data_7HMT
# 
_entry.id   7HMT 
# 
_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   7HMT         pdb_00007hmt 10.2210/pdb7hmt/pdb 
WWPDB D_1001407671 ?            ?                   
# 
_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                        7HMT 
_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 '(1R)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol' 180.247   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    141 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '(1R)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol' A1BFM 
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 
A1BFM non-polymer         . '(1R)-1-(1-cyclopentyl-1H-pyrazol-4-yl)ethan-1-ol' ?                 'C10 H16 N2 O'   180.247 
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        A1BFM 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BFM 
_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 A1BFM 1   201 302 A1BFM 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 11  HOH   HOH B . 
E 5 HOH   2   302 29  HOH   HOH B . 
E 5 HOH   3   303 12  HOH   HOH B . 
E 5 HOH   4   304 16  HOH   HOH B . 
E 5 HOH   5   305 33  HOH   HOH B . 
E 5 HOH   6   306 34  HOH   HOH B . 
E 5 HOH   7   307 1   HOH   HOH B . 
E 5 HOH   8   308 281 HOH   HOH B . 
E 5 HOH   9   309 21  HOH   HOH B . 
E 5 HOH   10  310 90  HOH   HOH B . 
E 5 HOH   11  311 4   HOH   HOH B . 
E 5 HOH   12  312 27  HOH   HOH B . 
E 5 HOH   13  313 10  HOH   HOH B . 
E 5 HOH   14  314 51  HOH   HOH B . 
E 5 HOH   15  315 184 HOH   HOH B . 
E 5 HOH   16  316 58  HOH   HOH B . 
E 5 HOH   17  317 11  HOH   HOH B . 
E 5 HOH   18  318 154 HOH   HOH B . 
E 5 HOH   19  319 102 HOH   HOH B . 
E 5 HOH   20  320 26  HOH   HOH B . 
E 5 HOH   21  321 63  HOH   HOH B . 
E 5 HOH   22  322 95  HOH   HOH B . 
E 5 HOH   23  323 5   HOH   HOH B . 
E 5 HOH   24  324 70  HOH   HOH B . 
E 5 HOH   25  325 2   HOH   HOH B . 
E 5 HOH   26  326 2   HOH   HOH B . 
E 5 HOH   27  327 22  HOH   HOH B . 
E 5 HOH   28  328 129 HOH   HOH B . 
E 5 HOH   29  329 25  HOH   HOH B . 
E 5 HOH   30  330 3   HOH   HOH B . 
E 5 HOH   31  331 81  HOH   HOH B . 
E 5 HOH   32  332 20  HOH   HOH B . 
E 5 HOH   33  333 16  HOH   HOH B . 
E 5 HOH   34  334 39  HOH   HOH B . 
E 5 HOH   35  335 27  HOH   HOH B . 
E 5 HOH   36  336 89  HOH   HOH B . 
E 5 HOH   37  337 36  HOH   HOH B . 
E 5 HOH   38  338 18  HOH   HOH B . 
E 5 HOH   39  339 7   HOH   HOH B . 
E 5 HOH   40  340 68  HOH   HOH B . 
E 5 HOH   41  341 31  HOH   HOH B . 
E 5 HOH   42  342 40  HOH   HOH B . 
E 5 HOH   43  343 76  HOH   HOH B . 
E 5 HOH   44  344 126 HOH   HOH B . 
E 5 HOH   45  345 156 HOH   HOH B . 
E 5 HOH   46  346 267 HOH   HOH B . 
E 5 HOH   47  347 32  HOH   HOH B . 
E 5 HOH   48  348 73  HOH   HOH B . 
E 5 HOH   49  349 55  HOH   HOH B . 
E 5 HOH   50  350 116 HOH   HOH B . 
E 5 HOH   51  351 50  HOH   HOH B . 
E 5 HOH   52  352 112 HOH   HOH B . 
E 5 HOH   53  353 43  HOH   HOH B . 
E 5 HOH   54  354 62  HOH   HOH B . 
E 5 HOH   55  355 86  HOH   HOH B . 
E 5 HOH   56  356 66  HOH   HOH B . 
E 5 HOH   57  357 10  HOH   HOH B . 
E 5 HOH   58  358 9   HOH   HOH B . 
E 5 HOH   59  359 47  HOH   HOH B . 
E 5 HOH   60  360 4   HOH   HOH B . 
E 5 HOH   61  361 29  HOH   HOH B . 
E 5 HOH   62  362 61  HOH   HOH B . 
E 5 HOH   63  363 71  HOH   HOH B . 
E 5 HOH   64  364 72  HOH   HOH B . 
E 5 HOH   65  365 19  HOH   HOH B . 
E 5 HOH   66  366 1   HOH   HOH B . 
E 5 HOH   67  367 6   HOH   HOH B . 
E 5 HOH   68  368 304 HOH   HOH B . 
E 5 HOH   69  369 15  HOH   HOH B . 
E 5 HOH   70  370 24  HOH   HOH B . 
E 5 HOH   71  371 80  HOH   HOH B . 
E 5 HOH   72  372 59  HOH   HOH B . 
E 5 HOH   73  373 17  HOH   HOH B . 
E 5 HOH   74  374 103 HOH   HOH B . 
E 5 HOH   75  375 157 HOH   HOH B . 
E 5 HOH   76  376 8   HOH   HOH B . 
E 5 HOH   77  377 100 HOH   HOH B . 
E 5 HOH   78  378 28  HOH   HOH B . 
E 5 HOH   79  379 32  HOH   HOH B . 
E 5 HOH   80  380 125 HOH   HOH B . 
E 5 HOH   81  381 137 HOH   HOH B . 
E 5 HOH   82  382 140 HOH   HOH B . 
E 5 HOH   83  383 93  HOH   HOH B . 
E 5 HOH   84  384 13  HOH   HOH B . 
E 5 HOH   85  385 64  HOH   HOH B . 
E 5 HOH   86  386 14  HOH   HOH B . 
E 5 HOH   87  387 303 HOH   HOH B . 
E 5 HOH   88  388 56  HOH   HOH B . 
E 5 HOH   89  389 69  HOH   HOH B . 
E 5 HOH   90  390 42  HOH   HOH B . 
E 5 HOH   91  391 20  HOH   HOH B . 
E 5 HOH   92  392 211 HOH   HOH B . 
E 5 HOH   93  393 257 HOH   HOH B . 
E 5 HOH   94  394 33  HOH   HOH B . 
E 5 HOH   95  395 60  HOH   HOH B . 
E 5 HOH   96  396 3   HOH   HOH B . 
E 5 HOH   97  397 99  HOH   HOH B . 
E 5 HOH   98  398 8   HOH   HOH B . 
E 5 HOH   99  399 54  HOH   HOH B . 
E 5 HOH   100 400 46  HOH   HOH B . 
E 5 HOH   101 401 12  HOH   HOH B . 
E 5 HOH   102 402 48  HOH   HOH B . 
E 5 HOH   103 403 25  HOH   HOH B . 
E 5 HOH   104 404 30  HOH   HOH B . 
E 5 HOH   105 405 45  HOH   HOH B . 
E 5 HOH   106 406 23  HOH   HOH B . 
E 5 HOH   107 407 57  HOH   HOH B . 
E 5 HOH   108 408 49  HOH   HOH B . 
E 5 HOH   109 409 97  HOH   HOH B . 
E 5 HOH   110 410 15  HOH   HOH B . 
E 5 HOH   111 411 120 HOH   HOH B . 
E 5 HOH   112 412 7   HOH   HOH B . 
E 5 HOH   113 413 197 HOH   HOH B . 
E 5 HOH   114 414 53  HOH   HOH B . 
E 5 HOH   115 415 38  HOH   HOH B . 
E 5 HOH   116 416 41  HOH   HOH B . 
E 5 HOH   117 417 114 HOH   HOH B . 
E 5 HOH   118 418 82  HOH   HOH B . 
E 5 HOH   119 419 5   HOH   HOH B . 
E 5 HOH   120 420 19  HOH   HOH B . 
E 5 HOH   121 421 133 HOH   HOH B . 
E 5 HOH   122 422 44  HOH   HOH B . 
E 5 HOH   123 423 266 HOH   HOH B . 
E 5 HOH   124 424 30  HOH   HOH B . 
E 5 HOH   125 425 26  HOH   HOH B . 
E 5 HOH   126 426 263 HOH   HOH B . 
E 5 HOH   127 427 107 HOH   HOH B . 
E 5 HOH   128 428 13  HOH   HOH B . 
E 5 HOH   129 429 23  HOH   HOH B . 
E 5 HOH   130 430 21  HOH   HOH B . 
E 5 HOH   131 431 115 HOH   HOH B . 
E 5 HOH   132 432 98  HOH   HOH B . 
E 5 HOH   133 433 104 HOH   HOH B . 
E 5 HOH   134 434 18  HOH   HOH B . 
E 5 HOH   135 435 205 HOH   HOH B . 
E 5 HOH   136 436 166 HOH   HOH B . 
E 5 HOH   137 437 127 HOH   HOH B . 
E 5 HOH   138 438 14  HOH   HOH B . 
E 5 HOH   139 439 131 HOH   HOH B . 
E 5 HOH   140 440 270 HOH   HOH B . 
E 5 HOH   141 441 259 HOH   HOH B . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 B LEU 192 ? CG  ? A LEU 186 CG  
2 1 Y 1 B LEU 192 ? CD1 ? A LEU 186 CD1 
3 1 Y 1 B LEU 192 ? CD2 ? A LEU 186 CD2 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 REFMAC      5.8.0267 ?               program 'Garib N. Murshudov' garib@ysbl.york.ac.uk    refinement        
http://www.ccp4.ac.uk/dist/html/refmac5.html        Fortran_77 ? 
2 Aimless     0.7.7    23/04/21        program 'Phil Evans'         ?                        'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?          ? 
3 PDB_EXTRACT 3.23     'SEP. 23, 2016' package PDB                  deposit@deposit.rcsb.org 'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++        ? 
4 XDS         .        ?               program ?                    ?                        'data reduction'  ? ?          ? 
5 REFMAC      .        ?               program ?                    ?                        phasing           ? ?          ? 
# 
_cell.entry_id           7HMT 
_cell.length_a           95.687 
_cell.length_b           95.687 
_cell.length_c           45.749 
_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                         7HMT 
_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          7HMT 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.42 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.27 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-05-24 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92124 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92124 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HMT 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.640 
_reflns.d_resolution_high            1.280 
_reflns.number_obs                   48980 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         91.900 
_reflns.pdbx_Rmerge_I_obs            0.110 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        12.000 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.700 
_reflns.pdbx_Rrim_I_all              0.115 
_reflns.pdbx_Rpim_I_all              0.032 
_reflns.pdbx_CC_half                 0.997 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     573429 
_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 1.280 1.300  ? 7718 1371 ? 1.889 ? ? ? 5.600  ? 0.400  ? ? ? ? ? ? 52.400 2.084 0.850 0.298 
1 2 7.010 67.640 ? 4458 357  ? 0.064 ? ? ? 12.500 ? 66.200 ? ? ? ? ? ? 99.900 0.066 0.019 0.997 
# 
_refine.entry_id                                 7HMT 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.2800 
_refine.ls_d_res_low                             67.6600 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    91.6900 
_refine.ls_number_reflns_obs                     46557 
_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                          0.1856 
_refine.ls_R_factor_R_work                       0.1846 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2056 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2394 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               15.1810 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.2100 
_refine.aniso_B[2][2]                            0.2100 
_refine.aniso_B[3][3]                            -0.4200 
_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               0.9620 
_refine.correlation_coeff_Fo_to_Fc_free          0.9530 
_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                       0.0550 
_refine.pdbx_overall_ESU_R_Free                  0.0560 
_refine.overall_SU_ML                            0.0480 
_refine.overall_SU_B                             1.2460 
_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                                68.650 
_refine.B_iso_min                                7.750 
_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                       1.2800 
_refine_hist.d_res_low                        67.6600 
_refine_hist.pdbx_number_atoms_ligand         22 
_refine_hist.number_atoms_solvent             141 
_refine_hist.number_atoms_total               1656 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           25.78 
_refine_hist.pdbx_B_iso_mean_solvent          25.30 
_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       2039 0.011  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1629 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2548 2.010  1.658  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3767 1.557  1.610  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  8.465  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 110  27.683 21.455 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 288  12.962 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   21.624 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         224  0.101  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2268 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     496  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            974  1.325  1.393  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.254  1.376  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 2.024  2.064  ? ? 
# 
_refine_ls_shell.d_res_high                       1.2800 
_refine_ls_shell.d_res_low                        1.3140 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               53.1200 
_refine_ls_shell.number_reflns_R_work             1961 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3430 
_refine_ls_shell.R_factor_R_free                  0.3900 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             127 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2088 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HMT 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z2004563941' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HMT 
_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              7HMT 
_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 7HMT MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HMT HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HMT HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HMT HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HMT HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HMT HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HMT HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HMT 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       -5.80 
# 
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 103 ? N TRP B 109 O GLU A 110 ? O GLU B 116 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HMT 
_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_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O B HOH 417 ? ? 1_555 O B HOH 417 ? ? 2_455 0.81 
2 1 O B HOH 328 ? ? 1_555 O B HOH 328 ? ? 2_455 0.90 
# 
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 CA B GLY 40 ? ? C  B GLY 40 ? ? N  B ASP 41 ? ? 130.54 117.20 13.34  2.20 Y 
2 1 O  B GLY 40 ? ? C  B GLY 40 ? ? N  B ASP 41 ? ? 107.45 122.70 -15.25 1.60 Y 
3 1 C  B GLY 40 ? ? N  B ASP 41 ? ? CA B ASP 41 ? ? 98.29  121.70 -23.41 2.50 Y 
4 1 CG B ARG 64 ? ? CD B ARG 64 ? ? NE B ARG 64 ? ? 125.73 111.80 13.93  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 ASP B 41  ? ? -102.57 42.76 
2 1 ASN B 45  ? ? 72.47   31.09 
3 1 ASP B 152 ? ? -100.01 51.91 
# 
_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 
A1BFM C10  C N N 1   
A1BFM C13  C N N 2   
A1BFM C01  C N N 3   
A1BFM C02  C N R 4   
A1BFM C04  C Y N 5   
A1BFM C05  C Y N 6   
A1BFM C08  C Y N 7   
A1BFM C09  C N N 8   
A1BFM C11  C N N 9   
A1BFM C12  C N N 10  
A1BFM N06  N Y N 11  
A1BFM N07  N Y N 12  
A1BFM O03  O N N 13  
A1BFM H101 H N N 14  
A1BFM H102 H N N 15  
A1BFM H132 H N N 16  
A1BFM H131 H N N 17  
A1BFM H012 H N N 18  
A1BFM H013 H N N 19  
A1BFM H011 H N N 20  
A1BFM H021 H N N 21  
A1BFM H051 H N N 22  
A1BFM H081 H N N 23  
A1BFM H091 H N N 24  
A1BFM H111 H N N 25  
A1BFM H112 H N N 26  
A1BFM H122 H N N 27  
A1BFM H121 H N N 28  
A1BFM H031 H N N 29  
ALA   N    N N N 30  
ALA   CA   C N S 31  
ALA   C    C N N 32  
ALA   O    O N N 33  
ALA   CB   C N N 34  
ALA   OXT  O N N 35  
ALA   H    H N N 36  
ALA   H2   H N N 37  
ALA   HA   H N N 38  
ALA   HB1  H N N 39  
ALA   HB2  H N N 40  
ALA   HB3  H N N 41  
ALA   HXT  H N N 42  
ARG   N    N N N 43  
ARG   CA   C N S 44  
ARG   C    C N N 45  
ARG   O    O N N 46  
ARG   CB   C N N 47  
ARG   CG   C N N 48  
ARG   CD   C N N 49  
ARG   NE   N N N 50  
ARG   CZ   C N N 51  
ARG   NH1  N N N 52  
ARG   NH2  N N N 53  
ARG   OXT  O N N 54  
ARG   H    H N N 55  
ARG   H2   H N N 56  
ARG   HA   H N N 57  
ARG   HB2  H N N 58  
ARG   HB3  H N N 59  
ARG   HG2  H N N 60  
ARG   HG3  H N N 61  
ARG   HD2  H N N 62  
ARG   HD3  H N N 63  
ARG   HE   H N N 64  
ARG   HH11 H N N 65  
ARG   HH12 H N N 66  
ARG   HH21 H N N 67  
ARG   HH22 H N N 68  
ARG   HXT  H N N 69  
ASN   N    N N N 70  
ASN   CA   C N S 71  
ASN   C    C N N 72  
ASN   O    O N N 73  
ASN   CB   C N N 74  
ASN   CG   C N N 75  
ASN   OD1  O N N 76  
ASN   ND2  N N N 77  
ASN   OXT  O N N 78  
ASN   H    H N N 79  
ASN   H2   H N N 80  
ASN   HA   H N N 81  
ASN   HB2  H N N 82  
ASN   HB3  H N N 83  
ASN   HD21 H N N 84  
ASN   HD22 H N N 85  
ASN   HXT  H N N 86  
ASP   N    N N N 87  
ASP   CA   C N S 88  
ASP   C    C N N 89  
ASP   O    O N N 90  
ASP   CB   C N N 91  
ASP   CG   C N N 92  
ASP   OD1  O N N 93  
ASP   OD2  O N N 94  
ASP   OXT  O N N 95  
ASP   H    H N N 96  
ASP   H2   H N N 97  
ASP   HA   H N N 98  
ASP   HB2  H N N 99  
ASP   HB3  H N N 100 
ASP   HD2  H N N 101 
ASP   HXT  H N N 102 
CYS   N    N N N 103 
CYS   CA   C N R 104 
CYS   C    C N N 105 
CYS   O    O N N 106 
CYS   CB   C N N 107 
CYS   SG   S N N 108 
CYS   OXT  O N N 109 
CYS   H    H N N 110 
CYS   H2   H N N 111 
CYS   HA   H N N 112 
CYS   HB2  H N N 113 
CYS   HB3  H N N 114 
CYS   HG   H N N 115 
CYS   HXT  H N N 116 
EDO   C1   C N N 117 
EDO   O1   O N N 118 
EDO   C2   C N N 119 
EDO   O2   O N N 120 
EDO   H11  H N N 121 
EDO   H12  H N N 122 
EDO   HO1  H N N 123 
EDO   H21  H N N 124 
EDO   H22  H N N 125 
EDO   HO2  H N N 126 
GLN   N    N N N 127 
GLN   CA   C N S 128 
GLN   C    C N N 129 
GLN   O    O N N 130 
GLN   CB   C N N 131 
GLN   CG   C N N 132 
GLN   CD   C N N 133 
GLN   OE1  O N N 134 
GLN   NE2  N N N 135 
GLN   OXT  O N N 136 
GLN   H    H N N 137 
GLN   H2   H N N 138 
GLN   HA   H N N 139 
GLN   HB2  H N N 140 
GLN   HB3  H N N 141 
GLN   HG2  H N N 142 
GLN   HG3  H N N 143 
GLN   HE21 H N N 144 
GLN   HE22 H N N 145 
GLN   HXT  H N N 146 
GLU   N    N N N 147 
GLU   CA   C N S 148 
GLU   C    C N N 149 
GLU   O    O N N 150 
GLU   CB   C N N 151 
GLU   CG   C N N 152 
GLU   CD   C N N 153 
GLU   OE1  O N N 154 
GLU   OE2  O N N 155 
GLU   OXT  O N N 156 
GLU   H    H N N 157 
GLU   H2   H N N 158 
GLU   HA   H N N 159 
GLU   HB2  H N N 160 
GLU   HB3  H N N 161 
GLU   HG2  H N N 162 
GLU   HG3  H N N 163 
GLU   HE2  H N N 164 
GLU   HXT  H N N 165 
GLY   N    N N N 166 
GLY   CA   C N N 167 
GLY   C    C N N 168 
GLY   O    O N N 169 
GLY   OXT  O N N 170 
GLY   H    H N N 171 
GLY   H2   H N N 172 
GLY   HA2  H N N 173 
GLY   HA3  H N N 174 
GLY   HXT  H N N 175 
HIS   N    N N N 176 
HIS   CA   C N S 177 
HIS   C    C N N 178 
HIS   O    O N N 179 
HIS   CB   C N N 180 
HIS   CG   C Y N 181 
HIS   ND1  N Y N 182 
HIS   CD2  C Y N 183 
HIS   CE1  C Y N 184 
HIS   NE2  N Y N 185 
HIS   OXT  O N N 186 
HIS   H    H N N 187 
HIS   H2   H N N 188 
HIS   HA   H N N 189 
HIS   HB2  H N N 190 
HIS   HB3  H N N 191 
HIS   HD1  H N N 192 
HIS   HD2  H N N 193 
HIS   HE1  H N N 194 
HIS   HE2  H N N 195 
HIS   HXT  H N N 196 
HOH   O    O N N 197 
HOH   H1   H N N 198 
HOH   H2   H N N 199 
ILE   N    N N N 200 
ILE   CA   C N S 201 
ILE   C    C N N 202 
ILE   O    O N N 203 
ILE   CB   C N S 204 
ILE   CG1  C N N 205 
ILE   CG2  C N N 206 
ILE   CD1  C N N 207 
ILE   OXT  O N N 208 
ILE   H    H N N 209 
ILE   H2   H N N 210 
ILE   HA   H N N 211 
ILE   HB   H N N 212 
ILE   HG12 H N N 213 
ILE   HG13 H N N 214 
ILE   HG21 H N N 215 
ILE   HG22 H N N 216 
ILE   HG23 H N N 217 
ILE   HD11 H N N 218 
ILE   HD12 H N N 219 
ILE   HD13 H N N 220 
ILE   HXT  H N N 221 
LEU   N    N N N 222 
LEU   CA   C N S 223 
LEU   C    C N N 224 
LEU   O    O N N 225 
LEU   CB   C N N 226 
LEU   CG   C N N 227 
LEU   CD1  C N N 228 
LEU   CD2  C N N 229 
LEU   OXT  O N N 230 
LEU   H    H N N 231 
LEU   H2   H N N 232 
LEU   HA   H N N 233 
LEU   HB2  H N N 234 
LEU   HB3  H N N 235 
LEU   HG   H N N 236 
LEU   HD11 H N N 237 
LEU   HD12 H N N 238 
LEU   HD13 H N N 239 
LEU   HD21 H N N 240 
LEU   HD22 H N N 241 
LEU   HD23 H N N 242 
LEU   HXT  H N N 243 
LYS   N    N N N 244 
LYS   CA   C N S 245 
LYS   C    C N N 246 
LYS   O    O N N 247 
LYS   CB   C N N 248 
LYS   CG   C N N 249 
LYS   CD   C N N 250 
LYS   CE   C N N 251 
LYS   NZ   N N N 252 
LYS   OXT  O N N 253 
LYS   H    H N N 254 
LYS   H2   H N N 255 
LYS   HA   H N N 256 
LYS   HB2  H N N 257 
LYS   HB3  H N N 258 
LYS   HG2  H N N 259 
LYS   HG3  H N N 260 
LYS   HD2  H N N 261 
LYS   HD3  H N N 262 
LYS   HE2  H N N 263 
LYS   HE3  H N N 264 
LYS   HZ1  H N N 265 
LYS   HZ2  H N N 266 
LYS   HZ3  H N N 267 
LYS   HXT  H N N 268 
MET   N    N N N 269 
MET   CA   C N S 270 
MET   C    C N N 271 
MET   O    O N N 272 
MET   CB   C N N 273 
MET   CG   C N N 274 
MET   SD   S N N 275 
MET   CE   C N N 276 
MET   OXT  O N N 277 
MET   H    H N N 278 
MET   H2   H N N 279 
MET   HA   H N N 280 
MET   HB2  H N N 281 
MET   HB3  H N N 282 
MET   HG2  H N N 283 
MET   HG3  H N N 284 
MET   HE1  H N N 285 
MET   HE2  H N N 286 
MET   HE3  H N N 287 
MET   HXT  H N N 288 
PHE   N    N N N 289 
PHE   CA   C N S 290 
PHE   C    C N N 291 
PHE   O    O N N 292 
PHE   CB   C N N 293 
PHE   CG   C Y N 294 
PHE   CD1  C Y N 295 
PHE   CD2  C Y N 296 
PHE   CE1  C Y N 297 
PHE   CE2  C Y N 298 
PHE   CZ   C Y N 299 
PHE   OXT  O N N 300 
PHE   H    H N N 301 
PHE   H2   H N N 302 
PHE   HA   H N N 303 
PHE   HB2  H N N 304 
PHE   HB3  H N N 305 
PHE   HD1  H N N 306 
PHE   HD2  H N N 307 
PHE   HE1  H N N 308 
PHE   HE2  H N N 309 
PHE   HZ   H N N 310 
PHE   HXT  H N N 311 
PRO   N    N N N 312 
PRO   CA   C N S 313 
PRO   C    C N N 314 
PRO   O    O N N 315 
PRO   CB   C N N 316 
PRO   CG   C N N 317 
PRO   CD   C N N 318 
PRO   OXT  O N N 319 
PRO   H    H N N 320 
PRO   HA   H N N 321 
PRO   HB2  H N N 322 
PRO   HB3  H N N 323 
PRO   HG2  H N N 324 
PRO   HG3  H N N 325 
PRO   HD2  H N N 326 
PRO   HD3  H N N 327 
PRO   HXT  H N N 328 
SER   N    N N N 329 
SER   CA   C N S 330 
SER   C    C N N 331 
SER   O    O N N 332 
SER   CB   C N N 333 
SER   OG   O N N 334 
SER   OXT  O N N 335 
SER   H    H N N 336 
SER   H2   H N N 337 
SER   HA   H N N 338 
SER   HB2  H N N 339 
SER   HB3  H N N 340 
SER   HG   H N N 341 
SER   HXT  H N N 342 
SO4   S    S N N 343 
SO4   O1   O N N 344 
SO4   O2   O N N 345 
SO4   O3   O N N 346 
SO4   O4   O N N 347 
THR   N    N N N 348 
THR   CA   C N S 349 
THR   C    C N N 350 
THR   O    O N N 351 
THR   CB   C N R 352 
THR   OG1  O N N 353 
THR   CG2  C N N 354 
THR   OXT  O N N 355 
THR   H    H N N 356 
THR   H2   H N N 357 
THR   HA   H N N 358 
THR   HB   H N N 359 
THR   HG1  H N N 360 
THR   HG21 H N N 361 
THR   HG22 H N N 362 
THR   HG23 H N N 363 
THR   HXT  H N N 364 
TRP   N    N N N 365 
TRP   CA   C N S 366 
TRP   C    C N N 367 
TRP   O    O N N 368 
TRP   CB   C N N 369 
TRP   CG   C Y N 370 
TRP   CD1  C Y N 371 
TRP   CD2  C Y N 372 
TRP   NE1  N Y N 373 
TRP   CE2  C Y N 374 
TRP   CE3  C Y N 375 
TRP   CZ2  C Y N 376 
TRP   CZ3  C Y N 377 
TRP   CH2  C Y N 378 
TRP   OXT  O N N 379 
TRP   H    H N N 380 
TRP   H2   H N N 381 
TRP   HA   H N N 382 
TRP   HB2  H N N 383 
TRP   HB3  H N N 384 
TRP   HD1  H N N 385 
TRP   HE1  H N N 386 
TRP   HE3  H N N 387 
TRP   HZ2  H N N 388 
TRP   HZ3  H N N 389 
TRP   HH2  H N N 390 
TRP   HXT  H N N 391 
TYR   N    N N N 392 
TYR   CA   C N S 393 
TYR   C    C N N 394 
TYR   O    O N N 395 
TYR   CB   C N N 396 
TYR   CG   C Y N 397 
TYR   CD1  C Y N 398 
TYR   CD2  C Y N 399 
TYR   CE1  C Y N 400 
TYR   CE2  C Y N 401 
TYR   CZ   C Y N 402 
TYR   OH   O N N 403 
TYR   OXT  O N N 404 
TYR   H    H N N 405 
TYR   H2   H N N 406 
TYR   HA   H N N 407 
TYR   HB2  H N N 408 
TYR   HB3  H N N 409 
TYR   HD1  H N N 410 
TYR   HD2  H N N 411 
TYR   HE1  H N N 412 
TYR   HE2  H N N 413 
TYR   HH   H N N 414 
TYR   HXT  H N N 415 
VAL   N    N N N 416 
VAL   CA   C N S 417 
VAL   C    C N N 418 
VAL   O    O N N 419 
VAL   CB   C N N 420 
VAL   CG1  C N N 421 
VAL   CG2  C N N 422 
VAL   OXT  O N N 423 
VAL   H    H N N 424 
VAL   H2   H N N 425 
VAL   HA   H N N 426 
VAL   HB   H N N 427 
VAL   HG11 H N N 428 
VAL   HG12 H N N 429 
VAL   HG13 H N N 430 
VAL   HG21 H N N 431 
VAL   HG22 H N N 432 
VAL   HG23 H N N 433 
VAL   HXT  H N N 434 
# 
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 
A1BFM C02 C01  sing N N 1   
A1BFM O03 C02  sing N N 2   
A1BFM C04 C02  sing N N 3   
A1BFM C05 C04  sing Y N 4   
A1BFM N06 C05  doub Y N 5   
A1BFM N07 N06  sing Y N 6   
A1BFM C08 N07  sing Y N 7   
A1BFM C09 N07  sing N N 8   
A1BFM C10 C09  sing N N 9   
A1BFM C11 C10  sing N N 10  
A1BFM C12 C11  sing N N 11  
A1BFM C13 C12  sing N N 12  
A1BFM C04 C08  doub Y N 13  
A1BFM C09 C13  sing N N 14  
A1BFM C10 H101 sing N N 15  
A1BFM C10 H102 sing N N 16  
A1BFM C13 H132 sing N N 17  
A1BFM C13 H131 sing N N 18  
A1BFM C01 H012 sing N N 19  
A1BFM C01 H013 sing N N 20  
A1BFM C01 H011 sing N N 21  
A1BFM C02 H021 sing N N 22  
A1BFM C05 H051 sing N N 23  
A1BFM C08 H081 sing N N 24  
A1BFM C09 H091 sing N N 25  
A1BFM C11 H111 sing N N 26  
A1BFM C11 H112 sing N N 27  
A1BFM C12 H122 sing N N 28  
A1BFM C12 H121 sing N N 29  
A1BFM O03 H031 sing N N 30  
ALA   N   CA   sing N N 31  
ALA   N   H    sing N N 32  
ALA   N   H2   sing N N 33  
ALA   CA  C    sing N N 34  
ALA   CA  CB   sing N N 35  
ALA   CA  HA   sing N N 36  
ALA   C   O    doub N N 37  
ALA   C   OXT  sing N N 38  
ALA   CB  HB1  sing N N 39  
ALA   CB  HB2  sing N N 40  
ALA   CB  HB3  sing N N 41  
ALA   OXT HXT  sing N N 42  
ARG   N   CA   sing N N 43  
ARG   N   H    sing N N 44  
ARG   N   H2   sing N N 45  
ARG   CA  C    sing N N 46  
ARG   CA  CB   sing N N 47  
ARG   CA  HA   sing N N 48  
ARG   C   O    doub N N 49  
ARG   C   OXT  sing N N 50  
ARG   CB  CG   sing N N 51  
ARG   CB  HB2  sing N N 52  
ARG   CB  HB3  sing N N 53  
ARG   CG  CD   sing N N 54  
ARG   CG  HG2  sing N N 55  
ARG   CG  HG3  sing N N 56  
ARG   CD  NE   sing N N 57  
ARG   CD  HD2  sing N N 58  
ARG   CD  HD3  sing N N 59  
ARG   NE  CZ   sing N N 60  
ARG   NE  HE   sing N N 61  
ARG   CZ  NH1  sing N N 62  
ARG   CZ  NH2  doub N N 63  
ARG   NH1 HH11 sing N N 64  
ARG   NH1 HH12 sing N N 65  
ARG   NH2 HH21 sing N N 66  
ARG   NH2 HH22 sing N N 67  
ARG   OXT HXT  sing N N 68  
ASN   N   CA   sing N N 69  
ASN   N   H    sing N N 70  
ASN   N   H2   sing N N 71  
ASN   CA  C    sing N N 72  
ASN   CA  CB   sing N N 73  
ASN   CA  HA   sing N N 74  
ASN   C   O    doub N N 75  
ASN   C   OXT  sing N N 76  
ASN   CB  CG   sing N N 77  
ASN   CB  HB2  sing N N 78  
ASN   CB  HB3  sing N N 79  
ASN   CG  OD1  doub N N 80  
ASN   CG  ND2  sing N N 81  
ASN   ND2 HD21 sing N N 82  
ASN   ND2 HD22 sing N N 83  
ASN   OXT HXT  sing N N 84  
ASP   N   CA   sing N N 85  
ASP   N   H    sing N N 86  
ASP   N   H2   sing N N 87  
ASP   CA  C    sing N N 88  
ASP   CA  CB   sing N N 89  
ASP   CA  HA   sing N N 90  
ASP   C   O    doub N N 91  
ASP   C   OXT  sing N N 92  
ASP   CB  CG   sing N N 93  
ASP   CB  HB2  sing N N 94  
ASP   CB  HB3  sing N N 95  
ASP   CG  OD1  doub N N 96  
ASP   CG  OD2  sing N N 97  
ASP   OD2 HD2  sing N N 98  
ASP   OXT HXT  sing N N 99  
CYS   N   CA   sing N N 100 
CYS   N   H    sing N N 101 
CYS   N   H2   sing N N 102 
CYS   CA  C    sing N N 103 
CYS   CA  CB   sing N N 104 
CYS   CA  HA   sing N N 105 
CYS   C   O    doub N N 106 
CYS   C   OXT  sing N N 107 
CYS   CB  SG   sing N N 108 
CYS   CB  HB2  sing N N 109 
CYS   CB  HB3  sing N N 110 
CYS   SG  HG   sing N N 111 
CYS   OXT HXT  sing N N 112 
EDO   C1  O1   sing N N 113 
EDO   C1  C2   sing N N 114 
EDO   C1  H11  sing N N 115 
EDO   C1  H12  sing N N 116 
EDO   O1  HO1  sing N N 117 
EDO   C2  O2   sing N N 118 
EDO   C2  H21  sing N N 119 
EDO   C2  H22  sing N N 120 
EDO   O2  HO2  sing N N 121 
GLN   N   CA   sing N N 122 
GLN   N   H    sing N N 123 
GLN   N   H2   sing N N 124 
GLN   CA  C    sing N N 125 
GLN   CA  CB   sing N N 126 
GLN   CA  HA   sing N N 127 
GLN   C   O    doub N N 128 
GLN   C   OXT  sing N N 129 
GLN   CB  CG   sing N N 130 
GLN   CB  HB2  sing N N 131 
GLN   CB  HB3  sing N N 132 
GLN   CG  CD   sing N N 133 
GLN   CG  HG2  sing N N 134 
GLN   CG  HG3  sing N N 135 
GLN   CD  OE1  doub N N 136 
GLN   CD  NE2  sing N N 137 
GLN   NE2 HE21 sing N N 138 
GLN   NE2 HE22 sing N N 139 
GLN   OXT HXT  sing N N 140 
GLU   N   CA   sing N N 141 
GLU   N   H    sing N N 142 
GLU   N   H2   sing N N 143 
GLU   CA  C    sing N N 144 
GLU   CA  CB   sing N N 145 
GLU   CA  HA   sing N N 146 
GLU   C   O    doub N N 147 
GLU   C   OXT  sing N N 148 
GLU   CB  CG   sing N N 149 
GLU   CB  HB2  sing N N 150 
GLU   CB  HB3  sing N N 151 
GLU   CG  CD   sing N N 152 
GLU   CG  HG2  sing N N 153 
GLU   CG  HG3  sing N N 154 
GLU   CD  OE1  doub N N 155 
GLU   CD  OE2  sing N N 156 
GLU   OE2 HE2  sing N N 157 
GLU   OXT HXT  sing N N 158 
GLY   N   CA   sing N N 159 
GLY   N   H    sing N N 160 
GLY   N   H2   sing N N 161 
GLY   CA  C    sing N N 162 
GLY   CA  HA2  sing N N 163 
GLY   CA  HA3  sing N N 164 
GLY   C   O    doub N N 165 
GLY   C   OXT  sing N N 166 
GLY   OXT HXT  sing N N 167 
HIS   N   CA   sing N N 168 
HIS   N   H    sing N N 169 
HIS   N   H2   sing N N 170 
HIS   CA  C    sing N N 171 
HIS   CA  CB   sing N N 172 
HIS   CA  HA   sing N N 173 
HIS   C   O    doub N N 174 
HIS   C   OXT  sing N N 175 
HIS   CB  CG   sing N N 176 
HIS   CB  HB2  sing N N 177 
HIS   CB  HB3  sing N N 178 
HIS   CG  ND1  sing Y N 179 
HIS   CG  CD2  doub Y N 180 
HIS   ND1 CE1  doub Y N 181 
HIS   ND1 HD1  sing N N 182 
HIS   CD2 NE2  sing Y N 183 
HIS   CD2 HD2  sing N N 184 
HIS   CE1 NE2  sing Y N 185 
HIS   CE1 HE1  sing N N 186 
HIS   NE2 HE2  sing N N 187 
HIS   OXT HXT  sing N N 188 
HOH   O   H1   sing N N 189 
HOH   O   H2   sing N N 190 
ILE   N   CA   sing N N 191 
ILE   N   H    sing N N 192 
ILE   N   H2   sing N N 193 
ILE   CA  C    sing N N 194 
ILE   CA  CB   sing N N 195 
ILE   CA  HA   sing N N 196 
ILE   C   O    doub N N 197 
ILE   C   OXT  sing N N 198 
ILE   CB  CG1  sing N N 199 
ILE   CB  CG2  sing N N 200 
ILE   CB  HB   sing N N 201 
ILE   CG1 CD1  sing N N 202 
ILE   CG1 HG12 sing N N 203 
ILE   CG1 HG13 sing N N 204 
ILE   CG2 HG21 sing N N 205 
ILE   CG2 HG22 sing N N 206 
ILE   CG2 HG23 sing N N 207 
ILE   CD1 HD11 sing N N 208 
ILE   CD1 HD12 sing N N 209 
ILE   CD1 HD13 sing N N 210 
ILE   OXT HXT  sing N N 211 
LEU   N   CA   sing N N 212 
LEU   N   H    sing N N 213 
LEU   N   H2   sing N N 214 
LEU   CA  C    sing N N 215 
LEU   CA  CB   sing N N 216 
LEU   CA  HA   sing N N 217 
LEU   C   O    doub N N 218 
LEU   C   OXT  sing N N 219 
LEU   CB  CG   sing N N 220 
LEU   CB  HB2  sing N N 221 
LEU   CB  HB3  sing N N 222 
LEU   CG  CD1  sing N N 223 
LEU   CG  CD2  sing N N 224 
LEU   CG  HG   sing N N 225 
LEU   CD1 HD11 sing N N 226 
LEU   CD1 HD12 sing N N 227 
LEU   CD1 HD13 sing N N 228 
LEU   CD2 HD21 sing N N 229 
LEU   CD2 HD22 sing N N 230 
LEU   CD2 HD23 sing N N 231 
LEU   OXT HXT  sing N N 232 
LYS   N   CA   sing N N 233 
LYS   N   H    sing N N 234 
LYS   N   H2   sing N N 235 
LYS   CA  C    sing N N 236 
LYS   CA  CB   sing N N 237 
LYS   CA  HA   sing N N 238 
LYS   C   O    doub N N 239 
LYS   C   OXT  sing N N 240 
LYS   CB  CG   sing N N 241 
LYS   CB  HB2  sing N N 242 
LYS   CB  HB3  sing N N 243 
LYS   CG  CD   sing N N 244 
LYS   CG  HG2  sing N N 245 
LYS   CG  HG3  sing N N 246 
LYS   CD  CE   sing N N 247 
LYS   CD  HD2  sing N N 248 
LYS   CD  HD3  sing N N 249 
LYS   CE  NZ   sing N N 250 
LYS   CE  HE2  sing N N 251 
LYS   CE  HE3  sing N N 252 
LYS   NZ  HZ1  sing N N 253 
LYS   NZ  HZ2  sing N N 254 
LYS   NZ  HZ3  sing N N 255 
LYS   OXT HXT  sing N N 256 
MET   N   CA   sing N N 257 
MET   N   H    sing N N 258 
MET   N   H2   sing N N 259 
MET   CA  C    sing N N 260 
MET   CA  CB   sing N N 261 
MET   CA  HA   sing N N 262 
MET   C   O    doub N N 263 
MET   C   OXT  sing N N 264 
MET   CB  CG   sing N N 265 
MET   CB  HB2  sing N N 266 
MET   CB  HB3  sing N N 267 
MET   CG  SD   sing N N 268 
MET   CG  HG2  sing N N 269 
MET   CG  HG3  sing N N 270 
MET   SD  CE   sing N N 271 
MET   CE  HE1  sing N N 272 
MET   CE  HE2  sing N N 273 
MET   CE  HE3  sing N N 274 
MET   OXT HXT  sing N N 275 
PHE   N   CA   sing N N 276 
PHE   N   H    sing N N 277 
PHE   N   H2   sing N N 278 
PHE   CA  C    sing N N 279 
PHE   CA  CB   sing N N 280 
PHE   CA  HA   sing N N 281 
PHE   C   O    doub N N 282 
PHE   C   OXT  sing N N 283 
PHE   CB  CG   sing N N 284 
PHE   CB  HB2  sing N N 285 
PHE   CB  HB3  sing N N 286 
PHE   CG  CD1  doub Y N 287 
PHE   CG  CD2  sing Y N 288 
PHE   CD1 CE1  sing Y N 289 
PHE   CD1 HD1  sing N N 290 
PHE   CD2 CE2  doub Y N 291 
PHE   CD2 HD2  sing N N 292 
PHE   CE1 CZ   doub Y N 293 
PHE   CE1 HE1  sing N N 294 
PHE   CE2 CZ   sing Y N 295 
PHE   CE2 HE2  sing N N 296 
PHE   CZ  HZ   sing N N 297 
PHE   OXT HXT  sing N N 298 
PRO   N   CA   sing N N 299 
PRO   N   CD   sing N N 300 
PRO   N   H    sing N N 301 
PRO   CA  C    sing N N 302 
PRO   CA  CB   sing N N 303 
PRO   CA  HA   sing N N 304 
PRO   C   O    doub N N 305 
PRO   C   OXT  sing N N 306 
PRO   CB  CG   sing N N 307 
PRO   CB  HB2  sing N N 308 
PRO   CB  HB3  sing N N 309 
PRO   CG  CD   sing N N 310 
PRO   CG  HG2  sing N N 311 
PRO   CG  HG3  sing N N 312 
PRO   CD  HD2  sing N N 313 
PRO   CD  HD3  sing N N 314 
PRO   OXT HXT  sing N N 315 
SER   N   CA   sing N N 316 
SER   N   H    sing N N 317 
SER   N   H2   sing N N 318 
SER   CA  C    sing N N 319 
SER   CA  CB   sing N N 320 
SER   CA  HA   sing N N 321 
SER   C   O    doub N N 322 
SER   C   OXT  sing N N 323 
SER   CB  OG   sing N N 324 
SER   CB  HB2  sing N N 325 
SER   CB  HB3  sing N N 326 
SER   OG  HG   sing N N 327 
SER   OXT HXT  sing N N 328 
SO4   S   O1   doub N N 329 
SO4   S   O2   doub N N 330 
SO4   S   O3   sing N N 331 
SO4   S   O4   sing N N 332 
THR   N   CA   sing N N 333 
THR   N   H    sing N N 334 
THR   N   H2   sing N N 335 
THR   CA  C    sing N N 336 
THR   CA  CB   sing N N 337 
THR   CA  HA   sing N N 338 
THR   C   O    doub N N 339 
THR   C   OXT  sing N N 340 
THR   CB  OG1  sing N N 341 
THR   CB  CG2  sing N N 342 
THR   CB  HB   sing N N 343 
THR   OG1 HG1  sing N N 344 
THR   CG2 HG21 sing N N 345 
THR   CG2 HG22 sing N N 346 
THR   CG2 HG23 sing N N 347 
THR   OXT HXT  sing N N 348 
TRP   N   CA   sing N N 349 
TRP   N   H    sing N N 350 
TRP   N   H2   sing N N 351 
TRP   CA  C    sing N N 352 
TRP   CA  CB   sing N N 353 
TRP   CA  HA   sing N N 354 
TRP   C   O    doub N N 355 
TRP   C   OXT  sing N N 356 
TRP   CB  CG   sing N N 357 
TRP   CB  HB2  sing N N 358 
TRP   CB  HB3  sing N N 359 
TRP   CG  CD1  doub Y N 360 
TRP   CG  CD2  sing Y N 361 
TRP   CD1 NE1  sing Y N 362 
TRP   CD1 HD1  sing N N 363 
TRP   CD2 CE2  doub Y N 364 
TRP   CD2 CE3  sing Y N 365 
TRP   NE1 CE2  sing Y N 366 
TRP   NE1 HE1  sing N N 367 
TRP   CE2 CZ2  sing Y N 368 
TRP   CE3 CZ3  doub Y N 369 
TRP   CE3 HE3  sing N N 370 
TRP   CZ2 CH2  doub Y N 371 
TRP   CZ2 HZ2  sing N N 372 
TRP   CZ3 CH2  sing Y N 373 
TRP   CZ3 HZ3  sing N N 374 
TRP   CH2 HH2  sing N N 375 
TRP   OXT HXT  sing N N 376 
TYR   N   CA   sing N N 377 
TYR   N   H    sing N N 378 
TYR   N   H2   sing N N 379 
TYR   CA  C    sing N N 380 
TYR   CA  CB   sing N N 381 
TYR   CA  HA   sing N N 382 
TYR   C   O    doub N N 383 
TYR   C   OXT  sing N N 384 
TYR   CB  CG   sing N N 385 
TYR   CB  HB2  sing N N 386 
TYR   CB  HB3  sing N N 387 
TYR   CG  CD1  doub Y N 388 
TYR   CG  CD2  sing Y N 389 
TYR   CD1 CE1  sing Y N 390 
TYR   CD1 HD1  sing N N 391 
TYR   CD2 CE2  doub Y N 392 
TYR   CD2 HD2  sing N N 393 
TYR   CE1 CZ   doub Y N 394 
TYR   CE1 HE1  sing N N 395 
TYR   CE2 CZ   sing Y N 396 
TYR   CE2 HE2  sing N N 397 
TYR   CZ  OH   sing N N 398 
TYR   OH  HH   sing N N 399 
TYR   OXT HXT  sing N N 400 
VAL   N   CA   sing N N 401 
VAL   N   H    sing N N 402 
VAL   N   H2   sing N N 403 
VAL   CA  C    sing N N 404 
VAL   CA  CB   sing N N 405 
VAL   CA  HA   sing N N 406 
VAL   C   O    doub N N 407 
VAL   C   OXT  sing N N 408 
VAL   CB  CG1  sing N N 409 
VAL   CB  CG2  sing N N 410 
VAL   CB  HB   sing N N 411 
VAL   CG1 HG11 sing N N 412 
VAL   CG1 HG12 sing N N 413 
VAL   CG1 HG13 sing N N 414 
VAL   CG2 HG21 sing N N 415 
VAL   CG2 HG22 sing N N 416 
VAL   CG2 HG23 sing N N 417 
VAL   OXT HXT  sing N N 418 
# 
_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                    7HMT 
_atom_sites.fract_transf_matrix[1][1]   0.010451 
_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]   0.010451 
_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]   0.021858 
_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   ? -13.372 -12.555 -9.764  1.00 54.58 ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.884 -13.302 -10.971 1.00 50.59 ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.798 -12.477 -11.671 1.00 50.72 ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.724 -11.238 -11.420 1.00 49.24 ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -14.053 -13.646 -11.918 1.00 45.01 ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.669 -12.459 -12.590 1.00 42.31 ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -14.167 -11.940 -13.773 1.00 40.76 ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.737 -11.692 -12.267 1.00 39.43 ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.883 -10.896 -14.137 1.00 39.54 ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.859 -10.722 -13.235 1.00 36.12 ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -11.017 -13.137 -12.534 1.00 46.34 ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.911  -12.543 -13.332 1.00 47.63 ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -10.159 -12.755 -14.834 1.00 43.93 ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -9.188  -13.116 -15.546 1.00 44.41 ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.580  -13.123 -12.828 1.00 53.74 ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -8.441  -12.994 -11.345 1.00 63.01 ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -8.214  -11.772 -10.728 1.00 65.75 ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -8.544  -13.906 -10.352 1.00 67.55 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -8.159  -11.944 -9.421  1.00 68.20 ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -8.354  -13.246 -9.165  1.00 68.65 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.395 -12.507 -15.314 1.00 35.00 ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.793 -12.694 -16.741 1.00 29.63 ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.760 -11.360 -17.495 1.00 27.16 ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.937 -11.366 -18.738 1.00 30.42 ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.196 -13.309 -16.859 1.00 28.53 ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.341 -14.671 -16.277 1.00 27.54 ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.477 -15.724 -16.562 1.00 26.90 ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.280 -15.165 -15.446 1.00 27.33 ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.889 -16.795 -15.919 1.00 29.33 ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -14.000 -16.474 -15.247 1.00 30.36 ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.543 -10.243 -16.790 1.00 29.36 ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.628 -8.860  -17.336 1.00 31.60 ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.766 -8.681  -18.595 1.00 30.66 ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.202 -7.947  -19.496 1.00 31.37 ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.283 -7.826  -16.243 1.00 37.36 ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -12.213 -7.882  -15.081 1.00 44.31 ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -11.957 -8.677  -13.963 1.00 53.16 ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.403 -7.273  -14.853 1.00 47.46 ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -12.946 -8.543  -13.093 1.00 53.47 ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -13.856 -7.686  -13.620 1.00 48.60 ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.607  -9.347  -18.682 1.00 27.95 ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.623  -9.216  -19.788 1.00 27.10 ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -9.141  -9.802  -21.112 1.00 25.74 ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.544  -9.516  -22.146 1.00 27.91 ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.272  -9.825  -19.392 1.00 30.29 ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.281  -11.264 -19.011 1.00 31.26 ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.688  -12.241 -19.805 1.00 35.64 ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.734  -11.893 -17.906 1.00 35.03 ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.802  -13.407 -19.217 1.00 33.98 ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.457  -13.229 -18.055 1.00 38.15 ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.214 -10.599 -21.105 1.00 24.58 ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.888 -11.146 -22.322 1.00 20.18 ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -12.034 -10.239 -22.770 1.00 19.34 ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.848 -10.699 -23.554 1.00 16.29 ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.443 -12.549 -22.056 1.00 20.68 ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.403 -13.524 -21.589 1.00 21.14 ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.330  -13.862 -22.390 1.00 22.27 ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.282 -14.195 -20.421 1.00 21.51 ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.578  -14.727 -21.728 1.00 20.09 ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -9.134  -14.942 -20.510 1.00 23.54 ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -12.068 -9.005  -22.279 1.00 18.80 ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -13.088 -8.000  -22.630 1.00 20.52 ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -13.176 -7.881  -24.156 1.00 21.60 ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -12.137 -7.825  -24.861 1.00 23.46 ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.745 -6.653  -21.989 1.00 25.65 ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.762 -5.546  -22.259 1.00 29.70 ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.398 -5.783  -21.454 1.00 40.98 ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -15.036 -5.230  -19.794 1.00 34.20 ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.403 -7.882  -24.673 1.00 18.44 ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.734 -7.665  -26.096 1.00 17.93 ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.707 -6.480  -26.174 1.00 18.60 ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.520 -6.281  -25.229 1.00 17.63 ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.251 -8.936  -26.799 1.00 18.63 ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -14.122 -9.957  -26.900 1.00 20.81 ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.450 -9.557  -26.116 1.00 18.95 ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.604 -5.711  -27.245 1.00 18.33 ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.474 -4.533  -27.485 1.00 18.80 ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.702 -5.019  -28.259 1.00 19.10 ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.603 -5.365  -29.418 1.00 22.22 ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.721 -3.448  -28.231 1.00 20.50 ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.511 -2.199  -28.459 1.00 25.18 ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.645 -1.230  -27.502 1.00 26.46 ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -17.185 -1.766  -29.548 1.00 26.98 ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.393 -0.239  -27.976 1.00 26.58 ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.737 -0.553  -29.241 1.00 29.83 ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.826 -5.156  -27.573 1.00 15.18 ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -20.063 -5.664  -28.212 1.00 15.38 ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.879 -4.482  -28.746 1.00 14.90 ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.950 -3.453  -28.098 1.00 15.61 ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.880 -6.487  -27.196 1.00 15.59 ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -20.084 -7.679  -26.644 1.00 15.87 ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.203 -6.901  -27.835 1.00 14.99 ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.455 -8.570  -27.726 1.00 15.85 ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.516 -4.677  -29.866 1.00 14.74 ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.478 -3.701  -30.457 1.00 15.78 ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.733 -4.457  -30.860 1.00 15.48 ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.676 -5.681  -31.122 1.00 16.39 ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.899 -2.922  -31.650 1.00 18.36 ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.511 -3.819  -32.688 1.00 18.22 ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.755 -2.008  -31.245 1.00 21.24 ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.866 -3.753  -30.877 1.00 13.84 ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -26.153 -4.412  -31.185 1.00 14.43 ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.434 -4.393  -32.688 1.00 14.06 ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -26.088 -3.413  -33.342 1.00 15.92 ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.251 -3.702  -30.396 1.00 14.42 ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -27.028 -3.735  -28.885 1.00 14.63 ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.989 -2.851  -28.116 1.00 17.08 ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -27.112 -5.171  -28.352 1.00 15.78 ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -27.006 -5.462  -33.188 1.00 14.09 ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.361 -5.646  -34.607 1.00 13.93 ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.835 -5.226  -34.791 1.00 15.00 ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.729 -6.009  -34.484 1.00 13.74 ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -27.112 -7.081  -35.051 1.00 14.19 ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.365 -7.347  -36.517 1.00 18.07 ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -27.981 -6.479  -37.157 1.00 17.53 ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -27.034 -8.448  -37.004 1.00 17.64 ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -29.045 -3.999  -35.289 0.25 14.90 ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -29.063 -4.010  -35.291 0.25 15.73 ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.383 -3.401  -35.575 0.25 15.71 ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.426 -3.444  -35.487 0.25 16.99 ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.265 -4.376  -36.354 0.25 15.07 ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.280 -4.362  -36.369 0.25 15.83 ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.490 -4.394  -36.122 0.25 14.41 ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.514 -4.349  -36.200 0.25 14.95 ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.257 -2.142  -36.447 0.25 16.61 ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.342 -2.045  -36.109 0.25 19.49 ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.212 -1.146  -35.978 0.25 18.23 ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.914 -0.961  -35.134 0.25 22.20 ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.290 0.199   -36.687 0.25 18.39 ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.436 -0.624  -35.250 0.25 25.70 ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.767 1.242   -35.821 0.25 18.38 ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -28.126 0.454   -36.190 0.25 28.65 ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.466 1.791   -34.842 0.25 17.85 ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.601 0.296   -37.404 0.25 30.99 ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.721 1.434   -34.666 0.25 18.06 ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.331 -0.908  -37.876 0.25 32.66 ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.925 2.718   -34.077 0.25 17.83 ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.346 1.355   -38.153 0.25 31.63 ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.675 -5.120  -37.286 1.00 14.90 ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.452 -5.951  -38.241 1.00 16.34 ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.141 -7.108  -37.500 1.00 13.41 ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.147 -7.628  -37.984 1.00 14.39 ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.563 -6.365  -39.428 1.00 19.45 ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.423 -5.226  -40.425 1.00 26.70 ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.203 -4.256  -40.422 1.00 33.57 ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.443 -5.328  -41.307 1.00 37.75 ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.593 -7.567  -36.351 1.00 11.86 ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.176 -8.648  -35.554 1.00 11.53 ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.238 -8.147  -34.575 1.00 10.58 ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.859 -8.982  -33.937 1.00 11.21 ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -31.101 -9.429  -34.781 1.00 11.42 ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.519 -8.623  -33.756 1.00 12.78 ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -30.027 -9.955  -35.724 1.00 12.34 ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.292 -6.849  -34.322 1.00 10.75 ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.117 -6.275  -33.237 1.00 10.87 ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.593 -6.499  -33.528 1.00 10.61 ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -36.099 -6.190  -34.621 1.00 11.24 ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.827 -4.807  -33.070 1.00 11.33 ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.338 -6.864  -32.510 1.00 10.11 ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.793 -6.671  -32.508 1.00 10.36 ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -38.119 -5.237  -32.933 1.00 9.90  ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.430 -4.271  -32.573 1.00 9.81  ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.324 -7.038  -31.135 1.00 10.32 ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.798 -6.795  -31.005 1.00 12.15 ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.214 -5.701  -30.667 1.00 11.81 ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.594 -7.797  -31.308 1.00 12.97 ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.202 -5.086  -33.672 1.00 9.49  ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.585 -3.797  -34.306 1.00 9.24  ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -40.038 -2.736  -33.296 1.00 10.22 ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -40.190 -1.591  -33.713 1.00 10.52 ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.727 -4.004  -35.282 1.00 10.21 ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.826 -4.615  -34.610 1.00 12.73 ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.212 -3.060  -32.016 1.00 9.55  ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.537 -2.070  -30.961 1.00 9.74  ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.303 -1.569  -30.236 1.00 9.52  ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.465 -0.707  -29.373 1.00 10.61 ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.543 -2.710  -29.994 1.00 10.16 ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.935 -2.801  -30.554 1.00 10.92 ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.295 -3.139  -31.827 1.00 10.98 ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -44.161 -2.563  -29.831 1.00 12.15 ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.668 -3.063  -31.962 1.00 12.91 ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -45.218 -2.711  -30.755 1.00 11.05 ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.447 -2.225  -28.501 1.00 14.53 ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.556 -2.517  -30.367 1.00 13.59 ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.764 -2.016  -28.140 1.00 15.12 ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.793 -2.226  -29.047 1.00 14.67 ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -38.097 -2.076  -30.570 1.00 9.45  ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.888 -1.671  -29.850 1.00 9.95  ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.278 -0.407  -30.471 1.00 9.71  ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.270 -0.211  -31.673 1.00 11.24 ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.856 -2.797  -29.888 1.00 9.30  ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.281 -4.074  -29.163 1.00 11.40 ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -35.155 -5.100  -29.168 1.00 11.19 ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.749 -3.803  -27.742 1.00 12.32 ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.668 0.380   -29.594 1.00 9.52  ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.890 1.590   -29.970 1.00 10.62 ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.443 1.372   -29.562 1.00 11.02 ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -33.158 1.261   -28.331 1.00 11.79 ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.459 2.838   -29.296 1.00 11.26 ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.954 3.061   -29.640 1.00 11.45 ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.624 4.078   -29.667 1.00 12.39 ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.566 4.162   -28.889 1.00 13.44 ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.578 1.258   -30.563 1.00 13.04 ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -31.124 1.057   -30.330 1.00 14.08 ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.453 2.406   -30.520 1.00 14.82 ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.759 3.122   -31.515 1.00 16.38 ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.576 -0.017  -31.275 1.00 14.39 ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -31.103 -1.387  -30.877 1.00 17.61 ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -29.049 -0.002  -31.282 1.00 15.50 ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -30.994 -2.387  -31.893 1.00 22.32 ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.577 2.771   -29.617 1.00 14.04 ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.896 4.079   -29.642 1.00 14.88 ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.972 4.185   -30.866 1.00 15.37 ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.575 3.174   -31.457 1.00 15.66 ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -28.179 4.263   -28.339 1.00 15.81 ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -27.171 3.243   -28.192 1.00 15.57 ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.610 5.421   -31.220 1.00 17.51 ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.726 5.685   -32.372 1.00 18.60 ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.428 4.871   -32.286 1.00 17.62 ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.964 4.369   -33.339 1.00 19.41 ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.445 7.183   -32.384 1.00 22.07 ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.476 7.596   -33.460 1.00 25.05 ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.534 9.062   -33.701 1.00 26.14 ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -25.386 9.894   -32.461 1.00 29.58 ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.264 11.303  -32.888 1.00 31.18 ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.858 4.765   -31.094 1.00 18.05 ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.571 4.045   -30.874 1.00 17.69 ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.768 2.520   -30.836 1.00 17.92 ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.728 1.799   -30.756 1.00 17.16 ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.849 4.579   -29.638 1.00 17.96 ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.518 4.329   -28.293 1.00 19.48 ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.593 3.663   -28.236 1.00 18.72 ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.937 4.758   -27.283 1.00 22.59 ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -25.012 2.033   -30.937 1.00 14.81 ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.377 0.597   -30.921 1.00 14.62 ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.886 -0.028  -29.592 1.00 12.16 ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.682 -1.250  -29.550 1.00 12.98 ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.852 -0.093  -32.196 1.00 18.31 ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.415 0.519   -33.474 1.00 22.38 ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.952 -0.091  -34.779 1.00 31.33 ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.515 -0.198  -34.920 1.00 39.37 ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.812 -1.341  -34.901 1.00 53.58 ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.399 -2.527  -34.729 1.00 53.98 ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.498 -1.286  -35.064 1.00 56.81 ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.832 0.744   -28.521 1.00 11.82 ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.435 0.204   -27.198 1.00 12.65 ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.597 0.178   -26.197 1.00 13.06 ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.420 -0.402  -25.096 1.00 12.43 ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.279 1.034   -26.621 1.00 14.05 ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -22.041 0.898   -27.496 1.00 14.81 ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -21.197 -0.306  -27.172 1.00 17.61 ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.429 -0.109  -25.943 1.00 18.30 ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.735 -1.063  -25.329 1.00 18.24 ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.660 -2.269  -25.873 1.00 18.22 ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -19.022 -0.761  -24.270 1.00 19.71 ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.774 0.719   -26.516 1.00 11.75 ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.931 0.738   -25.594 1.00 12.40 ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -29.183 0.339   -26.360 1.00 11.88 ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.283 0.590   -27.580 1.00 11.24 ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -28.184 2.131   -25.000 1.00 14.44 ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.955 2.793   -24.435 1.00 17.51 ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -27.311 3.996   -23.598 1.00 20.50 ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.463 4.222   -23.209 1.00 22.90 ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -26.294 4.794   -23.320 1.00 25.28 ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -30.122 -0.289  -25.655 1.00 10.54 ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.416 -0.696  -26.265 1.00 10.66 ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.514 -0.525  -25.217 1.00 11.40 ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.293 -0.877  -24.060 1.00 11.13 ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.334 -2.105  -26.868 1.00 10.32 ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.902 -3.174  -25.859 1.00 9.95  ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.656 -2.465  -27.504 1.00 11.22 ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.658 -0.043  -25.646 1.00 10.48 ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.823 0.072   -24.755 1.00 10.26 ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -36.088 -0.236  -25.537 1.00 10.60 ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -36.132 -0.132  -26.801 1.00 10.28 ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.929 1.456   -24.106 1.00 11.91 ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -35.227 2.583   -25.077 1.00 13.06 ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -34.996 3.940   -24.403 1.00 16.13 ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.230 5.043   -25.309 1.00 19.62 ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.409 5.585   -25.538 1.00 17.89 ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.492 5.136   -24.935 1.00 20.03 ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.482 6.618   -26.389 1.00 20.50 ? 38  ARG   B NH2 1 
ATOM   283  N N   A MET   A 1 33  ? -37.112 -0.587  -24.765 0.31 9.57  ? 39  MET   B N   1 
ATOM   284  N N   B MET   A 1 33  ? -37.143 -0.634  -24.812 0.25 11.90 ? 39  MET   B N   1 
ATOM   285  C CA  A MET   A 1 33  ? -38.475 -0.816  -25.295 0.31 9.62  ? 39  MET   B CA  1 
ATOM   286  C CA  B MET   A 1 33  ? -38.453 -0.922  -25.462 0.25 13.25 ? 39  MET   B CA  1 
ATOM   287  C C   A MET   A 1 33  ? -39.093 0.535   -25.681 0.31 10.47 ? 39  MET   B C   1 
ATOM   288  C C   B MET   A 1 33  ? -39.224 0.388   -25.665 0.25 12.67 ? 39  MET   B C   1 
ATOM   289  O O   A MET   A 1 33  ? -39.160 1.444   -24.817 0.31 10.49 ? 39  MET   B O   1 
ATOM   290  O O   B MET   A 1 33  ? -39.586 1.054   -24.652 0.25 12.25 ? 39  MET   B O   1 
ATOM   291  C CB  A MET   A 1 33  ? -39.297 -1.515  -24.211 0.31 8.81  ? 39  MET   B CB  1 
ATOM   292  C CB  B MET   A 1 33  ? -39.332 -1.909  -24.683 0.25 15.69 ? 39  MET   B CB  1 
ATOM   293  C CG  A MET   A 1 33  ? -40.740 -1.826  -24.584 0.31 8.62  ? 39  MET   B CG  1 
ATOM   294  C CG  B MET   A 1 33  ? -40.618 -2.258  -25.466 0.25 18.00 ? 39  MET   B CG  1 
ATOM   295  S SD  A MET   A 1 33  ? -40.978 -2.617  -26.238 0.31 7.75  ? 39  MET   B SD  1 
ATOM   296  S SD  B MET   A 1 33  ? -41.462 -3.792  -24.986 0.25 23.87 ? 39  MET   B SD  1 
ATOM   297  C CE  A MET   A 1 33  ? -42.209 -3.852  -25.809 0.31 8.24  ? 39  MET   B CE  1 
ATOM   298  C CE  B MET   A 1 33  ? -42.609 -3.983  -26.346 0.25 22.25 ? 39  MET   B CE  1 
ATOM   299  N N   . GLY   A 1 34  ? -39.539 0.684   -26.928 1.00 11.20 ? 40  GLY   B N   1 
ATOM   300  C CA  . GLY   A 1 34  ? -40.269 1.905   -27.351 1.00 11.73 ? 40  GLY   B CA  1 
ATOM   301  C C   . GLY   A 1 34  ? -41.719 1.652   -27.067 1.00 14.01 ? 40  GLY   B C   1 
ATOM   302  O O   . GLY   A 1 34  ? -42.119 0.565   -26.806 1.00 15.23 ? 40  GLY   B O   1 
ATOM   303  N N   . ASP   A 1 35  ? -42.696 2.478   -26.887 0.56 16.55 ? 41  ASP   B N   1 
ATOM   304  C CA  . ASP   A 1 35  ? -43.777 1.467   -26.542 0.56 16.40 ? 41  ASP   B CA  1 
ATOM   305  C C   . ASP   A 1 35  ? -44.694 1.248   -27.748 0.56 15.50 ? 41  ASP   B C   1 
ATOM   306  O O   . ASP   A 1 35  ? -45.923 1.163   -27.594 0.56 14.08 ? 41  ASP   B O   1 
ATOM   307  C CB  . ASP   A 1 35  ? -44.380 1.635   -25.152 0.56 14.86 ? 41  ASP   B CB  1 
ATOM   308  C CG  . ASP   A 1 35  ? -44.017 0.563   -24.123 0.56 16.29 ? 41  ASP   B CG  1 
ATOM   309  O OD1 . ASP   A 1 35  ? -43.731 0.969   -23.010 0.56 17.80 ? 41  ASP   B OD1 1 
ATOM   310  O OD2 . ASP   A 1 35  ? -44.130 -0.682  -24.414 0.56 18.31 ? 41  ASP   B OD2 1 
ATOM   311  N N   . THR   A 1 36  ? -44.067 1.141   -28.922 1.00 14.17 ? 42  THR   B N   1 
ATOM   312  C CA  . THR   A 1 36  ? -44.810 1.191   -30.207 1.00 13.53 ? 42  THR   B CA  1 
ATOM   313  C C   . THR   A 1 36  ? -43.881 0.768   -31.321 1.00 10.86 ? 42  THR   B C   1 
ATOM   314  O O   . THR   A 1 36  ? -42.640 0.727   -31.118 1.00 11.08 ? 42  THR   B O   1 
ATOM   315  C CB  . THR   A 1 36  ? -45.288 2.638   -30.433 1.00 12.38 ? 42  THR   B CB  1 
ATOM   316  O OG1 . THR   A 1 36  ? -46.200 2.752   -31.529 1.00 13.36 ? 42  THR   B OG1 1 
ATOM   317  C CG2 . THR   A 1 36  ? -44.128 3.582   -30.688 1.00 13.45 ? 42  THR   B CG2 1 
ATOM   318  N N   . HIS   A 1 37  ? -44.454 0.497   -32.478 1.00 10.04 ? 43  HIS   B N   1 
ATOM   319  C CA  . HIS   A 1 37  ? -43.650 0.114   -33.662 1.00 10.06 ? 43  HIS   B CA  1 
ATOM   320  C C   . HIS   A 1 37  ? -42.670 1.236   -34.034 1.00 10.58 ? 43  HIS   B C   1 
ATOM   321  O O   . HIS   A 1 37  ? -43.105 2.382   -34.164 1.00 11.25 ? 43  HIS   B O   1 
ATOM   322  C CB  . HIS   A 1 37  ? -44.623 -0.285  -34.758 1.00 10.43 ? 43  HIS   B CB  1 
ATOM   323  C CG  . HIS   A 1 37  ? -43.999 -0.924  -35.937 1.00 10.19 ? 43  HIS   B CG  1 
ATOM   324  N ND1 . HIS   A 1 37  ? -43.180 -0.248  -36.839 1.00 9.93  ? 43  HIS   B ND1 1 
ATOM   325  C CD2 . HIS   A 1 37  ? -44.159 -2.169  -36.408 1.00 11.82 ? 43  HIS   B CD2 1 
ATOM   326  C CE1 . HIS   A 1 37  ? -42.851 -1.088  -37.796 1.00 9.67  ? 43  HIS   B CE1 1 
ATOM   327  N NE2 . HIS   A 1 37  ? -43.435 -2.296  -37.559 1.00 10.98 ? 43  HIS   B NE2 1 
ATOM   328  N N   . GLN   A 1 38  ? -41.398 0.893   -34.279 1.00 10.20 ? 44  GLN   B N   1 
ATOM   329  C CA  . GLN   A 1 38  ? -40.338 1.894   -34.530 1.00 10.25 ? 44  GLN   B CA  1 
ATOM   330  C C   . GLN   A 1 38  ? -40.156 2.187   -36.027 1.00 10.57 ? 44  GLN   B C   1 
ATOM   331  O O   . GLN   A 1 38  ? -39.134 2.812   -36.409 1.00 11.11 ? 44  GLN   B O   1 
ATOM   332  C CB  . GLN   A 1 38  ? -39.071 1.447   -33.811 1.00 10.37 ? 44  GLN   B CB  1 
ATOM   333  C CG  . GLN   A 1 38  ? -39.218 1.470   -32.289 1.00 10.41 ? 44  GLN   B CG  1 
ATOM   334  C CD  . GLN   A 1 38  ? -39.697 2.784   -31.751 1.00 10.58 ? 44  GLN   B CD  1 
ATOM   335  O OE1 . GLN   A 1 38  ? -40.692 2.898   -31.003 1.00 13.66 ? 44  GLN   B OE1 1 
ATOM   336  N NE2 . GLN   A 1 38  ? -39.030 3.828   -32.142 1.00 9.56  ? 44  GLN   B NE2 1 
ATOM   337  N N   . ASN   A 1 39  ? -41.126 1.832   -36.866 1.00 9.70  ? 45  ASN   B N   1 
ATOM   338  C CA  . ASN   A 1 39  ? -41.182 2.337   -38.270 1.00 10.22 ? 45  ASN   B CA  1 
ATOM   339  C C   . ASN   A 1 39  ? -40.100 1.687   -39.127 1.00 10.81 ? 45  ASN   B C   1 
ATOM   340  O O   . ASN   A 1 39  ? -39.598 2.336   -40.079 1.00 11.65 ? 45  ASN   B O   1 
ATOM   341  C CB  . ASN   A 1 39  ? -41.211 3.871   -38.361 1.00 11.64 ? 45  ASN   B CB  1 
ATOM   342  C CG  . ASN   A 1 39  ? -41.842 4.334   -39.669 1.00 11.30 ? 45  ASN   B CG  1 
ATOM   343  O OD1 . ASN   A 1 39  ? -42.693 3.644   -40.246 1.00 11.30 ? 45  ASN   B OD1 1 
ATOM   344  N ND2 . ASN   A 1 39  ? -41.410 5.467   -40.210 1.00 11.52 ? 45  ASN   B ND2 1 
ATOM   345  N N   . VAL   A 1 40  ? -39.736 0.462   -38.826 1.00 12.08 ? 46  VAL   B N   1 
ATOM   346  C CA  . VAL   A 1 40  ? -38.762 -0.347  -39.614 1.00 12.54 ? 46  VAL   B CA  1 
ATOM   347  C C   . VAL   A 1 40  ? -39.544 -1.365  -40.464 1.00 11.82 ? 46  VAL   B C   1 
ATOM   348  O O   . VAL   A 1 40  ? -40.630 -1.789  -40.080 1.00 12.49 ? 46  VAL   B O   1 
ATOM   349  C CB  . VAL   A 1 40  ? -37.730 -1.024  -38.693 1.00 13.12 ? 46  VAL   B CB  1 
ATOM   350  C CG1 . VAL   A 1 40  ? -36.787 -0.012  -38.038 1.00 16.96 ? 46  VAL   B CG1 1 
ATOM   351  C CG2 . VAL   A 1 40  ? -38.365 -1.948  -37.680 1.00 14.86 ? 46  VAL   B CG2 1 
ATOM   352  N N   . SER   A 1 41  ? -38.912 -1.850  -41.529 1.00 13.85 ? 47  SER   B N   1 
ATOM   353  C CA  . SER   A 1 41  ? -39.472 -2.960  -42.322 1.00 14.11 ? 47  SER   B CA  1 
ATOM   354  C C   . SER   A 1 41  ? -39.280 -4.277  -41.586 1.00 13.12 ? 47  SER   B C   1 
ATOM   355  O O   . SER   A 1 41  ? -38.313 -4.414  -40.816 1.00 13.17 ? 47  SER   B O   1 
ATOM   356  C CB  . SER   A 1 41  ? -38.879 -3.018  -43.731 1.00 16.38 ? 47  SER   B CB  1 
ATOM   357  O OG  . SER   A 1 41  ? -37.491 -3.209  -43.677 1.00 17.91 ? 47  SER   B OG  1 
ATOM   358  N N   . ASP   A 1 42  ? -40.098 -5.266  -41.886 1.00 12.19 ? 48  ASP   B N   1 
ATOM   359  C CA  . ASP   A 1 42  ? -39.968 -6.601  -41.269 1.00 13.09 ? 48  ASP   B CA  1 
ATOM   360  C C   . ASP   A 1 42  ? -38.893 -7.362  -42.053 1.00 14.14 ? 48  ASP   B C   1 
ATOM   361  O O   . ASP   A 1 42  ? -38.643 -7.064  -43.269 1.00 15.86 ? 48  ASP   B O   1 
ATOM   362  C CB  . ASP   A 1 42  ? -41.294 -7.352  -41.229 1.00 15.49 ? 48  ASP   B CB  1 
ATOM   363  C CG  . ASP   A 1 42  ? -41.236 -8.577  -40.346 1.00 16.91 ? 48  ASP   B CG  1 
ATOM   364  O OD1 . ASP   A 1 42  ? -40.495 -8.573  -39.307 1.00 14.90 ? 48  ASP   B OD1 1 
ATOM   365  O OD2 . ASP   A 1 42  ? -41.820 -9.588  -40.773 1.00 24.34 ? 48  ASP   B OD2 1 
ATOM   366  N N   . ASN   A 1 43  ? -38.249 -8.331  -41.382 1.00 13.22 ? 49  ASN   B N   1 
ATOM   367  C CA  . ASN   A 1 43  ? -37.283 -9.234  -42.060 1.00 13.75 ? 49  ASN   B CA  1 
ATOM   368  C C   . ASN   A 1 43  ? -37.230 -10.541 -41.276 1.00 13.77 ? 49  ASN   B C   1 
ATOM   369  O O   . ASN   A 1 43  ? -37.777 -10.617 -40.152 1.00 15.31 ? 49  ASN   B O   1 
ATOM   370  C CB  . ASN   A 1 43  ? -35.943 -8.555  -42.271 1.00 13.50 ? 49  ASN   B CB  1 
ATOM   371  C CG  . ASN   A 1 43  ? -35.210 -8.348  -40.966 1.00 13.57 ? 49  ASN   B CG  1 
ATOM   372  O OD1 . ASN   A 1 43  ? -35.034 -9.303  -40.207 1.00 16.24 ? 49  ASN   B OD1 1 
ATOM   373  N ND2 . ASN   A 1 43  ? -34.799 -7.152  -40.644 1.00 14.61 ? 49  ASN   B ND2 1 
ATOM   374  N N   . LYS   A 1 44  ? -36.621 -11.557 -41.871 1.00 15.94 ? 50  LYS   B N   1 
ATOM   375  C CA  . LYS   A 1 44  ? -36.653 -12.905 -41.247 1.00 16.72 ? 50  LYS   B CA  1 
ATOM   376  C C   . LYS   A 1 44  ? -35.728 -12.982 -40.019 1.00 15.09 ? 50  LYS   B C   1 
ATOM   377  O O   . LYS   A 1 44  ? -35.919 -13.952 -39.244 1.00 15.50 ? 50  LYS   B O   1 
ATOM   378  C CB  . LYS   A 1 44  ? -36.196 -13.919 -42.297 1.00 19.81 ? 50  LYS   B CB  1 
ATOM   379  C CG  . LYS   A 1 44  ? -34.742 -13.812 -42.682 1.00 23.73 ? 50  LYS   B CG  1 
ATOM   380  C CD  . LYS   A 1 44  ? -34.319 -14.862 -43.712 1.00 33.28 ? 50  LYS   B CD  1 
ATOM   381  C CE  . LYS   A 1 44  ? -32.823 -14.829 -43.933 1.00 37.81 ? 50  LYS   B CE  1 
ATOM   382  N NZ  . LYS   A 1 44  ? -32.414 -15.864 -44.911 1.00 42.99 ? 50  LYS   B NZ  1 
ATOM   383  N N   . GLU   A 1 45  ? -34.834 -12.017 -39.811 1.00 13.84 ? 51  GLU   B N   1 
ATOM   384  C CA  . GLU   A 1 45  ? -33.892 -12.014 -38.653 1.00 14.58 ? 51  GLU   B CA  1 
ATOM   385  C C   . GLU   A 1 45  ? -34.630 -11.519 -37.383 1.00 14.26 ? 51  GLU   B C   1 
ATOM   386  O O   . GLU   A 1 45  ? -34.177 -11.842 -36.270 1.00 14.41 ? 51  GLU   B O   1 
ATOM   387  C CB  . GLU   A 1 45  ? -32.665 -11.162 -38.923 1.00 17.31 ? 51  GLU   B CB  1 
ATOM   388  C CG  . GLU   A 1 45  ? -31.792 -11.641 -40.080 1.00 21.70 ? 51  GLU   B CG  1 
ATOM   389  C CD  . GLU   A 1 45  ? -30.537 -10.808 -40.290 1.00 30.58 ? 51  GLU   B CD  1 
ATOM   390  O OE1 . GLU   A 1 45  ? -30.369 -10.280 -41.418 1.00 45.10 ? 51  GLU   B OE1 1 
ATOM   391  O OE2 . GLU   A 1 45  ? -29.715 -10.664 -39.345 1.00 36.22 ? 51  GLU   B OE2 1 
ATOM   392  N N   . ARG   A 1 46  ? -35.655 -10.683 -37.507 1.00 12.80 ? 52  ARG   B N   1 
ATOM   393  C CA  . ARG   A 1 46  ? -36.203 -9.966  -36.338 1.00 12.69 ? 52  ARG   B CA  1 
ATOM   394  C C   . ARG   A 1 46  ? -36.936 -10.913 -35.407 1.00 12.16 ? 52  ARG   B C   1 
ATOM   395  O O   . ARG   A 1 46  ? -37.796 -11.713 -35.821 1.00 12.21 ? 52  ARG   B O   1 
ATOM   396  C CB  . ARG   A 1 46  ? -37.196 -8.862  -36.707 1.00 11.38 ? 52  ARG   B CB  1 
ATOM   397  C CG  . ARG   A 1 46  ? -36.627 -7.723  -37.531 1.00 12.81 ? 52  ARG   B CG  1 
ATOM   398  C CD  . ARG   A 1 46  ? -37.565 -6.497  -37.487 1.00 12.22 ? 52  ARG   B CD  1 
ATOM   399  N NE  . ARG   A 1 46  ? -37.062 -5.467  -38.395 1.00 12.46 ? 52  ARG   B NE  1 
ATOM   400  C CZ  . ARG   A 1 46  ? -35.971 -4.756  -38.217 1.00 12.17 ? 52  ARG   B CZ  1 
ATOM   401  N NH1 . ARG   A 1 46  ? -35.290 -4.806  -37.069 1.00 11.93 ? 52  ARG   B NH1 1 
ATOM   402  N NH2 . ARG   A 1 46  ? -35.513 -3.932  -39.162 1.00 14.04 ? 52  ARG   B NH2 1 
ATOM   403  N N   . PHE   A 1 47  ? -36.655 -10.851 -34.108 1.00 10.94 ? 53  PHE   B N   1 
ATOM   404  C CA  . PHE   A 1 47  ? -37.470 -11.571 -33.126 1.00 10.67 ? 53  PHE   B CA  1 
ATOM   405  C C   . PHE   A 1 47  ? -38.892 -11.003 -33.142 1.00 12.16 ? 53  PHE   B C   1 
ATOM   406  O O   . PHE   A 1 47  ? -39.033 -9.788  -32.928 1.00 12.82 ? 53  PHE   B O   1 
ATOM   407  C CB  . PHE   A 1 47  ? -36.876 -11.463 -31.729 1.00 10.75 ? 53  PHE   B CB  1 
ATOM   408  C CG  . PHE   A 1 47  ? -35.645 -12.299 -31.547 1.00 11.06 ? 53  PHE   B CG  1 
ATOM   409  C CD1 . PHE   A 1 47  ? -35.747 -13.664 -31.290 1.00 11.50 ? 53  PHE   B CD1 1 
ATOM   410  C CD2 . PHE   A 1 47  ? -34.383 -11.716 -31.586 1.00 12.21 ? 53  PHE   B CD2 1 
ATOM   411  C CE1 . PHE   A 1 47  ? -34.595 -14.435 -31.116 1.00 12.26 ? 53  PHE   B CE1 1 
ATOM   412  C CE2 . PHE   A 1 47  ? -33.250 -12.496 -31.375 1.00 11.61 ? 53  PHE   B CE2 1 
ATOM   413  C CZ  . PHE   A 1 47  ? -33.372 -13.850 -31.196 1.00 11.57 ? 53  PHE   B CZ  1 
ATOM   414  N N   . SER   A 1 48  ? -39.899 -11.835 -33.374 1.00 12.23 ? 54  SER   B N   1 
ATOM   415  C CA  . SER   A 1 48  ? -41.274 -11.319 -33.553 1.00 12.92 ? 54  SER   B CA  1 
ATOM   416  C C   . SER   A 1 48  ? -42.037 -11.193 -32.230 1.00 12.67 ? 54  SER   B C   1 
ATOM   417  O O   . SER   A 1 48  ? -42.802 -10.222 -32.080 1.00 15.03 ? 54  SER   B O   1 
ATOM   418  C CB  . SER   A 1 48  ? -42.035 -12.190 -34.533 1.00 13.07 ? 54  SER   B CB  1 
ATOM   419  O OG  . SER   A 1 48  ? -42.174 -13.510 -34.076 1.00 13.19 ? 54  SER   B OG  1 
ATOM   420  N N   . ASN   A 1 49  ? -41.923 -12.119 -31.306 1.00 11.55 ? 55  ASN   B N   1 
ATOM   421  C CA  . ASN   A 1 49  ? -42.876 -12.244 -30.168 1.00 12.18 ? 55  ASN   B CA  1 
ATOM   422  C C   . ASN   A 1 49  ? -42.423 -11.476 -28.938 1.00 11.11 ? 55  ASN   B C   1 
ATOM   423  O O   . ASN   A 1 49  ? -43.226 -11.213 -28.034 1.00 11.51 ? 55  ASN   B O   1 
ATOM   424  C CB  . ASN   A 1 49  ? -43.138 -13.695 -29.772 1.00 12.82 ? 55  ASN   B CB  1 
ATOM   425  C CG  . ASN   A 1 49  ? -44.005 -14.453 -30.775 1.00 15.92 ? 55  ASN   B CG  1 
ATOM   426  O OD1 . ASN   A 1 49  ? -43.790 -14.366 -31.991 1.00 15.66 ? 55  ASN   B OD1 1 
ATOM   427  N ND2 . ASN   A 1 49  ? -44.907 -15.268 -30.230 1.00 16.36 ? 55  ASN   B ND2 1 
ATOM   428  N N   . TYR   A 1 50  ? -41.125 -11.185 -28.872 1.00 10.18 ? 56  TYR   B N   1 
ATOM   429  C CA  . TYR   A 1 50  ? -40.509 -10.717 -27.621 1.00 9.98  ? 56  TYR   B CA  1 
ATOM   430  C C   . TYR   A 1 50  ? -39.565 -9.570  -27.940 1.00 9.76  ? 56  TYR   B C   1 
ATOM   431  O O   . TYR   A 1 50  ? -38.977 -9.513  -29.027 1.00 10.61 ? 56  TYR   B O   1 
ATOM   432  C CB  . TYR   A 1 50  ? -39.711 -11.846 -26.950 1.00 10.28 ? 56  TYR   B CB  1 
ATOM   433  C CG  . TYR   A 1 50  ? -40.427 -13.171 -26.824 1.00 11.08 ? 56  TYR   B CG  1 
ATOM   434  C CD1 . TYR   A 1 50  ? -41.495 -13.350 -25.958 1.00 13.00 ? 56  TYR   B CD1 1 
ATOM   435  C CD2 . TYR   A 1 50  ? -40.063 -14.261 -27.600 1.00 12.06 ? 56  TYR   B CD2 1 
ATOM   436  C CE1 . TYR   A 1 50  ? -42.194 -14.561 -25.890 1.00 14.11 ? 56  TYR   B CE1 1 
ATOM   437  C CE2 . TYR   A 1 50  ? -40.766 -15.457 -27.570 1.00 12.78 ? 56  TYR   B CE2 1 
ATOM   438  C CZ  . TYR   A 1 50  ? -41.799 -15.630 -26.668 1.00 13.26 ? 56  TYR   B CZ  1 
ATOM   439  O OH  . TYR   A 1 50  ? -42.448 -16.855 -26.586 1.00 14.19 ? 56  TYR   B OH  1 
ATOM   440  N N   . PRO   A 1 51  ? -39.277 -8.684  -26.951 1.00 9.26  ? 57  PRO   B N   1 
ATOM   441  C CA  . PRO   A 1 51  ? -38.439 -7.506  -27.186 1.00 10.06 ? 57  PRO   B CA  1 
ATOM   442  C C   . PRO   A 1 51  ? -36.921 -7.807  -27.102 1.00 9.60  ? 57  PRO   B C   1 
ATOM   443  O O   . PRO   A 1 51  ? -36.201 -7.310  -26.263 1.00 10.46 ? 57  PRO   B O   1 
ATOM   444  C CB  . PRO   A 1 51  ? -38.859 -6.493  -26.104 1.00 11.77 ? 57  PRO   B CB  1 
ATOM   445  C CG  . PRO   A 1 51  ? -39.810 -7.202  -25.209 1.00 11.82 ? 57  PRO   B CG  1 
ATOM   446  C CD  . PRO   A 1 51  ? -39.991 -8.619  -25.677 1.00 10.88 ? 57  PRO   B CD  1 
ATOM   447  N N   . MET   A 1 52  ? -36.473 -8.662  -28.019 1.00 9.60  ? 58  MET   B N   1 
ATOM   448  C CA  . MET   A 1 52  ? -35.115 -9.266  -28.085 1.00 9.28  ? 58  MET   B CA  1 
ATOM   449  C C   . MET   A 1 52  ? -34.288 -8.703  -29.247 1.00 9.12  ? 58  MET   B C   1 
ATOM   450  O O   . MET   A 1 52  ? -34.815 -8.245  -30.288 1.00 9.78  ? 58  MET   B O   1 
ATOM   451  C CB  . MET   A 1 52  ? -35.245 -10.790 -28.252 1.00 9.64  ? 58  MET   B CB  1 
ATOM   452  C CG  . MET   A 1 52  ? -35.813 -11.463 -27.051 1.00 9.55  ? 58  MET   B CG  1 
ATOM   453  S SD  . MET   A 1 52  ? -36.286 -13.181 -27.464 1.00 11.20 ? 58  MET   B SD  1 
ATOM   454  C CE  . MET   A 1 52  ? -36.937 -13.806 -25.924 1.00 11.53 ? 58  MET   B CE  1 
ATOM   455  N N   . VAL   A 1 53  ? -32.987 -8.734  -29.063 1.00 9.43  ? 59  VAL   B N   1 
ATOM   456  C CA  . VAL   A 1 53  ? -31.989 -8.308  -30.068 1.00 9.84  ? 59  VAL   B CA  1 
ATOM   457  C C   . VAL   A 1 53  ? -30.696 -9.086  -29.841 1.00 10.18 ? 59  VAL   B C   1 
ATOM   458  O O   . VAL   A 1 53  ? -30.414 -9.477  -28.701 1.00 10.18 ? 59  VAL   B O   1 
ATOM   459  C CB  . VAL   A 1 53  ? -31.785 -6.776  -30.039 1.00 10.52 ? 59  VAL   B CB  1 
ATOM   460  C CG1 . VAL   A 1 53  ? -31.219 -6.256  -28.720 1.00 10.44 ? 59  VAL   B CG1 1 
ATOM   461  C CG2 . VAL   A 1 53  ? -30.895 -6.286  -31.191 1.00 10.27 ? 59  VAL   B CG2 1 
ATOM   462  N N   . LEU   A 1 54  ? -29.932 -9.266  -30.906 1.00 10.38 ? 60  LEU   B N   1 
ATOM   463  C CA  . LEU   A 1 54  ? -28.597 -9.910  -30.828 1.00 9.95  ? 60  LEU   B CA  1 
ATOM   464  C C   . LEU   A 1 54  ? -27.479 -8.902  -30.935 1.00 10.31 ? 60  LEU   B C   1 
ATOM   465  O O   . LEU   A 1 54  ? -27.593 -7.835  -31.633 1.00 11.50 ? 60  LEU   B O   1 
ATOM   466  C CB  . LEU   A 1 54  ? -28.418 -10.972 -31.911 1.00 10.37 ? 60  LEU   B CB  1 
ATOM   467  C CG  . LEU   A 1 54  ? -29.480 -12.048 -31.931 1.00 11.31 ? 60  LEU   B CG  1 
ATOM   468  C CD1 . LEU   A 1 54  ? -29.177 -13.135 -32.936 1.00 13.28 ? 60  LEU   B CD1 1 
ATOM   469  C CD2 . LEU   A 1 54  ? -29.687 -12.693 -30.570 1.00 11.32 ? 60  LEU   B CD2 1 
ATOM   470  N N   . GLY   A 1 55  ? -26.333 -9.237  -30.349 1.00 11.04 ? 61  GLY   B N   1 
ATOM   471  C CA  . GLY   A 1 55  ? -25.087 -8.521  -30.704 1.00 11.55 ? 61  GLY   B CA  1 
ATOM   472  C C   . GLY   A 1 55  ? -24.653 -8.855  -32.131 1.00 12.18 ? 61  GLY   B C   1 
ATOM   473  O O   . GLY   A 1 55  ? -24.974 -9.928  -32.619 1.00 12.50 ? 61  GLY   B O   1 
ATOM   474  N N   . ALA   A 1 56  ? -23.912 -7.959  -32.742 1.00 12.98 ? 62  ALA   B N   1 
ATOM   475  C CA  . ALA   A 1 56  ? -23.355 -8.149  -34.102 1.00 14.52 ? 62  ALA   B CA  1 
ATOM   476  C C   . ALA   A 1 56  ? -22.228 -9.185  -34.102 1.00 14.99 ? 62  ALA   B C   1 
ATOM   477  O O   . ALA   A 1 56  ? -22.069 -9.893  -35.109 1.00 18.57 ? 62  ALA   B O   1 
ATOM   478  C CB  . ALA   A 1 56  ? -22.883 -6.828  -34.609 1.00 16.00 ? 62  ALA   B CB  1 
ATOM   479  N N   . GLN   A 1 57  ? -21.504 -9.287  -33.008 1.00 14.18 ? 63  GLN   B N   1 
ATOM   480  C CA  . GLN   A 1 57  ? -20.296 -10.141 -32.980 1.00 15.03 ? 63  GLN   B CA  1 
ATOM   481  C C   . GLN   A 1 57  ? -20.702 -11.618 -32.984 1.00 15.58 ? 63  GLN   B C   1 
ATOM   482  O O   . GLN   A 1 57  ? -21.727 -12.009 -32.385 1.00 15.32 ? 63  GLN   B O   1 
ATOM   483  C CB  . GLN   A 1 57  ? -19.416 -9.781  -31.783 1.00 16.77 ? 63  GLN   B CB  1 
ATOM   484  C CG  . GLN   A 1 57  ? -18.768 -8.412  -31.871 1.00 18.62 ? 63  GLN   B CG  1 
ATOM   485  C CD  . GLN   A 1 57  ? -19.768 -7.278  -31.766 1.00 18.72 ? 63  GLN   B CD  1 
ATOM   486  O OE1 . GLN   A 1 57  ? -20.719 -7.347  -30.994 1.00 17.00 ? 63  GLN   B OE1 1 
ATOM   487  N NE2 . GLN   A 1 57  ? -19.540 -6.198  -32.489 1.00 20.96 ? 63  GLN   B NE2 1 
ATOM   488  N N   . ARG   A 1 58  ? -19.947 -12.464 -33.701 1.00 15.27 ? 64  ARG   B N   1 
ATOM   489  C CA  . ARG   A 1 58  ? -20.103 -13.918 -33.705 1.00 15.82 ? 64  ARG   B CA  1 
ATOM   490  C C   . ARG   A 1 58  ? -18.828 -14.551 -33.131 1.00 14.66 ? 64  ARG   B C   1 
ATOM   491  O O   . ARG   A 1 58  ? -17.722 -14.114 -33.481 1.00 18.20 ? 64  ARG   B O   1 
ATOM   492  C CB  . ARG   A 1 58  ? -20.276 -14.501 -35.121 1.00 19.44 ? 64  ARG   B CB  1 
ATOM   493  C CG  . ARG   A 1 58  ? -21.623 -14.302 -35.817 1.00 27.49 ? 64  ARG   B CG  1 
ATOM   494  C CD  . ARG   A 1 58  ? -22.231 -12.930 -35.666 1.00 29.16 ? 64  ARG   B CD  1 
ATOM   495  N NE  . ARG   A 1 58  ? -23.070 -12.244 -36.668 1.00 34.30 ? 64  ARG   B NE  1 
ATOM   496  C CZ  . ARG   A 1 58  ? -23.753 -12.773 -37.679 1.00 32.28 ? 64  ARG   B CZ  1 
ATOM   497  N NH1 . ARG   A 1 58  ? -24.466 -11.965 -38.441 1.00 38.32 ? 64  ARG   B NH1 1 
ATOM   498  N NH2 . ARG   A 1 58  ? -23.726 -14.057 -37.953 1.00 34.11 ? 64  ARG   B NH2 1 
ATOM   499  N N   . PHE   A 1 59  ? -18.986 -15.521 -32.239 1.00 14.59 ? 65  PHE   B N   1 
ATOM   500  C CA  . PHE   A 1 59  ? -17.851 -16.184 -31.538 1.00 15.37 ? 65  PHE   B CA  1 
ATOM   501  C C   . PHE   A 1 59  ? -17.903 -17.676 -31.822 1.00 13.98 ? 65  PHE   B C   1 
ATOM   502  O O   . PHE   A 1 59  ? -18.935 -18.326 -31.593 1.00 12.94 ? 65  PHE   B O   1 
ATOM   503  C CB  . PHE   A 1 59  ? -17.951 -15.923 -30.027 1.00 17.36 ? 65  PHE   B CB  1 
ATOM   504  C CG  . PHE   A 1 59  ? -17.959 -14.448 -29.682 1.00 17.64 ? 65  PHE   B CG  1 
ATOM   505  C CD1 . PHE   A 1 59  ? -16.946 -13.625 -30.154 1.00 20.82 ? 65  PHE   B CD1 1 
ATOM   506  C CD2 . PHE   A 1 59  ? -18.951 -13.870 -28.927 1.00 26.63 ? 65  PHE   B CD2 1 
ATOM   507  C CE1 . PHE   A 1 59  ? -16.893 -12.271 -29.851 1.00 24.83 ? 65  PHE   B CE1 1 
ATOM   508  C CE2 . PHE   A 1 59  ? -18.899 -12.506 -28.640 1.00 20.88 ? 65  PHE   B CE2 1 
ATOM   509  C CZ  . PHE   A 1 59  ? -17.909 -11.715 -29.132 1.00 20.68 ? 65  PHE   B CZ  1 
ATOM   510  N N   A SER   A 1 60  ? -16.797 -18.245 -32.321 0.25 14.18 ? 66  SER   B N   1 
ATOM   511  N N   B SER   A 1 60  ? -16.792 -18.229 -32.325 0.25 14.68 ? 66  SER   B N   1 
ATOM   512  C CA  A SER   A 1 60  ? -16.695 -19.704 -32.606 0.25 14.49 ? 66  SER   B CA  1 
ATOM   513  C CA  B SER   A 1 60  ? -16.656 -19.677 -32.636 0.25 15.38 ? 66  SER   B CA  1 
ATOM   514  C C   A SER   A 1 60  ? -15.458 -20.318 -31.926 0.25 14.27 ? 66  SER   B C   1 
ATOM   515  C C   B SER   A 1 60  ? -15.388 -20.257 -32.008 0.25 15.13 ? 66  SER   B C   1 
ATOM   516  O O   A SER   A 1 60  ? -15.277 -21.555 -32.028 0.25 14.24 ? 66  SER   B O   1 
ATOM   517  O O   B SER   A 1 60  ? -14.997 -21.363 -32.404 0.25 14.70 ? 66  SER   B O   1 
ATOM   518  C CB  A SER   A 1 60  ? -16.725 -19.981 -34.100 0.25 14.03 ? 66  SER   B CB  1 
ATOM   519  C CB  B SER   A 1 60  ? -16.638 -19.919 -34.115 0.25 15.14 ? 66  SER   B CB  1 
ATOM   520  O OG  A SER   A 1 60  ? -18.045 -19.793 -34.633 0.25 14.03 ? 66  SER   B OG  1 
ATOM   521  O OG  B SER   A 1 60  ? -15.625 -19.139 -34.717 0.25 15.95 ? 66  SER   B OG  1 
ATOM   522  N N   A SER   A 1 61  ? -14.672 -19.503 -31.215 0.25 14.13 ? 67  SER   B N   1 
ATOM   523  N N   B SER   A 1 61  ? -14.772 -19.536 -31.076 0.25 15.40 ? 67  SER   B N   1 
ATOM   524  C CA  A SER   A 1 61  ? -13.471 -19.939 -30.459 0.25 14.63 ? 67  SER   B CA  1 
ATOM   525  C CA  B SER   A 1 61  ? -13.507 -19.949 -30.427 0.25 16.17 ? 67  SER   B CA  1 
ATOM   526  C C   A SER   A 1 61  ? -13.206 -18.981 -29.298 0.25 15.90 ? 67  SER   B C   1 
ATOM   527  C C   B SER   A 1 61  ? -13.105 -18.927 -29.372 0.25 16.77 ? 67  SER   B C   1 
ATOM   528  O O   A SER   A 1 61  ? -13.875 -17.948 -29.236 0.25 15.96 ? 67  SER   B O   1 
ATOM   529  O O   B SER   A 1 61  ? -13.503 -17.755 -29.524 0.25 16.04 ? 67  SER   B O   1 
ATOM   530  C CB  A SER   A 1 61  ? -12.267 -20.047 -31.378 0.25 14.80 ? 67  SER   B CB  1 
ATOM   531  C CB  B SER   A 1 61  ? -12.420 -20.096 -31.455 0.25 17.35 ? 67  SER   B CB  1 
ATOM   532  O OG  A SER   A 1 61  ? -11.839 -18.776 -31.837 0.25 14.87 ? 67  SER   B OG  1 
ATOM   533  O OG  B SER   A 1 61  ? -11.241 -20.580 -30.838 0.25 19.65 ? 67  SER   B OG  1 
ATOM   534  N N   . GLY   A 1 62  ? -12.287 -19.361 -28.408 1.00 16.47 ? 68  GLY   B N   1 
ATOM   535  C CA  . GLY   A 1 62  ? -11.669 -18.431 -27.452 1.00 17.75 ? 68  GLY   B CA  1 
ATOM   536  C C   . GLY   A 1 62  ? -12.539 -18.115 -26.253 1.00 15.34 ? 68  GLY   B C   1 
ATOM   537  O O   . GLY   A 1 62  ? -13.535 -18.796 -25.996 1.00 15.67 ? 68  GLY   B O   1 
ATOM   538  N N   . LYS   A 1 63  ? -12.039 -17.150 -25.521 1.00 14.44 ? 69  LYS   B N   1 
ATOM   539  C CA  . LYS   A 1 63  ? -12.633 -16.644 -24.287 1.00 14.56 ? 69  LYS   B CA  1 
ATOM   540  C C   . LYS   A 1 63  ? -13.061 -15.211 -24.570 1.00 14.16 ? 69  LYS   B C   1 
ATOM   541  O O   . LYS   A 1 63  ? -12.266 -14.403 -25.049 1.00 15.94 ? 69  LYS   B O   1 
ATOM   542  C CB  . LYS   A 1 63  ? -11.641 -16.782 -23.131 1.00 15.60 ? 69  LYS   B CB  1 
ATOM   543  C CG  . LYS   A 1 63  ? -11.235 -18.217 -22.813 1.00 16.80 ? 69  LYS   B CG  1 
ATOM   544  C CD  . LYS   A 1 63  ? -10.120 -18.271 -21.732 1.00 20.05 ? 69  LYS   B CD  1 
ATOM   545  C CE  . LYS   A 1 63  ? -9.719  -19.673 -21.318 1.00 22.30 ? 69  LYS   B CE  1 
ATOM   546  N NZ  . LYS   A 1 63  ? -8.598  -19.631 -20.345 1.00 25.93 ? 69  LYS   B NZ  1 
ATOM   547  N N   . MET   A 1 64  ? -14.279 -14.855 -24.141 1.00 13.57 ? 70  MET   B N   1 
ATOM   548  C CA  . MET   A 1 64  ? -14.906 -13.521 -24.325 1.00 13.24 ? 70  MET   B CA  1 
ATOM   549  C C   . MET   A 1 64  ? -15.560 -13.088 -23.010 1.00 12.48 ? 70  MET   B C   1 
ATOM   550  O O   . MET   A 1 64  ? -16.132 -13.909 -22.324 1.00 14.06 ? 70  MET   B O   1 
ATOM   551  C CB  . MET   A 1 64  ? -16.033 -13.618 -25.347 1.00 13.22 ? 70  MET   B CB  1 
ATOM   552  C CG  . MET   A 1 64  ? -15.611 -13.832 -26.761 1.00 14.93 ? 70  MET   B CG  1 
ATOM   553  S SD  . MET   A 1 64  ? -14.813 -15.377 -27.299 1.00 17.67 ? 70  MET   B SD  1 
ATOM   554  C CE  . MET   A 1 64  ? -16.033 -16.617 -26.893 1.00 16.02 ? 70  MET   B CE  1 
ATOM   555  N N   . TYR   A 1 65  ? -15.523 -11.821 -22.697 1.00 12.60 ? 71  TYR   B N   1 
ATOM   556  C CA  . TYR   A 1 65  ? -16.154 -11.227 -21.495 1.00 12.38 ? 71  TYR   B CA  1 
ATOM   557  C C   . TYR   A 1 65  ? -16.778 -9.916  -21.911 1.00 13.06 ? 71  TYR   B C   1 
ATOM   558  O O   . TYR   A 1 65  ? -16.115 -9.101  -22.617 1.00 14.26 ? 71  TYR   B O   1 
ATOM   559  C CB  . TYR   A 1 65  ? -15.099 -11.054 -20.387 1.00 13.51 ? 71  TYR   B CB  1 
ATOM   560  C CG  . TYR   A 1 65  ? -15.632 -10.441 -19.118 1.00 13.54 ? 71  TYR   B CG  1 
ATOM   561  C CD1 . TYR   A 1 65  ? -16.376 -11.183 -18.220 1.00 13.31 ? 71  TYR   B CD1 1 
ATOM   562  C CD2 . TYR   A 1 65  ? -15.448 -9.099  -18.861 1.00 13.73 ? 71  TYR   B CD2 1 
ATOM   563  C CE1 . TYR   A 1 65  ? -16.893 -10.622 -17.066 1.00 13.86 ? 71  TYR   B CE1 1 
ATOM   564  C CE2 . TYR   A 1 65  ? -15.968 -8.511  -17.724 1.00 13.44 ? 71  TYR   B CE2 1 
ATOM   565  C CZ  . TYR   A 1 65  ? -16.671 -9.274  -16.817 1.00 13.22 ? 71  TYR   B CZ  1 
ATOM   566  O OH  . TYR   A 1 65  ? -17.203 -8.659  -15.734 1.00 15.94 ? 71  TYR   B OH  1 
ATOM   567  N N   . TRP   A 1 66  ? -17.969 -9.656  -21.404 1.00 11.80 ? 72  TRP   B N   1 
ATOM   568  C CA  . TRP   A 1 66  ? -18.571 -8.310  -21.537 1.00 11.97 ? 72  TRP   B CA  1 
ATOM   569  C C   . TRP   A 1 66  ? -19.471 -8.021  -20.324 1.00 11.93 ? 72  TRP   B C   1 
ATOM   570  O O   . TRP   A 1 66  ? -19.821 -8.943  -19.553 1.00 12.96 ? 72  TRP   B O   1 
ATOM   571  C CB  . TRP   A 1 66  ? -19.314 -8.092  -22.880 1.00 11.87 ? 72  TRP   B CB  1 
ATOM   572  C CG  . TRP   A 1 66  ? -20.489 -8.983  -23.117 1.00 13.02 ? 72  TRP   B CG  1 
ATOM   573  C CD1 . TRP   A 1 66  ? -21.823 -8.674  -22.899 1.00 11.23 ? 72  TRP   B CD1 1 
ATOM   574  C CD2 . TRP   A 1 66  ? -20.492 -10.301 -23.670 1.00 13.13 ? 72  TRP   B CD2 1 
ATOM   575  N NE1 . TRP   A 1 66  ? -22.623 -9.715  -23.318 1.00 12.23 ? 72  TRP   B NE1 1 
ATOM   576  C CE2 . TRP   A 1 66  ? -21.832 -10.731 -23.781 1.00 13.16 ? 72  TRP   B CE2 1 
ATOM   577  C CE3 . TRP   A 1 66  ? -19.483 -11.151 -24.133 1.00 13.90 ? 72  TRP   B CE3 1 
ATOM   578  C CZ2 . TRP   A 1 66  ? -22.188 -11.974 -24.256 1.00 13.48 ? 72  TRP   B CZ2 1 
ATOM   579  C CZ3 . TRP   A 1 66  ? -19.838 -12.403 -24.567 1.00 15.60 ? 72  TRP   B CZ3 1 
ATOM   580  C CH2 . TRP   A 1 66  ? -21.157 -12.789 -24.677 1.00 15.01 ? 72  TRP   B CH2 1 
ATOM   581  N N   . GLU   A 1 67  ? -19.861 -6.746  -20.152 1.00 11.40 ? 73  GLU   B N   1 
ATOM   582  C CA  . GLU   A 1 67  ? -20.712 -6.309  -19.020 1.00 11.04 ? 73  GLU   B CA  1 
ATOM   583  C C   . GLU   A 1 67  ? -21.945 -5.565  -19.524 1.00 10.88 ? 73  GLU   B C   1 
ATOM   584  O O   . GLU   A 1 67  ? -21.860 -4.821  -20.512 1.00 11.55 ? 73  GLU   B O   1 
ATOM   585  C CB  . GLU   A 1 67  ? -19.924 -5.433  -18.049 1.00 12.69 ? 73  GLU   B CB  1 
ATOM   586  C CG  . GLU   A 1 67  ? -18.789 -6.218  -17.420 1.00 14.94 ? 73  GLU   B CG  1 
ATOM   587  C CD  . GLU   A 1 67  ? -17.985 -5.500  -16.354 1.00 19.31 ? 73  GLU   B CD  1 
ATOM   588  O OE1 . GLU   A 1 67  ? -18.152 -4.256  -16.242 1.00 22.76 ? 73  GLU   B OE1 1 
ATOM   589  O OE2 . GLU   A 1 67  ? -17.184 -6.202  -15.626 1.00 18.68 ? 73  GLU   B OE2 1 
ATOM   590  N N   . VAL   A 1 68  ? -23.051 -5.772  -18.814 1.00 11.49 ? 74  VAL   B N   1 
ATOM   591  C CA  . VAL   A 1 68  ? -24.326 -5.130  -19.188 1.00 11.10 ? 74  VAL   B CA  1 
ATOM   592  C C   . VAL   A 1 68  ? -24.909 -4.437  -17.955 1.00 11.01 ? 74  VAL   B C   1 
ATOM   593  O O   . VAL   A 1 68  ? -25.028 -5.078  -16.869 1.00 11.72 ? 74  VAL   B O   1 
ATOM   594  C CB  . VAL   A 1 68  ? -25.333 -6.150  -19.737 1.00 11.06 ? 74  VAL   B CB  1 
ATOM   595  C CG1 . VAL   A 1 68  ? -26.571 -5.422  -20.212 1.00 11.66 ? 74  VAL   B CG1 1 
ATOM   596  C CG2 . VAL   A 1 68  ? -24.693 -7.041  -20.796 1.00 12.37 ? 74  VAL   B CG2 1 
ATOM   597  N N   . ASP   A 1 69  ? -25.351 -3.195  -18.130 1.00 11.28 ? 75  ASP   B N   1 
ATOM   598  C CA  . ASP   A 1 69  ? -26.024 -2.419  -17.059 1.00 11.47 ? 75  ASP   B CA  1 
ATOM   599  C C   . ASP   A 1 69  ? -27.516 -2.714  -17.118 1.00 11.56 ? 75  ASP   B C   1 
ATOM   600  O O   . ASP   A 1 69  ? -28.145 -2.589  -18.245 1.00 11.11 ? 75  ASP   B O   1 
ATOM   601  C CB  . ASP   A 1 69  ? -25.708 -0.936  -17.227 1.00 12.83 ? 75  ASP   B CB  1 
ATOM   602  C CG  . ASP   A 1 69  ? -26.116 -0.103  -16.025 1.00 15.72 ? 75  ASP   B CG  1 
ATOM   603  O OD1 . ASP   A 1 69  ? -27.296 -0.114  -15.689 1.00 15.24 ? 75  ASP   B OD1 1 
ATOM   604  O OD2 . ASP   A 1 69  ? -25.208 0.456   -15.346 1.00 20.70 ? 75  ASP   B OD2 1 
ATOM   605  N N   . VAL   A 1 70  ? -28.108 -3.085  -15.993 1.00 10.89 ? 76  VAL   B N   1 
ATOM   606  C CA  . VAL   A 1 70  ? -29.552 -3.437  -15.844 1.00 11.87 ? 76  VAL   B CA  1 
ATOM   607  C C   . VAL   A 1 70  ? -30.244 -2.524  -14.813 1.00 11.81 ? 76  VAL   B C   1 
ATOM   608  O O   . VAL   A 1 70  ? -31.323 -2.872  -14.332 1.00 12.38 ? 76  VAL   B O   1 
ATOM   609  C CB  . VAL   A 1 70  ? -29.731 -4.929  -15.491 1.00 11.03 ? 76  VAL   B CB  1 
ATOM   610  C CG1 . VAL   A 1 70  ? -29.106 -5.823  -16.589 1.00 10.76 ? 76  VAL   B CG1 1 
ATOM   611  C CG2 . VAL   A 1 70  ? -29.109 -5.309  -14.143 1.00 11.79 ? 76  VAL   B CG2 1 
ATOM   612  N N   . THR   A 1 71  ? -29.613 -1.407  -14.447 1.00 12.18 ? 77  THR   B N   1 
ATOM   613  C CA  . THR   A 1 71  ? -30.114 -0.490  -13.395 1.00 13.61 ? 77  THR   B CA  1 
ATOM   614  C C   . THR   A 1 71  ? -31.608 -0.206  -13.587 1.00 14.07 ? 77  THR   B C   1 
ATOM   615  O O   . THR   A 1 71  ? -32.045 0.174   -14.694 1.00 13.75 ? 77  THR   B O   1 
ATOM   616  C CB  . THR   A 1 71  ? -29.328 0.820   -13.422 1.00 14.17 ? 77  THR   B CB  1 
ATOM   617  O OG1 . THR   A 1 71  ? -27.946 0.549   -13.165 1.00 16.53 ? 77  THR   B OG1 1 
ATOM   618  C CG2 . THR   A 1 71  ? -29.858 1.744   -12.352 1.00 16.30 ? 77  THR   B CG2 1 
ATOM   619  N N   . GLN   A 1 72  ? -32.342 -0.385  -12.485 1.00 16.75 ? 78  GLN   B N   1 
ATOM   620  C CA  . GLN   A 1 72  ? -33.763 -0.021  -12.272 1.00 19.26 ? 78  GLN   B CA  1 
ATOM   621  C C   . GLN   A 1 72  ? -34.722 -0.899  -13.080 1.00 19.38 ? 78  GLN   B C   1 
ATOM   622  O O   . GLN   A 1 72  ? -35.930 -0.697  -12.928 1.00 21.94 ? 78  GLN   B O   1 
ATOM   623  C CB  . GLN   A 1 72  ? -34.030 1.459   -12.501 1.00 24.81 ? 78  GLN   B CB  1 
ATOM   624  C CG  . GLN   A 1 72  ? -34.016 1.922   -13.935 1.00 32.79 ? 78  GLN   B CG  1 
ATOM   625  C CD  . GLN   A 1 72  ? -34.728 3.244   -14.131 1.00 39.01 ? 78  GLN   B CD  1 
ATOM   626  O OE1 . GLN   A 1 72  ? -34.088 4.298   -14.228 1.00 47.59 ? 78  GLN   B OE1 1 
ATOM   627  N NE2 . GLN   A 1 72  ? -36.051 3.184   -14.252 1.00 32.38 ? 78  GLN   B NE2 1 
ATOM   628  N N   . LYS   A 1 73  ? -34.267 -1.863  -13.861 1.00 12.88 ? 79  LYS   B N   1 
ATOM   629  C CA  . LYS   A 1 73  ? -35.228 -2.696  -14.596 1.00 11.12 ? 79  LYS   B CA  1 
ATOM   630  C C   . LYS   A 1 73  ? -35.913 -3.724  -13.693 1.00 10.86 ? 79  LYS   B C   1 
ATOM   631  O O   . LYS   A 1 73  ? -35.269 -4.248  -12.740 1.00 12.04 ? 79  LYS   B O   1 
ATOM   632  C CB  . LYS   A 1 73  ? -34.497 -3.394  -15.734 1.00 11.31 ? 79  LYS   B CB  1 
ATOM   633  C CG  . LYS   A 1 73  ? -34.017 -2.417  -16.804 1.00 11.90 ? 79  LYS   B CG  1 
ATOM   634  C CD  . LYS   A 1 73  ? -33.536 -3.085  -18.057 1.00 12.34 ? 79  LYS   B CD  1 
ATOM   635  C CE  . LYS   A 1 73  ? -34.596 -3.840  -18.833 1.00 11.29 ? 79  LYS   B CE  1 
ATOM   636  N NZ  . LYS   A 1 73  ? -35.766 -2.986  -19.175 1.00 10.98 ? 79  LYS   B NZ  1 
ATOM   637  N N   . GLU   A 1 74  ? -37.158 -4.070  -14.015 1.00 10.16 ? 80  GLU   B N   1 
ATOM   638  C CA  . GLU   A 1 74  ? -37.979 -5.076  -13.324 1.00 10.46 ? 80  GLU   B CA  1 
ATOM   639  C C   . GLU   A 1 74  ? -37.851 -6.443  -14.005 1.00 10.21 ? 80  GLU   B C   1 
ATOM   640  O O   . GLU   A 1 74  ? -38.180 -7.454  -13.398 1.00 10.26 ? 80  GLU   B O   1 
ATOM   641  C CB  . GLU   A 1 74  ? -39.467 -4.679  -13.378 1.00 10.20 ? 80  GLU   B CB  1 
ATOM   642  C CG  . GLU   A 1 74  ? -39.777 -3.444  -12.589 1.00 10.52 ? 80  GLU   B CG  1 
ATOM   643  C CD  . GLU   A 1 74  ? -41.225 -3.011  -12.690 1.00 11.92 ? 80  GLU   B CD  1 
ATOM   644  O OE1 . GLU   A 1 74  ? -41.638 -2.126  -11.879 1.00 13.36 ? 80  GLU   B OE1 1 
ATOM   645  O OE2 . GLU   A 1 74  ? -41.966 -3.616  -13.525 1.00 12.92 ? 80  GLU   B OE2 1 
ATOM   646  N N   . ALA   A 1 75  ? -37.487 -6.461  -15.288 1.00 9.88  ? 81  ALA   B N   1 
ATOM   647  C CA  . ALA   A 1 75  ? -37.533 -7.715  -16.056 1.00 9.87  ? 81  ALA   B CA  1 
ATOM   648  C C   . ALA   A 1 75  ? -36.541 -7.614  -17.207 1.00 10.07 ? 81  ALA   B C   1 
ATOM   649  O O   . ALA   A 1 75  ? -36.517 -6.573  -17.912 1.00 10.05 ? 81  ALA   B O   1 
ATOM   650  C CB  . ALA   A 1 75  ? -38.908 -8.054  -16.583 1.00 10.19 ? 81  ALA   B CB  1 
ATOM   651  N N   . TRP   A 1 76  ? -35.816 -8.697  -17.503 1.00 9.64  ? 82  TRP   B N   1 
ATOM   652  C CA  . TRP   A 1 76  ? -34.829 -8.756  -18.611 1.00 9.80  ? 82  TRP   B CA  1 
ATOM   653  C C   . TRP   A 1 76  ? -34.327 -10.175 -18.681 1.00 9.87  ? 82  TRP   B C   1 
ATOM   654  O O   . TRP   A 1 76  ? -34.412 -10.940 -17.677 1.00 10.15 ? 82  TRP   B O   1 
ATOM   655  C CB  . TRP   A 1 76  ? -33.676 -7.773  -18.411 1.00 10.49 ? 82  TRP   B CB  1 
ATOM   656  C CG  . TRP   A 1 76  ? -32.996 -7.799  -17.076 1.00 9.71  ? 82  TRP   B CG  1 
ATOM   657  C CD1 . TRP   A 1 76  ? -33.239 -6.935  -16.043 1.00 10.89 ? 82  TRP   B CD1 1 
ATOM   658  C CD2 . TRP   A 1 76  ? -32.025 -8.741  -16.536 1.00 9.71  ? 82  TRP   B CD2 1 
ATOM   659  N NE1 . TRP   A 1 76  ? -32.472 -7.231  -14.960 1.00 11.39 ? 82  TRP   B NE1 1 
ATOM   660  C CE2 . TRP   A 1 76  ? -31.726 -8.355  -15.234 1.00 11.26 ? 82  TRP   B CE2 1 
ATOM   661  C CE3 . TRP   A 1 76  ? -31.396 -9.877  -17.076 1.00 10.48 ? 82  TRP   B CE3 1 
ATOM   662  C CZ2 . TRP   A 1 76  ? -30.808 -9.022  -14.431 1.00 11.45 ? 82  TRP   B CZ2 1 
ATOM   663  C CZ3 . TRP   A 1 76  ? -30.489 -10.572 -16.287 1.00 10.92 ? 82  TRP   B CZ3 1 
ATOM   664  C CH2 . TRP   A 1 76  ? -30.190 -10.120 -14.990 1.00 11.14 ? 82  TRP   B CH2 1 
ATOM   665  N N   . ASP   A 1 77  ? -33.804 -10.540 -19.841 1.00 10.32 ? 83  ASP   B N   1 
ATOM   666  C CA  . ASP   A 1 77  ? -33.018 -11.788 -20.055 1.00 10.69 ? 83  ASP   B CA  1 
ATOM   667  C C   . ASP   A 1 77  ? -31.662 -11.387 -20.638 1.00 9.94  ? 83  ASP   B C   1 
ATOM   668  O O   . ASP   A 1 77  ? -31.611 -10.496 -21.498 1.00 9.70  ? 83  ASP   B O   1 
ATOM   669  C CB  . ASP   A 1 77  ? -33.713 -12.761 -21.010 1.00 11.73 ? 83  ASP   B CB  1 
ATOM   670  C CG  . ASP   A 1 77  ? -35.206 -12.978 -20.859 1.00 15.46 ? 83  ASP   B CG  1 
ATOM   671  O OD1 . ASP   A 1 77  ? -35.651 -12.991 -19.760 1.00 18.10 ? 83  ASP   B OD1 1 
ATOM   672  O OD2 . ASP   A 1 77  ? -35.887 -13.159 -21.888 1.00 16.78 ? 83  ASP   B OD2 1 
ATOM   673  N N   . LEU   A 1 78  ? -30.586 -12.063 -20.233 1.00 9.29  ? 84  LEU   B N   1 
ATOM   674  C CA  . LEU   A 1 78  ? -29.239 -11.821 -20.774 1.00 9.77  ? 84  LEU   B CA  1 
ATOM   675  C C   . LEU   A 1 78  ? -28.483 -13.134 -20.945 1.00 10.20 ? 84  LEU   B C   1 
ATOM   676  O O   . LEU   A 1 78  ? -28.617 -14.031 -20.116 1.00 9.48  ? 84  LEU   B O   1 
ATOM   677  C CB  . LEU   A 1 78  ? -28.418 -10.948 -19.831 1.00 9.71  ? 84  LEU   B CB  1 
ATOM   678  C CG  . LEU   A 1 78  ? -28.811 -9.482  -19.714 1.00 11.53 ? 84  LEU   B CG  1 
ATOM   679  C CD1 . LEU   A 1 78  ? -27.971 -8.847  -18.607 1.00 12.42 ? 84  LEU   B CD1 1 
ATOM   680  C CD2 . LEU   A 1 78  ? -28.535 -8.799  -21.023 1.00 11.70 ? 84  LEU   B CD2 1 
ATOM   681  N N   . GLY   A 1 79  ? -27.656 -13.186 -21.983 1.00 9.12  ? 85  GLY   B N   1 
ATOM   682  C CA  . GLY   A 1 79  ? -26.677 -14.271 -22.080 1.00 11.07 ? 85  GLY   B CA  1 
ATOM   683  C C   . GLY   A 1 79  ? -26.108 -14.346 -23.466 1.00 10.07 ? 85  GLY   B C   1 
ATOM   684  O O   . GLY   A 1 79  ? -25.738 -13.311 -24.057 1.00 9.87  ? 85  GLY   B O   1 
ATOM   685  N N   A VAL   A 1 80  ? -26.013 -15.571 -23.993 0.25 10.18 ? 86  VAL   B N   1 
ATOM   686  N N   B VAL   A 1 80  ? -26.113 -15.541 -24.041 0.25 10.14 ? 86  VAL   B N   1 
ATOM   687  C CA  A VAL   A 1 80  ? -25.580 -15.866 -25.389 0.25 10.42 ? 86  VAL   B CA  1 
ATOM   688  C CA  B VAL   A 1 80  ? -25.519 -15.812 -25.374 0.25 10.43 ? 86  VAL   B CA  1 
ATOM   689  C C   A VAL   A 1 80  ? -26.557 -16.846 -26.022 0.25 10.27 ? 86  VAL   B C   1 
ATOM   690  C C   B VAL   A 1 80  ? -26.383 -16.904 -26.015 0.25 10.25 ? 86  VAL   B C   1 
ATOM   691  O O   A VAL   A 1 80  ? -27.264 -17.586 -25.301 0.25 10.75 ? 86  VAL   B O   1 
ATOM   692  O O   B VAL   A 1 80  ? -26.943 -17.712 -25.256 0.25 10.38 ? 86  VAL   B O   1 
ATOM   693  C CB  A VAL   A 1 80  ? -24.169 -16.469 -25.498 0.25 10.84 ? 86  VAL   B CB  1 
ATOM   694  C CB  B VAL   A 1 80  ? -24.035 -16.200 -25.212 0.25 10.98 ? 86  VAL   B CB  1 
ATOM   695  C CG1 A VAL   A 1 80  ? -23.114 -15.432 -25.212 0.25 10.73 ? 86  VAL   B CG1 1 
ATOM   696  C CG1 B VAL   A 1 80  ? -23.895 -17.577 -24.580 0.25 11.14 ? 86  VAL   B CG1 1 
ATOM   697  C CG2 A VAL   A 1 80  ? -24.006 -17.700 -24.619 0.25 10.87 ? 86  VAL   B CG2 1 
ATOM   698  C CG2 B VAL   A 1 80  ? -23.272 -16.129 -26.516 0.25 11.22 ? 86  VAL   B CG2 1 
ATOM   699  N N   . CYS   A 1 81  ? -26.531 -16.910 -27.344 1.00 10.17 ? 87  CYS   B N   1 
ATOM   700  C CA  . CYS   A 1 81  ? -27.336 -17.909 -28.030 1.00 10.35 ? 87  CYS   B CA  1 
ATOM   701  C C   . CYS   A 1 81  ? -26.648 -18.315 -29.323 1.00 10.76 ? 87  CYS   B C   1 
ATOM   702  O O   . CYS   A 1 81  ? -25.751 -17.591 -29.842 1.00 10.94 ? 87  CYS   B O   1 
ATOM   703  C CB  . CYS   A 1 81  ? -28.746 -17.382 -28.268 1.00 10.87 ? 87  CYS   B CB  1 
ATOM   704  S SG  . CYS   A 1 81  ? -28.845 -16.001 -29.436 1.00 12.24 ? 87  CYS   B SG  1 
ATOM   705  N N   A ARG   A 1 82  ? -27.085 -19.438 -29.866 0.25 10.99 ? 88  ARG   B N   1 
ATOM   706  N N   B ARG   A 1 82  ? -27.076 -19.444 -29.865 0.25 10.60 ? 88  ARG   B N   1 
ATOM   707  C CA  A ARG   A 1 82  ? -26.647 -19.871 -31.214 0.25 11.51 ? 88  ARG   B CA  1 
ATOM   708  C CA  B ARG   A 1 82  ? -26.600 -19.929 -31.187 0.25 10.84 ? 88  ARG   B CA  1 
ATOM   709  C C   A ARG   A 1 82  ? -27.053 -18.825 -32.248 0.25 11.44 ? 88  ARG   B C   1 
ATOM   710  C C   B ARG   A 1 82  ? -27.087 -18.960 -32.281 0.25 11.17 ? 88  ARG   B C   1 
ATOM   711  O O   A ARG   A 1 82  ? -28.099 -18.200 -32.108 0.25 11.38 ? 88  ARG   B O   1 
ATOM   712  O O   B ARG   A 1 82  ? -28.239 -18.509 -32.198 0.25 11.32 ? 88  ARG   B O   1 
ATOM   713  C CB  A ARG   A 1 82  ? -27.303 -21.196 -31.584 0.25 12.38 ? 88  ARG   B CB  1 
ATOM   714  C CB  B ARG   A 1 82  ? -27.116 -21.357 -31.392 0.25 11.11 ? 88  ARG   B CB  1 
ATOM   715  C CG  A ARG   A 1 82  ? -26.875 -22.314 -30.658 0.25 13.07 ? 88  ARG   B CG  1 
ATOM   716  C CG  B ARG   A 1 82  ? -26.436 -22.102 -32.531 0.25 11.17 ? 88  ARG   B CG  1 
ATOM   717  C CD  A ARG   A 1 82  ? -27.409 -23.647 -31.114 0.25 14.08 ? 88  ARG   B CD  1 
ATOM   718  C CD  B ARG   A 1 82  ? -27.038 -23.470 -32.768 0.25 10.97 ? 88  ARG   B CD  1 
ATOM   719  N NE  A ARG   A 1 82  ? -27.057 -24.693 -30.170 0.25 13.58 ? 88  ARG   B NE  1 
ATOM   720  N NE  B ARG   A 1 82  ? -26.865 -24.302 -31.598 0.25 10.86 ? 88  ARG   B NE  1 
ATOM   721  C CZ  A ARG   A 1 82  ? -27.862 -25.693 -29.857 0.25 13.93 ? 88  ARG   B CZ  1 
ATOM   722  C CZ  B ARG   A 1 82  ? -27.856 -24.898 -30.936 0.25 10.64 ? 88  ARG   B CZ  1 
ATOM   723  N NH1 A ARG   A 1 82  ? -29.059 -25.764 -30.409 0.25 13.72 ? 88  ARG   B NH1 1 
ATOM   724  N NH1 B ARG   A 1 82  ? -29.083 -24.827 -31.382 0.25 11.32 ? 88  ARG   B NH1 1 
ATOM   725  N NH2 A ARG   A 1 82  ? -27.467 -26.611 -28.992 0.25 15.01 ? 88  ARG   B NH2 1 
ATOM   726  N NH2 B ARG   A 1 82  ? -27.606 -25.596 -29.847 0.25 10.61 ? 88  ARG   B NH2 1 
ATOM   727  N N   . ASP   A 1 83  ? -26.254 -18.667 -33.293 1.00 11.92 ? 89  ASP   B N   1 
ATOM   728  C CA  . ASP   A 1 83  ? -26.668 -17.767 -34.387 1.00 13.15 ? 89  ASP   B CA  1 
ATOM   729  C C   . ASP   A 1 83  ? -27.966 -18.291 -35.009 1.00 14.35 ? 89  ASP   B C   1 
ATOM   730  O O   . ASP   A 1 83  ? -28.728 -17.452 -35.578 1.00 17.45 ? 89  ASP   B O   1 
ATOM   731  C CB  . ASP   A 1 83  ? -25.548 -17.662 -35.418 1.00 16.49 ? 89  ASP   B CB  1 
ATOM   732  C CG  . ASP   A 1 83  ? -25.162 -18.938 -36.139 1.00 20.56 ? 89  ASP   B CG  1 
ATOM   733  O OD1 . ASP   A 1 83  ? -25.651 -20.059 -35.768 1.00 24.92 ? 89  ASP   B OD1 1 
ATOM   734  O OD2 . ASP   A 1 83  ? -24.354 -18.810 -37.106 1.00 23.93 ? 89  ASP   B OD2 1 
ATOM   735  N N   . SER   A 1 84  ? -28.247 -19.594 -34.995 1.00 12.80 ? 90  SER   B N   1 
ATOM   736  C CA  . SER   A 1 84  ? -29.385 -20.245 -35.687 1.00 14.57 ? 90  SER   B CA  1 
ATOM   737  C C   . SER   A 1 84  ? -30.646 -20.364 -34.820 1.00 13.44 ? 90  SER   B C   1 
ATOM   738  O O   . SER   A 1 84  ? -31.549 -21.097 -35.201 1.00 14.04 ? 90  SER   B O   1 
ATOM   739  C CB  . SER   A 1 84  ? -28.935 -21.617 -36.209 1.00 16.04 ? 90  SER   B CB  1 
ATOM   740  O OG  . SER   A 1 84  ? -28.485 -22.406 -35.175 1.00 18.89 ? 90  SER   B OG  1 
ATOM   741  N N   . VAL   A 1 85  ? -30.754 -19.651 -33.691 1.00 12.40 ? 91  VAL   B N   1 
ATOM   742  C CA  . VAL   A 1 85  ? -31.984 -19.744 -32.875 1.00 12.47 ? 91  VAL   B CA  1 
ATOM   743  C C   . VAL   A 1 85  ? -33.193 -19.296 -33.711 1.00 12.32 ? 91  VAL   B C   1 
ATOM   744  O O   . VAL   A 1 85  ? -33.101 -18.363 -34.526 1.00 13.03 ? 91  VAL   B O   1 
ATOM   745  C CB  . VAL   A 1 85  ? -31.902 -18.979 -31.539 1.00 12.32 ? 91  VAL   B CB  1 
ATOM   746  C CG1 . VAL   A 1 85  ? -30.899 -19.621 -30.625 1.00 12.11 ? 91  VAL   B CG1 1 
ATOM   747  C CG2 . VAL   A 1 85  ? -31.684 -17.495 -31.642 1.00 12.74 ? 91  VAL   B CG2 1 
ATOM   748  N N   . GLN   A 1 86  ? -34.314 -19.904 -33.363 1.00 13.91 ? 92  GLN   B N   1 
ATOM   749  C CA  . GLN   A 1 86  ? -35.668 -19.495 -33.853 1.00 16.00 ? 92  GLN   B CA  1 
ATOM   750  C C   . GLN   A 1 86  ? -35.911 -17.997 -33.599 1.00 14.10 ? 92  GLN   B C   1 
ATOM   751  O O   . GLN   A 1 86  ? -35.649 -17.511 -32.500 1.00 13.59 ? 92  GLN   B O   1 
ATOM   752  C CB  . GLN   A 1 86  ? -36.694 -20.363 -33.111 1.00 17.05 ? 92  GLN   B CB  1 
ATOM   753  C CG  . GLN   A 1 86  ? -38.174 -20.084 -33.399 1.00 21.33 ? 92  GLN   B CG  1 
ATOM   754  C CD  . GLN   A 1 86  ? -39.095 -20.918 -32.518 1.00 22.89 ? 92  GLN   B CD  1 
ATOM   755  O OE1 . GLN   A 1 86  ? -38.691 -21.897 -31.849 1.00 24.98 ? 92  GLN   B OE1 1 
ATOM   756  N NE2 . GLN   A 1 86  ? -40.374 -20.557 -32.492 1.00 23.55 ? 92  GLN   B NE2 1 
ATOM   757  N N   . ARG   A 1 87  ? -36.451 -17.277 -34.588 1.00 14.21 ? 93  ARG   B N   1 
ATOM   758  C CA  . ARG   A 1 87  ? -36.758 -15.814 -34.449 1.00 12.76 ? 93  ARG   B CA  1 
ATOM   759  C C   . ARG   A 1 87  ? -38.261 -15.593 -34.349 1.00 13.00 ? 93  ARG   B C   1 
ATOM   760  O O   . ARG   A 1 87  ? -38.644 -14.601 -33.713 1.00 12.53 ? 93  ARG   B O   1 
ATOM   761  C CB  . ARG   A 1 87  ? -36.191 -14.965 -35.579 1.00 12.60 ? 93  ARG   B CB  1 
ATOM   762  C CG  . ARG   A 1 87  ? -34.732 -15.243 -35.902 1.00 12.57 ? 93  ARG   B CG  1 
ATOM   763  C CD  . ARG   A 1 87  ? -33.838 -14.979 -34.677 1.00 13.13 ? 93  ARG   B CD  1 
ATOM   764  N NE  . ARG   A 1 87  ? -32.456 -15.405 -34.956 1.00 13.37 ? 93  ARG   B NE  1 
ATOM   765  C CZ  . ARG   A 1 87  ? -31.539 -14.674 -35.569 1.00 13.87 ? 93  ARG   B CZ  1 
ATOM   766  N NH1 . ARG   A 1 87  ? -31.806 -13.448 -35.977 1.00 15.26 ? 93  ARG   B NH1 1 
ATOM   767  N NH2 . ARG   A 1 87  ? -30.367 -15.197 -35.858 1.00 15.48 ? 93  ARG   B NH2 1 
ATOM   768  N N   . LYS   A 1 88  ? -39.071 -16.448 -34.975 1.00 13.43 ? 94  LYS   B N   1 
ATOM   769  C CA  . LYS   A 1 88  ? -40.529 -16.193 -35.098 1.00 13.46 ? 94  LYS   B CA  1 
ATOM   770  C C   . LYS   A 1 88  ? -41.305 -17.141 -34.204 1.00 15.00 ? 94  LYS   B C   1 
ATOM   771  O O   . LYS   A 1 88  ? -40.904 -18.323 -34.108 1.00 17.12 ? 94  LYS   B O   1 
ATOM   772  C CB  . LYS   A 1 88  ? -40.988 -16.365 -36.551 1.00 14.41 ? 94  LYS   B CB  1 
ATOM   773  C CG  . LYS   A 1 88  ? -40.174 -15.607 -37.574 1.00 15.30 ? 94  LYS   B CG  1 
ATOM   774  C CD  . LYS   A 1 88  ? -40.102 -14.112 -37.333 1.00 16.60 ? 94  LYS   B CD  1 
ATOM   775  C CE  . LYS   A 1 88  ? -39.346 -13.406 -38.423 1.00 16.01 ? 94  LYS   B CE  1 
ATOM   776  N NZ  . LYS   A 1 88  ? -39.293 -11.949 -38.202 1.00 16.29 ? 94  LYS   B NZ  1 
ATOM   777  N N   . GLY   A 1 89  ? -42.390 -16.671 -33.609 1.00 14.30 ? 95  GLY   B N   1 
ATOM   778  C CA  . GLY   A 1 89  ? -43.278 -17.506 -32.805 1.00 15.00 ? 95  GLY   B CA  1 
ATOM   779  C C   . GLY   A 1 89  ? -42.818 -17.658 -31.376 1.00 15.89 ? 95  GLY   B C   1 
ATOM   780  O O   . GLY   A 1 89  ? -41.879 -16.920 -30.966 1.00 15.05 ? 95  GLY   B O   1 
ATOM   781  N N   . GLN   A 1 90  ? -43.523 -18.471 -30.591 1.00 15.69 ? 96  GLN   B N   1 
ATOM   782  C CA  . GLN   A 1 90  ? -43.234 -18.674 -29.174 1.00 16.36 ? 96  GLN   B CA  1 
ATOM   783  C C   . GLN   A 1 90  ? -42.130 -19.716 -29.001 1.00 15.40 ? 96  GLN   B C   1 
ATOM   784  O O   . GLN   A 1 90  ? -42.005 -20.689 -29.797 1.00 15.84 ? 96  GLN   B O   1 
ATOM   785  C CB  . GLN   A 1 90  ? -44.474 -19.168 -28.428 1.00 18.71 ? 96  GLN   B CB  1 
ATOM   786  C CG  . GLN   A 1 90  ? -45.647 -18.211 -28.521 1.00 22.79 ? 96  GLN   B CG  1 
ATOM   787  C CD  . GLN   A 1 90  ? -46.940 -18.949 -28.280 1.00 31.68 ? 96  GLN   B CD  1 
ATOM   788  O OE1 . GLN   A 1 90  ? -47.135 -19.566 -27.235 1.00 39.04 ? 96  GLN   B OE1 1 
ATOM   789  N NE2 . GLN   A 1 90  ? -47.848 -18.863 -29.239 1.00 34.46 ? 96  GLN   B NE2 1 
ATOM   790  N N   . PHE   A 1 91  ? -41.302 -19.489 -28.005 1.00 14.06 ? 97  PHE   B N   1 
ATOM   791  C CA  . PHE   A 1 91  ? -40.263 -20.470 -27.612 1.00 14.56 ? 97  PHE   B CA  1 
ATOM   792  C C   . PHE   A 1 91  ? -39.791 -20.184 -26.196 1.00 14.80 ? 97  PHE   B C   1 
ATOM   793  O O   . PHE   A 1 91  ? -39.956 -19.082 -25.693 1.00 15.72 ? 97  PHE   B O   1 
ATOM   794  C CB  . PHE   A 1 91  ? -39.086 -20.382 -28.587 1.00 15.32 ? 97  PHE   B CB  1 
ATOM   795  C CG  . PHE   A 1 91  ? -38.431 -19.026 -28.709 1.00 14.63 ? 97  PHE   B CG  1 
ATOM   796  C CD1 . PHE   A 1 91  ? -37.443 -18.615 -27.829 1.00 13.57 ? 97  PHE   B CD1 1 
ATOM   797  C CD2 . PHE   A 1 91  ? -38.807 -18.154 -29.710 1.00 14.05 ? 97  PHE   B CD2 1 
ATOM   798  C CE1 . PHE   A 1 91  ? -36.830 -17.380 -27.978 1.00 13.11 ? 97  PHE   B CE1 1 
ATOM   799  C CE2 . PHE   A 1 91  ? -38.184 -16.930 -29.866 1.00 13.02 ? 97  PHE   B CE2 1 
ATOM   800  C CZ  . PHE   A 1 91  ? -37.206 -16.539 -29.002 1.00 12.97 ? 97  PHE   B CZ  1 
ATOM   801  N N   A SER   A 1 92  ? -39.225 -21.188 -25.528 0.25 15.03 ? 98  SER   B N   1 
ATOM   802  N N   B SER   A 1 92  ? -39.187 -21.197 -25.574 0.25 14.40 ? 98  SER   B N   1 
ATOM   803  C CA  A SER   A 1 92  ? -38.612 -21.015 -24.188 0.25 15.92 ? 98  SER   B CA  1 
ATOM   804  C CA  B SER   A 1 92  ? -38.570 -21.118 -24.229 0.25 14.85 ? 98  SER   B CA  1 
ATOM   805  C C   A SER   A 1 92  ? -37.104 -20.815 -24.334 0.25 14.16 ? 98  SER   B C   1 
ATOM   806  C C   B SER   A 1 92  ? -37.076 -20.815 -24.358 0.25 13.59 ? 98  SER   B C   1 
ATOM   807  O O   A SER   A 1 92  ? -36.503 -21.339 -25.289 0.25 14.22 ? 98  SER   B O   1 
ATOM   808  O O   B SER   A 1 92  ? -36.448 -21.268 -25.339 0.25 13.62 ? 98  SER   B O   1 
ATOM   809  C CB  A SER   A 1 92  ? -38.920 -22.162 -23.265 0.25 17.81 ? 98  SER   B CB  1 
ATOM   810  C CB  B SER   A 1 92  ? -38.805 -22.384 -23.445 0.25 15.81 ? 98  SER   B CB  1 
ATOM   811  O OG  A SER   A 1 92  ? -38.620 -23.394 -23.892 0.25 20.75 ? 98  SER   B OG  1 
ATOM   812  O OG  B SER   A 1 92  ? -40.180 -22.506 -23.106 0.25 17.03 ? 98  SER   B OG  1 
ATOM   813  N N   . LEU   A 1 93  ? -36.521 -20.084 -23.388 1.00 13.73 ? 99  LEU   B N   1 
ATOM   814  C CA  . LEU   A 1 93  ? -35.060 -19.902 -23.298 1.00 14.29 ? 99  LEU   B CA  1 
ATOM   815  C C   . LEU   A 1 93  ? -34.466 -21.116 -22.598 1.00 14.40 ? 99  LEU   B C   1 
ATOM   816  O O   . LEU   A 1 93  ? -34.573 -21.262 -21.404 1.00 16.32 ? 99  LEU   B O   1 
ATOM   817  C CB  . LEU   A 1 93  ? -34.717 -18.611 -22.556 1.00 14.32 ? 99  LEU   B CB  1 
ATOM   818  C CG  . LEU   A 1 93  ? -35.209 -17.334 -23.217 1.00 16.43 ? 99  LEU   B CG  1 
ATOM   819  C CD1 . LEU   A 1 93  ? -34.842 -16.148 -22.337 1.00 16.67 ? 99  LEU   B CD1 1 
ATOM   820  C CD2 . LEU   A 1 93  ? -34.627 -17.139 -24.603 1.00 15.96 ? 99  LEU   B CD2 1 
ATOM   821  N N   . SER   A 1 94  ? -33.816 -22.018 -23.335 1.00 13.78 ? 100 SER   B N   1 
ATOM   822  C CA  . SER   A 1 94  ? -33.206 -23.234 -22.759 1.00 14.40 ? 100 SER   B CA  1 
ATOM   823  C C   . SER   A 1 94  ? -32.024 -23.615 -23.639 1.00 12.16 ? 100 SER   B C   1 
ATOM   824  O O   . SER   A 1 94  ? -31.984 -23.281 -24.820 1.00 12.84 ? 100 SER   B O   1 
ATOM   825  C CB  . SER   A 1 94  ? -34.148 -24.386 -22.741 1.00 16.52 ? 100 SER   B CB  1 
ATOM   826  O OG  . SER   A 1 94  ? -34.509 -24.739 -24.076 1.00 18.70 ? 100 SER   B OG  1 
ATOM   827  N N   . PRO   A 1 95  ? -31.051 -24.323 -23.091 1.00 11.61 ? 101 PRO   B N   1 
ATOM   828  C CA  . PRO   A 1 95  ? -29.953 -24.846 -23.902 1.00 11.98 ? 101 PRO   B CA  1 
ATOM   829  C C   . PRO   A 1 95  ? -30.453 -25.720 -25.053 1.00 12.46 ? 101 PRO   B C   1 
ATOM   830  O O   . PRO   A 1 95  ? -29.818 -25.667 -26.131 1.00 13.23 ? 101 PRO   B O   1 
ATOM   831  C CB  . PRO   A 1 95  ? -29.059 -25.614 -22.910 1.00 13.22 ? 101 PRO   B CB  1 
ATOM   832  C CG  . PRO   A 1 95  ? -29.351 -24.888 -21.606 1.00 13.39 ? 101 PRO   B CG  1 
ATOM   833  C CD  . PRO   A 1 95  ? -30.832 -24.596 -21.661 1.00 13.53 ? 101 PRO   B CD  1 
ATOM   834  N N   . GLU   A 1 96  ? -31.507 -26.488 -24.853 1.00 13.32 ? 102 GLU   B N   1 
ATOM   835  C CA  . GLU   A 1 96  ? -32.075 -27.340 -25.940 1.00 16.45 ? 102 GLU   B CA  1 
ATOM   836  C C   . GLU   A 1 96  ? -32.473 -26.468 -27.135 1.00 16.43 ? 102 GLU   B C   1 
ATOM   837  O O   . GLU   A 1 96  ? -32.417 -26.949 -28.285 1.00 17.32 ? 102 GLU   B O   1 
ATOM   838  C CB  . GLU   A 1 96  ? -33.249 -28.154 -25.397 1.00 20.91 ? 102 GLU   B CB  1 
ATOM   839  C CG  . GLU   A 1 96  ? -32.877 -29.011 -24.193 1.00 28.07 ? 102 GLU   B CG  1 
ATOM   840  C CD  . GLU   A 1 96  ? -33.259 -28.453 -22.815 1.00 35.11 ? 102 GLU   B CD  1 
ATOM   841  O OE1 . GLU   A 1 96  ? -32.517 -27.570 -22.264 1.00 22.44 ? 102 GLU   B OE1 1 
ATOM   842  O OE2 . GLU   A 1 96  ? -34.317 -28.933 -22.271 1.00 40.00 ? 102 GLU   B OE2 1 
ATOM   843  N N   . ASN   A 1 97  ? -32.938 -25.235 -26.899 1.00 14.70 ? 103 ASN   B N   1 
ATOM   844  C CA  . ASN   A 1 97  ? -33.329 -24.286 -27.965 1.00 13.72 ? 103 ASN   B CA  1 
ATOM   845  C C   . ASN   A 1 97  ? -32.166 -23.388 -28.396 1.00 12.13 ? 103 ASN   B C   1 
ATOM   846  O O   . ASN   A 1 97  ? -32.387 -22.525 -29.261 1.00 14.15 ? 103 ASN   B O   1 
ATOM   847  C CB  . ASN   A 1 97  ? -34.531 -23.443 -27.521 1.00 14.14 ? 103 ASN   B CB  1 
ATOM   848  C CG  . ASN   A 1 97  ? -35.821 -24.219 -27.512 1.00 17.79 ? 103 ASN   B CG  1 
ATOM   849  O OD1 . ASN   A 1 97  ? -35.944 -25.268 -28.184 1.00 19.64 ? 103 ASN   B OD1 1 
ATOM   850  N ND2 . ASN   A 1 97  ? -36.810 -23.729 -26.768 1.00 17.15 ? 103 ASN   B ND2 1 
ATOM   851  N N   . GLY   A 1 98  ? -30.959 -23.566 -27.852 1.00 12.10 ? 104 GLY   B N   1 
ATOM   852  C CA  . GLY   A 1 98  ? -29.781 -22.766 -28.258 1.00 11.44 ? 104 GLY   B CA  1 
ATOM   853  C C   . GLY   A 1 98  ? -29.527 -21.499 -27.439 1.00 10.53 ? 104 GLY   B C   1 
ATOM   854  O O   . GLY   A 1 98  ? -28.873 -20.614 -27.963 1.00 11.20 ? 104 GLY   B O   1 
ATOM   855  N N   . PHE   A 1 99  ? -30.031 -21.423 -26.196 1.00 10.44 ? 105 PHE   B N   1 
ATOM   856  C CA  . PHE   A 1 99  ? -29.819 -20.242 -25.328 1.00 10.29 ? 105 PHE   B CA  1 
ATOM   857  C C   . PHE   A 1 99  ? -29.144 -20.618 -24.018 1.00 9.22  ? 105 PHE   B C   1 
ATOM   858  O O   . PHE   A 1 99  ? -29.597 -21.605 -23.375 1.00 10.68 ? 105 PHE   B O   1 
ATOM   859  C CB  . PHE   A 1 99  ? -31.164 -19.586 -24.992 1.00 10.36 ? 105 PHE   B CB  1 
ATOM   860  C CG  . PHE   A 1 99  ? -31.980 -19.092 -26.174 1.00 9.85  ? 105 PHE   B CG  1 
ATOM   861  C CD1 . PHE   A 1 99  ? -32.846 -19.943 -26.845 1.00 10.79 ? 105 PHE   B CD1 1 
ATOM   862  C CD2 . PHE   A 1 99  ? -31.835 -17.800 -26.663 1.00 10.42 ? 105 PHE   B CD2 1 
ATOM   863  C CE1 . PHE   A 1 99  ? -33.607 -19.499 -27.914 1.00 10.81 ? 105 PHE   B CE1 1 
ATOM   864  C CE2 . PHE   A 1 99  ? -32.612 -17.357 -27.715 1.00 10.60 ? 105 PHE   B CE2 1 
ATOM   865  C CZ  . PHE   A 1 99  ? -33.464 -18.216 -28.359 1.00 10.37 ? 105 PHE   B CZ  1 
ATOM   866  N N   . TRP   A 1 100 ? -28.248 -19.755 -23.551 1.00 9.41  ? 106 TRP   B N   1 
ATOM   867  C CA  . TRP   A 1 100 ? -27.540 -19.862 -22.254 1.00 10.10 ? 106 TRP   B CA  1 
ATOM   868  C C   . TRP   A 1 100 ? -27.712 -18.515 -21.556 1.00 9.28  ? 106 TRP   B C   1 
ATOM   869  O O   . TRP   A 1 100 ? -26.981 -17.556 -21.918 1.00 9.39  ? 106 TRP   B O   1 
ATOM   870  C CB  . TRP   A 1 100 ? -26.086 -20.293 -22.442 1.00 10.12 ? 106 TRP   B CB  1 
ATOM   871  C CG  . TRP   A 1 100 ? -25.994 -21.683 -23.048 1.00 10.39 ? 106 TRP   B CG  1 
ATOM   872  C CD1 . TRP   A 1 100 ? -25.904 -22.887 -22.386 1.00 11.21 ? 106 TRP   B CD1 1 
ATOM   873  C CD2 . TRP   A 1 100 ? -25.996 -22.014 -24.453 1.00 10.93 ? 106 TRP   B CD2 1 
ATOM   874  N NE1 . TRP   A 1 100 ? -25.917 -23.937 -23.292 1.00 11.13 ? 106 TRP   B NE1 1 
ATOM   875  C CE2 . TRP   A 1 100 ? -25.980 -23.412 -24.565 1.00 11.70 ? 106 TRP   B CE2 1 
ATOM   876  C CE3 . TRP   A 1 100 ? -26.035 -21.217 -25.604 1.00 10.67 ? 106 TRP   B CE3 1 
ATOM   877  C CZ2 . TRP   A 1 100 ? -25.977 -24.034 -25.827 1.00 11.61 ? 106 TRP   B CZ2 1 
ATOM   878  C CZ3 . TRP   A 1 100 ? -26.045 -21.845 -26.829 1.00 12.74 ? 106 TRP   B CZ3 1 
ATOM   879  C CH2 . TRP   A 1 100 ? -26.050 -23.218 -26.934 1.00 12.29 ? 106 TRP   B CH2 1 
ATOM   880  N N   . THR   A 1 101 ? -28.763 -18.408 -20.726 1.00 9.74  ? 107 THR   B N   1 
ATOM   881  C CA  . THR   A 1 101 ? -29.280 -17.101 -20.245 1.00 9.36  ? 107 THR   B CA  1 
ATOM   882  C C   . THR   A 1 101 ? -29.612 -17.185 -18.759 1.00 9.06  ? 107 THR   B C   1 
ATOM   883  O O   . THR   A 1 101 ? -29.876 -18.263 -18.227 1.00 10.08 ? 107 THR   B O   1 
ATOM   884  C CB  . THR   A 1 101 ? -30.528 -16.665 -21.031 1.00 9.72  ? 107 THR   B CB  1 
ATOM   885  O OG1 . THR   A 1 101 ? -31.560 -17.611 -20.812 1.00 10.82 ? 107 THR   B OG1 1 
ATOM   886  C CG2 . THR   A 1 101 ? -30.199 -16.481 -22.490 1.00 10.47 ? 107 THR   B CG2 1 
ATOM   887  N N   . ILE   A 1 102 ? -29.672 -15.986 -18.154 1.00 9.05  ? 108 ILE   B N   1 
ATOM   888  C CA  . ILE   A 1 102 ? -30.337 -15.768 -16.845 1.00 9.49  ? 108 ILE   B CA  1 
ATOM   889  C C   . ILE   A 1 102 ? -31.348 -14.655 -17.028 1.00 9.37  ? 108 ILE   B C   1 
ATOM   890  O O   . ILE   A 1 102 ? -31.290 -13.903 -18.023 1.00 9.62  ? 108 ILE   B O   1 
ATOM   891  C CB  . ILE   A 1 102 ? -29.323 -15.462 -15.740 1.00 9.44  ? 108 ILE   B CB  1 
ATOM   892  C CG1 . ILE   A 1 102 ? -28.629 -14.118 -15.904 1.00 9.97  ? 108 ILE   B CG1 1 
ATOM   893  C CG2 . ILE   A 1 102 ? -28.279 -16.565 -15.622 1.00 10.65 ? 108 ILE   B CG2 1 
ATOM   894  C CD1 . ILE   A 1 102 ? -27.831 -13.635 -14.727 1.00 10.91 ? 108 ILE   B CD1 1 
ATOM   895  N N   . TRP   A 1 103 ? -32.211 -14.521 -16.056 1.00 10.06 ? 109 TRP   B N   1 
ATOM   896  C CA  . TRP   A 1 103 ? -33.235 -13.466 -16.084 1.00 10.02 ? 109 TRP   B CA  1 
ATOM   897  C C   . TRP   A 1 103 ? -33.661 -12.986 -14.717 1.00 11.26 ? 109 TRP   B C   1 
ATOM   898  O O   . TRP   A 1 103 ? -33.418 -13.641 -13.687 1.00 11.01 ? 109 TRP   B O   1 
ATOM   899  C CB  . TRP   A 1 103 ? -34.380 -13.893 -16.940 1.00 13.23 ? 109 TRP   B CB  1 
ATOM   900  C CG  . TRP   A 1 103 ? -35.186 -15.005 -16.405 1.00 15.64 ? 109 TRP   B CG  1 
ATOM   901  C CD1 . TRP   A 1 103 ? -36.063 -14.985 -15.352 1.00 16.12 ? 109 TRP   B CD1 1 
ATOM   902  C CD2 . TRP   A 1 103 ? -35.314 -16.273 -17.042 1.00 18.41 ? 109 TRP   B CD2 1 
ATOM   903  N NE1 . TRP   A 1 103 ? -36.735 -16.163 -15.297 1.00 19.94 ? 109 TRP   B NE1 1 
ATOM   904  C CE2 . TRP   A 1 103 ? -36.283 -16.985 -16.297 1.00 17.93 ? 109 TRP   B CE2 1 
ATOM   905  C CE3 . TRP   A 1 103 ? -34.707 -16.864 -18.149 1.00 19.10 ? 109 TRP   B CE3 1 
ATOM   906  C CZ2 . TRP   A 1 103 ? -36.639 -18.287 -16.632 1.00 21.62 ? 109 TRP   B CZ2 1 
ATOM   907  C CZ3 . TRP   A 1 103 ? -35.092 -18.137 -18.495 1.00 20.09 ? 109 TRP   B CZ3 1 
ATOM   908  C CH2 . TRP   A 1 103 ? -36.008 -18.841 -17.729 1.00 20.73 ? 109 TRP   B CH2 1 
ATOM   909  N N   . LEU   A 1 104 ? -34.273 -11.809 -14.743 1.00 11.16 ? 110 LEU   B N   1 
ATOM   910  C CA  . LEU   A 1 104 ? -35.034 -11.254 -13.628 1.00 10.03 ? 110 LEU   B CA  1 
ATOM   911  C C   . LEU   A 1 104 ? -36.498 -11.227 -14.046 1.00 9.82  ? 110 LEU   B C   1 
ATOM   912  O O   . LEU   A 1 104 ? -36.797 -10.728 -15.146 1.00 10.33 ? 110 LEU   B O   1 
ATOM   913  C CB  . LEU   A 1 104 ? -34.532 -9.854  -13.275 1.00 10.14 ? 110 LEU   B CB  1 
ATOM   914  C CG  . LEU   A 1 104 ? -35.365 -9.033  -12.298 1.00 11.38 ? 110 LEU   B CG  1 
ATOM   915  C CD1 . LEU   A 1 104 ? -35.385 -9.723  -10.915 1.00 11.89 ? 110 LEU   B CD1 1 
ATOM   916  C CD2 . LEU   A 1 104 ? -34.852 -7.601  -12.226 1.00 12.13 ? 110 LEU   B CD2 1 
ATOM   917  N N   . TRP   A 1 105 ? -37.377 -11.595 -13.109 1.00 10.67 ? 111 TRP   B N   1 
ATOM   918  C CA  . TRP   A 1 105 ? -38.827 -11.566 -13.340 1.00 11.68 ? 111 TRP   B CA  1 
ATOM   919  C C   . TRP   A 1 105 ? -39.518 -11.571 -11.985 1.00 12.70 ? 111 TRP   B C   1 
ATOM   920  O O   . TRP   A 1 105 ? -39.214 -12.469 -11.180 1.00 12.37 ? 111 TRP   B O   1 
ATOM   921  C CB  . TRP   A 1 105 ? -39.208 -12.806 -14.154 1.00 15.16 ? 111 TRP   B CB  1 
ATOM   922  C CG  . TRP   A 1 105 ? -40.661 -13.042 -14.286 1.00 15.84 ? 111 TRP   B CG  1 
ATOM   923  C CD1 . TRP   A 1 105 ? -41.439 -14.031 -13.731 1.00 16.49 ? 111 TRP   B CD1 1 
ATOM   924  C CD2 . TRP   A 1 105 ? -41.522 -12.239 -15.075 1.00 15.18 ? 111 TRP   B CD2 1 
ATOM   925  N NE1 . TRP   A 1 105 ? -42.729 -13.873 -14.130 1.00 15.83 ? 111 TRP   B NE1 1 
ATOM   926  C CE2 . TRP   A 1 105 ? -42.811 -12.784 -14.948 1.00 14.81 ? 111 TRP   B CE2 1 
ATOM   927  C CE3 . TRP   A 1 105 ? -41.329 -11.097 -15.855 1.00 16.04 ? 111 TRP   B CE3 1 
ATOM   928  C CZ2 . TRP   A 1 105 ? -43.912 -12.241 -15.598 1.00 17.10 ? 111 TRP   B CZ2 1 
ATOM   929  C CZ3 . TRP   A 1 105 ? -42.424 -10.525 -16.462 1.00 19.08 ? 111 TRP   B CZ3 1 
ATOM   930  C CH2 . TRP   A 1 105 ? -43.692 -11.090 -16.336 1.00 18.12 ? 111 TRP   B CH2 1 
ATOM   931  N N   . GLN   A 1 106 ? -40.391 -10.604 -11.726 1.00 11.42 ? 112 GLN   B N   1 
ATOM   932  C CA  . GLN   A 1 106 ? -41.212 -10.596 -10.501 1.00 11.41 ? 112 GLN   B CA  1 
ATOM   933  C C   . GLN   A 1 106 ? -40.301 -10.778 -9.299  1.00 12.73 ? 112 GLN   B C   1 
ATOM   934  O O   . GLN   A 1 106 ? -40.689 -11.578 -8.367  1.00 14.79 ? 112 GLN   B O   1 
ATOM   935  C CB  . GLN   A 1 106 ? -42.325 -11.631 -10.615 1.00 11.93 ? 112 GLN   B CB  1 
ATOM   936  C CG  . GLN   A 1 106 ? -43.306 -11.321 -11.747 1.00 12.80 ? 112 GLN   B CG  1 
ATOM   937  C CD  . GLN   A 1 106 ? -44.549 -12.161 -11.863 1.00 13.52 ? 112 GLN   B CD  1 
ATOM   938  O OE1 . GLN   A 1 106 ? -45.507 -11.805 -12.612 1.00 16.50 ? 112 GLN   B OE1 1 
ATOM   939  N NE2 . GLN   A 1 106 ? -44.594 -13.229 -11.091 1.00 12.81 ? 112 GLN   B NE2 1 
ATOM   940  N N   . ASP   A 1 107 ? -39.258 -9.981  -9.189  1.00 14.04 ? 113 ASP   B N   1 
ATOM   941  C CA  . ASP   A 1 107 ? -38.442 -9.843  -7.958  1.00 18.05 ? 113 ASP   B CA  1 
ATOM   942  C C   . ASP   A 1 107 ? -37.659 -11.130 -7.665  1.00 17.58 ? 113 ASP   B C   1 
ATOM   943  O O   . ASP   A 1 107 ? -37.089 -11.217 -6.552  1.00 22.23 ? 113 ASP   B O   1 
ATOM   944  C CB  . ASP   A 1 107 ? -39.368 -9.571  -6.766  1.00 20.18 ? 113 ASP   B CB  1 
ATOM   945  C CG  . ASP   A 1 107 ? -38.711 -9.040  -5.519  1.00 27.65 ? 113 ASP   B CG  1 
ATOM   946  O OD1 . ASP   A 1 107 ? -37.789 -8.225  -5.642  1.00 28.58 ? 113 ASP   B OD1 1 
ATOM   947  O OD2 . ASP   A 1 107 ? -39.237 -9.382  -4.416  1.00 35.23 ? 113 ASP   B OD2 1 
ATOM   948  N N   . SER   A 1 108 ? -37.533 -12.051 -8.623  1.00 14.95 ? 114 SER   B N   1 
ATOM   949  C CA  . SER   A 1 108 ? -36.653 -13.247 -8.479  1.00 17.03 ? 114 SER   B CA  1 
ATOM   950  C C   . SER   A 1 108 ? -35.760 -13.440 -9.714  1.00 15.06 ? 114 SER   B C   1 
ATOM   951  O O   . SER   A 1 108 ? -36.136 -13.077 -10.829 1.00 13.97 ? 114 SER   B O   1 
ATOM   952  C CB  . SER   A 1 108 ? -37.454 -14.483 -8.089  1.00 19.36 ? 114 SER   B CB  1 
ATOM   953  O OG  . SER   A 1 108 ? -38.213 -15.024 -9.138  1.00 29.10 ? 114 SER   B OG  1 
ATOM   954  N N   . TYR   A 1 109 ? -34.580 -13.975 -9.500  1.00 12.51 ? 115 TYR   B N   1 
ATOM   955  C CA  . TYR   A 1 109 ? -33.563 -14.250 -10.550 1.00 11.94 ? 115 TYR   B CA  1 
ATOM   956  C C   . TYR   A 1 109 ? -33.514 -15.744 -10.789 1.00 11.74 ? 115 TYR   B C   1 
ATOM   957  O O   . TYR   A 1 109 ? -33.534 -16.528 -9.819  1.00 11.38 ? 115 TYR   B O   1 
ATOM   958  C CB  . TYR   A 1 109 ? -32.212 -13.715 -10.116 1.00 12.31 ? 115 TYR   B CB  1 
ATOM   959  C CG  . TYR   A 1 109 ? -32.157 -12.221 -9.902  1.00 11.81 ? 115 TYR   B CG  1 
ATOM   960  C CD1 . TYR   A 1 109 ? -32.408 -11.652 -8.661  1.00 13.02 ? 115 TYR   B CD1 1 
ATOM   961  C CD2 . TYR   A 1 109 ? -31.773 -11.367 -10.925 1.00 11.75 ? 115 TYR   B CD2 1 
ATOM   962  C CE1 . TYR   A 1 109 ? -32.294 -10.280 -8.443  1.00 13.16 ? 115 TYR   B CE1 1 
ATOM   963  C CE2 . TYR   A 1 109 ? -31.685 -10.000 -10.735 1.00 11.95 ? 115 TYR   B CE2 1 
ATOM   964  C CZ  . TYR   A 1 109 ? -31.951 -9.449  -9.492  1.00 12.18 ? 115 TYR   B CZ  1 
ATOM   965  O OH  . TYR   A 1 109 ? -31.916 -8.101  -9.261  1.00 12.75 ? 115 TYR   B OH  1 
ATOM   966  N N   A GLU   A 1 110 ? -33.472 -16.155 -12.058 0.25 12.27 ? 116 GLU   B N   1 
ATOM   967  N N   B GLU   A 1 110 ? -33.501 -16.148 -12.064 0.25 11.81 ? 116 GLU   B N   1 
ATOM   968  C CA  A GLU   A 1 110 ? -33.453 -17.586 -12.455 0.25 12.88 ? 116 GLU   B CA  1 
ATOM   969  C CA  B GLU   A 1 110 ? -33.508 -17.566 -12.515 0.25 12.05 ? 116 GLU   B CA  1 
ATOM   970  C C   A GLU   A 1 110 ? -32.508 -17.803 -13.638 0.25 11.74 ? 116 GLU   B C   1 
ATOM   971  C C   B GLU   A 1 110 ? -32.433 -17.767 -13.595 0.25 11.22 ? 116 GLU   B C   1 
ATOM   972  O O   A GLU   A 1 110 ? -32.410 -16.933 -14.509 0.25 11.74 ? 116 GLU   B O   1 
ATOM   973  O O   B GLU   A 1 110 ? -32.109 -16.817 -14.327 0.25 11.26 ? 116 GLU   B O   1 
ATOM   974  C CB  A GLU   A 1 110 ? -34.849 -18.092 -12.792 0.25 14.64 ? 116 GLU   B CB  1 
ATOM   975  C CB  B GLU   A 1 110 ? -34.882 -17.981 -13.037 0.25 13.17 ? 116 GLU   B CB  1 
ATOM   976  C CG  A GLU   A 1 110 ? -35.777 -18.134 -11.579 0.25 16.78 ? 116 GLU   B CG  1 
ATOM   977  C CG  B GLU   A 1 110 ? -36.008 -17.863 -12.004 0.25 14.97 ? 116 GLU   B CG  1 
ATOM   978  C CD  A GLU   A 1 110 ? -37.201 -18.517 -11.934 0.25 18.87 ? 116 GLU   B CD  1 
ATOM   979  C CD  B GLU   A 1 110 ? -36.161 -19.051 -11.061 0.25 15.60 ? 116 GLU   B CD  1 
ATOM   980  O OE1 A GLU   A 1 110 ? -37.588 -18.306 -13.106 0.25 21.30 ? 116 GLU   B OE1 1 
ATOM   981  O OE1 B GLU   A 1 110 ? -35.758 -20.175 -11.427 0.25 18.38 ? 116 GLU   B OE1 1 
ATOM   982  O OE2 A GLU   A 1 110 ? -37.920 -19.028 -11.048 0.25 20.42 ? 116 GLU   B OE2 1 
ATOM   983  O OE2 B GLU   A 1 110 ? -36.721 -18.860 -9.977  0.25 19.80 ? 116 GLU   B OE2 1 
ATOM   984  N N   . ALA   A 1 111 ? -31.896 -18.986 -13.686 1.00 11.83 ? 117 ALA   B N   1 
ATOM   985  C CA  . ALA   A 1 111 ? -31.123 -19.432 -14.855 1.00 11.40 ? 117 ALA   B CA  1 
ATOM   986  C C   . ALA   A 1 111 ? -32.032 -20.183 -15.822 1.00 12.05 ? 117 ALA   B C   1 
ATOM   987  O O   . ALA   A 1 111 ? -32.892 -20.971 -15.398 1.00 12.17 ? 117 ALA   B O   1 
ATOM   988  C CB  . ALA   A 1 111 ? -29.971 -20.337 -14.445 1.00 11.17 ? 117 ALA   B CB  1 
ATOM   989  N N   . GLY   A 1 112 ? -31.864 -19.897 -17.112 1.00 11.43 ? 118 GLY   B N   1 
ATOM   990  C CA  . GLY   A 1 112 ? -32.647 -20.478 -18.215 1.00 12.13 ? 118 GLY   B CA  1 
ATOM   991  C C   . GLY   A 1 112 ? -32.289 -21.916 -18.514 1.00 13.35 ? 118 GLY   B C   1 
ATOM   992  O O   . GLY   A 1 112 ? -31.997 -22.245 -19.639 1.00 14.52 ? 118 GLY   B O   1 
ATOM   993  N N   . THR   A 1 113 ? -32.281 -22.782 -17.507 1.00 14.78 ? 119 THR   B N   1 
ATOM   994  C CA  . THR   A 1 113 ? -32.279 -24.239 -17.702 1.00 16.39 ? 119 THR   B CA  1 
ATOM   995  C C   . THR   A 1 113 ? -33.717 -24.712 -17.987 1.00 16.81 ? 119 THR   B C   1 
ATOM   996  O O   . THR   A 1 113 ? -34.662 -23.937 -17.808 1.00 18.59 ? 119 THR   B O   1 
ATOM   997  C CB  . THR   A 1 113 ? -31.645 -24.888 -16.482 1.00 14.37 ? 119 THR   B CB  1 
ATOM   998  O OG1 . THR   A 1 113 ? -32.364 -24.435 -15.324 1.00 14.66 ? 119 THR   B OG1 1 
ATOM   999  C CG2 . THR   A 1 113 ? -30.190 -24.585 -16.293 1.00 14.90 ? 119 THR   B CG2 1 
ATOM   1000 N N   . SER   A 1 114 ? -33.910 -25.998 -18.272 1.00 20.33 ? 120 SER   B N   1 
ATOM   1001 C CA  . SER   A 1 114 ? -35.254 -26.589 -18.483 1.00 24.34 ? 120 SER   B CA  1 
ATOM   1002 C C   . SER   A 1 114 ? -35.452 -27.757 -17.517 1.00 23.16 ? 120 SER   B C   1 
ATOM   1003 O O   . SER   A 1 114 ? -34.765 -28.762 -17.650 1.00 25.45 ? 120 SER   B O   1 
ATOM   1004 C CB  . SER   A 1 114 ? -35.431 -27.056 -19.913 1.00 29.78 ? 120 SER   B CB  1 
ATOM   1005 O OG  . SER   A 1 114 ? -36.764 -27.528 -20.107 1.00 32.72 ? 120 SER   B OG  1 
ATOM   1006 N N   . PRO   A 1 115 ? -36.253 -27.638 -16.439 1.00 22.46 ? 121 PRO   B N   1 
ATOM   1007 C CA  . PRO   A 1 115 ? -36.891 -26.400 -16.025 1.00 21.47 ? 121 PRO   B CA  1 
ATOM   1008 C C   . PRO   A 1 115 ? -35.899 -25.388 -15.427 1.00 17.78 ? 121 PRO   B C   1 
ATOM   1009 O O   . PRO   A 1 115 ? -34.763 -25.720 -15.130 1.00 16.71 ? 121 PRO   B O   1 
ATOM   1010 C CB  . PRO   A 1 115 ? -37.832 -26.869 -14.908 1.00 25.09 ? 121 PRO   B CB  1 
ATOM   1011 C CG  . PRO   A 1 115 ? -37.096 -28.007 -14.262 1.00 24.36 ? 121 PRO   B CG  1 
ATOM   1012 C CD  . PRO   A 1 115 ? -36.411 -28.706 -15.426 1.00 24.70 ? 121 PRO   B CD  1 
ATOM   1013 N N   . GLN   A 1 116 ? -36.354 -24.162 -15.225 1.00 17.99 ? 122 GLN   B N   1 
ATOM   1014 C CA  . GLN   A 1 116 ? -35.506 -23.051 -14.731 1.00 17.57 ? 122 GLN   B CA  1 
ATOM   1015 C C   . GLN   A 1 116 ? -34.944 -23.354 -13.325 1.00 15.29 ? 122 GLN   B C   1 
ATOM   1016 O O   . GLN   A 1 116 ? -35.562 -24.102 -12.536 1.00 16.51 ? 122 GLN   B O   1 
ATOM   1017 C CB  . GLN   A 1 116 ? -36.244 -21.712 -14.794 1.00 22.05 ? 122 GLN   B CB  1 
ATOM   1018 C CG  . GLN   A 1 116 ? -37.303 -21.514 -13.738 1.00 28.05 ? 122 GLN   B CG  1 
ATOM   1019 C CD  . GLN   A 1 116 ? -38.682 -21.790 -14.274 1.00 39.20 ? 122 GLN   B CD  1 
ATOM   1020 O OE1 . GLN   A 1 116 ? -38.914 -22.754 -15.017 1.00 43.98 ? 122 GLN   B OE1 1 
ATOM   1021 N NE2 . GLN   A 1 116 ? -39.616 -20.937 -13.877 1.00 44.60 ? 122 GLN   B NE2 1 
ATOM   1022 N N   . THR   A 1 117 ? -33.835 -22.722 -12.998 1.00 13.98 ? 123 THR   B N   1 
ATOM   1023 C CA  . THR   A 1 117 ? -33.095 -22.921 -11.746 1.00 12.56 ? 123 THR   B CA  1 
ATOM   1024 C C   . THR   A 1 117 ? -33.106 -21.612 -10.955 1.00 13.20 ? 123 THR   B C   1 
ATOM   1025 O O   . THR   A 1 117 ? -32.633 -20.569 -11.454 1.00 13.22 ? 123 THR   B O   1 
ATOM   1026 C CB  . THR   A 1 117 ? -31.665 -23.395 -12.035 1.00 13.38 ? 123 THR   B CB  1 
ATOM   1027 O OG1 . THR   A 1 117 ? -31.702 -24.621 -12.750 1.00 14.24 ? 123 THR   B OG1 1 
ATOM   1028 C CG2 . THR   A 1 117 ? -30.906 -23.578 -10.750 1.00 13.79 ? 123 THR   B CG2 1 
ATOM   1029 N N   . THR   A 1 118 ? -33.543 -21.673 -9.716  1.00 13.69 ? 124 THR   B N   1 
ATOM   1030 C CA  . THR   A 1 118 ? -33.484 -20.529 -8.772  1.00 14.18 ? 124 THR   B CA  1 
ATOM   1031 C C   . THR   A 1 118 ? -32.060 -20.051 -8.540  1.00 13.96 ? 124 THR   B C   1 
ATOM   1032 O O   . THR   A 1 118 ? -31.158 -20.894 -8.253  1.00 14.55 ? 124 THR   B O   1 
ATOM   1033 C CB  . THR   A 1 118 ? -34.061 -20.961 -7.411  1.00 18.47 ? 124 THR   B CB  1 
ATOM   1034 O OG1 . THR   A 1 118 ? -35.431 -21.258 -7.666  1.00 22.70 ? 124 THR   B OG1 1 
ATOM   1035 C CG2 . THR   A 1 118 ? -33.873 -19.928 -6.329  1.00 20.05 ? 124 THR   B CG2 1 
ATOM   1036 N N   . LEU   A 1 119 ? -31.810 -18.750 -8.664  1.00 11.66 ? 125 LEU   B N   1 
ATOM   1037 C CA  . LEU   A 1 119 ? -30.512 -18.118 -8.336  1.00 11.47 ? 125 LEU   B CA  1 
ATOM   1038 C C   . LEU   A 1 119 ? -30.564 -17.526 -6.927  1.00 13.49 ? 125 LEU   B C   1 
ATOM   1039 O O   . LEU   A 1 119 ? -31.674 -17.207 -6.413  1.00 17.52 ? 125 LEU   B O   1 
ATOM   1040 C CB  . LEU   A 1 119 ? -30.136 -17.046 -9.350  1.00 11.65 ? 125 LEU   B CB  1 
ATOM   1041 C CG  . LEU   A 1 119 ? -30.035 -17.563 -10.791 1.00 10.97 ? 125 LEU   B CG  1 
ATOM   1042 C CD1 . LEU   A 1 119 ? -29.815 -16.428 -11.752 1.00 11.65 ? 125 LEU   B CD1 1 
ATOM   1043 C CD2 . LEU   A 1 119 ? -28.927 -18.600 -10.957 1.00 11.75 ? 125 LEU   B CD2 1 
ATOM   1044 N N   . HIS   A 1 120 ? -29.411 -17.448 -6.282  1.00 12.97 ? 126 HIS   B N   1 
ATOM   1045 C CA  . HIS   A 1 120 ? -29.286 -16.977 -4.878  1.00 13.07 ? 126 HIS   B CA  1 
ATOM   1046 C C   . HIS   A 1 120 ? -28.490 -15.691 -4.936  1.00 15.91 ? 126 HIS   B C   1 
ATOM   1047 O O   . HIS   A 1 120 ? -27.242 -15.734 -5.002  1.00 20.34 ? 126 HIS   B O   1 
ATOM   1048 C CB  . HIS   A 1 120 ? -28.601 -18.073 -4.021  1.00 14.50 ? 126 HIS   B CB  1 
ATOM   1049 C CG  . HIS   A 1 120 ? -29.342 -19.369 -3.980  1.00 14.49 ? 126 HIS   B CG  1 
ATOM   1050 N ND1 . HIS   A 1 120 ? -29.052 -20.442 -4.822  1.00 16.35 ? 126 HIS   B ND1 1 
ATOM   1051 C CD2 . HIS   A 1 120 ? -30.404 -19.751 -3.243  1.00 16.48 ? 126 HIS   B CD2 1 
ATOM   1052 C CE1 . HIS   A 1 120 ? -29.896 -21.415 -4.560  1.00 17.82 ? 126 HIS   B CE1 1 
ATOM   1053 N NE2 . HIS   A 1 120 ? -30.735 -21.020 -3.608  1.00 16.78 ? 126 HIS   B NE2 1 
ATOM   1054 N N   . ILE   A 1 121 ? -29.168 -14.558 -4.948  1.00 17.17 ? 127 ILE   B N   1 
ATOM   1055 C CA  . ILE   A 1 121 ? -28.501 -13.234 -5.085  1.00 18.45 ? 127 ILE   B CA  1 
ATOM   1056 C C   . ILE   A 1 121 ? -28.884 -12.396 -3.849  1.00 18.41 ? 127 ILE   B C   1 
ATOM   1057 O O   . ILE   A 1 121 ? -30.051 -12.149 -3.642  1.00 23.82 ? 127 ILE   B O   1 
ATOM   1058 C CB  . ILE   A 1 121 ? -28.891 -12.571 -6.430  1.00 19.27 ? 127 ILE   B CB  1 
ATOM   1059 C CG1 . ILE   A 1 121 ? -28.382 -13.404 -7.623  1.00 19.09 ? 127 ILE   B CG1 1 
ATOM   1060 C CG2 . ILE   A 1 121 ? -28.333 -11.162 -6.423  1.00 24.68 ? 127 ILE   B CG2 1 
ATOM   1061 C CD1 . ILE   A 1 121 ? -28.628 -12.808 -9.000  1.00 20.57 ? 127 ILE   B CD1 1 
ATOM   1062 N N   . GLN   A 1 122 ? -27.904 -12.047 -3.030  1.00 20.30 ? 128 GLN   B N   1 
ATOM   1063 C CA  . GLN   A 1 122 ? -28.117 -11.236 -1.797  1.00 22.83 ? 128 GLN   B CA  1 
ATOM   1064 C C   . GLN   A 1 122 ? -28.131 -9.745  -2.162  1.00 22.47 ? 128 GLN   B C   1 
ATOM   1065 O O   . GLN   A 1 122 ? -28.891 -8.997  -1.511  1.00 20.56 ? 128 GLN   B O   1 
ATOM   1066 C CB  . GLN   A 1 122 ? -27.010 -11.595 -0.798  1.00 26.86 ? 128 GLN   B CB  1 
ATOM   1067 C CG  . GLN   A 1 122 ? -27.034 -10.794 0.510   1.00 33.83 ? 128 GLN   B CG  1 
ATOM   1068 C CD  . GLN   A 1 122 ? -28.264 -10.987 1.373   1.00 37.65 ? 128 GLN   B CD  1 
ATOM   1069 O OE1 . GLN   A 1 122 ? -28.994 -11.970 1.263   1.00 40.44 ? 128 GLN   B OE1 1 
ATOM   1070 N NE2 . GLN   A 1 122 ? -28.511 -10.027 2.254   1.00 40.61 ? 128 GLN   B NE2 1 
ATOM   1071 N N   . VAL   A 1 123 ? -27.337 -9.340  -3.150  1.00 19.50 ? 129 VAL   B N   1 
ATOM   1072 C CA  . VAL   A 1 123 ? -27.173 -7.913  -3.578  1.00 18.17 ? 129 VAL   B CA  1 
ATOM   1073 C C   . VAL   A 1 123 ? -27.734 -7.749  -4.988  1.00 18.14 ? 129 VAL   B C   1 
ATOM   1074 O O   . VAL   A 1 123 ? -27.084 -8.227  -5.939  1.00 15.00 ? 129 VAL   B O   1 
ATOM   1075 C CB  . VAL   A 1 123 ? -25.696 -7.502  -3.555  1.00 19.73 ? 129 VAL   B CB  1 
ATOM   1076 C CG1 . VAL   A 1 123 ? -25.474 -6.076  -4.053  1.00 19.95 ? 129 VAL   B CG1 1 
ATOM   1077 C CG2 . VAL   A 1 123 ? -25.132 -7.650  -2.139  1.00 21.17 ? 129 VAL   B CG2 1 
ATOM   1078 N N   . PRO   A 1 124 ? -28.950 -7.192  -5.204  1.00 16.13 ? 130 PRO   B N   1 
ATOM   1079 C CA  . PRO   A 1 124 ? -29.493 -7.084  -6.564  1.00 17.29 ? 130 PRO   B CA  1 
ATOM   1080 C C   . PRO   A 1 124 ? -28.504 -6.393  -7.492  1.00 15.29 ? 130 PRO   B C   1 
ATOM   1081 O O   . PRO   A 1 124 ? -27.982 -5.330  -7.211  1.00 15.68 ? 130 PRO   B O   1 
ATOM   1082 C CB  . PRO   A 1 124 ? -30.777 -6.255  -6.357  1.00 18.91 ? 130 PRO   B CB  1 
ATOM   1083 C CG  . PRO   A 1 124 ? -31.202 -6.679  -4.939  1.00 19.59 ? 130 PRO   B CG  1 
ATOM   1084 C CD  . PRO   A 1 124 ? -29.906 -6.689  -4.194  1.00 17.99 ? 130 PRO   B CD  1 
ATOM   1085 N N   . PRO   A 1 125 ? -28.100 -7.029  -8.601  1.00 13.94 ? 131 PRO   B N   1 
ATOM   1086 C CA  . PRO   A 1 125 ? -27.098 -6.442  -9.467  1.00 14.35 ? 131 PRO   B CA  1 
ATOM   1087 C C   . PRO   A 1 125 ? -27.600 -5.241  -10.267 1.00 13.58 ? 131 PRO   B C   1 
ATOM   1088 O O   . PRO   A 1 125 ? -28.683 -5.293  -10.797 1.00 14.79 ? 131 PRO   B O   1 
ATOM   1089 C CB  . PRO   A 1 125 ? -26.690 -7.585  -10.410 1.00 15.31 ? 131 PRO   B CB  1 
ATOM   1090 C CG  . PRO   A 1 125 ? -27.727 -8.636  -10.268 1.00 16.61 ? 131 PRO   B CG  1 
ATOM   1091 C CD  . PRO   A 1 125 ? -28.501 -8.381  -9.010  1.00 14.80 ? 131 PRO   B CD  1 
ATOM   1092 N N   . CYS   A 1 126 ? -26.741 -4.245  -10.387 1.00 13.42 ? 132 CYS   B N   1 
ATOM   1093 C CA  . CYS   A 1 126 ? -26.928 -3.125  -11.331 1.00 13.40 ? 132 CYS   B CA  1 
ATOM   1094 C C   . CYS   A 1 126 ? -26.138 -3.390  -12.617 1.00 13.25 ? 132 CYS   B C   1 
ATOM   1095 O O   . CYS   A 1 126 ? -26.454 -2.805  -13.652 1.00 12.18 ? 132 CYS   B O   1 
ATOM   1096 C CB  . CYS   A 1 126 ? -26.489 -1.797  -10.738 1.00 15.85 ? 132 CYS   B CB  1 
ATOM   1097 S SG  . CYS   A 1 126 ? -27.502 -1.359  -9.297  1.00 22.95 ? 132 CYS   B SG  1 
ATOM   1098 N N   A GLN   A 1 127 ? -25.069 -4.194  -12.563 0.25 13.24 ? 133 GLN   B N   1 
ATOM   1099 N N   B GLN   A 1 127 ? -25.121 -4.248  -12.540 0.25 13.94 ? 133 GLN   B N   1 
ATOM   1100 C CA  A GLN   A 1 127 ? -24.317 -4.602  -13.784 0.25 13.61 ? 133 GLN   B CA  1 
ATOM   1101 C CA  B GLN   A 1 127 ? -24.298 -4.623  -13.714 0.25 14.86 ? 133 GLN   B CA  1 
ATOM   1102 C C   A GLN   A 1 127 ? -23.929 -6.081  -13.668 0.25 13.18 ? 133 GLN   B C   1 
ATOM   1103 C C   B GLN   A 1 127 ? -24.031 -6.130  -13.634 0.25 14.00 ? 133 GLN   B C   1 
ATOM   1104 O O   A GLN   A 1 127 ? -23.520 -6.521  -12.558 0.25 11.99 ? 133 GLN   B O   1 
ATOM   1105 O O   B GLN   A 1 127 ? -23.890 -6.669  -12.499 0.25 12.67 ? 133 GLN   B O   1 
ATOM   1106 C CB  A GLN   A 1 127 ? -23.041 -3.794  -14.055 0.25 15.01 ? 133 GLN   B CB  1 
ATOM   1107 C CB  B GLN   A 1 127 ? -23.011 -3.796  -13.787 0.25 17.57 ? 133 GLN   B CB  1 
ATOM   1108 C CG  A GLN   A 1 127 ? -23.257 -2.304  -14.266 0.25 16.11 ? 133 GLN   B CG  1 
ATOM   1109 C CG  B GLN   A 1 127 ? -23.242 -2.305  -13.991 0.25 19.61 ? 133 GLN   B CG  1 
ATOM   1110 C CD  A GLN   A 1 127 ? -23.125 -1.555  -12.966 0.25 17.06 ? 133 GLN   B CD  1 
ATOM   1111 C CD  B GLN   A 1 127 ? -21.950 -1.535  -14.114 0.25 21.23 ? 133 GLN   B CD  1 
ATOM   1112 O OE1 A GLN   A 1 127 ? -22.307 -1.908  -12.118 0.25 17.18 ? 133 GLN   B OE1 1 
ATOM   1113 O OE1 B GLN   A 1 127 ? -20.863 -2.093  -14.012 0.25 25.91 ? 133 GLN   B OE1 1 
ATOM   1114 N NE2 A GLN   A 1 127 ? -23.930 -0.516  -12.804 0.25 16.26 ? 133 GLN   B NE2 1 
ATOM   1115 N NE2 B GLN   A 1 127 ? -22.061 -0.237  -14.317 0.25 23.60 ? 133 GLN   B NE2 1 
ATOM   1116 N N   . ILE   A 1 128 ? -24.056 -6.787  -14.796 1.00 12.37 ? 134 ILE   B N   1 
ATOM   1117 C CA  . ILE   A 1 128 ? -23.870 -8.260  -14.944 1.00 12.76 ? 134 ILE   B CA  1 
ATOM   1118 C C   . ILE   A 1 128 ? -22.661 -8.457  -15.852 1.00 11.73 ? 134 ILE   B C   1 
ATOM   1119 O O   . ILE   A 1 128 ? -22.588 -7.842  -16.928 1.00 11.87 ? 134 ILE   B O   1 
ATOM   1120 C CB  . ILE   A 1 128 ? -25.127 -8.899  -15.556 1.00 13.67 ? 134 ILE   B CB  1 
ATOM   1121 C CG1 . ILE   A 1 128 ? -26.403 -8.710  -14.707 1.00 16.17 ? 134 ILE   B CG1 1 
ATOM   1122 C CG2 . ILE   A 1 128 ? -24.851 -10.364 -15.876 1.00 14.19 ? 134 ILE   B CG2 1 
ATOM   1123 C CD1 . ILE   A 1 128 ? -26.410 -9.512  -13.499 1.00 15.55 ? 134 ILE   B CD1 1 
ATOM   1124 N N   . GLY   A 1 129 ? -21.704 -9.302  -15.450 1.00 11.42 ? 135 GLY   B N   1 
ATOM   1125 C CA  . GLY   A 1 129 ? -20.609 -9.724  -16.327 1.00 11.81 ? 135 GLY   B CA  1 
ATOM   1126 C C   . GLY   A 1 129 ? -20.916 -11.085 -16.912 1.00 11.80 ? 135 GLY   B C   1 
ATOM   1127 O O   . GLY   A 1 129 ? -21.431 -11.956 -16.201 1.00 11.20 ? 135 GLY   B O   1 
ATOM   1128 N N   . ILE   A 1 130 ? -20.662 -11.255 -18.206 1.00 12.43 ? 136 ILE   B N   1 
ATOM   1129 C CA  . ILE   A 1 130 ? -20.886 -12.543 -18.917 1.00 10.88 ? 136 ILE   B CA  1 
ATOM   1130 C C   . ILE   A 1 130 ? -19.561 -13.034 -19.499 1.00 11.83 ? 136 ILE   B C   1 
ATOM   1131 O O   . ILE   A 1 130 ? -18.855 -12.289 -20.203 1.00 11.44 ? 136 ILE   B O   1 
ATOM   1132 C CB  . ILE   A 1 130 ? -21.957 -12.353 -20.001 1.00 12.54 ? 136 ILE   B CB  1 
ATOM   1133 C CG1 . ILE   A 1 130 ? -23.267 -11.879 -19.361 1.00 13.98 ? 136 ILE   B CG1 1 
ATOM   1134 C CG2 . ILE   A 1 130 ? -22.154 -13.616 -20.816 1.00 14.45 ? 136 ILE   B CG2 1 
ATOM   1135 C CD1 . ILE   A 1 130 ? -24.247 -11.372 -20.362 1.00 15.55 ? 136 ILE   B CD1 1 
ATOM   1136 N N   . PHE   A 1 131 ? -19.175 -14.232 -19.112 1.00 10.97 ? 137 PHE   B N   1 
ATOM   1137 C CA  . PHE   A 1 131 ? -17.960 -14.894 -19.618 1.00 11.85 ? 137 PHE   B CA  1 
ATOM   1138 C C   . PHE   A 1 131 ? -18.338 -16.114 -20.433 1.00 11.26 ? 137 PHE   B C   1 
ATOM   1139 O O   . PHE   A 1 131 ? -19.092 -16.972 -19.955 1.00 11.76 ? 137 PHE   B O   1 
ATOM   1140 C CB  . PHE   A 1 131 ? -17.077 -15.279 -18.429 1.00 12.53 ? 137 PHE   B CB  1 
ATOM   1141 C CG  . PHE   A 1 131 ? -15.818 -16.039 -18.785 1.00 12.98 ? 137 PHE   B CG  1 
ATOM   1142 C CD1 . PHE   A 1 131 ? -14.807 -15.402 -19.486 1.00 14.60 ? 137 PHE   B CD1 1 
ATOM   1143 C CD2 . PHE   A 1 131 ? -15.663 -17.352 -18.424 1.00 15.46 ? 137 PHE   B CD2 1 
ATOM   1144 C CE1 . PHE   A 1 131 ? -13.635 -16.087 -19.794 1.00 16.84 ? 137 PHE   B CE1 1 
ATOM   1145 C CE2 . PHE   A 1 131 ? -14.525 -18.062 -18.795 1.00 17.08 ? 137 PHE   B CE2 1 
ATOM   1146 C CZ  . PHE   A 1 131 ? -13.505 -17.408 -19.433 1.00 16.09 ? 137 PHE   B CZ  1 
ATOM   1147 N N   . VAL   A 1 132 ? -17.730 -16.243 -21.602 1.00 11.78 ? 138 VAL   B N   1 
ATOM   1148 C CA  . VAL   A 1 132 ? -17.892 -17.454 -22.454 1.00 12.40 ? 138 VAL   B CA  1 
ATOM   1149 C C   . VAL   A 1 132 ? -16.511 -18.047 -22.747 1.00 11.88 ? 138 VAL   B C   1 
ATOM   1150 O O   . VAL   A 1 132 ? -15.640 -17.336 -23.224 1.00 12.91 ? 138 VAL   B O   1 
ATOM   1151 C CB  . VAL   A 1 132 ? -18.620 -17.116 -23.762 1.00 12.21 ? 138 VAL   B CB  1 
ATOM   1152 C CG1 . VAL   A 1 132 ? -18.759 -18.347 -24.675 1.00 13.57 ? 138 VAL   B CG1 1 
ATOM   1153 C CG2 . VAL   A 1 132 ? -19.973 -16.500 -23.438 1.00 13.02 ? 138 VAL   B CG2 1 
ATOM   1154 N N   . ASP   A 1 133 ? -16.328 -19.310 -22.431 1.00 12.44 ? 139 ASP   B N   1 
ATOM   1155 C CA  . ASP   A 1 133 ? -15.142 -20.073 -22.890 1.00 12.33 ? 139 ASP   B CA  1 
ATOM   1156 C C   . ASP   A 1 133 ? -15.657 -21.109 -23.901 1.00 11.99 ? 139 ASP   B C   1 
ATOM   1157 O O   . ASP   A 1 133 ? -16.299 -22.128 -23.527 1.00 11.78 ? 139 ASP   B O   1 
ATOM   1158 C CB  . ASP   A 1 133 ? -14.415 -20.696 -21.721 1.00 13.23 ? 139 ASP   B CB  1 
ATOM   1159 C CG  . ASP   A 1 133 ? -13.136 -21.421 -22.117 1.00 15.95 ? 139 ASP   B CG  1 
ATOM   1160 O OD1 . ASP   A 1 133 ? -13.035 -21.885 -23.278 1.00 17.76 ? 139 ASP   B OD1 1 
ATOM   1161 O OD2 . ASP   A 1 133 ? -12.328 -21.608 -21.155 1.00 18.91 ? 139 ASP   B OD2 1 
ATOM   1162 N N   . TYR   A 1 134 ? -15.422 -20.836 -25.188 1.00 12.95 ? 140 TYR   B N   1 
ATOM   1163 C CA  . TYR   A 1 134 ? -16.009 -21.651 -26.285 1.00 12.20 ? 140 TYR   B CA  1 
ATOM   1164 C C   . TYR   A 1 134 ? -15.499 -23.109 -26.190 1.00 13.54 ? 140 TYR   B C   1 
ATOM   1165 O O   . TYR   A 1 134 ? -16.265 -24.076 -26.123 1.00 14.42 ? 140 TYR   B O   1 
ATOM   1166 C CB  . TYR   A 1 134 ? -15.755 -21.024 -27.673 1.00 12.38 ? 140 TYR   B CB  1 
ATOM   1167 C CG  . TYR   A 1 134 ? -16.666 -21.631 -28.702 1.00 12.90 ? 140 TYR   B CG  1 
ATOM   1168 C CD1 . TYR   A 1 134 ? -16.473 -22.914 -29.170 1.00 12.91 ? 140 TYR   B CD1 1 
ATOM   1169 C CD2 . TYR   A 1 134 ? -17.793 -20.953 -29.141 1.00 12.84 ? 140 TYR   B CD2 1 
ATOM   1170 C CE1 . TYR   A 1 134 ? -17.340 -23.512 -30.053 1.00 13.36 ? 140 TYR   B CE1 1 
ATOM   1171 C CE2 . TYR   A 1 134 ? -18.700 -21.553 -29.996 1.00 12.79 ? 140 TYR   B CE2 1 
ATOM   1172 C CZ  . TYR   A 1 134 ? -18.444 -22.816 -30.521 1.00 12.33 ? 140 TYR   B CZ  1 
ATOM   1173 O OH  . TYR   A 1 134 ? -19.335 -23.470 -31.309 1.00 12.32 ? 140 TYR   B OH  1 
ATOM   1174 N N   . GLU   A 1 135 ? -14.194 -23.252 -26.067 1.00 15.05 ? 141 GLU   B N   1 
ATOM   1175 C CA  . GLU   A 1 135 ? -13.556 -24.592 -26.096 1.00 16.25 ? 141 GLU   B CA  1 
ATOM   1176 C C   . GLU   A 1 135 ? -13.997 -25.397 -24.887 1.00 14.61 ? 141 GLU   B C   1 
ATOM   1177 O O   . GLU   A 1 135 ? -14.330 -26.573 -25.059 1.00 17.48 ? 141 GLU   B O   1 
ATOM   1178 C CB  . GLU   A 1 135 ? -12.030 -24.515 -26.199 1.00 17.77 ? 141 GLU   B CB  1 
ATOM   1179 C CG  . GLU   A 1 135 ? -11.581 -24.362 -27.657 1.00 23.38 ? 141 GLU   B CG  1 
ATOM   1180 C CD  . GLU   A 1 135 ? -11.918 -23.038 -28.259 1.00 24.24 ? 141 GLU   B CD  1 
ATOM   1181 O OE1 . GLU   A 1 135 ? -12.137 -22.990 -29.432 1.00 25.48 ? 141 GLU   B OE1 1 
ATOM   1182 O OE2 . GLU   A 1 135 ? -11.986 -22.034 -27.509 1.00 30.18 ? 141 GLU   B OE2 1 
ATOM   1183 N N   . ALA   A 1 136 ? -14.029 -24.789 -23.702 1.00 14.53 ? 142 ALA   B N   1 
ATOM   1184 C CA  . ALA   A 1 136 ? -14.396 -25.463 -22.457 1.00 15.55 ? 142 ALA   B CA  1 
ATOM   1185 C C   . ALA   A 1 136 ? -15.900 -25.763 -22.398 1.00 15.51 ? 142 ALA   B C   1 
ATOM   1186 O O   . ALA   A 1 136 ? -16.293 -26.609 -21.568 1.00 18.08 ? 142 ALA   B O   1 
ATOM   1187 C CB  . ALA   A 1 136 ? -13.956 -24.639 -21.266 1.00 15.60 ? 142 ALA   B CB  1 
ATOM   1188 N N   . GLY   A 1 137 ? -16.749 -25.124 -23.210 1.00 13.31 ? 143 GLY   B N   1 
ATOM   1189 C CA  . GLY   A 1 137 ? -18.202 -25.257 -23.106 1.00 13.18 ? 143 GLY   B CA  1 
ATOM   1190 C C   . GLY   A 1 137 ? -18.762 -24.624 -21.839 1.00 11.76 ? 143 GLY   B C   1 
ATOM   1191 O O   . GLY   A 1 137 ? -19.536 -25.308 -21.144 1.00 12.61 ? 143 GLY   B O   1 
ATOM   1192 N N   . VAL   A 1 138 ? -18.366 -23.405 -21.534 1.00 12.42 ? 144 VAL   B N   1 
ATOM   1193 C CA  . VAL   A 1 138 ? -18.754 -22.709 -20.270 1.00 11.96 ? 144 VAL   B CA  1 
ATOM   1194 C C   . VAL   A 1 138 ? -19.351 -21.350 -20.586 1.00 11.12 ? 144 VAL   B C   1 
ATOM   1195 O O   . VAL   A 1 138 ? -18.762 -20.580 -21.379 1.00 12.15 ? 144 VAL   B O   1 
ATOM   1196 C CB  . VAL   A 1 138 ? -17.524 -22.580 -19.356 1.00 12.89 ? 144 VAL   B CB  1 
ATOM   1197 C CG1 . VAL   A 1 138 ? -17.748 -21.581 -18.214 1.00 13.73 ? 144 VAL   B CG1 1 
ATOM   1198 C CG2 . VAL   A 1 138 ? -17.093 -23.945 -18.853 1.00 14.27 ? 144 VAL   B CG2 1 
ATOM   1199 N N   . VAL   A 1 139 ? -20.453 -21.035 -19.896 1.00 11.18 ? 145 VAL   B N   1 
ATOM   1200 C CA  . VAL   A 1 139 ? -21.002 -19.655 -19.866 1.00 10.99 ? 145 VAL   B CA  1 
ATOM   1201 C C   . VAL   A 1 139 ? -21.205 -19.269 -18.402 1.00 10.17 ? 145 VAL   B C   1 
ATOM   1202 O O   . VAL   A 1 139 ? -21.964 -19.988 -17.715 1.00 11.88 ? 145 VAL   B O   1 
ATOM   1203 C CB  . VAL   A 1 139 ? -22.332 -19.536 -20.614 1.00 11.09 ? 145 VAL   B CB  1 
ATOM   1204 C CG1 . VAL   A 1 139 ? -22.797 -18.085 -20.613 1.00 11.33 ? 145 VAL   B CG1 1 
ATOM   1205 C CG2 . VAL   A 1 139 ? -22.167 -20.098 -22.031 1.00 11.00 ? 145 VAL   B CG2 1 
ATOM   1206 N N   . SER   A 1 140 ? -20.554 -18.224 -17.919 1.00 10.92 ? 146 SER   B N   1 
ATOM   1207 C CA  . SER   A 1 140 ? -20.665 -17.833 -16.502 1.00 11.52 ? 146 SER   B CA  1 
ATOM   1208 C C   . SER   A 1 140 ? -21.150 -16.394 -16.383 1.00 10.73 ? 146 SER   B C   1 
ATOM   1209 O O   . SER   A 1 140 ? -20.832 -15.566 -17.241 1.00 11.44 ? 146 SER   B O   1 
ATOM   1210 C CB  . SER   A 1 140 ? -19.347 -17.991 -15.782 1.00 11.36 ? 146 SER   B CB  1 
ATOM   1211 O OG  . SER   A 1 140 ? -19.012 -19.377 -15.656 1.00 12.83 ? 146 SER   B OG  1 
ATOM   1212 N N   . PHE   A 1 141 ? -21.872 -16.123 -15.303 1.00 10.61 ? 147 PHE   B N   1 
ATOM   1213 C CA  . PHE   A 1 141 ? -22.494 -14.821 -15.012 1.00 11.08 ? 147 PHE   B CA  1 
ATOM   1214 C C   . PHE   A 1 141 ? -21.984 -14.313 -13.669 1.00 11.24 ? 147 PHE   B C   1 
ATOM   1215 O O   . PHE   A 1 141 ? -22.018 -15.118 -12.665 1.00 10.81 ? 147 PHE   B O   1 
ATOM   1216 C CB  . PHE   A 1 141 ? -24.032 -14.917 -14.988 1.00 11.18 ? 147 PHE   B CB  1 
ATOM   1217 C CG  . PHE   A 1 141 ? -24.620 -15.330 -16.313 1.00 9.98  ? 147 PHE   B CG  1 
ATOM   1218 C CD1 . PHE   A 1 141 ? -24.686 -16.671 -16.693 1.00 10.59 ? 147 PHE   B CD1 1 
ATOM   1219 C CD2 . PHE   A 1 141 ? -25.107 -14.375 -17.208 1.00 10.22 ? 147 PHE   B CD2 1 
ATOM   1220 C CE1 . PHE   A 1 141 ? -25.188 -17.034 -17.943 1.00 10.40 ? 147 PHE   B CE1 1 
ATOM   1221 C CE2 . PHE   A 1 141 ? -25.628 -14.754 -18.439 1.00 10.08 ? 147 PHE   B CE2 1 
ATOM   1222 C CZ  . PHE   A 1 141 ? -25.641 -16.075 -18.827 1.00 9.86  ? 147 PHE   B CZ  1 
ATOM   1223 N N   . TYR   A 1 142 ? -21.627 -13.037 -13.605 1.00 11.06 ? 148 TYR   B N   1 
ATOM   1224 C CA  . TYR   A 1 142 ? -20.991 -12.422 -12.407 1.00 12.85 ? 148 TYR   B CA  1 
ATOM   1225 C C   . TYR   A 1 142 ? -21.789 -11.187 -11.991 1.00 12.02 ? 148 TYR   B C   1 
ATOM   1226 O O   . TYR   A 1 142 ? -22.243 -10.405 -12.818 1.00 12.07 ? 148 TYR   B O   1 
ATOM   1227 C CB  . TYR   A 1 142 ? -19.513 -12.134 -12.665 1.00 13.30 ? 148 TYR   B CB  1 
ATOM   1228 C CG  . TYR   A 1 142 ? -18.710 -13.392 -12.941 1.00 13.80 ? 148 TYR   B CG  1 
ATOM   1229 C CD1 . TYR   A 1 142 ? -18.220 -14.144 -11.890 1.00 15.25 ? 148 TYR   B CD1 1 
ATOM   1230 C CD2 . TYR   A 1 142 ? -18.503 -13.852 -14.227 1.00 13.64 ? 148 TYR   B CD2 1 
ATOM   1231 C CE1 . TYR   A 1 142 ? -17.516 -15.317 -12.131 1.00 15.54 ? 148 TYR   B CE1 1 
ATOM   1232 C CE2 . TYR   A 1 142 ? -17.804 -15.019 -14.477 1.00 13.85 ? 148 TYR   B CE2 1 
ATOM   1233 C CZ  . TYR   A 1 142 ? -17.274 -15.744 -13.422 1.00 15.33 ? 148 TYR   B CZ  1 
ATOM   1234 O OH  . TYR   A 1 142 ? -16.607 -16.935 -13.713 1.00 16.57 ? 148 TYR   B OH  1 
ATOM   1235 N N   . ASN   A 1 143 ? -21.838 -10.939 -10.692 1.00 13.30 ? 149 ASN   B N   1 
ATOM   1236 C CA  . ASN   A 1 143 ? -22.554 -9.794  -10.066 1.00 12.43 ? 149 ASN   B CA  1 
ATOM   1237 C C   . ASN   A 1 143 ? -21.548 -8.668  -9.865  1.00 12.77 ? 149 ASN   B C   1 
ATOM   1238 O O   . ASN   A 1 143 ? -20.776 -8.700  -8.855  1.00 13.90 ? 149 ASN   B O   1 
ATOM   1239 C CB  . ASN   A 1 143 ? -23.184 -10.237 -8.748  1.00 12.27 ? 149 ASN   B CB  1 
ATOM   1240 C CG  . ASN   A 1 143 ? -24.017 -9.141  -8.097  1.00 12.85 ? 149 ASN   B CG  1 
ATOM   1241 O OD1 . ASN   A 1 143 ? -23.854 -7.976  -8.453  1.00 14.52 ? 149 ASN   B OD1 1 
ATOM   1242 N ND2 . ASN   A 1 143 ? -24.902 -9.532  -7.217  1.00 13.59 ? 149 ASN   B ND2 1 
ATOM   1243 N N   . ILE   A 1 144 ? -21.434 -7.718  -10.767 1.00 13.87 ? 150 ILE   B N   1 
ATOM   1244 C CA  . ILE   A 1 144 ? -20.367 -6.693  -10.692 1.00 15.14 ? 150 ILE   B CA  1 
ATOM   1245 C C   . ILE   A 1 144 ? -20.629 -5.815  -9.458  1.00 17.41 ? 150 ILE   B C   1 
ATOM   1246 O O   . ILE   A 1 144 ? -19.646 -5.348  -8.844  1.00 18.73 ? 150 ILE   B O   1 
ATOM   1247 C CB  . ILE   A 1 144 ? -20.349 -5.885  -11.993 1.00 15.76 ? 150 ILE   B CB  1 
ATOM   1248 C CG1 . ILE   A 1 144 ? -20.156 -6.741  -13.259 1.00 18.52 ? 150 ILE   B CG1 1 
ATOM   1249 C CG2 . ILE   A 1 144 ? -19.329 -4.764  -11.903 1.00 17.35 ? 150 ILE   B CG2 1 
ATOM   1250 C CD1 . ILE   A 1 144 ? -19.037 -7.723  -13.175 1.00 22.78 ? 150 ILE   B CD1 1 
ATOM   1251 N N   . THR   A 1 145 ? -21.882 -5.610  -9.088  1.00 15.91 ? 151 THR   B N   1 
ATOM   1252 C CA  . THR   A 1 145 ? -22.263 -4.741  -7.937  1.00 17.50 ? 151 THR   B CA  1 
ATOM   1253 C C   . THR   A 1 145 ? -21.718 -5.368  -6.652  1.00 19.77 ? 151 THR   B C   1 
ATOM   1254 O O   . THR   A 1 145 ? -21.341 -4.593  -5.764  1.00 24.25 ? 151 THR   B O   1 
ATOM   1255 C CB  . THR   A 1 145 ? -23.787 -4.603  -7.872  1.00 16.66 ? 151 THR   B CB  1 
ATOM   1256 O OG1 . THR   A 1 145 ? -24.197 -4.111  -9.135  1.00 16.19 ? 151 THR   B OG1 1 
ATOM   1257 C CG2 . THR   A 1 145 ? -24.247 -3.640  -6.800  1.00 19.00 ? 151 THR   B CG2 1 
ATOM   1258 N N   . ASP   A 1 146 ? -21.682 -6.693  -6.554  1.00 17.32 ? 152 ASP   B N   1 
ATOM   1259 C CA  . ASP   A 1 146 ? -21.174 -7.476  -5.389  1.00 19.07 ? 152 ASP   B CA  1 
ATOM   1260 C C   . ASP   A 1 146 ? -19.752 -7.991  -5.628  1.00 20.19 ? 152 ASP   B C   1 
ATOM   1261 O O   . ASP   A 1 146 ? -19.530 -9.198  -5.463  1.00 20.10 ? 152 ASP   B O   1 
ATOM   1262 C CB  . ASP   A 1 146 ? -22.178 -8.533  -5.028  1.00 19.00 ? 152 ASP   B CB  1 
ATOM   1263 C CG  . ASP   A 1 146 ? -21.836 -9.288  -3.771  1.00 24.10 ? 152 ASP   B CG  1 
ATOM   1264 O OD1 . ASP   A 1 146 ? -21.407 -8.616  -2.784  1.00 22.90 ? 152 ASP   B OD1 1 
ATOM   1265 O OD2 . ASP   A 1 146 ? -21.931 -10.513 -3.831  1.00 22.88 ? 152 ASP   B OD2 1 
ATOM   1266 N N   . HIS   A 1 147 ? -18.835 -7.112  -6.007  1.00 21.56 ? 153 HIS   B N   1 
ATOM   1267 C CA  . HIS   A 1 147 ? -17.387 -7.436  -6.128  1.00 25.09 ? 153 HIS   B CA  1 
ATOM   1268 C C   . HIS   A 1 147 ? -17.181 -8.611  -7.093  1.00 23.40 ? 153 HIS   B C   1 
ATOM   1269 O O   . HIS   A 1 147 ? -16.276 -9.404  -6.895  1.00 24.21 ? 153 HIS   B O   1 
ATOM   1270 C CB  . HIS   A 1 147 ? -16.803 -7.841  -4.760  1.00 31.78 ? 153 HIS   B CB  1 
ATOM   1271 C CG  . HIS   A 1 147 ? -16.972 -6.830  -3.674  1.00 39.67 ? 153 HIS   B CG  1 
ATOM   1272 N ND1 . HIS   A 1 147 ? -16.382 -5.586  -3.729  1.00 49.26 ? 153 HIS   B ND1 1 
ATOM   1273 C CD2 . HIS   A 1 147 ? -17.640 -6.890  -2.500  1.00 46.63 ? 153 HIS   B CD2 1 
ATOM   1274 C CE1 . HIS   A 1 147 ? -16.700 -4.906  -2.643  1.00 50.68 ? 153 HIS   B CE1 1 
ATOM   1275 N NE2 . HIS   A 1 147 ? -17.465 -5.690  -1.866  1.00 50.88 ? 153 HIS   B NE2 1 
ATOM   1276 N N   . GLY   A 1 148 ? -18.050 -8.786  -8.075  1.00 17.48 ? 154 GLY   B N   1 
ATOM   1277 C CA  . GLY   A 1 148 ? -17.782 -9.808  -9.098  1.00 15.68 ? 154 GLY   B CA  1 
ATOM   1278 C C   . GLY   A 1 148 ? -18.157 -11.210 -8.662  1.00 14.56 ? 154 GLY   B C   1 
ATOM   1279 O O   . GLY   A 1 148 ? -17.633 -12.169 -9.282  1.00 16.01 ? 154 GLY   B O   1 
ATOM   1280 N N   . SER   A 1 149 ? -19.010 -11.385 -7.678  1.00 14.84 ? 155 SER   B N   1 
ATOM   1281 C CA  . SER   A 1 149 ? -19.402 -12.715 -7.144  1.00 13.03 ? 155 SER   B CA  1 
ATOM   1282 C C   . SER   A 1 149 ? -20.079 -13.561 -8.227  1.00 13.68 ? 155 SER   B C   1 
ATOM   1283 O O   . SER   A 1 149 ? -20.874 -13.029 -9.037  1.00 13.61 ? 155 SER   B O   1 
ATOM   1284 C CB  . SER   A 1 149 ? -20.273 -12.632 -5.912  1.00 15.27 ? 155 SER   B CB  1 
ATOM   1285 O OG  . SER   A 1 149 ? -21.448 -11.842 -6.096  1.00 15.69 ? 155 SER   B OG  1 
ATOM   1286 N N   . LEU   A 1 150 ? -19.872 -14.861 -8.194  1.00 13.40 ? 156 LEU   B N   1 
ATOM   1287 C CA  . LEU   A 1 150 ? -20.500 -15.751 -9.203  1.00 12.42 ? 156 LEU   B CA  1 
ATOM   1288 C C   . LEU   A 1 150 ? -21.998 -15.816 -8.952  1.00 12.23 ? 156 LEU   B C   1 
ATOM   1289 O O   . LEU   A 1 150 ? -22.498 -16.022 -7.815  1.00 12.39 ? 156 LEU   B O   1 
ATOM   1290 C CB  . LEU   A 1 150 ? -19.880 -17.147 -9.078  1.00 12.56 ? 156 LEU   B CB  1 
ATOM   1291 C CG  . LEU   A 1 150 ? -20.433 -18.194 -10.043 1.00 13.35 ? 156 LEU   B CG  1 
ATOM   1292 C CD1 . LEU   A 1 150 ? -20.049 -17.873 -11.477 1.00 13.46 ? 156 LEU   B CD1 1 
ATOM   1293 C CD2 . LEU   A 1 150 ? -19.881 -19.586 -9.630  1.00 14.15 ? 156 LEU   B CD2 1 
ATOM   1294 N N   . ILE   A 1 151 ? -22.743 -15.691 -10.071 1.00 10.46 ? 157 ILE   B N   1 
ATOM   1295 C CA  . ILE   A 1 151 ? -24.196 -15.889 -10.108 1.00 11.46 ? 157 ILE   B CA  1 
ATOM   1296 C C   . ILE   A 1 151 ? -24.538 -17.296 -10.588 1.00 10.43 ? 157 ILE   B C   1 
ATOM   1297 O O   . ILE   A 1 151 ? -25.350 -17.976 -9.972  1.00 11.19 ? 157 ILE   B O   1 
ATOM   1298 C CB  . ILE   A 1 151 ? -24.871 -14.825 -10.998 1.00 11.27 ? 157 ILE   B CB  1 
ATOM   1299 C CG1 . ILE   A 1 151 ? -24.703 -13.441 -10.396 1.00 11.83 ? 157 ILE   B CG1 1 
ATOM   1300 C CG2 . ILE   A 1 151 ? -26.344 -15.180 -11.168 1.00 11.50 ? 157 ILE   B CG2 1 
ATOM   1301 C CD1 . ILE   A 1 151 ? -25.156 -12.313 -11.320 1.00 12.90 ? 157 ILE   B CD1 1 
ATOM   1302 N N   . TYR   A 1 152 ? -23.932 -17.747 -11.683 1.00 10.20 ? 158 TYR   B N   1 
ATOM   1303 C CA  . TYR   A 1 152 ? -24.352 -19.030 -12.294 1.00 9.94  ? 158 TYR   B CA  1 
ATOM   1304 C C   . TYR   A 1 152 ? -23.294 -19.433 -13.326 1.00 9.93  ? 158 TYR   B C   1 
ATOM   1305 O O   . TYR   A 1 152 ? -22.818 -18.565 -14.107 1.00 10.55 ? 158 TYR   B O   1 
ATOM   1306 C CB  . TYR   A 1 152 ? -25.733 -18.945 -12.991 1.00 10.24 ? 158 TYR   B CB  1 
ATOM   1307 C CG  . TYR   A 1 152 ? -26.276 -20.297 -13.349 1.00 10.76 ? 158 TYR   B CG  1 
ATOM   1308 C CD1 . TYR   A 1 152 ? -26.869 -21.116 -12.385 1.00 10.66 ? 158 TYR   B CD1 1 
ATOM   1309 C CD2 . TYR   A 1 152 ? -26.120 -20.828 -14.622 1.00 10.51 ? 158 TYR   B CD2 1 
ATOM   1310 C CE1 . TYR   A 1 152 ? -27.319 -22.385 -12.700 1.00 11.98 ? 158 TYR   B CE1 1 
ATOM   1311 C CE2 . TYR   A 1 152 ? -26.589 -22.086 -14.948 1.00 11.43 ? 158 TYR   B CE2 1 
ATOM   1312 C CZ  . TYR   A 1 152 ? -27.144 -22.888 -13.970 1.00 12.29 ? 158 TYR   B CZ  1 
ATOM   1313 O OH  . TYR   A 1 152 ? -27.560 -24.161 -14.260 1.00 14.59 ? 158 TYR   B OH  1 
ATOM   1314 N N   . THR   A 1 153 ? -23.055 -20.734 -13.448 1.00 10.56 ? 159 THR   B N   1 
ATOM   1315 C CA  . THR   A 1 153 ? -22.187 -21.332 -14.473 1.00 10.35 ? 159 THR   B CA  1 
ATOM   1316 C C   . THR   A 1 153 ? -22.944 -22.446 -15.164 1.00 10.85 ? 159 THR   B C   1 
ATOM   1317 O O   . THR   A 1 153 ? -23.335 -23.440 -14.537 1.00 11.16 ? 159 THR   B O   1 
ATOM   1318 C CB  . THR   A 1 153 ? -20.873 -21.878 -13.891 1.00 10.83 ? 159 THR   B CB  1 
ATOM   1319 O OG1 . THR   A 1 153 ? -20.112 -20.752 -13.507 1.00 11.87 ? 159 THR   B OG1 1 
ATOM   1320 C CG2 . THR   A 1 153 ? -20.099 -22.718 -14.884 1.00 11.77 ? 159 THR   B CG2 1 
ATOM   1321 N N   . PHE   A 1 154 ? -23.169 -22.278 -16.472 1.00 11.09 ? 160 PHE   B N   1 
ATOM   1322 C CA  . PHE   A 1 154 ? -23.545 -23.380 -17.370 1.00 10.44 ? 160 PHE   B CA  1 
ATOM   1323 C C   . PHE   A 1 154 ? -22.240 -24.078 -17.794 1.00 11.69 ? 160 PHE   B C   1 
ATOM   1324 O O   . PHE   A 1 154 ? -21.379 -23.446 -18.421 1.00 11.60 ? 160 PHE   B O   1 
ATOM   1325 C CB  . PHE   A 1 154 ? -24.202 -22.860 -18.652 1.00 11.06 ? 160 PHE   B CB  1 
ATOM   1326 C CG  . PHE   A 1 154 ? -25.579 -22.265 -18.525 1.00 10.08 ? 160 PHE   B CG  1 
ATOM   1327 C CD1 . PHE   A 1 154 ? -25.726 -20.907 -18.288 1.00 9.82  ? 160 PHE   B CD1 1 
ATOM   1328 C CD2 . PHE   A 1 154 ? -26.708 -23.027 -18.714 1.00 10.69 ? 160 PHE   B CD2 1 
ATOM   1329 C CE1 . PHE   A 1 154 ? -26.999 -20.342 -18.172 1.00 10.99 ? 160 PHE   B CE1 1 
ATOM   1330 C CE2 . PHE   A 1 154 ? -27.977 -22.457 -18.621 1.00 10.91 ? 160 PHE   B CE2 1 
ATOM   1331 C CZ  . PHE   A 1 154 ? -28.095 -21.109 -18.394 1.00 10.89 ? 160 PHE   B CZ  1 
ATOM   1332 N N   . SER   A 1 155 ? -22.133 -25.355 -17.477 1.00 12.35 ? 161 SER   B N   1 
ATOM   1333 C CA  . SER   A 1 155 ? -21.013 -26.168 -17.983 1.00 13.19 ? 161 SER   B CA  1 
ATOM   1334 C C   . SER   A 1 155 ? -21.515 -27.324 -18.854 1.00 12.98 ? 161 SER   B C   1 
ATOM   1335 O O   . SER   A 1 155 ? -22.712 -27.582 -18.968 1.00 14.87 ? 161 SER   B O   1 
ATOM   1336 C CB  . SER   A 1 155 ? -20.165 -26.604 -16.825 1.00 15.33 ? 161 SER   B CB  1 
ATOM   1337 O OG  . SER   A 1 155 ? -20.823 -27.563 -16.061 1.00 18.61 ? 161 SER   B OG  1 
ATOM   1338 N N   . GLU   A 1 156 ? -20.561 -27.975 -19.523 1.00 15.47 ? 162 GLU   B N   1 
ATOM   1339 C CA  . GLU   A 1 156 ? -20.893 -29.036 -20.512 1.00 16.34 ? 162 GLU   B CA  1 
ATOM   1340 C C   . GLU   A 1 156 ? -21.819 -28.474 -21.596 1.00 15.49 ? 162 GLU   B C   1 
ATOM   1341 O O   . GLU   A 1 156 ? -22.723 -29.207 -22.089 1.00 16.97 ? 162 GLU   B O   1 
ATOM   1342 C CB  . GLU   A 1 156 ? -21.573 -30.211 -19.825 1.00 20.87 ? 162 GLU   B CB  1 
ATOM   1343 C CG  . GLU   A 1 156 ? -20.809 -30.749 -18.640 1.00 25.40 ? 162 GLU   B CG  1 
ATOM   1344 C CD  . GLU   A 1 156 ? -21.401 -32.092 -18.276 1.00 36.91 ? 162 GLU   B CD  1 
ATOM   1345 O OE1 . GLU   A 1 156 ? -22.272 -32.133 -17.378 1.00 41.36 ? 162 GLU   B OE1 1 
ATOM   1346 O OE2 . GLU   A 1 156 ? -21.081 -33.067 -18.987 1.00 40.02 ? 162 GLU   B OE2 1 
ATOM   1347 N N   . CYS   A 1 157 ? -21.604 -27.217 -21.982 1.00 13.63 ? 163 CYS   B N   1 
ATOM   1348 C CA  . CYS   A 1 157 ? -22.482 -26.595 -23.000 1.00 13.14 ? 163 CYS   B CA  1 
ATOM   1349 C C   . CYS   A 1 157 ? -22.204 -27.245 -24.366 1.00 14.12 ? 163 CYS   B C   1 
ATOM   1350 O O   . CYS   A 1 157 ? -21.018 -27.463 -24.728 1.00 16.20 ? 163 CYS   B O   1 
ATOM   1351 C CB  . CYS   A 1 157 ? -22.270 -25.098 -23.107 1.00 13.43 ? 163 CYS   B CB  1 
ATOM   1352 S SG  . CYS   A 1 157 ? -22.702 -24.177 -21.604 1.00 13.76 ? 163 CYS   B SG  1 
ATOM   1353 N N   . VAL   A 1 158 ? -23.255 -27.467 -25.115 1.00 13.55 ? 164 VAL   B N   1 
ATOM   1354 C CA  . VAL   A 1 158 ? -23.120 -27.973 -26.496 1.00 14.94 ? 164 VAL   B CA  1 
ATOM   1355 C C   . VAL   A 1 158 ? -23.529 -26.832 -27.431 1.00 13.95 ? 164 VAL   B C   1 
ATOM   1356 O O   . VAL   A 1 158 ? -24.707 -26.701 -27.836 1.00 15.07 ? 164 VAL   B O   1 
ATOM   1357 C CB  . VAL   A 1 158 ? -23.872 -29.300 -26.650 1.00 17.32 ? 164 VAL   B CB  1 
ATOM   1358 C CG1 . VAL   A 1 158 ? -23.755 -29.788 -28.099 1.00 19.06 ? 164 VAL   B CG1 1 
ATOM   1359 C CG2 . VAL   A 1 158 ? -23.315 -30.339 -25.692 1.00 19.18 ? 164 VAL   B CG2 1 
ATOM   1360 N N   . PHE   A 1 159 ? -22.597 -25.943 -27.763 1.00 12.99 ? 165 PHE   B N   1 
ATOM   1361 C CA  . PHE   A 1 159 ? -22.927 -24.691 -28.484 1.00 13.49 ? 165 PHE   B CA  1 
ATOM   1362 C C   . PHE   A 1 159 ? -23.482 -25.038 -29.865 1.00 16.06 ? 165 PHE   B C   1 
ATOM   1363 O O   . PHE   A 1 159 ? -24.453 -24.418 -30.358 1.00 14.54 ? 165 PHE   B O   1 
ATOM   1364 C CB  . PHE   A 1 159 ? -21.744 -23.744 -28.480 1.00 13.10 ? 165 PHE   B CB  1 
ATOM   1365 C CG  . PHE   A 1 159 ? -21.346 -23.213 -27.115 1.00 11.85 ? 165 PHE   B CG  1 
ATOM   1366 C CD1 . PHE   A 1 159 ? -22.307 -22.728 -26.234 1.00 12.89 ? 165 PHE   B CD1 1 
ATOM   1367 C CD2 . PHE   A 1 159 ? -20.028 -23.247 -26.697 1.00 13.81 ? 165 PHE   B CD2 1 
ATOM   1368 C CE1 . PHE   A 1 159 ? -21.927 -22.248 -24.987 1.00 12.99 ? 165 PHE   B CE1 1 
ATOM   1369 C CE2 . PHE   A 1 159 ? -19.651 -22.746 -25.468 1.00 13.72 ? 165 PHE   B CE2 1 
ATOM   1370 C CZ  . PHE   A 1 159 ? -20.611 -22.278 -24.598 1.00 13.12 ? 165 PHE   B CZ  1 
ATOM   1371 N N   . ALA   A 1 160 ? -22.790 -25.936 -30.560 1.00 13.91 ? 166 ALA   B N   1 
ATOM   1372 C CA  . ALA   A 1 160 ? -23.285 -26.514 -31.827 1.00 14.08 ? 166 ALA   B CA  1 
ATOM   1373 C C   . ALA   A 1 160 ? -23.346 -25.453 -32.944 1.00 13.51 ? 166 ALA   B C   1 
ATOM   1374 O O   . ALA   A 1 160 ? -24.148 -25.626 -33.907 1.00 15.02 ? 166 ALA   B O   1 
ATOM   1375 C CB  . ALA   A 1 160 ? -24.548 -27.277 -31.628 1.00 15.31 ? 166 ALA   B CB  1 
ATOM   1376 N N   . GLY   A 1 161 ? -22.551 -24.396 -32.890 1.00 14.09 ? 167 GLY   B N   1 
ATOM   1377 C CA  . GLY   A 1 161 ? -22.542 -23.306 -33.881 1.00 14.54 ? 167 GLY   B CA  1 
ATOM   1378 C C   . GLY   A 1 161 ? -21.942 -22.035 -33.321 1.00 14.25 ? 167 GLY   B C   1 
ATOM   1379 O O   . GLY   A 1 161 ? -21.528 -21.991 -32.143 1.00 14.63 ? 167 GLY   B O   1 
ATOM   1380 N N   . PRO   A 1 162 ? -21.814 -21.000 -34.153 1.00 13.32 ? 168 PRO   B N   1 
ATOM   1381 C CA  . PRO   A 1 162 ? -21.369 -19.695 -33.712 1.00 12.28 ? 168 PRO   B CA  1 
ATOM   1382 C C   . PRO   A 1 162 ? -22.355 -19.153 -32.669 1.00 13.18 ? 168 PRO   B C   1 
ATOM   1383 O O   . PRO   A 1 162 ? -23.543 -19.444 -32.724 1.00 14.44 ? 168 PRO   B O   1 
ATOM   1384 C CB  . PRO   A 1 162 ? -21.376 -18.815 -34.966 1.00 12.85 ? 168 PRO   B CB  1 
ATOM   1385 C CG  . PRO   A 1 162 ? -21.470 -19.808 -36.140 1.00 12.49 ? 168 PRO   B CG  1 
ATOM   1386 C CD  . PRO   A 1 162 ? -22.182 -21.008 -35.578 1.00 12.98 ? 168 PRO   B CD  1 
ATOM   1387 N N   . LEU   A 1 163 ? -21.796 -18.392 -31.751 1.00 11.60 ? 169 LEU   B N   1 
ATOM   1388 C CA  . LEU   A 1 163 ? -22.578 -17.788 -30.637 1.00 11.53 ? 169 LEU   B CA  1 
ATOM   1389 C C   . LEU   A 1 163 ? -22.661 -16.291 -30.876 1.00 12.45 ? 169 LEU   B C   1 
ATOM   1390 O O   . LEU   A 1 163 ? -21.718 -15.649 -31.377 1.00 12.71 ? 169 LEU   B O   1 
ATOM   1391 C CB  . LEU   A 1 163 ? -21.890 -18.037 -29.296 1.00 12.34 ? 169 LEU   B CB  1 
ATOM   1392 C CG  . LEU   A 1 163 ? -21.888 -19.463 -28.759 1.00 13.07 ? 169 LEU   B CG  1 
ATOM   1393 C CD1 . LEU   A 1 163 ? -21.058 -19.538 -27.486 1.00 14.25 ? 169 LEU   B CD1 1 
ATOM   1394 C CD2 . LEU   A 1 163 ? -23.296 -19.983 -28.507 1.00 14.56 ? 169 LEU   B CD2 1 
ATOM   1395 N N   . ARG   A 1 164 ? -23.788 -15.718 -30.437 1.00 11.85 ? 170 ARG   B N   1 
ATOM   1396 C CA  . ARG   A 1 164 ? -24.041 -14.273 -30.437 1.00 11.44 ? 170 ARG   B CA  1 
ATOM   1397 C C   . ARG   A 1 164 ? -24.493 -13.783 -29.065 1.00 10.02 ? 170 ARG   B C   1 
ATOM   1398 O O   . ARG   A 1 164 ? -25.275 -14.483 -28.398 1.00 11.00 ? 170 ARG   B O   1 
ATOM   1399 C CB  . ARG   A 1 164 ? -25.085 -13.878 -31.485 1.00 12.69 ? 170 ARG   B CB  1 
ATOM   1400 C CG  . ARG   A 1 164 ? -24.560 -14.261 -32.871 1.00 15.16 ? 170 ARG   B CG  1 
ATOM   1401 C CD  . ARG   A 1 164 ? -25.438 -13.907 -34.018 1.00 16.49 ? 170 ARG   B CD  1 
ATOM   1402 N NE  . ARG   A 1 164 ? -25.540 -12.471 -34.132 1.00 16.11 ? 170 ARG   B NE  1 
ATOM   1403 C CZ  . ARG   A 1 164 ? -26.244 -11.860 -35.075 1.00 16.02 ? 170 ARG   B CZ  1 
ATOM   1404 N NH1 . ARG   A 1 164 ? -26.836 -12.572 -36.014 1.00 16.17 ? 170 ARG   B NH1 1 
ATOM   1405 N NH2 . ARG   A 1 164 ? -26.270 -10.548 -35.100 1.00 15.12 ? 170 ARG   B NH2 1 
ATOM   1406 N N   . PRO   A 1 165 ? -24.024 -12.606 -28.615 1.00 9.88  ? 171 PRO   B N   1 
ATOM   1407 C CA  . PRO   A 1 165 ? -24.600 -11.983 -27.417 1.00 10.16 ? 171 PRO   B CA  1 
ATOM   1408 C C   . PRO   A 1 165 ? -26.116 -11.827 -27.600 1.00 9.13  ? 171 PRO   B C   1 
ATOM   1409 O O   . PRO   A 1 165 ? -26.607 -11.527 -28.693 1.00 9.86  ? 171 PRO   B O   1 
ATOM   1410 C CB  . PRO   A 1 165 ? -23.873 -10.626 -27.304 1.00 10.88 ? 171 PRO   B CB  1 
ATOM   1411 C CG  . PRO   A 1 165 ? -22.578 -10.873 -28.060 1.00 11.52 ? 171 PRO   B CG  1 
ATOM   1412 C CD  . PRO   A 1 165 ? -22.987 -11.757 -29.203 1.00 11.72 ? 171 PRO   B CD  1 
ATOM   1413 N N   . PHE   A 1 166 ? -26.856 -12.118 -26.529 1.00 9.12  ? 172 PHE   B N   1 
ATOM   1414 C CA  . PHE   A 1 166 ? -28.334 -12.148 -26.514 1.00 10.22 ? 172 PHE   B CA  1 
ATOM   1415 C C   . PHE   A 1 166 ? -28.889 -11.212 -25.430 1.00 9.15  ? 172 PHE   B C   1 
ATOM   1416 O O   . PHE   A 1 166 ? -28.374 -11.169 -24.275 1.00 9.03  ? 172 PHE   B O   1 
ATOM   1417 C CB  . PHE   A 1 166 ? -28.814 -13.579 -26.247 1.00 10.64 ? 172 PHE   B CB  1 
ATOM   1418 C CG  . PHE   A 1 166 ? -30.309 -13.655 -26.088 1.00 10.27 ? 172 PHE   B CG  1 
ATOM   1419 C CD1 . PHE   A 1 166 ? -31.138 -13.653 -27.203 1.00 11.43 ? 172 PHE   B CD1 1 
ATOM   1420 C CD2 . PHE   A 1 166 ? -30.897 -13.687 -24.835 1.00 10.79 ? 172 PHE   B CD2 1 
ATOM   1421 C CE1 . PHE   A 1 166 ? -32.521 -13.679 -27.045 1.00 11.59 ? 172 PHE   B CE1 1 
ATOM   1422 C CE2 . PHE   A 1 166 ? -32.270 -13.689 -24.675 1.00 9.80  ? 172 PHE   B CE2 1 
ATOM   1423 C CZ  . PHE   A 1 166 ? -33.080 -13.736 -25.787 1.00 10.68 ? 172 PHE   B CZ  1 
ATOM   1424 N N   . PHE   A 1 167 ? -29.934 -10.468 -25.796 1.00 8.37  ? 173 PHE   B N   1 
ATOM   1425 C CA  . PHE   A 1 167 ? -30.550 -9.446  -24.909 1.00 9.06  ? 173 PHE   B CA  1 
ATOM   1426 C C   . PHE   A 1 167 ? -32.067 -9.483  -25.045 1.00 9.59  ? 173 PHE   B C   1 
ATOM   1427 O O   . PHE   A 1 167 ? -32.609 -9.543  -26.183 1.00 9.32  ? 173 PHE   B O   1 
ATOM   1428 C CB  . PHE   A 1 167 ? -30.091 -8.041  -25.300 1.00 8.89  ? 173 PHE   B CB  1 
ATOM   1429 C CG  . PHE   A 1 167 ? -28.593 -7.886  -25.381 1.00 9.28  ? 173 PHE   B CG  1 
ATOM   1430 C CD1 . PHE   A 1 167 ? -27.911 -8.193  -26.540 1.00 9.59  ? 173 PHE   B CD1 1 
ATOM   1431 C CD2 . PHE   A 1 167 ? -27.862 -7.442  -24.286 1.00 10.89 ? 173 PHE   B CD2 1 
ATOM   1432 C CE1 . PHE   A 1 167 ? -26.523 -8.127  -26.612 1.00 9.97  ? 173 PHE   B CE1 1 
ATOM   1433 C CE2 . PHE   A 1 167 ? -26.498 -7.253  -24.405 1.00 10.44 ? 173 PHE   B CE2 1 
ATOM   1434 C CZ  . PHE   A 1 167 ? -25.833 -7.640  -25.536 1.00 10.71 ? 173 PHE   B CZ  1 
ATOM   1435 N N   . ASN   A 1 168 ? -32.762 -9.366  -23.920 1.00 9.24  ? 174 ASN   B N   1 
ATOM   1436 C CA  . ASN   A 1 168 ? -34.214 -9.111  -23.879 1.00 9.02  ? 174 ASN   B CA  1 
ATOM   1437 C C   . ASN   A 1 168 ? -34.445 -7.971  -22.886 1.00 9.10  ? 174 ASN   B C   1 
ATOM   1438 O O   . ASN   A 1 168 ? -34.159 -8.169  -21.695 1.00 10.92 ? 174 ASN   B O   1 
ATOM   1439 C CB  . ASN   A 1 168 ? -34.998 -10.361 -23.467 1.00 8.92  ? 174 ASN   B CB  1 
ATOM   1440 C CG  . ASN   A 1 168 ? -36.492 -10.185 -23.581 1.00 11.05 ? 174 ASN   B CG  1 
ATOM   1441 O OD1 . ASN   A 1 168 ? -36.994 -9.113  -23.869 1.00 11.58 ? 174 ASN   B OD1 1 
ATOM   1442 N ND2 . ASN   A 1 168 ? -37.234 -11.260 -23.363 1.00 12.82 ? 174 ASN   B ND2 1 
ATOM   1443 N N   . VAL   A 1 169 ? -34.994 -6.846  -23.352 1.00 9.13  ? 175 VAL   B N   1 
ATOM   1444 C CA  . VAL   A 1 169 ? -35.245 -5.674  -22.459 1.00 9.11  ? 175 VAL   B CA  1 
ATOM   1445 C C   . VAL   A 1 169 ? -36.504 -5.920  -21.632 1.00 9.46  ? 175 VAL   B C   1 
ATOM   1446 O O   . VAL   A 1 169 ? -36.793 -5.078  -20.751 1.00 10.24 ? 175 VAL   B O   1 
ATOM   1447 C CB  . VAL   A 1 169 ? -35.322 -4.347  -23.239 1.00 10.09 ? 175 VAL   B CB  1 
ATOM   1448 C CG1 . VAL   A 1 169 ? -34.032 -4.031  -23.909 1.00 11.26 ? 175 VAL   B CG1 1 
ATOM   1449 C CG2 . VAL   A 1 169 ? -36.499 -4.311  -24.235 1.00 10.20 ? 175 VAL   B CG2 1 
ATOM   1450 N N   . GLY   A 1 170 ? -37.307 -6.916  -21.987 1.00 8.85  ? 176 GLY   B N   1 
ATOM   1451 C CA  . GLY   A 1 170 ? -38.598 -7.164  -21.296 1.00 9.81  ? 176 GLY   B CA  1 
ATOM   1452 C C   . GLY   A 1 170 ? -39.729 -6.245  -21.749 1.00 9.64  ? 176 GLY   B C   1 
ATOM   1453 O O   . GLY   A 1 170 ? -39.486 -5.187  -22.341 1.00 9.23  ? 176 GLY   B O   1 
ATOM   1454 N N   . PHE   A 1 171 ? -40.966 -6.671  -21.469 1.00 9.79  ? 177 PHE   B N   1 
ATOM   1455 C CA  . PHE   A 1 171 ? -42.153 -5.809  -21.679 1.00 9.28  ? 177 PHE   B CA  1 
ATOM   1456 C C   . PHE   A 1 171 ? -42.179 -4.721  -20.615 1.00 8.73  ? 177 PHE   B C   1 
ATOM   1457 O O   . PHE   A 1 171 ? -41.465 -4.797  -19.596 1.00 9.19  ? 177 PHE   B O   1 
ATOM   1458 C CB  . PHE   A 1 171 ? -43.431 -6.652  -21.698 1.00 9.55  ? 177 PHE   B CB  1 
ATOM   1459 C CG  . PHE   A 1 171 ? -43.583 -7.502  -22.937 1.00 10.64 ? 177 PHE   B CG  1 
ATOM   1460 C CD1 . PHE   A 1 171 ? -44.154 -6.958  -24.074 1.00 11.21 ? 177 PHE   B CD1 1 
ATOM   1461 C CD2 . PHE   A 1 171 ? -43.188 -8.830  -22.980 1.00 11.18 ? 177 PHE   B CD2 1 
ATOM   1462 C CE1 . PHE   A 1 171 ? -44.318 -7.725  -25.230 1.00 12.63 ? 177 PHE   B CE1 1 
ATOM   1463 C CE2 . PHE   A 1 171 ? -43.346 -9.575  -24.146 1.00 11.33 ? 177 PHE   B CE2 1 
ATOM   1464 C CZ  . PHE   A 1 171 ? -43.936 -9.028  -25.255 1.00 12.00 ? 177 PHE   B CZ  1 
ATOM   1465 N N   . ASN   A 1 172 ? -43.028 -3.744  -20.852 1.00 9.31  ? 178 ASN   B N   1 
ATOM   1466 C CA  . ASN   A 1 172 ? -43.215 -2.620  -19.914 1.00 9.89  ? 178 ASN   B CA  1 
ATOM   1467 C C   . ASN   A 1 172 ? -44.719 -2.456  -19.667 1.00 10.11 ? 178 ASN   B C   1 
ATOM   1468 O O   . ASN   A 1 172 ? -45.225 -1.318  -19.647 1.00 11.44 ? 178 ASN   B O   1 
ATOM   1469 C CB  . ASN   A 1 172 ? -42.540 -1.363  -20.448 1.00 10.02 ? 178 ASN   B CB  1 
ATOM   1470 C CG  . ASN   A 1 172 ? -42.612 -0.241  -19.453 1.00 10.60 ? 178 ASN   B CG  1 
ATOM   1471 O OD1 . ASN   A 1 172 ? -42.541 -0.472  -18.234 1.00 11.19 ? 178 ASN   B OD1 1 
ATOM   1472 N ND2 . ASN   A 1 172 ? -42.689 0.979   -19.994 1.00 11.49 ? 178 ASN   B ND2 1 
ATOM   1473 N N   . TYR   A 1 173 ? -45.409 -3.550  -19.362 1.00 9.80  ? 179 TYR   B N   1 
ATOM   1474 C CA  . TYR   A 1 173 ? -46.851 -3.497  -18.966 1.00 9.33  ? 179 TYR   B CA  1 
ATOM   1475 C C   . TYR   A 1 173 ? -47.042 -2.662  -17.709 1.00 10.18 ? 179 TYR   B C   1 
ATOM   1476 O O   . TYR   A 1 173 ? -48.088 -2.003  -17.545 1.00 11.25 ? 179 TYR   B O   1 
ATOM   1477 C CB  . TYR   A 1 173 ? -47.442 -4.889  -18.766 1.00 9.72  ? 179 TYR   B CB  1 
ATOM   1478 C CG  . TYR   A 1 173 ? -47.470 -5.777  -19.986 1.00 10.83 ? 179 TYR   B CG  1 
ATOM   1479 C CD1 . TYR   A 1 173 ? -48.362 -5.509  -21.009 1.00 13.05 ? 179 TYR   B CD1 1 
ATOM   1480 C CD2 . TYR   A 1 173 ? -46.634 -6.874  -20.113 1.00 11.77 ? 179 TYR   B CD2 1 
ATOM   1481 C CE1 . TYR   A 1 173 ? -48.427 -6.298  -22.130 1.00 13.20 ? 179 TYR   B CE1 1 
ATOM   1482 C CE2 . TYR   A 1 173 ? -46.683 -7.669  -21.275 1.00 11.95 ? 179 TYR   B CE2 1 
ATOM   1483 C CZ  . TYR   A 1 173 ? -47.576 -7.365  -22.270 1.00 12.80 ? 179 TYR   B CZ  1 
ATOM   1484 O OH  . TYR   A 1 173 ? -47.695 -8.185  -23.388 1.00 16.43 ? 179 TYR   B OH  1 
ATOM   1485 N N   . SER   A 1 174 ? -46.085 -2.704  -16.797 1.00 9.52  ? 180 SER   B N   1 
ATOM   1486 C CA  . SER   A 1 174 ? -46.206 -2.072  -15.448 1.00 9.88  ? 180 SER   B CA  1 
ATOM   1487 C C   . SER   A 1 174 ? -45.872 -0.576  -15.491 1.00 9.89  ? 180 SER   B C   1 
ATOM   1488 O O   . SER   A 1 174 ? -46.162 0.110   -14.488 1.00 10.47 ? 180 SER   B O   1 
ATOM   1489 C CB  . SER   A 1 174 ? -45.229 -2.694  -14.462 1.00 10.37 ? 180 SER   B CB  1 
ATOM   1490 O OG  . SER   A 1 174 ? -43.906 -2.425  -14.936 1.00 10.90 ? 180 SER   B OG  1 
ATOM   1491 N N   . GLY   A 1 175 ? -45.230 -0.066  -16.535 1.00 9.58  ? 181 GLY   B N   1 
ATOM   1492 C CA  . GLY   A 1 175 ? -44.667 1.294   -16.543 1.00 9.55  ? 181 GLY   B CA  1 
ATOM   1493 C C   . GLY   A 1 175 ? -43.467 1.451   -15.659 1.00 9.63  ? 181 GLY   B C   1 
ATOM   1494 O O   . GLY   A 1 175 ? -43.011 2.569   -15.511 1.00 11.78 ? 181 GLY   B O   1 
ATOM   1495 N N   . GLY   A 1 176 ? -42.952 0.342   -15.114 1.00 9.91  ? 182 GLY   B N   1 
ATOM   1496 C CA  . GLY   A 1 176 ? -41.755 0.376   -14.246 1.00 9.67  ? 182 GLY   B CA  1 
ATOM   1497 C C   . GLY   A 1 176 ? -40.534 -0.236  -14.920 1.00 10.38 ? 182 GLY   B C   1 
ATOM   1498 O O   . GLY   A 1 176 ? -39.510 -0.350  -14.200 1.00 11.50 ? 182 GLY   B O   1 
ATOM   1499 N N   . ASN   A 1 177 ? -40.629 -0.635  -16.177 1.00 9.49  ? 183 ASN   B N   1 
ATOM   1500 C CA  . ASN   A 1 177 ? -39.524 -1.348  -16.838 1.00 8.92  ? 183 ASN   B CA  1 
ATOM   1501 C C   . ASN   A 1 177 ? -39.049 -0.654  -18.109 1.00 9.09  ? 183 ASN   B C   1 
ATOM   1502 O O   . ASN   A 1 177 ? -38.448 -1.346  -18.961 1.00 10.40 ? 183 ASN   B O   1 
ATOM   1503 C CB  . ASN   A 1 177 ? -39.912 -2.775  -17.177 1.00 9.54  ? 183 ASN   B CB  1 
ATOM   1504 C CG  . ASN   A 1 177 ? -38.706 -3.658  -17.434 1.00 8.91  ? 183 ASN   B CG  1 
ATOM   1505 O OD1 . ASN   A 1 177 ? -37.677 -3.517  -16.762 1.00 9.92  ? 183 ASN   B OD1 1 
ATOM   1506 N ND2 . ASN   A 1 177 ? -38.861 -4.613  -18.335 1.00 8.99  ? 183 ASN   B ND2 1 
ATOM   1507 N N   . ALA   A 1 178 ? -39.141 0.653   -18.205 1.00 10.65 ? 184 ALA   B N   1 
ATOM   1508 C CA  . ALA   A 1 178 ? -38.722 1.375   -19.418 1.00 11.15 ? 184 ALA   B CA  1 
ATOM   1509 C C   . ALA   A 1 178 ? -37.212 1.521   -19.527 1.00 10.93 ? 184 ALA   B C   1 
ATOM   1510 O O   . ALA   A 1 178 ? -36.752 1.807   -20.648 1.00 11.77 ? 184 ALA   B O   1 
ATOM   1511 C CB  . ALA   A 1 178 ? -39.385 2.745   -19.467 1.00 12.53 ? 184 ALA   B CB  1 
ATOM   1512 N N   . ALA   A 1 179 ? -36.453 1.356   -18.435 1.00 11.01 ? 185 ALA   B N   1 
ATOM   1513 C CA  . ALA   A 1 179 ? -35.001 1.646   -18.478 1.00 11.42 ? 185 ALA   B CA  1 
ATOM   1514 C C   . ALA   A 1 179 ? -34.292 0.738   -19.492 1.00 10.73 ? 185 ALA   B C   1 
ATOM   1515 O O   . ALA   A 1 179 ? -34.715 -0.393  -19.747 1.00 10.54 ? 185 ALA   B O   1 
ATOM   1516 C CB  . ALA   A 1 179 ? -34.391 1.482   -17.132 1.00 10.41 ? 185 ALA   B CB  1 
ATOM   1517 N N   . PRO   A 1 180 ? -33.206 1.236   -20.114 1.00 10.67 ? 186 PRO   B N   1 
ATOM   1518 C CA  . PRO   A 1 180 ? -32.483 0.461   -21.122 1.00 10.53 ? 186 PRO   B CA  1 
ATOM   1519 C C   . PRO   A 1 180 ? -31.601 -0.648  -20.531 1.00 10.40 ? 186 PRO   B C   1 
ATOM   1520 O O   . PRO   A 1 180 ? -31.218 -0.592  -19.359 1.00 12.21 ? 186 PRO   B O   1 
ATOM   1521 C CB  . PRO   A 1 180 ? -31.604 1.524   -21.789 1.00 11.57 ? 186 PRO   B CB  1 
ATOM   1522 C CG  . PRO   A 1 180 ? -31.281 2.487   -20.676 1.00 12.86 ? 186 PRO   B CG  1 
ATOM   1523 C CD  . PRO   A 1 180 ? -32.609 2.570   -19.916 1.00 12.26 ? 186 PRO   B CD  1 
ATOM   1524 N N   . LEU   A 1 181 ? -31.182 -1.578  -21.401 1.00 10.32 ? 187 LEU   B N   1 
ATOM   1525 C CA  . LEU   A 1 181 ? -29.945 -2.366  -21.235 1.00 10.27 ? 187 LEU   B CA  1 
ATOM   1526 C C   . LEU   A 1 181 ? -28.815 -1.564  -21.878 1.00 10.47 ? 187 LEU   B C   1 
ATOM   1527 O O   . LEU   A 1 181 ? -28.990 -1.067  -23.006 1.00 12.41 ? 187 LEU   B O   1 
ATOM   1528 C CB  . LEU   A 1 181 ? -30.129 -3.726  -21.881 1.00 10.10 ? 187 LEU   B CB  1 
ATOM   1529 C CG  . LEU   A 1 181 ? -31.160 -4.650  -21.235 1.00 10.74 ? 187 LEU   B CG  1 
ATOM   1530 C CD1 . LEU   A 1 181 ? -31.297 -5.921  -22.070 1.00 11.57 ? 187 LEU   B CD1 1 
ATOM   1531 C CD2 . LEU   A 1 181 ? -30.767 -5.025  -19.823 1.00 11.96 ? 187 LEU   B CD2 1 
ATOM   1532 N N   . LYS   A 1 182 ? -27.688 -1.434  -21.172 1.00 10.94 ? 188 LYS   B N   1 
ATOM   1533 C CA  . LYS   A 1 182 ? -26.533 -0.684  -21.735 1.00 11.79 ? 188 LYS   B CA  1 
ATOM   1534 C C   . LYS   A 1 182 ? -25.282 -1.539  -21.690 1.00 12.36 ? 188 LYS   B C   1 
ATOM   1535 O O   . LYS   A 1 182 ? -24.940 -2.074  -20.607 1.00 12.92 ? 188 LYS   B O   1 
ATOM   1536 C CB  . LYS   A 1 182 ? -26.275 0.605   -20.938 1.00 13.62 ? 188 LYS   B CB  1 
ATOM   1537 C CG  . LYS   A 1 182 ? -27.457 1.521   -20.711 1.00 17.52 ? 188 LYS   B CG  1 
ATOM   1538 C CD  . LYS   A 1 182 ? -27.005 2.904   -20.182 1.00 21.82 ? 188 LYS   B CD  1 
ATOM   1539 C CE  . LYS   A 1 182 ? -28.132 3.821   -19.766 1.00 26.92 ? 188 LYS   B CE  1 
ATOM   1540 N NZ  . LYS   A 1 182 ? -27.665 4.823   -18.770 1.00 33.13 ? 188 LYS   B NZ  1 
ATOM   1541 N N   . LEU   A 1 183 ? -24.537 -1.629  -22.765 1.00 12.46 ? 189 LEU   B N   1 
ATOM   1542 C CA  . LEU   A 1 183 ? -23.195 -2.272  -22.746 1.00 13.67 ? 189 LEU   B CA  1 
ATOM   1543 C C   . LEU   A 1 183 ? -22.214 -1.301  -22.084 1.00 15.24 ? 189 LEU   B C   1 
ATOM   1544 O O   . LEU   A 1 183 ? -22.113 -0.165  -22.595 1.00 17.74 ? 189 LEU   B O   1 
ATOM   1545 C CB  . LEU   A 1 183 ? -22.817 -2.684  -24.160 1.00 14.29 ? 189 LEU   B CB  1 
ATOM   1546 C CG  . LEU   A 1 183 ? -23.592 -3.912  -24.628 1.00 15.03 ? 189 LEU   B CG  1 
ATOM   1547 C CD1 . LEU   A 1 183 ? -23.864 -3.948  -26.108 1.00 19.83 ? 189 LEU   B CD1 1 
ATOM   1548 C CD2 . LEU   A 1 183 ? -22.918 -5.192  -24.114 1.00 13.73 ? 189 LEU   B CD2 1 
ATOM   1549 N N   . CYS   A 1 184 ? -21.589 -1.720  -20.976 1.00 17.04 ? 190 CYS   B N   1 
ATOM   1550 C CA  . CYS   A 1 184 ? -20.691 -0.848  -20.157 1.00 18.78 ? 190 CYS   B CA  1 
ATOM   1551 C C   . CYS   A 1 184 ? -19.324 -0.766  -20.801 1.00 22.33 ? 190 CYS   B C   1 
ATOM   1552 O O   . CYS   A 1 184 ? -18.827 -1.730  -21.360 1.00 23.54 ? 190 CYS   B O   1 
ATOM   1553 C CB  . CYS   A 1 184 ? -20.392 -1.414  -18.785 1.00 22.01 ? 190 CYS   B CB  1 
ATOM   1554 S SG  . CYS   A 1 184 ? -21.814 -2.083  -17.934 1.00 22.13 ? 190 CYS   B SG  1 
ATOM   1555 N N   . PRO   A 1 185 ? -18.647 0.392   -20.669 1.00 27.66 ? 191 PRO   B N   1 
ATOM   1556 C CA  . PRO   A 1 185 ? -17.305 0.555   -21.201 1.00 33.76 ? 191 PRO   B CA  1 
ATOM   1557 C C   . PRO   A 1 185 ? -16.344 -0.388  -20.468 1.00 33.47 ? 191 PRO   B C   1 
ATOM   1558 O O   . PRO   A 1 185 ? -16.586 -0.687  -19.293 1.00 33.73 ? 191 PRO   B O   1 
ATOM   1559 C CB  . PRO   A 1 185 ? -17.009 2.048   -20.948 1.00 32.84 ? 191 PRO   B CB  1 
ATOM   1560 C CG  . PRO   A 1 185 ? -17.914 2.428   -19.789 1.00 33.85 ? 191 PRO   B CG  1 
ATOM   1561 C CD  . PRO   A 1 185 ? -19.160 1.607   -20.016 1.00 29.63 ? 191 PRO   B CD  1 
ATOM   1562 N N   . LEU   A 1 186 ? -15.376 -0.884  -21.241 1.00 39.68 ? 192 LEU   B N   1 
ATOM   1563 C CA  . LEU   A 1 186 ? -14.049 -1.435  -20.842 1.00 40.71 ? 192 LEU   B CA  1 
ATOM   1564 C C   . LEU   A 1 186 ? -13.276 -0.404  -20.016 1.00 44.91 ? 192 LEU   B C   1 
ATOM   1565 O O   . LEU   A 1 186 ? -12.403 -0.821  -19.241 1.00 58.12 ? 192 LEU   B O   1 
ATOM   1566 C CB  . LEU   A 1 186 ? -13.276 -1.768  -22.123 1.00 38.92 ? 192 LEU   B CB  1 
HETATM 1567 C C10 . A1BFM B 2 .   ? -49.294 -5.543  -28.185 0.56 10.68 ? 201 A1BFM B C10 1 
HETATM 1568 C C13 . A1BFM B 2 .   ? -48.046 -5.320  -26.048 0.56 10.91 ? 201 A1BFM B C13 1 
HETATM 1569 C C01 . A1BFM B 2 .   ? -42.537 -7.438  -28.620 0.56 7.98  ? 201 A1BFM B C01 1 
HETATM 1570 C C02 . A1BFM B 2 .   ? -43.555 -6.757  -29.542 0.56 7.99  ? 201 A1BFM B C02 1 
HETATM 1571 C C04 . A1BFM B 2 .   ? -44.942 -6.887  -28.922 0.56 8.40  ? 201 A1BFM B C04 1 
HETATM 1572 C C05 . A1BFM B 2 .   ? -45.619 -8.047  -28.598 0.56 9.18  ? 201 A1BFM B C05 1 
HETATM 1573 C C08 . A1BFM B 2 .   ? -45.712 -5.821  -28.580 0.56 9.18  ? 201 A1BFM B C08 1 
HETATM 1574 C C09 . A1BFM B 2 .   ? -47.858 -5.328  -27.624 0.56 11.07 ? 201 A1BFM B C09 1 
HETATM 1575 C C11 . A1BFM B 2 .   ? -50.138 -5.034  -27.209 0.56 10.87 ? 201 A1BFM B C11 1 
HETATM 1576 C C12 . A1BFM B 2 .   ? -49.230 -4.585  -25.910 0.56 10.84 ? 201 A1BFM B C12 1 
HETATM 1577 N N06 . A1BFM B 2 .   ? -46.790 -7.683  -28.071 0.56 9.56  ? 201 A1BFM B N06 1 
HETATM 1578 N N07 . A1BFM B 2 .   ? -46.826 -6.299  -28.053 0.56 9.70  ? 201 A1BFM B N07 1 
HETATM 1579 O O03 . A1BFM B 2 .   ? -43.462 -7.379  -30.793 0.56 7.87  ? 201 A1BFM B O03 1 
HETATM 1580 C C1  . EDO   C 3 .   ? -50.727 -16.820 -33.116 1.00 37.06 ? 202 EDO   B C1  1 
HETATM 1581 O O1  . EDO   C 3 .   ? -49.381 -16.387 -33.067 1.00 33.02 ? 202 EDO   B O1  1 
HETATM 1582 C C2  . EDO   C 3 .   ? -51.356 -16.938 -31.790 1.00 37.26 ? 202 EDO   B C2  1 
HETATM 1583 O O2  . EDO   C 3 .   ? -51.539 -15.669 -31.187 1.00 47.03 ? 202 EDO   B O2  1 
HETATM 1584 S S   . SO4   D 4 .   ? -40.488 -24.687 -26.239 1.00 35.98 ? 203 SO4   B S   1 
HETATM 1585 O O1  . SO4   D 4 .   ? -39.725 -23.727 -26.991 1.00 24.20 ? 203 SO4   B O1  1 
HETATM 1586 O O2  . SO4   D 4 .   ? -41.431 -25.344 -27.090 1.00 41.22 ? 203 SO4   B O2  1 
HETATM 1587 O O3  . SO4   D 4 .   ? -39.563 -25.672 -25.711 1.00 41.70 ? 203 SO4   B O3  1 
HETATM 1588 O O4  . SO4   D 4 .   ? -41.208 -24.063 -25.155 1.00 40.04 ? 203 SO4   B O4  1 
HETATM 1589 O O   . HOH   E 5 .   ? -26.941 -28.555 -27.839 1.00 24.79 ? 301 HOH   B O   1 
HETATM 1590 O O   . HOH   E 5 .   ? -38.761 -15.315 -11.468 1.00 27.13 ? 302 HOH   B O   1 
HETATM 1591 O O   . HOH   E 5 .   ? -22.799 -1.869  -9.734  1.00 25.47 ? 303 HOH   B O   1 
HETATM 1592 O O   . HOH   E 5 .   ? -15.826 -5.404  -13.644 1.00 31.22 ? 304 HOH   B O   1 
HETATM 1593 O O   . HOH   E 5 .   ? -29.548 -12.627 -37.743 1.00 21.45 ? 305 HOH   B O   1 
HETATM 1594 O O   . HOH   E 5 .   ? -12.754 -21.359 -18.654 1.00 29.65 ? 306 HOH   B O   1 
HETATM 1595 O O   . HOH   E 5 .   ? -13.518 -23.624 -31.483 1.00 16.12 ? 307 HOH   B O   1 
HETATM 1596 O O   . HOH   E 5 .   ? -41.224 -8.151  -3.368  1.00 33.54 ? 308 HOH   B O   1 
HETATM 1597 O O   . HOH   E 5 .   ? -18.676 -22.022 -35.737 1.00 18.56 ? 309 HOH   B O   1 
HETATM 1598 O O   . HOH   E 5 .   ? -35.969 -22.588 -19.580 1.00 25.45 ? 310 HOH   B O   1 
HETATM 1599 O O   . HOH   E 5 .   ? -47.200 -16.938 -31.780 1.00 16.12 ? 311 HOH   B O   1 
HETATM 1600 O O   . HOH   E 5 .   ? -38.034 2.744   -22.865 1.00 16.92 ? 312 HOH   B O   1 
HETATM 1601 O O   . HOH   E 5 .   ? -19.532 -29.785 -15.515 1.00 30.74 ? 313 HOH   B O   1 
HETATM 1602 O O   . HOH   E 5 .   ? -26.361 3.349   -35.323 1.00 35.18 ? 314 HOH   B O   1 
HETATM 1603 O O   . HOH   E 5 .   ? -9.439  -18.819 -29.998 1.00 45.18 ? 315 HOH   B O   1 
HETATM 1604 O O   . HOH   E 5 .   ? -17.630 -27.655 -19.520 1.00 18.82 ? 316 HOH   B O   1 
HETATM 1605 O O   . HOH   E 5 .   ? -30.978 -6.702  -11.329 1.00 14.32 ? 317 HOH   B O   1 
HETATM 1606 O O   . HOH   E 5 .   ? -52.766 -14.099 -29.407 1.00 41.92 ? 318 HOH   B O   1 
HETATM 1607 O O   . HOH   E 5 .   ? -24.706 -31.007 -21.955 1.00 33.32 ? 319 HOH   B O   1 
HETATM 1608 O O   . HOH   E 5 .   ? -26.719 -25.728 -16.269 1.00 18.17 ? 320 HOH   B O   1 
HETATM 1609 O O   . HOH   E 5 .   ? -33.106 1.040   -33.491 1.00 18.05 ? 321 HOH   B O   1 
HETATM 1610 O O   . HOH   E 5 .   ? -36.861 -16.474 -39.353 1.00 26.85 ? 322 HOH   B O   1 
HETATM 1611 O O   . HOH   E 5 .   ? -45.680 0.017   -11.839 1.00 11.10 ? 323 HOH   B O   1 
HETATM 1612 O O   . HOH   E 5 .   ? -25.837 -22.756 -35.575 1.00 30.33 ? 324 HOH   B O   1 
HETATM 1613 O O   . HOH   E 5 .   ? -45.586 3.566   -34.030 1.00 10.73 ? 325 HOH   B O   1 
HETATM 1614 O O   . HOH   E 5 .   ? -30.932 -20.364 -21.264 1.00 11.90 ? 326 HOH   B O   1 
HETATM 1615 O O   . HOH   E 5 .   ? -38.912 -2.616  -21.305 1.00 12.95 ? 327 HOH   B O   1 
HETATM 1616 O O   . HOH   E 5 .   ? -47.980 0.430   -25.995 1.00 20.55 ? 328 HOH   B O   1 
HETATM 1617 O O   . HOH   E 5 .   ? -35.707 -19.307 -30.474 1.00 32.09 ? 329 HOH   B O   1 
HETATM 1618 O O   . HOH   E 5 .   ? -27.305 -20.333 -6.890  1.00 17.64 ? 330 HOH   B O   1 
HETATM 1619 O O   . HOH   E 5 .   ? -30.145 -24.097 -33.772 1.00 25.46 ? 331 HOH   B O   1 
HETATM 1620 O O   . HOH   E 5 .   ? -38.711 -7.586  -10.737 1.00 13.52 ? 332 HOH   B O   1 
HETATM 1621 O O   . HOH   E 5 .   ? -37.399 -25.574 -11.179 1.00 34.95 ? 333 HOH   B O   1 
HETATM 1622 O O   . HOH   E 5 .   ? -17.760 -21.313 -12.266 1.00 17.38 ? 334 HOH   B O   1 
HETATM 1623 O O   . HOH   E 5 .   ? -45.350 -12.334 -26.752 1.00 21.10 ? 335 HOH   B O   1 
HETATM 1624 O O   . HOH   E 5 .   ? -10.955 -21.318 -24.944 1.00 28.93 ? 336 HOH   B O   1 
HETATM 1625 O O   . HOH   E 5 .   ? -36.801 -26.175 -23.734 1.00 33.44 ? 337 HOH   B O   1 
HETATM 1626 O O   . HOH   E 5 .   ? -16.307 -19.702 -15.497 1.00 23.92 ? 338 HOH   B O   1 
HETATM 1627 O O   . HOH   E 5 .   ? -18.654 -4.689  -24.627 1.00 16.23 ? 339 HOH   B O   1 
HETATM 1628 O O   . HOH   E 5 .   ? -43.132 -15.291 -10.060 1.00 18.41 ? 340 HOH   B O   1 
HETATM 1629 O O   . HOH   E 5 .   ? -36.563 -23.120 -30.645 1.00 32.77 ? 341 HOH   B O   1 
HETATM 1630 O O   . HOH   E 5 .   ? -38.551 0.229   -11.702 1.00 24.17 ? 342 HOH   B O   1 
HETATM 1631 O O   . HOH   E 5 .   ? -10.379 -23.507 -21.496 1.00 27.44 ? 343 HOH   B O   1 
HETATM 1632 O O   . HOH   E 5 .   ? -41.027 -9.517  -36.787 1.00 19.62 ? 344 HOH   B O   1 
HETATM 1633 O O   . HOH   E 5 .   ? -35.887 -3.978  -10.078 1.00 32.37 ? 345 HOH   B O   1 
HETATM 1634 O O   . HOH   E 5 .   ? -23.993 1.247   -10.699 1.00 26.92 ? 346 HOH   B O   1 
HETATM 1635 O O   . HOH   E 5 .   ? -9.648  -20.851 -28.616 1.00 45.40 ? 347 HOH   B O   1 
HETATM 1636 O O   . HOH   E 5 .   ? -27.818 -27.520 -25.785 1.00 28.21 ? 348 HOH   B O   1 
HETATM 1637 O O   . HOH   E 5 .   ? -16.936 -5.663  -9.205  1.00 28.93 ? 349 HOH   B O   1 
HETATM 1638 O O   . HOH   E 5 .   ? -35.534 -17.171 -8.039  1.00 41.09 ? 350 HOH   B O   1 
HETATM 1639 O O   . HOH   E 5 .   ? -34.135 -22.066 -31.339 1.00 17.81 ? 351 HOH   B O   1 
HETATM 1640 O O   . HOH   E 5 .   ? -24.375 -4.227  -36.670 1.00 33.98 ? 352 HOH   B O   1 
HETATM 1641 O O   . HOH   E 5 .   ? -19.999 1.846   -30.348 1.00 35.39 ? 353 HOH   B O   1 
HETATM 1642 O O   . HOH   E 5 .   ? -30.885 1.110   -17.017 1.00 24.02 ? 354 HOH   B O   1 
HETATM 1643 O O   . HOH   E 5 .   ? -23.557 4.336   -24.608 1.00 26.55 ? 355 HOH   B O   1 
HETATM 1644 O O   . HOH   E 5 .   ? -38.551 3.759   -42.224 1.00 20.55 ? 356 HOH   B O   1 
HETATM 1645 O O   . HOH   E 5 .   ? -19.307 -26.209 -31.782 1.00 18.22 ? 357 HOH   B O   1 
HETATM 1646 O O   . HOH   E 5 .   ? -42.331 -11.512 -38.831 1.00 21.92 ? 358 HOH   B O   1 
HETATM 1647 O O   . HOH   E 5 .   ? -26.882 -17.650 -7.672  1.00 16.13 ? 359 HOH   B O   1 
HETATM 1648 O O   . HOH   E 5 .   ? -42.837 -5.897  -12.186 1.00 16.36 ? 360 HOH   B O   1 
HETATM 1649 O O   . HOH   E 5 .   ? -19.544 -4.354  -21.992 1.00 14.55 ? 361 HOH   B O   1 
HETATM 1650 O O   . HOH   E 5 .   ? -21.097 -16.384 -5.425  1.00 16.57 ? 362 HOH   B O   1 
HETATM 1651 O O   . HOH   E 5 .   ? -23.346 2.299   -23.071 1.00 31.06 ? 363 HOH   B O   1 
HETATM 1652 O O   . HOH   E 5 .   ? -32.609 -18.393 -37.279 1.00 34.42 ? 364 HOH   B O   1 
HETATM 1653 O O   . HOH   E 5 .   ? -26.690 2.037   -11.156 1.00 23.39 ? 365 HOH   B O   1 
HETATM 1654 O O   . HOH   E 5 .   ? -40.339 -14.552 -31.472 1.00 11.13 ? 366 HOH   B O   1 
HETATM 1655 O O   . HOH   E 5 .   ? -36.346 -1.950  -33.883 1.00 15.58 ? 367 HOH   B O   1 
HETATM 1656 O O   . HOH   E 5 .   ? -36.621 -1.105  -22.042 1.00 11.10 ? 368 HOH   B O   1 
HETATM 1657 O O   . HOH   E 5 .   ? -40.894 -14.388 -8.487  1.00 25.94 ? 369 HOH   B O   1 
HETATM 1658 O O   . HOH   E 5 .   ? -45.731 -19.759 -31.786 1.00 21.73 ? 370 HOH   B O   1 
HETATM 1659 O O   . HOH   E 5 .   ? -9.052  -13.428 -25.172 1.00 35.23 ? 371 HOH   B O   1 
HETATM 1660 O O   . HOH   E 5 .   ? -42.342 -4.021  -39.518 1.00 17.87 ? 372 HOH   B O   1 
HETATM 1661 O O   . HOH   E 5 .   ? -19.290 -29.253 -23.363 1.00 24.64 ? 373 HOH   B O   1 
HETATM 1662 O O   . HOH   E 5 .   ? -16.081 -11.976 -5.711  1.00 44.10 ? 374 HOH   B O   1 
HETATM 1663 O O   . HOH   E 5 .   ? -17.829 -19.908 -37.461 1.00 29.39 ? 375 HOH   B O   1 
HETATM 1664 O O   . HOH   E 5 .   ? -32.525 -5.049  -12.953 1.00 12.41 ? 376 HOH   B O   1 
HETATM 1665 O O   . HOH   E 5 .   ? -50.019 -2.631  -19.536 1.00 27.04 ? 377 HOH   B O   1 
HETATM 1666 O O   . HOH   E 5 .   ? -38.108 -14.822 -21.264 1.00 36.36 ? 378 HOH   B O   1 
HETATM 1667 O O   . HOH   E 5 .   ? -24.223 -12.420 -6.409  1.00 16.59 ? 379 HOH   B O   1 
HETATM 1668 O O   . HOH   E 5 .   ? -12.742 -18.528 -34.535 1.00 37.25 ? 380 HOH   B O   1 
HETATM 1669 O O   . HOH   E 5 .   ? -45.809 -14.892 -27.545 1.00 20.70 ? 381 HOH   B O   1 
HETATM 1670 O O   . HOH   E 5 .   ? -16.257 -14.563 -8.521  1.00 32.24 ? 382 HOH   B O   1 
HETATM 1671 O O   . HOH   E 5 .   ? -25.798 -14.288 -2.995  1.00 28.17 ? 383 HOH   B O   1 
HETATM 1672 O O   . HOH   E 5 .   ? -41.142 -6.074  -38.060 1.00 22.02 ? 384 HOH   B O   1 
HETATM 1673 O O   . HOH   E 5 .   ? -15.008 -19.790 -37.443 1.00 25.90 ? 385 HOH   B O   1 
HETATM 1674 O O   . HOH   E 5 .   ? -35.555 -4.789  -42.265 1.00 21.50 ? 386 HOH   B O   1 
HETATM 1675 O O   . HOH   E 5 .   ? -25.459 -10.507 -23.510 1.00 12.87 ? 387 HOH   B O   1 
HETATM 1676 O O   . HOH   E 5 .   ? -25.056 -15.071 -6.752  1.00 15.26 ? 388 HOH   B O   1 
HETATM 1677 O O   . HOH   E 5 .   ? -34.314 -7.072  -8.043  1.00 25.79 ? 389 HOH   B O   1 
HETATM 1678 O O   . HOH   E 5 .   ? -14.516 -16.620 -33.062 1.00 27.64 ? 390 HOH   B O   1 
HETATM 1679 O O   . HOH   E 5 .   ? -29.068 7.616   -30.034 1.00 30.68 ? 391 HOH   B O   1 
HETATM 1680 O O   . HOH   E 5 .   ? -13.511 -21.105 -34.918 1.00 31.63 ? 392 HOH   B O   1 
HETATM 1681 O O   . HOH   E 5 .   ? -31.171 3.977   -24.229 1.00 22.56 ? 393 HOH   B O   1 
HETATM 1682 O O   . HOH   E 5 .   ? -33.980 -21.976 -36.530 1.00 43.06 ? 394 HOH   B O   1 
HETATM 1683 O O   . HOH   E 5 .   ? -18.309 -17.377 -36.230 1.00 25.81 ? 395 HOH   B O   1 
HETATM 1684 O O   . HOH   E 5 .   ? -37.217 0.810   -15.573 1.00 13.34 ? 396 HOH   B O   1 
HETATM 1685 O O   . HOH   E 5 .   ? -50.329 -8.275  -24.638 1.00 26.84 ? 397 HOH   B O   1 
HETATM 1686 O O   . HOH   E 5 .   ? -31.668 3.244   -26.784 1.00 19.59 ? 398 HOH   B O   1 
HETATM 1687 O O   . HOH   E 5 .   ? -13.339 -6.232  -29.019 1.00 29.88 ? 399 HOH   B O   1 
HETATM 1688 O O   . HOH   E 5 .   ? -46.079 -4.302  -34.211 1.00 12.80 ? 400 HOH   B O   1 
HETATM 1689 O O   . HOH   E 5 .   ? -25.827 -27.050 -23.773 1.00 17.27 ? 401 HOH   B O   1 
HETATM 1690 O O   . HOH   E 5 .   ? -24.213 -26.702 -15.907 1.00 22.43 ? 402 HOH   B O   1 
HETATM 1691 O O   . HOH   E 5 .   ? -33.565 -1.892  -38.351 1.00 24.95 ? 403 HOH   B O   1 
HETATM 1692 O O   . HOH   E 5 .   ? -40.144 2.674   -16.153 1.00 15.95 ? 404 HOH   B O   1 
HETATM 1693 O O   . HOH   E 5 .   ? -36.380 -0.430  -42.028 1.00 27.78 ? 405 HOH   B O   1 
HETATM 1694 O O   . HOH   E 5 .   ? -41.822 -8.498  -13.218 1.00 16.30 ? 406 HOH   B O   1 
HETATM 1695 O O   . HOH   E 5 .   ? -25.088 -11.012 -4.092  1.00 21.78 ? 407 HOH   B O   1 
HETATM 1696 O O   . HOH   E 5 .   ? -9.523  -15.906 -26.470 1.00 27.48 ? 408 HOH   B O   1 
HETATM 1697 O O   . HOH   E 5 .   ? -33.566 -14.927 -6.872  1.00 23.26 ? 409 HOH   B O   1 
HETATM 1698 O O   . HOH   E 5 .   ? -17.926 -11.165 -35.469 1.00 25.83 ? 410 HOH   B O   1 
HETATM 1699 O O   . HOH   E 5 .   ? -40.171 -11.682 -22.873 1.00 27.17 ? 411 HOH   B O   1 
HETATM 1700 O O   . HOH   E 5 .   ? -18.121 -16.085 -6.077  1.00 23.69 ? 412 HOH   B O   1 
HETATM 1701 O O   . HOH   E 5 .   ? -34.899 -9.044  -5.813  1.00 35.92 ? 413 HOH   B O   1 
HETATM 1702 O O   . HOH   E 5 .   ? -43.268 3.680   -18.752 1.00 18.43 ? 414 HOH   B O   1 
HETATM 1703 O O   . HOH   E 5 .   ? -42.527 -5.159  -43.698 1.00 18.45 ? 415 HOH   B O   1 
HETATM 1704 O O   . HOH   E 5 .   ? -40.432 -7.671  -34.720 1.00 15.10 ? 416 HOH   B O   1 
HETATM 1705 O O   . HOH   E 5 .   ? -47.445 0.062   -32.886 1.00 26.78 ? 417 HOH   B O   1 
HETATM 1706 O O   . HOH   E 5 .   ? -41.907 -10.070 -43.810 1.00 27.43 ? 418 HOH   B O   1 
HETATM 1707 O O   . HOH   E 5 .   ? -41.275 -8.933  -19.382 1.00 12.09 ? 419 HOH   B O   1 
HETATM 1708 O O   . HOH   E 5 .   ? -20.085 2.405   -24.172 1.00 37.08 ? 420 HOH   B O   1 
HETATM 1709 O O   . HOH   E 5 .   ? -30.631 -17.438 -42.873 1.00 38.00 ? 421 HOH   B O   1 
HETATM 1710 O O   . HOH   E 5 .   ? -25.421 6.981   -28.917 1.00 27.37 ? 422 HOH   B O   1 
HETATM 1711 O O   . HOH   E 5 .   ? -32.765 -23.601 -33.462 1.00 35.27 ? 423 HOH   B O   1 
HETATM 1712 O O   . HOH   E 5 .   ? -16.321 -7.500  -11.298 1.00 24.55 ? 424 HOH   B O   1 
HETATM 1713 O O   . HOH   E 5 .   ? -39.523 -1.188  -9.355  1.00 28.29 ? 425 HOH   B O   1 
HETATM 1714 O O   . HOH   E 5 .   ? -39.369 3.978   -13.562 1.00 26.78 ? 426 HOH   B O   1 
HETATM 1715 O O   . HOH   E 5 .   ? -34.058 5.310   -17.751 1.00 33.75 ? 427 HOH   B O   1 
HETATM 1716 O O   . HOH   E 5 .   ? -26.251 -28.224 -21.328 1.00 36.92 ? 428 HOH   B O   1 
HETATM 1717 O O   . HOH   E 5 .   ? -8.344  -23.250 -29.969 1.00 36.30 ? 429 HOH   B O   1 
HETATM 1718 O O   . HOH   E 5 .   ? -21.891 6.977   -32.155 1.00 31.19 ? 430 HOH   B O   1 
HETATM 1719 O O   . HOH   E 5 .   ? -36.768 -6.528  -8.976  1.00 21.51 ? 431 HOH   B O   1 
HETATM 1720 O O   . HOH   E 5 .   ? -40.150 5.178   -22.049 1.00 23.93 ? 432 HOH   B O   1 
HETATM 1721 O O   . HOH   E 5 .   ? -22.928 3.229   -20.565 1.00 39.82 ? 433 HOH   B O   1 
HETATM 1722 O O   . HOH   E 5 .   ? -41.812 6.901   -32.821 1.00 19.04 ? 434 HOH   B O   1 
HETATM 1723 O O   . HOH   E 5 .   ? -36.514 2.133   -42.938 1.00 38.39 ? 435 HOH   B O   1 
HETATM 1724 O O   . HOH   E 5 .   ? -38.902 -16.581 -40.917 1.00 38.86 ? 436 HOH   B O   1 
HETATM 1725 O O   . HOH   E 5 .   ? -16.027 -22.382 -14.538 1.00 28.15 ? 437 HOH   B O   1 
HETATM 1726 O O   . HOH   E 5 .   ? -28.524 -27.768 -16.684 1.00 24.57 ? 438 HOH   B O   1 
HETATM 1727 O O   . HOH   E 5 .   ? -16.245 -26.906 -17.097 1.00 34.53 ? 439 HOH   B O   1 
HETATM 1728 O O   . HOH   E 5 .   ? -26.463 -31.144 -23.902 1.00 28.86 ? 440 HOH   B O   1 
HETATM 1729 O O   . HOH   E 5 .   ? -42.511 -12.835 -22.541 1.00 24.27 ? 441 HOH   B O   1 
# 
