.10 N 
3 1 NE B ARG 64 ? ? CZ B ARG 64 ? ? NH1 B ARG 64 ? ? 117.25 120.30 -3.05 0.50 N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 71.17   34.81  
2 1 SER B 67  ? B 179.26  156.10 
3 1 ASP B 152 ? ? -105.66 53.29  
# 
_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     434 
_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  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
H04 N1   N N N 147 
H04 C4   C Y N 148 
H04 C5   C Y N 149 
H04 C6   C Y N 150 
H04 C7   C Y N 151 
H04 C8   C Y N 152 
H04 C10  C N N 153 
H04 C1   C N N 154 
H04 C2   C N N 155 
H04 O1   O N N 156 
H04 C3   C Y N 157 
H04 C9   C N N 158 
H04 N2   N N N 159 
H04 C11  C N N 160 
H04 C12  C N N 161 
H04 H1   H N N 162 
H04 H2   H N N 163 
H04 H3   H N N 164 
H04 H4   H N N 165 
H04 H5   H N N 166 
H04 H6   H N N 167 
H04 H7   H N N 168 
H04 H8   H N N 169 
H04 H9   H N N 170 
H04 H10  H N N 171 
H04 H11  H N N 172 
H04 H12  H N N 173 
H04 H13  H N N 174 
H04 H14  H N N 175 
H04 H16  H N N 176 
H04 H17  H N N 177 
H04 H18  H N N 178 
H04 H19  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 
VAL N    N N N 420 
VAL CA   C N S 421 
VAL C    C N N 422 
VAL O    O N N 423 
VAL CB   C N N 424 
VAL CG1  C N N 425 
VAL CG2  C N N 426 
VAL OXT  O N N 427 
VAL H    H N N 428 
VAL H2   H N N 429 
VAL HA   H N N 430 
VAL HB   H N N 431 
VAL HG11 H N N 432 
VAL HG12 H N N 433 
VAL HG13 H N N 434 
VAL HG21 H N N 435 
VAL HG22 H N N 436 
VAL HG23 H N N 437 
VAL HXT  H N N 438 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
H04 C5  C4   doub Y N 138 
H04 C5  C6   sing Y N 139 
H04 C4  C3   sing Y N 140 
H04 C2  C1   sing N N 141 
H04 C2  O1   sing N N 142 
H04 C6  C7   doub Y N 143 
H04 C3  O1   sing N N 144 
H04 C3  C8   doub Y N 145 
H04 C7  C8   sing Y N 146 
H04 C8  N1   sing N N 147 
H04 N1  C12  sing N N 148 
H04 N1  C9   sing N N 149 
H04 C12 C11  sing N N 150 
H04 C9  C10  sing N N 151 
H04 C11 N2   sing N N 152 
H04 C10 N2   sing N N 153 
H04 C4  H1   sing N N 154 
H04 C5  H2   sing N N 155 
H04 C6  H3   sing N N 156 
H04 C7  H4   sing N N 157 
H04 C10 H5   sing N N 158 
H04 C10 H6   sing N N 159 
H04 C1  H7   sing N N 160 
H04 C1  H8   sing N N 161 
H04 C1  H9   sing N N 162 
H04 C2  H10  sing N N 163 
H04 C2  H11  sing N N 164 
H04 C9  H12  sing N N 165 
H04 C9  H13  sing N N 166 
H04 N2  H14  sing N N 167 
H04 C11 H16  sing N N 168 
H04 C11 H17  sing N N 169 
H04 C12 H18  sing N N 170 
H04 C12 H19  sing N N 171 
HIS N   CA   sing N N 172 
HIS N   H    sing N N 173 
HIS N   H2   sing N N 174 
HIS CA  C    sing N N 175 
HIS CA  CB   sing N N 176 
HIS CA  HA   sing N N 177 
HIS C   O    doub N N 178 
HIS C   OXT  sing N N 179 
HIS CB  CG   sing N N 180 
HIS CB  HB2  sing N N 181 
HIS CB  HB3  sing N N 182 
HIS CG  ND1  sing Y N 183 
HIS CG  CD2  doub Y N 184 
HIS ND1 CE1  doub Y N 185 
HIS ND1 HD1  sing N N 186 
HIS CD2 NE2  sing Y N 187 
HIS CD2 HD2  sing N N 188 
HIS CE1 NE2  sing Y N 189 
HIS CE1 HE1  sing N N 190 
HIS NE2 HE2  sing N N 191 
HIS OXT HXT  sing N N 192 
HOH O   H1   sing N N 193 
HOH O   H2   sing N N 194 
ILE N   CA   sing N N 195 
ILE N   H    sing N N 196 
ILE N   H2   sing N N 197 
ILE CA  C    sing N N 198 
ILE CA  CB   sing N N 199 
ILE CA  HA   sing N N 200 
ILE C   O    doub N N 201 
ILE C   OXT  sing N N 202 
ILE CB  CG1  sing N N 203 
ILE CB  CG2  sing N N 204 
ILE CB  HB   sing N N 205 
ILE CG1 CD1  sing N N 206 
ILE CG1 HG12 sing N N 207 
ILE CG1 HG13 sing N N 208 
ILE CG2 HG21 sing N N 209 
ILE CG2 HG22 sing N N 210 
ILE CG2 HG23 sing N N 211 
ILE CD1 HD11 sing N N 212 
ILE CD1 HD12 sing N N 213 
ILE CD1 HD13 sing N N 214 
ILE OXT HXT  sing N N 215 
LEU N   CA   sing N N 216 
LEU N   H    sing N N 217 
LEU N   H2   sing N N 218 
LEU CA  C    sing N N 219 
LEU CA  CB   sing N N 220 
LEU CA  HA   sing N N 221 
LEU C   O    doub N N 222 
LEU C   OXT  sing N N 223 
LEU CB  CG   sing N N 224 
LEU CB  HB2  sing N N 225 
LEU CB  HB3  sing N N 226 
LEU CG  CD1  sing N N 227 
LEU CG  CD2  sing N N 228 
LEU CG  HG   sing N N 229 
LEU CD1 HD11 sing N N 230 
LEU CD1 HD12 sing N N 231 
LEU CD1 HD13 sing N N 232 
LEU CD2 HD21 sing N N 233 
LEU CD2 HD22 sing N N 234 
LEU CD2 HD23 sing N N 235 
LEU OXT HXT  sing N N 236 
LYS N   CA   sing N N 237 
LYS N   H    sing N N 238 
LYS N   H2   sing N N 239 
LYS CA  C    sing N N 240 
LYS CA  CB   sing N N 241 
LYS CA  HA   sing N N 242 
LYS C   O    doub N N 243 
LYS C   OXT  sing N N 244 
LYS CB  CG   sing N N 245 
LYS CB  HB2  sing N N 246 
LYS CB  HB3  sing N N 247 
LYS CG  CD   sing N N 248 
LYS CG  HG2  sing N N 249 
LYS CG  HG3  sing N N 250 
LYS CD  CE   sing N N 251 
LYS CD  HD2  sing N N 252 
LYS CD  HD3  sing N N 253 
LYS CE  NZ   sing N N 254 
LYS CE  HE2  sing N N 255 
LYS CE  HE3  sing N N 256 
LYS NZ  HZ1  sing N N 257 
LYS NZ  HZ2  sing N N 258 
LYS NZ  HZ3  sing N N 259 
LYS OXT HXT  sing N N 260 
MET N   CA   sing N N 261 
MET N   H    sing N N 262 
MET N   H2   sing N N 263 
MET CA  C    sing N N 264 
MET CA  CB   sing N N 265 
MET CA  HA   sing N N 266 
MET C   O    doub N N 267 
MET C   OXT  sing N N 268 
MET CB  CG   sing N N 269 
MET CB  HB2  sing N N 270 
MET CB  HB3  sing N N 271 
MET CG  SD   sing N N 272 
MET CG  HG2  sing N N 273 
MET CG  HG3  sing N N 274 
MET SD  CE   sing N N 275 
MET CE  HE1  sing N N 276 
MET CE  HE2  sing N N 277 
MET CE  HE3  sing N N 278 
MET OXT HXT  sing N N 279 
PHE N   CA   sing N N 280 
PHE N   H    sing N N 281 
PHE N   H2   sing N N 282 
PHE CA  C    sing N N 283 
PHE CA  CB   sing N N 284 
PHE CA  HA   sing N N 285 
PHE C   O    doub N N 286 
PHE C   OXT  sing N N 287 
PHE CB  CG   sing N N 288 
PHE CB  HB2  sing N N 289 
PHE CB  HB3  sing N N 290 
PHE CG  CD1  doub Y N 291 
PHE CG  CD2  sing Y N 292 
PHE CD1 CE1  sing Y N 293 
PHE CD1 HD1  sing N N 294 
PHE CD2 CE2  doub Y N 295 
PHE CD2 HD2  sing N N 296 
PHE CE1 CZ   doub Y N 297 
PHE CE1 HE1  sing N N 298 
PHE CE2 CZ   sing Y N 299 
PHE CE2 HE2  sing N N 300 
PHE CZ  HZ   sing N N 301 
PHE OXT HXT  sing N N 302 
PRO N   CA   sing N N 303 
PRO N   CD   sing N N 304 
PRO N   H    sing N N 305 
PRO CA  C    sing N N 306 
PRO CA  CB   sing N N 307 
PRO CA  HA   sing N N 308 
PRO C   O    doub N N 309 
PRO C   OXT  sing N N 310 
PRO CB  CG   sing N N 311 
PRO CB  HB2  sing N N 312 
PRO CB  HB3  sing N N 313 
PRO CG  CD   sing N N 314 
PRO CG  HG2  sing N N 315 
PRO CG  HG3  sing N N 316 
PRO CD  HD2  sing N N 317 
PRO CD  HD3  sing N N 318 
PRO OXT HXT  sing N N 319 
SER N   CA   sing N N 320 
SER N   H    sing N N 321 
SER N   H2   sing N N 322 
SER CA  C    sing N N 323 
SER CA  CB   sing N N 324 
SER CA  HA   sing N N 325 
SER C   O    doub N N 326 
SER C   OXT  sing N N 327 
SER CB  OG   sing N N 328 
SER CB  HB2  sing N N 329 
SER CB  HB3  sing N N 330 
SER OG  HG   sing N N 331 
SER OXT HXT  sing N N 332 
SO4 S   O1   doub N N 333 
SO4 S   O2   doub N N 334 
SO4 S   O3   sing N N 335 
SO4 S   O4   sing N N 336 
THR N   CA   sing N N 337 
THR N   H    sing N N 338 
THR N   H2   sing N N 339 
THR CA  C    sing N N 340 
THR CA  CB   sing N N 341 
THR CA  HA   sing N N 342 
THR C   O    doub N N 343 
THR C   OXT  sing N N 344 
THR CB  OG1  sing N N 345 
THR CB  CG2  sing N N 346 
THR CB  HB   sing N N 347 
THR OG1 HG1  sing N N 348 
THR CG2 HG21 sing N N 349 
THR CG2 HG22 sing N N 350 
THR CG2 HG23 sing N N 351 
THR OXT HXT  sing N N 352 
TRP N   CA   sing N N 353 
TRP N   H    sing N N 354 
TRP N   H2   sing N N 355 
TRP CA  C    sing N N 356 
TRP CA  CB   sing N N 357 
TRP CA  HA   sing N N 358 
TRP C   O    doub N N 359 
TRP C   OXT  sing N N 360 
TRP CB  CG   sing N N 361 
TRP CB  HB2  sing N N 362 
TRP CB  HB3  sing N N 363 
TRP CG  CD1  doub Y N 364 
TRP CG  CD2  sing Y N 365 
TRP CD1 NE1  sing Y N 366 
TRP CD1 HD1  sing N N 367 
TRP CD2 CE2  doub Y N 368 
TRP CD2 CE3  sing Y N 369 
TRP NE1 CE2  sing Y N 370 
TRP NE1 HE1  sing N N 371 
TRP CE2 CZ2  sing Y N 372 
TRP CE3 CZ3  doub Y N 373 
TRP CE3 HE3  sing N N 374 
TRP CZ2 CH2  doub Y N 375 
TRP CZ2 HZ2  sing N N 376 
TRP CZ3 CH2  sing Y N 377 
TRP CZ3 HZ3  sing N N 378 
TRP CH2 HH2  sing N N 379 
TRP OXT HXT  sing N N 380 
TYR N   CA   sing N N 381 
TYR N   H    sing N N 382 
TYR N   H2   sing N N 383 
TYR CA  C    sing N N 384 
TYR CA  CB   sing N N 385 
TYR CA  HA   sing N N 386 
TYR C   O    doub N N 387 
TYR C   OXT  sing N N 388 
TYR CB  CG   sing N N 389 
TYR CB  HB2  sing N N 390 
TYR CB  HB3  sing N N 391 
TYR CG  CD1  doub Y N 392 
TYR CG  CD2  sing Y N 393 
TYR CD1 CE1  sing Y N 394 
TYR CD1 HD1  sing N N 395 
TYR CD2 CE2  doub Y N 396 
TYR CD2 HD2  sing N N 397 
TYR CE1 CZ   doub Y N 398 
TYR CE1 HE1  sing N N 399 
TYR CE2 CZ   sing Y N 400 
TYR CE2 HE2  sing N N 401 
TYR CZ  OH   sing N N 402 
TYR OH  HH   sing N N 403 
TYR OXT HXT  sing N N 404 
VAL N   CA   sing N N 405 
VAL N   H    sing N N 406 
VAL N   H2   sing N N 407 
VAL CA  C    sing N N 408 
VAL CA  CB   sing N N 409 
VAL CA  HA   sing N N 410 
VAL C   O    doub N N 411 
VAL C   OXT  sing N N 412 
VAL CB  CG1  sing N N 413 
VAL CB  CG2  sing N N 414 
VAL CB  HB   sing N N 415 
VAL CG1 HG11 sing N N 416 
VAL CG1 HG12 sing N N 417 
VAL CG1 HG13 sing N N 418 
VAL CG2 HG21 sing N N 419 
VAL CG2 HG22 sing N N 420 
VAL CG2 HG23 sing N N 421 
VAL OXT HXT  sing N N 422 
# 
_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                    7HMD 
_atom_sites.fract_transf_matrix[1][1]   0.010442 
_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]   0.010442 
_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]   0.021972 
_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   ? -13.206 -13.255 -9.904  1.00 77.32 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.725 -13.762 -11.234 1.00 71.38 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.629 -12.836 -11.777 1.00 71.28 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.578 -11.655 -11.358 1.00 78.23 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.898 -13.918 -12.222 1.00 64.73 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.514 -12.633 -12.685 1.00 60.19 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -14.164 -12.036 -13.886 1.00 58.64 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.468 -11.844 -12.139 1.00 56.07 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.853 -10.923 -14.043 1.00 59.41 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.669 -10.782 -12.990 1.00 55.81 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.798 -13.356 -12.685 1.00 71.47 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.760  -12.600 -13.439 1.00 71.07 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -10.055 -12.683 -14.948 1.00 59.72 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -9.104  -12.934 -15.716 1.00 55.71 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.357  -13.106 -13.039 1.00 80.25 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -7.999  -12.836 -11.609 1.00 90.14 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -8.001  -11.555 -11.067 1.00 90.55 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -7.619  -13.664 -10.609 1.00 93.98 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.644  -11.613 -9.799  1.00 91.32 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -7.402  -12.896 -9.493  1.00 92.92 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.321 -12.458 -15.356 1.00 48.74 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.831 -12.646 -16.750 1.00 38.56 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.840 -11.313 -17.514 1.00 38.34 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.940 -11.345 -18.757 1.00 32.26 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.244 -13.267 -16.761 1.00 36.60 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.331 -14.659 -16.230 1.00 34.71 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.390 -15.649 -16.517 1.00 35.60 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.261 -15.252 -15.457 1.00 32.61 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.741 -16.775 -15.930 1.00 38.58 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.891 -16.564 -15.291 1.00 37.81 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.692 -10.184 -16.809 1.00 38.46 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.798 -8.802  -17.361 1.00 42.35 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.876 -8.607  -18.576 1.00 39.38 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.297 -7.882  -19.515 1.00 40.81 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.519 -7.733  -16.286 1.00 51.40 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.360 -7.861  -15.059 1.00 64.53 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.988 -8.662  -13.983 1.00 77.73 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.545 -7.302  -14.723 1.00 68.57 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.910 -8.589  -13.041 1.00 76.60 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.878 -7.764  -13.473 1.00 75.25 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.684  -9.232  -18.584 1.00 37.70 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.672  -9.108  -19.673 1.00 36.98 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.124  -9.761  -20.992 1.00 34.45 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.451  -9.503  -21.994 1.00 37.72 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.296  -9.643  -19.224 1.00 43.31 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.233  -11.109 -18.961 1.00 43.59 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.608  -11.994 -19.831 1.00 50.95 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.663  -11.845 -17.912 1.00 46.70 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.682  -13.218 -19.340 1.00 46.95 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.325  -13.154 -18.162 1.00 52.36 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.197 -10.572 -21.021 1.00 28.75 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.812 -11.109 -22.278 1.00 23.03 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.951 -10.206 -22.730 1.00 21.86 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.789 -10.693 -23.498 1.00 17.89 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.344 -12.525 -22.076 1.00 22.31 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.287 -13.497 -21.663 1.00 23.64 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.243  -13.795 -22.523 1.00 22.84 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -10.106 -14.202 -20.524 1.00 24.94 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.443  -14.652 -21.923 1.00 23.87 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.932  -14.917 -20.690 1.00 26.69 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.999 -8.984  -22.223 1.00 22.11 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -13.035 -7.990  -22.559 1.00 24.78 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.137 -7.814  -24.078 1.00 23.97 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -12.108 -7.740  -24.807 1.00 25.73 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.706 -6.648  -21.899 1.00 30.43 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.721 -5.531  -22.180 1.00 37.63 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.356 -5.750  -21.346 1.00 45.56 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.919 -5.209  -19.698 1.00 33.15 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.358 -7.799  -24.583 1.00 19.10 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.665 -7.552  -26.013 1.00 19.99 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.657 -6.378  -26.076 1.00 20.37 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.511 -6.225  -25.168 1.00 20.06 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.148 -8.809  -26.766 1.00 21.39 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -14.047 -9.851  -26.812 1.00 24.11 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.359 -9.439  -26.148 1.00 22.38 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.570 -5.590  -27.147 1.00 20.43 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.457 -4.429  -27.372 1.00 18.56 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.677 -4.922  -28.154 1.00 19.46 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.583 -5.287  -29.348 1.00 23.08 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.708 -3.327  -28.139 1.00 20.17 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.476 -2.060  -28.322 1.00 23.66 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.634 -1.122  -27.321 1.00 29.62 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.162 -1.595  -29.397 1.00 29.41 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.369 -0.108  -27.778 1.00 25.20 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.708 -0.377  -29.064 1.00 31.80 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.786 -5.076  -27.448 1.00 15.09 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -20.041 -5.546  -28.072 1.00 15.46 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.868 -4.352  -28.566 1.00 14.51 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.919 -3.341  -27.906 1.00 15.74 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.826 -6.393  -27.049 1.00 14.56 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -20.012 -7.602  -26.565 1.00 16.35 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.180 -6.790  -27.605 1.00 14.45 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.513 -8.532  -27.675 1.00 16.13 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.446 -4.524  -29.736 1.00 13.92 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.446 -3.547  -30.236 1.00 15.41 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.688 -4.306  -30.665 1.00 15.45 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.629 -5.513  -30.958 1.00 16.91 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.879 -2.729  -31.392 1.00 18.24 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.517 -3.583  -32.451 1.00 18.59 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.716 -1.834  -31.003 1.00 20.99 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.819 -3.609  -30.639 1.00 13.55 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.105 -4.266  -30.944 1.00 14.18 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.411 -4.243  -32.432 1.00 14.03 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.094 -3.224  -33.100 1.00 15.38 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.183 -3.534  -30.169 1.00 14.21 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.991 -3.603  -28.668 1.00 14.19 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.953 -2.678  -27.950 1.00 16.17 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -27.122 -5.040  -28.151 1.00 15.37 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -27.014 -5.284  -32.937 1.00 12.57 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.366 -5.438  -34.364 1.00 13.28 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.853 -5.034  -34.553 1.00 14.30 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.733 -5.826  -34.271 1.00 13.43 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.089 -6.856  -34.860 1.00 13.46 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.320 -7.103  -36.323 1.00 17.87 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -27.977 -6.246  -36.952 1.00 18.04 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -26.984 -8.213  -36.816 1.00 18.75 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.057 -3.800  -35.043 0.25 14.62 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.092 -3.814  -35.043 0.25 15.02 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.378 -3.182  -35.365 0.25 15.95 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.464 -3.261  -35.219 0.25 16.39 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.283 -4.140  -36.132 0.25 15.06 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.313 -4.152  -36.133 0.25 15.41 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.517 -4.151  -35.871 0.25 14.82 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.557 -4.170  -35.945 0.25 14.78 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.185 -1.948  -36.258 0.25 17.06 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.405 -1.838  -35.791 0.25 18.53 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.343 -0.852  -35.623 0.25 19.24 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.850 -0.794  -34.835 0.25 21.04 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.399 0.467   -36.377 0.25 19.62 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.435 -0.363  -35.175 0.25 24.77 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.826 1.489   -35.524 0.25 20.11 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.345 0.663   -36.212 0.25 27.37 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.493 2.101   -34.561 0.25 19.90 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.686 0.541   -37.365 0.25 30.22 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.769 1.820   -34.387 0.25 20.35 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.047 -0.574  -37.670 0.25 32.74 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.889 2.994   -33.797 0.25 19.54 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.665 1.549   -38.216 0.25 31.88 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.714 -4.886  -37.081 1.00 15.22 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.500 -5.731  -37.992 1.00 16.05 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.199 -6.884  -37.279 1.00 13.82 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.198 -7.385  -37.778 1.00 13.65 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.654 -6.192  -39.177 1.00 19.06 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.488 -5.058  -40.173 1.00 28.08 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.268 -4.094  -40.179 1.00 34.15 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.464 -5.148  -41.003 1.00 38.98 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.677 -7.295  -36.105 1.00 11.78 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.204 -8.422  -35.336 1.00 11.67 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.245 -7.942  -34.315 1.00 10.69 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.913 -8.795  -33.719 1.00 11.54 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.106 -9.186  -34.585 1.00 11.82 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.541 -8.390  -33.534 1.00 12.01 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.059 -9.749  -35.539 1.00 13.53 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.314 -6.647  -34.080 1.00 10.98 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.149 -6.090  -32.980 1.00 11.17 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.630 -6.283  -33.273 1.00 10.95 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.111 -5.982  -34.392 1.00 11.89 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.865 -4.631  -32.811 1.00 11.83 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.396 -6.640  -32.269 1.00 10.69 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.857 -6.439  -32.299 1.00 10.29 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.158 -4.997  -32.685 1.00 9.97  ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.453 -4.047  -32.347 1.00 9.72  ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.396 -6.797  -30.935 1.00 11.21 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.864 -6.499  -30.856 1.00 11.89 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.281 -5.418  -30.443 1.00 12.49 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.644 -7.422  -31.330 1.00 14.14 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.227 -4.834  -33.451 1.00 9.96  ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.611 -3.542  -34.048 1.00 10.64 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -40.001 -2.484  -33.016 1.00 10.16 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.094 -1.325  -33.445 1.00 11.25 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.742 -3.757  -35.027 1.00 11.69 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.861 -4.243  -34.341 1.00 13.55 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.189 -2.803  -31.744 1.00 9.45  ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.498 -1.779  -30.728 1.00 10.40 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.241 -1.267  -30.037 1.00 10.96 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.350 -0.372  -29.211 1.00 11.59 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.473 -2.340  -29.713 1.00 10.72 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.880 -2.453  -30.235 1.00 11.88 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.283 -2.957  -31.443 1.00 12.28 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -44.061 -2.019  -29.562 1.00 12.75 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.662 -2.873  -31.548 1.00 13.87 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.148 -2.328  -30.407 1.00 12.15 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.286 -1.443  -28.314 1.00 13.63 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.481 -2.016  -30.022 1.00 13.98 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.586 -1.149  -27.934 1.00 15.71 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.652 -1.473  -28.771 1.00 16.00 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -38.058 -1.836  -30.328 1.00 10.21 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.820 -1.449  -29.615 1.00 11.19 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.237 -0.171  -30.240 1.00 11.29 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.270 0.036   -31.470 1.00 12.52 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.801 -2.589  -29.671 1.00 10.14 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.216 -3.845  -28.926 1.00 11.49 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.096 -4.876  -28.950 1.00 11.79 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.615 -3.588  -27.495 1.00 12.19 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.590 0.583   -29.380 1.00 11.43 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.829 1.813   -29.723 1.00 12.03 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.379 1.576   -29.279 1.00 11.84 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -33.116 1.454   -28.056 1.00 12.53 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.419 3.036   -29.044 1.00 12.65 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.902 3.274   -29.435 1.00 12.84 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.553 4.273   -29.354 1.00 14.01 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.550 4.344   -28.652 1.00 15.71 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.506 1.509   -30.261 1.00 14.10 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -31.052 1.318   -30.038 1.00 14.70 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.355 2.645   -30.190 1.00 15.58 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.640 3.395   -31.180 1.00 16.38 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.509 0.289   -30.987 1.00 14.65 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -31.100 -1.075  -30.655 1.00 18.01 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.975 0.240   -30.944 1.00 15.72 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.929 -2.033  -31.685 1.00 19.62 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.463 2.999   -29.288 1.00 15.93 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.773 4.293   -29.318 1.00 16.44 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.866 4.395   -30.559 1.00 15.88 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.468 3.406   -31.138 1.00 15.41 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -28.024 4.461   -28.039 1.00 16.90 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -27.037 3.427   -27.902 1.00 16.54 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.457 5.635   -30.889 1.00 19.15 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.557 5.900   -32.042 1.00 19.68 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.275 5.069   -31.960 1.00 17.69 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.853 4.577   -32.992 1.00 20.18 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.195 7.392   -32.039 1.00 23.33 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.231 7.755   -33.143 1.00 26.29 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.387 9.195   -33.519 1.00 25.83 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.190 10.088  -32.333 1.00 30.66 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.324 11.463  -32.814 1.00 32.22 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.707 4.975   -30.761 1.00 18.40 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.438 4.220   -30.553 1.00 17.21 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.664 2.689   -30.522 1.00 16.23 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.679 1.957   -30.426 1.00 16.26 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.688 4.702   -29.317 1.00 19.19 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.337 4.432   -27.971 1.00 19.00 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.441 3.788   -27.963 1.00 19.32 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.728 4.852   -26.945 1.00 22.89 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.903 2.226   -30.632 1.00 15.00 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.275 0.796   -30.647 1.00 14.73 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.833 0.133   -29.329 1.00 12.69 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.651 -1.113  -29.354 1.00 13.87 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.738 0.134   -31.921 1.00 17.49 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.336 0.744   -33.192 1.00 22.76 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -25.021 0.053   -34.483 1.00 29.81 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.600 -0.099  -34.679 1.00 38.05 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.897 -1.247  -34.581 1.00 50.28 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.467 -2.426  -34.297 1.00 41.62 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.587 -1.193  -34.793 1.00 54.91 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.763 0.850   -28.243 1.00 12.40 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.387 0.311   -26.921 1.00 13.42 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.533 0.304   -25.936 1.00 13.52 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.346 -0.261  -24.845 1.00 14.58 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.207 1.072   -26.319 1.00 14.22 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.979 1.016   -27.211 1.00 16.75 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -21.120 -0.188  -27.031 1.00 17.83 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.356 -0.058  -25.782 1.00 19.02 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.626 -1.005  -25.219 1.00 18.34 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.542 -2.182  -25.775 1.00 18.89 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.981 -0.730  -24.106 1.00 19.56 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.698 0.887   -26.237 1.00 11.96 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.850 0.897   -25.332 1.00 12.91 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -29.119 0.543   -26.092 1.00 12.09 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.223 0.801   -27.297 1.00 12.66 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -28.065 2.306   -24.763 1.00 15.63 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.811 2.939   -24.180 1.00 20.14 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.179 4.130   -23.333 1.00 25.34 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.340 4.337   -22.962 1.00 27.38 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -26.176 4.921   -23.018 1.00 30.02 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -30.052 -0.091  -25.400 1.00 10.95 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.348 -0.479  -26.019 1.00 11.03 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.435 -0.337  -24.966 1.00 11.12 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.245 -0.719  -23.816 1.00 10.71 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.280 -1.878  -26.630 1.00 11.35 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.869 -2.954  -25.632 1.00 10.72 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.591 -2.251  -27.288 1.00 11.91 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.580 0.189   -25.373 1.00 10.81 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.779 0.230   -24.506 1.00 11.48 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -36.024 -0.089  -25.340 1.00 10.84 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -36.008 -0.003  -26.575 1.00 10.58 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.918 1.591   -23.832 1.00 12.26 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -35.209 2.736   -24.779 1.00 14.58 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -35.170 4.071   -24.033 1.00 16.68 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.517 5.159   -24.919 1.00 20.89 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.718 5.608   -25.173 1.00 18.10 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.801 5.082   -24.644 1.00 21.57 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.813 6.645   -26.024 1.00 25.50 ? 38  ARG B NH2 1 
ATOM   283  N N   A MET A 1 33  ? -37.085 -0.415  -24.604 0.29 11.06 ? 39  MET B N   1 
ATOM   284  N N   B MET A 1 33  ? -37.098 -0.503  -24.681 0.29 11.25 ? 39  MET B N   1 
ATOM   285  C CA  A MET A 1 33  ? -38.454 -0.663  -25.120 0.29 12.06 ? 39  MET B CA  1 
ATOM   286  C CA  B MET A 1 33  ? -38.355 -0.766  -25.425 0.29 12.13 ? 39  MET B CA  1 
ATOM   287  C C   A MET A 1 33  ? -39.094 0.687   -25.448 0.29 11.41 ? 39  MET B C   1 
ATOM   288  C C   B MET A 1 33  ? -39.164 0.520   -25.458 0.29 11.47 ? 39  MET B C   1 
ATOM   289  O O   A MET A 1 33  ? -39.155 1.547   -24.581 0.29 12.02 ? 39  MET B O   1 
ATOM   290  O O   B MET A 1 33  ? -39.499 1.063   -24.356 0.29 11.03 ? 39  MET B O   1 
ATOM   291  C CB  A MET A 1 33  ? -39.247 -1.429  -24.052 0.29 12.32 ? 39  MET B CB  1 
ATOM   292  C CB  B MET A 1 33  ? -39.200 -1.888  -24.823 0.29 13.01 ? 39  MET B CB  1 
ATOM   293  C CG  A MET A 1 33  ? -40.614 -1.928  -24.504 0.29 13.53 ? 39  MET B CG  1 
ATOM   294  C CG  B MET A 1 33  ? -40.487 -2.149  -25.649 0.29 13.76 ? 39  MET B CG  1 
ATOM   295  S SD  A MET A 1 33  ? -40.494 -2.924  -26.029 0.29 16.28 ? 39  MET B SD  1 
ATOM   296  S SD  B MET A 1 33  ? -41.342 -3.575  -24.941 0.29 14.66 ? 39  MET B SD  1 
ATOM   297  C CE  A MET A 1 33  ? -42.030 -3.840  -26.008 0.29 15.05 ? 39  MET B CE  1 
ATOM   298  C CE  B MET A 1 33  ? -42.733 -3.641  -26.064 0.29 14.83 ? 39  MET B CE  1 
ATOM   299  N N   . GLY A 1 34  ? -39.477 0.910   -26.697 1.00 11.53 ? 40  GLY B N   1 
ATOM   300  C CA  . GLY A 1 34  ? -40.338 2.065   -26.989 1.00 12.63 ? 40  GLY B CA  1 
ATOM   301  C C   . GLY A 1 34  ? -41.773 1.812   -26.608 1.00 14.29 ? 40  GLY B C   1 
ATOM   302  O O   . GLY A 1 34  ? -42.163 0.712   -26.225 1.00 15.06 ? 40  GLY B O   1 
ATOM   303  N N   . ASP A 1 35  ? -42.565 2.884   -26.608 1.00 16.24 ? 41  ASP B N   1 
ATOM   304  C CA  . ASP A 1 35  ? -44.013 2.782   -26.246 1.00 17.51 ? 41  ASP B CA  1 
ATOM   305  C C   . ASP A 1 35  ? -44.848 2.381   -27.478 1.00 17.01 ? 41  ASP B C   1 
ATOM   306  O O   . ASP A 1 35  ? -46.094 2.217   -27.346 1.00 17.59 ? 41  ASP B O   1 
ATOM   307  C CB  . ASP A 1 35  ? -44.518 4.065   -25.563 1.00 19.28 ? 41  ASP B CB  1 
ATOM   308  C CG  . ASP A 1 35  ? -43.992 4.291   -24.136 1.00 26.35 ? 41  ASP B CG  1 
ATOM   309  O OD1 . ASP A 1 35  ? -43.659 3.292   -23.451 1.00 30.55 ? 41  ASP B OD1 1 
ATOM   310  O OD2 . ASP A 1 35  ? -44.017 5.448   -23.683 1.00 26.96 ? 41  ASP B OD2 1 
ATOM   311  N N   . THR A 1 36  ? -44.235 2.180   -28.632 1.00 13.77 ? 42  THR B N   1 
ATOM   312  C CA  . THR A 1 36  ? -44.925 1.905   -29.920 1.00 14.32 ? 42  THR B CA  1 
ATOM   313  C C   . THR A 1 36  ? -43.977 1.263   -30.924 1.00 12.22 ? 42  THR B C   1 
ATOM   314  O O   . THR A 1 36  ? -42.705 1.237   -30.707 1.00 12.16 ? 42  THR B O   1 
ATOM   315  C CB  . THR A 1 36  ? -45.530 3.230   -30.391 1.00 15.30 ? 42  THR B CB  1 
ATOM   316  O OG1 . THR A 1 36  ? -46.342 2.878   -31.487 1.00 16.50 ? 42  THR B OG1 1 
ATOM   317  C CG2 . THR A 1 36  ? -44.459 4.222   -30.773 1.00 17.66 ? 42  THR B CG2 1 
ATOM   318  N N   . HIS A 1 37  ? -44.465 0.795   -32.053 1.00 12.89 ? 43  HIS B N   1 
ATOM   319  C CA  . HIS A 1 37  ? -43.643 0.346   -33.215 1.00 12.39 ? 43  HIS B CA  1 
ATOM   320  C C   . HIS A 1 37  ? -42.717 1.461   -33.672 1.00 13.56 ? 43  HIS B C   1 
ATOM   321  O O   . HIS A 1 37  ? -43.183 2.605   -33.846 1.00 14.02 ? 43  HIS B O   1 
ATOM   322  C CB  . HIS A 1 37  ? -44.574 -0.160  -34.326 1.00 12.75 ? 43  HIS B CB  1 
ATOM   323  C CG  . HIS A 1 37  ? -43.954 -0.792  -35.522 1.00 11.98 ? 43  HIS B CG  1 
ATOM   324  N ND1 . HIS A 1 37  ? -43.164 -0.132  -36.450 1.00 12.16 ? 43  HIS B ND1 1 
ATOM   325  C CD2 . HIS A 1 37  ? -44.097 -2.056  -35.976 1.00 12.56 ? 43  HIS B CD2 1 
ATOM   326  C CE1 . HIS A 1 37  ? -42.841 -0.968  -37.414 1.00 12.50 ? 43  HIS B CE1 1 
ATOM   327  N NE2 . HIS A 1 37  ? -43.416 -2.186  -37.149 1.00 12.71 ? 43  HIS B NE2 1 
ATOM   328  N N   . GLN A 1 38  ? -41.436 1.162   -33.929 1.00 11.77 ? 44  GLN B N   1 
ATOM   329  C CA  . GLN A 1 38  ? -40.410 2.174   -34.222 1.00 12.14 ? 44  GLN B CA  1 
ATOM   330  C C   . GLN A 1 38  ? -40.230 2.449   -35.732 1.00 12.86 ? 44  GLN B C   1 
ATOM   331  O O   . GLN A 1 38  ? -39.186 3.067   -36.116 1.00 13.65 ? 44  GLN B O   1 
ATOM   332  C CB  . GLN A 1 38  ? -39.111 1.773   -33.525 1.00 12.18 ? 44  GLN B CB  1 
ATOM   333  C CG  . GLN A 1 38  ? -39.245 1.842   -32.030 1.00 12.51 ? 44  GLN B CG  1 
ATOM   334  C CD  . GLN A 1 38  ? -39.738 3.156   -31.506 1.00 12.85 ? 44  GLN B CD  1 
ATOM   335  O OE1 . GLN A 1 38  ? -40.681 3.284   -30.693 1.00 17.00 ? 44  GLN B OE1 1 
ATOM   336  N NE2 . GLN A 1 38  ? -39.097 4.210   -31.945 1.00 11.52 ? 44  GLN B NE2 1 
ATOM   337  N N   . ASN A 1 39  ? -41.177 2.050   -36.564 1.00 11.86 ? 45  ASN B N   1 
ATOM   338  C CA  . ASN A 1 39  ? -41.275 2.506   -37.975 1.00 11.50 ? 45  ASN B CA  1 
ATOM   339  C C   . ASN A 1 39  ? -40.172 1.910   -38.825 1.00 12.56 ? 45  ASN B C   1 
ATOM   340  O O   . ASN A 1 39  ? -39.740 2.509   -39.838 1.00 14.19 ? 45  ASN B O   1 
ATOM   341  C CB  . ASN A 1 39  ? -41.309 4.045   -38.106 1.00 12.32 ? 45  ASN B CB  1 
ATOM   342  C CG  . ASN A 1 39  ? -41.953 4.472   -39.404 1.00 12.72 ? 45  ASN B CG  1 
ATOM   343  O OD1 . ASN A 1 39  ? -42.824 3.789   -39.928 1.00 12.44 ? 45  ASN B OD1 1 
ATOM   344  N ND2 . ASN A 1 39  ? -41.530 5.615   -39.951 1.00 12.83 ? 45  ASN B ND2 1 
ATOM   345  N N   . VAL A 1 40  ? -39.787 0.683   -38.530 1.00 14.02 ? 46  VAL B N   1 
ATOM   346  C CA  . VAL A 1 40  ? -38.844 -0.128  -39.341 1.00 15.24 ? 46  VAL B CA  1 
ATOM   347  C C   . VAL A 1 40  ? -39.609 -1.154  -40.172 1.00 13.99 ? 46  VAL B C   1 
ATOM   348  O O   . VAL A 1 40  ? -40.665 -1.625  -39.748 1.00 14.66 ? 46  VAL B O   1 
ATOM   349  C CB  . VAL A 1 40  ? -37.815 -0.831  -38.449 1.00 15.67 ? 46  VAL B CB  1 
ATOM   350  C CG1 . VAL A 1 40  ? -36.887 0.184   -37.794 1.00 19.66 ? 46  VAL B CG1 1 
ATOM   351  C CG2 . VAL A 1 40  ? -38.440 -1.733  -37.415 1.00 15.35 ? 46  VAL B CG2 1 
ATOM   352  N N   . SER A 1 41  ? -39.028 -1.565  -41.296 1.00 15.65 ? 47  SER B N   1 
ATOM   353  C CA  . SER A 1 41  ? -39.581 -2.687  -42.072 1.00 17.28 ? 47  SER B CA  1 
ATOM   354  C C   . SER A 1 41  ? -39.355 -4.015  -41.349 1.00 14.90 ? 47  SER B C   1 
ATOM   355  O O   . SER A 1 41  ? -38.382 -4.138  -40.571 1.00 14.92 ? 47  SER B O   1 
ATOM   356  C CB  . SER A 1 41  ? -38.999 -2.711  -43.481 1.00 18.81 ? 47  SER B CB  1 
ATOM   357  O OG  . SER A 1 41  ? -37.582 -2.867  -43.410 1.00 20.53 ? 47  SER B OG  1 
ATOM   358  N N   . ASP A 1 42  ? -40.178 -5.011  -41.620 1.00 15.71 ? 48  ASP B N   1 
ATOM   359  C CA  . ASP A 1 42  ? -39.989 -6.364  -41.072 1.00 14.48 ? 48  ASP B CA  1 
ATOM   360  C C   . ASP A 1 42  ? -38.879 -7.080  -41.841 1.00 16.04 ? 48  ASP B C   1 
ATOM   361  O O   . ASP A 1 42  ? -38.649 -6.771  -43.019 1.00 16.48 ? 48  ASP B O   1 
ATOM   362  C CB  . ASP A 1 42  ? -41.287 -7.142  -41.082 1.00 16.25 ? 48  ASP B CB  1 
ATOM   363  C CG  . ASP A 1 42  ? -41.185 -8.388  -40.226 1.00 19.25 ? 48  ASP B CG  1 
ATOM   364  O OD1 . ASP A 1 42  ? -40.520 -8.359  -39.129 1.00 16.93 ? 48  ASP B OD1 1 
ATOM   365  O OD2 . ASP A 1 42  ? -41.673 -9.422  -40.718 1.00 21.89 ? 48  ASP B OD2 1 
ATOM   366  N N   . ASN A 1 43  ? -38.265 -8.088  -41.223 1.00 15.02 ? 49  ASN B N   1 
ATOM   367  C CA  . ASN A 1 43  ? -37.261 -8.950  -41.886 1.00 15.68 ? 49  ASN B CA  1 
ATOM   368  C C   . ASN A 1 43  ? -37.206 -10.255 -41.098 1.00 15.91 ? 49  ASN B C   1 
ATOM   369  O O   . ASN A 1 43  ? -37.774 -10.370 -39.976 1.00 16.36 ? 49  ASN B O   1 
ATOM   370  C CB  . ASN A 1 43  ? -35.910 -8.296  -42.050 1.00 15.97 ? 49  ASN B CB  1 
ATOM   371  C CG  . ASN A 1 43  ? -35.177 -8.104  -40.741 1.00 15.52 ? 49  ASN B CG  1 
ATOM   372  O OD1 . ASN A 1 43  ? -34.993 -9.071  -40.001 1.00 17.80 ? 49  ASN B OD1 1 
ATOM   373  N ND2 . ASN A 1 43  ? -34.775 -6.919  -40.434 1.00 14.98 ? 49  ASN B ND2 1 
ATOM   374  N N   . LYS A 1 44  ? -36.590 -11.245 -41.688 1.00 16.10 ? 50  LYS B N   1 
ATOM   375  C CA  . LYS A 1 44  ? -36.608 -12.608 -41.120 1.00 17.14 ? 50  LYS B CA  1 
ATOM   376  C C   . LYS A 1 44  ? -35.711 -12.701 -39.863 1.00 15.27 ? 50  LYS B C   1 
ATOM   377  O O   . LYS A 1 44  ? -35.915 -13.691 -39.094 1.00 17.46 ? 50  LYS B O   1 
ATOM   378  C CB  . LYS A 1 44  ? -36.123 -13.649 -42.147 1.00 21.03 ? 50  LYS B CB  1 
ATOM   379  C CG  . LYS A 1 44  ? -34.679 -13.465 -42.545 1.00 25.59 ? 50  LYS B CG  1 
ATOM   380  C CD  . LYS A 1 44  ? -34.168 -14.311 -43.697 1.00 35.81 ? 50  LYS B CD  1 
ATOM   381  C CE  . LYS A 1 44  ? -32.650 -14.336 -43.646 1.00 39.82 ? 50  LYS B CE  1 
ATOM   382  N NZ  . LYS A 1 44  ? -32.050 -14.937 -44.865 1.00 48.13 ? 50  LYS B NZ  1 
ATOM   383  N N   . GLU A 1 45  ? -34.799 -11.773 -39.655 1.00 14.95 ? 51  GLU B N   1 
ATOM   384  C CA  . GLU A 1 45  ? -33.893 -11.772 -38.475 1.00 15.32 ? 51  GLU B CA  1 
ATOM   385  C C   . GLU A 1 45  ? -34.615 -11.242 -37.210 1.00 14.26 ? 51  GLU B C   1 
ATOM   386  O O   . GLU A 1 45  ? -34.223 -11.624 -36.085 1.00 14.90 ? 51  GLU B O   1 
ATOM   387  C CB  . GLU A 1 45  ? -32.667 -10.917 -38.714 1.00 17.76 ? 51  GLU B CB  1 
ATOM   388  C CG  . GLU A 1 45  ? -31.814 -11.335 -39.924 1.00 22.85 ? 51  GLU B CG  1 
ATOM   389  C CD  . GLU A 1 45  ? -30.663 -10.350 -40.050 1.00 29.64 ? 51  GLU B CD  1 
ATOM   390  O OE1 . GLU A 1 45  ? -30.723 -9.484  -40.963 1.00 38.06 ? 51  GLU B OE1 1 
ATOM   391  O OE2 . GLU A 1 45  ? -29.757 -10.351 -39.167 1.00 30.78 ? 51  GLU B OE2 1 
ATOM   392  N N   . ARG A 1 46  ? -35.665 -10.416 -37.319 1.00 12.66 ? 52  ARG B N   1 
ATOM   393  C CA  . ARG A 1 46  ? -36.204 -9.731  -36.111 1.00 12.54 ? 52  ARG B CA  1 
ATOM   394  C C   . ARG A 1 46  ? -36.912 -10.705 -35.205 1.00 12.15 ? 52  ARG B C   1 
ATOM   395  O O   . ARG A 1 46  ? -37.777 -11.506 -35.606 1.00 13.43 ? 52  ARG B O   1 
ATOM   396  C CB  . ARG A 1 46  ? -37.212 -8.654  -36.518 1.00 11.74 ? 52  ARG B CB  1 
ATOM   397  C CG  . ARG A 1 46  ? -36.607 -7.515  -37.291 1.00 12.42 ? 52  ARG B CG  1 
ATOM   398  C CD  . ARG A 1 46  ? -37.554 -6.289  -37.291 1.00 12.05 ? 52  ARG B CD  1 
ATOM   399  N NE  . ARG A 1 46  ? -37.052 -5.263  -38.173 1.00 13.83 ? 52  ARG B NE  1 
ATOM   400  C CZ  . ARG A 1 46  ? -35.958 -4.542  -37.973 1.00 12.86 ? 52  ARG B CZ  1 
ATOM   401  N NH1 . ARG A 1 46  ? -35.325 -4.560  -36.796 1.00 12.18 ? 52  ARG B NH1 1 
ATOM   402  N NH2 . ARG A 1 46  ? -35.482 -3.703  -38.906 1.00 15.01 ? 52  ARG B NH2 1 
ATOM   403  N N   . PHE A 1 47  ? -36.648 -10.631 -33.901 1.00 11.37 ? 53  PHE B N   1 
ATOM   404  C CA  . PHE A 1 47  ? -37.472 -11.343 -32.899 1.00 10.99 ? 53  PHE B CA  1 
ATOM   405  C C   . PHE A 1 47  ? -38.884 -10.714 -32.895 1.00 12.12 ? 53  PHE B C   1 
ATOM   406  O O   . PHE A 1 47  ? -39.017 -9.527  -32.650 1.00 12.97 ? 53  PHE B O   1 
ATOM   407  C CB  . PHE A 1 47  ? -36.865 -11.265 -31.490 1.00 10.74 ? 53  PHE B CB  1 
ATOM   408  C CG  . PHE A 1 47  ? -35.621 -12.130 -31.347 1.00 10.12 ? 53  PHE B CG  1 
ATOM   409  C CD1 . PHE A 1 47  ? -35.727 -13.491 -31.120 1.00 10.56 ? 53  PHE B CD1 1 
ATOM   410  C CD2 . PHE A 1 47  ? -34.355 -11.572 -31.440 1.00 11.38 ? 53  PHE B CD2 1 
ATOM   411  C CE1 . PHE A 1 47  ? -34.605 -14.296 -31.004 1.00 11.10 ? 53  PHE B CE1 1 
ATOM   412  C CE2 . PHE A 1 47  ? -33.230 -12.394 -31.325 1.00 11.39 ? 53  PHE B CE2 1 
ATOM   413  C CZ  . PHE A 1 47  ? -33.377 -13.752 -31.085 1.00 10.75 ? 53  PHE B CZ  1 
ATOM   414  N N   . SER A 1 48  ? -39.948 -11.511 -33.043 0.58 11.50 ? 54  SER B N   1 
ATOM   415  C CA  . SER A 1 48  ? -41.325 -10.976 -33.241 0.58 11.47 ? 54  SER B CA  1 
ATOM   416  C C   . SER A 1 48  ? -42.178 -11.005 -31.963 0.58 12.01 ? 54  SER B C   1 
ATOM   417  O O   . SER A 1 48  ? -43.077 -10.151 -31.849 0.58 11.80 ? 54  SER B O   1 
ATOM   418  C CB  . SER A 1 48  ? -42.011 -11.680 -34.395 0.58 12.01 ? 54  SER B CB  1 
ATOM   419  O OG  . SER A 1 48  ? -42.098 -13.090 -34.199 0.58 11.11 ? 54  SER B OG  1 
ATOM   420  N N   . ASN A 1 49  ? -41.955 -11.919 -31.019 0.58 11.31 ? 55  ASN B N   1 
ATOM   421  C CA  . ASN A 1 49  ? -42.890 -12.109 -29.876 0.58 12.00 ? 55  ASN B CA  1 
ATOM   422  C C   . ASN A 1 49  ? -42.375 -11.453 -28.593 0.58 11.55 ? 55  ASN B C   1 
ATOM   423  O O   . ASN A 1 49  ? -43.134 -11.418 -27.605 0.58 12.76 ? 55  ASN B O   1 
ATOM   424  C CB  . ASN A 1 49  ? -43.137 -13.584 -29.579 0.58 12.82 ? 55  ASN B CB  1 
ATOM   425  C CG  . ASN A 1 49  ? -44.411 -13.828 -28.811 0.58 15.05 ? 55  ASN B CG  1 
ATOM   426  O OD1 . ASN A 1 49  ? -44.423 -14.584 -27.821 0.58 19.24 ? 55  ASN B OD1 1 
ATOM   427  N ND2 . ASN A 1 49  ? -45.481 -13.218 -29.289 0.58 14.65 ? 55  ASN B ND2 1 
ATOM   428  N N   . TYR A 1 50  ? -41.118 -11.012 -28.577 0.58 10.74 ? 56  TYR B N   1 
ATOM   429  C CA  . TYR A 1 50  ? -40.444 -10.517 -27.349 0.58 10.58 ? 56  TYR B CA  1 
ATOM   430  C C   . TYR A 1 50  ? -39.516 -9.354  -27.700 0.58 9.99  ? 56  TYR B C   1 
ATOM   431  O O   . TYR A 1 50  ? -39.013 -9.263  -28.825 0.58 10.56 ? 56  TYR B O   1 
ATOM   432  C CB  . TYR A 1 50  ? -39.594 -11.624 -26.720 0.58 10.70 ? 56  TYR B CB  1 
ATOM   433  C CG  . TYR A 1 50  ? -40.301 -12.947 -26.523 0.58 11.43 ? 56  TYR B CG  1 
ATOM   434  C CD1 . TYR A 1 50  ? -41.115 -13.165 -25.426 0.58 12.04 ? 56  TYR B CD1 1 
ATOM   435  C CD2 . TYR A 1 50  ? -40.131 -14.005 -27.406 0.58 11.75 ? 56  TYR B CD2 1 
ATOM   436  C CE1 . TYR A 1 50  ? -41.786 -14.365 -25.237 0.58 12.31 ? 56  TYR B CE1 1 
ATOM   437  C CE2 . TYR A 1 50  ? -40.799 -15.208 -27.246 0.58 12.18 ? 56  TYR B CE2 1 
ATOM   438  C CZ  . TYR A 1 50  ? -41.610 -15.402 -26.139 0.58 12.08 ? 56  TYR B CZ  1 
ATOM   439  O OH  . TYR A 1 50  ? -42.255 -16.597 -25.966 0.58 13.37 ? 56  TYR B OH  1 
ATOM   440  N N   . PRO A 1 51  ? -39.220 -8.476  -26.708 1.00 10.17 ? 57  PRO B N   1 
ATOM   441  C CA  . PRO A 1 51  ? -38.325 -7.338  -26.923 1.00 10.57 ? 57  PRO B CA  1 
ATOM   442  C C   . PRO A 1 51  ? -36.814 -7.662  -26.904 1.00 9.10  ? 57  PRO B C   1 
ATOM   443  O O   . PRO A 1 51  ? -36.071 -7.174  -26.090 1.00 10.69 ? 57  PRO B O   1 
ATOM   444  C CB  . PRO A 1 51  ? -38.747 -6.381  -25.771 1.00 12.40 ? 57  PRO B CB  1 
ATOM   445  C CG  . PRO A 1 51  ? -39.890 -7.020  -25.072 1.00 13.54 ? 57  PRO B CG  1 
ATOM   446  C CD  . PRO A 1 51  ? -39.854 -8.467  -25.386 1.00 11.60 ? 57  PRO B CD  1 
ATOM   447  N N   . MET A 1 52  ? -36.421 -8.532  -27.843 1.00 10.14 ? 58  MET B N   1 
ATOM   448  C CA  . MET A 1 52  ? -35.079 -9.141  -27.912 1.00 8.64  ? 58  MET B CA  1 
ATOM   449  C C   . MET A 1 52  ? -34.284 -8.533  -29.057 1.00 9.92  ? 58  MET B C   1 
ATOM   450  O O   . MET A 1 52  ? -34.809 -8.071  -30.104 1.00 9.77  ? 58  MET B O   1 
ATOM   451  C CB  . MET A 1 52  ? -35.210 -10.638 -28.111 1.00 9.30  ? 58  MET B CB  1 
ATOM   452  C CG  . MET A 1 52  ? -35.759 -11.354 -26.917 1.00 9.52  ? 58  MET B CG  1 
ATOM   453  S SD  . MET A 1 52  ? -36.269 -13.050 -27.322 1.00 10.96 ? 58  MET B SD  1 
ATOM   454  C CE  . MET A 1 52  ? -36.900 -13.683 -25.764 1.00 11.85 ? 58  MET B CE  1 
ATOM   455  N N   . VAL A 1 53  ? -32.951 -8.609  -28.889 1.00 9.72  ? 59  VAL B N   1 
ATOM   456  C CA  . VAL A 1 53  ? -31.976 -8.144  -29.905 1.00 9.96  ? 59  VAL B CA  1 
ATOM   457  C C   . VAL A 1 53  ? -30.678 -8.931  -29.695 1.00 9.73  ? 59  VAL B C   1 
ATOM   458  O O   . VAL A 1 53  ? -30.394 -9.350  -28.533 1.00 10.43 ? 59  VAL B O   1 
ATOM   459  C CB  . VAL A 1 53  ? -31.771 -6.615  -29.827 1.00 10.38 ? 59  VAL B CB  1 
ATOM   460  C CG1 . VAL A 1 53  ? -31.235 -6.174  -28.479 1.00 10.23 ? 59  VAL B CG1 1 
ATOM   461  C CG2 . VAL A 1 53  ? -30.901 -6.094  -30.983 1.00 10.79 ? 59  VAL B CG2 1 
ATOM   462  N N   . LEU A 1 54  ? -29.913 -9.092  -30.763 1.00 9.81  ? 60  LEU B N   1 
ATOM   463  C CA  . LEU A 1 54  ? -28.584 -9.745  -30.659 1.00 9.90  ? 60  LEU B CA  1 
ATOM   464  C C   . LEU A 1 54  ? -27.469 -8.733  -30.773 1.00 10.64 ? 60  LEU B C   1 
ATOM   465  O O   . LEU A 1 54  ? -27.579 -7.654  -31.441 1.00 11.63 ? 60  LEU B O   1 
ATOM   466  C CB  . LEU A 1 54  ? -28.396 -10.777 -31.776 1.00 10.97 ? 60  LEU B CB  1 
ATOM   467  C CG  . LEU A 1 54  ? -29.473 -11.837 -31.841 1.00 11.16 ? 60  LEU B CG  1 
ATOM   468  C CD1 . LEU A 1 54  ? -29.189 -12.888 -32.919 1.00 13.92 ? 60  LEU B CD1 1 
ATOM   469  C CD2 . LEU A 1 54  ? -29.685 -12.484 -30.487 1.00 10.83 ? 60  LEU B CD2 1 
ATOM   470  N N   . GLY A 1 55  ? -26.309 -9.073  -30.225 1.00 11.04 ? 61  GLY B N   1 
ATOM   471  C CA  . GLY A 1 55  ? -25.041 -8.423  -30.582 1.00 11.43 ? 61  GLY B CA  1 
ATOM   472  C C   . GLY A 1 55  ? -24.653 -8.698  -32.037 1.00 10.57 ? 61  GLY B C   1 
ATOM   473  O O   . GLY A 1 55  ? -24.970 -9.762  -32.548 1.00 12.47 ? 61  GLY B O   1 
ATOM   474  N N   . ALA A 1 56  ? -23.886 -7.801  -32.610 1.00 12.41 ? 62  ALA B N   1 
ATOM   475  C CA  . ALA A 1 56  ? -23.403 -7.953  -34.002 1.00 14.17 ? 62  ALA B CA  1 
ATOM   476  C C   . ALA A 1 56  ? -22.265 -8.984  -34.049 1.00 15.73 ? 62  ALA B C   1 
ATOM   477  O O   . ALA A 1 56  ? -22.099 -9.666  -35.096 1.00 19.77 ? 62  ALA B O   1 
ATOM   478  C CB  . ALA A 1 56  ? -22.955 -6.601  -34.459 1.00 16.19 ? 62  ALA B CB  1 
ATOM   479  N N   . GLN A 1 57  ? -21.550 -9.131  -32.932 1.00 14.55 ? 63  GLN B N   1 
ATOM   480  C CA  . GLN A 1 57  ? -20.331 -9.985  -32.910 1.00 15.75 ? 63  GLN B CA  1 
ATOM   481  C C   . GLN A 1 57  ? -20.759 -11.449 -32.949 1.00 17.03 ? 63  GLN B C   1 
ATOM   482  O O   . GLN A 1 57  ? -21.789 -11.833 -32.346 1.00 17.81 ? 63  GLN B O   1 
ATOM   483  C CB  . GLN A 1 57  ? -19.462 -9.621  -31.698 1.00 16.99 ? 63  GLN B CB  1 
ATOM   484  C CG  . GLN A 1 57  ? -18.776 -8.267  -31.776 1.00 19.16 ? 63  GLN B CG  1 
ATOM   485  C CD  . GLN A 1 57  ? -19.726 -7.103  -31.602 1.00 18.57 ? 63  GLN B CD  1 
ATOM   486  O OE1 . GLN A 1 57  ? -20.714 -7.213  -30.881 1.00 17.44 ? 63  GLN B OE1 1 
ATOM   487  N NE2 . GLN A 1 57  ? -19.509 -6.008  -32.291 1.00 21.97 ? 63  GLN B NE2 1 
ATOM   488  N N   . ARG A 1 58  ? -20.012 -12.293 -33.656 1.00 16.59 ? 64  ARG B N   1 
ATOM   489  C CA  . ARG A 1 58  ? -20.168 -13.765 -33.712 1.00 17.51 ? 64  ARG B CA  1 
ATOM   490  C C   . ARG A 1 58  ? -18.893 -14.424 -33.193 1.00 15.48 ? 64  ARG B C   1 
ATOM   491  O O   . ARG A 1 58  ? -17.762 -13.963 -33.536 1.00 17.99 ? 64  ARG B O   1 
ATOM   492  C CB  . ARG A 1 58  ? -20.356 -14.284 -35.149 1.00 21.91 ? 64  ARG B CB  1 
ATOM   493  C CG  . ARG A 1 58  ? -21.722 -14.082 -35.802 1.00 28.80 ? 64  ARG B CG  1 
ATOM   494  C CD  . ARG A 1 58  ? -22.291 -12.703 -35.597 1.00 30.27 ? 64  ARG B CD  1 
ATOM   495  N NE  . ARG A 1 58  ? -23.089 -11.954 -36.570 1.00 36.12 ? 64  ARG B NE  1 
ATOM   496  C CZ  . ARG A 1 58  ? -23.715 -12.394 -37.659 1.00 36.55 ? 64  ARG B CZ  1 
ATOM   497  N NH1 . ARG A 1 58  ? -24.388 -11.504 -38.373 1.00 38.38 ? 64  ARG B NH1 1 
ATOM   498  N NH2 . ARG A 1 58  ? -23.683 -13.656 -38.055 1.00 35.86 ? 64  ARG B NH2 1 
ATOM   499  N N   . PHE A 1 59  ? -19.050 -15.378 -32.327 1.00 14.65 ? 65  PHE B N   1 
ATOM   500  C CA  . PHE A 1 59  ? -17.893 -16.063 -31.668 1.00 14.70 ? 65  PHE B CA  1 
ATOM   501  C C   . PHE A 1 59  ? -17.970 -17.565 -31.932 1.00 13.85 ? 65  PHE B C   1 
ATOM   502  O O   . PHE A 1 59  ? -18.986 -18.204 -31.692 1.00 13.90 ? 65  PHE B O   1 
ATOM   503  C CB  . PHE A 1 59  ? -17.947 -15.798 -30.131 1.00 16.00 ? 65  PHE B CB  1 
ATOM   504  C CG  . PHE A 1 59  ? -17.960 -14.333 -29.746 1.00 18.56 ? 65  PHE B CG  1 
ATOM   505  C CD1 . PHE A 1 59  ? -16.913 -13.515 -30.157 1.00 21.77 ? 65  PHE B CD1 1 
ATOM   506  C CD2 . PHE A 1 59  ? -18.959 -13.769 -28.997 1.00 26.96 ? 65  PHE B CD2 1 
ATOM   507  C CE1 . PHE A 1 59  ? -16.843 -12.172 -29.830 1.00 24.33 ? 65  PHE B CE1 1 
ATOM   508  C CE2 . PHE A 1 59  ? -18.876 -12.423 -28.638 1.00 21.65 ? 65  PHE B CE2 1 
ATOM   509  C CZ  . PHE A 1 59  ? -17.850 -11.630 -29.086 1.00 22.11 ? 65  PHE B CZ  1 
ATOM   510  N N   A SER A 1 60  ? -16.864 -18.152 -32.414 0.25 13.71 ? 66  SER B N   1 
ATOM   511  N N   B SER A 1 60  ? -16.860 -18.157 -32.394 0.25 14.57 ? 66  SER B N   1 
ATOM   512  C CA  A SER A 1 60  ? -16.759 -19.607 -32.712 0.25 13.41 ? 66  SER B CA  1 
ATOM   513  C CA  B SER A 1 60  ? -16.741 -19.616 -32.660 0.25 14.83 ? 66  SER B CA  1 
ATOM   514  C C   A SER A 1 60  ? -15.527 -20.220 -32.023 0.25 13.33 ? 66  SER B C   1 
ATOM   515  C C   B SER A 1 60  ? -15.450 -20.170 -32.063 0.25 14.93 ? 66  SER B C   1 
ATOM   516  O O   A SER A 1 60  ? -15.346 -21.463 -32.116 0.25 12.99 ? 66  SER B O   1 
ATOM   517  O O   B SER A 1 60  ? -15.014 -21.252 -32.491 0.25 14.14 ? 66  SER B O   1 
ATOM   518  C CB  A SER A 1 60  ? -16.775 -19.846 -34.209 0.25 13.84 ? 66  SER B CB  1 
ATOM   519  C CB  B SER A 1 60  ? -16.758 -19.890 -34.119 0.25 15.63 ? 66  SER B CB  1 
ATOM   520  O OG  A SER A 1 60  ? -18.111 -19.723 -34.734 0.25 14.28 ? 66  SER B OG  1 
ATOM   521  O OG  B SER A 1 60  ? -15.683 -19.214 -34.732 0.25 17.12 ? 66  SER B OG  1 
ATOM   522  N N   A SER A 1 61  ? -14.768 -19.418 -31.269 0.25 13.59 ? 67  SER B N   1 
ATOM   523  N N   B SER A 1 61  ? -14.854 -19.464 -31.111 0.25 16.00 ? 67  SER B N   1 
ATOM   524  C CA  A SER A 1 61  ? -13.553 -19.863 -30.544 0.25 14.54 ? 67  SER B CA  1 
ATOM   525  C CA  B SER A 1 61  ? -13.560 -19.860 -30.521 0.25 17.76 ? 67  SER B CA  1 
ATOM   526  C C   A SER A 1 61  ? -13.226 -18.873 -29.425 0.25 15.24 ? 67  SER B C   1 
ATOM   527  C C   B SER A 1 61  ? -13.149 -18.828 -29.474 0.25 17.10 ? 67  SER B C   1 
ATOM   528  O O   A SER A 1 61  ? -13.812 -17.800 -29.432 0.25 15.42 ? 67  SER B O   1 
ATOM   529  O O   B SER A 1 61  ? -13.591 -17.674 -29.585 0.25 16.86 ? 67  SER B O   1 
ATOM   530  C CB  A SER A 1 61  ? -12.388 -19.988 -31.499 0.25 14.32 ? 67  SER B CB  1 
ATOM   531  C CB  B SER A 1 61  ? -12.527 -19.998 -31.616 0.25 19.36 ? 67  SER B CB  1 
ATOM   532  O OG  A SER A 1 61  ? -12.005 -18.712 -31.981 0.25 14.05 ? 67  SER B OG  1 
ATOM   533  O OG  B SER A 1 61  ? -11.283 -20.412 -31.085 0.25 23.27 ? 67  SER B OG  1 
ATOM   534  N N   . GLY A 1 62  ? -12.312 -19.233 -28.520 1.00 18.00 ? 68  GLY B N   1 
ATOM   535  C CA  . GLY A 1 62  ? -11.707 -18.258 -27.600 1.00 18.46 ? 68  GLY B CA  1 
ATOM   536  C C   . GLY A 1 62  ? -12.538 -18.017 -26.351 1.00 15.73 ? 68  GLY B C   1 
ATOM   537  O O   . GLY A 1 62  ? -13.536 -18.709 -26.090 1.00 16.59 ? 68  GLY B O   1 
ATOM   538  N N   . LYS A 1 63  ? -12.043 -17.050 -25.610 1.00 15.36 ? 69  LYS B N   1 
ATOM   539  C CA  . LYS A 1 63  ? -12.613 -16.562 -24.350 1.00 15.09 ? 69  LYS B CA  1 
ATOM   540  C C   . LYS A 1 63  ? -13.044 -15.134 -24.597 1.00 15.86 ? 69  LYS B C   1 
ATOM   541  O O   . LYS A 1 63  ? -12.229 -14.302 -25.064 1.00 17.89 ? 69  LYS B O   1 
ATOM   542  C CB  . LYS A 1 63  ? -11.603 -16.695 -23.207 1.00 17.61 ? 69  LYS B CB  1 
ATOM   543  C CG  . LYS A 1 63  ? -11.238 -18.127 -22.849 1.00 18.28 ? 69  LYS B CG  1 
ATOM   544  C CD  . LYS A 1 63  ? -10.092 -18.201 -21.791 1.00 20.56 ? 69  LYS B CD  1 
ATOM   545  C CE  . LYS A 1 63  ? -9.703  -19.618 -21.441 1.00 23.98 ? 69  LYS B CE  1 
ATOM   546  N NZ  . LYS A 1 63  ? -8.647  -19.634 -20.396 1.00 26.49 ? 69  LYS B NZ  1 
ATOM   547  N N   . MET A 1 64  ? -14.263 -14.788 -24.155 1.00 14.01 ? 70  MET B N   1 
ATOM   548  C CA  . MET A 1 64  ? -14.877 -13.461 -24.360 1.00 14.52 ? 70  MET B CA  1 
ATOM   549  C C   . MET A 1 64  ? -15.556 -13.032 -23.064 1.00 13.52 ? 70  MET B C   1 
ATOM   550  O O   . MET A 1 64  ? -16.154 -13.872 -22.405 1.00 13.93 ? 70  MET B O   1 
ATOM   551  C CB  . MET A 1 64  ? -16.005 -13.545 -25.384 1.00 15.38 ? 70  MET B CB  1 
ATOM   552  C CG  . MET A 1 64  ? -15.607 -13.735 -26.848 1.00 15.95 ? 70  MET B CG  1 
ATOM   553  S SD  . MET A 1 64  ? -14.786 -15.298 -27.351 1.00 17.78 ? 70  MET B SD  1 
ATOM   554  C CE  . MET A 1 64  ? -16.034 -16.510 -26.963 1.00 18.52 ? 70  MET B CE  1 
ATOM   555  N N   . TYR A 1 65  ? -15.544 -11.760 -22.771 1.00 13.18 ? 71  TYR B N   1 
ATOM   556  C CA  . TYR A 1 65  ? -16.151 -11.193 -21.545 1.00 13.27 ? 71  TYR B CA  1 
ATOM   557  C C   . TYR A 1 65  ? -16.766 -9.850  -21.906 1.00 13.59 ? 71  TYR B C   1 
ATOM   558  O O   . TYR A 1 65  ? -16.123 -9.021  -22.587 1.00 14.88 ? 71  TYR B O   1 
ATOM   559  C CB  . TYR A 1 65  ? -15.098 -11.042 -20.458 1.00 14.54 ? 71  TYR B CB  1 
ATOM   560  C CG  . TYR A 1 65  ? -15.601 -10.437 -19.176 1.00 13.63 ? 71  TYR B CG  1 
ATOM   561  C CD1 . TYR A 1 65  ? -16.316 -11.211 -18.295 1.00 14.42 ? 71  TYR B CD1 1 
ATOM   562  C CD2 . TYR A 1 65  ? -15.414 -9.078  -18.893 1.00 14.61 ? 71  TYR B CD2 1 
ATOM   563  C CE1 . TYR A 1 65  ? -16.843 -10.666 -17.126 1.00 15.06 ? 71  TYR B CE1 1 
ATOM   564  C CE2 . TYR A 1 65  ? -15.917 -8.538  -17.712 1.00 13.93 ? 71  TYR B CE2 1 
ATOM   565  C CZ  . TYR A 1 65  ? -16.640 -9.321  -16.842 1.00 14.50 ? 71  TYR B CZ  1 
ATOM   566  O OH  . TYR A 1 65  ? -17.126 -8.795  -15.666 1.00 15.99 ? 71  TYR B OH  1 
ATOM   567  N N   . TRP A 1 66  ? -17.966 -9.579  -21.427 1.00 11.62 ? 72  TRP B N   1 
ATOM   568  C CA  . TRP A 1 66  ? -18.555 -8.225  -21.487 1.00 11.87 ? 72  TRP B CA  1 
ATOM   569  C C   . TRP A 1 66  ? -19.441 -7.975  -20.254 1.00 12.04 ? 72  TRP B C   1 
ATOM   570  O O   . TRP A 1 66  ? -19.787 -8.940  -19.530 1.00 12.65 ? 72  TRP B O   1 
ATOM   571  C CB  . TRP A 1 66  ? -19.304 -8.013  -22.830 1.00 11.99 ? 72  TRP B CB  1 
ATOM   572  C CG  . TRP A 1 66  ? -20.467 -8.910  -23.101 1.00 10.95 ? 72  TRP B CG  1 
ATOM   573  C CD1 . TRP A 1 66  ? -21.802 -8.632  -22.907 1.00 11.22 ? 72  TRP B CD1 1 
ATOM   574  C CD2 . TRP A 1 66  ? -20.452 -10.230 -23.646 1.00 11.87 ? 72  TRP B CD2 1 
ATOM   575  N NE1 . TRP A 1 66  ? -22.590 -9.687  -23.268 1.00 11.63 ? 72  TRP B NE1 1 
ATOM   576  C CE2 . TRP A 1 66  ? -21.791 -10.670 -23.755 1.00 11.84 ? 72  TRP B CE2 1 
ATOM   577  C CE3 . TRP A 1 66  ? -19.434 -11.110 -24.056 1.00 13.61 ? 72  TRP B CE3 1 
ATOM   578  C CZ2 . TRP A 1 66  ? -22.132 -11.906 -24.249 1.00 12.18 ? 72  TRP B CZ2 1 
ATOM   579  C CZ3 . TRP A 1 66  ? -19.778 -12.319 -24.607 1.00 15.49 ? 72  TRP B CZ3 1 
ATOM   580  C CH2 . TRP A 1 66  ? -21.102 -12.731 -24.667 1.00 13.72 ? 72  TRP B CH2 1 
ATOM   581  N N   . GLU A 1 67  ? -19.850 -6.719  -20.081 1.00 11.25 ? 73  GLU B N   1 
ATOM   582  C CA  . GLU A 1 67  ? -20.671 -6.280  -18.913 1.00 11.40 ? 73  GLU B CA  1 
ATOM   583  C C   . GLU A 1 67  ? -21.878 -5.490  -19.365 1.00 10.93 ? 73  GLU B C   1 
ATOM   584  O O   . GLU A 1 67  ? -21.821 -4.774  -20.354 1.00 11.72 ? 73  GLU B O   1 
ATOM   585  C CB  . GLU A 1 67  ? -19.867 -5.444  -17.920 1.00 13.16 ? 73  GLU B CB  1 
ATOM   586  C CG  . GLU A 1 67  ? -18.786 -6.272  -17.231 1.00 15.40 ? 73  GLU B CG  1 
ATOM   587  C CD  . GLU A 1 67  ? -17.892 -5.536  -16.258 1.00 18.76 ? 73  GLU B CD  1 
ATOM   588  O OE1 . GLU A 1 67  ? -18.047 -4.294  -16.172 1.00 22.35 ? 73  GLU B OE1 1 
ATOM   589  O OE2 . GLU A 1 67  ? -17.036 -6.223  -15.573 1.00 17.77 ? 73  GLU B OE2 1 
ATOM   590  N N   . VAL A 1 68  ? -22.994 -5.740  -18.676 1.00 11.54 ? 74  VAL B N   1 
ATOM   591  C CA  . VAL A 1 68  ? -24.272 -5.073  -18.975 1.00 11.05 ? 74  VAL B CA  1 
ATOM   592  C C   . VAL A 1 68  ? -24.811 -4.400  -17.735 1.00 10.62 ? 74  VAL B C   1 
ATOM   593  O O   . VAL A 1 68  ? -24.943 -5.056  -16.688 1.00 11.75 ? 74  VAL B O   1 
ATOM   594  C CB  . VAL A 1 68  ? -25.286 -6.063  -19.569 1.00 11.24 ? 74  VAL B CB  1 
ATOM   595  C CG1 . VAL A 1 68  ? -26.524 -5.313  -20.026 1.00 12.13 ? 74  VAL B CG1 1 
ATOM   596  C CG2 . VAL A 1 68  ? -24.676 -6.927  -20.664 1.00 12.52 ? 74  VAL B CG2 1 
ATOM   597  N N   . ASP A 1 69  ? -25.254 -3.136  -17.882 1.00 11.29 ? 75  ASP B N   1 
ATOM   598  C CA  . ASP A 1 69  ? -25.953 -2.376  -16.814 1.00 13.16 ? 75  ASP B CA  1 
ATOM   599  C C   . ASP A 1 69  ? -27.446 -2.659  -16.876 1.00 11.32 ? 75  ASP B C   1 
ATOM   600  O O   . ASP A 1 69  ? -28.056 -2.509  -17.976 1.00 12.45 ? 75  ASP B O   1 
ATOM   601  C CB  . ASP A 1 69  ? -25.666 -0.871  -16.960 1.00 14.72 ? 75  ASP B CB  1 
ATOM   602  C CG  . ASP A 1 69  ? -26.060 -0.055  -15.720 1.00 17.50 ? 75  ASP B CG  1 
ATOM   603  O OD1 . ASP A 1 69  ? -27.225 -0.064  -15.372 1.00 16.56 ? 75  ASP B OD1 1 
ATOM   604  O OD2 . ASP A 1 69  ? -25.137 0.380   -14.976 1.00 21.59 ? 75  ASP B OD2 1 
ATOM   605  N N   . VAL A 1 70  ? -27.990 -3.088  -15.745 1.00 11.94 ? 76  VAL B N   1 
ATOM   606  C CA  . VAL A 1 70  ? -29.438 -3.427  -15.572 1.00 12.33 ? 76  VAL B CA  1 
ATOM   607  C C   . VAL A 1 70  ? -30.119 -2.526  -14.519 1.00 12.57 ? 76  VAL B C   1 
ATOM   608  O O   . VAL A 1 70  ? -31.174 -2.864  -14.012 1.00 13.15 ? 76  VAL B O   1 
ATOM   609  C CB  . VAL A 1 70  ? -29.598 -4.932  -15.251 1.00 12.26 ? 76  VAL B CB  1 
ATOM   610  C CG1 . VAL A 1 70  ? -29.025 -5.817  -16.384 1.00 12.32 ? 76  VAL B CG1 1 
ATOM   611  C CG2 . VAL A 1 70  ? -28.977 -5.315  -13.924 1.00 12.54 ? 76  VAL B CG2 1 
ATOM   612  N N   . THR A 1 71  ? -29.490 -1.411  -14.174 1.00 12.55 ? 77  THR B N   1 
ATOM   613  C CA  . THR A 1 71  ? -30.000 -0.489  -13.138 1.00 14.32 ? 77  THR B CA  1 
ATOM   614  C C   . THR A 1 71  ? -31.483 -0.166  -13.371 1.00 13.61 ? 77  THR B C   1 
ATOM   615  O O   . THR A 1 71  ? -31.891 0.175   -14.496 1.00 14.37 ? 77  THR B O   1 
ATOM   616  C CB  . THR A 1 71  ? -29.190 0.806   -13.146 1.00 14.86 ? 77  THR B CB  1 
ATOM   617  O OG1 . THR A 1 71  ? -27.818 0.520   -12.837 1.00 18.58 ? 77  THR B OG1 1 
ATOM   618  C CG2 . THR A 1 71  ? -29.762 1.778   -12.123 1.00 18.66 ? 77  THR B CG2 1 
ATOM   619  N N   . GLN A 1 72  ? -32.233 -0.264  -12.292 1.00 14.62 ? 78  GLN B N   1 
ATOM   620  C CA  . GLN A 1 72  ? -33.668 0.100   -12.122 1.00 16.99 ? 78  GLN B CA  1 
ATOM   621  C C   . GLN A 1 72  ? -34.613 -0.761  -12.960 1.00 18.09 ? 78  GLN B C   1 
ATOM   622  O O   . GLN A 1 72  ? -35.822 -0.500  -12.927 1.00 20.76 ? 78  GLN B O   1 
ATOM   623  C CB  . GLN A 1 72  ? -33.918 1.589   -12.376 1.00 24.61 ? 78  GLN B CB  1 
ATOM   624  C CG  . GLN A 1 72  ? -33.669 2.118   -13.768 1.00 34.27 ? 78  GLN B CG  1 
ATOM   625  C CD  . GLN A 1 72  ? -34.311 3.460   -14.100 1.00 39.71 ? 78  GLN B CD  1 
ATOM   626  O OE1 . GLN A 1 72  ? -33.632 4.387   -14.551 1.00 43.37 ? 78  GLN B OE1 1 
ATOM   627  N NE2 . GLN A 1 72  ? -35.637 3.529   -14.051 1.00 47.54 ? 78  GLN B NE2 1 
ATOM   628  N N   . LYS A 1 73  ? -34.179 -1.822  -13.603 1.00 12.98 ? 79  LYS B N   1 
ATOM   629  C CA  . LYS A 1 73  ? -35.112 -2.672  -14.336 1.00 12.47 ? 79  LYS B CA  1 
ATOM   630  C C   . LYS A 1 73  ? -35.831 -3.663  -13.422 1.00 11.99 ? 79  LYS B C   1 
ATOM   631  O O   . LYS A 1 73  ? -35.223 -4.181  -12.436 1.00 14.14 ? 79  LYS B O   1 
ATOM   632  C CB  . LYS A 1 73  ? -34.358 -3.373  -15.475 1.00 12.95 ? 79  LYS B CB  1 
ATOM   633  C CG  . LYS A 1 73  ? -33.902 -2.393  -16.580 1.00 13.77 ? 79  LYS B CG  1 
ATOM   634  C CD  . LYS A 1 73  ? -33.429 -3.011  -17.848 1.00 14.88 ? 79  LYS B CD  1 
ATOM   635  C CE  . LYS A 1 73  ? -34.522 -3.705  -18.649 1.00 13.11 ? 79  LYS B CE  1 
ATOM   636  N NZ  . LYS A 1 73  ? -35.702 -2.846  -18.979 1.00 10.90 ? 79  LYS B NZ  1 
ATOM   637  N N   . GLU A 1 74  ? -37.037 -4.017  -13.774 1.00 10.45 ? 80  GLU B N   1 
ATOM   638  C CA  . GLU A 1 74  ? -37.845 -5.032  -13.114 1.00 10.38 ? 80  GLU B CA  1 
ATOM   639  C C   . GLU A 1 74  ? -37.766 -6.400  -13.809 1.00 9.87  ? 80  GLU B C   1 
ATOM   640  O O   . GLU A 1 74  ? -38.142 -7.414  -13.229 1.00 10.77 ? 80  GLU B O   1 
ATOM   641  C CB  . GLU A 1 74  ? -39.322 -4.603  -13.071 1.00 11.24 ? 80  GLU B CB  1 
ATOM   642  C CG  . GLU A 1 74  ? -39.614 -3.338  -12.308 1.00 12.76 ? 80  GLU B CG  1 
ATOM   643  C CD  . GLU A 1 74  ? -41.075 -2.902  -12.412 1.00 13.22 ? 80  GLU B CD  1 
ATOM   644  O OE1 . GLU A 1 74  ? -41.499 -2.078  -11.556 1.00 15.56 ? 80  GLU B OE1 1 
ATOM   645  O OE2 . GLU A 1 74  ? -41.795 -3.405  -13.286 1.00 13.90 ? 80  GLU B OE2 1 
ATOM   646  N N   . ALA A 1 75  ? -37.436 -6.447  -15.104 1.00 9.68  ? 81  ALA B N   1 
ATOM   647  C CA  . ALA A 1 75  ? -37.434 -7.684  -15.877 1.00 9.33  ? 81  ALA B CA  1 
ATOM   648  C C   . ALA A 1 75  ? -36.468 -7.551  -17.046 1.00 10.10 ? 81  ALA B C   1 
ATOM   649  O O   . ALA A 1 75  ? -36.404 -6.490  -17.687 1.00 9.88  ? 81  ALA B O   1 
ATOM   650  C CB  . ALA A 1 75  ? -38.813 -7.982  -16.381 1.00 10.67 ? 81  ALA B CB  1 
ATOM   651  N N   . TRP A 1 76  ? -35.729 -8.626  -17.320 1.00 9.90  ? 82  TRP B N   1 
ATOM   652  C CA  . TRP A 1 76  ? -34.731 -8.713  -18.429 1.00 9.46  ? 82  TRP B CA  1 
ATOM   653  C C   . TRP A 1 76  ? -34.229 -10.122 -18.515 1.00 9.76  ? 82  TRP B C   1 
ATOM   654  O O   . TRP A 1 76  ? -34.333 -10.873 -17.552 1.00 10.55 ? 82  TRP B O   1 
ATOM   655  C CB  . TRP A 1 76  ? -33.563 -7.738  -18.223 1.00 9.85  ? 82  TRP B CB  1 
ATOM   656  C CG  . TRP A 1 76  ? -32.885 -7.759  -16.894 1.00 10.13 ? 82  TRP B CG  1 
ATOM   657  C CD1 . TRP A 1 76  ? -33.096 -6.913  -15.852 1.00 11.41 ? 82  TRP B CD1 1 
ATOM   658  C CD2 . TRP A 1 76  ? -31.931 -8.702  -16.352 1.00 10.27 ? 82  TRP B CD2 1 
ATOM   659  N NE1 . TRP A 1 76  ? -32.353 -7.205  -14.764 1.00 11.51 ? 82  TRP B NE1 1 
ATOM   660  C CE2 . TRP A 1 76  ? -31.630 -8.351  -15.021 1.00 11.54 ? 82  TRP B CE2 1 
ATOM   661  C CE3 . TRP A 1 76  ? -31.315 -9.859  -16.879 1.00 10.77 ? 82  TRP B CE3 1 
ATOM   662  C CZ2 . TRP A 1 76  ? -30.696 -9.022  -14.241 1.00 10.95 ? 82  TRP B CZ2 1 
ATOM   663  C CZ3 . TRP A 1 76  ? -30.408 -10.551 -16.102 1.00 11.26 ? 82  TRP B CZ3 1 
ATOM   664  C CH2 . TRP A 1 76  ? -30.102 -10.135 -14.800 1.00 11.83 ? 82  TRP B CH2 1 
ATOM   665  N N   . ASP A 1 77  ? -33.690 -10.447 -19.681 1.00 9.35  ? 83  ASP B N   1 
ATOM   666  C CA  . ASP A 1 77  ? -32.925 -11.698 -19.896 1.00 10.15 ? 83  ASP B CA  1 
ATOM   667  C C   . ASP A 1 77  ? -31.559 -11.287 -20.462 1.00 9.93  ? 83  ASP B C   1 
ATOM   668  O O   . ASP A 1 77  ? -31.529 -10.407 -21.351 1.00 9.86  ? 83  ASP B O   1 
ATOM   669  C CB  . ASP A 1 77  ? -33.609 -12.665 -20.864 1.00 11.61 ? 83  ASP B CB  1 
ATOM   670  C CG  . ASP A 1 77  ? -35.100 -12.891 -20.726 1.00 13.79 ? 83  ASP B CG  1 
ATOM   671  O OD1 . ASP A 1 77  ? -35.529 -12.922 -19.628 1.00 17.24 ? 83  ASP B OD1 1 
ATOM   672  O OD2 . ASP A 1 77  ? -35.780 -13.104 -21.787 1.00 16.10 ? 83  ASP B OD2 1 
ATOM   673  N N   . LEU A 1 78  ? -30.495 -12.006 -20.124 1.00 9.22  ? 84  LEU B N   1 
ATOM   674  C CA  . LEU A 1 78  ? -29.140 -11.766 -20.656 1.00 9.49  ? 84  LEU B CA  1 
ATOM   675  C C   . LEU A 1 78  ? -28.422 -13.102 -20.838 1.00 8.83  ? 84  LEU B C   1 
ATOM   676  O O   . LEU A 1 78  ? -28.539 -13.998 -20.031 1.00 9.28  ? 84  LEU B O   1 
ATOM   677  C CB  . LEU A 1 78  ? -28.336 -10.915 -19.686 1.00 9.74  ? 84  LEU B CB  1 
ATOM   678  C CG  . LEU A 1 78  ? -28.675 -9.442  -19.577 1.00 11.44 ? 84  LEU B CG  1 
ATOM   679  C CD1 . LEU A 1 78  ? -27.837 -8.818  -18.456 1.00 12.31 ? 84  LEU B CD1 1 
ATOM   680  C CD2 . LEU A 1 78  ? -28.459 -8.766  -20.899 1.00 11.38 ? 84  LEU B CD2 1 
ATOM   681  N N   . GLY A 1 79  ? -27.589 -13.143 -21.872 1.00 8.48  ? 85  GLY B N   1 
ATOM   682  C CA  . GLY A 1 79  ? -26.607 -14.219 -22.025 1.00 9.06  ? 85  GLY B CA  1 
ATOM   683  C C   . GLY A 1 79  ? -26.084 -14.274 -23.430 1.00 8.23  ? 85  GLY B C   1 
ATOM   684  O O   . GLY A 1 79  ? -25.694 -13.249 -23.991 1.00 9.14  ? 85  GLY B O   1 
ATOM   685  N N   A VAL A 1 80  ? -26.022 -15.508 -23.943 0.25 8.88  ? 86  VAL B N   1 
ATOM   686  N N   B VAL A 1 80  ? -26.056 -15.476 -23.983 0.25 8.92  ? 86  VAL B N   1 
ATOM   687  C CA  A VAL A 1 80  ? -25.629 -15.815 -25.351 0.25 9.14  ? 86  VAL B CA  1 
ATOM   688  C CA  B VAL A 1 80  ? -25.490 -15.735 -25.338 0.25 9.19  ? 86  VAL B CA  1 
ATOM   689  C C   A VAL A 1 80  ? -26.602 -16.797 -25.977 0.25 9.34  ? 86  VAL B C   1 
ATOM   690  C C   B VAL A 1 80  ? -26.384 -16.819 -25.963 0.25 9.44  ? 86  VAL B C   1 
ATOM   691  O O   A VAL A 1 80  ? -27.311 -17.530 -25.293 0.25 9.70  ? 86  VAL B O   1 
ATOM   692  O O   B VAL A 1 80  ? -26.953 -17.584 -25.197 0.25 9.67  ? 86  VAL B O   1 
ATOM   693  C CB  A VAL A 1 80  ? -24.211 -16.399 -25.494 0.25 9.90  ? 86  VAL B CB  1 
ATOM   694  C CB  B VAL A 1 80  ? -23.991 -16.103 -25.196 0.25 9.76  ? 86  VAL B CB  1 
ATOM   695  C CG1 A VAL A 1 80  ? -23.189 -15.362 -25.121 0.25 10.05 ? 86  VAL B CG1 1 
ATOM   696  C CG1 B VAL A 1 80  ? -23.832 -17.464 -24.546 0.25 9.76  ? 86  VAL B CG1 1 
ATOM   697  C CG2 A VAL A 1 80  ? -24.023 -17.685 -24.709 0.25 9.65  ? 86  VAL B CG2 1 
ATOM   698  C CG2 B VAL A 1 80  ? -23.214 -16.025 -26.506 0.25 10.28 ? 86  VAL B CG2 1 
ATOM   699  N N   . CYS A 1 81  ? -26.551 -16.832 -27.295 1.00 9.49  ? 87  CYS B N   1 
ATOM   700  C CA  . CYS A 1 81  ? -27.367 -17.802 -28.007 1.00 10.30 ? 87  CYS B CA  1 
ATOM   701  C C   . CYS A 1 81  ? -26.696 -18.219 -29.314 1.00 10.11 ? 87  CYS B C   1 
ATOM   702  O O   . CYS A 1 81  ? -25.820 -17.503 -29.827 1.00 10.08 ? 87  CYS B O   1 
ATOM   703  C CB  . CYS A 1 81  ? -28.769 -17.256 -28.265 1.00 11.72 ? 87  CYS B CB  1 
ATOM   704  S SG  . CYS A 1 81  ? -28.876 -15.854 -29.401 1.00 11.85 ? 87  CYS B SG  1 
ATOM   705  N N   A ARG A 1 82  ? -27.151 -19.332 -29.849 0.25 9.81  ? 88  ARG B N   1 
ATOM   706  N N   B ARG A 1 82  ? -27.132 -19.354 -29.850 0.25 10.72 ? 88  ARG B N   1 
ATOM   707  C CA  A ARG A 1 82  ? -26.721 -19.707 -31.214 0.25 10.19 ? 88  ARG B CA  1 
ATOM   708  C CA  B ARG A 1 82  ? -26.708 -19.808 -31.206 0.25 11.75 ? 88  ARG B CA  1 
ATOM   709  C C   A ARG A 1 82  ? -27.144 -18.647 -32.225 0.25 10.66 ? 88  ARG B C   1 
ATOM   710  C C   B ARG A 1 82  ? -27.213 -18.821 -32.270 0.25 11.64 ? 88  ARG B C   1 
ATOM   711  O O   A ARG A 1 82  ? -28.179 -18.003 -32.103 0.25 10.26 ? 88  ARG B O   1 
ATOM   712  O O   B ARG A 1 82  ? -28.426 -18.417 -32.195 0.25 10.95 ? 88  ARG B O   1 
ATOM   713  C CB  A ARG A 1 82  ? -27.357 -21.033 -31.595 0.25 10.37 ? 88  ARG B CB  1 
ATOM   714  C CB  B ARG A 1 82  ? -27.269 -21.211 -31.461 0.25 13.34 ? 88  ARG B CB  1 
ATOM   715  C CG  A ARG A 1 82  ? -26.954 -22.154 -30.654 0.25 10.37 ? 88  ARG B CG  1 
ATOM   716  C CG  B ARG A 1 82  ? -26.573 -21.997 -32.565 0.25 14.44 ? 88  ARG B CG  1 
ATOM   717  C CD  A ARG A 1 82  ? -27.456 -23.483 -31.148 0.25 10.80 ? 88  ARG B CD  1 
ATOM   718  C CD  B ARG A 1 82  ? -27.107 -23.409 -32.759 0.25 14.74 ? 88  ARG B CD  1 
ATOM   719  N NE  A ARG A 1 82  ? -27.124 -24.564 -30.216 0.25 9.53  ? 88  ARG B NE  1 
ATOM   720  N NE  B ARG A 1 82  ? -26.953 -24.216 -31.567 0.25 15.03 ? 88  ARG B NE  1 
ATOM   721  C CZ  A ARG A 1 82  ? -27.960 -25.536 -29.905 0.25 10.22 ? 88  ARG B CZ  1 
ATOM   722  C CZ  B ARG A 1 82  ? -27.945 -24.811 -30.905 0.25 14.84 ? 88  ARG B CZ  1 
ATOM   723  N NH1 A ARG A 1 82  ? -29.169 -25.548 -30.428 0.25 10.53 ? 88  ARG B NH1 1 
ATOM   724  N NH1 B ARG A 1 82  ? -29.183 -24.752 -31.349 0.25 16.47 ? 88  ARG B NH1 1 
ATOM   725  N NH2 A ARG A 1 82  ? -27.583 -26.473 -29.057 0.25 10.96 ? 88  ARG B NH2 1 
ATOM   726  N NH2 B ARG A 1 82  ? -27.681 -25.503 -29.817 0.25 14.79 ? 88  ARG B NH2 1 
ATOM   727  N N   . ASP A 1 83  ? -26.365 -18.518 -33.279 1.00 12.00 ? 89  ASP B N   1 
ATOM   728  C CA  . ASP A 1 83  ? -26.766 -17.654 -34.407 1.00 14.15 ? 89  ASP B CA  1 
ATOM   729  C C   . ASP A 1 83  ? -28.049 -18.191 -35.021 1.00 14.61 ? 89  ASP B C   1 
ATOM   730  O O   . ASP A 1 83  ? -28.793 -17.337 -35.580 1.00 17.55 ? 89  ASP B O   1 
ATOM   731  C CB  . ASP A 1 83  ? -25.648 -17.572 -35.433 1.00 16.88 ? 89  ASP B CB  1 
ATOM   732  C CG  . ASP A 1 83  ? -25.207 -18.851 -36.074 1.00 21.51 ? 89  ASP B CG  1 
ATOM   733  O OD1 . ASP A 1 83  ? -25.663 -19.966 -35.656 1.00 27.06 ? 89  ASP B OD1 1 
ATOM   734  O OD2 . ASP A 1 83  ? -24.404 -18.709 -37.066 1.00 28.30 ? 89  ASP B OD2 1 
ATOM   735  N N   . SER A 1 84  ? -28.332 -19.479 -34.979 1.00 13.68 ? 90  SER B N   1 
ATOM   736  C CA  . SER A 1 84  ? -29.472 -20.138 -35.655 1.00 15.92 ? 90  SER B CA  1 
ATOM   737  C C   . SER A 1 84  ? -30.743 -20.239 -34.794 1.00 14.72 ? 90  SER B C   1 
ATOM   738  O O   . SER A 1 84  ? -31.653 -20.939 -35.152 1.00 15.46 ? 90  SER B O   1 
ATOM   739  C CB  . SER A 1 84  ? -28.996 -21.547 -36.111 1.00 17.60 ? 90  SER B CB  1 
ATOM   740  O OG  . SER A 1 84  ? -28.553 -22.285 -35.031 1.00 20.02 ? 90  SER B OG  1 
ATOM   741  N N   . VAL A 1 85  ? -30.804 -19.578 -33.625 1.00 12.48 ? 91  VAL B N   1 
ATOM   742  C CA  . VAL A 1 85  ? -32.055 -19.597 -32.847 1.00 12.76 ? 91  VAL B CA  1 
ATOM   743  C C   . VAL A 1 85  ? -33.253 -19.093 -33.678 1.00 11.56 ? 91  VAL B C   1 
ATOM   744  O O   . VAL A 1 85  ? -33.136 -18.158 -34.466 1.00 13.40 ? 91  VAL B O   1 
ATOM   745  C CB  . VAL A 1 85  ? -31.974 -18.850 -31.496 1.00 12.20 ? 91  VAL B CB  1 
ATOM   746  C CG1 . VAL A 1 85  ? -30.972 -19.547 -30.571 1.00 11.99 ? 91  VAL B CG1 1 
ATOM   747  C CG2 . VAL A 1 85  ? -31.733 -17.381 -31.621 1.00 12.53 ? 91  VAL B CG2 1 
ATOM   748  N N   . GLN A 1 86  ? -34.384 -19.716 -33.381 1.00 12.73 ? 92  GLN B N   1 
ATOM   749  C CA  . GLN A 1 86  ? -35.737 -19.299 -33.863 1.00 14.04 ? 92  GLN B CA  1 
ATOM   750  C C   . GLN A 1 86  ? -35.958 -17.825 -33.517 1.00 13.47 ? 92  GLN B C   1 
ATOM   751  O O   . GLN A 1 86  ? -35.669 -17.415 -32.388 1.00 14.88 ? 92  GLN B O   1 
ATOM   752  C CB  . GLN A 1 86  ? -36.773 -20.212 -33.207 1.00 16.98 ? 92  GLN B CB  1 
ATOM   753  C CG  . GLN A 1 86  ? -38.261 -19.877 -33.414 1.00 19.98 ? 92  GLN B CG  1 
ATOM   754  C CD  . GLN A 1 86  ? -39.148 -20.692 -32.474 1.00 25.70 ? 92  GLN B CD  1 
ATOM   755  O OE1 . GLN A 1 86  ? -38.734 -21.705 -31.853 1.00 27.41 ? 92  GLN B OE1 1 
ATOM   756  N NE2 . GLN A 1 86  ? -40.422 -20.294 -32.363 1.00 27.87 ? 92  GLN B NE2 1 
ATOM   757  N N   . ARG A 1 87  ? -36.487 -17.065 -34.445 1.00 13.18 ? 93  ARG B N   1 
ATOM   758  C CA  . ARG A 1 87  ? -36.786 -15.617 -34.274 1.00 11.49 ? 93  ARG B CA  1 
ATOM   759  C C   . ARG A 1 87  ? -38.294 -15.403 -34.122 1.00 12.80 ? 93  ARG B C   1 
ATOM   760  O O   . ARG A 1 87  ? -38.653 -14.375 -33.531 1.00 12.87 ? 93  ARG B O   1 
ATOM   761  C CB  . ARG A 1 87  ? -36.276 -14.783 -35.432 1.00 12.53 ? 93  ARG B CB  1 
ATOM   762  C CG  . ARG A 1 87  ? -34.812 -15.010 -35.745 1.00 12.12 ? 93  ARG B CG  1 
ATOM   763  C CD  . ARG A 1 87  ? -33.859 -14.776 -34.547 1.00 12.75 ? 93  ARG B CD  1 
ATOM   764  N NE  . ARG A 1 87  ? -32.462 -15.236 -34.837 1.00 14.01 ? 93  ARG B NE  1 
ATOM   765  C CZ  . ARG A 1 87  ? -31.570 -14.530 -35.488 1.00 13.61 ? 93  ARG B CZ  1 
ATOM   766  N NH1 . ARG A 1 87  ? -31.825 -13.297 -35.846 1.00 16.52 ? 93  ARG B NH1 1 
ATOM   767  N NH2 . ARG A 1 87  ? -30.386 -15.033 -35.790 1.00 17.40 ? 93  ARG B NH2 1 
ATOM   768  N N   . LYS A 1 88  ? -39.150 -16.243 -34.708 1.00 12.99 ? 94  LYS B N   1 
ATOM   769  C CA  . LYS A 1 88  ? -40.596 -15.953 -34.849 1.00 13.53 ? 94  LYS B CA  1 
ATOM   770  C C   . LYS A 1 88  ? -41.425 -16.792 -33.917 1.00 14.85 ? 94  LYS B C   1 
ATOM   771  O O   . LYS A 1 88  ? -41.092 -17.989 -33.686 1.00 16.28 ? 94  LYS B O   1 
ATOM   772  C CB  . LYS A 1 88  ? -41.017 -16.151 -36.300 1.00 13.77 ? 94  LYS B CB  1 
ATOM   773  C CG  . LYS A 1 88  ? -40.169 -15.419 -37.298 1.00 13.91 ? 94  LYS B CG  1 
ATOM   774  C CD  . LYS A 1 88  ? -40.079 -13.883 -37.102 1.00 14.75 ? 94  LYS B CD  1 
ATOM   775  C CE  . LYS A 1 88  ? -39.279 -13.241 -38.182 1.00 15.05 ? 94  LYS B CE  1 
ATOM   776  N NZ  . LYS A 1 88  ? -39.234 -11.754 -38.037 1.00 14.73 ? 94  LYS B NZ  1 
ATOM   777  N N   . GLY A 1 89  ? -42.490 -16.247 -33.370 1.00 15.00 ? 95  GLY B N   1 
ATOM   778  C CA  . GLY A 1 89  ? -43.393 -17.009 -32.518 1.00 15.15 ? 95  GLY B CA  1 
ATOM   779  C C   . GLY A 1 89  ? -42.896 -17.207 -31.091 1.00 16.23 ? 95  GLY B C   1 
ATOM   780  O O   . GLY A 1 89  ? -41.902 -16.530 -30.663 1.00 15.95 ? 95  GLY B O   1 
ATOM   781  N N   . GLN A 1 90  ? -43.582 -18.066 -30.342 1.00 17.21 ? 96  GLN B N   1 
ATOM   782  C CA  . GLN A 1 90  ? -43.306 -18.358 -28.928 1.00 17.83 ? 96  GLN B CA  1 
ATOM   783  C C   . GLN A 1 90  ? -42.237 -19.453 -28.806 1.00 17.03 ? 96  GLN B C   1 
ATOM   784  O O   . GLN A 1 90  ? -42.148 -20.363 -29.667 1.00 17.75 ? 96  GLN B O   1 
ATOM   785  C CB  . GLN A 1 90  ? -44.606 -18.786 -28.241 1.00 21.00 ? 96  GLN B CB  1 
ATOM   786  C CG  . GLN A 1 90  ? -45.562 -17.615 -28.189 1.00 29.49 ? 96  GLN B CG  1 
ATOM   787  C CD  . GLN A 1 90  ? -46.941 -17.999 -27.750 1.00 38.02 ? 96  GLN B CD  1 
ATOM   788  O OE1 . GLN A 1 90  ? -47.286 -17.861 -26.578 1.00 48.27 ? 96  GLN B OE1 1 
ATOM   789  N NE2 . GLN A 1 90  ? -47.720 -18.500 -28.698 1.00 45.93 ? 96  GLN B NE2 1 
ATOM   790  N N   . PHE A 1 91  ? -41.368 -19.286 -27.822 1.00 15.18 ? 97  PHE B N   1 
ATOM   791  C CA  . PHE A 1 91  ? -40.354 -20.291 -27.449 1.00 15.04 ? 97  PHE B CA  1 
ATOM   792  C C   . PHE A 1 91  ? -39.844 -20.040 -26.045 1.00 14.93 ? 97  PHE B C   1 
ATOM   793  O O   . PHE A 1 91  ? -39.968 -18.911 -25.504 1.00 16.76 ? 97  PHE B O   1 
ATOM   794  C CB  . PHE A 1 91  ? -39.180 -20.253 -28.423 1.00 14.68 ? 97  PHE B CB  1 
ATOM   795  C CG  . PHE A 1 91  ? -38.536 -18.894 -28.578 1.00 14.61 ? 97  PHE B CG  1 
ATOM   796  C CD1 . PHE A 1 91  ? -37.539 -18.498 -27.695 1.00 15.27 ? 97  PHE B CD1 1 
ATOM   797  C CD2 . PHE A 1 91  ? -38.873 -18.030 -29.621 1.00 14.64 ? 97  PHE B CD2 1 
ATOM   798  C CE1 . PHE A 1 91  ? -36.881 -17.295 -27.848 1.00 14.85 ? 97  PHE B CE1 1 
ATOM   799  C CE2 . PHE A 1 91  ? -38.257 -16.798 -29.722 1.00 13.67 ? 97  PHE B CE2 1 
ATOM   800  C CZ  . PHE A 1 91  ? -37.253 -16.444 -28.854 1.00 14.20 ? 97  PHE B CZ  1 
ATOM   801  N N   A SER A 1 92  ? -39.290 -21.073 -25.403 0.25 16.13 ? 98  SER B N   1 
ATOM   802  N N   B SER A 1 92  ? -39.269 -21.098 -25.464 0.25 15.12 ? 98  SER B N   1 
ATOM   803  C CA  A SER A 1 92  ? -38.664 -20.919 -24.066 0.25 16.79 ? 98  SER B CA  1 
ATOM   804  C CA  B SER A 1 92  ? -38.608 -21.074 -24.138 0.25 15.17 ? 98  SER B CA  1 
ATOM   805  C C   A SER A 1 92  ? -37.147 -20.812 -24.211 0.25 15.38 ? 98  SER B C   1 
ATOM   806  C C   B SER A 1 92  ? -37.124 -20.739 -24.302 0.25 14.42 ? 98  SER B C   1 
ATOM   807  O O   A SER A 1 92  ? -36.550 -21.451 -25.099 0.25 14.63 ? 98  SER B O   1 
ATOM   808  O O   B SER A 1 92  ? -36.526 -21.109 -25.354 0.25 13.78 ? 98  SER B O   1 
ATOM   809  C CB  A SER A 1 92  ? -39.027 -22.026 -23.133 0.25 19.06 ? 98  SER B CB  1 
ATOM   810  C CB  B SER A 1 92  ? -38.807 -22.383 -23.425 0.25 15.91 ? 98  SER B CB  1 
ATOM   811  O OG  A SER A 1 92  ? -38.651 -23.263 -23.701 0.25 22.04 ? 98  SER B OG  1 
ATOM   812  O OG  B SER A 1 92  ? -40.182 -22.552 -23.094 0.25 16.88 ? 98  SER B OG  1 
ATOM   813  N N   . LEU A 1 93  ? -36.555 -20.046 -23.309 1.00 14.20 ? 99  LEU B N   1 
ATOM   814  C CA  . LEU A 1 93  ? -35.097 -19.867 -23.255 1.00 15.06 ? 99  LEU B CA  1 
ATOM   815  C C   . LEU A 1 93  ? -34.503 -21.077 -22.560 1.00 15.08 ? 99  LEU B C   1 
ATOM   816  O O   . LEU A 1 93  ? -34.621 -21.236 -21.343 1.00 16.70 ? 99  LEU B O   1 
ATOM   817  C CB  . LEU A 1 93  ? -34.708 -18.594 -22.514 1.00 15.04 ? 99  LEU B CB  1 
ATOM   818  C CG  . LEU A 1 93  ? -35.215 -17.311 -23.130 1.00 15.73 ? 99  LEU B CG  1 
ATOM   819  C CD1 . LEU A 1 93  ? -34.844 -16.132 -22.228 1.00 17.90 ? 99  LEU B CD1 1 
ATOM   820  C CD2 . LEU A 1 93  ? -34.687 -17.088 -24.537 1.00 17.88 ? 99  LEU B CD2 1 
ATOM   821  N N   . SER A 1 94  ? -33.810 -21.943 -23.312 1.00 13.68 ? 100 SER B N   1 
ATOM   822  C CA  . SER A 1 94  ? -33.222 -23.173 -22.775 1.00 13.20 ? 100 SER B CA  1 
ATOM   823  C C   . SER A 1 94  ? -32.004 -23.514 -23.612 1.00 11.89 ? 100 SER B C   1 
ATOM   824  O O   . SER A 1 94  ? -32.013 -23.189 -24.803 1.00 11.33 ? 100 SER B O   1 
ATOM   825  C CB  . SER A 1 94  ? -34.175 -24.349 -22.783 1.00 14.52 ? 100 SER B CB  1 
ATOM   826  O OG  . SER A 1 94  ? -34.498 -24.673 -24.109 1.00 18.94 ? 100 SER B OG  1 
ATOM   827  N N   . PRO A 1 95  ? -31.073 -24.317 -23.096 1.00 11.71 ? 101 PRO B N   1 
ATOM   828  C CA  . PRO A 1 95  ? -29.952 -24.783 -23.916 1.00 13.19 ? 101 PRO B CA  1 
ATOM   829  C C   . PRO A 1 95  ? -30.445 -25.662 -25.078 1.00 12.70 ? 101 PRO B C   1 
ATOM   830  O O   . PRO A 1 95  ? -29.875 -25.549 -26.181 1.00 12.99 ? 101 PRO B O   1 
ATOM   831  C CB  . PRO A 1 95  ? -29.059 -25.560 -22.924 1.00 12.94 ? 101 PRO B CB  1 
ATOM   832  C CG  . PRO A 1 95  ? -29.365 -24.855 -21.581 1.00 13.19 ? 101 PRO B CG  1 
ATOM   833  C CD  . PRO A 1 95  ? -30.842 -24.544 -21.675 1.00 13.07 ? 101 PRO B CD  1 
ATOM   834  N N   . GLU A 1 96  ? -31.530 -26.410 -24.884 1.00 13.92 ? 102 GLU B N   1 
ATOM   835  C CA  . GLU A 1 96  ? -32.073 -27.246 -25.983 1.00 16.44 ? 102 GLU B CA  1 
ATOM   836  C C   . GLU A 1 96  ? -32.481 -26.356 -27.156 1.00 15.92 ? 102 GLU B C   1 
ATOM   837  O O   . GLU A 1 96  ? -32.430 -26.787 -28.340 1.00 17.41 ? 102 GLU B O   1 
ATOM   838  C CB  . GLU A 1 96  ? -33.199 -28.111 -25.435 1.00 21.19 ? 102 GLU B CB  1 
ATOM   839  C CG  . GLU A 1 96  ? -32.769 -28.934 -24.237 1.00 30.75 ? 102 GLU B CG  1 
ATOM   840  C CD  . GLU A 1 96  ? -33.260 -28.403 -22.902 1.00 37.06 ? 102 GLU B CD  1 
ATOM   841  O OE1 . GLU A 1 96  ? -32.548 -27.558 -22.278 1.00 23.04 ? 102 GLU B OE1 1 
ATOM   842  O OE2 . GLU A 1 96  ? -34.383 -28.843 -22.492 1.00 46.93 ? 102 GLU B OE2 1 
ATOM   843  N N   . ASN A 1 97  ? -32.976 -25.138 -26.904 1.00 12.97 ? 103 ASN B N   1 
ATOM   844  C CA  . ASN A 1 97  ? -33.376 -24.179 -27.954 1.00 13.62 ? 103 ASN B CA  1 
ATOM   845  C C   . ASN A 1 97  ? -32.240 -23.247 -28.357 1.00 13.16 ? 103 ASN B C   1 
ATOM   846  O O   . ASN A 1 97  ? -32.441 -22.416 -29.242 1.00 13.93 ? 103 ASN B O   1 
ATOM   847  C CB  . ASN A 1 97  ? -34.599 -23.356 -27.523 1.00 14.63 ? 103 ASN B CB  1 
ATOM   848  C CG  . ASN A 1 97  ? -35.886 -24.132 -27.523 1.00 17.38 ? 103 ASN B CG  1 
ATOM   849  O OD1 . ASN A 1 97  ? -35.969 -25.196 -28.163 1.00 19.45 ? 103 ASN B OD1 1 
ATOM   850  N ND2 . ASN A 1 97  ? -36.865 -23.695 -26.735 1.00 18.19 ? 103 ASN B ND2 1 
ATOM   851  N N   . GLY A 1 98  ? -31.014 -23.438 -27.852 1.00 11.21 ? 104 GLY B N   1 
ATOM   852  C CA  . GLY A 1 98  ? -29.858 -22.646 -28.255 1.00 10.41 ? 104 GLY B CA  1 
ATOM   853  C C   . GLY A 1 98  ? -29.608 -21.371 -27.460 1.00 9.25  ? 104 GLY B C   1 
ATOM   854  O O   . GLY A 1 98  ? -28.948 -20.486 -27.971 1.00 10.57 ? 104 GLY B O   1 
ATOM   855  N N   . PHE A 1 99  ? -30.065 -21.344 -26.187 1.00 10.02 ? 105 PHE B N   1 
ATOM   856  C CA  . PHE A 1 99  ? -29.855 -20.157 -25.316 1.00 9.82  ? 105 PHE B CA  1 
ATOM   857  C C   . PHE A 1 99  ? -29.172 -20.533 -23.995 1.00 8.77  ? 105 PHE B C   1 
ATOM   858  O O   . PHE A 1 99  ? -29.603 -21.529 -23.393 1.00 10.88 ? 105 PHE B O   1 
ATOM   859  C CB  . PHE A 1 99  ? -31.186 -19.462 -24.961 1.00 10.79 ? 105 PHE B CB  1 
ATOM   860  C CG  . PHE A 1 99  ? -31.982 -18.988 -26.153 1.00 10.18 ? 105 PHE B CG  1 
ATOM   861  C CD1 . PHE A 1 99  ? -32.887 -19.804 -26.802 1.00 10.57 ? 105 PHE B CD1 1 
ATOM   862  C CD2 . PHE A 1 99  ? -31.862 -17.687 -26.594 1.00 10.37 ? 105 PHE B CD2 1 
ATOM   863  C CE1 . PHE A 1 99  ? -33.607 -19.322 -27.897 1.00 11.54 ? 105 PHE B CE1 1 
ATOM   864  C CE2 . PHE A 1 99  ? -32.571 -17.223 -27.679 1.00 11.64 ? 105 PHE B CE2 1 
ATOM   865  C CZ  . PHE A 1 99  ? -33.463 -18.041 -28.299 1.00 11.23 ? 105 PHE B CZ  1 
ATOM   866  N N   . TRP A 1 100 ? -28.219 -19.699 -23.577 1.00 8.67  ? 106 TRP B N   1 
ATOM   867  C CA  . TRP A 1 100 ? -27.544 -19.805 -22.265 1.00 8.93  ? 106 TRP B CA  1 
ATOM   868  C C   . TRP A 1 100 ? -27.697 -18.463 -21.564 1.00 8.69  ? 106 TRP B C   1 
ATOM   869  O O   . TRP A 1 100 ? -26.972 -17.526 -21.877 1.00 8.98  ? 106 TRP B O   1 
ATOM   870  C CB  . TRP A 1 100 ? -26.076 -20.253 -22.406 1.00 9.16  ? 106 TRP B CB  1 
ATOM   871  C CG  . TRP A 1 100 ? -25.967 -21.631 -23.024 1.00 9.35  ? 106 TRP B CG  1 
ATOM   872  C CD1 . TRP A 1 100 ? -25.912 -22.838 -22.404 1.00 11.15 ? 106 TRP B CD1 1 
ATOM   873  C CD2 . TRP A 1 100 ? -25.972 -21.924 -24.462 1.00 9.75  ? 106 TRP B CD2 1 
ATOM   874  N NE1 . TRP A 1 100 ? -25.923 -23.857 -23.345 1.00 10.84 ? 106 TRP B NE1 1 
ATOM   875  C CE2 . TRP A 1 100 ? -25.978 -23.325 -24.607 1.00 10.62 ? 106 TRP B CE2 1 
ATOM   876  C CE3 . TRP A 1 100 ? -26.041 -21.118 -25.604 1.00 10.36 ? 106 TRP B CE3 1 
ATOM   877  C CZ2 . TRP A 1 100 ? -26.036 -23.923 -25.892 1.00 10.77 ? 106 TRP B CZ2 1 
ATOM   878  C CZ3 . TRP A 1 100 ? -26.084 -21.722 -26.850 1.00 11.60 ? 106 TRP B CZ3 1 
ATOM   879  C CH2 . TRP A 1 100 ? -26.098 -23.094 -26.986 1.00 11.07 ? 106 TRP B CH2 1 
ATOM   880  N N   . THR A 1 101 ? -28.716 -18.378 -20.692 1.00 9.08  ? 107 THR B N   1 
ATOM   881  C CA  . THR A 1 101 ? -29.219 -17.063 -20.201 1.00 8.98  ? 107 THR B CA  1 
ATOM   882  C C   . THR A 1 101 ? -29.544 -17.143 -18.690 1.00 8.67  ? 107 THR B C   1 
ATOM   883  O O   . THR A 1 101 ? -29.828 -18.218 -18.169 1.00 9.36  ? 107 THR B O   1 
ATOM   884  C CB  . THR A 1 101 ? -30.472 -16.611 -20.956 1.00 9.69  ? 107 THR B CB  1 
ATOM   885  O OG1 . THR A 1 101 ? -31.537 -17.526 -20.755 1.00 10.78 ? 107 THR B OG1 1 
ATOM   886  C CG2 . THR A 1 101 ? -30.145 -16.408 -22.429 1.00 10.17 ? 107 THR B CG2 1 
ATOM   887  N N   . ILE A 1 102 ? -29.601 -15.956 -18.093 1.00 9.56  ? 108 ILE B N   1 
ATOM   888  C CA  . ILE A 1 102 ? -30.237 -15.757 -16.743 1.00 9.14  ? 108 ILE B CA  1 
ATOM   889  C C   . ILE A 1 102 ? -31.229 -14.601 -16.905 1.00 9.68  ? 108 ILE B C   1 
ATOM   890  O O   . ILE A 1 102 ? -31.194 -13.855 -17.918 1.00 9.44  ? 108 ILE B O   1 
ATOM   891  C CB  . ILE A 1 102 ? -29.214 -15.478 -15.619 1.00 9.44  ? 108 ILE B CB  1 
ATOM   892  C CG1 . ILE A 1 102 ? -28.510 -14.139 -15.800 1.00 10.04 ? 108 ILE B CG1 1 
ATOM   893  C CG2 . ILE A 1 102 ? -28.217 -16.630 -15.553 1.00 9.94  ? 108 ILE B CG2 1 
ATOM   894  C CD1 . ILE A 1 102 ? -27.703 -13.682 -14.637 1.00 10.25 ? 108 ILE B CD1 1 
ATOM   895  N N   . TRP A 1 103 ? -32.119 -14.499 -15.942 1.00 9.24  ? 109 TRP B N   1 
ATOM   896  C CA  . TRP A 1 103 ? -33.120 -13.416 -15.981 1.00 9.87  ? 109 TRP B CA  1 
ATOM   897  C C   . TRP A 1 103 ? -33.538 -12.982 -14.612 1.00 9.66  ? 109 TRP B C   1 
ATOM   898  O O   . TRP A 1 103 ? -33.352 -13.661 -13.602 1.00 10.13 ? 109 TRP B O   1 
ATOM   899  C CB  . TRP A 1 103 ? -34.330 -13.814 -16.766 1.00 11.55 ? 109 TRP B CB  1 
ATOM   900  C CG  . TRP A 1 103 ? -35.107 -14.959 -16.262 1.00 14.04 ? 109 TRP B CG  1 
ATOM   901  C CD1 . TRP A 1 103 ? -35.931 -14.967 -15.171 1.00 13.81 ? 109 TRP B CD1 1 
ATOM   902  C CD2 . TRP A 1 103 ? -35.243 -16.206 -16.906 1.00 15.14 ? 109 TRP B CD2 1 
ATOM   903  N NE1 . TRP A 1 103 ? -36.650 -16.122 -15.152 1.00 16.64 ? 109 TRP B NE1 1 
ATOM   904  C CE2 . TRP A 1 103 ? -36.220 -16.918 -16.185 1.00 15.01 ? 109 TRP B CE2 1 
ATOM   905  C CE3 . TRP A 1 103 ? -34.666 -16.770 -18.045 1.00 16.10 ? 109 TRP B CE3 1 
ATOM   906  C CZ2 . TRP A 1 103 ? -36.585 -18.216 -16.531 1.00 18.82 ? 109 TRP B CZ2 1 
ATOM   907  C CZ3 . TRP A 1 103 ? -35.061 -18.032 -18.408 1.00 17.25 ? 109 TRP B CZ3 1 
ATOM   908  C CH2 . TRP A 1 103 ? -36.004 -18.720 -17.673 1.00 17.31 ? 109 TRP B CH2 1 
ATOM   909  N N   . LEU A 1 104 ? -34.125 -11.781 -14.598 1.00 9.89  ? 110 LEU B N   1 
ATOM   910  C CA  . LEU A 1 104 ? -34.910 -11.225 -13.478 1.00 10.60 ? 110 LEU B CA  1 
ATOM   911  C C   . LEU A 1 104 ? -36.374 -11.178 -13.877 1.00 9.88  ? 110 LEU B C   1 
ATOM   912  O O   . LEU A 1 104 ? -36.690 -10.726 -14.967 1.00 9.96  ? 110 LEU B O   1 
ATOM   913  C CB  . LEU A 1 104 ? -34.459 -9.813  -13.198 1.00 10.47 ? 110 LEU B CB  1 
ATOM   914  C CG  . LEU A 1 104 ? -35.277 -9.031  -12.151 1.00 11.22 ? 110 LEU B CG  1 
ATOM   915  C CD1 . LEU A 1 104 ? -35.296 -9.682  -10.771 1.00 11.73 ? 110 LEU B CD1 1 
ATOM   916  C CD2 . LEU A 1 104 ? -34.816 -7.605  -12.061 1.00 13.19 ? 110 LEU B CD2 1 
ATOM   917  N N   . TRP A 1 105 ? -37.241 -11.655 -13.013 1.00 10.37 ? 111 TRP B N   1 
ATOM   918  C CA  . TRP A 1 105 ? -38.699 -11.622 -13.222 1.00 11.51 ? 111 TRP B CA  1 
ATOM   919  C C   . TRP A 1 105 ? -39.395 -11.681 -11.869 1.00 12.61 ? 111 TRP B C   1 
ATOM   920  O O   . TRP A 1 105 ? -39.119 -12.566 -11.042 1.00 12.97 ? 111 TRP B O   1 
ATOM   921  C CB  . TRP A 1 105 ? -39.099 -12.828 -14.042 1.00 14.19 ? 111 TRP B CB  1 
ATOM   922  C CG  . TRP A 1 105 ? -40.547 -13.056 -14.162 1.00 16.50 ? 111 TRP B CG  1 
ATOM   923  C CD1 . TRP A 1 105 ? -41.312 -14.077 -13.646 1.00 17.63 ? 111 TRP B CD1 1 
ATOM   924  C CD2 . TRP A 1 105 ? -41.419 -12.250 -14.959 1.00 16.75 ? 111 TRP B CD2 1 
ATOM   925  N NE1 . TRP A 1 105 ? -42.609 -13.910 -14.051 1.00 17.09 ? 111 TRP B NE1 1 
ATOM   926  C CE2 . TRP A 1 105 ? -42.701 -12.815 -14.878 1.00 16.35 ? 111 TRP B CE2 1 
ATOM   927  C CE3 . TRP A 1 105 ? -41.258 -11.127 -15.768 1.00 17.66 ? 111 TRP B CE3 1 
ATOM   928  C CZ2 . TRP A 1 105 ? -43.809 -12.275 -15.522 1.00 19.59 ? 111 TRP B CZ2 1 
ATOM   929  C CZ3 . TRP A 1 105 ? -42.356 -10.556 -16.376 1.00 20.76 ? 111 TRP B CZ3 1 
ATOM   930  C CH2 . TRP A 1 105 ? -43.620 -11.114 -16.247 1.00 20.08 ? 111 TRP B CH2 1 
ATOM   931  N N   . GLN A 1 106 ? -40.267 -10.695 -11.594 1.00 12.04 ? 112 GLN B N   1 
ATOM   932  C CA  . GLN A 1 106 ? -41.077 -10.719 -10.343 1.00 12.02 ? 112 GLN B CA  1 
ATOM   933  C C   . GLN A 1 106 ? -40.171 -10.878 -9.148  1.00 13.07 ? 112 GLN B C   1 
ATOM   934  O O   . GLN A 1 106 ? -40.528 -11.708 -8.243  1.00 14.48 ? 112 GLN B O   1 
ATOM   935  C CB  . GLN A 1 106 ? -42.215 -11.731 -10.465 1.00 13.94 ? 112 GLN B CB  1 
ATOM   936  C CG  . GLN A 1 106 ? -43.127 -11.439 -11.635 1.00 13.99 ? 112 GLN B CG  1 
ATOM   937  C CD  . GLN A 1 106 ? -44.399 -12.239 -11.715 1.00 16.03 ? 112 GLN B CD  1 
ATOM   938  O OE1 . GLN A 1 106 ? -45.340 -11.885 -12.464 1.00 19.60 ? 112 GLN B OE1 1 
ATOM   939  N NE2 . GLN A 1 106 ? -44.462 -13.305 -10.939 1.00 14.58 ? 112 GLN B NE2 1 
ATOM   940  N N   . ASP A 1 107 ? -39.143 -10.076 -9.043  1.00 14.17 ? 113 ASP B N   1 
ATOM   941  C CA  . ASP A 1 107 ? -38.307 -9.947  -7.834  1.00 18.54 ? 113 ASP B CA  1 
ATOM   942  C C   . ASP A 1 107 ? -37.505 -11.227 -7.575  1.00 18.48 ? 113 ASP B C   1 
ATOM   943  O O   . ASP A 1 107 ? -36.838 -11.247 -6.477  1.00 23.10 ? 113 ASP B O   1 
ATOM   944  C CB  . ASP A 1 107 ? -39.173 -9.604  -6.607  1.00 21.99 ? 113 ASP B CB  1 
ATOM   945  C CG  . ASP A 1 107 ? -38.478 -8.749  -5.578  1.00 33.02 ? 113 ASP B CG  1 
ATOM   946  O OD1 . ASP A 1 107 ? -37.484 -8.073  -5.904  1.00 35.50 ? 113 ASP B OD1 1 
ATOM   947  O OD2 . ASP A 1 107 ? -38.959 -8.760  -4.422  1.00 51.27 ? 113 ASP B OD2 1 
ATOM   948  N N   . SER A 1 108 ? -37.443 -12.172 -8.516  1.00 14.93 ? 114 SER B N   1 
ATOM   949  C CA  . SER A 1 108 ? -36.518 -13.337 -8.398  1.00 17.75 ? 114 SER B CA  1 
ATOM   950  C C   . SER A 1 108 ? -35.616 -13.489 -9.623  1.00 13.80 ? 114 SER B C   1 
ATOM   951  O O   . SER A 1 108 ? -35.982 -13.153 -10.769 1.00 14.43 ? 114 SER B O   1 
ATOM   952  C CB  . SER A 1 108 ? -37.241 -14.572 -8.010  1.00 21.88 ? 114 SER B CB  1 
ATOM   953  O OG  . SER A 1 108 ? -38.002 -15.115 -9.032  1.00 28.56 ? 114 SER B OG  1 
ATOM   954  N N   . TYR A 1 109 ? -34.440 -14.041 -9.391  1.00 12.13 ? 115 TYR B N   1 
ATOM   955  C CA  . TYR A 1 109 ? -33.435 -14.327 -10.443 1.00 11.72 ? 115 TYR B CA  1 
ATOM   956  C C   . TYR A 1 109 ? -33.422 -15.810 -10.712 1.00 11.06 ? 115 TYR B C   1 
ATOM   957  O O   . TYR A 1 109 ? -33.425 -16.614 -9.769  1.00 12.39 ? 115 TYR B O   1 
ATOM   958  C CB  . TYR A 1 109 ? -32.078 -13.815 -10.010 1.00 12.30 ? 115 TYR B CB  1 
ATOM   959  C CG  . TYR A 1 109 ? -31.985 -12.313 -9.778  1.00 12.36 ? 115 TYR B CG  1 
ATOM   960  C CD1 . TYR A 1 109 ? -32.231 -11.775 -8.517  1.00 13.43 ? 115 TYR B CD1 1 
ATOM   961  C CD2 . TYR A 1 109 ? -31.663 -11.421 -10.793 1.00 11.92 ? 115 TYR B CD2 1 
ATOM   962  C CE1 . TYR A 1 109 ? -32.143 -10.407 -8.279  1.00 13.97 ? 115 TYR B CE1 1 
ATOM   963  C CE2 . TYR A 1 109 ? -31.572 -10.061 -10.566 1.00 12.64 ? 115 TYR B CE2 1 
ATOM   964  C CZ  . TYR A 1 109 ? -31.835 -9.557  -9.310  1.00 13.10 ? 115 TYR B CZ  1 
ATOM   965  O OH  . TYR A 1 109 ? -31.786 -8.200  -9.077  1.00 14.36 ? 115 TYR B OH  1 
ATOM   966  N N   A GLU A 1 110 ? -33.408 -16.197 -11.992 0.25 10.85 ? 116 GLU B N   1 
ATOM   967  N N   B GLU A 1 110 ? -33.436 -16.186 -11.998 0.25 11.19 ? 116 GLU B N   1 
ATOM   968  C CA  A GLU A 1 110 ? -33.379 -17.631 -12.391 0.25 11.16 ? 116 GLU B CA  1 
ATOM   969  C CA  B GLU A 1 110 ? -33.436 -17.603 -12.458 0.25 11.72 ? 116 GLU B CA  1 
ATOM   970  C C   A GLU A 1 110 ? -32.485 -17.845 -13.613 0.25 10.24 ? 116 GLU B C   1 
ATOM   971  C C   B GLU A 1 110 ? -32.379 -17.791 -13.552 0.25 10.45 ? 116 GLU B C   1 
ATOM   972  O O   A GLU A 1 110 ? -32.383 -16.980 -14.476 0.25 9.94  ? 116 GLU B O   1 
ATOM   973  O O   B GLU A 1 110 ? -32.014 -16.812 -14.227 0.25 9.61  ? 116 GLU B O   1 
ATOM   974  C CB  A GLU A 1 110 ? -34.786 -18.143 -12.673 0.25 12.30 ? 116 GLU B CB  1 
ATOM   975  C CB  B GLU A 1 110 ? -34.814 -17.994 -12.985 0.25 13.45 ? 116 GLU B CB  1 
ATOM   976  C CG  A GLU A 1 110 ? -35.742 -18.003 -11.486 0.25 13.38 ? 116 GLU B CG  1 
ATOM   977  C CG  B GLU A 1 110 ? -35.937 -17.843 -11.962 0.25 15.71 ? 116 GLU B CG  1 
ATOM   978  C CD  A GLU A 1 110 ? -37.180 -18.333 -11.844 0.25 15.43 ? 116 GLU B CD  1 
ATOM   979  C CD  B GLU A 1 110 ? -36.113 -19.030 -11.031 0.25 18.05 ? 116 GLU B CD  1 
ATOM   980  O OE1 A GLU A 1 110 ? -37.622 -17.927 -12.928 0.25 16.63 ? 116 GLU B OE1 1 
ATOM   981  O OE1 B GLU A 1 110 ? -35.603 -20.118 -11.341 0.25 21.78 ? 116 GLU B OE1 1 
ATOM   982  O OE2 A GLU A 1 110 ? -37.857 -19.003 -11.051 0.25 15.35 ? 116 GLU B OE2 1 
ATOM   983  O OE2 B GLU A 1 110 ? -36.803 -18.871 -10.022 0.25 22.82 ? 116 GLU B OE2 1 
ATOM   984  N N   . ALA A 1 111 ? -31.866 -19.023 -13.677 1.00 10.28 ? 117 ALA B N   1 
ATOM   985  C CA  . ALA A 1 111 ? -31.104 -19.434 -14.871 1.00 10.50 ? 117 ALA B CA  1 
ATOM   986  C C   . ALA A 1 111 ? -32.055 -20.146 -15.811 1.00 11.02 ? 117 ALA B C   1 
ATOM   987  O O   . ALA A 1 111 ? -32.931 -20.952 -15.407 1.00 10.73 ? 117 ALA B O   1 
ATOM   988  C CB  . ALA A 1 111 ? -29.945 -20.328 -14.497 1.00 10.89 ? 117 ALA B CB  1 
ATOM   989  N N   . GLY A 1 112 ? -31.901 -19.871 -17.123 1.00 10.63 ? 118 GLY B N   1 
ATOM   990  C CA  . GLY A 1 112 ? -32.716 -20.437 -18.207 1.00 12.30 ? 118 GLY B CA  1 
ATOM   991  C C   . GLY A 1 112 ? -32.353 -21.870 -18.537 1.00 13.16 ? 118 GLY B C   1 
ATOM   992  O O   . GLY A 1 112 ? -32.006 -22.201 -19.665 1.00 15.82 ? 118 GLY B O   1 
ATOM   993  N N   . THR A 1 113 ? -32.355 -22.756 -17.578 1.00 15.26 ? 119 THR B N   1 
ATOM   994  C CA  . THR A 1 113 ? -32.408 -24.207 -17.810 1.00 15.14 ? 119 THR B CA  1 
ATOM   995  C C   . THR A 1 113 ? -33.851 -24.664 -18.038 1.00 15.31 ? 119 THR B C   1 
ATOM   996  O O   . THR A 1 113 ? -34.779 -23.892 -17.849 1.00 18.81 ? 119 THR B O   1 
ATOM   997  C CB  . THR A 1 113 ? -31.771 -24.867 -16.602 1.00 13.21 ? 119 THR B CB  1 
ATOM   998  O OG1 . THR A 1 113 ? -32.433 -24.420 -15.404 1.00 13.99 ? 119 THR B OG1 1 
ATOM   999  C CG2 . THR A 1 113 ? -30.309 -24.599 -16.424 1.00 14.37 ? 119 THR B CG2 1 
ATOM   1000 N N   . SER A 1 114 ? -34.077 -25.943 -18.396 1.00 18.15 ? 120 SER B N   1 
ATOM   1001 C CA  . SER A 1 114 ? -35.436 -26.487 -18.566 1.00 21.68 ? 120 SER B CA  1 
ATOM   1002 C C   . SER A 1 114 ? -35.610 -27.694 -17.647 1.00 23.89 ? 120 SER B C   1 
ATOM   1003 O O   . SER A 1 114 ? -34.938 -28.696 -17.844 1.00 26.10 ? 120 SER B O   1 
ATOM   1004 C CB  . SER A 1 114 ? -35.660 -26.851 -20.028 1.00 27.12 ? 120 SER B CB  1 
ATOM   1005 O OG  . SER A 1 114 ? -36.937 -27.450 -20.132 1.00 31.16 ? 120 SER B OG  1 
ATOM   1006 N N   . PRO A 1 115 ? -36.340 -27.582 -16.521 1.00 21.92 ? 121 PRO B N   1 
ATOM   1007 C CA  . PRO A 1 115 ? -36.998 -26.342 -16.099 1.00 20.70 ? 121 PRO B CA  1 
ATOM   1008 C C   . PRO A 1 115 ? -35.980 -25.356 -15.499 1.00 18.05 ? 121 PRO B C   1 
ATOM   1009 O O   . PRO A 1 115 ? -34.825 -25.723 -15.218 1.00 16.82 ? 121 PRO B O   1 
ATOM   1010 C CB  . PRO A 1 115 ? -37.965 -26.805 -15.010 1.00 24.30 ? 121 PRO B CB  1 
ATOM   1011 C CG  . PRO A 1 115 ? -37.243 -27.984 -14.388 1.00 24.86 ? 121 PRO B CG  1 
ATOM   1012 C CD  . PRO A 1 115 ? -36.506 -28.673 -15.534 1.00 24.74 ? 121 PRO B CD  1 
ATOM   1013 N N   . GLN A 1 116 ? -36.434 -24.142 -15.234 1.00 16.78 ? 122 GLN B N   1 
ATOM   1014 C CA  . GLN A 1 116 ? -35.566 -23.041 -14.760 1.00 14.75 ? 122 GLN B CA  1 
ATOM   1015 C C   . GLN A 1 116 ? -34.997 -23.341 -13.366 1.00 13.31 ? 122 GLN B C   1 
ATOM   1016 O O   . GLN A 1 116 ? -35.647 -24.045 -12.579 1.00 15.12 ? 122 GLN B O   1 
ATOM   1017 C CB  . GLN A 1 116 ? -36.279 -21.684 -14.827 1.00 18.97 ? 122 GLN B CB  1 
ATOM   1018 C CG  . GLN A 1 116 ? -37.342 -21.411 -13.779 1.00 26.15 ? 122 GLN B CG  1 
ATOM   1019 C CD  . GLN A 1 116 ? -38.738 -21.793 -14.204 1.00 35.62 ? 122 GLN B CD  1 
ATOM   1020 O OE1 . GLN A 1 116 ? -38.969 -22.774 -14.917 1.00 40.51 ? 122 GLN B OE1 1 
ATOM   1021 N NE2 . GLN A 1 116 ? -39.702 -21.024 -13.711 1.00 41.38 ? 122 GLN B NE2 1 
ATOM   1022 N N   . THR A 1 117 ? -33.853 -22.761 -13.083 1.00 11.68 ? 123 THR B N   1 
ATOM   1023 C CA  . THR A 1 117 ? -33.115 -22.949 -11.828 1.00 11.42 ? 123 THR B CA  1 
ATOM   1024 C C   . THR A 1 117 ? -33.133 -21.663 -11.022 1.00 11.56 ? 123 THR B C   1 
ATOM   1025 O O   . THR A 1 117 ? -32.691 -20.606 -11.493 1.00 12.90 ? 123 THR B O   1 
ATOM   1026 C CB  . THR A 1 117 ? -31.682 -23.419 -12.101 1.00 11.33 ? 123 THR B CB  1 
ATOM   1027 O OG1 . THR A 1 117 ? -31.744 -24.639 -12.821 1.00 12.74 ? 123 THR B OG1 1 
ATOM   1028 C CG2 . THR A 1 117 ? -30.877 -23.599 -10.822 1.00 11.91 ? 123 THR B CG2 1 
ATOM   1029 N N   . THR A 1 118 ? -33.465 -21.778 -9.733  1.00 12.05 ? 124 THR B N   1 
ATOM   1030 C CA  . THR A 1 118 ? -33.432 -20.654 -8.786  1.00 13.08 ? 124 THR B CA  1 
ATOM   1031 C C   . THR A 1 118 ? -32.003 -20.167 -8.557  1.00 12.72 ? 124 THR B C   1 
ATOM   1032 O O   . THR A 1 118 ? -31.090 -21.022 -8.283  1.00 14.54 ? 124 THR B O   1 
ATOM   1033 C CB  . THR A 1 118 ? -34.063 -21.107 -7.461  1.00 15.85 ? 124 THR B CB  1 
ATOM   1034 O OG1 . THR A 1 118 ? -35.426 -21.421 -7.687  1.00 17.94 ? 124 THR B OG1 1 
ATOM   1035 C CG2 . THR A 1 118 ? -33.884 -20.083 -6.358  1.00 19.23 ? 124 THR B CG2 1 
ATOM   1036 N N   . LEU A 1 119 ? -31.731 -18.882 -8.629  1.00 11.68 ? 125 LEU B N   1 
ATOM   1037 C CA  . LEU A 1 119 ? -30.443 -18.285 -8.316  1.00 11.40 ? 125 LEU B CA  1 
ATOM   1038 C C   . LEU A 1 119 ? -30.494 -17.738 -6.894  1.00 13.86 ? 125 LEU B C   1 
ATOM   1039 O O   . LEU A 1 119 ? -31.577 -17.441 -6.395  1.00 17.16 ? 125 LEU B O   1 
ATOM   1040 C CB  . LEU A 1 119 ? -30.029 -17.189 -9.310  1.00 11.25 ? 125 LEU B CB  1 
ATOM   1041 C CG  . LEU A 1 119 ? -29.954 -17.675 -10.760 1.00 11.24 ? 125 LEU B CG  1 
ATOM   1042 C CD1 . LEU A 1 119 ? -29.705 -16.550 -11.739 1.00 11.60 ? 125 LEU B CD1 1 
ATOM   1043 C CD2 . LEU A 1 119 ? -28.877 -18.749 -10.904 1.00 12.62 ? 125 LEU B CD2 1 
ATOM   1044 N N   . HIS A 1 120 ? -29.347 -17.636 -6.270  1.00 13.54 ? 126 HIS B N   1 
ATOM   1045 C CA  . HIS A 1 120 ? -29.202 -17.163 -4.865  1.00 15.04 ? 126 HIS B CA  1 
ATOM   1046 C C   . HIS A 1 120 ? -28.323 -15.932 -4.920  1.00 15.87 ? 126 HIS B C   1 
ATOM   1047 O O   . HIS A 1 120 ? -27.084 -16.075 -5.037  1.00 21.77 ? 126 HIS B O   1 
ATOM   1048 C CB  . HIS A 1 120 ? -28.589 -18.290 -4.019  1.00 16.84 ? 126 HIS B CB  1 
ATOM   1049 C CG  . HIS A 1 120 ? -29.415 -19.534 -3.974  1.00 17.77 ? 126 HIS B CG  1 
ATOM   1050 N ND1 . HIS A 1 120 ? -29.160 -20.636 -4.801  1.00 22.77 ? 126 HIS B ND1 1 
ATOM   1051 C CD2 . HIS A 1 120 ? -30.510 -19.835 -3.269  1.00 21.44 ? 126 HIS B CD2 1 
ATOM   1052 C CE1 . HIS A 1 120 ? -30.118 -21.544 -4.588  1.00 21.22 ? 126 HIS B CE1 1 
ATOM   1053 N NE2 . HIS A 1 120 ? -30.921 -21.093 -3.636  1.00 21.39 ? 126 HIS B NE2 1 
ATOM   1054 N N   . ILE A 1 121 ? -28.884 -14.755 -4.893  1.00 17.79 ? 127 ILE B N   1 
ATOM   1055 C CA  . ILE A 1 121 ? -28.085 -13.506 -5.012  1.00 20.10 ? 127 ILE B CA  1 
ATOM   1056 C C   . ILE A 1 121 ? -28.459 -12.639 -3.787  1.00 22.48 ? 127 ILE B C   1 
ATOM   1057 O O   . ILE A 1 121 ? -29.589 -12.300 -3.637  1.00 26.91 ? 127 ILE B O   1 
ATOM   1058 C CB  . ILE A 1 121 ? -28.329 -12.787 -6.364  1.00 21.71 ? 127 ILE B CB  1 
ATOM   1059 C CG1 . ILE A 1 121 ? -28.252 -13.698 -7.602  1.00 18.78 ? 127 ILE B CG1 1 
ATOM   1060 C CG2 . ILE A 1 121 ? -27.314 -11.663 -6.501  1.00 24.79 ? 127 ILE B CG2 1 
ATOM   1061 C CD1 . ILE A 1 121 ? -28.474 -13.017 -8.937  1.00 18.52 ? 127 ILE B CD1 1 
ATOM   1062 N N   . GLN A 1 122 ? -27.494 -12.349 -2.938  1.00 26.86 ? 128 GLN B N   1 
ATOM   1063 C CA  . GLN A 1 122 ? -27.778 -11.523 -1.716  1.00 28.96 ? 128 GLN B CA  1 
ATOM   1064 C C   . GLN A 1 122 ? -27.793 -10.024 -2.036  1.00 26.65 ? 128 GLN B C   1 
ATOM   1065 O O   . GLN A 1 122 ? -28.599 -9.284  -1.409  1.00 28.52 ? 128 GLN B O   1 
ATOM   1066 C CB  . GLN A 1 122 ? -26.736 -11.853 -0.657  1.00 31.64 ? 128 GLN B CB  1 
ATOM   1067 C CG  . GLN A 1 122 ? -26.887 -11.041 0.643   1.00 41.53 ? 128 GLN B CG  1 
ATOM   1068 C CD  . GLN A 1 122 ? -28.203 -11.163 1.400   1.00 46.16 ? 128 GLN B CD  1 
ATOM   1069 O OE1 . GLN A 1 122 ? -28.858 -12.204 1.443   1.00 50.55 ? 128 GLN B OE1 1 
ATOM   1070 N NE2 . GLN A 1 122 ? -28.584 -10.085 2.071   1.00 50.63 ? 128 GLN B NE2 1 
ATOM   1071 N N   . VAL A 1 123 ? -27.009 -9.591  -3.030  1.00 21.69 ? 129 VAL B N   1 
ATOM   1072 C CA  . VAL A 1 123 ? -26.864 -8.147  -3.426  1.00 19.50 ? 129 VAL B CA  1 
ATOM   1073 C C   . VAL A 1 123 ? -27.460 -7.966  -4.823  1.00 19.20 ? 129 VAL B C   1 
ATOM   1074 O O   . VAL A 1 123 ? -26.851 -8.430  -5.808  1.00 18.53 ? 129 VAL B O   1 
ATOM   1075 C CB  . VAL A 1 123 ? -25.397 -7.696  -3.412  1.00 21.11 ? 129 VAL B CB  1 
ATOM   1076 C CG1 . VAL A 1 123 ? -25.237 -6.247  -3.924  1.00 22.41 ? 129 VAL B CG1 1 
ATOM   1077 C CG2 . VAL A 1 123 ? -24.735 -7.872  -2.038  1.00 25.41 ? 129 VAL B CG2 1 
ATOM   1078 N N   . PRO A 1 124 ? -28.676 -7.413  -4.992  1.00 17.99 ? 130 PRO B N   1 
ATOM   1079 C CA  . PRO A 1 124 ? -29.264 -7.288  -6.328  1.00 18.68 ? 130 PRO B CA  1 
ATOM   1080 C C   . PRO A 1 124 ? -28.279 -6.569  -7.237  1.00 17.47 ? 130 PRO B C   1 
ATOM   1081 O O   . PRO A 1 124 ? -27.762 -5.504  -6.921  1.00 18.28 ? 130 PRO B O   1 
ATOM   1082 C CB  . PRO A 1 124 ? -30.535 -6.463  -6.089  1.00 21.48 ? 130 PRO B CB  1 
ATOM   1083 C CG  . PRO A 1 124 ? -30.901 -6.809  -4.665  1.00 21.65 ? 130 PRO B CG  1 
ATOM   1084 C CD  . PRO A 1 124 ? -29.612 -6.982  -3.924  1.00 21.26 ? 130 PRO B CD  1 
ATOM   1085 N N   . PRO A 1 125 ? -27.912 -7.164  -8.395  1.00 15.94 ? 131 PRO B N   1 
ATOM   1086 C CA  . PRO A 1 125 ? -26.933 -6.558  -9.278  1.00 15.30 ? 131 PRO B CA  1 
ATOM   1087 C C   . PRO A 1 125 ? -27.443 -5.353  -10.067 1.00 14.57 ? 131 PRO B C   1 
ATOM   1088 O O   . PRO A 1 125 ? -28.548 -5.366  -10.556 1.00 15.50 ? 131 PRO B O   1 
ATOM   1089 C CB  . PRO A 1 125 ? -26.524 -7.720  -10.212 1.00 15.23 ? 131 PRO B CB  1 
ATOM   1090 C CG  . PRO A 1 125 ? -27.661 -8.659  -10.131 1.00 18.29 ? 131 PRO B CG  1 
ATOM   1091 C CD  . PRO A 1 125 ? -28.293 -8.520  -8.772  1.00 16.18 ? 131 PRO B CD  1 
ATOM   1092 N N   . CYS A 1 126 ? -26.595 -4.340  -10.153 1.00 14.91 ? 132 CYS B N   1 
ATOM   1093 C CA  . CYS A 1 126 ? -26.799 -3.222  -11.111 1.00 15.60 ? 132 CYS B CA  1 
ATOM   1094 C C   . CYS A 1 126 ? -25.997 -3.428  -12.394 1.00 13.37 ? 132 CYS B C   1 
ATOM   1095 O O   . CYS A 1 126 ? -26.323 -2.840  -13.408 1.00 13.60 ? 132 CYS B O   1 
ATOM   1096 C CB  . CYS A 1 126 ? -26.417 -1.875  -10.531 1.00 18.54 ? 132 CYS B CB  1 
ATOM   1097 S SG  . CYS A 1 126 ? -27.398 -1.465  -9.053  1.00 25.58 ? 132 CYS B SG  1 
ATOM   1098 N N   A GLN A 1 127 ? -24.907 -4.220  -12.357 0.25 13.92 ? 133 GLN B N   1 
ATOM   1099 N N   B GLN A 1 127 ? -25.034 -4.353  -12.334 0.25 13.94 ? 133 GLN B N   1 
ATOM   1100 C CA  A GLN A 1 127 ? -24.171 -4.639  -13.590 0.25 13.57 ? 133 GLN B CA  1 
ATOM   1101 C CA  B GLN A 1 127 ? -24.158 -4.693  -13.478 0.25 14.04 ? 133 GLN B CA  1 
ATOM   1102 C C   A GLN A 1 127 ? -23.800 -6.125  -13.494 0.25 12.91 ? 133 GLN B C   1 
ATOM   1103 C C   B GLN A 1 127 ? -23.912 -6.203  -13.449 0.25 13.14 ? 133 GLN B C   1 
ATOM   1104 O O   A GLN A 1 127 ? -23.343 -6.585  -12.413 0.25 12.03 ? 133 GLN B O   1 
ATOM   1105 O O   B GLN A 1 127 ? -23.759 -6.792  -12.342 0.25 12.19 ? 133 GLN B O   1 
ATOM   1106 C CB  A GLN A 1 127 ? -22.890 -3.844  -13.890 0.25 15.34 ? 133 GLN B CB  1 
ATOM   1107 C CB  B GLN A 1 127 ? -22.873 -3.863  -13.430 0.25 16.47 ? 133 GLN B CB  1 
ATOM   1108 C CG  A GLN A 1 127 ? -23.088 -2.348  -14.083 0.25 17.07 ? 133 GLN B CG  1 
ATOM   1109 C CG  B GLN A 1 127 ? -23.114 -2.382  -13.650 0.25 18.20 ? 133 GLN B CG  1 
ATOM   1110 C CD  A GLN A 1 127 ? -23.010 -1.623  -12.763 0.25 19.02 ? 133 GLN B CD  1 
ATOM   1111 C CD  B GLN A 1 127 ? -21.844 -1.621  -13.933 0.25 19.08 ? 133 GLN B CD  1 
ATOM   1112 O OE1 A GLN A 1 127 ? -22.329 -2.061  -11.841 0.25 19.71 ? 133 GLN B OE1 1 
ATOM   1113 O OE1 B GLN A 1 127 ? -20.742 -2.140  -13.807 0.25 23.79 ? 133 GLN B OE1 1 
ATOM   1114 N NE2 A GLN A 1 127 ? -23.732 -0.514  -12.669 0.25 18.94 ? 133 GLN B NE2 1 
ATOM   1115 N NE2 B GLN A 1 127 ? -21.996 -0.371  -14.305 0.25 21.08 ? 133 GLN B NE2 1 
ATOM   1116 N N   . ILE A 1 128 ? -23.951 -6.809  -14.642 1.00 12.28 ? 134 ILE B N   1 
ATOM   1117 C CA  . ILE A 1 128 ? -23.771 -8.283  -14.806 1.00 12.05 ? 134 ILE B CA  1 
ATOM   1118 C C   . ILE A 1 128 ? -22.566 -8.446  -15.750 1.00 11.70 ? 134 ILE B C   1 
ATOM   1119 O O   . ILE A 1 128 ? -22.513 -7.827  -16.845 1.00 11.48 ? 134 ILE B O   1 
ATOM   1120 C CB  . ILE A 1 128 ? -25.027 -8.922  -15.413 1.00 13.36 ? 134 ILE B CB  1 
ATOM   1121 C CG1 . ILE A 1 128 ? -26.332 -8.752  -14.602 1.00 17.25 ? 134 ILE B CG1 1 
ATOM   1122 C CG2 . ILE A 1 128 ? -24.738 -10.390 -15.753 1.00 13.28 ? 134 ILE B CG2 1 
ATOM   1123 C CD1 . ILE A 1 128 ? -26.321 -9.486  -13.380 1.00 16.73 ? 134 ILE B CD1 1 
ATOM   1124 N N   . GLY A 1 129 ? -21.618 -9.316  -15.393 1.00 11.95 ? 135 GLY B N   1 
ATOM   1125 C CA  . GLY A 1 129 ? -20.543 -9.752  -16.292 1.00 12.17 ? 135 GLY B CA  1 
ATOM   1126 C C   . GLY A 1 129 ? -20.824 -11.118 -16.866 1.00 11.31 ? 135 GLY B C   1 
ATOM   1127 O O   . GLY A 1 129 ? -21.371 -11.992 -16.197 1.00 12.14 ? 135 GLY B O   1 
ATOM   1128 N N   . ILE A 1 130 ? -20.598 -11.252 -18.175 1.00 11.47 ? 136 ILE B N   1 
ATOM   1129 C CA  . ILE A 1 130 ? -20.886 -12.509 -18.951 1.00 11.22 ? 136 ILE B CA  1 
ATOM   1130 C C   . ILE A 1 130 ? -19.570 -12.992 -19.553 1.00 12.38 ? 136 ILE B C   1 
ATOM   1131 O O   . ILE A 1 130 ? -18.885 -12.220 -20.218 1.00 12.31 ? 136 ILE B O   1 
ATOM   1132 C CB  . ILE A 1 130 ? -21.950 -12.260 -20.038 1.00 12.49 ? 136 ILE B CB  1 
ATOM   1133 C CG1 . ILE A 1 130 ? -23.218 -11.715 -19.377 1.00 13.97 ? 136 ILE B CG1 1 
ATOM   1134 C CG2 . ILE A 1 130 ? -22.185 -13.548 -20.820 1.00 12.80 ? 136 ILE B CG2 1 
ATOM   1135 C CD1 . ILE A 1 130 ? -24.241 -11.299 -20.318 1.00 18.79 ? 136 ILE B CD1 1 
ATOM   1136 N N   . PHE A 1 131 ? -19.210 -14.221 -19.230 1.00 11.61 ? 137 PHE B N   1 
ATOM   1137 C CA  . PHE A 1 131 ? -17.936 -14.844 -19.657 1.00 11.82 ? 137 PHE B CA  1 
ATOM   1138 C C   . PHE A 1 131 ? -18.282 -16.094 -20.444 1.00 11.33 ? 137 PHE B C   1 
ATOM   1139 O O   . PHE A 1 131 ? -19.063 -16.943 -19.998 1.00 11.92 ? 137 PHE B O   1 
ATOM   1140 C CB  . PHE A 1 131 ? -17.074 -15.218 -18.462 1.00 12.71 ? 137 PHE B CB  1 
ATOM   1141 C CG  . PHE A 1 131 ? -15.826 -15.998 -18.841 1.00 13.25 ? 137 PHE B CG  1 
ATOM   1142 C CD1 . PHE A 1 131 ? -14.808 -15.370 -19.526 1.00 15.62 ? 137 PHE B CD1 1 
ATOM   1143 C CD2 . PHE A 1 131 ? -15.653 -17.321 -18.480 1.00 14.96 ? 137 PHE B CD2 1 
ATOM   1144 C CE1 . PHE A 1 131 ? -13.646 -16.065 -19.857 1.00 17.62 ? 137 PHE B CE1 1 
ATOM   1145 C CE2 . PHE A 1 131 ? -14.505 -18.030 -18.838 1.00 16.70 ? 137 PHE B CE2 1 
ATOM   1146 C CZ  . PHE A 1 131 ? -13.507 -17.387 -19.510 1.00 17.61 ? 137 PHE B CZ  1 
ATOM   1147 N N   . VAL A 1 132 ? -17.723 -16.199 -21.650 1.00 11.80 ? 138 VAL B N   1 
ATOM   1148 C CA  . VAL A 1 132 ? -17.870 -17.389 -22.537 1.00 11.53 ? 138 VAL B CA  1 
ATOM   1149 C C   . VAL A 1 132 ? -16.483 -17.977 -22.821 1.00 11.37 ? 138 VAL B C   1 
ATOM   1150 O O   . VAL A 1 132 ? -15.623 -17.243 -23.286 1.00 13.28 ? 138 VAL B O   1 
ATOM   1151 C CB  . VAL A 1 132 ? -18.602 -17.047 -23.850 1.00 11.62 ? 138 VAL B CB  1 
ATOM   1152 C CG1 . VAL A 1 132 ? -18.721 -18.296 -24.704 1.00 13.14 ? 138 VAL B CG1 1 
ATOM   1153 C CG2 . VAL A 1 132 ? -19.963 -16.411 -23.579 1.00 12.83 ? 138 VAL B CG2 1 
ATOM   1154 N N   . ASP A 1 133 ? -16.331 -19.245 -22.525 1.00 11.94 ? 139 ASP B N   1 
ATOM   1155 C CA  . ASP A 1 133 ? -15.122 -20.020 -22.947 1.00 13.70 ? 139 ASP B CA  1 
ATOM   1156 C C   . ASP A 1 133 ? -15.624 -21.035 -23.963 1.00 11.49 ? 139 ASP B C   1 
ATOM   1157 O O   . ASP A 1 133 ? -16.235 -22.045 -23.597 1.00 11.83 ? 139 ASP B O   1 
ATOM   1158 C CB  . ASP A 1 133 ? -14.400 -20.655 -21.777 1.00 13.80 ? 139 ASP B CB  1 
ATOM   1159 C CG  . ASP A 1 133 ? -13.114 -21.387 -22.146 1.00 16.91 ? 139 ASP B CG  1 
ATOM   1160 O OD1 . ASP A 1 133 ? -12.980 -21.818 -23.330 1.00 17.11 ? 139 ASP B OD1 1 
ATOM   1161 O OD2 . ASP A 1 133 ? -12.276 -21.485 -21.194 1.00 20.20 ? 139 ASP B OD2 1 
ATOM   1162 N N   . TYR A 1 134 ? -15.384 -20.730 -25.247 1.00 13.48 ? 140 TYR B N   1 
ATOM   1163 C CA  . TYR A 1 134 ? -15.958 -21.565 -26.328 1.00 13.25 ? 140 TYR B CA  1 
ATOM   1164 C C   . TYR A 1 134 ? -15.423 -23.001 -26.264 1.00 13.64 ? 140 TYR B C   1 
ATOM   1165 O O   . TYR A 1 134 ? -16.153 -23.957 -26.261 1.00 14.32 ? 140 TYR B O   1 
ATOM   1166 C CB  . TYR A 1 134 ? -15.725 -20.936 -27.714 1.00 13.26 ? 140 TYR B CB  1 
ATOM   1167 C CG  . TYR A 1 134 ? -16.636 -21.538 -28.757 1.00 13.52 ? 140 TYR B CG  1 
ATOM   1168 C CD1 . TYR A 1 134 ? -16.471 -22.830 -29.250 1.00 13.46 ? 140 TYR B CD1 1 
ATOM   1169 C CD2 . TYR A 1 134 ? -17.774 -20.861 -29.175 1.00 13.29 ? 140 TYR B CD2 1 
ATOM   1170 C CE1 . TYR A 1 134 ? -17.355 -23.395 -30.137 1.00 12.92 ? 140 TYR B CE1 1 
ATOM   1171 C CE2 . TYR A 1 134 ? -18.675 -21.426 -30.050 1.00 12.89 ? 140 TYR B CE2 1 
ATOM   1172 C CZ  . TYR A 1 134 ? -18.485 -22.697 -30.547 1.00 12.60 ? 140 TYR B CZ  1 
ATOM   1173 O OH  . TYR A 1 134 ? -19.371 -23.323 -31.381 1.00 13.12 ? 140 TYR B OH  1 
ATOM   1174 N N   . GLU A 1 135 ? -14.117 -23.114 -26.168 1.00 16.40 ? 141 GLU B N   1 
ATOM   1175 C CA  . GLU A 1 135 ? -13.469 -24.451 -26.193 1.00 16.21 ? 141 GLU B CA  1 
ATOM   1176 C C   . GLU A 1 135 ? -13.879 -25.278 -24.987 1.00 15.37 ? 141 GLU B C   1 
ATOM   1177 O O   . GLU A 1 135 ? -14.158 -26.463 -25.149 1.00 18.80 ? 141 GLU B O   1 
ATOM   1178 C CB  . GLU A 1 135 ? -11.961 -24.319 -26.270 1.00 18.91 ? 141 GLU B CB  1 
ATOM   1179 C CG  . GLU A 1 135 ? -11.541 -24.119 -27.728 1.00 23.86 ? 141 GLU B CG  1 
ATOM   1180 C CD  . GLU A 1 135 ? -11.939 -22.814 -28.348 1.00 28.42 ? 141 GLU B CD  1 
ATOM   1181 O OE1 . GLU A 1 135 ? -12.172 -22.827 -29.524 1.00 25.46 ? 141 GLU B OE1 1 
ATOM   1182 O OE2 . GLU A 1 135 ? -11.956 -21.755 -27.625 1.00 28.41 ? 141 GLU B OE2 1 
ATOM   1183 N N   . ALA A 1 136 ? -13.944 -24.682 -23.797 1.00 14.91 ? 142 ALA B N   1 
ATOM   1184 C CA  . ALA A 1 136 ? -14.355 -25.353 -22.568 1.00 15.46 ? 142 ALA B CA  1 
ATOM   1185 C C   . ALA A 1 136 ? -15.848 -25.676 -22.517 1.00 14.82 ? 142 ALA B C   1 
ATOM   1186 O O   . ALA A 1 136 ? -16.225 -26.547 -21.718 1.00 17.22 ? 142 ALA B O   1 
ATOM   1187 C CB  . ALA A 1 136 ? -13.966 -24.506 -21.375 1.00 17.69 ? 142 ALA B CB  1 
ATOM   1188 N N   . GLY A 1 137 ? -16.711 -25.040 -23.309 1.00 13.42 ? 143 GLY B N   1 
ATOM   1189 C CA  . GLY A 1 137 ? -18.153 -25.251 -23.198 1.00 12.20 ? 143 GLY B CA  1 
ATOM   1190 C C   . GLY A 1 137 ? -18.736 -24.586 -21.930 1.00 11.41 ? 143 GLY B C   1 
ATOM   1191 O O   . GLY A 1 137 ? -19.508 -25.257 -21.285 1.00 13.28 ? 143 GLY B O   1 
ATOM   1192 N N   . VAL A 1 138 ? -18.320 -23.361 -21.647 1.00 11.76 ? 144 VAL B N   1 
ATOM   1193 C CA  . VAL A 1 138 ? -18.697 -22.677 -20.373 1.00 11.83 ? 144 VAL B CA  1 
ATOM   1194 C C   . VAL A 1 138 ? -19.314 -21.317 -20.690 1.00 11.68 ? 144 VAL B C   1 
ATOM   1195 O O   . VAL A 1 138 ? -18.750 -20.541 -21.465 1.00 12.44 ? 144 VAL B O   1 
ATOM   1196 C CB  . VAL A 1 138 ? -17.463 -22.524 -19.469 1.00 13.57 ? 144 VAL B CB  1 
ATOM   1197 C CG1 . VAL A 1 138 ? -17.778 -21.568 -18.303 1.00 14.02 ? 144 VAL B CG1 1 
ATOM   1198 C CG2 . VAL A 1 138 ? -17.048 -23.904 -18.977 1.00 14.77 ? 144 VAL B CG2 1 
ATOM   1199 N N   . VAL A 1 139 ? -20.437 -21.020 -20.003 1.00 10.60 ? 145 VAL B N   1 
ATOM   1200 C CA  . VAL A 1 139 ? -20.982 -19.629 -19.924 1.00 10.45 ? 145 VAL B CA  1 
ATOM   1201 C C   . VAL A 1 139 ? -21.171 -19.295 -18.433 1.00 10.07 ? 145 VAL B C   1 
ATOM   1202 O O   . VAL A 1 139 ? -21.940 -20.026 -17.784 1.00 10.88 ? 145 VAL B O   1 
ATOM   1203 C CB  . VAL A 1 139 ? -22.318 -19.506 -20.683 1.00 10.00 ? 145 VAL B CB  1 
ATOM   1204 C CG1 . VAL A 1 139 ? -22.790 -18.055 -20.658 1.00 10.64 ? 145 VAL B CG1 1 
ATOM   1205 C CG2 . VAL A 1 139 ? -22.182 -20.014 -22.107 1.00 10.85 ? 145 VAL B CG2 1 
ATOM   1206 N N   . SER A 1 140 ? -20.532 -18.247 -17.964 1.00 9.65  ? 146 SER B N   1 
ATOM   1207 C CA  . SER A 1 140 ? -20.632 -17.852 -16.546 1.00 10.57 ? 146 SER B CA  1 
ATOM   1208 C C   . SER A 1 140 ? -21.107 -16.405 -16.419 1.00 10.42 ? 146 SER B C   1 
ATOM   1209 O O   . SER A 1 140 ? -20.802 -15.577 -17.230 1.00 11.48 ? 146 SER B O   1 
ATOM   1210 C CB  . SER A 1 140 ? -19.311 -18.034 -15.838 1.00 10.45 ? 146 SER B CB  1 
ATOM   1211 O OG  . SER A 1 140 ? -18.984 -19.424 -15.719 1.00 12.51 ? 146 SER B OG  1 
ATOM   1212 N N   . PHE A 1 141 ? -21.771 -16.146 -15.301 1.00 9.43  ? 147 PHE B N   1 
ATOM   1213 C CA  . PHE A 1 141 ? -22.404 -14.858 -14.977 1.00 9.65  ? 147 PHE B CA  1 
ATOM   1214 C C   . PHE A 1 141 ? -21.863 -14.392 -13.635 1.00 9.34  ? 147 PHE B C   1 
ATOM   1215 O O   . PHE A 1 141 ? -21.877 -15.183 -12.668 1.00 10.74 ? 147 PHE B O   1 
ATOM   1216 C CB  . PHE A 1 141 ? -23.939 -14.960 -14.965 1.00 9.70  ? 147 PHE B CB  1 
ATOM   1217 C CG  . PHE A 1 141 ? -24.539 -15.325 -16.301 1.00 9.79  ? 147 PHE B CG  1 
ATOM   1218 C CD1 . PHE A 1 141 ? -24.602 -16.666 -16.695 1.00 10.11 ? 147 PHE B CD1 1 
ATOM   1219 C CD2 . PHE A 1 141 ? -25.053 -14.360 -17.164 1.00 9.97  ? 147 PHE B CD2 1 
ATOM   1220 C CE1 . PHE A 1 141 ? -25.073 -17.008 -17.962 1.00 10.25 ? 147 PHE B CE1 1 
ATOM   1221 C CE2 . PHE A 1 141 ? -25.569 -14.729 -18.399 1.00 9.55  ? 147 PHE B CE2 1 
ATOM   1222 C CZ  . PHE A 1 141 ? -25.620 -16.050 -18.785 1.00 9.71  ? 147 PHE B CZ  1 
ATOM   1223 N N   . TYR A 1 142 ? -21.512 -13.113 -13.570 1.00 9.91  ? 148 TYR B N   1 
ATOM   1224 C CA  . TYR A 1 142 ? -20.853 -12.503 -12.392 1.00 11.65 ? 148 TYR B CA  1 
ATOM   1225 C C   . TYR A 1 142 ? -21.644 -11.267 -11.963 1.00 11.98 ? 148 TYR B C   1 
ATOM   1226 O O   . TYR A 1 142 ? -22.112 -10.448 -12.750 1.00 12.58 ? 148 TYR B O   1 
ATOM   1227 C CB  . TYR A 1 142 ? -19.383 -12.203 -12.682 1.00 12.64 ? 148 TYR B CB  1 
ATOM   1228 C CG  . TYR A 1 142 ? -18.599 -13.451 -12.976 1.00 12.73 ? 148 TYR B CG  1 
ATOM   1229 C CD1 . TYR A 1 142 ? -18.093 -14.242 -11.959 1.00 14.01 ? 148 TYR B CD1 1 
ATOM   1230 C CD2 . TYR A 1 142 ? -18.422 -13.900 -14.263 1.00 13.80 ? 148 TYR B CD2 1 
ATOM   1231 C CE1 . TYR A 1 142 ? -17.399 -15.409 -12.227 1.00 14.45 ? 148 TYR B CE1 1 
ATOM   1232 C CE2 . TYR A 1 142 ? -17.724 -15.062 -14.551 1.00 14.48 ? 148 TYR B CE2 1 
ATOM   1233 C CZ  . TYR A 1 142 ? -17.206 -15.824 -13.526 1.00 13.89 ? 148 TYR B CZ  1 
ATOM   1234 O OH  . TYR A 1 142 ? -16.553 -17.012 -13.771 1.00 16.94 ? 148 TYR B OH  1 
ATOM   1235 N N   . ASN A 1 143 ? -21.655 -11.030 -10.649 1.00 13.77 ? 149 ASN B N   1 
ATOM   1236 C CA  . ASN A 1 143 ? -22.351 -9.870  -10.012 1.00 13.73 ? 149 ASN B CA  1 
ATOM   1237 C C   . ASN A 1 143 ? -21.323 -8.766  -9.818  1.00 12.77 ? 149 ASN B C   1 
ATOM   1238 O O   . ASN A 1 143 ? -20.551 -8.828  -8.805  1.00 15.13 ? 149 ASN B O   1 
ATOM   1239 C CB  . ASN A 1 143 ? -22.957 -10.322 -8.682  1.00 13.25 ? 149 ASN B CB  1 
ATOM   1240 C CG  . ASN A 1 143 ? -23.771 -9.246  -8.000  1.00 13.36 ? 149 ASN B CG  1 
ATOM   1241 O OD1 . ASN A 1 143 ? -23.594 -8.068  -8.348  1.00 14.98 ? 149 ASN B OD1 1 
ATOM   1242 N ND2 . ASN A 1 143 ? -24.651 -9.662  -7.123  1.00 15.38 ? 149 ASN B ND2 1 
ATOM   1243 N N   . ILE A 1 144 ? -21.259 -7.777  -10.685 1.00 13.67 ? 150 ILE B N   1 
ATOM   1244 C CA  . ILE A 1 144 ? -20.196 -6.750  -10.658 1.00 14.87 ? 150 ILE B CA  1 
ATOM   1245 C C   . ILE A 1 144 ? -20.422 -5.889  -9.399  1.00 17.02 ? 150 ILE B C   1 
ATOM   1246 O O   . ILE A 1 144 ? -19.429 -5.414  -8.828  1.00 19.16 ? 150 ILE B O   1 
ATOM   1247 C CB  . ILE A 1 144 ? -20.188 -5.937  -11.957 1.00 16.24 ? 150 ILE B CB  1 
ATOM   1248 C CG1 . ILE A 1 144 ? -20.008 -6.834  -13.199 1.00 17.54 ? 150 ILE B CG1 1 
ATOM   1249 C CG2 . ILE A 1 144 ? -19.175 -4.790  -11.893 1.00 17.61 ? 150 ILE B CG2 1 
ATOM   1250 C CD1 . ILE A 1 144 ? -18.951 -7.863  -13.045 1.00 21.34 ? 150 ILE B CD1 1 
ATOM   1251 N N   . THR A 1 145 ? -21.667 -5.678  -9.001  1.00 16.41 ? 151 THR B N   1 
ATOM   1252 C CA  . THR A 1 145 ? -22.056 -4.845  -7.818  1.00 17.87 ? 151 THR B CA  1 
ATOM   1253 C C   . THR A 1 145 ? -21.493 -5.508  -6.563  1.00 20.43 ? 151 THR B C   1 
ATOM   1254 O O   . THR A 1 145 ? -21.114 -4.745  -5.633  1.00 24.95 ? 151 THR B O   1 
ATOM   1255 C CB  . THR A 1 145 ? -23.583 -4.717  -7.757  1.00 17.14 ? 151 THR B CB  1 
ATOM   1256 O OG1 . THR A 1 145 ? -24.035 -4.234  -9.018  1.00 17.26 ? 151 THR B OG1 1 
ATOM   1257 C CG2 . THR A 1 145 ? -24.025 -3.788  -6.644  1.00 19.67 ? 151 THR B CG2 1 
ATOM   1258 N N   . ASP A 1 146 ? -21.388 -6.834  -6.508  1.00 18.86 ? 152 ASP B N   1 
ATOM   1259 C CA  . ASP A 1 146 ? -20.880 -7.589  -5.326  1.00 20.04 ? 152 ASP B CA  1 
ATOM   1260 C C   . ASP A 1 146 ? -19.459 -8.114  -5.595  1.00 19.62 ? 152 ASP B C   1 
ATOM   1261 O O   . ASP A 1 146 ? -19.237 -9.323  -5.454  1.00 20.69 ? 152 ASP B O   1 
ATOM   1262 C CB  . ASP A 1 146 ? -21.908 -8.613  -4.928  1.00 19.85 ? 152 ASP B CB  1 
ATOM   1263 C CG  . ASP A 1 146 ? -21.503 -9.383  -3.701  1.00 24.85 ? 152 ASP B CG  1 
ATOM   1264 O OD1 . ASP A 1 146 ? -20.942 -8.740  -2.765  1.00 25.49 ? 152 ASP B OD1 1 
ATOM   1265 O OD2 . ASP A 1 146 ? -21.637 -10.613 -3.745  1.00 24.92 ? 152 ASP B OD2 1 
ATOM   1266 N N   . HIS A 1 147 ? -18.537 -7.248  -5.989  1.00 23.14 ? 153 HIS B N   1 
ATOM   1267 C CA  . HIS A 1 147 ? -17.091 -7.587  -6.148  1.00 27.38 ? 153 HIS B CA  1 
ATOM   1268 C C   . HIS A 1 147 ? -16.930 -8.775  -7.104  1.00 24.66 ? 153 HIS B C   1 
ATOM   1269 O O   . HIS A 1 147 ? -15.980 -9.530  -6.985  1.00 24.99 ? 153 HIS B O   1 
ATOM   1270 C CB  . HIS A 1 147 ? -16.424 -7.968  -4.813  1.00 33.06 ? 153 HIS B CB  1 
ATOM   1271 C CG  . HIS A 1 147 ? -16.745 -7.120  -3.618  1.00 40.15 ? 153 HIS B CG  1 
ATOM   1272 N ND1 . HIS A 1 147 ? -16.096 -5.922  -3.361  1.00 42.87 ? 153 HIS B ND1 1 
ATOM   1273 C CD2 . HIS A 1 147 ? -17.581 -7.333  -2.572  1.00 44.44 ? 153 HIS B CD2 1 
ATOM   1274 C CE1 . HIS A 1 147 ? -16.546 -5.409  -2.231  1.00 48.71 ? 153 HIS B CE1 1 
ATOM   1275 N NE2 . HIS A 1 147 ? -17.464 -6.257  -1.722  1.00 48.16 ? 153 HIS B NE2 1 
ATOM   1276 N N   . GLY A 1 148 ? -17.803 -8.918  -8.095  1.00 19.93 ? 154 GLY B N   1 
ATOM   1277 C CA  . GLY A 1 148 ? -17.557 -9.924  -9.144  1.00 17.30 ? 154 GLY B CA  1 
ATOM   1278 C C   . GLY A 1 148 ? -17.959 -11.332 -8.706  1.00 16.86 ? 154 GLY B C   1 
ATOM   1279 O O   . GLY A 1 148 ? -17.481 -12.273 -9.333  1.00 17.47 ? 154 GLY B O   1 
ATOM   1280 N N   . SER A 1 149 ? -18.784 -11.501 -7.696  1.00 14.54 ? 155 SER B N   1 
ATOM   1281 C CA  . SER A 1 149 ? -19.173 -12.832 -7.171  1.00 14.29 ? 155 SER B CA  1 
ATOM   1282 C C   . SER A 1 149 ? -19.894 -13.670 -8.243  1.00 14.74 ? 155 SER B C   1 
ATOM   1283 O O   . SER A 1 149 ? -20.676 -13.126 -9.071  1.00 13.38 ? 155 SER B O   1 
ATOM   1284 C CB  . SER A 1 149 ? -19.999 -12.713 -5.907  1.00 15.46 ? 155 SER B CB  1 
ATOM   1285 O OG  . SER A 1 149 ? -21.189 -11.965 -6.080  1.00 16.97 ? 155 SER B OG  1 
ATOM   1286 N N   . LEU A 1 150 ? -19.661 -14.960 -8.272  1.00 12.80 ? 156 LEU B N   1 
ATOM   1287 C CA  . LEU A 1 150 ? -20.354 -15.859 -9.239  1.00 11.96 ? 156 LEU B CA  1 
ATOM   1288 C C   . LEU A 1 150 ? -21.850 -15.888 -8.980  1.00 11.51 ? 156 LEU B C   1 
ATOM   1289 O O   . LEU A 1 150 ? -22.334 -16.101 -7.837  1.00 12.40 ? 156 LEU B O   1 
ATOM   1290 C CB  . LEU A 1 150 ? -19.787 -17.266 -9.105  1.00 12.56 ? 156 LEU B CB  1 
ATOM   1291 C CG  . LEU A 1 150 ? -20.328 -18.312 -10.079 1.00 12.36 ? 156 LEU B CG  1 
ATOM   1292 C CD1 . LEU A 1 150 ? -19.970 -18.016 -11.522 1.00 13.38 ? 156 LEU B CD1 1 
ATOM   1293 C CD2 . LEU A 1 150 ? -19.788 -19.699 -9.690  1.00 13.55 ? 156 LEU B CD2 1 
ATOM   1294 N N   . ILE A 1 151 ? -22.625 -15.805 -10.069 1.00 11.29 ? 157 ILE B N   1 
ATOM   1295 C CA  . ILE A 1 151 ? -24.072 -15.999 -10.092 1.00 11.20 ? 157 ILE B CA  1 
ATOM   1296 C C   . ILE A 1 151 ? -24.407 -17.409 -10.551 1.00 10.69 ? 157 ILE B C   1 
ATOM   1297 O O   . ILE A 1 151 ? -25.215 -18.110 -9.965  1.00 10.73 ? 157 ILE B O   1 
ATOM   1298 C CB  . ILE A 1 151 ? -24.757 -14.901 -10.931 1.00 11.47 ? 157 ILE B CB  1 
ATOM   1299 C CG1 . ILE A 1 151 ? -24.548 -13.507 -10.329 1.00 12.49 ? 157 ILE B CG1 1 
ATOM   1300 C CG2 . ILE A 1 151 ? -26.237 -15.235 -11.077 1.00 11.42 ? 157 ILE B CG2 1 
ATOM   1301 C CD1 . ILE A 1 151 ? -25.004 -12.369 -11.258 1.00 12.56 ? 157 ILE B CD1 1 
ATOM   1302 N N   . TYR A 1 152 ? -23.877 -17.805 -11.713 1.00 10.30 ? 158 TYR B N   1 
ATOM   1303 C CA  . TYR A 1 152 ? -24.279 -19.086 -12.315 1.00 9.48  ? 158 TYR B CA  1 
ATOM   1304 C C   . TYR A 1 152 ? -23.233 -19.487 -13.376 1.00 9.72  ? 158 TYR B C   1 
ATOM   1305 O O   . TYR A 1 152 ? -22.724 -18.599 -14.107 1.00 10.84 ? 158 TYR B O   1 
ATOM   1306 C CB  . TYR A 1 152 ? -25.640 -18.978 -13.061 1.00 9.58  ? 158 TYR B CB  1 
ATOM   1307 C CG  . TYR A 1 152 ? -26.206 -20.322 -13.425 1.00 9.58  ? 158 TYR B CG  1 
ATOM   1308 C CD1 . TYR A 1 152 ? -26.871 -21.104 -12.495 1.00 9.92  ? 158 TYR B CD1 1 
ATOM   1309 C CD2 . TYR A 1 152 ? -26.089 -20.831 -14.728 1.00 9.59  ? 158 TYR B CD2 1 
ATOM   1310 C CE1 . TYR A 1 152 ? -27.373 -22.358 -12.826 1.00 10.99 ? 158 TYR B CE1 1 
ATOM   1311 C CE2 . TYR A 1 152 ? -26.561 -22.078 -15.058 1.00 10.37 ? 158 TYR B CE2 1 
ATOM   1312 C CZ  . TYR A 1 152 ? -27.178 -22.852 -14.105 1.00 10.73 ? 158 TYR B CZ  1 
ATOM   1313 O OH  . TYR A 1 152 ? -27.609 -24.119 -14.404 1.00 13.93 ? 158 TYR B OH  1 
ATOM   1314 N N   . THR A 1 153 ? -22.988 -20.803 -13.499 1.00 10.44 ? 159 THR B N   1 
ATOM   1315 C CA  . THR A 1 153 ? -22.148 -21.394 -14.570 1.00 11.38 ? 159 THR B CA  1 
ATOM   1316 C C   . THR A 1 153 ? -22.901 -22.500 -15.271 1.00 10.43 ? 159 THR B C   1 
ATOM   1317 O O   . THR A 1 153 ? -23.288 -23.474 -14.664 1.00 11.17 ? 159 THR B O   1 
ATOM   1318 C CB  . THR A 1 153 ? -20.837 -21.935 -13.987 1.00 11.46 ? 159 THR B CB  1 
ATOM   1319 O OG1 . THR A 1 153 ? -20.048 -20.817 -13.597 1.00 11.92 ? 159 THR B OG1 1 
ATOM   1320 C CG2 . THR A 1 153 ? -20.094 -22.749 -15.037 1.00 13.19 ? 159 THR B CG2 1 
ATOM   1321 N N   . PHE A 1 154 ? -23.119 -22.314 -16.588 1.00 10.43 ? 160 PHE B N   1 
ATOM   1322 C CA  . PHE A 1 154 ? -23.496 -23.410 -17.503 1.00 10.38 ? 160 PHE B CA  1 
ATOM   1323 C C   . PHE A 1 154 ? -22.190 -24.083 -17.972 1.00 10.96 ? 160 PHE B C   1 
ATOM   1324 O O   . PHE A 1 154 ? -21.317 -23.428 -18.462 1.00 11.41 ? 160 PHE B O   1 
ATOM   1325 C CB  . PHE A 1 154 ? -24.199 -22.900 -18.759 1.00 11.15 ? 160 PHE B CB  1 
ATOM   1326 C CG  . PHE A 1 154 ? -25.559 -22.270 -18.595 1.00 9.62  ? 160 PHE B CG  1 
ATOM   1327 C CD1 . PHE A 1 154 ? -25.699 -20.911 -18.334 1.00 9.14  ? 160 PHE B CD1 1 
ATOM   1328 C CD2 . PHE A 1 154 ? -26.687 -23.032 -18.774 1.00 9.77  ? 160 PHE B CD2 1 
ATOM   1329 C CE1 . PHE A 1 154 ? -26.977 -20.378 -18.228 1.00 10.03 ? 160 PHE B CE1 1 
ATOM   1330 C CE2 . PHE A 1 154 ? -27.964 -22.491 -18.645 1.00 9.57  ? 160 PHE B CE2 1 
ATOM   1331 C CZ  . PHE A 1 154 ? -28.094 -21.150 -18.386 1.00 9.45  ? 160 PHE B CZ  1 
ATOM   1332 N N   . SER A 1 155 ? -22.107 -25.391 -17.723 1.00 13.80 ? 161 SER B N   1 
ATOM   1333 C CA  . SER A 1 155 ? -20.958 -26.187 -18.180 1.00 14.66 ? 161 SER B CA  1 
ATOM   1334 C C   . SER A 1 155 ? -21.455 -27.306 -19.086 1.00 15.76 ? 161 SER B C   1 
ATOM   1335 O O   . SER A 1 155 ? -22.671 -27.572 -19.225 1.00 17.67 ? 161 SER B O   1 
ATOM   1336 C CB  . SER A 1 155 ? -20.148 -26.643 -16.996 1.00 16.84 ? 161 SER B CB  1 
ATOM   1337 O OG  . SER A 1 155 ? -20.817 -27.635 -16.260 1.00 21.70 ? 161 SER B OG  1 
ATOM   1338 N N   . GLU A 1 156 ? -20.488 -27.935 -19.775 1.00 17.61 ? 162 GLU B N   1 
ATOM   1339 C CA  . GLU A 1 156 ? -20.809 -29.008 -20.760 1.00 20.24 ? 162 GLU B CA  1 
ATOM   1340 C C   . GLU A 1 156 ? -21.752 -28.429 -21.825 1.00 18.88 ? 162 GLU B C   1 
ATOM   1341 O O   . GLU A 1 156 ? -22.662 -29.157 -22.283 1.00 21.40 ? 162 GLU B O   1 
ATOM   1342 C CB  . GLU A 1 156 ? -21.448 -30.250 -20.133 1.00 25.09 ? 162 GLU B CB  1 
ATOM   1343 C CG  . GLU A 1 156 ? -20.848 -30.746 -18.822 1.00 32.66 ? 162 GLU B CG  1 
ATOM   1344 C CD  . GLU A 1 156 ? -21.505 -32.053 -18.390 1.00 42.70 ? 162 GLU B CD  1 
ATOM   1345 O OE1 . GLU A 1 156 ? -22.465 -32.016 -17.590 1.00 48.82 ? 162 GLU B OE1 1 
ATOM   1346 O OE2 . GLU A 1 156 ? -21.095 -33.109 -18.890 1.00 47.78 ? 162 GLU B OE2 1 
ATOM   1347 N N   . CYS A 1 157 ? -21.588 -27.151 -22.197 1.00 15.39 ? 163 CYS B N   1 
ATOM   1348 C CA  . CYS A 1 157 ? -22.499 -26.510 -23.184 1.00 15.13 ? 163 CYS B CA  1 
ATOM   1349 C C   . CYS A 1 157 ? -22.300 -27.118 -24.572 1.00 16.44 ? 163 CYS B C   1 
ATOM   1350 O O   . CYS A 1 157 ? -21.087 -27.378 -24.894 1.00 19.84 ? 163 CYS B O   1 
ATOM   1351 C CB  . CYS A 1 157 ? -22.322 -24.996 -23.304 1.00 13.23 ? 163 CYS B CB  1 
ATOM   1352 S SG  . CYS A 1 157 ? -22.665 -24.113 -21.751 1.00 13.46 ? 163 CYS B SG  1 
ATOM   1353 N N   . VAL A 1 158 ? -23.376 -27.311 -25.317 1.00 16.25 ? 164 VAL B N   1 
ATOM   1354 C CA  . VAL A 1 158 ? -23.326 -27.755 -26.732 1.00 17.42 ? 164 VAL B CA  1 
ATOM   1355 C C   . VAL A 1 158 ? -23.701 -26.568 -27.580 1.00 15.13 ? 164 VAL B C   1 
ATOM   1356 O O   . VAL A 1 158 ? -24.864 -26.366 -28.033 1.00 17.85 ? 164 VAL B O   1 
ATOM   1357 C CB  . VAL A 1 158 ? -24.236 -28.979 -26.944 1.00 23.48 ? 164 VAL B CB  1 
ATOM   1358 C CG1 . VAL A 1 158 ? -24.214 -29.410 -28.420 1.00 23.34 ? 164 VAL B CG1 1 
ATOM   1359 C CG2 . VAL A 1 158 ? -23.832 -30.119 -26.050 1.00 25.40 ? 164 VAL B CG2 1 
ATOM   1360 N N   . PHE A 1 159 ? -22.736 -25.713 -27.846 1.00 13.54 ? 165 PHE B N   1 
ATOM   1361 C CA  . PHE A 1 159 ? -22.950 -24.468 -28.612 1.00 12.84 ? 165 PHE B CA  1 
ATOM   1362 C C   . PHE A 1 159 ? -23.488 -24.835 -29.993 1.00 17.02 ? 165 PHE B C   1 
ATOM   1363 O O   . PHE A 1 159 ? -24.394 -24.156 -30.482 1.00 18.43 ? 165 PHE B O   1 
ATOM   1364 C CB  . PHE A 1 159 ? -21.723 -23.577 -28.579 1.00 12.94 ? 165 PHE B CB  1 
ATOM   1365 C CG  . PHE A 1 159 ? -21.313 -23.130 -27.193 1.00 11.63 ? 165 PHE B CG  1 
ATOM   1366 C CD1 . PHE A 1 159 ? -22.262 -22.607 -26.314 1.00 12.40 ? 165 PHE B CD1 1 
ATOM   1367 C CD2 . PHE A 1 159 ? -19.980 -23.117 -26.809 1.00 13.09 ? 165 PHE B CD2 1 
ATOM   1368 C CE1 . PHE A 1 159 ? -21.898 -22.143 -25.056 1.00 12.23 ? 165 PHE B CE1 1 
ATOM   1369 C CE2 . PHE A 1 159 ? -19.610 -22.681 -25.542 1.00 13.17 ? 165 PHE B CE2 1 
ATOM   1370 C CZ  . PHE A 1 159 ? -20.565 -22.156 -24.694 1.00 13.07 ? 165 PHE B CZ  1 
ATOM   1371 N N   . ALA A 1 160 ? -22.852 -25.790 -30.666 1.00 13.56 ? 166 ALA B N   1 
ATOM   1372 C CA  . ALA A 1 160 ? -23.320 -26.322 -31.958 1.00 14.12 ? 166 ALA B CA  1 
ATOM   1373 C C   . ALA A 1 160 ? -23.319 -25.255 -33.032 1.00 14.24 ? 166 ALA B C   1 
ATOM   1374 O O   . ALA A 1 160 ? -24.117 -25.438 -34.047 1.00 16.24 ? 166 ALA B O   1 
ATOM   1375 C CB  . ALA A 1 160 ? -24.641 -27.015 -31.804 1.00 13.85 ? 166 ALA B CB  1 
ATOM   1376 N N   . GLY A 1 161 ? -22.447 -24.268 -32.978 1.00 15.30 ? 167 GLY B N   1 
ATOM   1377 C CA  . GLY A 1 161 ? -22.361 -23.215 -33.994 1.00 16.65 ? 167 GLY B CA  1 
ATOM   1378 C C   . GLY A 1 161 ? -21.877 -21.913 -33.418 1.00 14.00 ? 167 GLY B C   1 
ATOM   1379 O O   . GLY A 1 161 ? -21.500 -21.832 -32.211 1.00 13.66 ? 167 GLY B O   1 
ATOM   1380 N N   . PRO A 1 162 ? -21.823 -20.880 -34.240 1.00 12.97 ? 168 PRO B N   1 
ATOM   1381 C CA  . PRO A 1 162 ? -21.385 -19.588 -33.772 1.00 12.66 ? 168 PRO B CA  1 
ATOM   1382 C C   . PRO A 1 162 ? -22.365 -19.053 -32.705 1.00 12.23 ? 168 PRO B C   1 
ATOM   1383 O O   . PRO A 1 162 ? -23.581 -19.351 -32.777 1.00 12.48 ? 168 PRO B O   1 
ATOM   1384 C CB  . PRO A 1 162 ? -21.434 -18.689 -34.997 1.00 12.87 ? 168 PRO B CB  1 
ATOM   1385 C CG  . PRO A 1 162 ? -21.479 -19.686 -36.170 1.00 14.15 ? 168 PRO B CG  1 
ATOM   1386 C CD  . PRO A 1 162 ? -22.192 -20.880 -35.666 1.00 13.45 ? 168 PRO B CD  1 
ATOM   1387 N N   . LEU A 1 163 ? -21.811 -18.275 -31.785 1.00 11.92 ? 169 LEU B N   1 
ATOM   1388 C CA  . LEU A 1 163 ? -22.612 -17.658 -30.674 1.00 12.19 ? 169 LEU B CA  1 
ATOM   1389 C C   . LEU A 1 163 ? -22.723 -16.169 -30.907 1.00 12.31 ? 169 LEU B C   1 
ATOM   1390 O O   . LEU A 1 163 ? -21.810 -15.515 -31.419 1.00 13.38 ? 169 LEU B O   1 
ATOM   1391 C CB  . LEU A 1 163 ? -21.923 -17.907 -29.327 1.00 11.90 ? 169 LEU B CB  1 
ATOM   1392 C CG  . LEU A 1 163 ? -21.911 -19.353 -28.849 1.00 13.10 ? 169 LEU B CG  1 
ATOM   1393 C CD1 . LEU A 1 163 ? -21.061 -19.417 -27.597 1.00 13.03 ? 169 LEU B CD1 1 
ATOM   1394 C CD2 . LEU A 1 163 ? -23.334 -19.872 -28.614 1.00 13.43 ? 169 LEU B CD2 1 
ATOM   1395 N N   . ARG A 1 164 ? -23.860 -15.597 -30.453 1.00 11.79 ? 170 ARG B N   1 
ATOM   1396 C CA  . ARG A 1 164 ? -24.069 -14.138 -30.442 1.00 11.70 ? 170 ARG B CA  1 
ATOM   1397 C C   . ARG A 1 164 ? -24.479 -13.693 -29.039 1.00 9.83  ? 170 ARG B C   1 
ATOM   1398 O O   . ARG A 1 164 ? -25.257 -14.373 -28.381 1.00 10.17 ? 170 ARG B O   1 
ATOM   1399 C CB  . ARG A 1 164 ? -25.139 -13.766 -31.477 1.00 13.82 ? 170 ARG B CB  1 
ATOM   1400 C CG  . ARG A 1 164 ? -24.603 -14.115 -32.869 1.00 17.08 ? 170 ARG B CG  1 
ATOM   1401 C CD  . ARG A 1 164 ? -25.476 -13.767 -34.002 1.00 20.02 ? 170 ARG B CD  1 
ATOM   1402 N NE  . ARG A 1 164 ? -25.478 -12.335 -34.075 1.00 17.44 ? 170 ARG B NE  1 
ATOM   1403 C CZ  . ARG A 1 164 ? -26.190 -11.725 -35.000 1.00 18.63 ? 170 ARG B CZ  1 
ATOM   1404 N NH1 . ARG A 1 164 ? -26.805 -12.442 -35.916 1.00 19.28 ? 170 ARG B NH1 1 
ATOM   1405 N NH2 . ARG A 1 164 ? -26.244 -10.420 -35.013 1.00 16.53 ? 170 ARG B NH2 1 
ATOM   1406 N N   . PRO A 1 165 ? -24.022 -12.504 -28.600 1.00 9.70  ? 171 PRO B N   1 
ATOM   1407 C CA  . PRO A 1 165 ? -24.560 -11.905 -27.362 1.00 9.64  ? 171 PRO B CA  1 
ATOM   1408 C C   . PRO A 1 165 ? -26.085 -11.748 -27.528 1.00 9.45  ? 171 PRO B C   1 
ATOM   1409 O O   . PRO A 1 165 ? -26.571 -11.404 -28.606 1.00 9.83  ? 171 PRO B O   1 
ATOM   1410 C CB  . PRO A 1 165 ? -23.867 -10.537 -27.256 1.00 9.88  ? 171 PRO B CB  1 
ATOM   1411 C CG  . PRO A 1 165 ? -22.577 -10.764 -28.071 1.00 11.38 ? 171 PRO B CG  1 
ATOM   1412 C CD  . PRO A 1 165 ? -23.044 -11.595 -29.235 1.00 11.49 ? 171 PRO B CD  1 
ATOM   1413 N N   . PHE A 1 166 ? -26.823 -12.025 -26.453 1.00 9.48  ? 172 PHE B N   1 
ATOM   1414 C CA  . PHE A 1 166 ? -28.306 -12.048 -26.439 1.00 9.35  ? 172 PHE B CA  1 
ATOM   1415 C C   . PHE A 1 166 ? -28.805 -11.120 -25.331 1.00 8.65  ? 172 PHE B C   1 
ATOM   1416 O O   . PHE A 1 166 ? -28.338 -11.112 -24.171 1.00 8.88  ? 172 PHE B O   1 
ATOM   1417 C CB  . PHE A 1 166 ? -28.801 -13.468 -26.187 1.00 9.72  ? 172 PHE B CB  1 
ATOM   1418 C CG  . PHE A 1 166 ? -30.298 -13.568 -25.988 1.00 9.84  ? 172 PHE B CG  1 
ATOM   1419 C CD1 . PHE A 1 166 ? -31.146 -13.545 -27.094 1.00 10.31 ? 172 PHE B CD1 1 
ATOM   1420 C CD2 . PHE A 1 166 ? -30.842 -13.611 -24.726 1.00 10.80 ? 172 PHE B CD2 1 
ATOM   1421 C CE1 . PHE A 1 166 ? -32.525 -13.603 -26.913 1.00 10.71 ? 172 PHE B CE1 1 
ATOM   1422 C CE2 . PHE A 1 166 ? -32.227 -13.617 -24.570 1.00 10.37 ? 172 PHE B CE2 1 
ATOM   1423 C CZ  . PHE A 1 166 ? -33.054 -13.638 -25.658 1.00 10.70 ? 172 PHE B CZ  1 
ATOM   1424 N N   . PHE A 1 167 ? -29.887 -10.370 -25.658 1.00 8.24  ? 173 PHE B N   1 
ATOM   1425 C CA  . PHE A 1 167 ? -30.506 -9.371  -24.757 1.00 8.82  ? 173 PHE B CA  1 
ATOM   1426 C C   . PHE A 1 167 ? -32.022 -9.422  -24.889 1.00 9.64  ? 173 PHE B C   1 
ATOM   1427 O O   . PHE A 1 167 ? -32.536 -9.434  -26.014 1.00 9.67  ? 173 PHE B O   1 
ATOM   1428 C CB  . PHE A 1 167 ? -30.061 -7.948  -25.135 1.00 8.85  ? 173 PHE B CB  1 
ATOM   1429 C CG  . PHE A 1 167 ? -28.548 -7.789  -25.242 1.00 9.51  ? 173 PHE B CG  1 
ATOM   1430 C CD1 . PHE A 1 167 ? -27.889 -8.082  -26.432 1.00 9.17  ? 173 PHE B CD1 1 
ATOM   1431 C CD2 . PHE A 1 167 ? -27.781 -7.354  -24.154 1.00 10.87 ? 173 PHE B CD2 1 
ATOM   1432 C CE1 . PHE A 1 167 ? -26.500 -8.022  -26.519 1.00 9.54  ? 173 PHE B CE1 1 
ATOM   1433 C CE2 . PHE A 1 167 ? -26.399 -7.225  -24.272 1.00 10.77 ? 173 PHE B CE2 1 
ATOM   1434 C CZ  . PHE A 1 167 ? -25.787 -7.560  -25.451 1.00 10.70 ? 173 PHE B CZ  1 
ATOM   1435 N N   . ASN A 1 168 ? -32.704 -9.291  -23.763 1.00 9.65  ? 174 ASN B N   1 
ATOM   1436 C CA  . ASN A 1 168 ? -34.166 -9.029  -23.716 1.00 8.97  ? 174 ASN B CA  1 
ATOM   1437 C C   . ASN A 1 168 ? -34.364 -7.901  -22.711 1.00 8.57  ? 174 ASN B C   1 
ATOM   1438 O O   . ASN A 1 168 ? -34.065 -8.077  -21.529 1.00 9.54  ? 174 ASN B O   1 
ATOM   1439 C CB  . ASN A 1 168 ? -34.955 -10.260 -23.280 1.00 9.04  ? 174 ASN B CB  1 
ATOM   1440 C CG  . ASN A 1 168 ? -36.458 -10.058 -23.347 1.00 10.69 ? 174 ASN B CG  1 
ATOM   1441 O OD1 . ASN A 1 168 ? -36.967 -8.990  -23.652 1.00 11.57 ? 174 ASN B OD1 1 
ATOM   1442 N ND2 . ASN A 1 168 ? -37.167 -11.124 -23.109 1.00 12.16 ? 174 ASN B ND2 1 
ATOM   1443 N N   . VAL A 1 169 ? -34.903 -6.748  -23.157 1.00 9.12  ? 175 VAL B N   1 
ATOM   1444 C CA  . VAL A 1 169 ? -35.163 -5.578  -22.258 1.00 9.58  ? 175 VAL B CA  1 
ATOM   1445 C C   . VAL A 1 169 ? -36.417 -5.797  -21.422 1.00 9.67  ? 175 VAL B C   1 
ATOM   1446 O O   . VAL A 1 169 ? -36.633 -4.994  -20.482 1.00 10.39 ? 175 VAL B O   1 
ATOM   1447 C CB  . VAL A 1 169 ? -35.229 -4.218  -22.993 1.00 10.73 ? 175 VAL B CB  1 
ATOM   1448 C CG1 . VAL A 1 169 ? -33.916 -3.891  -23.673 1.00 11.97 ? 175 VAL B CG1 1 
ATOM   1449 C CG2 . VAL A 1 169 ? -36.376 -4.175  -23.979 1.00 11.35 ? 175 VAL B CG2 1 
ATOM   1450 N N   . GLY A 1 170 ? -37.229 -6.803  -21.775 1.00 9.89  ? 176 GLY B N   1 
ATOM   1451 C CA  . GLY A 1 170 ? -38.517 -7.057  -21.120 1.00 10.30 ? 176 GLY B CA  1 
ATOM   1452 C C   . GLY A 1 170 ? -39.603 -6.091  -21.519 1.00 9.80  ? 176 GLY B C   1 
ATOM   1453 O O   . GLY A 1 170 ? -39.363 -5.054  -22.090 1.00 9.40  ? 176 GLY B O   1 
ATOM   1454 N N   . PHE A 1 171 ? -40.836 -6.539  -21.298 1.00 10.24 ? 177 PHE B N   1 
ATOM   1455 C CA  . PHE A 1 171 ? -42.029 -5.677  -21.501 1.00 9.76  ? 177 PHE B CA  1 
ATOM   1456 C C   . PHE A 1 171 ? -42.062 -4.604  -20.432 1.00 9.66  ? 177 PHE B C   1 
ATOM   1457 O O   . PHE A 1 171 ? -41.375 -4.669  -19.421 1.00 10.18 ? 177 PHE B O   1 
ATOM   1458 C CB  . PHE A 1 171 ? -43.298 -6.547  -21.550 1.00 11.19 ? 177 PHE B CB  1 
ATOM   1459 C CG  . PHE A 1 171 ? -43.391 -7.422  -22.774 1.00 10.82 ? 177 PHE B CG  1 
ATOM   1460 C CD1 . PHE A 1 171 ? -43.788 -6.896  -23.989 1.00 11.94 ? 177 PHE B CD1 1 
ATOM   1461 C CD2 . PHE A 1 171 ? -43.109 -8.777  -22.732 1.00 13.05 ? 177 PHE B CD2 1 
ATOM   1462 C CE1 . PHE A 1 171 ? -43.814 -7.672  -25.141 1.00 12.93 ? 177 PHE B CE1 1 
ATOM   1463 C CE2 . PHE A 1 171 ? -43.189 -9.552  -23.893 1.00 13.33 ? 177 PHE B CE2 1 
ATOM   1464 C CZ  . PHE A 1 171 ? -43.580 -9.000  -25.064 1.00 13.27 ? 177 PHE B CZ  1 
ATOM   1465 N N   . ASN A 1 172 ? -42.956 -3.645  -20.668 1.00 10.21 ? 178 ASN B N   1 
ATOM   1466 C CA  . ASN A 1 172 ? -43.186 -2.554  -19.689 1.00 9.89  ? 178 ASN B CA  1 
ATOM   1467 C C   . ASN A 1 172 ? -44.700 -2.401  -19.486 1.00 9.61  ? 178 ASN B C   1 
ATOM   1468 O O   . ASN A 1 172 ? -45.224 -1.269  -19.460 1.00 11.83 ? 178 ASN B O   1 
ATOM   1469 C CB  . ASN A 1 172 ? -42.505 -1.277  -20.123 1.00 10.80 ? 178 ASN B CB  1 
ATOM   1470 C CG  . ASN A 1 172 ? -42.575 -0.197  -19.099 1.00 10.50 ? 178 ASN B CG  1 
ATOM   1471 O OD1 . ASN A 1 172 ? -42.607 -0.438  -17.908 1.00 10.48 ? 178 ASN B OD1 1 
ATOM   1472 N ND2 . ASN A 1 172 ? -42.531 1.044   -19.576 1.00 12.41 ? 178 ASN B ND2 1 
ATOM   1473 N N   . TYR A 1 173 ? -45.358 -3.480  -19.141 1.00 10.27 ? 179 TYR B N   1 
ATOM   1474 C CA  . TYR A 1 173 ? -46.804 -3.447  -18.759 1.00 9.74  ? 179 TYR B CA  1 
ATOM   1475 C C   . TYR A 1 173 ? -46.969 -2.672  -17.454 1.00 10.71 ? 179 TYR B C   1 
ATOM   1476 O O   . TYR A 1 173 ? -48.066 -2.043  -17.243 1.00 11.76 ? 179 TYR B O   1 
ATOM   1477 C CB  . TYR A 1 173 ? -47.372 -4.864  -18.615 1.00 10.35 ? 179 TYR B CB  1 
ATOM   1478 C CG  . TYR A 1 173 ? -47.460 -5.657  -19.892 1.00 12.19 ? 179 TYR B CG  1 
ATOM   1479 C CD1 . TYR A 1 173 ? -48.422 -5.369  -20.849 1.00 15.01 ? 179 TYR B CD1 1 
ATOM   1480 C CD2 . TYR A 1 173 ? -46.625 -6.719  -20.135 1.00 13.75 ? 179 TYR B CD2 1 
ATOM   1481 C CE1 . TYR A 1 173 ? -48.484 -6.048  -22.052 1.00 15.28 ? 179 TYR B CE1 1 
ATOM   1482 C CE2 . TYR A 1 173 ? -46.670 -7.406  -21.350 1.00 12.73 ? 179 TYR B CE2 1 
ATOM   1483 C CZ  . TYR A 1 173 ? -47.630 -7.101  -22.278 1.00 14.15 ? 179 TYR B CZ  1 
ATOM   1484 O OH  . TYR A 1 173 ? -47.751 -7.756  -23.491 1.00 17.81 ? 179 TYR B OH  1 
ATOM   1485 N N   . SER A 1 174 ? -46.023 -2.699  -16.538 1.00 10.41 ? 180 SER B N   1 
ATOM   1486 C CA  . SER A 1 174 ? -46.127 -2.081  -15.196 1.00 10.91 ? 180 SER B CA  1 
ATOM   1487 C C   . SER A 1 174 ? -45.874 -0.573  -15.246 1.00 10.93 ? 180 SER B C   1 
ATOM   1488 O O   . SER A 1 174 ? -46.222 0.106   -14.228 1.00 12.79 ? 180 SER B O   1 
ATOM   1489 C CB  . SER A 1 174 ? -45.169 -2.700  -14.251 1.00 11.50 ? 180 SER B CB  1 
ATOM   1490 O OG  . SER A 1 174 ? -43.821 -2.412  -14.664 1.00 11.66 ? 180 SER B OG  1 
ATOM   1491 N N   . GLY A 1 175 ? -45.207 -0.051  -16.253 1.00 9.95  ? 181 GLY B N   1 
ATOM   1492 C CA  . GLY A 1 175 ? -44.718 1.330   -16.192 1.00 10.46 ? 181 GLY B CA  1 
ATOM   1493 C C   . GLY A 1 175 ? -43.462 1.477   -15.362 1.00 11.34 ? 181 GLY B C   1 
ATOM   1494 O O   . GLY A 1 175 ? -42.992 2.625   -15.241 1.00 13.92 ? 181 GLY B O   1 
ATOM   1495 N N   . GLY A 1 176 ? -42.935 0.385   -14.771 1.00 10.36 ? 182 GLY B N   1 
ATOM   1496 C CA  . GLY A 1 176 ? -41.701 0.413   -13.954 1.00 10.89 ? 182 GLY B CA  1 
ATOM   1497 C C   . GLY A 1 176 ? -40.484 -0.190  -14.640 1.00 11.18 ? 182 GLY B C   1 
ATOM   1498 O O   . GLY A 1 176 ? -39.444 -0.270  -13.938 1.00 13.40 ? 182 GLY B O   1 
ATOM   1499 N N   . ASN A 1 177 ? -40.592 -0.601  -15.887 1.00 9.56  ? 183 ASN B N   1 
ATOM   1500 C CA  . ASN A 1 177 ? -39.477 -1.308  -16.577 1.00 10.07 ? 183 ASN B CA  1 
ATOM   1501 C C   . ASN A 1 177 ? -39.021 -0.584  -17.824 1.00 10.42 ? 183 ASN B C   1 
ATOM   1502 O O   . ASN A 1 177 ? -38.433 -1.242  -18.705 1.00 10.93 ? 183 ASN B O   1 
ATOM   1503 C CB  . ASN A 1 177 ? -39.846 -2.764  -16.883 1.00 9.63  ? 183 ASN B CB  1 
ATOM   1504 C CG  . ASN A 1 177 ? -38.632 -3.636  -17.151 1.00 9.63  ? 183 ASN B CG  1 
ATOM   1505 O OD1 . ASN A 1 177 ? -37.596 -3.441  -16.528 1.00 10.19 ? 183 ASN B OD1 1 
ATOM   1506 N ND2 . ASN A 1 177 ? -38.771 -4.514  -18.133 1.00 9.74  ? 183 ASN B ND2 1 
ATOM   1507 N N   . ALA A 1 178 ? -39.117 0.740   -17.890 1.00 10.40 ? 184 ALA B N   1 
ATOM   1508 C CA  . ALA A 1 178 ? -38.708 1.465   -19.109 1.00 11.40 ? 184 ALA B CA  1 
ATOM   1509 C C   . ALA A 1 178 ? -37.193 1.609   -19.255 1.00 11.12 ? 184 ALA B C   1 
ATOM   1510 O O   . ALA A 1 178 ? -36.757 1.888   -20.366 1.00 12.96 ? 184 ALA B O   1 
ATOM   1511 C CB  . ALA A 1 178 ? -39.340 2.876   -19.102 1.00 13.45 ? 184 ALA B CB  1 
ATOM   1512 N N   . ALA A 1 179 ? -36.429 1.428   -18.183 1.00 10.56 ? 185 ALA B N   1 
ATOM   1513 C CA  . ALA A 1 179 ? -34.982 1.704   -18.246 1.00 10.95 ? 185 ALA B CA  1 
ATOM   1514 C C   . ALA A 1 179 ? -34.285 0.834   -19.300 1.00 11.40 ? 185 ALA B C   1 
ATOM   1515 O O   . ALA A 1 179 ? -34.674 -0.299  -19.580 1.00 11.13 ? 185 ALA B O   1 
ATOM   1516 C CB  . ALA A 1 179 ? -34.364 1.532   -16.899 1.00 11.33 ? 185 ALA B CB  1 
ATOM   1517 N N   . PRO A 1 180 ? -33.199 1.350   -19.902 1.00 10.87 ? 186 PRO B N   1 
ATOM   1518 C CA  . PRO A 1 180 ? -32.452 0.590   -20.900 1.00 10.80 ? 186 PRO B CA  1 
ATOM   1519 C C   . PRO A 1 180 ? -31.534 -0.515  -20.330 1.00 9.96  ? 186 PRO B C   1 
ATOM   1520 O O   . PRO A 1 180 ? -31.207 -0.488  -19.152 1.00 11.52 ? 186 PRO B O   1 
ATOM   1521 C CB  . PRO A 1 180 ? -31.550 1.660   -21.547 1.00 12.01 ? 186 PRO B CB  1 
ATOM   1522 C CG  . PRO A 1 180 ? -31.290 2.614   -20.436 1.00 13.65 ? 186 PRO B CG  1 
ATOM   1523 C CD  . PRO A 1 180 ? -32.619 2.697   -19.691 1.00 12.86 ? 186 PRO B CD  1 
ATOM   1524 N N   . LEU A 1 181 ? -31.148 -1.445  -21.180 1.00 10.46 ? 187 LEU B N   1 
ATOM   1525 C CA  . LEU A 1 181 ? -29.910 -2.235  -21.002 1.00 10.68 ? 187 LEU B CA  1 
ATOM   1526 C C   . LEU A 1 181 ? -28.762 -1.440  -21.620 1.00 11.47 ? 187 LEU B C   1 
ATOM   1527 O O   . LEU A 1 181 ? -28.918 -0.961  -22.767 1.00 13.15 ? 187 LEU B O   1 
ATOM   1528 C CB  . LEU A 1 181 ? -30.053 -3.604  -21.641 1.00 11.28 ? 187 LEU B CB  1 
ATOM   1529 C CG  . LEU A 1 181 ? -31.082 -4.552  -21.007 1.00 11.38 ? 187 LEU B CG  1 
ATOM   1530 C CD1 . LEU A 1 181 ? -31.181 -5.824  -21.840 1.00 13.06 ? 187 LEU B CD1 1 
ATOM   1531 C CD2 . LEU A 1 181 ? -30.734 -4.891  -19.569 1.00 14.02 ? 187 LEU B CD2 1 
ATOM   1532 N N   . LYS A 1 182 ? -27.600 -1.381  -20.943 1.00 10.91 ? 188 LYS B N   1 
ATOM   1533 C CA  . LYS A 1 182 ? -26.453 -0.605  -21.468 1.00 12.05 ? 188 LYS B CA  1 
ATOM   1534 C C   . LYS A 1 182 ? -25.228 -1.497  -21.443 1.00 12.33 ? 188 LYS B C   1 
ATOM   1535 O O   . LYS A 1 182 ? -24.900 -2.040  -20.352 1.00 13.00 ? 188 LYS B O   1 
ATOM   1536 C CB  . LYS A 1 182 ? -26.199 0.688   -20.677 1.00 13.67 ? 188 LYS B CB  1 
ATOM   1537 C CG  . LYS A 1 182 ? -27.395 1.592   -20.465 1.00 16.80 ? 188 LYS B CG  1 
ATOM   1538 C CD  . LYS A 1 182 ? -26.954 2.922   -19.871 1.00 19.83 ? 188 LYS B CD  1 
ATOM   1539 C CE  . LYS A 1 182 ? -28.070 3.828   -19.439 1.00 24.17 ? 188 LYS B CE  1 
ATOM   1540 N NZ  . LYS A 1 182 ? -27.492 5.016   -18.763 1.00 30.28 ? 188 LYS B NZ  1 
ATOM   1541 N N   . LEU A 1 183 ? -24.479 -1.537  -22.513 1.00 11.97 ? 189 LEU B N   1 
ATOM   1542 C CA  . LEU A 1 183 ? -23.144 -2.195  -22.518 1.00 12.34 ? 189 LEU B CA  1 
ATOM   1543 C C   . LEU A 1 183 ? -22.136 -1.272  -21.851 1.00 13.87 ? 189 LEU B C   1 
ATOM   1544 O O   . LEU A 1 183 ? -22.015 -0.094  -22.304 1.00 18.84 ? 189 LEU B O   1 
ATOM   1545 C CB  . LEU A 1 183 ? -22.783 -2.522  -23.968 1.00 12.71 ? 189 LEU B CB  1 
ATOM   1546 C CG  . LEU A 1 183 ? -23.514 -3.774  -24.470 1.00 14.09 ? 189 LEU B CG  1 
ATOM   1547 C CD1 . LEU A 1 183 ? -23.730 -3.824  -25.970 1.00 18.05 ? 189 LEU B CD1 1 
ATOM   1548 C CD2 . LEU A 1 183 ? -22.887 -5.045  -23.919 1.00 12.54 ? 189 LEU B CD2 1 
ATOM   1549 N N   . CYS A 1 184 ? -21.484 -1.745  -20.806 1.00 15.03 ? 190 CYS B N   1 
ATOM   1550 C CA  . CYS A 1 184 ? -20.573 -0.914  -19.964 1.00 16.82 ? 190 CYS B CA  1 
ATOM   1551 C C   . CYS A 1 184 ? -19.222 -0.790  -20.636 1.00 18.28 ? 190 CYS B C   1 
ATOM   1552 O O   . CYS A 1 184 ? -18.741 -1.697  -21.275 1.00 18.13 ? 190 CYS B O   1 
ATOM   1553 C CB  . CYS A 1 184 ? -20.277 -1.606  -18.659 1.00 18.23 ? 190 CYS B CB  1 
ATOM   1554 S SG  . CYS A 1 184 ? -21.761 -2.055  -17.752 1.00 21.35 ? 190 CYS B SG  1 
ATOM   1555 N N   . PRO A 1 185 ? -18.549 0.355   -20.447 1.00 23.84 ? 191 PRO B N   1 
ATOM   1556 C CA  . PRO A 1 185 ? -17.219 0.541   -20.975 1.00 26.75 ? 191 PRO B CA  1 
ATOM   1557 C C   . PRO A 1 185 ? -16.248 -0.420  -20.290 1.00 25.90 ? 191 PRO B C   1 
ATOM   1558 O O   . PRO A 1 185 ? -16.434 -0.736  -19.103 1.00 26.78 ? 191 PRO B O   1 
ATOM   1559 C CB  . PRO A 1 185 ? -16.932 2.026   -20.657 1.00 26.03 ? 191 PRO B CB  1 
ATOM   1560 C CG  . PRO A 1 185 ? -17.864 2.429   -19.574 1.00 27.34 ? 191 PRO B CG  1 
ATOM   1561 C CD  . PRO A 1 185 ? -19.071 1.533   -19.740 1.00 24.91 ? 191 PRO B CD  1 
ATOM   1562 N N   . LEU A 1 186 ? -15.237 -0.789  -21.072 1.00 31.31 ? 192 LEU B N   1 
ATOM   1563 C CA  . LEU A 1 186 ? -14.019 -1.561  -20.733 1.00 36.30 ? 192 LEU B CA  1 
ATOM   1564 C C   . LEU A 1 186 ? -13.100 -0.718  -19.849 1.00 40.97 ? 192 LEU B C   1 
ATOM   1565 O O   . LEU A 1 186 ? -12.388 -1.349  -19.069 1.00 44.66 ? 192 LEU B O   1 
ATOM   1566 C CB  . LEU A 1 186 ? -13.293 -1.907  -22.040 1.00 39.07 ? 192 LEU B CB  1 
HETATM 1567 C C1  . EDO B 2 .   ? -45.750 -3.351  -23.347 0.58 21.12 ? 201 EDO B C1  1 
HETATM 1568 O O1  . EDO B 2 .   ? -44.422 -3.038  -22.982 0.58 17.42 ? 201 EDO B O1  1 
HETATM 1569 C C2  . EDO B 2 .   ? -46.779 -2.600  -22.576 0.58 23.69 ? 201 EDO B C2  1 
HETATM 1570 O O2  . EDO B 2 .   ? -46.822 -1.230  -22.891 0.58 28.93 ? 201 EDO B O2  1 
HETATM 1571 N N1  . H04 C 3 .   ? -46.607 -8.849  -28.263 0.58 15.19 ? 202 H04 B N1  1 
HETATM 1572 C C4  . H04 C 3 .   ? -44.843 -5.606  -28.582 0.58 13.72 ? 202 H04 B C4  1 
HETATM 1573 C C5  . H04 C 3 .   ? -43.597 -6.045  -28.982 0.58 13.57 ? 202 H04 B C5  1 
HETATM 1574 C C6  . H04 C 3 .   ? -43.336 -7.389  -29.150 0.58 14.05 ? 202 H04 B C6  1 
HETATM 1575 C C7  . H04 C 3 .   ? -44.347 -8.320  -28.928 0.58 14.30 ? 202 H04 B C7  1 
HETATM 1576 C C8  . H04 C 3 .   ? -45.616 -7.894  -28.540 0.58 13.95 ? 202 H04 B C8  1 
HETATM 1577 C C10 . H04 C 3 .   ? -48.081 -10.670 -29.034 0.58 17.07 ? 202 H04 B C10 1 
HETATM 1578 C C1  . H04 C 3 .   ? -47.194 -4.605  -26.220 0.58 19.01 ? 202 H04 B C1  1 
HETATM 1579 C C2  . H04 C 3 .   ? -47.501 -4.840  -27.662 0.58 17.92 ? 202 H04 B C2  1 
HETATM 1580 O O1  . H04 C 3 .   ? -47.136 -6.193  -27.969 0.58 15.69 ? 202 H04 B O1  1 
HETATM 1581 C C3  . H04 C 3 .   ? -45.862 -6.516  -28.343 0.58 14.16 ? 202 H04 B C3  1 
HETATM 1582 C C9  . H04 C 3 .   ? -46.689 -10.077 -29.065 0.58 16.37 ? 202 H04 B C9  1 
HETATM 1583 N N2  . H04 C 3 .   ? -48.474 -10.932 -27.653 0.58 18.06 ? 202 H04 B N2  1 
HETATM 1584 C C11 . H04 C 3 .   ? -48.564 -9.664  -26.923 0.58 16.03 ? 202 H04 B C11 1 
HETATM 1585 C C12 . H04 C 3 .   ? -47.252 -8.894  -26.944 0.58 15.74 ? 202 H04 B C12 1 
HETATM 1586 C C1  . EDO D 2 .   ? -46.116 -6.284  -32.246 0.58 19.32 ? 203 EDO B C1  1 
HETATM 1587 O O1  . EDO D 2 .   ? -45.577 -6.835  -33.430 0.58 18.08 ? 203 EDO B O1  1 
HETATM 1588 C C2  . EDO D 2 .   ? -46.930 -5.083  -32.585 0.58 18.82 ? 203 EDO B C2  1 
HETATM 1589 O O2  . EDO D 2 .   ? -46.231 -4.241  -33.487 0.58 17.73 ? 203 EDO B O2  1 
HETATM 1590 C C1  . EDO E 2 .   ? -50.888 -16.946 -32.756 1.00 33.15 ? 204 EDO B C1  1 
HETATM 1591 O O1  . EDO E 2 .   ? -49.505 -16.560 -32.697 1.00 30.30 ? 204 EDO B O1  1 
HETATM 1592 C C2  . EDO E 2 .   ? -51.553 -17.204 -31.467 1.00 33.17 ? 204 EDO B C2  1 
HETATM 1593 O O2  . EDO E 2 .   ? -51.275 -16.208 -30.497 1.00 39.78 ? 204 EDO B O2  1 
HETATM 1594 S S   . SO4 F 4 .   ? -40.559 -24.526 -26.234 1.00 35.19 ? 205 SO4 B S   1 
HETATM 1595 O O1  . SO4 F 4 .   ? -39.842 -23.555 -26.981 1.00 23.56 ? 205 SO4 B O1  1 
HETATM 1596 O O2  . SO4 F 4 .   ? -41.511 -25.178 -27.088 1.00 40.31 ? 205 SO4 B O2  1 
HETATM 1597 O O3  . SO4 F 4 .   ? -39.594 -25.490 -25.717 1.00 41.28 ? 205 SO4 B O3  1 
HETATM 1598 O O4  . SO4 F 4 .   ? -41.279 -23.926 -25.118 1.00 38.10 ? 205 SO4 B O4  1 
HETATM 1599 O O   . HOH G 5 .   ? -37.198 -19.247 -8.547  1.00 25.59 ? 301 HOH B O   1 
HETATM 1600 O O   . HOH G 5 .   ? -47.242 -16.636 -32.021 1.00 22.24 ? 302 HOH B O   1 
HETATM 1601 O O   . HOH G 5 .   ? -22.882 -1.896  -9.416  1.00 27.25 ? 303 HOH B O   1 
HETATM 1602 O O   . HOH G 5 .   ? -38.743 -15.318 -11.410 1.00 32.00 ? 304 HOH B O   1 
HETATM 1603 O O   . HOH G 5 .   ? -13.593 -23.518 -31.492 1.00 14.48 ? 305 HOH B O   1 
HETATM 1604 O O   . HOH G 5 .   ? -27.140 -28.547 -27.659 1.00 29.75 ? 306 HOH B O   1 
HETATM 1605 O O   . HOH G 5 .   ? -26.160 3.552   -34.965 1.00 33.05 ? 307 HOH B O   1 
HETATM 1606 O O   . HOH G 5 .   ? -15.715 -5.482  -13.484 1.00 33.11 ? 308 HOH B O   1 
HETATM 1607 O O   . HOH G 5 .   ? -45.741 3.730   -33.850 1.00 15.56 ? 309 HOH B O   1 
HETATM 1608 O O   . HOH G 5 .   ? -38.125 2.818   -22.578 1.00 15.70 ? 310 HOH B O   1 
HETATM 1609 O O   . HOH G 5 .   ? -36.094 -22.412 -19.524 1.00 25.74 ? 311 HOH B O   1 
HETATM 1610 O O   . HOH G 5 .   ? -29.570 -12.406 -37.592 1.00 24.26 ? 312 HOH B O   1 
HETATM 1611 O O   . HOH G 5 .   ? -36.736 -23.013 -30.835 1.00 40.77 ? 313 HOH B O   1 
HETATM 1612 O O   . HOH G 5 .   ? -38.976 0.945   -11.678 1.00 26.13 ? 314 HOH B O   1 
HETATM 1613 O O   . HOH G 5 .   ? -18.731 -22.071 -35.707 1.00 16.41 ? 315 HOH B O   1 
HETATM 1614 O O   . HOH G 5 .   ? -40.198 -1.146  -9.483  1.00 25.01 ? 316 HOH B O   1 
HETATM 1615 O O   . HOH G 5 .   ? -12.782 -21.156 -18.627 1.00 31.12 ? 317 HOH B O   1 
HETATM 1616 O O   . HOH G 5 .   ? -24.846 -30.619 -21.928 1.00 39.52 ? 318 HOH B O   1 
HETATM 1617 O O   . HOH G 5 .   ? -33.075 1.212   -33.222 1.00 17.52 ? 319 HOH B O   1 
HETATM 1618 O O   . HOH G 5 .   ? -35.805 -19.125 -30.359 1.00 24.40 ? 320 HOH B O   1 
HETATM 1619 O O   . HOH G 5 .   ? -30.222 -24.035 -33.693 1.00 27.17 ? 321 HOH B O   1 
HETATM 1620 O O   . HOH G 5 .   ? -30.839 -6.773  -11.117 1.00 15.08 ? 322 HOH B O   1 
HETATM 1621 O O   . HOH G 5 .   ? -32.889 -18.230 -37.125 1.00 34.57 ? 323 HOH B O   1 
HETATM 1622 O O   . HOH G 5 .   ? -45.715 0.034   -11.603 1.00 16.08 ? 324 HOH B O   1 
HETATM 1623 O O   . HOH G 5 .   ? -30.936 -20.312 -21.229 1.00 11.80 ? 325 HOH B O   1 
HETATM 1624 O O   . HOH G 5 .   ? -20.510 -6.216  -1.989  1.00 53.75 ? 326 HOH B O   1 
HETATM 1625 O O   . HOH G 5 .   ? -36.898 -16.178 -39.327 1.00 24.96 ? 327 HOH B O   1 
HETATM 1626 O O   . HOH G 5 .   ? -43.088 -15.381 -9.934  1.00 21.38 ? 328 HOH B O   1 
HETATM 1627 O O   . HOH G 5 .   ? -9.470  -18.675 -30.133 1.00 40.42 ? 329 HOH B O   1 
HETATM 1628 O O   . HOH G 5 .   ? -43.042 -7.721  -33.376 0.58 16.22 ? 330 HOH B O   1 
HETATM 1629 O O   . HOH G 5 .   ? -37.393 -25.650 -11.310 1.00 33.79 ? 331 HOH B O   1 
HETATM 1630 O O   . HOH G 5 .   ? -30.783 1.084   -16.775 1.00 26.04 ? 332 HOH B O   1 
HETATM 1631 O O   . HOH G 5 .   ? -38.053 -14.460 -21.285 1.00 33.24 ? 333 HOH B O   1 
HETATM 1632 O O   . HOH G 5 .   ? -9.078  -13.326 -25.173 1.00 36.18 ? 334 HOH B O   1 
HETATM 1633 O O   . HOH G 5 .   ? -23.425 4.358   -24.387 1.00 25.98 ? 335 HOH B O   1 
HETATM 1634 O O   . HOH G 5 .   ? -45.491 7.430   -24.777 1.00 24.05 ? 336 HOH B O   1 
HETATM 1635 O O   . HOH G 5 .   ? -47.133 1.130   -25.098 1.00 24.04 ? 337 HOH B O   1 
HETATM 1636 O O   . HOH G 5 .   ? -11.056 -21.094 -25.088 1.00 31.36 ? 338 HOH B O   1 
HETATM 1637 O O   . HOH G 5 .   ? -17.874 -19.891 -37.424 1.00 30.35 ? 339 HOH B O   1 
HETATM 1638 O O   . HOH G 5 .   ? -17.717 -21.438 -12.362 1.00 18.67 ? 340 HOH B O   1 
HETATM 1639 O O   . HOH G 5 .   ? -18.544 -4.568  -24.477 1.00 17.44 ? 341 HOH B O   1 
HETATM 1640 O O   . HOH G 5 .   ? -19.259 -29.813 -15.823 1.00 27.70 ? 342 HOH B O   1 
HETATM 1641 O O   . HOH G 5 .   ? -36.876 -25.949 -23.744 1.00 34.01 ? 343 HOH B O   1 
HETATM 1642 O O   . HOH G 5 .   ? -40.888 -9.344  -36.615 1.00 21.84 ? 344 HOH B O   1 
HETATM 1643 O O   . HOH G 5 .   ? -23.976 1.090   -10.478 1.00 29.64 ? 345 HOH B O   1 
HETATM 1644 O O   . HOH G 5 .   ? -41.832 1.615   -22.312 1.00 31.19 ? 346 HOH B O   1 
HETATM 1645 O O   . HOH G 5 .   ? -19.950 2.034   -30.370 1.00 31.69 ? 347 HOH B O   1 
HETATM 1646 O O   . HOH G 5 .   ? -38.637 -7.629  -10.548 1.00 14.55 ? 348 HOH B O   1 
HETATM 1647 O O   . HOH G 5 .   ? -46.690 -10.277 -23.538 0.58 17.46 ? 349 HOH B O   1 
HETATM 1648 O O   . HOH G 5 .   ? -13.675 -21.022 -35.189 1.00 31.62 ? 350 HOH B O   1 
HETATM 1649 O O   . HOH G 5 .   ? -16.257 -19.676 -15.589 1.00 22.66 ? 351 HOH B O   1 
HETATM 1650 O O   . HOH G 5 .   ? -45.127 -12.210 -25.894 1.00 28.60 ? 352 HOH B O   1 
HETATM 1651 O O   . HOH G 5 .   ? -35.410 -17.220 -7.970  1.00 31.69 ? 353 HOH B O   1 
HETATM 1652 O O   . HOH G 5 .   ? -10.447 -23.479 -21.682 1.00 30.69 ? 354 HOH B O   1 
HETATM 1653 O O   . HOH G 5 .   ? -17.648 -27.667 -19.649 1.00 20.12 ? 355 HOH B O   1 
HETATM 1654 O O   . HOH G 5 .   ? -41.343 -7.893  -3.361  1.00 48.90 ? 356 HOH B O   1 
HETATM 1655 O O   . HOH G 5 .   ? -27.838 -27.377 -25.896 1.00 23.60 ? 357 HOH B O   1 
HETATM 1656 O O   . HOH G 5 .   ? -26.737 -25.796 -16.407 1.00 17.85 ? 358 HOH B O   1 
HETATM 1657 O O   . HOH G 5 .   ? -26.763 -17.749 -7.714  1.00 16.37 ? 359 HOH B O   1 
HETATM 1658 O O   . HOH G 5 .   ? -16.724 -5.716  -9.264  1.00 31.70 ? 360 HOH B O   1 
HETATM 1659 O O   . HOH G 5 .   ? -40.818 -14.450 -8.170  1.00 26.73 ? 361 HOH B O   1 
HETATM 1660 O O   . HOH G 5 .   ? -38.934 -2.450  -21.134 1.00 13.86 ? 362 HOH B O   1 
HETATM 1661 O O   . HOH G 5 .   ? -43.791 -0.583  -24.073 1.00 26.00 ? 363 HOH B O   1 
HETATM 1662 O O   . HOH G 5 .   ? -34.198 -21.969 -31.325 1.00 18.19 ? 364 HOH B O   1 
HETATM 1663 O O   . HOH G 5 .   ? -41.899 -9.771  -43.460 1.00 23.91 ? 365 HOH B O   1 
HETATM 1664 O O   . HOH G 5 .   ? -26.644 1.875   -10.711 1.00 27.83 ? 366 HOH B O   1 
HETATM 1665 O O   . HOH G 5 .   ? -19.497 -4.309  -21.860 1.00 15.22 ? 367 HOH B O   1 
HETATM 1666 O O   . HOH G 5 .   ? -28.500 -21.795 -8.940  1.00 17.58 ? 368 HOH B O   1 
HETATM 1667 O O   . HOH G 5 .   ? -36.361 -1.705  -33.654 1.00 17.51 ? 369 HOH B O   1 
HETATM 1668 O O   . HOH G 5 .   ? -25.785 -22.754 -35.389 1.00 24.24 ? 370 HOH B O   1 
HETATM 1669 O O   . HOH G 5 .   ? -38.602 3.875   -42.007 1.00 20.82 ? 371 HOH B O   1 
HETATM 1670 O O   . HOH G 5 .   ? -41.148 -5.989  -37.768 1.00 20.75 ? 372 HOH B O   1 
HETATM 1671 O O   . HOH G 5 .   ? -32.346 -5.065  -12.727 1.00 13.87 ? 373 HOH B O   1 
HETATM 1672 O O   . HOH G 5 .   ? -23.429 2.301   -22.672 1.00 27.17 ? 374 HOH B O   1 
HETATM 1673 O O   . HOH G 5 .   ? -42.690 -5.763  -12.045 1.00 19.36 ? 375 HOH B O   1 
HETATM 1674 O O   . HOH G 5 .   ? -36.653 -0.965  -21.881 1.00 12.87 ? 376 HOH B O   1 
HETATM 1675 O O   . HOH G 5 .   ? -18.271 -17.248 -36.058 1.00 24.38 ? 377 HOH B O   1 
HETATM 1676 O O   . HOH G 5 .   ? -40.337 -14.261 -31.240 1.00 12.45 ? 378 HOH B O   1 
HETATM 1677 O O   . HOH G 5 .   ? -50.008 -2.200  -19.277 1.00 27.87 ? 379 HOH B O   1 
HETATM 1678 O O   . HOH G 5 .   ? -20.940 -16.351 -5.389  1.00 18.56 ? 380 HOH B O   1 
HETATM 1679 O O   . HOH G 5 .   ? -17.796 -4.584  -5.356  1.00 43.03 ? 381 HOH B O   1 
HETATM 1680 O O   . HOH G 5 .   ? -42.325 -3.909  -39.133 1.00 18.60 ? 382 HOH B O   1 
HETATM 1681 O O   . HOH G 5 .   ? -34.873 -9.211  -5.880  1.00 50.46 ? 383 HOH B O   1 
HETATM 1682 O O   . HOH G 5 .   ? -12.816 -18.494 -34.706 1.00 38.12 ? 384 HOH B O   1 
HETATM 1683 O O   . HOH G 5 .   ? -25.448 -10.470 -23.388 1.00 12.67 ? 385 HOH B O   1 
HETATM 1684 O O   . HOH G 5 .   ? -51.180 -11.243 -28.508 0.58 34.18 ? 386 HOH B O   1 
HETATM 1685 O O   . HOH G 5 .   ? -42.111 -11.460 -38.765 1.00 22.83 ? 387 HOH B O   1 
HETATM 1686 O O   . HOH G 5 .   ? -23.974 -12.524 -6.422  1.00 19.90 ? 388 HOH B O   1 
HETATM 1687 O O   . HOH G 5 .   ? -45.885 -19.496 -31.261 1.00 26.58 ? 389 HOH B O   1 
HETATM 1688 O O   . HOH G 5 .   ? -52.664 -14.331 -28.832 1.00 38.19 ? 390 HOH B O   1 
HETATM 1689 O O   . HOH G 5 .   ? -20.692 -27.445 -29.760 1.00 15.65 ? 391 HOH B O   1 
HETATM 1690 O O   . HOH G 5 .   ? -37.154 0.812   -15.297 1.00 15.36 ? 392 HOH B O   1 
HETATM 1691 O O   . HOH G 5 .   ? -35.968 -2.796  -10.029 1.00 37.36 ? 393 HOH B O   1 
HETATM 1692 O O   . HOH G 5 .   ? -33.468 -1.750  -38.266 1.00 24.72 ? 394 HOH B O   1 
HETATM 1693 O O   . HOH G 5 .   ? -36.690 -0.094  -42.126 1.00 30.56 ? 395 HOH B O   1 
HETATM 1694 O O   . HOH G 5 .   ? -34.045 -21.876 -36.469 1.00 35.83 ? 396 HOH B O   1 
HETATM 1695 O O   . HOH G 5 .   ? -33.171 -17.248 -3.986  1.00 26.31 ? 397 HOH B O   1 
HETATM 1696 O O   . HOH G 5 .   ? -9.515  -20.683 -28.782 1.00 37.95 ? 398 HOH B O   1 
HETATM 1697 O O   . HOH G 5 .   ? -33.482 -15.019 -6.824  1.00 21.53 ? 399 HOH B O   1 
HETATM 1698 O O   . HOH G 5 .   ? -24.830 -15.174 -6.664  1.00 17.28 ? 400 HOH B O   1 
HETATM 1699 O O   . HOH G 5 .   ? -25.865 -26.914 -23.841 1.00 16.14 ? 401 HOH B O   1 
HETATM 1700 O O   . HOH G 5 .   ? -31.669 3.497   -26.532 1.00 23.38 ? 402 HOH B O   1 
HETATM 1701 O O   . HOH G 5 .   ? -14.931 -19.914 -37.478 1.00 26.22 ? 403 HOH B O   1 
HETATM 1702 O O   . HOH G 5 .   ? -35.626 -4.452  -41.899 1.00 20.33 ? 404 HOH B O   1 
HETATM 1703 O O   . HOH G 5 .   ? -40.100 2.649   -15.872 1.00 14.91 ? 405 HOH B O   1 
HETATM 1704 O O   . HOH G 5 .   ? -9.445  -15.954 -26.470 1.00 27.82 ? 406 HOH B O   1 
HETATM 1705 O O   . HOH G 5 .   ? -41.583 -8.506  -13.068 1.00 17.68 ? 407 HOH B O   1 
HETATM 1706 O O   . HOH G 5 .   ? -25.127 -14.528 -3.464  1.00 32.76 ? 408 HOH B O   1 
HETATM 1707 O O   . HOH G 5 .   ? -24.201 -26.798 -16.192 1.00 21.46 ? 409 HOH B O   1 
HETATM 1708 O O   . HOH G 5 .   ? -40.850 6.428   -32.815 1.00 32.65 ? 410 HOH B O   1 
HETATM 1709 O O   . HOH G 5 .   ? -14.451 -16.555 -33.135 1.00 29.16 ? 411 HOH B O   1 
HETATM 1710 O O   . HOH G 5 .   ? -28.780 8.005   -29.625 1.00 34.44 ? 412 HOH B O   1 
HETATM 1711 O O   . HOH G 5 .   ? -42.492 -4.891  -43.517 1.00 20.26 ? 413 HOH B O   1 
HETATM 1712 O O   . HOH G 5 .   ? -41.179 -8.757  -19.297 1.00 14.10 ? 414 HOH B O   1 
HETATM 1713 O O   . HOH G 5 .   ? -24.274 -4.110  -36.663 1.00 37.73 ? 415 HOH B O   1 
HETATM 1714 O O   . HOH G 5 .   ? -17.852 -16.151 -6.171  1.00 26.21 ? 416 HOH B O   1 
HETATM 1715 O O   . HOH G 5 .   ? -25.242 7.076   -28.662 1.00 28.87 ? 417 HOH B O   1 
HETATM 1716 O O   . HOH G 5 .   ? -15.897 -14.740 -8.566  1.00 37.53 ? 418 HOH B O   1 
HETATM 1717 O O   . HOH G 5 .   ? -41.542 5.346   -28.059 1.00 25.43 ? 419 HOH B O   1 
HETATM 1718 O O   . HOH G 5 .   ? -17.940 -11.010 -35.471 1.00 28.95 ? 420 HOH B O   1 
HETATM 1719 O O   . HOH G 5 .   ? -40.107 -11.593 -22.458 1.00 31.04 ? 421 HOH B O   1 
HETATM 1720 O O   . HOH G 5 .   ? -43.461 3.789   -18.605 1.00 20.15 ? 422 HOH B O   1 
HETATM 1721 O O   . HOH G 5 .   ? -34.384 -7.337  -7.707  1.00 29.02 ? 423 HOH B O   1 
HETATM 1722 O O   . HOH G 5 .   ? -24.623 -11.227 -4.040  1.00 23.26 ? 424 HOH B O   1 
HETATM 1723 O O   . HOH G 5 .   ? -31.197 4.093   -24.085 1.00 24.73 ? 425 HOH B O   1 
HETATM 1724 O O   . HOH G 5 .   ? -13.264 -6.303  -29.073 1.00 34.57 ? 426 HOH B O   1 
HETATM 1725 O O   . HOH G 5 .   ? -19.088 -29.154 -23.349 1.00 35.13 ? 427 HOH B O   1 
HETATM 1726 O O   . HOH G 5 .   ? -40.501 -7.288  -34.830 1.00 15.53 ? 428 HOH B O   1 
HETATM 1727 O O   . HOH G 5 .   ? -20.015 2.291   -23.761 1.00 37.12 ? 429 HOH B O   1 
HETATM 1728 O O   . HOH G 5 .   ? -36.801 -6.619  -8.700  1.00 25.73 ? 430 HOH B O   1 
HETATM 1729 O O   . HOH G 5 .   ? -16.061 -7.450  -11.119 1.00 35.00 ? 431 HOH B O   1 
HETATM 1730 O O   . HOH G 5 .   ? -38.798 4.116   -13.700 1.00 28.23 ? 432 HOH B O   1 
HETATM 1731 O O   . HOH G 5 .   ? -15.898 -12.446 -5.504  1.00 42.20 ? 433 HOH B O   1 
HETATM 1732 O O   . HOH G 5 .   ? -47.884 0.000   -32.526 0.50 19.91 ? 434 HOH B O   1 
HETATM 1733 O O   . HOH G 5 .   ? -38.239 -5.021  -4.521  0.58 38.59 ? 435 HOH B O   1 
HETATM 1734 O O   . HOH G 5 .   ? -32.773 -23.656 -33.112 1.00 35.82 ? 436 HOH B O   1 
HETATM 1735 O O   . HOH G 5 .   ? -34.310 5.558   -17.884 1.00 31.88 ? 437 HOH B O   1 
HETATM 1736 O O   . HOH G 5 .   ? -31.004 -17.512 -42.561 1.00 40.05 ? 438 HOH B O   1 
HETATM 1737 O O   . HOH G 5 .   ? -8.450  -23.095 -29.973 1.00 29.07 ? 439 HOH B O   1 
HETATM 1738 O O   . HOH G 5 .   ? -21.684 6.866   -32.072 1.00 29.09 ? 440 HOH B O   1 
HETATM 1739 O O   . HOH G 5 .   ? -40.496 4.974   -21.927 1.00 24.74 ? 441 HOH B O   1 
HETATM 1740 O O   . HOH G 5 .   ? -26.342 -28.244 -21.520 1.00 35.25 ? 442 HOH B O   1 
HETATM 1741 O O   . HOH G 5 .   ? -41.576 -15.390 -17.603 1.00 46.63 ? 443 HOH B O   1 
HETATM 1742 O O   . HOH G 5 .   ? -22.979 3.310   -20.296 1.00 38.96 ? 444 HOH B O   1 
HETATM 1743 O O   . HOH G 5 .   ? -38.745 -16.372 -40.806 1.00 38.38 ? 445 HOH B O   1 
HETATM 1744 O O   . HOH G 5 .   ? -15.983 -22.358 -14.507 1.00 28.94 ? 446 HOH B O   1 
HETATM 1745 O O   . HOH G 5 .   ? -28.549 -27.832 -16.875 1.00 24.99 ? 447 HOH B O   1 
HETATM 1746 O O   . HOH G 5 .   ? -16.223 -26.824 -17.151 1.00 39.63 ? 448 HOH B O   1 
HETATM 1747 O O   . HOH G 5 .   ? -26.465 -31.287 -23.796 1.00 25.83 ? 449 HOH B O   1 
HETATM 1748 O O   . HOH G 5 .   ? -36.943 2.272   -43.575 1.00 31.92 ? 450 HOH B O   1 
HETATM 1749 O O   . HOH G 5 .   ? -42.280 -12.886 -22.106 1.00 28.47 ? 451 HOH B O   1 
# 
