data_7HO6
# 
_entry.id   7HO6 
# 
_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   7HO6         pdb_00007ho6 10.2210/pdb7ho6/pdb 
WWPDB D_1001407720 ?            ?                   
# 
_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                        7HO6 
_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           N 
_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 4-benzylpiperazine-2,6-dione         204.225   1  ?        ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL                       62.068    1  ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                        96.063    1  ?        ? ? ? 
5 water       nat water                                18.015    35 ?        ? ? ? 
# 
_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 4-benzylpiperazine-2,6-dione A1BF1 
3 1,2-ETHANEDIOL               EDO   
4 'SULFATE ION'                SO4   
5 water                        HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1BF1 non-polymer         . 4-benzylpiperazine-2,6-dione ?                 'C11 H12 N2 O2'  204.225 
ALA   'L-peptide linking' y ALANINE                      ?                 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE                     ?                 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE                   ?                 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID'              ?                 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE                     ?                 'C3 H7 N O2 S'   121.158 
EDO   non-polymer         . 1,2-ETHANEDIOL               'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN   'L-peptide linking' y GLUTAMINE                    ?                 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'              ?                 'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE                      ?                 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking' y HISTIDINE                    ?                 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER                        ?                 'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE                   ?                 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE                      ?                 'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE                       ?                 'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE                   ?                 'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE                ?                 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE                      ?                 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE                       ?                 'C3 H7 N O3'     105.093 
SO4   non-polymer         . 'SULFATE ION'                ?                 'O4 S -2'        96.063  
THR   'L-peptide linking' y THREONINE                    ?                 'C4 H9 N O3'     119.119 
TRP   'L-peptide linking' y TRYPTOPHAN                   ?                 'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking' y TYROSINE                     ?                 'C9 H11 N O3'    181.189 
VAL   'L-peptide linking' y VALINE                       ?                 'C5 H11 N O2'    117.146 
# 
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        A1BF1 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BF1 
_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 A1BF1 1  201 302 A1BF1 LIG B . 
C 3 EDO   1  202 305 EDO   EDO B . 
D 4 SO4   1  203 1   SO4   SO4 B . 
E 5 HOH   1  301 4   HOH   HOH B . 
E 5 HOH   2  302 33  HOH   HOH B . 
E 5 HOH   3  303 22  HOH   HOH B . 
E 5 HOH   4  304 63  HOH   HOH B . 
E 5 HOH   5  305 9   HOH   HOH B . 
E 5 HOH   6  306 95  HOH   HOH B . 
E 5 HOH   7  307 27  HOH   HOH B . 
E 5 HOH   8  308 2   HOH   HOH B . 
E 5 HOH   9  309 100 HOH   HOH B . 
E 5 HOH   10 310 28  HOH   HOH B . 
E 5 HOH   11 311 27  HOH   HOH B . 
E 5 HOH   12 312 22  HOH   HOH B . 
E 5 HOH   13 313 126 HOH   HOH B . 
E 5 HOH   14 314 4   HOH   HOH B . 
E 5 HOH   15 315 50  HOH   HOH B . 
E 5 HOH   16 316 6   HOH   HOH B . 
E 5 HOH   17 317 1   HOH   HOH B . 
E 5 HOH   18 318 59  HOH   HOH B . 
E 5 HOH   19 319 137 HOH   HOH B . 
E 5 HOH   20 320 45  HOH   HOH B . 
E 5 HOH   21 321 13  HOH   HOH B . 
E 5 HOH   22 322 25  HOH   HOH B . 
E 5 HOH   23 323 3   HOH   HOH B . 
E 5 HOH   24 324 14  HOH   HOH B . 
E 5 HOH   25 325 304 HOH   HOH B . 
E 5 HOH   26 326 23  HOH   HOH B . 
E 5 HOH   27 327 30  HOH   HOH B . 
E 5 HOH   28 328 8   HOH   HOH B . 
E 5 HOH   29 329 120 HOH   HOH B . 
E 5 HOH   30 330 5   HOH   HOH B . 
E 5 HOH   31 331 53  HOH   HOH B . 
E 5 HOH   32 332 263 HOH   HOH B . 
E 5 HOH   33 333 257 HOH   HOH B . 
E 5 HOH   34 334 41  HOH   HOH B . 
E 5 HOH   35 335 107 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           7HO6 
_cell.length_a           95.315 
_cell.length_b           95.315 
_cell.length_c           45.735 
_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                         7HO6 
_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          7HO6 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.40 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.85 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-04 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HO6 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.390 
_reflns.d_resolution_high            1.240 
_reflns.number_obs                   55008 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         94.500 
_reflns.pdbx_Rmerge_I_obs            0.075 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        16.700 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              10.500 
_reflns.pdbx_Rrim_I_all              0.079 
_reflns.pdbx_Rpim_I_all              0.023 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     578808 
_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 1.240 1.260  ? 4966 1788 ? 1.446 ? ? ? 2.800  ? 0.600  ? ? ? ? ? ? 62.700 1.757 0.972 0.228 
1 2 6.790 67.390 ? 4823 389  ? 0.046 ? ? ? 12.400 ? 74.500 ? ? ? ? ? ? 99.900 0.048 0.015 0.975 
# 
_refine.entry_id                                 7HO6 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.2400 
_refine.ls_d_res_low                             67.4000 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    94.3600 
_refine.ls_number_reflns_obs                     52327 
_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                          0.1761 
_refine.ls_R_factor_R_work                       0.1752 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1924 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.8000 
_refine.ls_number_reflns_R_free                  2661 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               15.9510 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.1100 
_refine.aniso_B[2][2]                            0.1100 
_refine.aniso_B[3][3]                            -0.2200 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            -0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9710 
_refine.correlation_coeff_Fo_to_Fc_free          0.9640 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.overall_SU_R_free                        ? 
_refine.pdbx_overall_ESU_R                       0.0490 
_refine.pdbx_overall_ESU_R_Free                  0.0490 
_refine.overall_SU_ML                            0.0390 
_refine.overall_SU_B                             0.9610 
_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                                73.280 
_refine.B_iso_min                                8.030 
_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                       1.2400 
_refine_hist.d_res_low                        67.4000 
_refine_hist.pdbx_number_atoms_ligand         24 
_refine_hist.number_atoms_solvent             35 
_refine_hist.number_atoms_total               1552 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           34.31 
_refine_hist.pdbx_B_iso_mean_solvent          22.79 
_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       2195 0.013  0.014  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1648 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2588 1.879  1.638  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3807 1.450  1.581  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 244  7.317  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 110  27.752 21.455 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 291  11.340 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.969 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         228  0.090  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2311 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     507  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            1113 1.265  1.516  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         998  1.316  1.378  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1174 2.099  2.072  ? ? 
# 
_refine_ls_shell.d_res_high                       1.2400 
_refine_ls_shell.d_res_low                        1.2720 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               64.1100 
_refine_ls_shell.number_reflns_R_work             2632 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3330 
_refine_ls_shell.R_factor_R_free                  0.3250 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             133 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2765 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HO6 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z3220108246' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HO6 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HO6 
_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 7HO6 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HO6 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HO6 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HO6 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HO6 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HO6 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HO6 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HO6 MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -0.73 
# 
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                   7HO6 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_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 34 ? ? CZ B ARG 34 ? ? NH1 B ARG 34 ? ? 123.49 120.30 3.19  0.50 N 
2 1 CG B ARG 64 ? ? CD B ARG 64 ? ? NE  B ARG 64 ? ? 128.07 111.80 16.27 2.10 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  ? ? 72.57   34.33 
2 1 ASP B 152 ? ? -100.02 51.51 
# 
_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 
A1BF1 N1   N N N 1   
A1BF1 C4   C Y N 2   
A1BF1 C5   C Y N 3   
A1BF1 C6   C Y N 4   
A1BF1 C7   C Y N 5   
A1BF1 C8   C Y N 6   
A1BF1 C10  C N N 7   
A1BF1 C1   C N N 8   
A1BF1 C11  C N N 9   
A1BF1 C2   C N N 10  
A1BF1 C3   C N N 11  
A1BF1 C9   C Y N 12  
A1BF1 N2   N N N 13  
A1BF1 O1   O N N 14  
A1BF1 O2   O N N 15  
A1BF1 H5   H N N 16  
A1BF1 H6   H N N 17  
A1BF1 H7   H N N 18  
A1BF1 H8   H N N 19  
A1BF1 H11  H N N 20  
A1BF1 H10  H N N 21  
A1BF1 H1   H N N 22  
A1BF1 H2   H N N 23  
A1BF1 H3   H N N 24  
A1BF1 H4   H N N 25  
A1BF1 H9   H N N 26  
A1BF1 H12  H N N 27  
ALA   N    N N N 28  
ALA   CA   C N S 29  
ALA   C    C N N 30  
ALA   O    O N N 31  
ALA   CB   C N N 32  
ALA   OXT  O N N 33  
ALA   H    H N N 34  
ALA   H2   H N N 35  
ALA   HA   H N N 36  
ALA   HB1  H N N 37  
ALA   HB2  H N N 38  
ALA   HB3  H N N 39  
ALA   HXT  H N N 40  
ARG   N    N N N 41  
ARG   CA   C N S 42  
ARG   C    C N N 43  
ARG   O    O N N 44  
ARG   CB   C N N 45  
ARG   CG   C N N 46  
ARG   CD   C N N 47  
ARG   NE   N N N 48  
ARG   CZ   C N N 49  
ARG   NH1  N N N 50  
ARG   NH2  N N N 51  
ARG   OXT  O N N 52  
ARG   H    H N N 53  
ARG   H2   H N N 54  
ARG   HA   H N N 55  
ARG   HB2  H N N 56  
ARG   HB3  H N N 57  
ARG   HG2  H N N 58  
ARG   HG3  H N N 59  
ARG   HD2  H N N 60  
ARG   HD3  H N N 61  
ARG   HE   H N N 62  
ARG   HH11 H N N 63  
ARG   HH12 H N N 64  
ARG   HH21 H N N 65  
ARG   HH22 H N N 66  
ARG   HXT  H N N 67  
ASN   N    N N N 68  
ASN   CA   C N S 69  
ASN   C    C N N 70  
ASN   O    O N N 71  
ASN   CB   C N N 72  
ASN   CG   C N N 73  
ASN   OD1  O N N 74  
ASN   ND2  N N N 75  
ASN   OXT  O N N 76  
ASN   H    H N N 77  
ASN   H2   H N N 78  
ASN   HA   H N N 79  
ASN   HB2  H N N 80  
ASN   HB3  H N N 81  
ASN   HD21 H N N 82  
ASN   HD22 H N N 83  
ASN   HXT  H N N 84  
ASP   N    N N N 85  
ASP   CA   C N S 86  
ASP   C    C N N 87  
ASP   O    O N N 88  
ASP   CB   C N N 89  
ASP   CG   C N N 90  
ASP   OD1  O N N 91  
ASP   OD2  O N N 92  
ASP   OXT  O N N 93  
ASP   H    H N N 94  
ASP   H2   H N N 95  
ASP   HA   H N N 96  
ASP   HB2  H N N 97  
ASP   HB3  H N N 98  
ASP   HD2  H N N 99  
ASP   HXT  H N N 100 
CYS   N    N N N 101 
CYS   CA   C N R 102 
CYS   C    C N N 103 
CYS   O    O N N 104 
CYS   CB   C N N 105 
CYS   SG   S N N 106 
CYS   OXT  O N N 107 
CYS   H    H N N 108 
CYS   H2   H N N 109 
CYS   HA   H N N 110 
CYS   HB2  H N N 111 
CYS   HB3  H N N 112 
CYS   HG   H N N 113 
CYS   HXT  H N N 114 
EDO   C1   C N N 115 
EDO   O1   O N N 116 
EDO   C2   C N N 117 
EDO   O2   O N N 118 
EDO   H11  H N N 119 
EDO   H12  H N N 120 
EDO   HO1  H N N 121 
EDO   H21  H N N 122 
EDO   H22  H N N 123 
EDO   HO2  H N N 124 
GLN   N    N N N 125 
GLN   CA   C N S 126 
GLN   C    C N N 127 
GLN   O    O N N 128 
GLN   CB   C N N 129 
GLN   CG   C N N 130 
GLN   CD   C N N 131 
GLN   OE1  O N N 132 
GLN   NE2  N N N 133 
GLN   OXT  O N N 134 
GLN   H    H N N 135 
GLN   H2   H N N 136 
GLN   HA   H N N 137 
GLN   HB2  H N N 138 
GLN   HB3  H N N 139 
GLN   HG2  H N N 140 
GLN   HG3  H N N 141 
GLN   HE21 H N N 142 
GLN   HE22 H N N 143 
GLN   HXT  H N N 144 
GLU   N    N N N 145 
GLU   CA   C N S 146 
GLU   C    C N N 147 
GLU   O    O N N 148 
GLU   CB   C N N 149 
GLU   CG   C N N 150 
GLU   CD   C N N 151 
GLU   OE1  O N N 152 
GLU   OE2  O N N 153 
GLU   OXT  O N N 154 
GLU   H    H N N 155 
GLU   H2   H N N 156 
GLU   HA   H N N 157 
GLU   HB2  H N N 158 
GLU   HB3  H N N 159 
GLU   HG2  H N N 160 
GLU   HG3  H N N 161 
GLU   HE2  H N N 162 
GLU   HXT  H N N 163 
GLY   N    N N N 164 
GLY   CA   C N N 165 
GLY   C    C N N 166 
GLY   O    O N N 167 
GLY   OXT  O N N 168 
GLY   H    H N N 169 
GLY   H2   H N N 170 
GLY   HA2  H N N 171 
GLY   HA3  H N N 172 
GLY   HXT  H N N 173 
HIS   N    N N N 174 
HIS   CA   C N S 175 
HIS   C    C N N 176 
HIS   O    O N N 177 
HIS   CB   C N N 178 
HIS   CG   C Y N 179 
HIS   ND1  N Y N 180 
HIS   CD2  C Y N 181 
HIS   CE1  C Y N 182 
HIS   NE2  N Y N 183 
HIS   OXT  O N N 184 
HIS   H    H N N 185 
HIS   H2   H N N 186 
HIS   HA   H N N 187 
HIS   HB2  H N N 188 
HIS   HB3  H N N 189 
HIS   HD1  H N N 190 
HIS   HD2  H N N 191 
HIS   HE1  H N N 192 
HIS   HE2  H N N 193 
HIS   HXT  H N N 194 
HOH   O    O N N 195 
HOH   H1   H N N 196 
HOH   H2   H N N 197 
ILE   N    N N N 198 
ILE   CA   C N S 199 
ILE   C    C N N 200 
ILE   O    O N N 201 
ILE   CB   C N S 202 
ILE   CG1  C N N 203 
ILE   CG2  C N N 204 
ILE   CD1  C N N 205 
ILE   OXT  O N N 206 
ILE   H    H N N 207 
ILE   H2   H N N 208 
ILE   HA   H N N 209 
ILE   HB   H N N 210 
ILE   HG12 H N N 211 
ILE   HG13 H N N 212 
ILE   HG21 H N N 213 
ILE   HG22 H N N 214 
ILE   HG23 H N N 215 
ILE   HD11 H N N 216 
ILE   HD12 H N N 217 
ILE   HD13 H N N 218 
ILE   HXT  H N N 219 
LEU   N    N N N 220 
LEU   CA   C N S 221 
LEU   C    C N N 222 
LEU   O    O N N 223 
LEU   CB   C N N 224 
LEU   CG   C N N 225 
LEU   CD1  C N N 226 
LEU   CD2  C N N 227 
LEU   OXT  O N N 228 
LEU   H    H N N 229 
LEU   H2   H N N 230 
LEU   HA   H N N 231 
LEU   HB2  H N N 232 
LEU   HB3  H N N 233 
LEU   HG   H N N 234 
LEU   HD11 H N N 235 
LEU   HD12 H N N 236 
LEU   HD13 H N N 237 
LEU   HD21 H N N 238 
LEU   HD22 H N N 239 
LEU   HD23 H N N 240 
LEU   HXT  H N N 241 
LYS   N    N N N 242 
LYS   CA   C N S 243 
LYS   C    C N N 244 
LYS   O    O N N 245 
LYS   CB   C N N 246 
LYS   CG   C N N 247 
LYS   CD   C N N 248 
LYS   CE   C N N 249 
LYS   NZ   N N N 250 
LYS   OXT  O N N 251 
LYS   H    H N N 252 
LYS   H2   H N N 253 
LYS   HA   H N N 254 
LYS   HB2  H N N 255 
LYS   HB3  H N N 256 
LYS   HG2  H N N 257 
LYS   HG3  H N N 258 
LYS   HD2  H N N 259 
LYS   HD3  H N N 260 
LYS   HE2  H N N 261 
LYS   HE3  H N N 262 
LYS   HZ1  H N N 263 
LYS   HZ2  H N N 264 
LYS   HZ3  H N N 265 
LYS   HXT  H N N 266 
MET   N    N N N 267 
MET   CA   C N S 268 
MET   C    C N N 269 
MET   O    O N N 270 
MET   CB   C N N 271 
MET   CG   C N N 272 
MET   SD   S N N 273 
MET   CE   C N N 274 
MET   OXT  O N N 275 
MET   H    H N N 276 
MET   H2   H N N 277 
MET   HA   H N N 278 
MET   HB2  H N N 279 
MET   HB3  H N N 280 
MET   HG2  H N N 281 
MET   HG3  H N N 282 
MET   HE1  H N N 283 
MET   HE2  H N N 284 
MET   HE3  H N N 285 
MET   HXT  H N N 286 
PHE   N    N N N 287 
PHE   CA   C N S 288 
PHE   C    C N N 289 
PHE   O    O N N 290 
PHE   CB   C N N 291 
PHE   CG   C Y N 292 
PHE   CD1  C Y N 293 
PHE   CD2  C Y N 294 
PHE   CE1  C Y N 295 
PHE   CE2  C Y N 296 
PHE   CZ   C Y N 297 
PHE   OXT  O N N 298 
PHE   H    H N N 299 
PHE   H2   H N N 300 
PHE   HA   H N N 301 
PHE   HB2  H N N 302 
PHE   HB3  H N N 303 
PHE   HD1  H N N 304 
PHE   HD2  H N N 305 
PHE   HE1  H N N 306 
PHE   HE2  H N N 307 
PHE   HZ   H N N 308 
PHE   HXT  H N N 309 
PRO   N    N N N 310 
PRO   CA   C N S 311 
PRO   C    C N N 312 
PRO   O    O N N 313 
PRO   CB   C N N 314 
PRO   CG   C N N 315 
PRO   CD   C N N 316 
PRO   OXT  O N N 317 
PRO   H    H N N 318 
PRO   HA   H N N 319 
PRO   HB2  H N N 320 
PRO   HB3  H N N 321 
PRO   HG2  H N N 322 
PRO   HG3  H N N 323 
PRO   HD2  H N N 324 
PRO   HD3  H N N 325 
PRO   HXT  H N N 326 
SER   N    N N N 327 
SER   CA   C N S 328 
SER   C    C N N 329 
SER   O    O N N 330 
SER   CB   C N N 331 
SER   OG   O N N 332 
SER   OXT  O N N 333 
SER   H    H N N 334 
SER   H2   H N N 335 
SER   HA   H N N 336 
SER   HB2  H N N 337 
SER   HB3  H N N 338 
SER   HG   H N N 339 
SER   HXT  H N N 340 
SO4   S    S N N 341 
SO4   O1   O N N 342 
SO4   O2   O N N 343 
SO4   O3   O N N 344 
SO4   O4   O N N 345 
THR   N    N N N 346 
THR   CA   C N S 347 
THR   C    C N N 348 
THR   O    O N N 349 
THR   CB   C N R 350 
THR   OG1  O N N 351 
THR   CG2  C N N 352 
THR   OXT  O N N 353 
THR   H    H N N 354 
THR   H2   H N N 355 
THR   HA   H N N 356 
THR   HB   H N N 357 
THR   HG1  H N N 358 
THR   HG21 H N N 359 
THR   HG22 H N N 360 
THR   HG23 H N N 361 
THR   HXT  H N N 362 
TRP   N    N N N 363 
TRP   CA   C N S 364 
TRP   C    C N N 365 
TRP   O    O N N 366 
TRP   CB   C N N 367 
TRP   CG   C Y N 368 
TRP   CD1  C Y N 369 
TRP   CD2  C Y N 370 
TRP   NE1  N Y N 371 
TRP   CE2  C Y N 372 
TRP   CE3  C Y N 373 
TRP   CZ2  C Y N 374 
TRP   CZ3  C Y N 375 
TRP   CH2  C Y N 376 
TRP   OXT  O N N 377 
TRP   H    H N N 378 
TRP   H2   H N N 379 
TRP   HA   H N N 380 
TRP   HB2  H N N 381 
TRP   HB3  H N N 382 
TRP   HD1  H N N 383 
TRP   HE1  H N N 384 
TRP   HE3  H N N 385 
TRP   HZ2  H N N 386 
TRP   HZ3  H N N 387 
TRP   HH2  H N N 388 
TRP   HXT  H N N 389 
TYR   N    N N N 390 
TYR   CA   C N S 391 
TYR   C    C N N 392 
TYR   O    O N N 393 
TYR   CB   C N N 394 
TYR   CG   C Y N 395 
TYR   CD1  C Y N 396 
TYR   CD2  C Y N 397 
TYR   CE1  C Y N 398 
TYR   CE2  C Y N 399 
TYR   CZ   C Y N 400 
TYR   OH   O N N 401 
TYR   OXT  O N N 402 
TYR   H    H N N 403 
TYR   H2   H N N 404 
TYR   HA   H N N 405 
TYR   HB2  H N N 406 
TYR   HB3  H N N 407 
TYR   HD1  H N N 408 
TYR   HD2  H N N 409 
TYR   HE1  H N N 410 
TYR   HE2  H N N 411 
TYR   HH   H N N 412 
TYR   HXT  H N N 413 
VAL   N    N N N 414 
VAL   CA   C N S 415 
VAL   C    C N N 416 
VAL   O    O N N 417 
VAL   CB   C N N 418 
VAL   CG1  C N N 419 
VAL   CG2  C N N 420 
VAL   OXT  O N N 421 
VAL   H    H N N 422 
VAL   H2   H N N 423 
VAL   HA   H N N 424 
VAL   HB   H N N 425 
VAL   HG11 H N N 426 
VAL   HG12 H N N 427 
VAL   HG13 H N N 428 
VAL   HG21 H N N 429 
VAL   HG22 H N N 430 
VAL   HG23 H N N 431 
VAL   HXT  H N N 432 
# 
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 
A1BF1 O1  C1   doub N N 1   
A1BF1 C1  C2   sing N N 2   
A1BF1 C2  N1   sing N N 3   
A1BF1 N1  C3   sing N N 4   
A1BF1 C3  C4   sing N N 5   
A1BF1 C4  C5   doub Y N 6   
A1BF1 C5  C6   sing Y N 7   
A1BF1 C6  C7   doub Y N 8   
A1BF1 C7  C8   sing Y N 9   
A1BF1 C8  C9   doub Y N 10  
A1BF1 N1  C10  sing N N 11  
A1BF1 C10 C11  sing N N 12  
A1BF1 C11 O2   doub N N 13  
A1BF1 C11 N2   sing N N 14  
A1BF1 C1  N2   sing N N 15  
A1BF1 C4  C9   sing Y N 16  
A1BF1 C5  H5   sing N N 17  
A1BF1 C6  H6   sing N N 18  
A1BF1 C7  H7   sing N N 19  
A1BF1 C8  H8   sing N N 20  
A1BF1 C10 H11  sing N N 21  
A1BF1 C10 H10  sing N N 22  
A1BF1 C2  H1   sing N N 23  
A1BF1 C2  H2   sing N N 24  
A1BF1 C3  H3   sing N N 25  
A1BF1 C3  H4   sing N N 26  
A1BF1 C9  H9   sing N N 27  
A1BF1 N2  H12  sing N N 28  
ALA   N   CA   sing N N 29  
ALA   N   H    sing N N 30  
ALA   N   H2   sing N N 31  
ALA   CA  C    sing N N 32  
ALA   CA  CB   sing N N 33  
ALA   CA  HA   sing N N 34  
ALA   C   O    doub N N 35  
ALA   C   OXT  sing N N 36  
ALA   CB  HB1  sing N N 37  
ALA   CB  HB2  sing N N 38  
ALA   CB  HB3  sing N N 39  
ALA   OXT HXT  sing N N 40  
ARG   N   CA   sing N N 41  
ARG   N   H    sing N N 42  
ARG   N   H2   sing N N 43  
ARG   CA  C    sing N N 44  
ARG   CA  CB   sing N N 45  
ARG   CA  HA   sing N N 46  
ARG   C   O    doub N N 47  
ARG   C   OXT  sing N N 48  
ARG   CB  CG   sing N N 49  
ARG   CB  HB2  sing N N 50  
ARG   CB  HB3  sing N N 51  
ARG   CG  CD   sing N N 52  
ARG   CG  HG2  sing N N 53  
ARG   CG  HG3  sing N N 54  
ARG   CD  NE   sing N N 55  
ARG   CD  HD2  sing N N 56  
ARG   CD  HD3  sing N N 57  
ARG   NE  CZ   sing N N 58  
ARG   NE  HE   sing N N 59  
ARG   CZ  NH1  sing N N 60  
ARG   CZ  NH2  doub N N 61  
ARG   NH1 HH11 sing N N 62  
ARG   NH1 HH12 sing N N 63  
ARG   NH2 HH21 sing N N 64  
ARG   NH2 HH22 sing N N 65  
ARG   OXT HXT  sing N N 66  
ASN   N   CA   sing N N 67  
ASN   N   H    sing N N 68  
ASN   N   H2   sing N N 69  
ASN   CA  C    sing N N 70  
ASN   CA  CB   sing N N 71  
ASN   CA  HA   sing N N 72  
ASN   C   O    doub N N 73  
ASN   C   OXT  sing N N 74  
ASN   CB  CG   sing N N 75  
ASN   CB  HB2  sing N N 76  
ASN   CB  HB3  sing N N 77  
ASN   CG  OD1  doub N N 78  
ASN   CG  ND2  sing N N 79  
ASN   ND2 HD21 sing N N 80  
ASN   ND2 HD22 sing N N 81  
ASN   OXT HXT  sing N N 82  
ASP   N   CA   sing N N 83  
ASP   N   H    sing N N 84  
ASP   N   H2   sing N N 85  
ASP   CA  C    sing N N 86  
ASP   CA  CB   sing N N 87  
ASP   CA  HA   sing N N 88  
ASP   C   O    doub N N 89  
ASP   C   OXT  sing N N 90  
ASP   CB  CG   sing N N 91  
ASP   CB  HB2  sing N N 92  
ASP   CB  HB3  sing N N 93  
ASP   CG  OD1  doub N N 94  
ASP   CG  OD2  sing N N 95  
ASP   OD2 HD2  sing N N 96  
ASP   OXT HXT  sing N N 97  
CYS   N   CA   sing N N 98  
CYS   N   H    sing N N 99  
CYS   N   H2   sing N N 100 
CYS   CA  C    sing N N 101 
CYS   CA  CB   sing N N 102 
CYS   CA  HA   sing N N 103 
CYS   C   O    doub N N 104 
CYS   C   OXT  sing N N 105 
CYS   CB  SG   sing N N 106 
CYS   CB  HB2  sing N N 107 
CYS   CB  HB3  sing N N 108 
CYS   SG  HG   sing N N 109 
CYS   OXT HXT  sing N N 110 
EDO   C1  O1   sing N N 111 
EDO   C1  C2   sing N N 112 
EDO   C1  H11  sing N N 113 
EDO   C1  H12  sing N N 114 
EDO   O1  HO1  sing N N 115 
EDO   C2  O2   sing N N 116 
EDO   C2  H21  sing N N 117 
EDO   C2  H22  sing N N 118 
EDO   O2  HO2  sing N N 119 
GLN   N   CA   sing N N 120 
GLN   N   H    sing N N 121 
GLN   N   H2   sing N N 122 
GLN   CA  C    sing N N 123 
GLN   CA  CB   sing N N 124 
GLN   CA  HA   sing N N 125 
GLN   C   O    doub N N 126 
GLN   C   OXT  sing N N 127 
GLN   CB  CG   sing N N 128 
GLN   CB  HB2  sing N N 129 
GLN   CB  HB3  sing N N 130 
GLN   CG  CD   sing N N 131 
GLN   CG  HG2  sing N N 132 
GLN   CG  HG3  sing N N 133 
GLN   CD  OE1  doub N N 134 
GLN   CD  NE2  sing N N 135 
GLN   NE2 HE21 sing N N 136 
GLN   NE2 HE22 sing N N 137 
GLN   OXT HXT  sing N N 138 
GLU   N   CA   sing N N 139 
GLU   N   H    sing N N 140 
GLU   N   H2   sing N N 141 
GLU   CA  C    sing N N 142 
GLU   CA  CB   sing N N 143 
GLU   CA  HA   sing N N 144 
GLU   C   O    doub N N 145 
GLU   C   OXT  sing N N 146 
GLU   CB  CG   sing N N 147 
GLU   CB  HB2  sing N N 148 
GLU   CB  HB3  sing N N 149 
GLU   CG  CD   sing N N 150 
GLU   CG  HG2  sing N N 151 
GLU   CG  HG3  sing N N 152 
GLU   CD  OE1  doub N N 153 
GLU   CD  OE2  sing N N 154 
GLU   OE2 HE2  sing N N 155 
GLU   OXT HXT  sing N N 156 
GLY   N   CA   sing N N 157 
GLY   N   H    sing N N 158 
GLY   N   H2   sing N N 159 
GLY   CA  C    sing N N 160 
GLY   CA  HA2  sing N N 161 
GLY   CA  HA3  sing N N 162 
GLY   C   O    doub N N 163 
GLY   C   OXT  sing N N 164 
GLY   OXT HXT  sing N N 165 
HIS   N   CA   sing N N 166 
HIS   N   H    sing N N 167 
HIS   N   H2   sing N N 168 
HIS   CA  C    sing N N 169 
HIS   CA  CB   sing N N 170 
HIS   CA  HA   sing N N 171 
HIS   C   O    doub N N 172 
HIS   C   OXT  sing N N 173 
HIS   CB  CG   sing N N 174 
HIS   CB  HB2  sing N N 175 
HIS   CB  HB3  sing N N 176 
HIS   CG  ND1  sing Y N 177 
HIS   CG  CD2  doub Y N 178 
HIS   ND1 CE1  doub Y N 179 
HIS   ND1 HD1  sing N N 180 
HIS   CD2 NE2  sing Y N 181 
HIS   CD2 HD2  sing N N 182 
HIS   CE1 NE2  sing Y N 183 
HIS   CE1 HE1  sing N N 184 
HIS   NE2 HE2  sing N N 185 
HIS   OXT HXT  sing N N 186 
HOH   O   H1   sing N N 187 
HOH   O   H2   sing N N 188 
ILE   N   CA   sing N N 189 
ILE   N   H    sing N N 190 
ILE   N   H2   sing N N 191 
ILE   CA  C    sing N N 192 
ILE   CA  CB   sing N N 193 
ILE   CA  HA   sing N N 194 
ILE   C   O    doub N N 195 
ILE   C   OXT  sing N N 196 
ILE   CB  CG1  sing N N 197 
ILE   CB  CG2  sing N N 198 
ILE   CB  HB   sing N N 199 
ILE   CG1 CD1  sing N N 200 
ILE   CG1 HG12 sing N N 201 
ILE   CG1 HG13 sing N N 202 
ILE   CG2 HG21 sing N N 203 
ILE   CG2 HG22 sing N N 204 
ILE   CG2 HG23 sing N N 205 
ILE   CD1 HD11 sing N N 206 
ILE   CD1 HD12 sing N N 207 
ILE   CD1 HD13 sing N N 208 
ILE   OXT HXT  sing N N 209 
LEU   N   CA   sing N N 210 
LEU   N   H    sing N N 211 
LEU   N   H2   sing N N 212 
LEU   CA  C    sing N N 213 
LEU   CA  CB   sing N N 214 
LEU   CA  HA   sing N N 215 
LEU   C   O    doub N N 216 
LEU   C   OXT  sing N N 217 
LEU   CB  CG   sing N N 218 
LEU   CB  HB2  sing N N 219 
LEU   CB  HB3  sing N N 220 
LEU   CG  CD1  sing N N 221 
LEU   CG  CD2  sing N N 222 
LEU   CG  HG   sing N N 223 
LEU   CD1 HD11 sing N N 224 
LEU   CD1 HD12 sing N N 225 
LEU   CD1 HD13 sing N N 226 
LEU   CD2 HD21 sing N N 227 
LEU   CD2 HD22 sing N N 228 
LEU   CD2 HD23 sing N N 229 
LEU   OXT HXT  sing N N 230 
LYS   N   CA   sing N N 231 
LYS   N   H    sing N N 232 
LYS   N   H2   sing N N 233 
LYS   CA  C    sing N N 234 
LYS   CA  CB   sing N N 235 
LYS   CA  HA   sing N N 236 
LYS   C   O    doub N N 237 
LYS   C   OXT  sing N N 238 
LYS   CB  CG   sing N N 239 
LYS   CB  HB2  sing N N 240 
LYS   CB  HB3  sing N N 241 
LYS   CG  CD   sing N N 242 
LYS   CG  HG2  sing N N 243 
LYS   CG  HG3  sing N N 244 
LYS   CD  CE   sing N N 245 
LYS   CD  HD2  sing N N 246 
LYS   CD  HD3  sing N N 247 
LYS   CE  NZ   sing N N 248 
LYS   CE  HE2  sing N N 249 
LYS   CE  HE3  sing N N 250 
LYS   NZ  HZ1  sing N N 251 
LYS   NZ  HZ2  sing N N 252 
LYS   NZ  HZ3  sing N N 253 
LYS   OXT HXT  sing N N 254 
MET   N   CA   sing N N 255 
MET   N   H    sing N N 256 
MET   N   H2   sing N N 257 
MET   CA  C    sing N N 258 
MET   CA  CB   sing N N 259 
MET   CA  HA   sing N N 260 
MET   C   O    doub N N 261 
MET   C   OXT  sing N N 262 
MET   CB  CG   sing N N 263 
MET   CB  HB2  sing N N 264 
MET   CB  HB3  sing N N 265 
MET   CG  SD   sing N N 266 
MET   CG  HG2  sing N N 267 
MET   CG  HG3  sing N N 268 
MET   SD  CE   sing N N 269 
MET   CE  HE1  sing N N 270 
MET   CE  HE2  sing N N 271 
MET   CE  HE3  sing N N 272 
MET   OXT HXT  sing N N 273 
PHE   N   CA   sing N N 274 
PHE   N   H    sing N N 275 
PHE   N   H2   sing N N 276 
PHE   CA  C    sing N N 277 
PHE   CA  CB   sing N N 278 
PHE   CA  HA   sing N N 279 
PHE   C   O    doub N N 280 
PHE   C   OXT  sing N N 281 
PHE   CB  CG   sing N N 282 
PHE   CB  HB2  sing N N 283 
PHE   CB  HB3  sing N N 284 
PHE   CG  CD1  doub Y N 285 
PHE   CG  CD2  sing Y N 286 
PHE   CD1 CE1  sing Y N 287 
PHE   CD1 HD1  sing N N 288 
PHE   CD2 CE2  doub Y N 289 
PHE   CD2 HD2  sing N N 290 
PHE   CE1 CZ   doub Y N 291 
PHE   CE1 HE1  sing N N 292 
PHE   CE2 CZ   sing Y N 293 
PHE   CE2 HE2  sing N N 294 
PHE   CZ  HZ   sing N N 295 
PHE   OXT HXT  sing N N 296 
PRO   N   CA   sing N N 297 
PRO   N   CD   sing N N 298 
PRO   N   H    sing N N 299 
PRO   CA  C    sing N N 300 
PRO   CA  CB   sing N N 301 
PRO   CA  HA   sing N N 302 
PRO   C   O    doub N N 303 
PRO   C   OXT  sing N N 304 
PRO   CB  CG   sing N N 305 
PRO   CB  HB2  sing N N 306 
PRO   CB  HB3  sing N N 307 
PRO   CG  CD   sing N N 308 
PRO   CG  HG2  sing N N 309 
PRO   CG  HG3  sing N N 310 
PRO   CD  HD2  sing N N 311 
PRO   CD  HD3  sing N N 312 
PRO   OXT HXT  sing N N 313 
SER   N   CA   sing N N 314 
SER   N   H    sing N N 315 
SER   N   H2   sing N N 316 
SER   CA  C    sing N N 317 
SER   CA  CB   sing N N 318 
SER   CA  HA   sing N N 319 
SER   C   O    doub N N 320 
SER   C   OXT  sing N N 321 
SER   CB  OG   sing N N 322 
SER   CB  HB2  sing N N 323 
SER   CB  HB3  sing N N 324 
SER   OG  HG   sing N N 325 
SER   OXT HXT  sing N N 326 
SO4   S   O1   doub N N 327 
SO4   S   O2   doub N N 328 
SO4   S   O3   sing N N 329 
SO4   S   O4   sing N N 330 
THR   N   CA   sing N N 331 
THR   N   H    sing N N 332 
THR   N   H2   sing N N 333 
THR   CA  C    sing N N 334 
THR   CA  CB   sing N N 335 
THR   CA  HA   sing N N 336 
THR   C   O    doub N N 337 
THR   C   OXT  sing N N 338 
THR   CB  OG1  sing N N 339 
THR   CB  CG2  sing N N 340 
THR   CB  HB   sing N N 341 
THR   OG1 HG1  sing N N 342 
THR   CG2 HG21 sing N N 343 
THR   CG2 HG22 sing N N 344 
THR   CG2 HG23 sing N N 345 
THR   OXT HXT  sing N N 346 
TRP   N   CA   sing N N 347 
TRP   N   H    sing N N 348 
TRP   N   H2   sing N N 349 
TRP   CA  C    sing N N 350 
TRP   CA  CB   sing N N 351 
TRP   CA  HA   sing N N 352 
TRP   C   O    doub N N 353 
TRP   C   OXT  sing N N 354 
TRP   CB  CG   sing N N 355 
TRP   CB  HB2  sing N N 356 
TRP   CB  HB3  sing N N 357 
TRP   CG  CD1  doub Y N 358 
TRP   CG  CD2  sing Y N 359 
TRP   CD1 NE1  sing Y N 360 
TRP   CD1 HD1  sing N N 361 
TRP   CD2 CE2  doub Y N 362 
TRP   CD2 CE3  sing Y N 363 
TRP   NE1 CE2  sing Y N 364 
TRP   NE1 HE1  sing N N 365 
TRP   CE2 CZ2  sing Y N 366 
TRP   CE3 CZ3  doub Y N 367 
TRP   CE3 HE3  sing N N 368 
TRP   CZ2 CH2  doub Y N 369 
TRP   CZ2 HZ2  sing N N 370 
TRP   CZ3 CH2  sing Y N 371 
TRP   CZ3 HZ3  sing N N 372 
TRP   CH2 HH2  sing N N 373 
TRP   OXT HXT  sing N N 374 
TYR   N   CA   sing N N 375 
TYR   N   H    sing N N 376 
TYR   N   H2   sing N N 377 
TYR   CA  C    sing N N 378 
TYR   CA  CB   sing N N 379 
TYR   CA  HA   sing N N 380 
TYR   C   O    doub N N 381 
TYR   C   OXT  sing N N 382 
TYR   CB  CG   sing N N 383 
TYR   CB  HB2  sing N N 384 
TYR   CB  HB3  sing N N 385 
TYR   CG  CD1  doub Y N 386 
TYR   CG  CD2  sing Y N 387 
TYR   CD1 CE1  sing Y N 388 
TYR   CD1 HD1  sing N N 389 
TYR   CD2 CE2  doub Y N 390 
TYR   CD2 HD2  sing N N 391 
TYR   CE1 CZ   doub Y N 392 
TYR   CE1 HE1  sing N N 393 
TYR   CE2 CZ   sing Y N 394 
TYR   CE2 HE2  sing N N 395 
TYR   CZ  OH   sing N N 396 
TYR   OH  HH   sing N N 397 
TYR   OXT HXT  sing N N 398 
VAL   N   CA   sing N N 399 
VAL   N   H    sing N N 400 
VAL   N   H2   sing N N 401 
VAL   CA  C    sing N N 402 
VAL   CA  CB   sing N N 403 
VAL   CA  HA   sing N N 404 
VAL   C   O    doub N N 405 
VAL   C   OXT  sing N N 406 
VAL   CB  CG1  sing N N 407 
VAL   CB  CG2  sing N N 408 
VAL   CB  HB   sing N N 409 
VAL   CG1 HG11 sing N N 410 
VAL   CG1 HG12 sing N N 411 
VAL   CG1 HG13 sing N N 412 
VAL   CG2 HG21 sing N N 413 
VAL   CG2 HG22 sing N N 414 
VAL   CG2 HG23 sing N N 415 
VAL   OXT HXT  sing N N 416 
# 
_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                    7HO6 
_atom_sites.fract_transf_matrix[1][1]   0.010492 
_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]   0.010492 
_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]   0.021865 
_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   ? -13.301 -12.749 -9.783  1.00 59.91 ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.817 -13.372 -11.070 1.00 54.74 ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.695 -12.520 -11.678 1.00 52.30 ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.584 -11.313 -11.319 1.00 54.64 ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -13.985 -13.584 -12.060 1.00 46.94 ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.513 -12.340 -12.705 1.00 41.56 ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -13.917 -11.770 -13.821 1.00 42.86 ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.594 -11.573 -12.431 1.00 38.63 ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.592 -10.689 -14.180 1.00 40.16 ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.623 -10.534 -13.339 1.00 33.01 ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -10.931 -13.113 -12.598 1.00 47.50 ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.795  -12.476 -13.319 1.00 48.09 ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -9.970  -12.633 -14.845 1.00 40.91 ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -8.953  -12.848 -15.538 1.00 43.09 ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.477  -13.034 -12.739 1.00 57.89 ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -8.330  -12.763 -11.270 1.00 67.43 ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -8.155  -11.479 -10.758 1.00 69.52 ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -8.361  -13.589 -10.197 1.00 72.67 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -8.076  -11.533 -9.442  1.00 70.98 ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -8.195  -12.818 -9.073  1.00 73.28 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.206 -12.464 -15.361 1.00 34.04 ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.602 -12.667 -16.790 1.00 27.77 ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.590 -11.336 -17.555 1.00 28.98 ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.743 -11.366 -18.799 1.00 24.98 ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.010 -13.299 -16.914 1.00 27.88 ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.131 -14.660 -16.322 1.00 27.40 ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.231 -15.683 -16.606 1.00 26.44 ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.055 -15.196 -15.490 1.00 26.73 ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.593 -16.774 -15.961 1.00 32.62 ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -13.710 -16.501 -15.280 1.00 31.63 ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.397 -10.210 -16.858 1.00 30.10 ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.504 -8.833  -17.414 1.00 31.62 ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.625 -8.643  -18.658 1.00 29.74 ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.093 -7.948  -19.576 1.00 31.24 ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.184 -7.760  -16.350 1.00 37.26 ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -12.021 -7.886  -15.123 1.00 45.34 ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -11.618 -8.646  -14.024 1.00 53.66 ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.242 -7.384  -14.816 1.00 47.95 ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -12.558 -8.601  -13.091 1.00 53.13 ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -13.573 -7.836  -13.555 1.00 48.74 ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.432  -9.262  -18.734 1.00 28.02 ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.474  -9.115  -19.865 1.00 28.47 ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -8.985  -9.743  -21.167 1.00 26.85 ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.362  -9.502  -22.205 1.00 28.13 ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.090  -9.685  -19.507 1.00 34.51 ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.087  -11.114 -19.093 1.00 33.72 ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.473  -12.103 -19.853 1.00 41.41 ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.576  -11.729 -17.994 1.00 36.10 ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.600  -13.266 -19.250 1.00 33.85 ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.277  -13.070 -18.106 1.00 41.78 ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.037 -10.577 -21.141 1.00 22.10 ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.700 -11.120 -22.362 1.00 19.65 ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -11.805 -10.183 -22.836 1.00 17.75 ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.634 -10.631 -23.618 1.00 15.59 ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.252 -12.502 -22.075 1.00 19.08 ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.186 -13.464 -21.646 1.00 19.16 ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.135  -13.797 -22.493 1.00 19.25 ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.052 -14.175 -20.507 1.00 20.79 ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.373  -14.658 -21.853 1.00 19.46 ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -8.890  -14.922 -20.646 1.00 21.61 ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -11.868 -8.969  -22.318 1.00 18.44 ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -12.903 -7.967  -22.667 1.00 19.98 ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -12.992 -7.809  -24.179 1.00 19.42 ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -11.954 -7.653  -24.896 1.00 22.63 ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.563 -6.607  -22.042 1.00 24.28 ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.598 -5.510  -22.266 1.00 30.52 ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.189 -5.738  -21.353 1.00 40.82 ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -14.755 -5.097  -19.741 1.00 34.15 ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.205 -7.807  -24.705 1.00 16.60 ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.504 -7.578  -26.140 1.00 18.27 ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.491 -6.401  -26.209 1.00 17.94 ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.365 -6.269  -25.351 1.00 18.01 ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.033 -8.823  -26.877 1.00 19.85 ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -13.938 -9.867  -27.015 1.00 23.02 ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.226 -9.454  -26.195 1.00 20.35 ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.418 -5.626  -27.289 1.00 18.28 ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.295 -4.459  -27.535 1.00 18.25 ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.517 -4.950  -28.305 1.00 18.74 ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.399 -5.373  -29.436 1.00 22.55 ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.531 -3.388  -28.306 1.00 19.18 ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.295 -2.124  -28.503 1.00 23.85 ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.421 -1.194  -27.510 1.00 27.18 ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -16.995 -1.670  -29.564 1.00 27.08 ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.137 -0.169  -27.963 1.00 24.22 ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.520 -0.458  -29.224 1.00 30.16 ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.640 -5.076  -27.615 1.00 14.74 ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -19.872 -5.584  -28.244 1.00 15.10 ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.683 -4.381  -28.776 1.00 14.66 ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.747 -3.377  -28.102 1.00 14.62 ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.696 -6.398  -27.222 1.00 14.30 ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -19.904 -7.619  -26.727 1.00 15.77 ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.038 -6.791  -27.832 1.00 13.97 ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.318 -8.525  -27.794 1.00 15.11 ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.302 -4.567  -29.928 1.00 13.58 ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.277 -3.584  -30.478 1.00 14.96 ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.531 -4.353  -30.871 1.00 15.04 ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.499 -5.596  -31.137 1.00 16.30 ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.697 -2.802  -31.657 1.00 17.22 ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.342 -3.705  -32.689 1.00 18.69 ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.536 -1.912  -31.264 1.00 18.91 ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.673 -3.653  -30.832 1.00 13.45 ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -25.967 -4.301  -31.119 1.00 14.21 ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.247 -4.297  -32.610 1.00 13.91 ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -25.927 -3.274  -33.295 1.00 15.24 ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.042 -3.551  -30.357 1.00 13.75 ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -26.854 -3.598  -28.854 1.00 13.57 ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.857 -2.710  -28.129 1.00 15.44 ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -26.921 -5.041  -28.342 1.00 15.00 ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -26.855 -5.332  -33.109 1.00 12.55 ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.227 -5.509  -34.532 1.00 13.31 ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.713 -5.116  -34.714 1.00 14.31 ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.590 -5.911  -34.426 1.00 13.13 ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -26.940 -6.936  -35.027 1.00 13.26 ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.228 -7.213  -36.485 1.00 17.90 ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -27.874 -6.334  -37.103 1.00 17.17 ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -26.923 -8.322  -36.979 1.00 18.35 ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -28.920 -3.886  -35.211 0.25 15.30 ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -28.945 -3.897  -35.212 0.25 15.95 ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.247 -3.278  -35.511 0.25 16.53 ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.307 -3.329  -35.409 0.25 17.48 ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.143 -4.311  -36.204 0.25 16.37 ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.171 -4.303  -36.223 0.25 17.20 ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.347 -4.499  -35.766 0.25 18.25 ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.397 -4.452  -35.887 0.25 20.03 ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.080 -2.036  -36.406 0.25 17.17 ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.220 -1.947  -36.077 0.25 19.50 ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.152 -0.980  -35.825 0.25 19.62 ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.750 -0.842  -35.142 0.25 22.16 ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.115 0.316   -36.627 0.25 19.49 ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.342 -0.345  -35.441 0.25 25.92 ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.604 1.381   -35.785 0.25 19.69 ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -28.244 0.559   -36.590 0.25 28.38 ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.328 1.938   -34.835 0.25 18.87 ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.674 0.267   -37.762 0.25 31.27 ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.576 1.544   -34.686 0.25 20.67 ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.124 -0.915  -37.978 0.25 33.68 ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.822 2.878   -34.062 0.25 19.92 ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.654 1.172   -38.724 0.25 32.69 ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.591 -4.977  -37.232 1.00 15.34 ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.392 -5.829  -38.128 1.00 16.77 ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.083 -6.967  -37.398 1.00 14.93 ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.066 -7.500  -37.887 1.00 14.30 ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.529 -6.278  -39.308 1.00 20.33 ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.336 -5.157  -40.307 1.00 26.91 ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.124 -4.216  -40.353 1.00 32.84 ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.254 -5.234  -41.059 1.00 39.08 ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.537 -7.377  -36.233 1.00 13.19 ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.062 -8.492  -35.449 1.00 12.55 ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.109 -8.017  -34.442 1.00 11.56 ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.780 -8.859  -33.834 1.00 11.67 ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -30.971 -9.280  -34.699 1.00 12.55 ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.404 -8.479  -33.671 1.00 12.73 ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -29.930 -9.819  -35.669 1.00 13.33 ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.189 -6.724  -34.229 1.00 11.84 ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.001 -6.164  -33.121 1.00 12.27 ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.487 -6.372  -33.380 1.00 12.70 ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -35.992 -6.098  -34.504 1.00 13.26 ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.712 -4.705  -32.950 1.00 12.75 ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.257 -6.696  -32.370 1.00 12.10 ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.714 -6.497  -32.405 1.00 11.83 ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -37.986 -5.053  -32.856 1.00 10.99 ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.280 -4.118  -32.493 1.00 11.08 ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.257 -6.832  -31.029 1.00 13.06 ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.725 -6.550  -30.941 1.00 13.78 ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.158 -5.438  -30.673 1.00 14.41 ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.499 -7.566  -31.194 1.00 16.62 ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.069 -4.894  -33.606 1.00 11.17 ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.439 -3.616  -34.252 1.00 11.79 ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -39.820 -2.534  -33.258 1.00 12.19 ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -39.905 -1.390  -33.714 1.00 13.16 ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.563 -3.861  -35.242 1.00 12.91 ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.690 -4.326  -34.539 1.00 15.60 ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.003 -2.805  -31.975 1.00 10.74 ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.317 -1.782  -30.963 1.00 11.24 ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.072 -1.257  -30.254 1.00 11.58 ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.171 -0.354  -29.432 1.00 12.12 ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.318 -2.322  -29.976 1.00 12.34 ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.718 -2.422  -30.511 1.00 12.85 ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.119 -2.964  -31.696 1.00 13.62 ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -43.895 -1.980  -29.841 1.00 14.48 ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.490 -2.854  -31.805 1.00 15.68 ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -44.983 -2.300  -30.680 1.00 13.68 ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.132 -1.333  -28.624 1.00 16.19 ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.311 -1.998  -30.315 1.00 17.71 ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.448 -1.050  -28.261 1.00 18.72 ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.502 -1.423  -29.087 1.00 19.60 ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -37.901 -1.862  -30.559 1.00 11.02 ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.690 -1.464  -29.816 1.00 11.80 ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.065 -0.212  -30.453 1.00 12.06 ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.081 -0.037  -31.680 1.00 12.60 ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.663 -2.599  -29.805 1.00 10.78 ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.100 -3.854  -29.075 1.00 11.99 ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -35.005 -4.899  -29.088 1.00 11.81 ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.513 -3.592  -27.674 1.00 12.90 ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.439 0.562   -29.593 1.00 11.07 ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.656 1.772   -29.955 1.00 12.68 ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.215 1.542   -29.524 1.00 13.12 ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -32.928 1.426   -28.302 1.00 13.27 ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.227 3.016   -29.311 1.00 13.42 ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.707 3.274   -29.703 1.00 13.68 ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.348 4.236   -29.662 1.00 15.54 ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.368 4.347   -28.956 1.00 15.72 ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.345 1.452   -30.517 1.00 14.88 ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -30.887 1.250   -30.289 1.00 14.70 ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.184 2.577   -30.446 1.00 16.15 ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.446 3.327   -31.457 1.00 17.01 ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.359 0.185   -31.227 1.00 15.46 ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -30.919 -1.190  -30.888 1.00 18.65 ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -28.825 0.143   -31.213 1.00 16.30 ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -30.663 -2.162  -31.849 1.00 20.87 ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.321 2.951   -29.534 1.00 15.90 ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.615 4.239   -29.589 1.00 15.71 ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.695 4.311   -30.829 1.00 14.13 ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.315 3.313   -31.408 1.00 15.01 ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -27.877 4.425   -28.312 1.00 16.77 ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -26.918 3.363   -28.171 1.00 16.47 ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.327 5.553   -31.187 1.00 18.35 ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.420 5.808   -32.330 1.00 18.54 ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.127 4.989   -32.201 1.00 17.01 ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.656 4.522   -33.227 1.00 19.62 ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.098 7.308   -32.375 1.00 21.03 ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.156 7.678   -33.490 1.00 23.18 ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.328 9.134   -33.823 1.00 23.86 ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -25.133 9.970   -32.586 1.00 29.52 ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.279 11.385  -32.940 1.00 31.72 ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.558 4.908   -30.997 1.00 17.36 ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.272 4.177   -30.779 1.00 16.36 ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.499 2.650   -30.774 1.00 15.72 ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.501 1.921   -30.678 1.00 15.83 ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.534 4.690   -29.547 1.00 17.74 ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.190 4.415   -28.214 1.00 17.57 ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.294 3.775   -28.215 1.00 17.97 ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.587 4.834   -27.207 1.00 21.22 ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -24.726 2.175   -30.909 1.00 14.30 ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.091 0.744   -30.906 1.00 14.12 ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.663 0.088   -29.574 1.00 11.81 ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.495 -1.162  -29.564 1.00 13.05 ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.549 0.045   -32.154 1.00 17.16 ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.140 0.605   -33.447 1.00 22.09 ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.695 -0.040  -34.730 1.00 29.36 ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.277 -0.341  -34.845 1.00 38.22 ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.684 -1.562  -34.740 1.00 51.91 ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.359 -2.693  -34.499 1.00 39.28 ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.366 -1.639  -34.892 1.00 58.61 ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.623 0.821   -28.494 1.00 11.31 ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.233 0.277   -27.172 1.00 12.76 ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.386 0.257   -26.179 1.00 12.80 ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.213 -0.327  -25.085 1.00 13.66 ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.064 1.070   -26.576 1.00 13.74 ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -21.812 1.006   -27.441 1.00 15.73 ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -20.965 -0.204  -27.218 1.00 16.61 ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.205 -0.042  -25.974 1.00 17.65 ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.477 -1.003  -25.373 1.00 17.94 ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.377 -2.172  -25.940 1.00 17.81 ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -18.818 -0.735  -24.271 1.00 19.81 ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.539 0.858   -26.479 1.00 11.90 ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.693 0.900   -25.577 1.00 12.63 ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -28.954 0.499   -26.335 1.00 12.45 ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.083 0.765   -27.558 1.00 13.24 ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -27.896 2.293   -24.985 1.00 14.95 ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.644 2.884   -24.400 1.00 18.36 ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -26.989 4.108   -23.582 1.00 22.50 ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.144 4.341   -23.195 1.00 25.89 ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -25.991 4.929   -23.358 1.00 25.96 ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -29.894 -0.104  -25.631 1.00 11.42 ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.191 -0.499  -26.228 1.00 11.50 ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.268 -0.327  -25.170 1.00 11.81 ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.083 -0.702  -24.025 1.00 10.97 ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.124 -1.894  -26.841 1.00 11.05 ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.704 -2.966  -25.819 1.00 11.17 ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.448 -2.272  -27.488 1.00 11.55 ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.417 0.169   -25.595 1.00 11.56 ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.603 0.259   -24.733 1.00 12.06 ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -35.872 -0.020  -25.556 1.00 11.37 ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -35.880 0.041   -26.788 1.00 10.87 ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.707 1.630   -24.073 1.00 13.08 ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -35.013 2.747   -25.052 1.00 15.46 ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -34.914 4.083   -24.303 1.00 18.41 ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.176 5.196   -25.193 1.00 23.25 ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.374 5.688   -25.442 1.00 20.09 ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.463 5.172   -24.918 1.00 23.21 ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.471 6.721   -26.286 1.00 25.96 ? 38  ARG   B NH2 1 
ATOM   283  N N   . MET   A 1 33  ? -36.942 -0.331  -24.825 0.42 11.68 ? 39  MET   B N   1 
ATOM   284  C CA  . MET   A 1 33  ? -38.311 -0.509  -25.381 0.42 12.17 ? 39  MET   B CA  1 
ATOM   285  C C   . MET   A 1 33  ? -38.858 0.856   -25.836 0.42 11.70 ? 39  MET   B C   1 
ATOM   286  O O   . MET   A 1 33  ? -38.862 1.792   -25.029 0.42 11.66 ? 39  MET   B O   1 
ATOM   287  C CB  . MET   A 1 33  ? -39.213 -1.125  -24.305 0.42 12.67 ? 39  MET   B CB  1 
ATOM   288  C CG  . MET   A 1 33  ? -40.681 -1.226  -24.684 0.42 13.57 ? 39  MET   B CG  1 
ATOM   289  S SD  . MET   A 1 33  ? -40.946 -2.250  -26.149 0.42 15.24 ? 39  MET   B SD  1 
ATOM   290  C CE  . MET   A 1 33  ? -41.198 -3.873  -25.444 0.42 14.76 ? 39  MET   B CE  1 
ATOM   291  N N   . GLY   A 1 34  ? -39.245 0.959   -27.110 0.42 11.81 ? 40  GLY   B N   1 
ATOM   292  C CA  . GLY   A 1 34  ? -39.958 2.132   -27.659 0.42 12.48 ? 40  GLY   B CA  1 
ATOM   293  C C   . GLY   A 1 34  ? -41.443 2.093   -27.320 0.42 12.46 ? 40  GLY   B C   1 
ATOM   294  O O   . GLY   A 1 34  ? -41.932 1.005   -26.950 0.42 12.04 ? 40  GLY   B O   1 
ATOM   295  N N   . ASP   A 1 35  ? -42.142 3.230   -27.461 0.42 13.14 ? 41  ASP   B N   1 
ATOM   296  C CA  . ASP   A 1 35  ? -43.580 3.395   -27.076 0.42 15.63 ? 41  ASP   B CA  1 
ATOM   297  C C   . ASP   A 1 35  ? -44.477 2.582   -28.016 0.42 15.71 ? 41  ASP   B C   1 
ATOM   298  O O   . ASP   A 1 35  ? -45.551 2.015   -27.575 0.42 16.98 ? 41  ASP   B O   1 
ATOM   299  C CB  . ASP   A 1 35  ? -44.029 4.862   -27.139 0.42 16.66 ? 41  ASP   B CB  1 
ATOM   300  C CG  . ASP   A 1 35  ? -43.376 5.756   -26.099 0.42 19.14 ? 41  ASP   B CG  1 
ATOM   301  O OD1 . ASP   A 1 35  ? -42.795 5.220   -25.138 0.42 21.41 ? 41  ASP   B OD1 1 
ATOM   302  O OD2 . ASP   A 1 35  ? -43.455 6.981   -26.262 0.42 21.95 ? 41  ASP   B OD2 1 
ATOM   303  N N   . THR   A 1 36  ? -44.076 2.575   -29.276 0.42 15.35 ? 42  THR   B N   1 
ATOM   304  C CA  . THR   A 1 36  ? -44.808 1.966   -30.408 0.42 15.32 ? 42  THR   B CA  1 
ATOM   305  C C   . THR   A 1 36  ? -43.786 1.246   -31.273 0.42 14.53 ? 42  THR   B C   1 
ATOM   306  O O   . THR   A 1 36  ? -42.555 1.276   -30.931 0.42 15.88 ? 42  THR   B O   1 
ATOM   307  C CB  . THR   A 1 36  ? -45.514 3.026   -31.265 0.42 15.41 ? 42  THR   B CB  1 
ATOM   308  O OG1 . THR   A 1 36  ? -46.296 2.371   -32.263 0.42 17.55 ? 42  THR   B OG1 1 
ATOM   309  C CG2 . THR   A 1 36  ? -44.548 3.965   -31.960 0.42 15.15 ? 42  THR   B CG2 1 
ATOM   310  N N   . HIS   A 1 37  ? -44.262 0.746   -32.408 1.00 14.19 ? 43  HIS   B N   1 
ATOM   311  C CA  . HIS   A 1 37  ? -43.428 0.270   -33.533 1.00 13.53 ? 43  HIS   B CA  1 
ATOM   312  C C   . HIS   A 1 37  ? -42.477 1.374   -33.968 1.00 14.78 ? 43  HIS   B C   1 
ATOM   313  O O   . HIS   A 1 37  ? -42.953 2.543   -34.161 1.00 14.80 ? 43  HIS   B O   1 
ATOM   314  C CB  . HIS   A 1 37  ? -44.370 -0.199  -34.643 1.00 13.29 ? 43  HIS   B CB  1 
ATOM   315  C CG  . HIS   A 1 37  ? -43.760 -0.860  -35.806 1.00 12.41 ? 43  HIS   B CG  1 
ATOM   316  N ND1 . HIS   A 1 37  ? -42.975 -0.199  -36.742 1.00 12.85 ? 43  HIS   B ND1 1 
ATOM   317  C CD2 . HIS   A 1 37  ? -43.893 -2.135  -36.252 1.00 13.12 ? 43  HIS   B CD2 1 
ATOM   318  C CE1 . HIS   A 1 37  ? -42.636 -1.041  -37.686 1.00 13.35 ? 43  HIS   B CE1 1 
ATOM   319  N NE2 . HIS   A 1 37  ? -43.196 -2.280  -37.398 1.00 12.95 ? 43  HIS   B NE2 1 
ATOM   320  N N   . GLN   A 1 38  ? -41.213 1.059   -34.221 1.00 13.08 ? 44  GLN   B N   1 
ATOM   321  C CA  . GLN   A 1 38  ? -40.212 2.091   -34.476 1.00 12.98 ? 44  GLN   B CA  1 
ATOM   322  C C   . GLN   A 1 38  ? -40.025 2.368   -35.975 1.00 14.47 ? 44  GLN   B C   1 
ATOM   323  O O   . GLN   A 1 38  ? -38.995 2.963   -36.360 1.00 15.33 ? 44  GLN   B O   1 
ATOM   324  C CB  . GLN   A 1 38  ? -38.905 1.703   -33.769 1.00 12.64 ? 44  GLN   B CB  1 
ATOM   325  C CG  . GLN   A 1 38  ? -39.041 1.772   -32.284 1.00 12.64 ? 44  GLN   B CG  1 
ATOM   326  C CD  . GLN   A 1 38  ? -39.512 3.099   -31.763 1.00 13.52 ? 44  GLN   B CD  1 
ATOM   327  O OE1 . GLN   A 1 38  ? -40.458 3.236   -30.983 1.00 16.75 ? 44  GLN   B OE1 1 
ATOM   328  N NE2 . GLN   A 1 38  ? -38.876 4.158   -32.218 1.00 12.51 ? 44  GLN   B NE2 1 
ATOM   329  N N   . ASN   A 1 39  ? -40.972 1.957   -36.810 1.00 13.96 ? 45  ASN   B N   1 
ATOM   330  C CA  . ASN   A 1 39  ? -41.044 2.437   -38.221 1.00 13.61 ? 45  ASN   B CA  1 
ATOM   331  C C   . ASN   A 1 39  ? -39.953 1.840   -39.068 1.00 14.28 ? 45  ASN   B C   1 
ATOM   332  O O   . ASN   A 1 39  ? -39.490 2.451   -40.031 1.00 15.92 ? 45  ASN   B O   1 
ATOM   333  C CB  . ASN   A 1 39  ? -41.089 3.977   -38.342 1.00 13.87 ? 45  ASN   B CB  1 
ATOM   334  C CG  . ASN   A 1 39  ? -41.749 4.416   -39.640 1.00 13.48 ? 45  ASN   B CG  1 
ATOM   335  O OD1 . ASN   A 1 39  ? -42.616 3.748   -40.191 1.00 12.72 ? 45  ASN   B OD1 1 
ATOM   336  N ND2 . ASN   A 1 39  ? -41.298 5.563   -40.182 1.00 13.06 ? 45  ASN   B ND2 1 
ATOM   337  N N   . VAL   A 1 40  ? -39.582 0.601   -38.789 1.00 15.60 ? 46  VAL   B N   1 
ATOM   338  C CA  . VAL   A 1 40  ? -38.609 -0.212  -39.564 1.00 16.19 ? 46  VAL   B CA  1 
ATOM   339  C C   . VAL   A 1 40  ? -39.367 -1.254  -40.418 1.00 15.28 ? 46  VAL   B C   1 
ATOM   340  O O   . VAL   A 1 40  ? -40.412 -1.708  -40.012 1.00 15.30 ? 46  VAL   B O   1 
ATOM   341  C CB  . VAL   A 1 40  ? -37.582 -0.890  -38.633 1.00 16.98 ? 46  VAL   B CB  1 
ATOM   342  C CG1 . VAL   A 1 40  ? -36.669 0.143   -37.977 1.00 19.80 ? 46  VAL   B CG1 1 
ATOM   343  C CG2 . VAL   A 1 40  ? -38.225 -1.788  -37.583 1.00 18.37 ? 46  VAL   B CG2 1 
ATOM   344  N N   . SER   A 1 41  ? -38.794 -1.703  -41.519 1.00 16.99 ? 47  SER   B N   1 
ATOM   345  C CA  . SER   A 1 41  ? -39.330 -2.833  -42.285 1.00 17.62 ? 47  SER   B CA  1 
ATOM   346  C C   . SER   A 1 41  ? -39.128 -4.150  -41.544 1.00 16.41 ? 47  SER   B C   1 
ATOM   347  O O   . SER   A 1 41  ? -38.185 -4.272  -40.740 1.00 16.56 ? 47  SER   B O   1 
ATOM   348  C CB  . SER   A 1 41  ? -38.705 -2.884  -43.675 1.00 20.65 ? 47  SER   B CB  1 
ATOM   349  O OG  . SER   A 1 41  ? -37.293 -3.020  -43.578 1.00 22.70 ? 47  SER   B OG  1 
ATOM   350  N N   . ASP   A 1 42  ? -39.963 -5.134  -41.796 1.00 16.74 ? 48  ASP   B N   1 
ATOM   351  C CA  . ASP   A 1 42  ? -39.816 -6.488  -41.227 1.00 16.47 ? 48  ASP   B CA  1 
ATOM   352  C C   . ASP   A 1 42  ? -38.746 -7.241  -42.012 1.00 18.20 ? 48  ASP   B C   1 
ATOM   353  O O   . ASP   A 1 42  ? -38.468 -6.911  -43.182 1.00 18.41 ? 48  ASP   B O   1 
ATOM   354  C CB  . ASP   A 1 42  ? -41.144 -7.224  -41.204 1.00 18.46 ? 48  ASP   B CB  1 
ATOM   355  C CG  . ASP   A 1 42  ? -41.060 -8.477  -40.376 1.00 23.10 ? 48  ASP   B CG  1 
ATOM   356  O OD1 . ASP   A 1 42  ? -40.346 -8.469  -39.291 1.00 18.13 ? 48  ASP   B OD1 1 
ATOM   357  O OD2 . ASP   A 1 42  ? -41.539 -9.504  -40.921 1.00 28.88 ? 48  ASP   B OD2 1 
ATOM   358  N N   . ASN   A 1 43  ? -38.132 -8.246  -41.371 1.00 16.30 ? 49  ASN   B N   1 
ATOM   359  C CA  . ASN   A 1 43  ? -37.134 -9.117  -42.033 1.00 17.74 ? 49  ASN   B CA  1 
ATOM   360  C C   . ASN   A 1 43  ? -37.061 -10.409 -41.234 1.00 17.73 ? 49  ASN   B C   1 
ATOM   361  O O   . ASN   A 1 43  ? -37.665 -10.507 -40.140 1.00 18.00 ? 49  ASN   B O   1 
ATOM   362  C CB  . ASN   A 1 43  ? -35.793 -8.449  -42.210 1.00 16.68 ? 49  ASN   B CB  1 
ATOM   363  C CG  . ASN   A 1 43  ? -35.057 -8.246  -40.896 1.00 17.12 ? 49  ASN   B CG  1 
ATOM   364  O OD1 . ASN   A 1 43  ? -34.890 -9.190  -40.125 1.00 18.39 ? 49  ASN   B OD1 1 
ATOM   365  N ND2 . ASN   A 1 43  ? -34.648 -7.081  -40.581 1.00 16.16 ? 49  ASN   B ND2 1 
ATOM   366  N N   . LYS   A 1 44  ? -36.449 -11.426 -41.811 1.00 18.62 ? 50  LYS   B N   1 
ATOM   367  C CA  . LYS   A 1 44  ? -36.490 -12.780 -41.215 1.00 19.90 ? 50  LYS   B CA  1 
ATOM   368  C C   . LYS   A 1 44  ? -35.589 -12.846 -39.958 1.00 17.06 ? 50  LYS   B C   1 
ATOM   369  O O   . LYS   A 1 44  ? -35.775 -13.810 -39.187 1.00 17.92 ? 50  LYS   B O   1 
ATOM   370  C CB  . LYS   A 1 44  ? -36.002 -13.829 -42.228 1.00 23.46 ? 50  LYS   B CB  1 
ATOM   371  C CG  . LYS   A 1 44  ? -34.560 -13.652 -42.642 1.00 28.67 ? 50  LYS   B CG  1 
ATOM   372  C CD  . LYS   A 1 44  ? -34.051 -14.661 -43.668 1.00 40.94 ? 50  LYS   B CD  1 
ATOM   373  C CE  . LYS   A 1 44  ? -32.562 -14.487 -43.882 1.00 45.05 ? 50  LYS   B CE  1 
ATOM   374  N NZ  . LYS   A 1 44  ? -32.071 -15.281 -45.034 1.00 53.58 ? 50  LYS   B NZ  1 
ATOM   375  N N   . GLU   A 1 45  ? -34.684 -11.903 -39.776 1.00 16.89 ? 51  GLU   B N   1 
ATOM   376  C CA  . GLU   A 1 45  ? -33.780 -11.876 -38.577 1.00 16.37 ? 51  GLU   B CA  1 
ATOM   377  C C   . GLU   A 1 45  ? -34.513 -11.364 -37.319 1.00 16.04 ? 51  GLU   B C   1 
ATOM   378  O O   . GLU   A 1 45  ? -34.097 -11.723 -36.195 1.00 16.77 ? 51  GLU   B O   1 
ATOM   379  C CB  . GLU   A 1 45  ? -32.561 -11.018 -38.835 1.00 18.61 ? 51  GLU   B CB  1 
ATOM   380  C CG  . GLU   A 1 45  ? -31.652 -11.469 -39.989 1.00 22.66 ? 51  GLU   B CG  1 
ATOM   381  C CD  . GLU   A 1 45  ? -30.487 -10.496 -40.134 1.00 28.51 ? 51  GLU   B CD  1 
ATOM   382  O OE1 . GLU   A 1 45  ? -30.481 -9.684  -41.119 1.00 35.97 ? 51  GLU   B OE1 1 
ATOM   383  O OE2 . GLU   A 1 45  ? -29.602 -10.460 -39.258 1.00 32.94 ? 51  GLU   B OE2 1 
ATOM   384  N N   . ARG   A 1 46  ? -35.543 -10.529 -37.417 1.00 14.04 ? 52  ARG   B N   1 
ATOM   385  C CA  . ARG   A 1 46  ? -36.068 -9.822  -36.227 1.00 14.03 ? 52  ARG   B CA  1 
ATOM   386  C C   . ARG   A 1 46  ? -36.792 -10.767 -35.303 1.00 13.43 ? 52  ARG   B C   1 
ATOM   387  O O   . ARG   A 1 46  ? -37.637 -11.587 -35.686 1.00 14.53 ? 52  ARG   B O   1 
ATOM   388  C CB  . ARG   A 1 46  ? -37.067 -8.734  -36.637 1.00 13.01 ? 52  ARG   B CB  1 
ATOM   389  C CG  . ARG   A 1 46  ? -36.480 -7.599  -37.442 1.00 14.37 ? 52  ARG   B CG  1 
ATOM   390  C CD  . ARG   A 1 46  ? -37.429 -6.366  -37.436 1.00 13.39 ? 52  ARG   B CD  1 
ATOM   391  N NE  . ARG   A 1 46  ? -36.912 -5.324  -38.296 1.00 15.07 ? 52  ARG   B NE  1 
ATOM   392  C CZ  . ARG   A 1 46  ? -35.814 -4.620  -38.093 1.00 14.83 ? 52  ARG   B CZ  1 
ATOM   393  N NH1 . ARG   A 1 46  ? -35.205 -4.645  -36.909 1.00 14.10 ? 52  ARG   B NH1 1 
ATOM   394  N NH2 . ARG   A 1 46  ? -35.338 -3.798  -39.031 1.00 17.21 ? 52  ARG   B NH2 1 
ATOM   395  N N   . PHE   A 1 47  ? -36.501 -10.685 -34.002 1.00 11.68 ? 53  PHE   B N   1 
ATOM   396  C CA  . PHE   A 1 47  ? -37.306 -11.402 -33.009 1.00 11.73 ? 53  PHE   B CA  1 
ATOM   397  C C   . PHE   A 1 47  ? -38.727 -10.792 -33.019 1.00 13.61 ? 53  PHE   B C   1 
ATOM   398  O O   . PHE   A 1 47  ? -38.898 -9.592  -32.765 1.00 14.21 ? 53  PHE   B O   1 
ATOM   399  C CB  . PHE   A 1 47  ? -36.718 -11.294 -31.606 1.00 11.18 ? 53  PHE   B CB  1 
ATOM   400  C CG  . PHE   A 1 47  ? -35.482 -12.152 -31.464 1.00 10.58 ? 53  PHE   B CG  1 
ATOM   401  C CD1 . PHE   A 1 47  ? -35.586 -13.515 -31.216 1.00 11.13 ? 53  PHE   B CD1 1 
ATOM   402  C CD2 . PHE   A 1 47  ? -34.203 -11.605 -31.536 1.00 11.44 ? 53  PHE   B CD2 1 
ATOM   403  C CE1 . PHE   A 1 47  ? -34.442 -14.309 -31.088 1.00 11.79 ? 53  PHE   B CE1 1 
ATOM   404  C CE2 . PHE   A 1 47  ? -33.062 -12.407 -31.389 1.00 11.63 ? 53  PHE   B CE2 1 
ATOM   405  C CZ  . PHE   A 1 47  ? -33.203 -13.765 -31.170 1.00 10.64 ? 53  PHE   B CZ  1 
ATOM   406  N N   . SER   A 1 48  ? -39.750 -11.572 -33.290 1.00 14.36 ? 54  SER   B N   1 
ATOM   407  C CA  . SER   A 1 48  ? -41.128 -11.037 -33.497 1.00 15.86 ? 54  SER   B CA  1 
ATOM   408  C C   . SER   A 1 48  ? -41.890 -10.932 -32.191 1.00 15.58 ? 54  SER   B C   1 
ATOM   409  O O   . SER   A 1 48  ? -42.696 -9.965  -32.042 1.00 17.69 ? 54  SER   B O   1 
ATOM   410  C CB  . SER   A 1 48  ? -41.864 -11.915 -34.502 1.00 16.26 ? 54  SER   B CB  1 
ATOM   411  O OG  . SER   A 1 48  ? -42.031 -13.236 -34.054 1.00 16.05 ? 54  SER   B OG  1 
ATOM   412  N N   . ASN   A 1 49  ? -41.764 -11.839 -31.248 1.00 13.71 ? 55  ASN   B N   1 
ATOM   413  C CA  . ASN   A 1 49  ? -42.709 -11.994 -30.118 1.00 15.05 ? 55  ASN   B CA  1 
ATOM   414  C C   . ASN   A 1 49  ? -42.219 -11.335 -28.834 1.00 14.20 ? 55  ASN   B C   1 
ATOM   415  O O   . ASN   A 1 49  ? -42.987 -11.190 -27.884 1.00 15.53 ? 55  ASN   B O   1 
ATOM   416  C CB  . ASN   A 1 49  ? -43.023 -13.454 -29.814 1.00 17.11 ? 55  ASN   B CB  1 
ATOM   417  C CG  . ASN   A 1 49  ? -43.941 -14.116 -30.843 1.00 18.76 ? 55  ASN   B CG  1 
ATOM   418  O OD1 . ASN   A 1 49  ? -43.769 -13.950 -32.045 1.00 21.38 ? 55  ASN   B OD1 1 
ATOM   419  N ND2 . ASN   A 1 49  ? -44.937 -14.817 -30.334 1.00 24.78 ? 55  ASN   B ND2 1 
ATOM   420  N N   . TYR   A 1 50  ? -40.921 -11.024 -28.749 1.00 12.29 ? 56  TYR   B N   1 
ATOM   421  C CA  . TYR   A 1 50  ? -40.308 -10.551 -27.491 1.00 11.74 ? 56  TYR   B CA  1 
ATOM   422  C C   . TYR   A 1 50  ? -39.353 -9.402  -27.798 1.00 10.75 ? 56  TYR   B C   1 
ATOM   423  O O   . TYR   A 1 50  ? -38.815 -9.306  -28.899 1.00 11.90 ? 56  TYR   B O   1 
ATOM   424  C CB  . TYR   A 1 50  ? -39.501 -11.685 -26.839 1.00 12.02 ? 56  TYR   B CB  1 
ATOM   425  C CG  . TYR   A 1 50  ? -40.219 -13.008 -26.741 1.00 13.44 ? 56  TYR   B CG  1 
ATOM   426  C CD1 . TYR   A 1 50  ? -41.209 -13.188 -25.787 1.00 15.40 ? 56  TYR   B CD1 1 
ATOM   427  C CD2 . TYR   A 1 50  ? -39.936 -14.078 -27.572 1.00 14.26 ? 56  TYR   B CD2 1 
ATOM   428  C CE1 . TYR   A 1 50  ? -41.877 -14.404 -25.656 1.00 16.80 ? 56  TYR   B CE1 1 
ATOM   429  C CE2 . TYR   A 1 50  ? -40.634 -15.266 -27.504 1.00 14.70 ? 56  TYR   B CE2 1 
ATOM   430  C CZ  . TYR   A 1 50  ? -41.603 -15.435 -26.530 1.00 15.93 ? 56  TYR   B CZ  1 
ATOM   431  O OH  . TYR   A 1 50  ? -42.232 -16.658 -26.438 1.00 16.94 ? 56  TYR   B OH  1 
ATOM   432  N N   . PRO   A 1 51  ? -39.040 -8.548  -26.805 1.00 10.82 ? 57  PRO   B N   1 
ATOM   433  C CA  . PRO   A 1 51  ? -38.183 -7.382  -27.019 1.00 11.12 ? 57  PRO   B CA  1 
ATOM   434  C C   . PRO   A 1 51  ? -36.662 -7.681  -26.994 1.00 10.06 ? 57  PRO   B C   1 
ATOM   435  O O   . PRO   A 1 51  ? -35.893 -7.165  -26.208 1.00 10.65 ? 57  PRO   B O   1 
ATOM   436  C CB  . PRO   A 1 51  ? -38.579 -6.390  -25.876 1.00 13.17 ? 57  PRO   B CB  1 
ATOM   437  C CG  . PRO   A 1 51  ? -39.765 -7.031  -25.198 1.00 14.05 ? 57  PRO   B CG  1 
ATOM   438  C CD  . PRO   A 1 51  ? -39.691 -8.491  -25.499 1.00 12.23 ? 57  PRO   B CD  1 
ATOM   439  N N   . MET   A 1 52  ? -36.269 -8.555  -27.941 1.00 9.92  ? 58  MET   B N   1 
ATOM   440  C CA  . MET   A 1 52  ? -34.936 -9.185  -28.021 1.00 9.10  ? 58  MET   B CA  1 
ATOM   441  C C   . MET   A 1 52  ? -34.141 -8.600  -29.173 1.00 10.08 ? 58  MET   B C   1 
ATOM   442  O O   . MET   A 1 52  ? -34.647 -8.093  -30.202 1.00 10.43 ? 58  MET   B O   1 
ATOM   443  C CB  . MET   A 1 52  ? -35.081 -10.688 -28.199 1.00 9.96  ? 58  MET   B CB  1 
ATOM   444  C CG  . MET   A 1 52  ? -35.619 -11.377 -26.994 1.00 9.96  ? 58  MET   B CG  1 
ATOM   445  S SD  . MET   A 1 52  ? -36.110 -13.075 -27.416 1.00 11.49 ? 58  MET   B SD  1 
ATOM   446  C CE  . MET   A 1 52  ? -36.716 -13.680 -25.855 1.00 12.04 ? 58  MET   B CE  1 
ATOM   447  N N   . VAL   A 1 53  ? -32.816 -8.647  -29.000 1.00 9.50  ? 59  VAL   B N   1 
ATOM   448  C CA  . VAL   A 1 53  ? -31.827 -8.182  -30.012 1.00 10.10 ? 59  VAL   B CA  1 
ATOM   449  C C   . VAL   A 1 53  ? -30.533 -8.971  -29.813 1.00 10.55 ? 59  VAL   B C   1 
ATOM   450  O O   . VAL   A 1 53  ? -30.224 -9.372  -28.653 1.00 10.69 ? 59  VAL   B O   1 
ATOM   451  C CB  . VAL   A 1 53  ? -31.619 -6.647  -29.966 1.00 10.65 ? 59  VAL   B CB  1 
ATOM   452  C CG1 . VAL   A 1 53  ? -31.087 -6.157  -28.628 1.00 10.85 ? 59  VAL   B CG1 1 
ATOM   453  C CG2 . VAL   A 1 53  ? -30.753 -6.127  -31.118 1.00 10.55 ? 59  VAL   B CG2 1 
ATOM   454  N N   . LEU   A 1 54  ? -29.768 -9.151  -30.871 1.00 10.32 ? 60  LEU   B N   1 
ATOM   455  C CA  . LEU   A 1 54  ? -28.438 -9.789  -30.796 1.00 10.00 ? 60  LEU   B CA  1 
ATOM   456  C C   . LEU   A 1 54  ? -27.311 -8.789  -30.904 1.00 10.90 ? 60  LEU   B C   1 
ATOM   457  O O   . LEU   A 1 54  ? -27.428 -7.719  -31.607 1.00 11.53 ? 60  LEU   B O   1 
ATOM   458  C CB  . LEU   A 1 54  ? -28.266 -10.819 -31.903 1.00 10.87 ? 60  LEU   B CB  1 
ATOM   459  C CG  . LEU   A 1 54  ? -29.335 -11.893 -31.933 1.00 11.19 ? 60  LEU   B CG  1 
ATOM   460  C CD1 . LEU   A 1 54  ? -29.079 -12.988 -32.965 1.00 13.41 ? 60  LEU   B CD1 1 
ATOM   461  C CD2 . LEU   A 1 54  ? -29.514 -12.554 -30.575 1.00 11.62 ? 60  LEU   B CD2 1 
ATOM   462  N N   . GLY   A 1 55  ? -26.158 -9.115  -30.327 1.00 10.71 ? 61  GLY   B N   1 
ATOM   463  C CA  . GLY   A 1 55  ? -24.896 -8.437  -30.712 1.00 11.04 ? 61  GLY   B CA  1 
ATOM   464  C C   . GLY   A 1 55  ? -24.486 -8.761  -32.148 1.00 10.80 ? 61  GLY   B C   1 
ATOM   465  O O   . GLY   A 1 55  ? -24.809 -9.819  -32.644 1.00 11.97 ? 61  GLY   B O   1 
ATOM   466  N N   . ALA   A 1 56  ? -23.733 -7.869  -32.757 1.00 12.78 ? 62  ALA   B N   1 
ATOM   467  C CA  . ALA   A 1 56  ? -23.233 -8.054  -34.140 1.00 14.33 ? 62  ALA   B CA  1 
ATOM   468  C C   . ALA   A 1 56  ? -22.108 -9.096  -34.183 1.00 14.79 ? 62  ALA   B C   1 
ATOM   469  O O   . ALA   A 1 56  ? -21.964 -9.796  -35.205 1.00 17.85 ? 62  ALA   B O   1 
ATOM   470  C CB  . ALA   A 1 56  ? -22.784 -6.723  -34.639 1.00 16.26 ? 62  ALA   B CB  1 
ATOM   471  N N   . GLN   A 1 57  ? -21.375 -9.214  -33.092 1.00 13.80 ? 63  GLN   B N   1 
ATOM   472  C CA  . GLN   A 1 57  ? -20.163 -10.075 -33.067 1.00 14.66 ? 63  GLN   B CA  1 
ATOM   473  C C   . GLN   A 1 57  ? -20.590 -11.546 -33.049 1.00 15.61 ? 63  GLN   B C   1 
ATOM   474  O O   . GLN   A 1 57  ? -21.608 -11.933 -32.415 1.00 16.02 ? 63  GLN   B O   1 
ATOM   475  C CB  . GLN   A 1 57  ? -19.306 -9.713  -31.845 1.00 16.64 ? 63  GLN   B CB  1 
ATOM   476  C CG  . GLN   A 1 57  ? -18.629 -8.357  -31.918 1.00 17.71 ? 63  GLN   B CG  1 
ATOM   477  C CD  . GLN   A 1 57  ? -19.598 -7.195  -31.795 1.00 18.15 ? 63  GLN   B CD  1 
ATOM   478  O OE1 . GLN   A 1 57  ? -20.543 -7.271  -31.019 1.00 16.54 ? 63  GLN   B OE1 1 
ATOM   479  N NE2 . GLN   A 1 57  ? -19.356 -6.093  -32.480 1.00 21.01 ? 63  GLN   B NE2 1 
ATOM   480  N N   . ARG   A 1 58  ? -19.866 -12.397 -33.765 1.00 15.67 ? 64  ARG   B N   1 
ATOM   481  C CA  . ARG   A 1 58  ? -19.992 -13.863 -33.766 1.00 15.54 ? 64  ARG   B CA  1 
ATOM   482  C C   . ARG   A 1 58  ? -18.722 -14.489 -33.216 1.00 14.37 ? 64  ARG   B C   1 
ATOM   483  O O   . ARG   A 1 58  ? -17.619 -14.034 -33.558 1.00 17.02 ? 64  ARG   B O   1 
ATOM   484  C CB  . ARG   A 1 58  ? -20.138 -14.426 -35.197 1.00 19.62 ? 64  ARG   B CB  1 
ATOM   485  C CG  . ARG   A 1 58  ? -21.518 -14.300 -35.846 1.00 29.09 ? 64  ARG   B CG  1 
ATOM   486  C CD  . ARG   A 1 58  ? -22.051 -12.885 -35.728 1.00 29.28 ? 64  ARG   B CD  1 
ATOM   487  N NE  . ARG   A 1 58  ? -22.907 -12.155 -36.678 1.00 35.88 ? 64  ARG   B NE  1 
ATOM   488  C CZ  . ARG   A 1 58  ? -23.597 -12.645 -37.705 1.00 34.06 ? 64  ARG   B CZ  1 
ATOM   489  N NH1 . ARG   A 1 58  ? -24.326 -11.821 -38.444 1.00 39.19 ? 64  ARG   B NH1 1 
ATOM   490  N NH2 . ARG   A 1 58  ? -23.568 -13.925 -38.001 1.00 33.60 ? 64  ARG   B NH2 1 
ATOM   491  N N   . PHE   A 1 59  ? -18.880 -15.423 -32.315 1.00 13.30 ? 65  PHE   B N   1 
ATOM   492  C CA  . PHE   A 1 59  ? -17.721 -16.087 -31.666 1.00 13.68 ? 65  PHE   B CA  1 
ATOM   493  C C   . PHE   A 1 59  ? -17.780 -17.580 -31.932 1.00 12.50 ? 65  PHE   B C   1 
ATOM   494  O O   . PHE   A 1 59  ? -18.801 -18.234 -31.700 1.00 12.41 ? 65  PHE   B O   1 
ATOM   495  C CB  . PHE   A 1 59  ? -17.793 -15.840 -30.140 1.00 14.74 ? 65  PHE   B CB  1 
ATOM   496  C CG  . PHE   A 1 59  ? -17.800 -14.367 -29.756 1.00 16.57 ? 65  PHE   B CG  1 
ATOM   497  C CD1 . PHE   A 1 59  ? -16.786 -13.554 -30.232 1.00 19.15 ? 65  PHE   B CD1 1 
ATOM   498  C CD2 . PHE   A 1 59  ? -18.785 -13.795 -28.991 1.00 23.46 ? 65  PHE   B CD2 1 
ATOM   499  C CE1 . PHE   A 1 59  ? -16.721 -12.196 -29.946 1.00 22.45 ? 65  PHE   B CE1 1 
ATOM   500  C CE2 . PHE   A 1 59  ? -18.699 -12.433 -28.661 1.00 18.69 ? 65  PHE   B CE2 1 
ATOM   501  C CZ  . PHE   A 1 59  ? -17.719 -11.648 -29.198 1.00 20.28 ? 65  PHE   B CZ  1 
ATOM   502  N N   A SER   A 1 60  ? -16.667 -18.159 -32.405 0.25 13.18 ? 66  SER   B N   1 
ATOM   503  N N   B SER   A 1 60  ? -16.672 -18.158 -32.420 0.25 12.95 ? 66  SER   B N   1 
ATOM   504  C CA  A SER   A 1 60  ? -16.571 -19.610 -32.718 0.25 13.99 ? 66  SER   B CA  1 
ATOM   505  C CA  B SER   A 1 60  ? -16.537 -19.614 -32.695 0.25 13.59 ? 66  SER   B CA  1 
ATOM   506  C C   A SER   A 1 60  ? -15.357 -20.261 -32.031 0.25 13.53 ? 66  SER   B C   1 
ATOM   507  C C   B SER   A 1 60  ? -15.272 -20.181 -32.058 0.25 13.44 ? 66  SER   B C   1 
ATOM   508  O O   A SER   A 1 60  ? -15.230 -21.504 -32.130 0.25 13.62 ? 66  SER   B O   1 
ATOM   509  O O   B SER   A 1 60  ? -14.851 -21.271 -32.456 0.25 12.14 ? 66  SER   B O   1 
ATOM   510  C CB  A SER   A 1 60  ? -16.612 -19.834 -34.229 0.25 14.16 ? 66  SER   B CB  1 
ATOM   511  C CB  B SER   A 1 60  ? -16.495 -19.880 -34.168 0.25 13.42 ? 66  SER   B CB  1 
ATOM   512  O OG  A SER   A 1 60  ? -17.964 -19.695 -34.719 0.25 15.46 ? 66  SER   B OG  1 
ATOM   513  O OG  B SER   A 1 60  ? -15.451 -19.132 -34.730 0.25 14.43 ? 66  SER   B OG  1 
ATOM   514  N N   A SER   A 1 61  ? -14.559 -19.477 -31.291 0.25 12.97 ? 67  SER   B N   1 
ATOM   515  N N   B SER   A 1 61  ? -14.650 -19.444 -31.147 0.25 13.98 ? 67  SER   B N   1 
ATOM   516  C CA  A SER   A 1 61  ? -13.365 -19.932 -30.534 0.25 13.65 ? 67  SER   B CA  1 
ATOM   517  C CA  B SER   A 1 61  ? -13.384 -19.868 -30.522 0.25 15.50 ? 67  SER   B CA  1 
ATOM   518  C C   A SER   A 1 61  ? -13.075 -18.947 -29.398 0.25 13.97 ? 67  SER   B C   1 
ATOM   519  C C   B SER   A 1 61  ? -12.976 -18.862 -29.455 0.25 14.95 ? 67  SER   B C   1 
ATOM   520  O O   A SER   A 1 61  ? -13.719 -17.893 -29.367 0.25 13.57 ? 67  SER   B O   1 
ATOM   521  O O   B SER   A 1 61  ? -13.383 -17.680 -29.570 0.25 14.34 ? 67  SER   B O   1 
ATOM   522  C CB  A SER   A 1 61  ? -12.161 -20.043 -31.462 0.25 13.54 ? 67  SER   B CB  1 
ATOM   523  C CB  B SER   A 1 61  ? -12.321 -19.981 -31.585 0.25 16.79 ? 67  SER   B CB  1 
ATOM   524  O OG  A SER   A 1 61  ? -11.726 -18.768 -31.894 0.25 13.62 ? 67  SER   B OG  1 
ATOM   525  O OG  B SER   A 1 61  ? -11.119 -20.432 -31.005 0.25 20.49 ? 67  SER   B OG  1 
ATOM   526  N N   . GLY   A 1 62  ? -12.151 -19.300 -28.504 1.00 15.75 ? 68  GLY   B N   1 
ATOM   527  C CA  . GLY   A 1 62  ? -11.539 -18.338 -27.576 1.00 16.12 ? 68  GLY   B CA  1 
ATOM   528  C C   . GLY   A 1 62  ? -12.379 -18.056 -26.343 1.00 12.62 ? 68  GLY   B C   1 
ATOM   529  O O   . GLY   A 1 62  ? -13.394 -18.716 -26.088 1.00 14.45 ? 68  GLY   B O   1 
ATOM   530  N N   . LYS   A 1 63  ? -11.866 -17.078 -25.638 1.00 13.37 ? 69  LYS   B N   1 
ATOM   531  C CA  . LYS   A 1 63  ? -12.447 -16.596 -24.388 1.00 13.53 ? 69  LYS   B CA  1 
ATOM   532  C C   . LYS   A 1 63  ? -12.885 -15.157 -24.636 1.00 13.80 ? 69  LYS   B C   1 
ATOM   533  O O   . LYS   A 1 63  ? -12.091 -14.334 -25.127 1.00 15.12 ? 69  LYS   B O   1 
ATOM   534  C CB  . LYS   A 1 63  ? -11.426 -16.718 -23.266 1.00 15.42 ? 69  LYS   B CB  1 
ATOM   535  C CG  . LYS   A 1 63  ? -11.028 -18.150 -22.922 1.00 15.87 ? 69  LYS   B CG  1 
ATOM   536  C CD  . LYS   A 1 63  ? -9.895  -18.220 -21.860 1.00 18.40 ? 69  LYS   B CD  1 
ATOM   537  C CE  . LYS   A 1 63  ? -9.578  -19.623 -21.386 1.00 20.72 ? 69  LYS   B CE  1 
ATOM   538  N NZ  . LYS   A 1 63  ? -8.507  -19.613 -20.349 1.00 22.77 ? 69  LYS   B NZ  1 
ATOM   539  N N   . MET   A 1 64  ? -14.082 -14.811 -24.186 1.00 12.59 ? 70  MET   B N   1 
ATOM   540  C CA  . MET   A 1 64  ? -14.703 -13.484 -24.396 1.00 12.63 ? 70  MET   B CA  1 
ATOM   541  C C   . MET   A 1 64  ? -15.369 -13.031 -23.106 1.00 12.12 ? 70  MET   B C   1 
ATOM   542  O O   . MET   A 1 64  ? -15.947 -13.859 -22.400 1.00 13.03 ? 70  MET   B O   1 
ATOM   543  C CB  . MET   A 1 64  ? -15.814 -13.574 -25.430 1.00 12.71 ? 70  MET   B CB  1 
ATOM   544  C CG  . MET   A 1 64  ? -15.381 -13.735 -26.870 1.00 13.56 ? 70  MET   B CG  1 
ATOM   545  S SD  . MET   A 1 64  ? -14.633 -15.303 -27.394 1.00 15.68 ? 70  MET   B SD  1 
ATOM   546  C CE  . MET   A 1 64  ? -15.852 -16.511 -26.960 1.00 14.72 ? 70  MET   B CE  1 
ATOM   547  N N   . TYR   A 1 65  ? -15.332 -11.750 -22.815 1.00 12.74 ? 71  TYR   B N   1 
ATOM   548  C CA  . TYR   A 1 65  ? -15.937 -11.175 -21.587 1.00 12.32 ? 71  TYR   B CA  1 
ATOM   549  C C   . TYR   A 1 65  ? -16.564 -9.852  -21.963 1.00 13.43 ? 71  TYR   B C   1 
ATOM   550  O O   . TYR   A 1 65  ? -15.918 -9.024  -22.665 1.00 13.26 ? 71  TYR   B O   1 
ATOM   551  C CB  . TYR   A 1 65  ? -14.885 -10.987 -20.487 1.00 13.34 ? 71  TYR   B CB  1 
ATOM   552  C CG  . TYR   A 1 65  ? -15.396 -10.375 -19.212 1.00 13.25 ? 71  TYR   B CG  1 
ATOM   553  C CD1 . TYR   A 1 65  ? -16.144 -11.132 -18.331 1.00 12.85 ? 71  TYR   B CD1 1 
ATOM   554  C CD2 . TYR   A 1 65  ? -15.224 -9.014  -18.946 1.00 13.65 ? 71  TYR   B CD2 1 
ATOM   555  C CE1 . TYR   A 1 65  ? -16.650 -10.580 -17.156 1.00 14.09 ? 71  TYR   B CE1 1 
ATOM   556  C CE2 . TYR   A 1 65  ? -15.755 -8.449  -17.793 1.00 12.94 ? 71  TYR   B CE2 1 
ATOM   557  C CZ  . TYR   A 1 65  ? -16.446 -9.227  -16.899 1.00 13.38 ? 71  TYR   B CZ  1 
ATOM   558  O OH  . TYR   A 1 65  ? -16.974 -8.666  -15.770 1.00 14.88 ? 71  TYR   B OH  1 
ATOM   559  N N   . TRP   A 1 66  ? -17.757 -9.568  -21.463 1.00 11.26 ? 72  TRP   B N   1 
ATOM   560  C CA  . TRP   A 1 66  ? -18.339 -8.204  -21.574 1.00 11.41 ? 72  TRP   B CA  1 
ATOM   561  C C   . TRP   A 1 66  ? -19.223 -7.942  -20.345 1.00 11.73 ? 72  TRP   B C   1 
ATOM   562  O O   . TRP   A 1 66  ? -19.602 -8.879  -19.606 1.00 12.60 ? 72  TRP   B O   1 
ATOM   563  C CB  . TRP   A 1 66  ? -19.088 -7.999  -22.926 1.00 11.31 ? 72  TRP   B CB  1 
ATOM   564  C CG  . TRP   A 1 66  ? -20.253 -8.889  -23.179 1.00 10.86 ? 72  TRP   B CG  1 
ATOM   565  C CD1 . TRP   A 1 66  ? -21.576 -8.597  -22.977 1.00 10.79 ? 72  TRP   B CD1 1 
ATOM   566  C CD2 . TRP   A 1 66  ? -20.254 -10.194 -23.744 1.00 11.73 ? 72  TRP   B CD2 1 
ATOM   567  N NE1 . TRP   A 1 66  ? -22.380 -9.643  -23.374 1.00 11.03 ? 72  TRP   B NE1 1 
ATOM   568  C CE2 . TRP   A 1 66  ? -21.583 -10.656 -23.836 1.00 11.97 ? 72  TRP   B CE2 1 
ATOM   569  C CE3 . TRP   A 1 66  ? -19.224 -11.051 -24.158 1.00 13.22 ? 72  TRP   B CE3 1 
ATOM   570  C CZ2 . TRP   A 1 66  ? -21.925 -11.892 -24.340 1.00 12.14 ? 72  TRP   B CZ2 1 
ATOM   571  C CZ3 . TRP   A 1 66  ? -19.559 -12.279 -24.675 1.00 15.34 ? 72  TRP   B CZ3 1 
ATOM   572  C CH2 . TRP   A 1 66  ? -20.884 -12.706 -24.748 1.00 13.93 ? 72  TRP   B CH2 1 
ATOM   573  N N   . GLU   A 1 67  ? -19.643 -6.681  -20.186 1.00 11.52 ? 73  GLU   B N   1 
ATOM   574  C CA  . GLU   A 1 67  ? -20.496 -6.243  -19.053 1.00 10.97 ? 73  GLU   B CA  1 
ATOM   575  C C   . GLU   A 1 67  ? -21.700 -5.441  -19.528 1.00 10.85 ? 73  GLU   B C   1 
ATOM   576  O O   . GLU   A 1 67  ? -21.615 -4.742  -20.519 1.00 11.82 ? 73  GLU   B O   1 
ATOM   577  C CB  . GLU   A 1 67  ? -19.699 -5.404  -18.057 1.00 12.70 ? 73  GLU   B CB  1 
ATOM   578  C CG  . GLU   A 1 67  ? -18.607 -6.223  -17.371 1.00 15.33 ? 73  GLU   B CG  1 
ATOM   579  C CD  . GLU   A 1 67  ? -17.749 -5.467  -16.375 1.00 18.52 ? 73  GLU   B CD  1 
ATOM   580  O OE1 . GLU   A 1 67  ? -17.910 -4.198  -16.282 1.00 22.63 ? 73  GLU   B OE1 1 
ATOM   581  O OE2 . GLU   A 1 67  ? -16.936 -6.139  -15.648 1.00 16.88 ? 73  GLU   B OE2 1 
ATOM   582  N N   . VAL   A 1 68  ? -22.807 -5.655  -18.838 1.00 11.46 ? 74  VAL   B N   1 
ATOM   583  C CA  . VAL   A 1 68  ? -24.088 -5.027  -19.186 1.00 11.23 ? 74  VAL   B CA  1 
ATOM   584  C C   . VAL   A 1 68  ? -24.634 -4.344  -17.946 1.00 10.79 ? 74  VAL   B C   1 
ATOM   585  O O   . VAL   A 1 68  ? -24.753 -4.965  -16.882 1.00 12.28 ? 74  VAL   B O   1 
ATOM   586  C CB  . VAL   A 1 68  ? -25.101 -6.025  -19.747 1.00 10.96 ? 74  VAL   B CB  1 
ATOM   587  C CG1 . VAL   A 1 68  ? -26.348 -5.297  -20.194 1.00 12.07 ? 74  VAL   B CG1 1 
ATOM   588  C CG2 . VAL   A 1 68  ? -24.484 -6.896  -20.823 1.00 11.45 ? 74  VAL   B CG2 1 
ATOM   589  N N   . ASP   A 1 69  ? -25.102 -3.102  -18.115 1.00 10.95 ? 75  ASP   B N   1 
ATOM   590  C CA  . ASP   A 1 69  ? -25.759 -2.302  -17.055 1.00 11.96 ? 75  ASP   B CA  1 
ATOM   591  C C   . ASP   A 1 69  ? -27.248 -2.573  -17.101 1.00 10.47 ? 75  ASP   B C   1 
ATOM   592  O O   . ASP   A 1 69  ? -27.876 -2.455  -18.224 1.00 11.47 ? 75  ASP   B O   1 
ATOM   593  C CB  . ASP   A 1 69  ? -25.485 -0.804  -17.221 1.00 13.81 ? 75  ASP   B CB  1 
ATOM   594  C CG  . ASP   A 1 69  ? -25.868 0.018   -15.991 1.00 16.23 ? 75  ASP   B CG  1 
ATOM   595  O OD1 . ASP   A 1 69  ? -27.000 -0.006  -15.623 1.00 15.12 ? 75  ASP   B OD1 1 
ATOM   596  O OD2 . ASP   A 1 69  ? -24.959 0.458   -15.276 1.00 20.97 ? 75  ASP   B OD2 1 
ATOM   597  N N   . VAL   A 1 70  ? -27.826 -2.972  -15.972 1.00 10.71 ? 76  VAL   B N   1 
ATOM   598  C CA  . VAL   A 1 70  ? -29.275 -3.313  -15.803 1.00 11.41 ? 76  VAL   B CA  1 
ATOM   599  C C   . VAL   A 1 70  ? -29.963 -2.416  -14.753 1.00 12.27 ? 76  VAL   B C   1 
ATOM   600  O O   . VAL   A 1 70  ? -31.025 -2.751  -14.254 1.00 12.63 ? 76  VAL   B O   1 
ATOM   601  C CB  . VAL   A 1 70  ? -29.429 -4.827  -15.458 1.00 11.28 ? 76  VAL   B CB  1 
ATOM   602  C CG1 . VAL   A 1 70  ? -28.857 -5.750  -16.568 1.00 11.17 ? 76  VAL   B CG1 1 
ATOM   603  C CG2 . VAL   A 1 70  ? -28.790 -5.207  -14.132 1.00 12.35 ? 76  VAL   B CG2 1 
ATOM   604  N N   . THR   A 1 71  ? -29.323 -1.312  -14.393 1.00 12.79 ? 77  THR   B N   1 
ATOM   605  C CA  . THR   A 1 71  ? -29.832 -0.369  -13.365 1.00 14.48 ? 77  THR   B CA  1 
ATOM   606  C C   . THR   A 1 71  ? -31.316 -0.062  -13.598 1.00 14.10 ? 77  THR   B C   1 
ATOM   607  O O   . THR   A 1 71  ? -31.728 0.294   -14.710 1.00 13.91 ? 77  THR   B O   1 
ATOM   608  C CB  . THR   A 1 71  ? -29.007 0.919   -13.383 1.00 14.73 ? 77  THR   B CB  1 
ATOM   609  O OG1 . THR   A 1 71  ? -27.621 0.662   -13.101 1.00 17.81 ? 77  THR   B OG1 1 
ATOM   610  C CG2 . THR   A 1 71  ? -29.587 1.902   -12.377 1.00 18.45 ? 77  THR   B CG2 1 
ATOM   611  N N   . GLN   A 1 72  ? -32.040 -0.185  -12.501 1.00 17.15 ? 78  GLN   B N   1 
ATOM   612  C CA  . GLN   A 1 72  ? -33.471 0.138   -12.282 1.00 19.45 ? 78  GLN   B CA  1 
ATOM   613  C C   . GLN   A 1 72  ? -34.413 -0.673  -13.164 1.00 19.65 ? 78  GLN   B C   1 
ATOM   614  O O   . GLN   A 1 72  ? -35.629 -0.434  -13.096 1.00 24.40 ? 78  GLN   B O   1 
ATOM   615  C CB  . GLN   A 1 72  ? -33.724 1.642   -12.332 1.00 27.68 ? 78  GLN   B CB  1 
ATOM   616  C CG  . GLN   A 1 72  ? -33.452 2.307   -13.667 1.00 32.56 ? 78  GLN   B CG  1 
ATOM   617  C CD  . GLN   A 1 72  ? -34.508 3.334   -14.014 1.00 36.88 ? 78  GLN   B CD  1 
ATOM   618  O OE1 . GLN   A 1 72  ? -34.219 4.359   -14.630 1.00 40.39 ? 78  GLN   B OE1 1 
ATOM   619  N NE2 . GLN   A 1 72  ? -35.759 3.000   -13.712 1.00 42.43 ? 78  GLN   B NE2 1 
ATOM   620  N N   . LYS   A 1 73  ? -33.979 -1.727  -13.837 1.00 13.54 ? 79  LYS   B N   1 
ATOM   621  C CA  . LYS   A 1 73  ? -34.936 -2.597  -14.526 1.00 11.59 ? 79  LYS   B CA  1 
ATOM   622  C C   . LYS   A 1 73  ? -35.628 -3.610  -13.631 1.00 11.20 ? 79  LYS   B C   1 
ATOM   623  O O   . LYS   A 1 73  ? -34.980 -4.160  -12.689 1.00 13.35 ? 79  LYS   B O   1 
ATOM   624  C CB  . LYS   A 1 73  ? -34.200 -3.292  -15.673 1.00 11.87 ? 79  LYS   B CB  1 
ATOM   625  C CG  . LYS   A 1 73  ? -33.773 -2.294  -16.779 1.00 12.42 ? 79  LYS   B CG  1 
ATOM   626  C CD  . LYS   A 1 73  ? -33.268 -2.909  -18.066 1.00 12.65 ? 79  LYS   B CD  1 
ATOM   627  C CE  . LYS   A 1 73  ? -34.326 -3.683  -18.814 1.00 12.39 ? 79  LYS   B CE  1 
ATOM   628  N NZ  . LYS   A 1 73  ? -35.525 -2.845  -19.152 1.00 10.85 ? 79  LYS   B NZ  1 
ATOM   629  N N   . GLU   A 1 74  ? -36.856 -3.924  -13.959 1.00 10.17 ? 80  GLU   B N   1 
ATOM   630  C CA  . GLU   A 1 74  ? -37.657 -4.949  -13.275 1.00 10.65 ? 80  GLU   B CA  1 
ATOM   631  C C   . GLU   A 1 74  ? -37.569 -6.311  -13.954 1.00 10.67 ? 80  GLU   B C   1 
ATOM   632  O O   . GLU   A 1 74  ? -37.953 -7.310  -13.380 1.00 11.38 ? 80  GLU   B O   1 
ATOM   633  C CB  . GLU   A 1 74  ? -39.140 -4.538  -13.253 1.00 11.46 ? 80  GLU   B CB  1 
ATOM   634  C CG  . GLU   A 1 74  ? -39.435 -3.275  -12.457 1.00 12.58 ? 80  GLU   B CG  1 
ATOM   635  C CD  . GLU   A 1 74  ? -40.896 -2.847  -12.547 1.00 12.53 ? 80  GLU   B CD  1 
ATOM   636  O OE1 . GLU   A 1 74  ? -41.284 -2.003  -11.731 1.00 16.39 ? 80  GLU   B OE1 1 
ATOM   637  O OE2 . GLU   A 1 74  ? -41.626 -3.392  -13.409 1.00 13.98 ? 80  GLU   B OE2 1 
ATOM   638  N N   . ALA   A 1 75  ? -37.237 -6.355  -15.242 1.00 10.39 ? 81  ALA   B N   1 
ATOM   639  C CA  . ALA   A 1 75  ? -37.247 -7.604  -16.018 1.00 10.53 ? 81  ALA   B CA  1 
ATOM   640  C C   . ALA   A 1 75  ? -36.268 -7.478  -17.175 1.00 11.52 ? 81  ALA   B C   1 
ATOM   641  O O   . ALA   A 1 75  ? -36.212 -6.425  -17.843 1.00 10.61 ? 81  ALA   B O   1 
ATOM   642  C CB  . ALA   A 1 75  ? -38.626 -7.917  -16.536 1.00 11.64 ? 81  ALA   B CB  1 
ATOM   643  N N   . TRP   A 1 76  ? -35.539 -8.563  -17.465 1.00 9.91  ? 82  TRP   B N   1 
ATOM   644  C CA  . TRP   A 1 76  ? -34.556 -8.640  -18.586 1.00 9.54  ? 82  TRP   B CA  1 
ATOM   645  C C   . TRP   A 1 76  ? -34.040 -10.055 -18.663 1.00 10.40 ? 82  TRP   B C   1 
ATOM   646  O O   . TRP   A 1 76  ? -34.146 -10.820 -17.686 1.00 10.58 ? 82  TRP   B O   1 
ATOM   647  C CB  . TRP   A 1 76  ? -33.389 -7.660  -18.363 1.00 10.18 ? 82  TRP   B CB  1 
ATOM   648  C CG  . TRP   A 1 76  ? -32.709 -7.680  -17.038 1.00 10.20 ? 82  TRP   B CG  1 
ATOM   649  C CD1 . TRP   A 1 76  ? -32.900 -6.823  -16.011 1.00 11.53 ? 82  TRP   B CD1 1 
ATOM   650  C CD2 . TRP   A 1 76  ? -31.761 -8.636  -16.498 1.00 10.26 ? 82  TRP   B CD2 1 
ATOM   651  N NE1 . TRP   A 1 76  ? -32.156 -7.119  -14.921 1.00 11.03 ? 82  TRP   B NE1 1 
ATOM   652  C CE2 . TRP   A 1 76  ? -31.424 -8.257  -15.191 1.00 11.45 ? 82  TRP   B CE2 1 
ATOM   653  C CE3 . TRP   A 1 76  ? -31.115 -9.787  -17.031 1.00 10.85 ? 82  TRP   B CE3 1 
ATOM   654  C CZ2 . TRP   A 1 76  ? -30.502 -8.933  -14.395 1.00 10.93 ? 82  TRP   B CZ2 1 
ATOM   655  C CZ3 . TRP   A 1 76  ? -30.234 -10.495 -16.228 1.00 10.98 ? 82  TRP   B CZ3 1 
ATOM   656  C CH2 . TRP   A 1 76  ? -29.922 -10.057 -14.934 1.00 11.91 ? 82  TRP   B CH2 1 
ATOM   657  N N   . ASP   A 1 77  ? -33.532 -10.409 -19.830 1.00 9.76  ? 83  ASP   B N   1 
ATOM   658  C CA  . ASP   A 1 77  ? -32.758 -11.665 -20.038 1.00 9.96  ? 83  ASP   B CA  1 
ATOM   659  C C   . ASP   A 1 77  ? -31.390 -11.263 -20.592 1.00 9.73  ? 83  ASP   B C   1 
ATOM   660  O O   . ASP   A 1 77  ? -31.346 -10.375 -21.477 1.00 9.66  ? 83  ASP   B O   1 
ATOM   661  C CB  . ASP   A 1 77  ? -33.435 -12.621 -21.006 1.00 11.24 ? 83  ASP   B CB  1 
ATOM   662  C CG  . ASP   A 1 77  ? -34.920 -12.847 -20.866 1.00 12.85 ? 83  ASP   B CG  1 
ATOM   663  O OD1 . ASP   A 1 77  ? -35.366 -12.835 -19.759 1.00 16.46 ? 83  ASP   B OD1 1 
ATOM   664  O OD2 . ASP   A 1 77  ? -35.584 -13.050 -21.915 1.00 15.06 ? 83  ASP   B OD2 1 
ATOM   665  N N   . LEU   A 1 78  ? -30.331 -11.975 -20.246 1.00 8.66  ? 84  LEU   B N   1 
ATOM   666  C CA  . LEU   A 1 78  ? -28.978 -11.725 -20.767 1.00 9.04  ? 84  LEU   B CA  1 
ATOM   667  C C   . LEU   A 1 78  ? -28.254 -13.048 -20.955 1.00 8.91  ? 84  LEU   B C   1 
ATOM   668  O O   . LEU   A 1 78  ? -28.394 -13.962 -20.140 1.00 9.22  ? 84  LEU   B O   1 
ATOM   669  C CB  . LEU   A 1 78  ? -28.149 -10.855 -19.824 1.00 9.11  ? 84  LEU   B CB  1 
ATOM   670  C CG  . LEU   A 1 78  ? -28.507 -9.384  -19.685 1.00 10.97 ? 84  LEU   B CG  1 
ATOM   671  C CD1 . LEU   A 1 78  ? -27.662 -8.769  -18.576 1.00 11.61 ? 84  LEU   B CD1 1 
ATOM   672  C CD2 . LEU   A 1 78  ? -28.306 -8.726  -21.006 1.00 11.19 ? 84  LEU   B CD2 1 
ATOM   673  N N   . GLY   A 1 79  ? -27.417 -13.097 -21.988 1.00 8.09  ? 85  GLY   B N   1 
ATOM   674  C CA  . GLY   A 1 79  ? -26.446 -14.201 -22.105 1.00 8.96  ? 85  GLY   B CA  1 
ATOM   675  C C   . GLY   A 1 79  ? -25.916 -14.268 -23.526 1.00 8.42  ? 85  GLY   B C   1 
ATOM   676  O O   . GLY   A 1 79  ? -25.514 -13.249 -24.103 1.00 8.95  ? 85  GLY   B O   1 
ATOM   677  N N   A VAL   A 1 80  ? -25.846 -15.501 -24.043 0.25 8.71  ? 86  VAL   B N   1 
ATOM   678  N N   B VAL   A 1 80  ? -25.882 -15.475 -24.073 0.25 9.32  ? 86  VAL   B N   1 
ATOM   679  C CA  A VAL   A 1 80  ? -25.446 -15.799 -25.449 0.25 8.81  ? 86  VAL   B CA  1 
ATOM   680  C CA  B VAL   A 1 80  ? -25.328 -15.728 -25.429 0.25 9.75  ? 86  VAL   B CA  1 
ATOM   681  C C   A VAL   A 1 80  ? -26.442 -16.768 -26.070 0.25 9.11  ? 86  VAL   B C   1 
ATOM   682  C C   B VAL   A 1 80  ? -26.243 -16.800 -26.053 0.25 9.86  ? 86  VAL   B C   1 
ATOM   683  O O   A VAL   A 1 80  ? -27.165 -17.512 -25.377 0.25 9.43  ? 86  VAL   B O   1 
ATOM   684  O O   B VAL   A 1 80  ? -26.826 -17.579 -25.293 0.25 10.40 ? 86  VAL   B O   1 
ATOM   685  C CB  A VAL   A 1 80  ? -24.041 -16.412 -25.573 0.25 9.01  ? 86  VAL   B CB  1 
ATOM   686  C CB  B VAL   A 1 80  ? -23.839 -16.121 -25.296 0.25 10.93 ? 86  VAL   B CB  1 
ATOM   687  C CG1 A VAL   A 1 80  ? -23.015 -15.376 -25.199 0.25 8.76  ? 86  VAL   B CG1 1 
ATOM   688  C CG1 B VAL   A 1 80  ? -23.673 -17.494 -24.651 0.25 10.87 ? 86  VAL   B CG1 1 
ATOM   689  C CG2 A VAL   A 1 80  ? -23.868 -17.672 -24.733 0.25 8.89  ? 86  VAL   B CG2 1 
ATOM   690  C CG2 B VAL   A 1 80  ? -23.090 -16.025 -26.608 0.25 11.90 ? 86  VAL   B CG2 1 
ATOM   691  N N   . CYS   A 1 81  ? -26.389 -16.838 -27.387 1.00 9.63  ? 87  CYS   B N   1 
ATOM   692  C CA  . CYS   A 1 81  ? -27.203 -17.812 -28.077 1.00 10.50 ? 87  CYS   B CA  1 
ATOM   693  C C   . CYS   A 1 81  ? -26.531 -18.227 -29.382 1.00 10.10 ? 87  CYS   B C   1 
ATOM   694  O O   . CYS   A 1 81  ? -25.664 -17.518 -29.913 1.00 10.10 ? 87  CYS   B O   1 
ATOM   695  C CB  . CYS   A 1 81  ? -28.606 -17.291 -28.360 1.00 11.78 ? 87  CYS   B CB  1 
ATOM   696  S SG  . CYS   A 1 81  ? -28.704 -15.875 -29.483 1.00 11.60 ? 87  CYS   B SG  1 
ATOM   697  N N   A ARG   A 1 82  ? -26.967 -19.358 -29.902 0.25 10.38 ? 88  ARG   B N   1 
ATOM   698  N N   B ARG   A 1 82  ? -26.953 -19.370 -29.899 0.25 10.13 ? 88  ARG   B N   1 
ATOM   699  C CA  A ARG   A 1 82  ? -26.551 -19.755 -31.267 0.25 11.01 ? 88  ARG   B CA  1 
ATOM   700  C CA  B ARG   A 1 82  ? -26.512 -19.833 -31.242 0.25 10.59 ? 88  ARG   B CA  1 
ATOM   701  C C   A ARG   A 1 82  ? -26.976 -18.702 -32.289 0.25 10.82 ? 88  ARG   B C   1 
ATOM   702  C C   B ARG   A 1 82  ? -27.032 -18.870 -32.329 0.25 10.75 ? 88  ARG   B C   1 
ATOM   703  O O   A ARG   A 1 82  ? -28.020 -18.061 -32.170 0.25 10.14 ? 88  ARG   B O   1 
ATOM   704  O O   B ARG   A 1 82  ? -28.227 -18.447 -32.265 0.25 10.50 ? 88  ARG   B O   1 
ATOM   705  C CB  A ARG   A 1 82  ? -27.206 -21.072 -31.663 0.25 12.25 ? 88  ARG   B CB  1 
ATOM   706  C CB  B ARG   A 1 82  ? -27.031 -21.259 -31.456 0.25 11.37 ? 88  ARG   B CB  1 
ATOM   707  C CG  A ARG   A 1 82  ? -26.795 -22.201 -30.744 0.25 13.05 ? 88  ARG   B CG  1 
ATOM   708  C CG  B ARG   A 1 82  ? -26.357 -22.006 -32.595 0.25 11.49 ? 88  ARG   B CG  1 
ATOM   709  C CD  A ARG   A 1 82  ? -27.276 -23.539 -31.238 0.25 14.67 ? 88  ARG   B CD  1 
ATOM   710  C CD  B ARG   A 1 82  ? -26.937 -23.379 -32.855 0.25 11.62 ? 88  ARG   B CD  1 
ATOM   711  N NE  A ARG   A 1 82  ? -26.936 -24.577 -30.273 0.25 13.74 ? 88  ARG   B NE  1 
ATOM   712  N NE  B ARG   A 1 82  ? -26.799 -24.197 -31.677 0.25 11.58 ? 88  ARG   B NE  1 
ATOM   713  C CZ  A ARG   A 1 82  ? -27.757 -25.548 -29.921 0.25 14.62 ? 88  ARG   B CZ  1 
ATOM   714  C CZ  B ARG   A 1 82  ? -27.814 -24.773 -31.025 0.25 11.42 ? 88  ARG   B CZ  1 
ATOM   715  N NH1 A ARG   A 1 82  ? -28.972 -25.599 -30.431 0.25 14.58 ? 88  ARG   B NH1 1 
ATOM   716  N NH1 B ARG   A 1 82  ? -29.034 -24.696 -31.500 0.25 12.75 ? 88  ARG   B NH1 1 
ATOM   717  N NH2 A ARG   A 1 82  ? -27.361 -26.460 -29.056 0.25 16.21 ? 88  ARG   B NH2 1 
ATOM   718  N NH2 B ARG   A 1 82  ? -27.588 -25.462 -29.923 0.25 11.37 ? 88  ARG   B NH2 1 
ATOM   719  N N   . ASP   A 1 83  ? -26.196 -18.577 -33.343 1.00 11.65 ? 89  ASP   B N   1 
ATOM   720  C CA  . ASP   A 1 83  ? -26.605 -17.684 -34.454 1.00 13.03 ? 89  ASP   B CA  1 
ATOM   721  C C   . ASP   A 1 83  ? -27.904 -18.212 -35.056 1.00 14.19 ? 89  ASP   B C   1 
ATOM   722  O O   . ASP   A 1 83  ? -28.640 -17.350 -35.625 1.00 17.13 ? 89  ASP   B O   1 
ATOM   723  C CB  . ASP   A 1 83  ? -25.476 -17.585 -35.486 1.00 14.66 ? 89  ASP   B CB  1 
ATOM   724  C CG  . ASP   A 1 83  ? -25.077 -18.852 -36.186 1.00 17.86 ? 89  ASP   B CG  1 
ATOM   725  O OD1 . ASP   A 1 83  ? -25.557 -19.948 -35.795 1.00 21.00 ? 89  ASP   B OD1 1 
ATOM   726  O OD2 . ASP   A 1 83  ? -24.294 -18.714 -37.162 1.00 21.48 ? 89  ASP   B OD2 1 
ATOM   727  N N   . SER   A 1 84  ? -28.199 -19.502 -35.035 1.00 12.67 ? 90  SER   B N   1 
ATOM   728  C CA  . SER   A 1 84  ? -29.362 -20.090 -35.733 1.00 14.73 ? 90  SER   B CA  1 
ATOM   729  C C   . SER   A 1 84  ? -30.629 -20.217 -34.861 1.00 13.36 ? 90  SER   B C   1 
ATOM   730  O O   . SER   A 1 84  ? -31.536 -20.948 -35.231 1.00 14.54 ? 90  SER   B O   1 
ATOM   731  C CB  . SER   A 1 84  ? -28.949 -21.427 -36.286 1.00 16.96 ? 90  SER   B CB  1 
ATOM   732  O OG  . SER   A 1 84  ? -28.493 -22.247 -35.304 1.00 18.12 ? 90  SER   B OG  1 
ATOM   733  N N   . VAL   A 1 85  ? -30.682 -19.578 -33.686 1.00 12.54 ? 91  VAL   B N   1 
ATOM   734  C CA  . VAL   A 1 85  ? -31.919 -19.648 -32.872 1.00 12.59 ? 91  VAL   B CA  1 
ATOM   735  C C   . VAL   A 1 85  ? -33.136 -19.154 -33.681 1.00 12.34 ? 91  VAL   B C   1 
ATOM   736  O O   . VAL   A 1 85  ? -33.026 -18.230 -34.502 1.00 13.33 ? 91  VAL   B O   1 
ATOM   737  C CB  . VAL   A 1 85  ? -31.822 -18.896 -31.515 1.00 11.69 ? 91  VAL   B CB  1 
ATOM   738  C CG1 . VAL   A 1 85  ? -30.809 -19.555 -30.603 1.00 11.71 ? 91  VAL   B CG1 1 
ATOM   739  C CG2 . VAL   A 1 85  ? -31.612 -17.422 -31.654 1.00 12.10 ? 91  VAL   B CG2 1 
ATOM   740  N N   . GLN   A 1 86  ? -34.258 -19.776 -33.367 1.00 13.62 ? 92  GLN   B N   1 
ATOM   741  C CA  . GLN   A 1 86  ? -35.611 -19.341 -33.832 1.00 15.08 ? 92  GLN   B CA  1 
ATOM   742  C C   . GLN   A 1 86  ? -35.814 -17.845 -33.544 1.00 14.44 ? 92  GLN   B C   1 
ATOM   743  O O   . GLN   A 1 86  ? -35.528 -17.382 -32.451 1.00 14.35 ? 92  GLN   B O   1 
ATOM   744  C CB  . GLN   A 1 86  ? -36.628 -20.212 -33.103 1.00 16.83 ? 92  GLN   B CB  1 
ATOM   745  C CG  . GLN   A 1 86  ? -38.105 -19.909 -33.391 1.00 20.72 ? 92  GLN   B CG  1 
ATOM   746  C CD  . GLN   A 1 86  ? -39.007 -20.763 -32.504 1.00 23.30 ? 92  GLN   B CD  1 
ATOM   747  O OE1 . GLN   A 1 86  ? -38.588 -21.770 -31.876 1.00 24.96 ? 92  GLN   B OE1 1 
ATOM   748  N NE2 . GLN   A 1 86  ? -40.286 -20.396 -32.404 1.00 25.69 ? 92  GLN   B NE2 1 
ATOM   749  N N   . ARG   A 1 87  ? -36.352 -17.110 -34.505 1.00 13.43 ? 93  ARG   B N   1 
ATOM   750  C CA  . ARG   A 1 87  ? -36.647 -15.660 -34.358 1.00 12.81 ? 93  ARG   B CA  1 
ATOM   751  C C   . ARG   A 1 87  ? -38.153 -15.427 -34.228 1.00 13.67 ? 93  ARG   B C   1 
ATOM   752  O O   . ARG   A 1 87  ? -38.531 -14.421 -33.621 1.00 13.86 ? 93  ARG   B O   1 
ATOM   753  C CB  . ARG   A 1 87  ? -36.100 -14.850 -35.512 1.00 13.58 ? 93  ARG   B CB  1 
ATOM   754  C CG  . ARG   A 1 87  ? -34.637 -15.079 -35.851 1.00 13.61 ? 93  ARG   B CG  1 
ATOM   755  C CD  . ARG   A 1 87  ? -33.737 -14.815 -34.622 1.00 14.02 ? 93  ARG   B CD  1 
ATOM   756  N NE  . ARG   A 1 87  ? -32.360 -15.277 -34.927 1.00 14.64 ? 93  ARG   B NE  1 
ATOM   757  C CZ  . ARG   A 1 87  ? -31.441 -14.581 -35.555 1.00 14.34 ? 93  ARG   B CZ  1 
ATOM   758  N NH1 . ARG   A 1 87  ? -31.698 -13.360 -35.944 1.00 16.44 ? 93  ARG   B NH1 1 
ATOM   759  N NH2 . ARG   A 1 87  ? -30.266 -15.115 -35.840 1.00 17.54 ? 93  ARG   B NH2 1 
ATOM   760  N N   . LYS   A 1 88  ? -38.993 -16.269 -34.835 1.00 13.46 ? 94  LYS   B N   1 
ATOM   761  C CA  . LYS   A 1 88  ? -40.456 -15.984 -34.966 1.00 14.06 ? 94  LYS   B CA  1 
ATOM   762  C C   . LYS   A 1 88  ? -41.274 -16.872 -34.067 1.00 16.33 ? 94  LYS   B C   1 
ATOM   763  O O   . LYS   A 1 88  ? -40.914 -18.084 -33.929 1.00 17.66 ? 94  LYS   B O   1 
ATOM   764  C CB  . LYS   A 1 88  ? -40.872 -16.175 -36.427 1.00 14.75 ? 94  LYS   B CB  1 
ATOM   765  C CG  . LYS   A 1 88  ? -40.040 -15.440 -37.435 1.00 16.69 ? 94  LYS   B CG  1 
ATOM   766  C CD  . LYS   A 1 88  ? -39.965 -13.919 -37.232 1.00 17.95 ? 94  LYS   B CD  1 
ATOM   767  C CE  . LYS   A 1 88  ? -39.172 -13.263 -38.319 1.00 17.67 ? 94  LYS   B CE  1 
ATOM   768  N NZ  . LYS   A 1 88  ? -39.080 -11.793 -38.129 1.00 17.71 ? 94  LYS   B NZ  1 
ATOM   769  N N   . GLY   A 1 89  ? -42.335 -16.371 -33.472 1.00 16.72 ? 95  GLY   B N   1 
ATOM   770  C CA  . GLY   A 1 89  ? -43.218 -17.189 -32.641 1.00 16.42 ? 95  GLY   B CA  1 
ATOM   771  C C   . GLY   A 1 89  ? -42.745 -17.333 -31.215 1.00 18.11 ? 95  GLY   B C   1 
ATOM   772  O O   . GLY   A 1 89  ? -41.782 -16.567 -30.798 1.00 17.83 ? 95  GLY   B O   1 
ATOM   773  N N   . GLN   A 1 90  ? -43.394 -18.234 -30.489 1.00 18.17 ? 96  GLN   B N   1 
ATOM   774  C CA  . GLN   A 1 90  ? -43.140 -18.455 -29.067 1.00 20.16 ? 96  GLN   B CA  1 
ATOM   775  C C   . GLN   A 1 90  ? -42.067 -19.526 -28.903 1.00 19.52 ? 96  GLN   B C   1 
ATOM   776  O O   . GLN   A 1 90  ? -41.975 -20.460 -29.726 1.00 19.59 ? 96  GLN   B O   1 
ATOM   777  C CB  . GLN   A 1 90  ? -44.442 -18.866 -28.367 1.00 24.21 ? 96  GLN   B CB  1 
ATOM   778  C CG  . GLN   A 1 90  ? -45.415 -17.707 -28.312 1.00 32.61 ? 96  GLN   B CG  1 
ATOM   779  C CD  . GLN   A 1 90  ? -46.802 -18.176 -27.988 1.00 42.32 ? 96  GLN   B CD  1 
ATOM   780  O OE1 . GLN   A 1 90  ? -47.266 -18.006 -26.861 1.00 55.91 ? 96  GLN   B OE1 1 
ATOM   781  N NE2 . GLN   A 1 90  ? -47.442 -18.800 -28.974 1.00 45.37 ? 96  GLN   B NE2 1 
ATOM   782  N N   . PHE   A 1 91  ? -41.198 -19.334 -27.913 1.00 16.65 ? 97  PHE   B N   1 
ATOM   783  C CA  . PHE   A 1 91  ? -40.170 -20.326 -27.538 1.00 16.43 ? 97  PHE   B CA  1 
ATOM   784  C C   . PHE   A 1 91  ? -39.675 -20.036 -26.127 1.00 15.72 ? 97  PHE   B C   1 
ATOM   785  O O   . PHE   A 1 91  ? -39.832 -18.929 -25.596 1.00 17.46 ? 97  PHE   B O   1 
ATOM   786  C CB  . PHE   A 1 91  ? -38.986 -20.283 -28.503 1.00 15.68 ? 97  PHE   B CB  1 
ATOM   787  C CG  . PHE   A 1 91  ? -38.368 -18.917 -28.665 1.00 15.10 ? 97  PHE   B CG  1 
ATOM   788  C CD1 . PHE   A 1 91  ? -37.362 -18.507 -27.793 1.00 15.60 ? 97  PHE   B CD1 1 
ATOM   789  C CD2 . PHE   A 1 91  ? -38.725 -18.056 -29.690 1.00 15.30 ? 97  PHE   B CD2 1 
ATOM   790  C CE1 . PHE   A 1 91  ? -36.752 -17.275 -27.937 1.00 14.67 ? 97  PHE   B CE1 1 
ATOM   791  C CE2 . PHE   A 1 91  ? -38.102 -16.828 -29.838 1.00 14.89 ? 97  PHE   B CE2 1 
ATOM   792  C CZ  . PHE   A 1 91  ? -37.109 -16.451 -28.968 1.00 15.33 ? 97  PHE   B CZ  1 
ATOM   793  N N   A SER   A 1 92  ? -39.112 -21.050 -25.474 0.25 16.05 ? 98  SER   B N   1 
ATOM   794  N N   B SER   A 1 92  ? -39.098 -21.073 -25.521 0.25 15.36 ? 98  SER   B N   1 
ATOM   795  C CA  A SER   A 1 92  ? -38.489 -20.894 -24.138 0.25 16.46 ? 98  SER   B CA  1 
ATOM   796  C CA  B SER   A 1 92  ? -38.446 -21.029 -24.191 0.25 15.46 ? 98  SER   B CA  1 
ATOM   797  C C   A SER   A 1 92  ? -36.976 -20.760 -24.296 0.25 14.95 ? 98  SER   B C   1 
ATOM   798  C C   B SER   A 1 92  ? -36.959 -20.705 -24.369 0.25 14.41 ? 98  SER   B C   1 
ATOM   799  O O   A SER   A 1 92  ? -36.388 -21.396 -25.183 0.25 13.94 ? 98  SER   B O   1 
ATOM   800  O O   B SER   A 1 92  ? -36.371 -21.115 -25.410 0.25 13.80 ? 98  SER   B O   1 
ATOM   801  C CB  A SER   A 1 92  ? -38.805 -22.035 -23.233 0.25 19.16 ? 98  SER   B CB  1 
ATOM   802  C CB  B SER   A 1 92  ? -38.634 -22.337 -23.466 0.25 16.50 ? 98  SER   B CB  1 
ATOM   803  O OG  A SER   A 1 92  ? -38.506 -23.249 -23.890 0.25 22.28 ? 98  SER   B OG  1 
ATOM   804  O OG  B SER   A 1 92  ? -40.012 -22.540 -23.153 0.25 18.78 ? 98  SER   B OG  1 
ATOM   805  N N   . LEU   A 1 93  ? -36.378 -19.991 -23.402 1.00 13.82 ? 99  LEU   B N   1 
ATOM   806  C CA  . LEU   A 1 93  ? -34.924 -19.839 -23.318 1.00 14.21 ? 99  LEU   B CA  1 
ATOM   807  C C   . LEU   A 1 93  ? -34.345 -21.041 -22.621 1.00 13.65 ? 99  LEU   B C   1 
ATOM   808  O O   . LEU   A 1 93  ? -34.471 -21.218 -21.420 1.00 15.92 ? 99  LEU   B O   1 
ATOM   809  C CB  . LEU   A 1 93  ? -34.565 -18.564 -22.565 1.00 14.16 ? 99  LEU   B CB  1 
ATOM   810  C CG  . LEU   A 1 93  ? -35.054 -17.270 -23.206 1.00 15.43 ? 99  LEU   B CG  1 
ATOM   811  C CD1 . LEU   A 1 93  ? -34.688 -16.067 -22.327 1.00 16.35 ? 99  LEU   B CD1 1 
ATOM   812  C CD2 . LEU   A 1 93  ? -34.487 -17.079 -24.594 1.00 17.24 ? 99  LEU   B CD2 1 
ATOM   813  N N   . SER   A 1 94  ? -33.656 -21.907 -23.359 1.00 12.61 ? 100 SER   B N   1 
ATOM   814  C CA  . SER   A 1 94  ? -33.078 -23.155 -22.832 1.00 12.80 ? 100 SER   B CA  1 
ATOM   815  C C   . SER   A 1 94  ? -31.863 -23.514 -23.670 1.00 11.26 ? 100 SER   B C   1 
ATOM   816  O O   . SER   A 1 94  ? -31.841 -23.185 -24.863 1.00 11.66 ? 100 SER   B O   1 
ATOM   817  C CB  . SER   A 1 94  ? -34.035 -24.319 -22.844 1.00 14.65 ? 100 SER   B CB  1 
ATOM   818  O OG  . SER   A 1 94  ? -34.364 -24.678 -24.173 1.00 18.01 ? 100 SER   B OG  1 
ATOM   819  N N   . PRO   A 1 95  ? -30.920 -24.271 -23.142 1.00 11.44 ? 101 PRO   B N   1 
ATOM   820  C CA  . PRO   A 1 95  ? -29.813 -24.780 -23.955 1.00 12.49 ? 101 PRO   B CA  1 
ATOM   821  C C   . PRO   A 1 95  ? -30.318 -25.667 -25.102 1.00 12.96 ? 101 PRO   B C   1 
ATOM   822  O O   . PRO   A 1 95  ? -29.738 -25.550 -26.216 1.00 13.22 ? 101 PRO   B O   1 
ATOM   823  C CB  . PRO   A 1 95  ? -28.914 -25.555 -22.972 1.00 12.88 ? 101 PRO   B CB  1 
ATOM   824  C CG  . PRO   A 1 95  ? -29.230 -24.852 -21.642 1.00 13.41 ? 101 PRO   B CG  1 
ATOM   825  C CD  . PRO   A 1 95  ? -30.704 -24.534 -21.718 1.00 13.01 ? 101 PRO   B CD  1 
ATOM   826  N N   . GLU   A 1 96  ? -31.404 -26.410 -24.915 1.00 13.49 ? 102 GLU   B N   1 
ATOM   827  C CA  . GLU   A 1 96  ? -31.942 -27.252 -26.015 1.00 15.98 ? 102 GLU   B CA  1 
ATOM   828  C C   . GLU   A 1 96  ? -32.353 -26.357 -27.190 1.00 15.65 ? 102 GLU   B C   1 
ATOM   829  O O   . GLU   A 1 96  ? -32.306 -26.796 -28.355 1.00 16.90 ? 102 GLU   B O   1 
ATOM   830  C CB  . GLU   A 1 96  ? -33.099 -28.080 -25.478 1.00 21.07 ? 102 GLU   B CB  1 
ATOM   831  C CG  . GLU   A 1 96  ? -32.734 -28.924 -24.274 1.00 29.80 ? 102 GLU   B CG  1 
ATOM   832  C CD  . GLU   A 1 96  ? -33.149 -28.350 -22.921 1.00 36.80 ? 102 GLU   B CD  1 
ATOM   833  O OE1 . GLU   A 1 96  ? -32.373 -27.504 -22.313 1.00 23.75 ? 102 GLU   B OE1 1 
ATOM   834  O OE2 . GLU   A 1 96  ? -34.250 -28.788 -22.448 1.00 45.50 ? 102 GLU   B OE2 1 
ATOM   835  N N   . ASN   A 1 97  ? -32.822 -25.132 -26.939 1.00 13.42 ? 103 ASN   B N   1 
ATOM   836  C CA  . ASN   A 1 97  ? -33.234 -24.195 -28.000 1.00 13.08 ? 103 ASN   B CA  1 
ATOM   837  C C   . ASN   A 1 97  ? -32.073 -23.282 -28.409 1.00 12.01 ? 103 ASN   B C   1 
ATOM   838  O O   . ASN   A 1 97  ? -32.277 -22.423 -29.266 1.00 13.38 ? 103 ASN   B O   1 
ATOM   839  C CB  . ASN   A 1 97  ? -34.458 -23.372 -27.570 1.00 14.52 ? 103 ASN   B CB  1 
ATOM   840  C CG  . ASN   A 1 97  ? -35.737 -24.158 -27.545 1.00 17.21 ? 103 ASN   B CG  1 
ATOM   841  O OD1 . ASN   A 1 97  ? -35.844 -25.225 -28.180 1.00 19.45 ? 103 ASN   B OD1 1 
ATOM   842  N ND2 . ASN   A 1 97  ? -36.690 -23.687 -26.754 1.00 18.54 ? 103 ASN   B ND2 1 
ATOM   843  N N   . GLY   A 1 98  ? -30.857 -23.456 -27.889 1.00 10.65 ? 104 GLY   B N   1 
ATOM   844  C CA  . GLY   A 1 98  ? -29.707 -22.661 -28.301 1.00 10.48 ? 104 GLY   B CA  1 
ATOM   845  C C   . GLY   A 1 98  ? -29.443 -21.382 -27.513 1.00 9.57  ? 104 GLY   B C   1 
ATOM   846  O O   . GLY   A 1 98  ? -28.776 -20.509 -28.020 1.00 10.90 ? 104 GLY   B O   1 
ATOM   847  N N   . PHE   A 1 99  ? -29.907 -21.347 -26.238 1.00 10.35 ? 105 PHE   B N   1 
ATOM   848  C CA  . PHE   A 1 99  ? -29.700 -20.162 -25.372 1.00 9.73  ? 105 PHE   B CA  1 
ATOM   849  C C   . PHE   A 1 99  ? -29.005 -20.515 -24.064 1.00 8.90  ? 105 PHE   B C   1 
ATOM   850  O O   . PHE   A 1 99  ? -29.470 -21.504 -23.434 1.00 10.85 ? 105 PHE   B O   1 
ATOM   851  C CB  . PHE   A 1 99  ? -31.048 -19.496 -25.044 1.00 10.34 ? 105 PHE   B CB  1 
ATOM   852  C CG  . PHE   A 1 99  ? -31.849 -18.987 -26.218 1.00 10.20 ? 105 PHE   B CG  1 
ATOM   853  C CD1 . PHE   A 1 99  ? -32.737 -19.816 -26.871 1.00 10.76 ? 105 PHE   B CD1 1 
ATOM   854  C CD2 . PHE   A 1 99  ? -31.705 -17.693 -26.675 1.00 10.26 ? 105 PHE   B CD2 1 
ATOM   855  C CE1 . PHE   A 1 99  ? -33.481 -19.357 -27.954 1.00 12.12 ? 105 PHE   B CE1 1 
ATOM   856  C CE2 . PHE   A 1 99  ? -32.449 -17.244 -27.752 1.00 10.99 ? 105 PHE   B CE2 1 
ATOM   857  C CZ  . PHE   A 1 99  ? -33.339 -18.073 -28.367 1.00 11.09 ? 105 PHE   B CZ  1 
ATOM   858  N N   . TRP   A 1 100 ? -28.062 -19.679 -23.639 1.00 8.80  ? 106 TRP   B N   1 
ATOM   859  C CA  . TRP   A 1 100 ? -27.392 -19.781 -22.329 1.00 9.06  ? 106 TRP   B CA  1 
ATOM   860  C C   . TRP   A 1 100 ? -27.545 -18.429 -21.647 1.00 8.03  ? 106 TRP   B C   1 
ATOM   861  O O   . TRP   A 1 100 ? -26.805 -17.489 -21.964 1.00 9.18  ? 106 TRP   B O   1 
ATOM   862  C CB  . TRP   A 1 100 ? -25.937 -20.245 -22.460 1.00 8.80  ? 106 TRP   B CB  1 
ATOM   863  C CG  . TRP   A 1 100 ? -25.837 -21.609 -23.092 1.00 9.12  ? 106 TRP   B CG  1 
ATOM   864  C CD1 . TRP   A 1 100 ? -25.748 -22.808 -22.449 1.00 10.56 ? 106 TRP   B CD1 1 
ATOM   865  C CD2 . TRP   A 1 100 ? -25.852 -21.934 -24.504 1.00 9.86  ? 106 TRP   B CD2 1 
ATOM   866  N NE1 . TRP   A 1 100 ? -25.788 -23.849 -23.369 1.00 10.69 ? 106 TRP   B NE1 1 
ATOM   867  C CE2 . TRP   A 1 100 ? -25.846 -23.333 -24.625 1.00 10.95 ? 106 TRP   B CE2 1 
ATOM   868  C CE3 . TRP   A 1 100 ? -25.917 -21.149 -25.661 1.00 10.26 ? 106 TRP   B CE3 1 
ATOM   869  C CZ2 . TRP   A 1 100 ? -25.897 -23.974 -25.878 1.00 11.68 ? 106 TRP   B CZ2 1 
ATOM   870  C CZ3 . TRP   A 1 100 ? -25.951 -21.789 -26.895 1.00 12.13 ? 106 TRP   B CZ3 1 
ATOM   871  C CH2 . TRP   A 1 100 ? -25.952 -23.166 -26.985 1.00 12.20 ? 106 TRP   B CH2 1 
ATOM   872  N N   . THR   A 1 101 ? -28.551 -18.339 -20.765 1.00 8.72  ? 107 THR   B N   1 
ATOM   873  C CA  . THR   A 1 101 ? -29.058 -17.029 -20.286 1.00 8.80  ? 107 THR   B CA  1 
ATOM   874  C C   . THR   A 1 101 ? -29.399 -17.106 -18.786 1.00 8.58  ? 107 THR   B C   1 
ATOM   875  O O   . THR   A 1 101 ? -29.665 -18.176 -18.246 1.00 9.24  ? 107 THR   B O   1 
ATOM   876  C CB  . THR   A 1 101 ? -30.304 -16.588 -21.055 1.00 9.39  ? 107 THR   B CB  1 
ATOM   877  O OG1 . THR   A 1 101 ? -31.367 -17.504 -20.846 1.00 10.24 ? 107 THR   B OG1 1 
ATOM   878  C CG2 . THR   A 1 101 ? -29.983 -16.361 -22.519 1.00 9.81  ? 107 THR   B CG2 1 
ATOM   879  N N   . ILE   A 1 102 ? -29.435 -15.914 -18.189 1.00 9.06  ? 108 ILE   B N   1 
ATOM   880  C CA  . ILE   A 1 102 ? -30.075 -15.690 -16.846 1.00 8.97  ? 108 ILE   B CA  1 
ATOM   881  C C   . ILE   A 1 102 ? -31.095 -14.571 -17.037 1.00 9.13  ? 108 ILE   B C   1 
ATOM   882  O O   . ILE   A 1 102 ? -31.020 -13.782 -18.034 1.00 9.55  ? 108 ILE   B O   1 
ATOM   883  C CB  . ILE   A 1 102 ? -29.054 -15.364 -15.730 1.00 9.30  ? 108 ILE   B CB  1 
ATOM   884  C CG1 . ILE   A 1 102 ? -28.345 -14.026 -15.924 1.00 10.18 ? 108 ILE   B CG1 1 
ATOM   885  C CG2 . ILE   A 1 102 ? -28.049 -16.508 -15.646 1.00 9.95  ? 108 ILE   B CG2 1 
ATOM   886  C CD1 . ILE   A 1 102 ? -27.552 -13.564 -14.738 1.00 10.91 ? 108 ILE   B CD1 1 
ATOM   887  N N   . TRP   A 1 103 ? -31.950 -14.412 -16.050 1.00 9.40  ? 109 TRP   B N   1 
ATOM   888  C CA  . TRP   A 1 103 ? -32.969 -13.350 -16.110 1.00 10.12 ? 109 TRP   B CA  1 
ATOM   889  C C   . TRP   A 1 103 ? -33.368 -12.876 -14.743 1.00 10.28 ? 109 TRP   B C   1 
ATOM   890  O O   . TRP   A 1 103 ? -33.186 -13.564 -13.714 1.00 10.63 ? 109 TRP   B O   1 
ATOM   891  C CB  . TRP   A 1 103 ? -34.157 -13.752 -16.922 1.00 12.50 ? 109 TRP   B CB  1 
ATOM   892  C CG  . TRP   A 1 103 ? -34.956 -14.872 -16.403 1.00 14.18 ? 109 TRP   B CG  1 
ATOM   893  C CD1 . TRP   A 1 103 ? -35.800 -14.887 -15.329 1.00 14.42 ? 109 TRP   B CD1 1 
ATOM   894  C CD2 . TRP   A 1 103 ? -35.063 -16.138 -17.031 1.00 14.64 ? 109 TRP   B CD2 1 
ATOM   895  N NE1 . TRP   A 1 103 ? -36.463 -16.078 -15.274 1.00 17.51 ? 109 TRP   B NE1 1 
ATOM   896  C CE2 . TRP   A 1 103 ? -36.037 -16.862 -16.306 1.00 15.46 ? 109 TRP   B CE2 1 
ATOM   897  C CE3 . TRP   A 1 103 ? -34.475 -16.697 -18.160 1.00 16.36 ? 109 TRP   B CE3 1 
ATOM   898  C CZ2 . TRP   A 1 103 ? -36.388 -18.164 -16.657 1.00 18.71 ? 109 TRP   B CZ2 1 
ATOM   899  C CZ3 . TRP   A 1 103 ? -34.857 -17.959 -18.522 1.00 17.49 ? 109 TRP   B CZ3 1 
ATOM   900  C CH2 . TRP   A 1 103 ? -35.800 -18.664 -17.791 1.00 18.20 ? 109 TRP   B CH2 1 
ATOM   901  N N   . LEU   A 1 104 ? -33.961 -11.672 -14.740 1.00 10.29 ? 110 LEU   B N   1 
ATOM   902  C CA  . LEU   A 1 104 ? -34.751 -11.139 -13.619 1.00 10.78 ? 110 LEU   B CA  1 
ATOM   903  C C   . LEU   A 1 104 ? -36.204 -11.110 -14.039 1.00 10.18 ? 110 LEU   B C   1 
ATOM   904  O O   . LEU   A 1 104 ? -36.511 -10.633 -15.125 1.00 10.42 ? 110 LEU   B O   1 
ATOM   905  C CB  . LEU   A 1 104 ? -34.292 -9.735  -13.317 1.00 11.02 ? 110 LEU   B CB  1 
ATOM   906  C CG  . LEU   A 1 104 ? -35.111 -8.951  -12.290 1.00 11.30 ? 110 LEU   B CG  1 
ATOM   907  C CD1 . LEU   A 1 104 ? -35.141 -9.623  -10.914 1.00 11.80 ? 110 LEU   B CD1 1 
ATOM   908  C CD2 . LEU   A 1 104 ? -34.631 -7.533  -12.190 1.00 12.95 ? 110 LEU   B CD2 1 
ATOM   909  N N   . TRP   A 1 105 ? -37.094 -11.541 -13.144 1.00 11.56 ? 111 TRP   B N   1 
ATOM   910  C CA  . TRP   A 1 105 ? -38.538 -11.550 -13.392 1.00 12.06 ? 111 TRP   B CA  1 
ATOM   911  C C   . TRP   A 1 105 ? -39.246 -11.592 -12.050 1.00 13.75 ? 111 TRP   B C   1 
ATOM   912  O O   . TRP   A 1 105 ? -38.939 -12.472 -11.227 1.00 13.85 ? 111 TRP   B O   1 
ATOM   913  C CB  . TRP   A 1 105 ? -38.900 -12.774 -14.230 1.00 15.98 ? 111 TRP   B CB  1 
ATOM   914  C CG  . TRP   A 1 105 ? -40.343 -13.032 -14.353 1.00 18.53 ? 111 TRP   B CG  1 
ATOM   915  C CD1 . TRP   A 1 105 ? -41.105 -14.045 -13.822 1.00 19.96 ? 111 TRP   B CD1 1 
ATOM   916  C CD2 . TRP   A 1 105 ? -41.196 -12.218 -15.143 1.00 18.49 ? 111 TRP   B CD2 1 
ATOM   917  N NE1 . TRP   A 1 105 ? -42.385 -13.892 -14.239 1.00 20.27 ? 111 TRP   B NE1 1 
ATOM   918  C CE2 . TRP   A 1 105 ? -42.478 -12.781 -15.039 1.00 17.40 ? 111 TRP   B CE2 1 
ATOM   919  C CE3 . TRP   A 1 105 ? -41.006 -11.089 -15.944 1.00 17.64 ? 111 TRP   B CE3 1 
ATOM   920  C CZ2 . TRP   A 1 105 ? -43.575 -12.250 -15.697 1.00 22.16 ? 111 TRP   B CZ2 1 
ATOM   921  C CZ3 . TRP   A 1 105 ? -42.109 -10.535 -16.557 1.00 22.63 ? 111 TRP   B CZ3 1 
ATOM   922  C CH2 . TRP   A 1 105 ? -43.376 -11.090 -16.422 1.00 21.45 ? 111 TRP   B CH2 1 
ATOM   923  N N   . GLN   A 1 106 ? -40.139 -10.622 -11.786 1.00 12.28 ? 112 GLN   B N   1 
ATOM   924  C CA  . GLN   A 1 106 ? -40.970 -10.672 -10.542 1.00 12.43 ? 112 GLN   B CA  1 
ATOM   925  C C   . GLN   A 1 106 ? -40.086 -10.853 -9.338  1.00 14.21 ? 112 GLN   B C   1 
ATOM   926  O O   . GLN   A 1 106 ? -40.443 -11.695 -8.436  1.00 15.76 ? 112 GLN   B O   1 
ATOM   927  C CB  . GLN   A 1 106 ? -42.080 -11.705 -10.680 1.00 14.53 ? 112 GLN   B CB  1 
ATOM   928  C CG  . GLN   A 1 106 ? -43.009 -11.381 -11.831 1.00 15.45 ? 112 GLN   B CG  1 
ATOM   929  C CD  . GLN   A 1 106 ? -44.261 -12.218 -11.923 1.00 17.85 ? 112 GLN   B CD  1 
ATOM   930  O OE1 . GLN   A 1 106 ? -45.203 -11.871 -12.657 1.00 21.53 ? 112 GLN   B OE1 1 
ATOM   931  N NE2 . GLN   A 1 106 ? -44.300 -13.299 -11.164 1.00 16.67 ? 112 GLN   B NE2 1 
ATOM   932  N N   . ASP   A 1 107 ? -39.083 -10.028 -9.207  1.00 14.51 ? 113 ASP   B N   1 
ATOM   933  C CA  . ASP   A 1 107 ? -38.273 -9.899  -7.995  1.00 18.83 ? 113 ASP   B CA  1 
ATOM   934  C C   . ASP   A 1 107 ? -37.463 -11.182 -7.710  1.00 18.55 ? 113 ASP   B C   1 
ATOM   935  O O   . ASP   A 1 107 ? -36.836 -11.228 -6.593  1.00 25.92 ? 113 ASP   B O   1 
ATOM   936  C CB  . ASP   A 1 107 ? -39.240 -9.636  -6.836  1.00 21.50 ? 113 ASP   B CB  1 
ATOM   937  C CG  . ASP   A 1 107 ? -38.606 -9.043  -5.633  1.00 29.44 ? 113 ASP   B CG  1 
ATOM   938  O OD1 . ASP   A 1 107 ? -37.660 -8.220  -5.775  1.00 32.81 ? 113 ASP   B OD1 1 
ATOM   939  O OD2 . ASP   A 1 107 ? -39.129 -9.371  -4.528  1.00 38.62 ? 113 ASP   B OD2 1 
ATOM   940  N N   . SER   A 1 108 ? -37.308 -12.100 -8.669  1.00 14.60 ? 114 SER   B N   1 
ATOM   941  C CA  . SER   A 1 108 ? -36.379 -13.264 -8.526  1.00 16.26 ? 114 SER   B CA  1 
ATOM   942  C C   . SER   A 1 108 ? -35.472 -13.369 -9.743  1.00 13.89 ? 114 SER   B C   1 
ATOM   943  O O   . SER   A 1 108 ? -35.870 -13.034 -10.903 1.00 14.12 ? 114 SER   B O   1 
ATOM   944  C CB  . SER   A 1 108 ? -37.148 -14.493 -8.153  1.00 19.65 ? 114 SER   B CB  1 
ATOM   945  O OG  . SER   A 1 108 ? -37.902 -15.020 -9.198  1.00 30.50 ? 114 SER   B OG  1 
ATOM   946  N N   . TYR   A 1 109 ? -34.289 -13.883 -9.514  1.00 12.22 ? 115 TYR   B N   1 
ATOM   947  C CA  . TYR   A 1 109 ? -33.284 -14.199 -10.566 1.00 11.68 ? 115 TYR   B CA  1 
ATOM   948  C C   . TYR   A 1 109 ? -33.258 -15.688 -10.823 1.00 11.46 ? 115 TYR   B C   1 
ATOM   949  O O   . TYR   A 1 109 ? -33.256 -16.480 -9.868  1.00 11.93 ? 115 TYR   B O   1 
ATOM   950  C CB  . TYR   A 1 109 ? -31.938 -13.667 -10.148 1.00 11.86 ? 115 TYR   B CB  1 
ATOM   951  C CG  . TYR   A 1 109 ? -31.879 -12.159 -9.910  1.00 12.05 ? 115 TYR   B CG  1 
ATOM   952  C CD1 . TYR   A 1 109 ? -32.122 -11.625 -8.659  1.00 12.80 ? 115 TYR   B CD1 1 
ATOM   953  C CD2 . TYR   A 1 109 ? -31.487 -11.291 -10.916 1.00 11.46 ? 115 TYR   B CD2 1 
ATOM   954  C CE1 . TYR   A 1 109 ? -32.001 -10.258 -8.421  1.00 12.94 ? 115 TYR   B CE1 1 
ATOM   955  C CE2 . TYR   A 1 109 ? -31.421 -9.924  -10.712 1.00 11.76 ? 115 TYR   B CE2 1 
ATOM   956  C CZ  . TYR   A 1 109 ? -31.677 -9.413  -9.456  1.00 12.56 ? 115 TYR   B CZ  1 
ATOM   957  O OH  . TYR   A 1 109 ? -31.664 -8.057  -9.205  1.00 13.98 ? 115 TYR   B OH  1 
ATOM   958  N N   A GLU   A 1 110 ? -33.241 -16.093 -12.097 0.25 11.11 ? 116 GLU   B N   1 
ATOM   959  N N   B GLU   A 1 110 ? -33.262 -16.077 -12.101 0.25 11.19 ? 116 GLU   B N   1 
ATOM   960  C CA  A GLU   A 1 110 ? -33.235 -17.528 -12.494 0.25 11.29 ? 116 GLU   B CA  1 
ATOM   961  C CA  B GLU   A 1 110 ? -33.263 -17.497 -12.550 0.25 11.42 ? 116 GLU   B CA  1 
ATOM   962  C C   A GLU   A 1 110 ? -32.318 -17.747 -13.697 0.25 10.08 ? 116 GLU   B C   1 
ATOM   963  C C   B GLU   A 1 110 ? -32.189 -17.685 -13.630 0.25 9.87  ? 116 GLU   B C   1 
ATOM   964  O O   A GLU   A 1 110 ? -32.262 -16.892 -14.575 0.25 10.05 ? 116 GLU   B O   1 
ATOM   965  O O   B GLU   A 1 110 ? -31.827 -16.714 -14.316 0.25 9.02  ? 116 GLU   B O   1 
ATOM   966  C CB  A GLU   A 1 110 ? -34.645 -18.009 -12.813 0.25 12.69 ? 116 GLU   B CB  1 
ATOM   967  C CB  B GLU   A 1 110 ? -34.646 -17.893 -13.065 0.25 13.15 ? 116 GLU   B CB  1 
ATOM   968  C CG  A GLU   A 1 110 ? -35.597 -17.900 -11.622 0.25 14.05 ? 116 GLU   B CG  1 
ATOM   969  C CG  B GLU   A 1 110 ? -35.764 -17.714 -12.033 0.25 15.47 ? 116 GLU   B CG  1 
ATOM   970  C CD  A GLU   A 1 110 ? -37.031 -18.238 -11.985 0.25 15.47 ? 116 GLU   B CD  1 
ATOM   971  C CD  B GLU   A 1 110 ? -35.976 -18.896 -11.095 0.25 17.26 ? 116 GLU   B CD  1 
ATOM   972  O OE1 A GLU   A 1 110 ? -37.472 -17.804 -13.056 0.25 18.05 ? 116 GLU   B OE1 1 
ATOM   973  O OE1 B GLU   A 1 110 ? -35.451 -19.993 -11.380 0.25 21.26 ? 116 GLU   B OE1 1 
ATOM   974  O OE2 A GLU   A 1 110 ? -37.717 -18.906 -11.181 0.25 15.85 ? 116 GLU   B OE2 1 
ATOM   975  O OE2 B GLU   A 1 110 ? -36.721 -18.729 -10.115 0.25 22.33 ? 116 GLU   B OE2 1 
ATOM   976  N N   . ALA   A 1 111 ? -31.669 -18.914 -13.746 1.00 9.96  ? 117 ALA   B N   1 
ATOM   977  C CA  . ALA   A 1 111 ? -30.913 -19.343 -14.929 1.00 10.11 ? 117 ALA   B CA  1 
ATOM   978  C C   . ALA   A 1 111 ? -31.859 -20.081 -15.860 1.00 10.85 ? 117 ALA   B C   1 
ATOM   979  O O   . ALA   A 1 111 ? -32.738 -20.888 -15.451 1.00 11.02 ? 117 ALA   B O   1 
ATOM   980  C CB  . ALA   A 1 111 ? -29.740 -20.238 -14.545 1.00 10.50 ? 117 ALA   B CB  1 
ATOM   981  N N   . GLY   A 1 112 ? -31.702 -19.821 -17.172 1.00 10.45 ? 118 GLY   B N   1 
ATOM   982  C CA  . GLY   A 1 112 ? -32.503 -20.414 -18.250 1.00 11.80 ? 118 GLY   B CA  1 
ATOM   983  C C   . GLY   A 1 112 ? -32.140 -21.832 -18.564 1.00 12.14 ? 118 GLY   B C   1 
ATOM   984  O O   . GLY   A 1 112 ? -31.849 -22.178 -19.689 1.00 14.25 ? 118 GLY   B O   1 
ATOM   985  N N   . THR   A 1 113 ? -32.110 -22.716 -17.587 1.00 13.83 ? 119 THR   B N   1 
ATOM   986  C CA  . THR   A 1 113 ? -32.122 -24.174 -17.791 1.00 15.16 ? 119 THR   B CA  1 
ATOM   987  C C   . THR   A 1 113 ? -33.558 -24.646 -18.051 1.00 15.73 ? 119 THR   B C   1 
ATOM   988  O O   . THR   A 1 113 ? -34.461 -23.869 -17.884 1.00 18.03 ? 119 THR   B O   1 
ATOM   989  C CB  . THR   A 1 113 ? -31.489 -24.793 -16.560 1.00 13.02 ? 119 THR   B CB  1 
ATOM   990  O OG1 . THR   A 1 113 ? -32.197 -24.332 -15.379 1.00 13.62 ? 119 THR   B OG1 1 
ATOM   991  C CG2 . THR   A 1 113 ? -30.043 -24.502 -16.368 1.00 14.60 ? 119 THR   B CG2 1 
ATOM   992  N N   . SER   A 1 114 ? -33.755 -25.931 -18.361 1.00 18.80 ? 120 SER   B N   1 
ATOM   993  C CA  . SER   A 1 114 ? -35.113 -26.478 -18.543 1.00 22.84 ? 120 SER   B CA  1 
ATOM   994  C C   . SER   A 1 114 ? -35.285 -27.685 -17.617 1.00 23.20 ? 120 SER   B C   1 
ATOM   995  O O   . SER   A 1 114 ? -34.605 -28.702 -17.772 1.00 25.35 ? 120 SER   B O   1 
ATOM   996  C CB  . SER   A 1 114 ? -35.389 -26.800 -20.011 1.00 27.01 ? 120 SER   B CB  1 
ATOM   997  O OG  . SER   A 1 114 ? -36.726 -27.290 -20.144 1.00 30.78 ? 120 SER   B OG  1 
ATOM   998  N N   . PRO   A 1 115 ? -36.040 -27.537 -16.516 1.00 21.30 ? 121 PRO   B N   1 
ATOM   999  C CA  . PRO   A 1 115 ? -36.706 -26.301 -16.117 1.00 20.84 ? 121 PRO   B CA  1 
ATOM   1000 C C   . PRO   A 1 115 ? -35.709 -25.301 -15.491 1.00 17.31 ? 121 PRO   B C   1 
ATOM   1001 O O   . PRO   A 1 115 ? -34.565 -25.631 -15.213 1.00 16.19 ? 121 PRO   B O   1 
ATOM   1002 C CB  . PRO   A 1 115 ? -37.738 -26.767 -15.092 1.00 24.23 ? 121 PRO   B CB  1 
ATOM   1003 C CG  . PRO   A 1 115 ? -37.078 -27.946 -14.441 1.00 24.06 ? 121 PRO   B CG  1 
ATOM   1004 C CD  . PRO   A 1 115 ? -36.240 -28.615 -15.522 1.00 23.67 ? 121 PRO   B CD  1 
ATOM   1005 N N   . GLN   A 1 116 ? -36.158 -24.074 -15.305 1.00 16.54 ? 122 GLN   B N   1 
ATOM   1006 C CA  . GLN   A 1 116 ? -35.309 -22.963 -14.807 1.00 15.23 ? 122 GLN   B CA  1 
ATOM   1007 C C   . GLN   A 1 116 ? -34.777 -23.243 -13.394 1.00 13.67 ? 122 GLN   B C   1 
ATOM   1008 O O   . GLN   A 1 116 ? -35.416 -23.967 -12.619 1.00 14.71 ? 122 GLN   B O   1 
ATOM   1009 C CB  . GLN   A 1 116 ? -36.009 -21.609 -14.920 1.00 20.22 ? 122 GLN   B CB  1 
ATOM   1010 C CG  . GLN   A 1 116 ? -37.135 -21.367 -13.941 1.00 27.67 ? 122 GLN   B CG  1 
ATOM   1011 C CD  . GLN   A 1 116 ? -38.492 -21.622 -14.547 1.00 39.02 ? 122 GLN   B CD  1 
ATOM   1012 O OE1 . GLN   A 1 116 ? -38.713 -22.582 -15.293 1.00 42.56 ? 122 GLN   B OE1 1 
ATOM   1013 N NE2 . GLN   A 1 116 ? -39.431 -20.770 -14.174 1.00 47.74 ? 122 GLN   B NE2 1 
ATOM   1014 N N   . THR   A 1 117 ? -33.653 -22.633 -13.092 1.00 11.99 ? 123 THR   B N   1 
ATOM   1015 C CA  . THR   A 1 117 ? -32.922 -22.805 -11.826 1.00 11.83 ? 123 THR   B CA  1 
ATOM   1016 C C   . THR   A 1 117 ? -32.955 -21.505 -11.042 1.00 11.89 ? 123 THR   B C   1 
ATOM   1017 O O   . THR   A 1 117 ? -32.495 -20.486 -11.538 1.00 12.76 ? 123 THR   B O   1 
ATOM   1018 C CB  . THR   A 1 117 ? -31.498 -23.308 -12.095 1.00 11.24 ? 123 THR   B CB  1 
ATOM   1019 O OG1 . THR   A 1 117 ? -31.569 -24.529 -12.825 1.00 12.43 ? 123 THR   B OG1 1 
ATOM   1020 C CG2 . THR   A 1 117 ? -30.746 -23.489 -10.795 1.00 12.45 ? 123 THR   B CG2 1 
ATOM   1021 N N   . THR   A 1 118 ? -33.342 -21.579 -9.764  1.00 12.24 ? 124 THR   B N   1 
ATOM   1022 C CA  . THR   A 1 118 ? -33.295 -20.442 -8.848  1.00 12.81 ? 124 THR   B CA  1 
ATOM   1023 C C   . THR   A 1 118 ? -31.870 -19.975 -8.598  1.00 12.38 ? 124 THR   B C   1 
ATOM   1024 O O   . THR   A 1 118 ? -30.957 -20.829 -8.339  1.00 14.17 ? 124 THR   B O   1 
ATOM   1025 C CB  . THR   A 1 118 ? -33.935 -20.887 -7.518  1.00 15.33 ? 124 THR   B CB  1 
ATOM   1026 O OG1 . THR   A 1 118 ? -35.307 -21.156 -7.771  1.00 18.52 ? 124 THR   B OG1 1 
ATOM   1027 C CG2 . THR   A 1 118 ? -33.695 -19.859 -6.437  1.00 18.03 ? 124 THR   B CG2 1 
ATOM   1028 N N   . LEU   A 1 119 ? -31.598 -18.683 -8.695  1.00 11.34 ? 125 LEU   B N   1 
ATOM   1029 C CA  . LEU   A 1 119 ? -30.309 -18.079 -8.381  1.00 10.87 ? 125 LEU   B CA  1 
ATOM   1030 C C   . LEU   A 1 119 ? -30.385 -17.474 -6.969  1.00 13.17 ? 125 LEU   B C   1 
ATOM   1031 O O   . LEU   A 1 119 ? -31.508 -17.201 -6.480  1.00 16.97 ? 125 LEU   B O   1 
ATOM   1032 C CB  . LEU   A 1 119 ? -29.869 -17.004 -9.393  1.00 11.14 ? 125 LEU   B CB  1 
ATOM   1033 C CG  . LEU   A 1 119 ? -29.804 -17.517 -10.834 1.00 10.57 ? 125 LEU   B CG  1 
ATOM   1034 C CD1 . LEU   A 1 119 ? -29.534 -16.402 -11.831 1.00 11.06 ? 125 LEU   B CD1 1 
ATOM   1035 C CD2 . LEU   A 1 119 ? -28.748 -18.609 -10.975 1.00 11.51 ? 125 LEU   B CD2 1 
ATOM   1036 N N   . HIS   A 1 120 ? -29.251 -17.375 -6.307  1.00 12.23 ? 126 HIS   B N   1 
ATOM   1037 C CA  . HIS   A 1 120 ? -29.117 -16.908 -4.899  1.00 12.65 ? 126 HIS   B CA  1 
ATOM   1038 C C   . HIS   A 1 120 ? -28.277 -15.651 -4.926  1.00 14.56 ? 126 HIS   B C   1 
ATOM   1039 O O   . HIS   A 1 120 ? -27.024 -15.720 -4.965  1.00 19.84 ? 126 HIS   B O   1 
ATOM   1040 C CB  . HIS   A 1 120 ? -28.482 -18.022 -4.040  1.00 13.97 ? 126 HIS   B CB  1 
ATOM   1041 C CG  . HIS   A 1 120 ? -29.260 -19.287 -4.015  1.00 13.94 ? 126 HIS   B CG  1 
ATOM   1042 N ND1 . HIS   A 1 120 ? -28.956 -20.360 -4.848  1.00 16.95 ? 126 HIS   B ND1 1 
ATOM   1043 C CD2 . HIS   A 1 120 ? -30.323 -19.645 -3.298  1.00 15.97 ? 126 HIS   B CD2 1 
ATOM   1044 C CE1 . HIS   A 1 120 ? -29.834 -21.317 -4.595  1.00 17.36 ? 126 HIS   B CE1 1 
ATOM   1045 N NE2 . HIS   A 1 120 ? -30.654 -20.933 -3.644  1.00 16.61 ? 126 HIS   B NE2 1 
ATOM   1046 N N   . ILE   A 1 121 ? -28.900 -14.495 -4.990  1.00 16.89 ? 127 ILE   B N   1 
ATOM   1047 C CA  . ILE   A 1 121 ? -28.201 -13.187 -5.129  1.00 18.79 ? 127 ILE   B CA  1 
ATOM   1048 C C   . ILE   A 1 121 ? -28.606 -12.338 -3.892  1.00 18.00 ? 127 ILE   B C   1 
ATOM   1049 O O   . ILE   A 1 121 ? -29.783 -12.096 -3.683  1.00 25.17 ? 127 ILE   B O   1 
ATOM   1050 C CB  . ILE   A 1 121 ? -28.568 -12.535 -6.482  1.00 19.81 ? 127 ILE   B CB  1 
ATOM   1051 C CG1 . ILE   A 1 121 ? -28.146 -13.429 -7.669  1.00 18.43 ? 127 ILE   B CG1 1 
ATOM   1052 C CG2 . ILE   A 1 121 ? -27.975 -11.129 -6.523  1.00 25.18 ? 127 ILE   B CG2 1 
ATOM   1053 C CD1 . ILE   A 1 121 ? -28.334 -12.833 -9.048  1.00 17.83 ? 127 ILE   B CD1 1 
ATOM   1054 N N   . GLN   A 1 122 ? -27.638 -12.003 -3.074  1.00 21.66 ? 128 GLN   B N   1 
ATOM   1055 C CA  . GLN   A 1 122 ? -27.875 -11.200 -1.831  1.00 24.05 ? 128 GLN   B CA  1 
ATOM   1056 C C   . GLN   A 1 122 ? -27.847 -9.708  -2.177  1.00 22.86 ? 128 GLN   B C   1 
ATOM   1057 O O   . GLN   A 1 122 ? -28.630 -8.941  -1.566  1.00 23.18 ? 128 GLN   B O   1 
ATOM   1058 C CB  . GLN   A 1 122 ? -26.787 -11.541 -0.801  1.00 26.54 ? 128 GLN   B CB  1 
ATOM   1059 C CG  . GLN   A 1 122 ? -26.835 -10.711 0.494   1.00 33.35 ? 128 GLN   B CG  1 
ATOM   1060 C CD  . GLN   A 1 122 ? -28.109 -10.877 1.301   1.00 38.92 ? 128 GLN   B CD  1 
ATOM   1061 O OE1 . GLN   A 1 122 ? -28.801 -11.891 1.224   1.00 44.52 ? 128 GLN   B OE1 1 
ATOM   1062 N NE2 . GLN   A 1 122 ? -28.444 -9.863  2.086   1.00 40.72 ? 128 GLN   B NE2 1 
ATOM   1063 N N   . VAL   A 1 123 ? -27.064 -9.326  -3.179  1.00 19.57 ? 129 VAL   B N   1 
ATOM   1064 C CA  . VAL   A 1 123 ? -26.868 -7.897  -3.588  1.00 17.61 ? 129 VAL   B CA  1 
ATOM   1065 C C   . VAL   A 1 123 ? -27.422 -7.705  -4.995  1.00 17.25 ? 129 VAL   B C   1 
ATOM   1066 O O   . VAL   A 1 123 ? -26.779 -8.176  -5.949  1.00 16.70 ? 129 VAL   B O   1 
ATOM   1067 C CB  . VAL   A 1 123 ? -25.394 -7.487  -3.526  1.00 19.08 ? 129 VAL   B CB  1 
ATOM   1068 C CG1 . VAL   A 1 123 ? -25.171 -6.055  -4.027  1.00 19.78 ? 129 VAL   B CG1 1 
ATOM   1069 C CG2 . VAL   A 1 123 ? -24.861 -7.614  -2.095  1.00 20.88 ? 129 VAL   B CG2 1 
ATOM   1070 N N   . PRO   A 1 124 ? -28.651 -7.178  -5.193  1.00 15.99 ? 130 PRO   B N   1 
ATOM   1071 C CA  . PRO   A 1 124 ? -29.216 -7.081  -6.542  1.00 16.24 ? 130 PRO   B CA  1 
ATOM   1072 C C   . PRO   A 1 124 ? -28.221 -6.390  -7.446  1.00 15.64 ? 130 PRO   B C   1 
ATOM   1073 O O   . PRO   A 1 124 ? -27.706 -5.317  -7.175  1.00 16.05 ? 130 PRO   B O   1 
ATOM   1074 C CB  . PRO   A 1 124 ? -30.477 -6.223  -6.314  1.00 19.09 ? 130 PRO   B CB  1 
ATOM   1075 C CG  . PRO   A 1 124 ? -30.891 -6.633  -4.898  1.00 18.96 ? 130 PRO   B CG  1 
ATOM   1076 C CD  . PRO   A 1 124 ? -29.612 -6.725  -4.151  1.00 18.77 ? 130 PRO   B CD  1 
ATOM   1077 N N   . PRO   A 1 125 ? -27.822 -6.987  -8.589  1.00 14.45 ? 131 PRO   B N   1 
ATOM   1078 C CA  . PRO   A 1 125 ? -26.833 -6.385  -9.453  1.00 13.89 ? 131 PRO   B CA  1 
ATOM   1079 C C   . PRO   A 1 125 ? -27.341 -5.165  -10.224 1.00 13.13 ? 131 PRO   B C   1 
ATOM   1080 O O   . PRO   A 1 125 ? -28.436 -5.212  -10.759 1.00 14.04 ? 131 PRO   B O   1 
ATOM   1081 C CB  . PRO   A 1 125 ? -26.409 -7.545  -10.387 1.00 14.47 ? 131 PRO   B CB  1 
ATOM   1082 C CG  . PRO   A 1 125 ? -27.534 -8.498  -10.320 1.00 16.26 ? 131 PRO   B CG  1 
ATOM   1083 C CD  . PRO   A 1 125 ? -28.173 -8.365  -8.966  1.00 14.98 ? 131 PRO   B CD  1 
ATOM   1084 N N   . CYS   A 1 126 ? -26.453 -4.198  -10.374 1.00 13.32 ? 132 CYS   B N   1 
ATOM   1085 C CA  . CYS   A 1 126 ? -26.655 -3.083  -11.333 1.00 13.92 ? 132 CYS   B CA  1 
ATOM   1086 C C   . CYS   A 1 126 ? -25.869 -3.317  -12.610 1.00 13.33 ? 132 CYS   B C   1 
ATOM   1087 O O   . CYS   A 1 126 ? -26.180 -2.733  -13.646 1.00 12.41 ? 132 CYS   B O   1 
ATOM   1088 C CB  . CYS   A 1 126 ? -26.274 -1.743  -10.739 1.00 16.92 ? 132 CYS   B CB  1 
ATOM   1089 S SG  . CYS   A 1 126 ? -27.267 -1.301  -9.280  1.00 25.18 ? 132 CYS   B SG  1 
ATOM   1090 N N   A GLN   A 1 127 ? -24.777 -4.100  -12.559 0.25 13.03 ? 133 GLN   B N   1 
ATOM   1091 N N   B GLN   A 1 127 ? -24.919 -4.252  -12.533 0.25 13.25 ? 133 GLN   B N   1 
ATOM   1092 C CA  A GLN   A 1 127 ? -24.040 -4.537  -13.783 0.25 13.36 ? 133 GLN   B CA  1 
ATOM   1093 C CA  B GLN   A 1 127 ? -24.018 -4.589  -13.655 0.25 14.10 ? 133 GLN   B CA  1 
ATOM   1094 C C   A GLN   A 1 127 ? -23.667 -6.021  -13.656 0.25 12.65 ? 133 GLN   B C   1 
ATOM   1095 C C   B GLN   A 1 127 ? -23.776 -6.100  -13.609 0.25 12.99 ? 133 GLN   B C   1 
ATOM   1096 O O   A GLN   A 1 127 ? -23.237 -6.462  -12.559 0.25 11.39 ? 133 GLN   B O   1 
ATOM   1097 O O   B GLN   A 1 127 ? -23.654 -6.673  -12.500 0.25 11.39 ? 133 GLN   B O   1 
ATOM   1098 C CB  A GLN   A 1 127 ? -22.764 -3.741  -14.096 0.25 14.72 ? 133 GLN   B CB  1 
ATOM   1099 C CB  B GLN   A 1 127 ? -22.747 -3.742  -13.576 0.25 16.44 ? 133 GLN   B CB  1 
ATOM   1100 C CG  A GLN   A 1 127 ? -22.958 -2.244  -14.316 0.25 15.89 ? 133 GLN   B CG  1 
ATOM   1101 C CG  B GLN   A 1 127 ? -22.997 -2.254  -13.776 0.25 18.10 ? 133 GLN   B CG  1 
ATOM   1102 C CD  A GLN   A 1 127 ? -22.854 -1.490  -13.015 0.25 17.82 ? 133 GLN   B CD  1 
ATOM   1103 C CD  B GLN   A 1 127 ? -21.769 -1.485  -14.195 0.25 19.86 ? 133 GLN   B CD  1 
ATOM   1104 O OE1 A GLN   A 1 127 ? -22.118 -1.884  -12.112 0.25 18.12 ? 133 GLN   B OE1 1 
ATOM   1105 O OE1 B GLN   A 1 127 ? -20.660 -2.004  -14.222 0.25 24.58 ? 133 GLN   B OE1 1 
ATOM   1106 N NE2 A GLN   A 1 127 ? -23.636 -0.424  -12.891 0.25 18.08 ? 133 GLN   B NE2 1 
ATOM   1107 N NE2 B GLN   A 1 127 ? -21.965 -0.225  -14.522 0.25 22.34 ? 133 GLN   B NE2 1 
ATOM   1108 N N   . ILE   A 1 128 ? -23.816 -6.725  -14.787 1.00 11.85 ? 134 ILE   B N   1 
ATOM   1109 C CA  . ILE   A 1 128 ? -23.620 -8.192  -14.960 1.00 12.14 ? 134 ILE   B CA  1 
ATOM   1110 C C   . ILE   A 1 128 ? -22.402 -8.352  -15.869 1.00 12.16 ? 134 ILE   B C   1 
ATOM   1111 O O   . ILE   A 1 128 ? -22.345 -7.754  -16.976 1.00 11.41 ? 134 ILE   B O   1 
ATOM   1112 C CB  . ILE   A 1 128 ? -24.859 -8.837  -15.582 1.00 12.53 ? 134 ILE   B CB  1 
ATOM   1113 C CG1 . ILE   A 1 128 ? -26.164 -8.647  -14.774 1.00 15.72 ? 134 ILE   B CG1 1 
ATOM   1114 C CG2 . ILE   A 1 128 ? -24.566 -10.323 -15.869 1.00 12.96 ? 134 ILE   B CG2 1 
ATOM   1115 C CD1 . ILE   A 1 128 ? -26.165 -9.359  -13.516 1.00 15.20 ? 134 ILE   B CD1 1 
ATOM   1116 N N   . GLY   A 1 129 ? -21.459 -9.221  -15.479 1.00 11.90 ? 135 GLY   B N   1 
ATOM   1117 C CA  . GLY   A 1 129 ? -20.373 -9.672  -16.347 1.00 11.50 ? 135 GLY   B CA  1 
ATOM   1118 C C   . GLY   A 1 129 ? -20.666 -11.042 -16.931 1.00 11.20 ? 135 GLY   B C   1 
ATOM   1119 O O   . GLY   A 1 129 ? -21.234 -11.897 -16.248 1.00 11.42 ? 135 GLY   B O   1 
ATOM   1120 N N   . ILE   A 1 130 ? -20.411 -11.187 -18.237 1.00 11.10 ? 136 ILE   B N   1 
ATOM   1121 C CA  . ILE   A 1 130 ? -20.672 -12.454 -18.986 1.00 10.74 ? 136 ILE   B CA  1 
ATOM   1122 C C   . ILE   A 1 130 ? -19.364 -12.939 -19.583 1.00 11.50 ? 136 ILE   B C   1 
ATOM   1123 O O   . ILE   A 1 130 ? -18.683 -12.192 -20.274 1.00 11.19 ? 136 ILE   B O   1 
ATOM   1124 C CB  . ILE   A 1 130 ? -21.720 -12.225 -20.091 1.00 11.35 ? 136 ILE   B CB  1 
ATOM   1125 C CG1 . ILE   A 1 130 ? -23.007 -11.706 -19.462 1.00 12.76 ? 136 ILE   B CG1 1 
ATOM   1126 C CG2 . ILE   A 1 130 ? -21.975 -13.496 -20.907 1.00 12.62 ? 136 ILE   B CG2 1 
ATOM   1127 C CD1 . ILE   A 1 130 ? -24.033 -11.312 -20.442 1.00 15.99 ? 136 ILE   B CD1 1 
ATOM   1128 N N   . PHE   A 1 131 ? -19.001 -14.159 -19.228 1.00 10.89 ? 137 PHE   B N   1 
ATOM   1129 C CA  . PHE   A 1 131 ? -17.753 -14.817 -19.681 1.00 10.54 ? 137 PHE   B CA  1 
ATOM   1130 C C   . PHE   A 1 131 ? -18.115 -16.064 -20.468 1.00 10.34 ? 137 PHE   B C   1 
ATOM   1131 O O   . PHE   A 1 131 ? -18.891 -16.902 -20.006 1.00 11.39 ? 137 PHE   B O   1 
ATOM   1132 C CB  . PHE   A 1 131 ? -16.879 -15.225 -18.498 1.00 11.73 ? 137 PHE   B CB  1 
ATOM   1133 C CG  . PHE   A 1 131 ? -15.631 -15.989 -18.860 1.00 12.98 ? 137 PHE   B CG  1 
ATOM   1134 C CD1 . PHE   A 1 131 ? -14.613 -15.362 -19.538 1.00 14.82 ? 137 PHE   B CD1 1 
ATOM   1135 C CD2 . PHE   A 1 131 ? -15.468 -17.320 -18.496 1.00 13.94 ? 137 PHE   B CD2 1 
ATOM   1136 C CE1 . PHE   A 1 131 ? -13.462 -16.071 -19.873 1.00 16.69 ? 137 PHE   B CE1 1 
ATOM   1137 C CE2 . PHE   A 1 131 ? -14.325 -18.038 -18.852 1.00 16.24 ? 137 PHE   B CE2 1 
ATOM   1138 C CZ  . PHE   A 1 131 ? -13.335 -17.389 -19.526 1.00 15.85 ? 137 PHE   B CZ  1 
ATOM   1139 N N   . VAL   A 1 132 ? -17.542 -16.185 -21.672 1.00 10.93 ? 138 VAL   B N   1 
ATOM   1140 C CA  . VAL   A 1 132 ? -17.703 -17.367 -22.556 1.00 11.29 ? 138 VAL   B CA  1 
ATOM   1141 C C   . VAL   A 1 132 ? -16.326 -17.969 -22.838 1.00 10.40 ? 138 VAL   B C   1 
ATOM   1142 O O   . VAL   A 1 132 ? -15.426 -17.268 -23.299 1.00 11.99 ? 138 VAL   B O   1 
ATOM   1143 C CB  . VAL   A 1 132 ? -18.429 -17.016 -23.859 1.00 11.36 ? 138 VAL   B CB  1 
ATOM   1144 C CG1 . VAL   A 1 132 ? -18.550 -18.270 -24.712 1.00 13.03 ? 138 VAL   B CG1 1 
ATOM   1145 C CG2 . VAL   A 1 132 ? -19.803 -16.407 -23.582 1.00 13.14 ? 138 VAL   B CG2 1 
ATOM   1146 N N   . ASP   A 1 133 ? -16.188 -19.241 -22.514 1.00 10.70 ? 139 ASP   B N   1 
ATOM   1147 C CA  . ASP   A 1 133 ? -14.990 -20.032 -22.954 1.00 12.45 ? 139 ASP   B CA  1 
ATOM   1148 C C   . ASP   A 1 133 ? -15.495 -21.054 -23.978 1.00 11.21 ? 139 ASP   B C   1 
ATOM   1149 O O   . ASP   A 1 133 ? -16.126 -22.056 -23.619 1.00 11.85 ? 139 ASP   B O   1 
ATOM   1150 C CB  . ASP   A 1 133 ? -14.272 -20.657 -21.780 1.00 12.58 ? 139 ASP   B CB  1 
ATOM   1151 C CG  . ASP   A 1 133 ? -13.004 -21.430 -22.150 1.00 14.70 ? 139 ASP   B CG  1 
ATOM   1152 O OD1 . ASP   A 1 133 ? -12.899 -21.862 -23.326 1.00 15.47 ? 139 ASP   B OD1 1 
ATOM   1153 O OD2 . ASP   A 1 133 ? -12.182 -21.561 -21.195 1.00 19.60 ? 139 ASP   B OD2 1 
ATOM   1154 N N   . TYR   A 1 134 ? -15.270 -20.754 -25.265 1.00 11.96 ? 140 TYR   B N   1 
ATOM   1155 C CA  . TYR   A 1 134 ? -15.829 -21.598 -26.337 1.00 12.24 ? 140 TYR   B CA  1 
ATOM   1156 C C   . TYR   A 1 134 ? -15.337 -23.054 -26.259 1.00 12.78 ? 140 TYR   B C   1 
ATOM   1157 O O   . TYR   A 1 134 ? -16.083 -24.000 -26.212 1.00 14.01 ? 140 TYR   B O   1 
ATOM   1158 C CB  . TYR   A 1 134 ? -15.577 -20.965 -27.725 1.00 12.12 ? 140 TYR   B CB  1 
ATOM   1159 C CG  . TYR   A 1 134 ? -16.525 -21.552 -28.755 1.00 12.42 ? 140 TYR   B CG  1 
ATOM   1160 C CD1 . TYR   A 1 134 ? -16.356 -22.836 -29.272 1.00 12.65 ? 140 TYR   B CD1 1 
ATOM   1161 C CD2 . TYR   A 1 134 ? -17.650 -20.866 -29.178 1.00 12.56 ? 140 TYR   B CD2 1 
ATOM   1162 C CE1 . TYR   A 1 134 ? -17.255 -23.408 -30.144 1.00 12.39 ? 140 TYR   B CE1 1 
ATOM   1163 C CE2 . TYR   A 1 134 ? -18.571 -21.432 -30.050 1.00 11.80 ? 140 TYR   B CE2 1 
ATOM   1164 C CZ  . TYR   A 1 134 ? -18.375 -22.702 -30.572 1.00 12.01 ? 140 TYR   B CZ  1 
ATOM   1165 O OH  . TYR   A 1 134 ? -19.264 -23.308 -31.388 1.00 12.41 ? 140 TYR   B OH  1 
ATOM   1166 N N   . GLU   A 1 135 ? -14.038 -23.173 -26.150 1.00 14.45 ? 141 GLU   B N   1 
ATOM   1167 C CA  . GLU   A 1 135 ? -13.389 -24.510 -26.180 1.00 15.27 ? 141 GLU   B CA  1 
ATOM   1168 C C   . GLU   A 1 135 ? -13.827 -25.309 -24.975 1.00 15.04 ? 141 GLU   B C   1 
ATOM   1169 O O   . GLU   A 1 135 ? -14.161 -26.510 -25.132 1.00 16.91 ? 141 GLU   B O   1 
ATOM   1170 C CB  . GLU   A 1 135 ? -11.871 -24.386 -26.260 1.00 17.54 ? 141 GLU   B CB  1 
ATOM   1171 C CG  . GLU   A 1 135 ? -11.414 -24.189 -27.717 1.00 24.06 ? 141 GLU   B CG  1 
ATOM   1172 C CD  . GLU   A 1 135 ? -11.807 -22.889 -28.307 1.00 27.59 ? 141 GLU   B CD  1 
ATOM   1173 O OE1 . GLU   A 1 135 ? -12.119 -22.872 -29.453 1.00 24.32 ? 141 GLU   B OE1 1 
ATOM   1174 O OE2 . GLU   A 1 135 ? -11.805 -21.884 -27.563 1.00 29.53 ? 141 GLU   B OE2 1 
ATOM   1175 N N   . ALA   A 1 136 ? -13.873 -24.704 -23.796 1.00 13.34 ? 142 ALA   B N   1 
ATOM   1176 C CA  . ALA   A 1 136 ? -14.248 -25.410 -22.572 1.00 14.17 ? 142 ALA   B CA  1 
ATOM   1177 C C   . ALA   A 1 136 ? -15.753 -25.703 -22.513 1.00 14.35 ? 142 ALA   B C   1 
ATOM   1178 O O   . ALA   A 1 136 ? -16.165 -26.560 -21.729 1.00 16.05 ? 142 ALA   B O   1 
ATOM   1179 C CB  . ALA   A 1 136 ? -13.817 -24.606 -21.369 1.00 16.09 ? 142 ALA   B CB  1 
ATOM   1180 N N   . GLY   A 1 137 ? -16.599 -25.032 -23.288 1.00 11.95 ? 143 GLY   B N   1 
ATOM   1181 C CA  . GLY   A 1 137 ? -18.043 -25.198 -23.176 1.00 12.12 ? 143 GLY   B CA  1 
ATOM   1182 C C   . GLY   A 1 137 ? -18.613 -24.552 -21.897 1.00 10.47 ? 143 GLY   B C   1 
ATOM   1183 O O   . GLY   A 1 137 ? -19.390 -25.239 -21.215 1.00 11.48 ? 143 GLY   B O   1 
ATOM   1184 N N   . VAL   A 1 138 ? -18.195 -23.325 -21.600 1.00 11.47 ? 144 VAL   B N   1 
ATOM   1185 C CA  . VAL   A 1 138 ? -18.593 -22.640 -20.330 1.00 11.50 ? 144 VAL   B CA  1 
ATOM   1186 C C   . VAL   A 1 138 ? -19.180 -21.288 -20.682 1.00 10.76 ? 144 VAL   B C   1 
ATOM   1187 O O   . VAL   A 1 138 ? -18.579 -20.508 -21.449 1.00 11.43 ? 144 VAL   B O   1 
ATOM   1188 C CB  . VAL   A 1 138 ? -17.350 -22.492 -19.426 1.00 12.13 ? 144 VAL   B CB  1 
ATOM   1189 C CG1 . VAL   A 1 138 ? -17.591 -21.516 -18.250 1.00 12.99 ? 144 VAL   B CG1 1 
ATOM   1190 C CG2 . VAL   A 1 138 ? -16.914 -23.871 -18.945 1.00 13.42 ? 144 VAL   B CG2 1 
ATOM   1191 N N   . VAL   A 1 139 ? -20.260 -20.971 -19.973 1.00 10.27 ? 145 VAL   B N   1 
ATOM   1192 C CA  . VAL   A 1 139 ? -20.813 -19.584 -19.915 1.00 10.29 ? 145 VAL   B CA  1 
ATOM   1193 C C   . VAL   A 1 139 ? -21.033 -19.225 -18.432 1.00 9.41  ? 145 VAL   B C   1 
ATOM   1194 O O   . VAL   A 1 139 ? -21.820 -19.939 -17.772 1.00 10.31 ? 145 VAL   B O   1 
ATOM   1195 C CB  . VAL   A 1 139 ? -22.128 -19.465 -20.697 1.00 10.24 ? 145 VAL   B CB  1 
ATOM   1196 C CG1 . VAL   A 1 139 ? -22.629 -18.015 -20.689 1.00 10.10 ? 145 VAL   B CG1 1 
ATOM   1197 C CG2 . VAL   A 1 139 ? -22.004 -19.991 -22.123 1.00 10.89 ? 145 VAL   B CG2 1 
ATOM   1198 N N   . SER   A 1 140 ? -20.381 -18.188 -17.970 1.00 9.65  ? 146 SER   B N   1 
ATOM   1199 C CA  . SER   A 1 140 ? -20.489 -17.765 -16.560 1.00 10.46 ? 146 SER   B CA  1 
ATOM   1200 C C   . SER   A 1 140 ? -20.944 -16.311 -16.460 1.00 10.17 ? 146 SER   B C   1 
ATOM   1201 O O   . SER   A 1 140 ? -20.639 -15.492 -17.304 1.00 10.81 ? 146 SER   B O   1 
ATOM   1202 C CB  . SER   A 1 140 ? -19.170 -17.949 -15.845 1.00 10.47 ? 146 SER   B CB  1 
ATOM   1203 O OG  . SER   A 1 140 ? -18.806 -19.333 -15.725 1.00 11.79 ? 146 SER   B OG  1 
ATOM   1204 N N   . PHE   A 1 141 ? -21.640 -16.039 -15.364 1.00 9.41  ? 147 PHE   B N   1 
ATOM   1205 C CA  . PHE   A 1 141 ? -22.268 -14.744 -15.056 1.00 9.85  ? 147 PHE   B CA  1 
ATOM   1206 C C   . PHE   A 1 141 ? -21.725 -14.283 -13.714 1.00 10.13 ? 147 PHE   B C   1 
ATOM   1207 O O   . PHE   A 1 141 ? -21.746 -15.080 -12.717 1.00 10.11 ? 147 PHE   B O   1 
ATOM   1208 C CB  . PHE   A 1 141 ? -23.809 -14.845 -15.039 1.00 10.00 ? 147 PHE   B CB  1 
ATOM   1209 C CG  . PHE   A 1 141 ? -24.388 -15.255 -16.367 1.00 9.55  ? 147 PHE   B CG  1 
ATOM   1210 C CD1 . PHE   A 1 141 ? -24.444 -16.592 -16.759 1.00 9.50  ? 147 PHE   B CD1 1 
ATOM   1211 C CD2 . PHE   A 1 141 ? -24.899 -14.295 -17.225 1.00 9.77  ? 147 PHE   B CD2 1 
ATOM   1212 C CE1 . PHE   A 1 141 ? -24.943 -16.931 -18.012 1.00 9.89  ? 147 PHE   B CE1 1 
ATOM   1213 C CE2 . PHE   A 1 141 ? -25.385 -14.657 -18.483 1.00 9.58  ? 147 PHE   B CE2 1 
ATOM   1214 C CZ  . PHE   A 1 141 ? -25.448 -15.975 -18.865 1.00 9.26  ? 147 PHE   B CZ  1 
ATOM   1215 N N   . TYR   A 1 142 ? -21.418 -13.001 -13.629 1.00 10.05 ? 148 TYR   B N   1 
ATOM   1216 C CA  . TYR   A 1 142 ? -20.750 -12.391 -12.451 1.00 11.57 ? 148 TYR   B CA  1 
ATOM   1217 C C   . TYR   A 1 142 ? -21.532 -11.146 -12.035 1.00 11.85 ? 148 TYR   B C   1 
ATOM   1218 O O   . TYR   A 1 142 ? -21.987 -10.337 -12.856 1.00 12.03 ? 148 TYR   B O   1 
ATOM   1219 C CB  . TYR   A 1 142 ? -19.281 -12.073 -12.720 1.00 11.68 ? 148 TYR   B CB  1 
ATOM   1220 C CG  . TYR   A 1 142 ? -18.477 -13.318 -12.983 1.00 12.17 ? 148 TYR   B CG  1 
ATOM   1221 C CD1 . TYR   A 1 142 ? -17.999 -14.125 -11.959 1.00 13.02 ? 148 TYR   B CD1 1 
ATOM   1222 C CD2 . TYR   A 1 142 ? -18.287 -13.769 -14.276 1.00 12.84 ? 148 TYR   B CD2 1 
ATOM   1223 C CE1 . TYR   A 1 142 ? -17.321 -15.306 -12.225 1.00 13.37 ? 148 TYR   B CE1 1 
ATOM   1224 C CE2 . TYR   A 1 142 ? -17.599 -14.937 -14.559 1.00 13.48 ? 148 TYR   B CE2 1 
ATOM   1225 C CZ  . TYR   A 1 142 ? -17.095 -15.709 -13.527 1.00 13.15 ? 148 TYR   B CZ  1 
ATOM   1226 O OH  . TYR   A 1 142 ? -16.447 -16.906 -13.801 1.00 15.69 ? 148 TYR   B OH  1 
ATOM   1227 N N   . ASN   A 1 143 ? -21.587 -10.916 -10.727 1.00 12.98 ? 149 ASN   B N   1 
ATOM   1228 C CA  . ASN   A 1 143 ? -22.277 -9.744  -10.101 1.00 12.39 ? 149 ASN   B CA  1 
ATOM   1229 C C   . ASN   A 1 143 ? -21.237 -8.635  -9.926  1.00 12.30 ? 149 ASN   B C   1 
ATOM   1230 O O   . ASN   A 1 143 ? -20.482 -8.660  -8.911  1.00 14.60 ? 149 ASN   B O   1 
ATOM   1231 C CB  . ASN   A 1 143 ? -22.885 -10.189 -8.782  1.00 12.42 ? 149 ASN   B CB  1 
ATOM   1232 C CG  . ASN   A 1 143 ? -23.708 -9.092  -8.107  1.00 12.60 ? 149 ASN   B CG  1 
ATOM   1233 O OD1 . ASN   A 1 143 ? -23.543 -7.918  -8.468  1.00 14.13 ? 149 ASN   B OD1 1 
ATOM   1234 N ND2 . ASN   A 1 143 ? -24.612 -9.499  -7.266  1.00 14.45 ? 149 ASN   B ND2 1 
ATOM   1235 N N   . ILE   A 1 144 ? -21.143 -7.648  -10.810 1.00 13.34 ? 150 ILE   B N   1 
ATOM   1236 C CA  . ILE   A 1 144 ? -20.069 -6.626  -10.760 1.00 14.61 ? 150 ILE   B CA  1 
ATOM   1237 C C   . ILE   A 1 144 ? -20.327 -5.729  -9.527  1.00 16.15 ? 150 ILE   B C   1 
ATOM   1238 O O   . ILE   A 1 144 ? -19.336 -5.248  -8.940  1.00 17.94 ? 150 ILE   B O   1 
ATOM   1239 C CB  . ILE   A 1 144 ? -20.056 -5.840  -12.076 1.00 15.67 ? 150 ILE   B CB  1 
ATOM   1240 C CG1 . ILE   A 1 144 ? -19.851 -6.755  -13.297 1.00 16.41 ? 150 ILE   B CG1 1 
ATOM   1241 C CG2 . ILE   A 1 144 ? -19.031 -4.721  -12.044 1.00 17.92 ? 150 ILE   B CG2 1 
ATOM   1242 C CD1 . ILE   A 1 144 ? -18.785 -7.790  -13.130 1.00 20.02 ? 150 ILE   B CD1 1 
ATOM   1243 N N   . THR   A 1 145 ? -21.574 -5.528  -9.132  1.00 15.46 ? 151 THR   B N   1 
ATOM   1244 C CA  . THR   A 1 145 ? -21.973 -4.673  -7.964  1.00 16.45 ? 151 THR   B CA  1 
ATOM   1245 C C   . THR   A 1 145 ? -21.403 -5.311  -6.703  1.00 19.86 ? 151 THR   B C   1 
ATOM   1246 O O   . THR   A 1 145 ? -20.951 -4.553  -5.811  1.00 22.84 ? 151 THR   B O   1 
ATOM   1247 C CB  . THR   A 1 145 ? -23.501 -4.545  -7.915  1.00 15.63 ? 151 THR   B CB  1 
ATOM   1248 O OG1 . THR   A 1 145 ? -23.945 -4.072  -9.186  1.00 16.37 ? 151 THR   B OG1 1 
ATOM   1249 C CG2 . THR   A 1 145 ? -23.920 -3.557  -6.844  1.00 17.42 ? 151 THR   B CG2 1 
ATOM   1250 N N   . ASP   A 1 146 ? -21.385 -6.632  -6.604  1.00 17.57 ? 152 ASP   B N   1 
ATOM   1251 C CA  . ASP   A 1 146 ? -20.850 -7.395  -5.441  1.00 18.61 ? 152 ASP   B CA  1 
ATOM   1252 C C   . ASP   A 1 146 ? -19.433 -7.929  -5.710  1.00 18.84 ? 152 ASP   B C   1 
ATOM   1253 O O   . ASP   A 1 146 ? -19.238 -9.143  -5.518  1.00 19.15 ? 152 ASP   B O   1 
ATOM   1254 C CB  . ASP   A 1 146 ? -21.860 -8.437  -5.059  1.00 18.02 ? 152 ASP   B CB  1 
ATOM   1255 C CG  . ASP   A 1 146 ? -21.496 -9.218  -3.823  1.00 21.39 ? 152 ASP   B CG  1 
ATOM   1256 O OD1 . ASP   A 1 146 ? -21.051 -8.576  -2.847  1.00 23.13 ? 152 ASP   B OD1 1 
ATOM   1257 O OD2 . ASP   A 1 146 ? -21.658 -10.439 -3.864  1.00 21.90 ? 152 ASP   B OD2 1 
ATOM   1258 N N   . HIS   A 1 147 ? -18.508 -7.078  -6.141  1.00 20.94 ? 153 HIS   B N   1 
ATOM   1259 C CA  . HIS   A 1 147 ? -17.054 -7.396  -6.231  1.00 25.05 ? 153 HIS   B CA  1 
ATOM   1260 C C   . HIS   A 1 147 ? -16.866 -8.609  -7.154  1.00 23.28 ? 153 HIS   B C   1 
ATOM   1261 O O   . HIS   A 1 147 ? -15.985 -9.428  -6.928  1.00 25.68 ? 153 HIS   B O   1 
ATOM   1262 C CB  . HIS   A 1 147 ? -16.442 -7.732  -4.861  1.00 30.45 ? 153 HIS   B CB  1 
ATOM   1263 C CG  . HIS   A 1 147 ? -16.742 -6.791  -3.736  1.00 39.90 ? 153 HIS   B CG  1 
ATOM   1264 N ND1 . HIS   A 1 147 ? -16.223 -5.506  -3.679  1.00 48.60 ? 153 HIS   B ND1 1 
ATOM   1265 C CD2 . HIS   A 1 147 ? -17.456 -6.970  -2.601  1.00 44.74 ? 153 HIS   B CD2 1 
ATOM   1266 C CE1 . HIS   A 1 147 ? -16.638 -4.918  -2.571  1.00 51.08 ? 153 HIS   B CE1 1 
ATOM   1267 N NE2 . HIS   A 1 147 ? -17.397 -5.801  -1.886  1.00 48.03 ? 153 HIS   B NE2 1 
ATOM   1268 N N   . GLY   A 1 148 ? -17.732 -8.770  -8.148  1.00 18.74 ? 154 GLY   B N   1 
ATOM   1269 C CA  . GLY   A 1 148 ? -17.510 -9.814  -9.166  1.00 16.97 ? 154 GLY   B CA  1 
ATOM   1270 C C   . GLY   A 1 148 ? -17.944 -11.191 -8.723  1.00 15.84 ? 154 GLY   B C   1 
ATOM   1271 O O   . GLY   A 1 148 ? -17.418 -12.126 -9.321  1.00 16.18 ? 154 GLY   B O   1 
ATOM   1272 N N   . SER   A 1 149 ? -18.770 -11.352 -7.717  1.00 14.32 ? 155 SER   B N   1 
ATOM   1273 C CA  . SER   A 1 149 ? -19.136 -12.681 -7.181  1.00 13.05 ? 155 SER   B CA  1 
ATOM   1274 C C   . SER   A 1 149 ? -19.816 -13.517 -8.271  1.00 13.58 ? 155 SER   B C   1 
ATOM   1275 O O   . SER   A 1 149 ? -20.626 -12.980 -9.094  1.00 13.19 ? 155 SER   B O   1 
ATOM   1276 C CB  . SER   A 1 149 ? -20.007 -12.567 -5.951  1.00 14.18 ? 155 SER   B CB  1 
ATOM   1277 O OG  . SER   A 1 149 ? -21.178 -11.791 -6.142  1.00 15.20 ? 155 SER   B OG  1 
ATOM   1278 N N   . LEU   A 1 150 ? -19.622 -14.809 -8.268  1.00 12.27 ? 156 LEU   B N   1 
ATOM   1279 C CA  . LEU   A 1 150 ? -20.285 -15.712 -9.254  1.00 11.35 ? 156 LEU   B CA  1 
ATOM   1280 C C   . LEU   A 1 150 ? -21.781 -15.759 -9.019  1.00 11.36 ? 156 LEU   B C   1 
ATOM   1281 O O   . LEU   A 1 150 ? -22.294 -15.970 -7.884  1.00 12.05 ? 156 LEU   B O   1 
ATOM   1282 C CB  . LEU   A 1 150 ? -19.684 -17.118 -9.124  1.00 11.91 ? 156 LEU   B CB  1 
ATOM   1283 C CG  . LEU   A 1 150 ? -20.261 -18.168 -10.091 1.00 11.84 ? 156 LEU   B CG  1 
ATOM   1284 C CD1 . LEU   A 1 150 ? -19.871 -17.894 -11.525 1.00 12.14 ? 156 LEU   B CD1 1 
ATOM   1285 C CD2 . LEU   A 1 150 ? -19.709 -19.563 -9.702  1.00 12.51 ? 156 LEU   B CD2 1 
ATOM   1286 N N   . ILE   A 1 151 ? -22.542 -15.614 -10.119 1.00 10.55 ? 157 ILE   B N   1 
ATOM   1287 C CA  . ILE   A 1 151 ? -23.986 -15.829 -10.144 1.00 10.97 ? 157 ILE   B CA  1 
ATOM   1288 C C   . ILE   A 1 151 ? -24.345 -17.235 -10.611 1.00 9.96  ? 157 ILE   B C   1 
ATOM   1289 O O   . ILE   A 1 151 ? -25.138 -17.950 -10.029 1.00 10.37 ? 157 ILE   B O   1 
ATOM   1290 C CB  . ILE   A 1 151 ? -24.654 -14.749 -11.031 1.00 11.20 ? 157 ILE   B CB  1 
ATOM   1291 C CG1 . ILE   A 1 151 ? -24.479 -13.357 -10.436 1.00 11.59 ? 157 ILE   B CG1 1 
ATOM   1292 C CG2 . ILE   A 1 151 ? -26.126 -15.087 -11.237 1.00 11.46 ? 157 ILE   B CG2 1 
ATOM   1293 C CD1 . ILE   A 1 151 ? -24.937 -12.234 -11.362 1.00 12.32 ? 157 ILE   B CD1 1 
ATOM   1294 N N   . TYR   A 1 152 ? -23.764 -17.663 -11.750 1.00 10.22 ? 158 TYR   B N   1 
ATOM   1295 C CA  . TYR   A 1 152 ? -24.163 -18.961 -12.338 1.00 9.51  ? 158 TYR   B CA  1 
ATOM   1296 C C   . TYR   A 1 152 ? -23.116 -19.368 -13.375 1.00 9.49  ? 158 TYR   B C   1 
ATOM   1297 O O   . TYR   A 1 152 ? -22.620 -18.499 -14.114 1.00 9.86  ? 158 TYR   B O   1 
ATOM   1298 C CB  . TYR   A 1 152 ? -25.532 -18.876 -13.082 1.00 9.86  ? 158 TYR   B CB  1 
ATOM   1299 C CG  . TYR   A 1 152 ? -26.080 -20.232 -13.415 1.00 9.97  ? 158 TYR   B CG  1 
ATOM   1300 C CD1 . TYR   A 1 152 ? -26.716 -21.037 -12.458 1.00 10.59 ? 158 TYR   B CD1 1 
ATOM   1301 C CD2 . TYR   A 1 152 ? -25.957 -20.756 -14.705 1.00 10.03 ? 158 TYR   B CD2 1 
ATOM   1302 C CE1 . TYR   A 1 152 ? -27.158 -22.304 -12.776 1.00 11.37 ? 158 TYR   B CE1 1 
ATOM   1303 C CE2 . TYR   A 1 152 ? -26.387 -22.022 -15.008 1.00 10.36 ? 158 TYR   B CE2 1 
ATOM   1304 C CZ  . TYR   A 1 152 ? -26.981 -22.800 -14.049 1.00 11.00 ? 158 TYR   B CZ  1 
ATOM   1305 O OH  . TYR   A 1 152 ? -27.389 -24.083 -14.312 1.00 13.09 ? 158 TYR   B OH  1 
ATOM   1306 N N   . THR   A 1 153 ? -22.834 -20.672 -13.473 1.00 9.61  ? 159 THR   B N   1 
ATOM   1307 C CA  . THR   A 1 153 ? -22.003 -21.282 -14.543 1.00 10.15 ? 159 THR   B CA  1 
ATOM   1308 C C   . THR   A 1 153 ? -22.778 -22.374 -15.233 1.00 9.95  ? 159 THR   B C   1 
ATOM   1309 O O   . THR   A 1 153 ? -23.164 -23.363 -14.620 1.00 10.85 ? 159 THR   B O   1 
ATOM   1310 C CB  . THR   A 1 153 ? -20.673 -21.831 -13.989 1.00 10.83 ? 159 THR   B CB  1 
ATOM   1311 O OG1 . THR   A 1 153 ? -19.889 -20.716 -13.580 1.00 10.75 ? 159 THR   B OG1 1 
ATOM   1312 C CG2 . THR   A 1 153 ? -19.927 -22.643 -15.038 1.00 11.64 ? 159 THR   B CG2 1 
ATOM   1313 N N   . PHE   A 1 154 ? -22.987 -22.210 -16.556 1.00 10.21 ? 160 PHE   B N   1 
ATOM   1314 C CA  . PHE   A 1 154 ? -23.373 -23.322 -17.451 1.00 10.05 ? 160 PHE   B CA  1 
ATOM   1315 C C   . PHE   A 1 154 ? -22.070 -23.998 -17.902 1.00 10.46 ? 160 PHE   B C   1 
ATOM   1316 O O   . PHE   A 1 154 ? -21.199 -23.358 -18.459 1.00 10.65 ? 160 PHE   B O   1 
ATOM   1317 C CB  . PHE   A 1 154 ? -24.050 -22.836 -18.722 1.00 10.21 ? 160 PHE   B CB  1 
ATOM   1318 C CG  . PHE   A 1 154 ? -25.410 -22.198 -18.565 1.00 8.99  ? 160 PHE   B CG  1 
ATOM   1319 C CD1 . PHE   A 1 154 ? -25.585 -20.837 -18.309 1.00 9.06  ? 160 PHE   B CD1 1 
ATOM   1320 C CD2 . PHE   A 1 154 ? -26.538 -22.952 -18.764 1.00 9.29  ? 160 PHE   B CD2 1 
ATOM   1321 C CE1 . PHE   A 1 154 ? -26.860 -20.299 -18.226 1.00 9.44  ? 160 PHE   B CE1 1 
ATOM   1322 C CE2 . PHE   A 1 154 ? -27.814 -22.401 -18.678 1.00 9.45  ? 160 PHE   B CE2 1 
ATOM   1323 C CZ  . PHE   A 1 154 ? -27.957 -21.060 -18.427 1.00 8.52  ? 160 PHE   B CZ  1 
ATOM   1324 N N   . SER   A 1 155 ? -21.975 -25.289 -17.590 1.00 11.73 ? 161 SER   B N   1 
ATOM   1325 C CA  . SER   A 1 155 ? -20.830 -26.081 -18.068 1.00 13.05 ? 161 SER   B CA  1 
ATOM   1326 C C   . SER   A 1 155 ? -21.350 -27.219 -18.925 1.00 12.65 ? 161 SER   B C   1 
ATOM   1327 O O   . SER   A 1 155 ? -22.540 -27.493 -19.023 1.00 14.36 ? 161 SER   B O   1 
ATOM   1328 C CB  . SER   A 1 155 ? -19.999 -26.518 -16.887 1.00 14.77 ? 161 SER   B CB  1 
ATOM   1329 O OG  . SER   A 1 155 ? -20.639 -27.488 -16.118 1.00 18.63 ? 161 SER   B OG  1 
ATOM   1330 N N   . GLU   A 1 156 ? -20.404 -27.888 -19.607 1.00 14.85 ? 162 GLU   B N   1 
ATOM   1331 C CA  . GLU   A 1 156 ? -20.780 -28.970 -20.569 1.00 16.03 ? 162 GLU   B CA  1 
ATOM   1332 C C   . GLU   A 1 156 ? -21.726 -28.413 -21.640 1.00 14.44 ? 162 GLU   B C   1 
ATOM   1333 O O   . GLU   A 1 156 ? -22.660 -29.134 -22.123 1.00 16.11 ? 162 GLU   B O   1 
ATOM   1334 C CB  . GLU   A 1 156 ? -21.444 -30.162 -19.877 1.00 19.03 ? 162 GLU   B CB  1 
ATOM   1335 C CG  . GLU   A 1 156 ? -20.753 -30.658 -18.629 1.00 24.66 ? 162 GLU   B CG  1 
ATOM   1336 C CD  . GLU   A 1 156 ? -21.411 -31.961 -18.232 1.00 35.58 ? 162 GLU   B CD  1 
ATOM   1337 O OE1 . GLU   A 1 156 ? -22.396 -31.926 -17.464 1.00 40.96 ? 162 GLU   B OE1 1 
ATOM   1338 O OE2 . GLU   A 1 156 ? -21.043 -32.992 -18.825 1.00 39.78 ? 162 GLU   B OE2 1 
ATOM   1339 N N   . CYS   A 1 157 ? -21.475 -27.159 -22.037 1.00 13.46 ? 163 CYS   B N   1 
ATOM   1340 C CA  . CYS   A 1 157 ? -22.343 -26.524 -23.042 1.00 12.16 ? 163 CYS   B CA  1 
ATOM   1341 C C   . CYS   A 1 157 ? -22.091 -27.159 -24.420 1.00 13.22 ? 163 CYS   B C   1 
ATOM   1342 O O   . CYS   A 1 157 ? -20.893 -27.389 -24.744 1.00 14.90 ? 163 CYS   B O   1 
ATOM   1343 C CB  . CYS   A 1 157 ? -22.154 -25.019 -23.179 1.00 12.09 ? 163 CYS   B CB  1 
ATOM   1344 S SG  . CYS   A 1 157 ? -22.543 -24.076 -21.681 1.00 12.25 ? 163 CYS   B SG  1 
ATOM   1345 N N   . VAL   A 1 158 ? -23.145 -27.371 -25.161 1.00 12.73 ? 164 VAL   B N   1 
ATOM   1346 C CA  . VAL   A 1 158 ? -23.015 -27.898 -26.547 1.00 14.21 ? 164 VAL   B CA  1 
ATOM   1347 C C   . VAL   A 1 158 ? -23.450 -26.744 -27.450 1.00 12.63 ? 164 VAL   B C   1 
ATOM   1348 O O   . VAL   A 1 158 ? -24.620 -26.658 -27.824 1.00 15.22 ? 164 VAL   B O   1 
ATOM   1349 C CB  . VAL   A 1 158 ? -23.776 -29.253 -26.688 1.00 16.96 ? 164 VAL   B CB  1 
ATOM   1350 C CG1 . VAL   A 1 158 ? -23.656 -29.743 -28.143 1.00 17.16 ? 164 VAL   B CG1 1 
ATOM   1351 C CG2 . VAL   A 1 158 ? -23.253 -30.297 -25.699 1.00 18.82 ? 164 VAL   B CG2 1 
ATOM   1352 N N   . PHE   A 1 159 ? -22.550 -25.823 -27.786 1.00 11.91 ? 165 PHE   B N   1 
ATOM   1353 C CA  . PHE   A 1 159 ? -22.867 -24.583 -28.530 1.00 12.33 ? 165 PHE   B CA  1 
ATOM   1354 C C   . PHE   A 1 159 ? -23.451 -24.954 -29.899 1.00 14.29 ? 165 PHE   B C   1 
ATOM   1355 O O   . PHE   A 1 159 ? -24.436 -24.349 -30.348 1.00 14.95 ? 165 PHE   B O   1 
ATOM   1356 C CB  . PHE   A 1 159 ? -21.677 -23.652 -28.539 1.00 12.23 ? 165 PHE   B CB  1 
ATOM   1357 C CG  . PHE   A 1 159 ? -21.250 -23.157 -27.173 1.00 11.04 ? 165 PHE   B CG  1 
ATOM   1358 C CD1 . PHE   A 1 159 ? -22.199 -22.654 -26.271 1.00 11.41 ? 165 PHE   B CD1 1 
ATOM   1359 C CD2 . PHE   A 1 159 ? -19.915 -23.172 -26.792 1.00 13.05 ? 165 PHE   B CD2 1 
ATOM   1360 C CE1 . PHE   A 1 159 ? -21.793 -22.174 -25.020 1.00 11.53 ? 165 PHE   B CE1 1 
ATOM   1361 C CE2 . PHE   A 1 159 ? -19.514 -22.696 -25.551 1.00 12.43 ? 165 PHE   B CE2 1 
ATOM   1362 C CZ  . PHE   A 1 159 ? -20.459 -22.174 -24.679 1.00 11.49 ? 165 PHE   B CZ  1 
ATOM   1363 N N   . ALA   A 1 160 ? -22.765 -25.833 -30.631 1.00 13.11 ? 166 ALA   B N   1 
ATOM   1364 C CA  . ALA   A 1 160 ? -23.230 -26.428 -31.901 1.00 13.54 ? 166 ALA   B CA  1 
ATOM   1365 C C   . ALA   A 1 160 ? -23.342 -25.352 -32.981 1.00 13.29 ? 166 ALA   B C   1 
ATOM   1366 O O   . ALA   A 1 160 ? -24.163 -25.553 -33.945 1.00 14.46 ? 166 ALA   B O   1 
ATOM   1367 C CB  . ALA   A 1 160 ? -24.483 -27.196 -31.718 1.00 14.29 ? 166 ALA   B CB  1 
ATOM   1368 N N   . GLY   A 1 161 ? -22.546 -24.309 -32.916 1.00 13.64 ? 167 GLY   B N   1 
ATOM   1369 C CA  . GLY   A 1 161 ? -22.568 -23.221 -33.901 1.00 14.93 ? 167 GLY   B CA  1 
ATOM   1370 C C   . GLY   A 1 161 ? -21.882 -21.980 -33.396 1.00 12.84 ? 167 GLY   B C   1 
ATOM   1371 O O   . GLY   A 1 161 ? -21.462 -21.915 -32.208 1.00 13.10 ? 167 GLY   B O   1 
ATOM   1372 N N   . PRO   A 1 162 ? -21.769 -20.957 -34.218 1.00 11.97 ? 168 PRO   B N   1 
ATOM   1373 C CA  . PRO   A 1 162 ? -21.307 -19.653 -33.780 1.00 11.49 ? 168 PRO   B CA  1 
ATOM   1374 C C   . PRO   A 1 162 ? -22.251 -19.097 -32.696 1.00 11.50 ? 168 PRO   B C   1 
ATOM   1375 O O   . PRO   A 1 162 ? -23.454 -19.344 -32.765 1.00 12.27 ? 168 PRO   B O   1 
ATOM   1376 C CB  . PRO   A 1 162 ? -21.320 -18.745 -35.018 1.00 12.35 ? 168 PRO   B CB  1 
ATOM   1377 C CG  . PRO   A 1 162 ? -21.440 -19.784 -36.172 1.00 12.32 ? 168 PRO   B CG  1 
ATOM   1378 C CD  . PRO   A 1 162 ? -22.194 -20.942 -35.626 1.00 11.82 ? 168 PRO   B CD  1 
ATOM   1379 N N   . LEU   A 1 163 ? -21.657 -18.352 -31.782 1.00 11.40 ? 169 LEU   B N   1 
ATOM   1380 C CA  . LEU   A 1 163 ? -22.437 -17.705 -30.671 1.00 10.44 ? 169 LEU   B CA  1 
ATOM   1381 C C   . LEU   A 1 163 ? -22.545 -16.207 -30.923 1.00 11.01 ? 169 LEU   B C   1 
ATOM   1382 O O   . LEU   A 1 163 ? -21.592 -15.574 -31.372 1.00 12.36 ? 169 LEU   B O   1 
ATOM   1383 C CB  . LEU   A 1 163 ? -21.742 -17.939 -29.329 1.00 11.80 ? 169 LEU   B CB  1 
ATOM   1384 C CG  . LEU   A 1 163 ? -21.778 -19.368 -28.798 1.00 13.01 ? 169 LEU   B CG  1 
ATOM   1385 C CD1 . LEU   A 1 163 ? -20.931 -19.436 -27.538 1.00 12.83 ? 169 LEU   B CD1 1 
ATOM   1386 C CD2 . LEU   A 1 163 ? -23.202 -19.866 -28.542 1.00 13.43 ? 169 LEU   B CD2 1 
ATOM   1387 N N   . ARG   A 1 164 ? -23.682 -15.640 -30.508 1.00 11.14 ? 170 ARG   B N   1 
ATOM   1388 C CA  . ARG   A 1 164 ? -23.907 -14.186 -30.498 1.00 11.06 ? 170 ARG   B CA  1 
ATOM   1389 C C   . ARG   A 1 164 ? -24.333 -13.695 -29.113 1.00 9.73  ? 170 ARG   B C   1 
ATOM   1390 O O   . ARG   A 1 164 ? -25.093 -14.385 -28.439 1.00 10.03 ? 170 ARG   B O   1 
ATOM   1391 C CB  . ARG   A 1 164 ? -24.966 -13.819 -31.535 1.00 12.49 ? 170 ARG   B CB  1 
ATOM   1392 C CG  . ARG   A 1 164 ? -24.462 -14.175 -32.942 1.00 15.60 ? 170 ARG   B CG  1 
ATOM   1393 C CD  . ARG   A 1 164 ? -25.361 -13.815 -34.077 1.00 17.13 ? 170 ARG   B CD  1 
ATOM   1394 N NE  . ARG   A 1 164 ? -25.371 -12.372 -34.185 1.00 16.49 ? 170 ARG   B NE  1 
ATOM   1395 C CZ  . ARG   A 1 164 ? -26.098 -11.758 -35.093 1.00 16.72 ? 170 ARG   B CZ  1 
ATOM   1396 N NH1 . ARG   A 1 164 ? -26.694 -12.474 -36.019 1.00 17.13 ? 170 ARG   B NH1 1 
ATOM   1397 N NH2 . ARG   A 1 164 ? -26.127 -10.447 -35.101 1.00 14.97 ? 170 ARG   B NH2 1 
ATOM   1398 N N   . PRO   A 1 165 ? -23.865 -12.513 -28.688 1.00 9.31  ? 171 PRO   B N   1 
ATOM   1399 C CA  . PRO   A 1 165 ? -24.421 -11.904 -27.465 1.00 9.20  ? 171 PRO   B CA  1 
ATOM   1400 C C   . PRO   A 1 165 ? -25.931 -11.748 -27.613 1.00 8.71  ? 171 PRO   B C   1 
ATOM   1401 O O   . PRO   A 1 165 ? -26.416 -11.413 -28.677 1.00 10.00 ? 171 PRO   B O   1 
ATOM   1402 C CB  . PRO   A 1 165 ? -23.714 -10.558 -27.355 1.00 9.87  ? 171 PRO   B CB  1 
ATOM   1403 C CG  . PRO   A 1 165 ? -22.419 -10.758 -28.182 1.00 10.82 ? 171 PRO   B CG  1 
ATOM   1404 C CD  . PRO   A 1 165 ? -22.853 -11.657 -29.313 1.00 11.12 ? 171 PRO   B CD  1 
ATOM   1405 N N   . PHE   A 1 166 ? -26.654 -12.027 -26.536 1.00 8.99  ? 172 PHE   B N   1 
ATOM   1406 C CA  . PHE   A 1 166 ? -28.131 -12.048 -26.521 1.00 9.49  ? 172 PHE   B CA  1 
ATOM   1407 C C   . PHE   A 1 166 ? -28.670 -11.119 -25.418 1.00 8.51  ? 172 PHE   B C   1 
ATOM   1408 O O   . PHE   A 1 166 ? -28.165 -11.113 -24.279 1.00 8.58  ? 172 PHE   B O   1 
ATOM   1409 C CB  . PHE   A 1 166 ? -28.615 -13.473 -26.269 1.00 9.87  ? 172 PHE   B CB  1 
ATOM   1410 C CG  . PHE   A 1 166 ? -30.118 -13.559 -26.084 1.00 9.84  ? 172 PHE   B CG  1 
ATOM   1411 C CD1 . PHE   A 1 166 ? -30.969 -13.530 -27.185 1.00 10.60 ? 172 PHE   B CD1 1 
ATOM   1412 C CD2 . PHE   A 1 166 ? -30.711 -13.620 -24.833 1.00 10.64 ? 172 PHE   B CD2 1 
ATOM   1413 C CE1 . PHE   A 1 166 ? -32.348 -13.633 -27.027 1.00 10.71 ? 172 PHE   B CE1 1 
ATOM   1414 C CE2 . PHE   A 1 166 ? -32.084 -13.617 -24.679 1.00 10.40 ? 172 PHE   B CE2 1 
ATOM   1415 C CZ  . PHE   A 1 166 ? -32.903 -13.659 -25.783 1.00 11.13 ? 172 PHE   B CZ  1 
ATOM   1416 N N   . PHE   A 1 167 ? -29.739 -10.367 -25.760 1.00 8.80  ? 173 PHE   B N   1 
ATOM   1417 C CA  . PHE   A 1 167 ? -30.335 -9.342  -24.875 1.00 8.95  ? 173 PHE   B CA  1 
ATOM   1418 C C   . PHE   A 1 167 ? -31.851 -9.407  -25.003 1.00 9.54  ? 173 PHE   B C   1 
ATOM   1419 O O   . PHE   A 1 167 ? -32.377 -9.464  -26.112 1.00 9.55  ? 173 PHE   B O   1 
ATOM   1420 C CB  . PHE   A 1 167 ? -29.881 -7.928  -25.256 1.00 9.70  ? 173 PHE   B CB  1 
ATOM   1421 C CG  . PHE   A 1 167 ? -28.379 -7.774  -25.365 1.00 9.22  ? 173 PHE   B CG  1 
ATOM   1422 C CD1 . PHE   A 1 167 ? -27.721 -8.075  -26.547 1.00 9.48  ? 173 PHE   B CD1 1 
ATOM   1423 C CD2 . PHE   A 1 167 ? -27.607 -7.325  -24.303 1.00 11.02 ? 173 PHE   B CD2 1 
ATOM   1424 C CE1 . PHE   A 1 167 ? -26.340 -8.012  -26.643 1.00 9.47  ? 173 PHE   B CE1 1 
ATOM   1425 C CE2 . PHE   A 1 167 ? -26.239 -7.188  -24.413 1.00 11.37 ? 173 PHE   B CE2 1 
ATOM   1426 C CZ  . PHE   A 1 167 ? -25.608 -7.522  -25.593 1.00 11.13 ? 173 PHE   B CZ  1 
ATOM   1427 N N   . ASN   A 1 168 ? -32.534 -9.223  -23.883 1.00 9.48  ? 174 ASN   B N   1 
ATOM   1428 C CA  . ASN   A 1 168 ? -33.993 -8.967  -23.843 1.00 9.32  ? 174 ASN   B CA  1 
ATOM   1429 C C   . ASN   A 1 168 ? -34.213 -7.841  -22.852 1.00 8.91  ? 174 ASN   B C   1 
ATOM   1430 O O   . ASN   A 1 168 ? -33.879 -7.993  -21.670 1.00 9.65  ? 174 ASN   B O   1 
ATOM   1431 C CB  . ASN   A 1 168 ? -34.777 -10.216 -23.434 1.00 9.55  ? 174 ASN   B CB  1 
ATOM   1432 C CG  . ASN   A 1 168 ? -36.274 -10.026 -23.516 1.00 10.73 ? 174 ASN   B CG  1 
ATOM   1433 O OD1 . ASN   A 1 168 ? -36.784 -8.959  -23.826 1.00 11.47 ? 174 ASN   B OD1 1 
ATOM   1434 N ND2 . ASN   A 1 168 ? -37.014 -11.082 -23.273 1.00 12.53 ? 174 ASN   B ND2 1 
ATOM   1435 N N   . VAL   A 1 169 ? -34.735 -6.691  -23.318 1.00 9.03  ? 175 VAL   B N   1 
ATOM   1436 C CA  . VAL   A 1 169 ? -35.010 -5.531  -22.424 1.00 9.55  ? 175 VAL   B CA  1 
ATOM   1437 C C   . VAL   A 1 169 ? -36.268 -5.772  -21.587 1.00 9.50  ? 175 VAL   B C   1 
ATOM   1438 O O   . VAL   A 1 169 ? -36.500 -4.957  -20.657 1.00 10.47 ? 175 VAL   B O   1 
ATOM   1439 C CB  . VAL   A 1 169 ? -35.096 -4.181  -23.164 1.00 10.41 ? 175 VAL   B CB  1 
ATOM   1440 C CG1 . VAL   A 1 169 ? -33.817 -3.836  -23.883 1.00 11.45 ? 175 VAL   B CG1 1 
ATOM   1441 C CG2 . VAL   A 1 169 ? -36.269 -4.157  -24.136 1.00 10.46 ? 175 VAL   B CG2 1 
ATOM   1442 N N   . GLY   A 1 170 ? -37.069 -6.789  -21.929 1.00 10.08 ? 176 GLY   B N   1 
ATOM   1443 C CA  . GLY   A 1 170 ? -38.362 -7.060  -21.246 1.00 10.45 ? 176 GLY   B CA  1 
ATOM   1444 C C   . GLY   A 1 170 ? -39.459 -6.098  -21.637 1.00 10.87 ? 176 GLY   B C   1 
ATOM   1445 O O   . GLY   A 1 170 ? -39.241 -5.050  -22.241 1.00 10.81 ? 176 GLY   B O   1 
ATOM   1446 N N   . PHE   A 1 171 ? -40.679 -6.568  -21.396 1.00 11.92 ? 177 PHE   B N   1 
ATOM   1447 C CA  . PHE   A 1 171 ? -41.871 -5.726  -21.601 1.00 11.28 ? 177 PHE   B CA  1 
ATOM   1448 C C   . PHE   A 1 171 ? -41.933 -4.641  -20.546 1.00 10.94 ? 177 PHE   B C   1 
ATOM   1449 O O   . PHE   A 1 171 ? -41.213 -4.687  -19.544 1.00 10.75 ? 177 PHE   B O   1 
ATOM   1450 C CB  . PHE   A 1 171 ? -43.160 -6.561  -21.672 1.00 12.62 ? 177 PHE   B CB  1 
ATOM   1451 C CG  . PHE   A 1 171 ? -43.256 -7.477  -22.867 1.00 13.58 ? 177 PHE   B CG  1 
ATOM   1452 C CD1 . PHE   A 1 171 ? -43.613 -6.985  -24.110 1.00 17.41 ? 177 PHE   B CD1 1 
ATOM   1453 C CD2 . PHE   A 1 171 ? -42.985 -8.821  -22.729 1.00 15.21 ? 177 PHE   B CD2 1 
ATOM   1454 C CE1 . PHE   A 1 171 ? -43.670 -7.839  -25.212 1.00 17.33 ? 177 PHE   B CE1 1 
ATOM   1455 C CE2 . PHE   A 1 171 ? -43.066 -9.664  -23.838 1.00 16.52 ? 177 PHE   B CE2 1 
ATOM   1456 C CZ  . PHE   A 1 171 ? -43.453 -9.171  -25.033 1.00 16.88 ? 177 PHE   B CZ  1 
ATOM   1457 N N   . ASN   A 1 172 ? -42.797 -3.680  -20.798 1.00 11.39 ? 178 ASN   B N   1 
ATOM   1458 C CA  . ASN   A 1 172 ? -42.985 -2.574  -19.831 1.00 10.32 ? 178 ASN   B CA  1 
ATOM   1459 C C   . ASN   A 1 172 ? -44.498 -2.412  -19.627 1.00 10.71 ? 178 ASN   B C   1 
ATOM   1460 O O   . ASN   A 1 172 ? -45.018 -1.272  -19.661 1.00 12.75 ? 178 ASN   B O   1 
ATOM   1461 C CB  . ASN   A 1 172 ? -42.345 -1.290  -20.299 1.00 11.08 ? 178 ASN   B CB  1 
ATOM   1462 C CG  . ASN   A 1 172 ? -42.374 -0.192  -19.270 1.00 11.66 ? 178 ASN   B CG  1 
ATOM   1463 O OD1 . ASN   A 1 172 ? -42.407 -0.433  -18.067 1.00 11.61 ? 178 ASN   B OD1 1 
ATOM   1464 N ND2 . ASN   A 1 172 ? -42.352 1.040   -19.754 1.00 13.11 ? 178 ASN   B ND2 1 
ATOM   1465 N N   . TYR   A 1 173 ? -45.184 -3.470  -19.276 1.00 11.44 ? 179 TYR   B N   1 
ATOM   1466 C CA  . TYR   A 1 173 ? -46.614 -3.394  -18.866 1.00 10.84 ? 179 TYR   B CA  1 
ATOM   1467 C C   . TYR   A 1 173 ? -46.768 -2.601  -17.573 1.00 11.70 ? 179 TYR   B C   1 
ATOM   1468 O O   . TYR   A 1 173 ? -47.840 -1.949  -17.362 1.00 12.79 ? 179 TYR   B O   1 
ATOM   1469 C CB  . TYR   A 1 173 ? -47.209 -4.795  -18.663 1.00 11.94 ? 179 TYR   B CB  1 
ATOM   1470 C CG  . TYR   A 1 173 ? -47.292 -5.665  -19.889 1.00 13.75 ? 179 TYR   B CG  1 
ATOM   1471 C CD1 . TYR   A 1 173 ? -48.262 -5.459  -20.858 1.00 17.63 ? 179 TYR   B CD1 1 
ATOM   1472 C CD2 . TYR   A 1 173 ? -46.422 -6.728  -20.048 1.00 15.31 ? 179 TYR   B CD2 1 
ATOM   1473 C CE1 . TYR   A 1 173 ? -48.284 -6.227  -22.018 1.00 18.53 ? 179 TYR   B CE1 1 
ATOM   1474 C CE2 . TYR   A 1 173 ? -46.464 -7.521  -21.199 1.00 16.33 ? 179 TYR   B CE2 1 
ATOM   1475 C CZ  . TYR   A 1 173 ? -47.386 -7.258  -22.170 1.00 18.06 ? 179 TYR   B CZ  1 
ATOM   1476 O OH  . TYR   A 1 173 ? -47.469 -8.066  -23.288 1.00 23.94 ? 179 TYR   B OH  1 
ATOM   1477 N N   . SER   A 1 174 ? -45.810 -2.611  -16.650 1.00 10.85 ? 180 SER   B N   1 
ATOM   1478 C CA  . SER   A 1 174 ? -45.905 -2.028  -15.292 1.00 12.23 ? 180 SER   B CA  1 
ATOM   1479 C C   . SER   A 1 174 ? -45.632 -0.523  -15.343 1.00 12.05 ? 180 SER   B C   1 
ATOM   1480 O O   . SER   A 1 174 ? -45.946 0.154   -14.343 1.00 13.61 ? 180 SER   B O   1 
ATOM   1481 C CB  . SER   A 1 174 ? -44.928 -2.642  -14.344 1.00 12.09 ? 180 SER   B CB  1 
ATOM   1482 O OG  . SER   A 1 174 ? -43.597 -2.349  -14.813 1.00 12.26 ? 180 SER   B OG  1 
ATOM   1483 N N   . GLY   A 1 175 ? -45.007 0.008   -16.387 1.00 10.93 ? 181 GLY   B N   1 
ATOM   1484 C CA  . GLY   A 1 175 ? -44.466 1.380   -16.352 1.00 11.81 ? 181 GLY   B CA  1 
ATOM   1485 C C   . GLY   A 1 175 ? -43.226 1.540   -15.502 1.00 12.64 ? 181 GLY   B C   1 
ATOM   1486 O O   . GLY   A 1 175 ? -42.730 2.658   -15.381 1.00 14.18 ? 181 GLY   B O   1 
ATOM   1487 N N   . GLY   A 1 176 ? -42.661 0.454   -14.953 1.00 11.08 ? 182 GLY   B N   1 
ATOM   1488 C CA  . GLY   A 1 176 ? -41.445 0.486   -14.132 1.00 11.30 ? 182 GLY   B CA  1 
ATOM   1489 C C   . GLY   A 1 176 ? -40.231 -0.150  -14.821 1.00 11.84 ? 182 GLY   B C   1 
ATOM   1490 O O   . GLY   A 1 176 ? -39.179 -0.219  -14.145 1.00 13.73 ? 182 GLY   B O   1 
ATOM   1491 N N   . ASN   A 1 177 ? -40.342 -0.549  -16.073 1.00 10.42 ? 183 ASN   B N   1 
ATOM   1492 C CA  . ASN   A 1 177 ? -39.256 -1.273  -16.767 1.00 10.23 ? 183 ASN   B CA  1 
ATOM   1493 C C   . ASN   A 1 177 ? -38.806 -0.566  -18.045 1.00 10.34 ? 183 ASN   B C   1 
ATOM   1494 O O   . ASN   A 1 177 ? -38.269 -1.236  -18.922 1.00 11.48 ? 183 ASN   B O   1 
ATOM   1495 C CB  . ASN   A 1 177 ? -39.658 -2.720  -17.060 1.00 10.29 ? 183 ASN   B CB  1 
ATOM   1496 C CG  . ASN   A 1 177 ? -38.444 -3.604  -17.336 1.00 10.37 ? 183 ASN   B CG  1 
ATOM   1497 O OD1 . ASN   A 1 177 ? -37.388 -3.390  -16.748 1.00 10.60 ? 183 ASN   B OD1 1 
ATOM   1498 N ND2 . ASN   A 1 177 ? -38.598 -4.498  -18.293 1.00 10.33 ? 183 ASN   B ND2 1 
ATOM   1499 N N   . ALA   A 1 178 ? -38.913 0.757   -18.136 1.00 11.19 ? 184 ALA   B N   1 
ATOM   1500 C CA  . ALA   A 1 178 ? -38.530 1.486   -19.367 1.00 12.05 ? 184 ALA   B CA  1 
ATOM   1501 C C   . ALA   A 1 178 ? -37.018 1.624   -19.513 1.00 12.06 ? 184 ALA   B C   1 
ATOM   1502 O O   . ALA   A 1 178 ? -36.565 1.898   -20.631 1.00 13.82 ? 184 ALA   B O   1 
ATOM   1503 C CB  . ALA   A 1 178 ? -39.141 2.900   -19.358 1.00 12.90 ? 184 ALA   B CB  1 
ATOM   1504 N N   . ALA   A 1 179 ? -36.270 1.475   -18.436 1.00 11.54 ? 185 ALA   B N   1 
ATOM   1505 C CA  . ALA   A 1 179 ? -34.810 1.773   -18.494 1.00 11.83 ? 185 ALA   B CA  1 
ATOM   1506 C C   . ALA   A 1 179 ? -34.102 0.874   -19.526 1.00 11.41 ? 185 ALA   B C   1 
ATOM   1507 O O   . ALA   A 1 179 ? -34.479 -0.284  -19.784 1.00 11.31 ? 185 ALA   B O   1 
ATOM   1508 C CB  . ALA   A 1 179 ? -34.176 1.620   -17.139 1.00 12.27 ? 185 ALA   B CB  1 
ATOM   1509 N N   . PRO   A 1 180 ? -33.010 1.377   -20.122 1.00 11.20 ? 186 PRO   B N   1 
ATOM   1510 C CA  . PRO   A 1 180 ? -32.265 0.604   -21.123 1.00 11.12 ? 186 PRO   B CA  1 
ATOM   1511 C C   . PRO   A 1 180 ? -31.346 -0.483  -20.525 1.00 10.12 ? 186 PRO   B C   1 
ATOM   1512 O O   . PRO   A 1 180 ? -31.002 -0.434  -19.355 1.00 11.10 ? 186 PRO   B O   1 
ATOM   1513 C CB  . PRO   A 1 180 ? -31.381 1.698   -21.777 1.00 12.51 ? 186 PRO   B CB  1 
ATOM   1514 C CG  . PRO   A 1 180 ? -31.116 2.662   -20.660 1.00 14.65 ? 186 PRO   B CG  1 
ATOM   1515 C CD  . PRO   A 1 180 ? -32.475 2.746   -19.951 1.00 13.72 ? 186 PRO   B CD  1 
ATOM   1516 N N   . LEU   A 1 181 ? -30.965 -1.426  -21.382 1.00 10.52 ? 187 LEU   B N   1 
ATOM   1517 C CA  . LEU   A 1 181 ? -29.723 -2.209  -21.206 1.00 10.64 ? 187 LEU   B CA  1 
ATOM   1518 C C   . LEU   A 1 181 ? -28.593 -1.417  -21.838 1.00 10.66 ? 187 LEU   B C   1 
ATOM   1519 O O   . LEU   A 1 181 ? -28.767 -0.905  -22.969 1.00 13.17 ? 187 LEU   B O   1 
ATOM   1520 C CB  . LEU   A 1 181 ? -29.875 -3.573  -21.847 1.00 10.83 ? 187 LEU   B CB  1 
ATOM   1521 C CG  . LEU   A 1 181 ? -30.910 -4.510  -21.208 1.00 11.42 ? 187 LEU   B CG  1 
ATOM   1522 C CD1 . LEU   A 1 181 ? -31.078 -5.783  -22.023 1.00 12.64 ? 187 LEU   B CD1 1 
ATOM   1523 C CD2 . LEU   A 1 181 ? -30.538 -4.873  -19.783 1.00 13.03 ? 187 LEU   B CD2 1 
ATOM   1524 N N   . LYS   A 1 182 ? -27.457 -1.331  -21.160 1.00 10.93 ? 188 LYS   B N   1 
ATOM   1525 C CA  . LYS   A 1 182 ? -26.294 -0.577  -21.702 1.00 11.82 ? 188 LYS   B CA  1 
ATOM   1526 C C   . LYS   A 1 182 ? -25.068 -1.468  -21.662 1.00 11.92 ? 188 LYS   B C   1 
ATOM   1527 O O   . LYS   A 1 182 ? -24.719 -1.985  -20.570 1.00 12.44 ? 188 LYS   B O   1 
ATOM   1528 C CB  . LYS   A 1 182 ? -26.019 0.718   -20.934 1.00 13.68 ? 188 LYS   B CB  1 
ATOM   1529 C CG  . LYS   A 1 182 ? -27.186 1.660   -20.733 1.00 17.20 ? 188 LYS   B CG  1 
ATOM   1530 C CD  . LYS   A 1 182 ? -26.763 2.978   -20.082 1.00 21.42 ? 188 LYS   B CD  1 
ATOM   1531 C CE  . LYS   A 1 182 ? -27.905 3.892   -19.715 1.00 25.43 ? 188 LYS   B CE  1 
ATOM   1532 N NZ  . LYS   A 1 182 ? -27.393 5.046   -18.927 1.00 31.56 ? 188 LYS   B NZ  1 
ATOM   1533 N N   . LEU   A 1 183 ? -24.322 -1.518  -22.738 1.00 11.73 ? 189 LEU   B N   1 
ATOM   1534 C CA  . LEU   A 1 183 ? -22.984 -2.173  -22.741 1.00 12.21 ? 189 LEU   B CA  1 
ATOM   1535 C C   . LEU   A 1 183 ? -21.998 -1.223  -22.075 1.00 13.81 ? 189 LEU   B C   1 
ATOM   1536 O O   . LEU   A 1 183 ? -21.841 -0.080  -22.588 1.00 17.00 ? 189 LEU   B O   1 
ATOM   1537 C CB  . LEU   A 1 183 ? -22.609 -2.555  -24.177 1.00 12.65 ? 189 LEU   B CB  1 
ATOM   1538 C CG  . LEU   A 1 183 ? -23.352 -3.807  -24.660 1.00 13.69 ? 189 LEU   B CG  1 
ATOM   1539 C CD1 . LEU   A 1 183 ? -23.526 -3.873  -26.166 1.00 18.08 ? 189 LEU   B CD1 1 
ATOM   1540 C CD2 . LEU   A 1 183 ? -22.712 -5.089  -24.083 1.00 12.57 ? 189 LEU   B CD2 1 
ATOM   1541 N N   . CYS   A 1 184 ? -21.334 -1.683  -21.020 1.00 15.75 ? 190 CYS   B N   1 
ATOM   1542 C CA  . CYS   A 1 184 ? -20.454 -0.825  -20.181 1.00 18.45 ? 190 CYS   B CA  1 
ATOM   1543 C C   . CYS   A 1 184 ? -19.088 -0.752  -20.813 1.00 19.94 ? 190 CYS   B C   1 
ATOM   1544 O O   . CYS   A 1 184 ? -18.601 -1.711  -21.380 1.00 20.93 ? 190 CYS   B O   1 
ATOM   1545 C CB  . CYS   A 1 184 ? -20.148 -1.451  -18.838 1.00 20.77 ? 190 CYS   B CB  1 
ATOM   1546 S SG  . CYS   A 1 184 ? -21.571 -2.035  -17.946 1.00 20.82 ? 190 CYS   B SG  1 
ATOM   1547 N N   . PRO   A 1 185 ? -18.388 0.391   -20.657 1.00 25.39 ? 191 PRO   B N   1 
ATOM   1548 C CA  . PRO   A 1 185 ? -17.074 0.547   -21.246 1.00 32.02 ? 191 PRO   B CA  1 
ATOM   1549 C C   . PRO   A 1 185 ? -16.081 -0.393  -20.559 1.00 29.81 ? 191 PRO   B C   1 
ATOM   1550 O O   . PRO   A 1 185 ? -16.222 -0.652  -19.361 1.00 31.23 ? 191 PRO   B O   1 
ATOM   1551 C CB  . PRO   A 1 185 ? -16.796 2.049   -21.047 1.00 29.50 ? 191 PRO   B CB  1 
ATOM   1552 C CG  . PRO   A 1 185 ? -17.634 2.443   -19.869 1.00 30.01 ? 191 PRO   B CG  1 
ATOM   1553 C CD  . PRO   A 1 185 ? -18.893 1.615   -20.009 1.00 27.86 ? 191 PRO   B CD  1 
ATOM   1554 N N   . LEU   A 1 186 ? -15.141 -0.866  -21.377 1.00 36.16 ? 192 LEU   B N   1 
ATOM   1555 C CA  . LEU   A 1 186 ? -13.863 -1.552  -21.055 1.00 38.49 ? 192 LEU   B CA  1 
ATOM   1556 C C   . LEU   A 1 186 ? -12.975 -0.635  -20.213 1.00 43.69 ? 192 LEU   B C   1 
ATOM   1557 O O   . LEU   A 1 186 ? -12.251 -1.175  -19.369 1.00 48.88 ? 192 LEU   B O   1 
ATOM   1558 C CB  . LEU   A 1 186 ? -13.169 -1.883  -22.383 1.00 37.74 ? 192 LEU   B CB  1 
HETATM 1559 N N1  . A1BF1 B 2 .   ? -45.939 -4.566  -26.232 0.42 27.85 ? 201 A1BF1 B N1  1 
HETATM 1560 C C4  . A1BF1 B 2 .   ? -44.805 -5.757  -28.139 0.42 24.73 ? 201 A1BF1 B C4  1 
HETATM 1561 C C5  . A1BF1 B 2 .   ? -45.274 -7.042  -28.356 0.42 24.62 ? 201 A1BF1 B C5  1 
HETATM 1562 C C6  . A1BF1 B 2 .   ? -44.412 -8.051  -28.763 0.42 24.57 ? 201 A1BF1 B C6  1 
HETATM 1563 C C7  . A1BF1 B 2 .   ? -43.077 -7.778  -28.964 0.42 24.40 ? 201 A1BF1 B C7  1 
HETATM 1564 C C8  . A1BF1 B 2 .   ? -42.599 -6.504  -28.757 0.42 24.71 ? 201 A1BF1 B C8  1 
HETATM 1565 C C10 . A1BF1 B 2 .   ? -47.282 -4.022  -25.957 0.42 30.77 ? 201 A1BF1 B C10 1 
HETATM 1566 C C1  . A1BF1 B 2 .   ? -45.137 -3.420  -24.156 0.42 28.60 ? 201 A1BF1 B C1  1 
HETATM 1567 C C11 . A1BF1 B 2 .   ? -47.524 -3.684  -24.524 0.42 31.04 ? 201 A1BF1 B C11 1 
HETATM 1568 C C2  . A1BF1 B 2 .   ? -44.873 -3.763  -25.590 0.42 28.52 ? 201 A1BF1 B C2  1 
HETATM 1569 C C3  . A1BF1 B 2 .   ? -45.742 -4.660  -27.694 0.42 26.47 ? 201 A1BF1 B C3  1 
HETATM 1570 C C9  . A1BF1 B 2 .   ? -43.462 -5.495  -28.358 0.42 25.08 ? 201 A1BF1 B C9  1 
HETATM 1571 N N2  . A1BF1 B 2 .   ? -46.450 -3.218  -23.803 0.42 29.34 ? 201 A1BF1 B N2  1 
HETATM 1572 O O1  . A1BF1 B 2 .   ? -44.228 -3.323  -23.349 0.42 24.73 ? 201 A1BF1 B O1  1 
HETATM 1573 O O2  . A1BF1 B 2 .   ? -48.636 -3.799  -24.043 0.42 35.43 ? 201 A1BF1 B O2  1 
HETATM 1574 C C1  . EDO   C 3 .   ? -50.330 -17.100 -33.081 1.00 41.20 ? 202 EDO   B C1  1 
HETATM 1575 O O1  . EDO   C 3 .   ? -49.120 -16.374 -33.088 1.00 34.73 ? 202 EDO   B O1  1 
HETATM 1576 C C2  . EDO   C 3 .   ? -50.960 -17.107 -31.751 1.00 40.24 ? 202 EDO   B C2  1 
HETATM 1577 O O2  . EDO   C 3 .   ? -51.267 -15.796 -31.378 1.00 46.46 ? 202 EDO   B O2  1 
HETATM 1578 S S   . SO4   D 4 .   ? -40.373 -24.542 -26.269 1.00 36.62 ? 203 SO4   B S   1 
HETATM 1579 O O1  . SO4   D 4 .   ? -39.680 -23.561 -27.029 1.00 24.10 ? 203 SO4   B O1  1 
HETATM 1580 O O2  . SO4   D 4 .   ? -41.271 -25.270 -27.119 1.00 43.72 ? 203 SO4   B O2  1 
HETATM 1581 O O3  . SO4   D 4 .   ? -39.388 -25.447 -25.703 1.00 43.18 ? 203 SO4   B O3  1 
HETATM 1582 O O4  . SO4   D 4 .   ? -41.118 -23.934 -25.183 1.00 40.00 ? 203 SO4   B O4  1 
HETATM 1583 O O   . HOH   E 5 .   ? -47.003 -16.750 -31.978 1.00 23.87 ? 301 HOH   B O   1 
HETATM 1584 O O   . HOH   E 5 .   ? -29.392 -12.389 -37.681 1.00 23.15 ? 302 HOH   B O   1 
HETATM 1585 O O   . HOH   E 5 .   ? -41.153 5.423   -28.446 1.00 26.55 ? 303 HOH   B O   1 
HETATM 1586 O O   . HOH   E 5 .   ? -32.877 1.128   -33.511 1.00 19.58 ? 304 HOH   B O   1 
HETATM 1587 O O   . HOH   E 5 .   ? -36.183 5.573   -15.910 1.00 23.83 ? 305 HOH   B O   1 
HETATM 1588 O O   . HOH   E 5 .   ? -36.754 -16.259 -39.366 1.00 26.75 ? 306 HOH   B O   1 
HETATM 1589 O O   . HOH   E 5 .   ? -37.903 2.869   -22.800 1.00 18.67 ? 307 HOH   B O   1 
HETATM 1590 O O   . HOH   E 5 .   ? -30.793 -20.279 -21.304 1.00 11.70 ? 308 HOH   B O   1 
HETATM 1591 O O   . HOH   E 5 .   ? -49.612 -1.690  -19.399 1.00 24.92 ? 309 HOH   B O   1 
HETATM 1592 O O   . HOH   E 5 .   ? -37.937 -14.332 -21.414 1.00 30.34 ? 310 HOH   B O   1 
HETATM 1593 O O   . HOH   E 5 .   ? -45.123 -12.263 -26.557 1.00 30.43 ? 311 HOH   B O   1 
HETATM 1594 O O   . HOH   E 5 .   ? -38.711 -2.470  -21.330 1.00 13.25 ? 312 HOH   B O   1 
HETATM 1595 O O   . HOH   E 5 .   ? -40.866 -9.436  -36.771 1.00 26.08 ? 313 HOH   B O   1 
HETATM 1596 O O   . HOH   E 5 .   ? -42.520 -5.734  -12.240 1.00 18.87 ? 314 HOH   B O   1 
HETATM 1597 O O   . HOH   E 5 .   ? -34.052 -21.957 -31.339 1.00 18.34 ? 315 HOH   B O   1 
HETATM 1598 O O   . HOH   E 5 .   ? -36.193 -1.809  -33.816 1.00 17.70 ? 316 HOH   B O   1 
HETATM 1599 O O   . HOH   E 5 .   ? -40.193 -14.317 -31.396 1.00 13.46 ? 317 HOH   B O   1 
HETATM 1600 O O   . HOH   E 5 .   ? -42.146 -3.946  -39.417 1.00 20.66 ? 318 HOH   B O   1 
HETATM 1601 O O   . HOH   E 5 .   ? -45.684 -14.717 -27.612 1.00 34.51 ? 319 HOH   B O   1 
HETATM 1602 O O   . HOH   E 5 .   ? -36.413 -0.324  -42.235 1.00 34.50 ? 320 HOH   B O   1 
HETATM 1603 O O   . HOH   E 5 .   ? -40.967 -6.020  -37.987 1.00 25.32 ? 321 HOH   B O   1 
HETATM 1604 O O   . HOH   E 5 .   ? -33.376 -1.843  -38.388 1.00 25.87 ? 322 HOH   B O   1 
HETATM 1605 O O   . HOH   E 5 .   ? -36.935 0.830   -15.550 1.00 15.15 ? 323 HOH   B O   1 
HETATM 1606 O O   . HOH   E 5 .   ? -35.402 -4.598  -42.143 1.00 21.80 ? 324 HOH   B O   1 
HETATM 1607 O O   . HOH   E 5 .   ? -36.438 -0.950  -22.077 1.00 12.56 ? 325 HOH   B O   1 
HETATM 1608 O O   . HOH   E 5 .   ? -41.419 -8.462  -13.269 1.00 18.42 ? 326 HOH   B O   1 
HETATM 1609 O O   . HOH   E 5 .   ? -39.882 2.737   -16.107 1.00 15.69 ? 327 HOH   B O   1 
HETATM 1610 O O   . HOH   E 5 .   ? -31.444 3.474   -26.772 1.00 22.70 ? 328 HOH   B O   1 
HETATM 1611 O O   . HOH   E 5 .   ? -39.873 -11.710 -22.649 1.00 30.17 ? 329 HOH   B O   1 
HETATM 1612 O O   . HOH   E 5 .   ? -41.028 -8.732  -19.341 1.00 15.27 ? 330 HOH   B O   1 
HETATM 1613 O O   . HOH   E 5 .   ? -43.251 3.740   -18.774 1.00 20.90 ? 331 HOH   B O   1 
HETATM 1614 O O   . HOH   E 5 .   ? -38.612 3.966   -13.717 1.00 32.82 ? 332 HOH   B O   1 
HETATM 1615 O O   . HOH   E 5 .   ? -30.942 4.136   -24.306 1.00 23.13 ? 333 HOH   B O   1 
HETATM 1616 O O   . HOH   E 5 .   ? -40.258 -7.438  -34.836 1.00 19.83 ? 334 HOH   B O   1 
HETATM 1617 O O   . HOH   E 5 .   ? -34.259 5.465   -17.909 1.00 40.77 ? 335 HOH   B O   1 
# 
