data_7HMR
# 
_entry.id   7HMR 
# 
_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   7HMR         pdb_00007hmr 10.2210/pdb7hmr/pdb 
WWPDB D_1001407669 ?            ?                   
# 
_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                        7HMR 
_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 'N-{[(2R)-oxolan-2-yl]methyl}pyridin-4-amine'         178.231   1   ?        ? ? ? 
3 non-polymer syn '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' 238.305   1   ?        ? ? ? 
4 non-polymer syn 1,2-ETHANEDIOL                                        62.068    1   ?        ? ? ? 
5 non-polymer syn 'SULFATE ION'                                         96.063    1   ?        ? ? ? 
6 water       nat water                                                 18.015    146 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 'N-{[(2R)-oxolan-2-yl]methyl}pyridin-4-amine'         A1BFL 
3 '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' EPE   
4 1,2-ETHANEDIOL                                        EDO   
5 'SULFATE ION'                                         SO4   
6 water                                                 HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1BFL non-polymer         . 'N-{[(2R)-oxolan-2-yl]methyl}pyridin-4-amine'         ?                 'C10 H14 N2 O'   178.231 
ALA   'L-peptide linking' y ALANINE                                               ?                 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE                                              ?                 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE                                            ?                 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID'                                       ?                 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE                                              ?                 'C3 H7 N O2 S'   121.158 
EDO   non-polymer         . 1,2-ETHANEDIOL                                        'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
EPE   non-polymer         . '4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID' HEPES             'C8 H18 N2 O4 S' 238.305 
GLN   'L-peptide linking' y GLUTAMINE                                             ?                 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'                                       ?                 'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE                                               ?                 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking' y HISTIDINE                                             ?                 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER                                                 ?                 'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE                                            ?                 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE                                               ?                 'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE                                                ?                 'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE                                            ?                 'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE                                         ?                 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE                                               ?                 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE                                                ?                 'C3 H7 N O3'     105.093 
SO4   non-polymer         . 'SULFATE ION'                                         ?                 'O4 S -2'        96.063  
THR   'L-peptide linking' y THREONINE                                             ?                 'C4 H9 N O3'     119.119 
TRP   'L-peptide linking' y TRYPTOPHAN                                            ?                 'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking' y TYROSINE                                              ?                 'C9 H11 N O3'    181.189 
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        A1BFL 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BFL 
_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 A1BFL 1   201 302 A1BFL LIG B . 
C 3 EPE   1   202 303 EPE   EPE B . 
D 4 EDO   1   203 305 EDO   EDO B . 
E 5 SO4   1   204 1   SO4   SO4 B . 
F 6 HOH   1   301 2   HOH   HOH B . 
F 6 HOH   2   302 29  HOH   HOH B . 
F 6 HOH   3   303 107 HOH   HOH B . 
F 6 HOH   4   304 11  HOH   HOH B . 
F 6 HOH   5   305 12  HOH   HOH B . 
F 6 HOH   6   306 85  HOH   HOH B . 
F 6 HOH   7   307 26  HOH   HOH B . 
F 6 HOH   8   308 33  HOH   HOH B . 
F 6 HOH   9   309 4   HOH   HOH B . 
F 6 HOH   10  310 40  HOH   HOH B . 
F 6 HOH   11  311 63  HOH   HOH B . 
F 6 HOH   12  312 21  HOH   HOH B . 
F 6 HOH   13  313 5   HOH   HOH B . 
F 6 HOH   14  314 1   HOH   HOH B . 
F 6 HOH   15  315 129 HOH   HOH B . 
F 6 HOH   16  316 9   HOH   HOH B . 
F 6 HOH   17  317 102 HOH   HOH B . 
F 6 HOH   18  318 34  HOH   HOH B . 
F 6 HOH   19  319 27  HOH   HOH B . 
F 6 HOH   20  320 90  HOH   HOH B . 
F 6 HOH   21  321 10  HOH   HOH B . 
F 6 HOH   22  322 99  HOH   HOH B . 
F 6 HOH   23  323 95  HOH   HOH B . 
F 6 HOH   24  324 16  HOH   HOH B . 
F 6 HOH   25  325 31  HOH   HOH B . 
F 6 HOH   26  326 89  HOH   HOH B . 
F 6 HOH   27  327 25  HOH   HOH B . 
F 6 HOH   28  328 11  HOH   HOH B . 
F 6 HOH   29  329 70  HOH   HOH B . 
F 6 HOH   30  330 36  HOH   HOH B . 
F 6 HOH   31  331 72  HOH   HOH B . 
F 6 HOH   32  332 28  HOH   HOH B . 
F 6 HOH   33  333 51  HOH   HOH B . 
F 6 HOH   34  334 39  HOH   HOH B . 
F 6 HOH   35  335 80  HOH   HOH B . 
F 6 HOH   36  336 68  HOH   HOH B . 
F 6 HOH   37  337 18  HOH   HOH B . 
F 6 HOH   38  338 22  HOH   HOH B . 
F 6 HOH   39  339 86  HOH   HOH B . 
F 6 HOH   40  340 20  HOH   HOH B . 
F 6 HOH   41  341 7   HOH   HOH B . 
F 6 HOH   42  342 26  HOH   HOH B . 
F 6 HOH   43  343 100 HOH   HOH B . 
F 6 HOH   44  344 55  HOH   HOH B . 
F 6 HOH   45  345 184 HOH   HOH B . 
F 6 HOH   46  346 2   HOH   HOH B . 
F 6 HOH   47  347 27  HOH   HOH B . 
F 6 HOH   48  348 214 HOH   HOH B . 
F 6 HOH   49  349 62  HOH   HOH B . 
F 6 HOH   50  350 58  HOH   HOH B . 
F 6 HOH   51  351 6   HOH   HOH B . 
F 6 HOH   52  352 126 HOH   HOH B . 
F 6 HOH   53  353 10  HOH   HOH B . 
F 6 HOH   54  354 157 HOH   HOH B . 
F 6 HOH   55  355 16  HOH   HOH B . 
F 6 HOH   56  356 17  HOH   HOH B . 
F 6 HOH   57  357 50  HOH   HOH B . 
F 6 HOH   58  358 267 HOH   HOH B . 
F 6 HOH   59  359 81  HOH   HOH B . 
F 6 HOH   60  360 29  HOH   HOH B . 
F 6 HOH   61  361 1   HOH   HOH B . 
F 6 HOH   62  362 4   HOH   HOH B . 
F 6 HOH   63  363 3   HOH   HOH B . 
F 6 HOH   64  364 66  HOH   HOH B . 
F 6 HOH   65  365 8   HOH   HOH B . 
F 6 HOH   66  366 82  HOH   HOH B . 
F 6 HOH   67  367 25  HOH   HOH B . 
F 6 HOH   68  368 32  HOH   HOH B . 
F 6 HOH   69  369 93  HOH   HOH B . 
F 6 HOH   70  370 304 HOH   HOH B . 
F 6 HOH   71  371 61  HOH   HOH B . 
F 6 HOH   72  372 73  HOH   HOH B . 
F 6 HOH   73  373 59  HOH   HOH B . 
F 6 HOH   74  374 15  HOH   HOH B . 
F 6 HOH   75  375 13  HOH   HOH B . 
F 6 HOH   76  376 47  HOH   HOH B . 
F 6 HOH   77  377 19  HOH   HOH B . 
F 6 HOH   78  378 76  HOH   HOH B . 
F 6 HOH   79  379 137 HOH   HOH B . 
F 6 HOH   80  380 3   HOH   HOH B . 
F 6 HOH   81  381 281 HOH   HOH B . 
F 6 HOH   82  382 71  HOH   HOH B . 
F 6 HOH   83  383 43  HOH   HOH B . 
F 6 HOH   84  384 211 HOH   HOH B . 
F 6 HOH   85  385 14  HOH   HOH B . 
F 6 HOH   86  386 156 HOH   HOH B . 
F 6 HOH   87  387 116 HOH   HOH B . 
F 6 HOH   88  388 48  HOH   HOH B . 
F 6 HOH   89  389 33  HOH   HOH B . 
F 6 HOH   90  390 103 HOH   HOH B . 
F 6 HOH   91  391 154 HOH   HOH B . 
F 6 HOH   92  392 60  HOH   HOH B . 
F 6 HOH   93  393 8   HOH   HOH B . 
F 6 HOH   94  394 257 HOH   HOH B . 
F 6 HOH   95  395 125 HOH   HOH B . 
F 6 HOH   96  396 46  HOH   HOH B . 
F 6 HOH   97  397 172 HOH   HOH B . 
F 6 HOH   98  398 24  HOH   HOH B . 
F 6 HOH   99  399 32  HOH   HOH B . 
F 6 HOH   100 400 64  HOH   HOH B . 
F 6 HOH   101 401 303 HOH   HOH B . 
F 6 HOH   102 402 56  HOH   HOH B . 
F 6 HOH   103 403 23  HOH   HOH B . 
F 6 HOH   104 404 57  HOH   HOH B . 
F 6 HOH   105 405 18  HOH   HOH B . 
F 6 HOH   106 406 97  HOH   HOH B . 
F 6 HOH   107 407 12  HOH   HOH B . 
F 6 HOH   108 408 54  HOH   HOH B . 
F 6 HOH   109 409 140 HOH   HOH B . 
F 6 HOH   110 410 45  HOH   HOH B . 
F 6 HOH   111 411 20  HOH   HOH B . 
F 6 HOH   112 412 49  HOH   HOH B . 
F 6 HOH   113 413 7   HOH   HOH B . 
F 6 HOH   114 414 38  HOH   HOH B . 
F 6 HOH   115 415 69  HOH   HOH B . 
F 6 HOH   116 416 263 HOH   HOH B . 
F 6 HOH   117 417 22  HOH   HOH B . 
F 6 HOH   118 418 42  HOH   HOH B . 
F 6 HOH   119 419 133 HOH   HOH B . 
F 6 HOH   120 420 30  HOH   HOH B . 
F 6 HOH   121 421 44  HOH   HOH B . 
F 6 HOH   122 422 5   HOH   HOH B . 
F 6 HOH   123 423 53  HOH   HOH B . 
F 6 HOH   124 424 120 HOH   HOH B . 
F 6 HOH   125 425 15  HOH   HOH B . 
F 6 HOH   126 426 41  HOH   HOH B . 
F 6 HOH   127 427 19  HOH   HOH B . 
F 6 HOH   128 428 197 HOH   HOH B . 
F 6 HOH   129 429 112 HOH   HOH B . 
F 6 HOH   130 430 264 HOH   HOH B . 
F 6 HOH   131 431 114 HOH   HOH B . 
F 6 HOH   132 432 30  HOH   HOH B . 
F 6 HOH   133 433 266 HOH   HOH B . 
F 6 HOH   134 434 23  HOH   HOH B . 
F 6 HOH   135 435 115 HOH   HOH B . 
F 6 HOH   136 436 21  HOH   HOH B . 
F 6 HOH   137 437 13  HOH   HOH B . 
F 6 HOH   138 438 98  HOH   HOH B . 
F 6 HOH   139 439 104 HOH   HOH B . 
F 6 HOH   140 440 205 HOH   HOH B . 
F 6 HOH   141 441 127 HOH   HOH B . 
F 6 HOH   142 442 14  HOH   HOH B . 
F 6 HOH   143 443 166 HOH   HOH B . 
F 6 HOH   144 444 131 HOH   HOH B . 
F 6 HOH   145 445 270 HOH   HOH B . 
F 6 HOH   146 446 259 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           7HMR 
_cell.length_a           95.423 
_cell.length_b           95.423 
_cell.length_c           45.794 
_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                         7HMR 
_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          7HMR 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.04 
_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                     7HMR 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             41.290 
_reflns.d_resolution_high            1.150 
_reflns.number_obs                   61624 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         83.100 
_reflns.pdbx_Rmerge_I_obs            0.042 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        27.900 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              9.600 
_reflns.pdbx_Rrim_I_all              0.044 
_reflns.pdbx_Rpim_I_all              0.012 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     589970 
_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 1.150 1.170  ? 320  311 ? 0.317 ? ? ? 1.000  ? 0.900  ? ? ? ? ? ? 8.500  0.448 0.317 ?     
1 2 6.270 41.290 ? 6226 488 ? 0.049 ? ? ? 12.800 ? 93.300 ? ? ? ? ? ? 99.700 0.051 0.015 0.994 
# 
_refine.entry_id                                 7HMR 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.1500 
_refine.ls_d_res_low                             41.3200 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    83.2600 
_refine.ls_number_reflns_obs                     58629 
_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                          0.1771 
_refine.ls_R_factor_R_work                       0.1763 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.1916 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  2995 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               14.4970 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.0900 
_refine.aniso_B[2][2]                            0.0900 
_refine.aniso_B[3][3]                            -0.1700 
_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               0.9680 
_refine.correlation_coeff_Fo_to_Fc_free          0.9630 
_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                       0.0430 
_refine.pdbx_overall_ESU_R_Free                  0.0430 
_refine.overall_SU_ML                            0.0280 
_refine.overall_SU_B                             0.6330 
_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                                84.480 
_refine.B_iso_min                                7.100 
_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                       1.1500 
_refine_hist.d_res_low                        41.3200 
_refine_hist.pdbx_number_atoms_ligand         37 
_refine_hist.number_atoms_solvent             146 
_refine_hist.number_atoms_total               1676 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           42.77 
_refine_hist.pdbx_B_iso_mean_solvent          24.15 
_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       2036 0.014  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1645 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2542 1.898  1.646  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3806 1.436  1.577  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 235  7.150  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 107  27.753 21.215 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 285  11.570 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.669 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         219  0.088  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2220 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     496  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            946  1.242  1.218  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         942  1.219  1.208  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1129 1.940  1.825  ? ? 
# 
_refine_ls_shell.d_res_high                       1.1460 
_refine_ls_shell.d_res_low                        1.1750 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               11.8700 
_refine_ls_shell.number_reflns_R_work             626 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3000 
_refine_ls_shell.R_factor_R_free                  0.2660 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             24 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                650 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HMR 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1267882044' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HMR 
_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 ? 
F N N 6 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HMR 
_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 7HMR MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HMR HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HMR HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HMR HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HMR HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HMR HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HMR HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HMR MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F 
# 
_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       -1.35 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 7 ? 
AA2 ? 6 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 LEU A 22  ? ILE A 24  ? LEU B 28  ILE B 30  
AA1 2 GLN A 30  ? MET A 33  ? GLN B 36  MET B 39  
AA1 3 LEU A 181 ? LEU A 183 ? LEU B 187 LEU B 189 
AA1 4 LYS A 63  ? ASP A 69  ? LYS B 69  ASP B 75  
AA1 5 GLN A 127 ? ASP A 133 ? GLN B 133 ASP B 139 
AA1 6 VAL A 138 ? ASN A 143 ? VAL B 144 ASN B 149 
AA1 7 SER A 149 ? PHE A 154 ? SER B 155 PHE B 160 
AA2 1 MET A 52  ? LEU A 54  ? MET B 58  LEU B 60  
AA2 2 LEU A 163 ? ASN A 168 ? LEU B 169 ASN B 174 
AA2 3 TRP A 76  ? ARG A 82  ? TRP B 82  ARG B 88  
AA2 4 PHE A 99  ? TRP A 105 ? PHE B 105 TRP B 111 
AA2 5 SER A 108 ? ALA A 111 ? SER B 114 ALA B 117 
AA2 6 THR A 117 ? THR A 118 ? THR B 123 THR B 124 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N ILE A 23  ? N ILE B 29  O ARG A 32  ? O ARG B 38  
AA1 2 3 N VAL A 31  ? N VAL B 37  O LEU A 181 ? O LEU B 187 
AA1 3 4 O LYS A 182 ? O LYS B 188 N ASP A 69  ? N ASP B 75  
AA1 4 5 N TRP A 66  ? N TRP B 72  O ILE A 130 ? O ILE B 136 
AA1 5 6 N PHE A 131 ? N PHE B 137 O SER A 140 ? O SER B 146 
AA1 6 7 N PHE A 141 ? N PHE B 147 O ILE A 151 ? O ILE B 157 
AA2 1 2 N VAL A 53  ? N VAL B 59  O PHE A 167 ? O PHE B 173 
AA2 2 3 O ARG A 164 ? O ARG B 170 N CYS A 81  ? N CYS B 87  
AA2 3 4 N VAL A 80  ? N VAL B 86  O TRP A 100 ? O TRP B 106 
AA2 4 5 N TRP A 105 ? N TRP B 111 O SER A 108 ? O SER B 114 
AA2 5 6 N ALA A 111 ? N ALA B 117 O THR A 117 ? O THR B 123 
# 
_pdbx_entry_details.entry_id                   7HMR 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            CD 
_pdbx_validate_rmsd_bond.auth_asym_id_1            B 
_pdbx_validate_rmsd_bond.auth_comp_id_1            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_1             141 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            OE1 
_pdbx_validate_rmsd_bond.auth_asym_id_2            B 
_pdbx_validate_rmsd_bond.auth_comp_id_2            GLU 
_pdbx_validate_rmsd_bond.auth_seq_id_2             141 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.183 
_pdbx_validate_rmsd_bond.bond_target_value         1.252 
_pdbx_validate_rmsd_bond.bond_deviation            -0.069 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.011 
_pdbx_validate_rmsd_bond.linker_flag               N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                129.93 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            18.13 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASN B 45  ? ? 70.78   35.44 
2 1 ASP B 152 ? ? -103.98 53.03 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     431 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   F 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
_phasing.method   MR 
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1 1 Y 1 B MET 7   ? A MET 1   
2 1 Y 1 B LYS 193 ? A LYS 187 
3 1 Y 1 B MET 194 ? A MET 188 
# 
loop_
_chem_comp_atom.comp_id 
_chem_comp_atom.atom_id 
_chem_comp_atom.type_symbol 
_chem_comp_atom.pdbx_aromatic_flag 
_chem_comp_atom.pdbx_stereo_config 
_chem_comp_atom.pdbx_ordinal 
A1BFL N1   N N N 1   
A1BFL C4   C Y N 2   
A1BFL C5   C Y N 3   
A1BFL C6   C Y N 4   
A1BFL C7   C N R 5   
A1BFL C8   C N N 6   
A1BFL C10  C N N 7   
A1BFL C1   C N N 8   
A1BFL C2   C Y N 9   
A1BFL C3   C Y N 10  
A1BFL C9   C N N 11  
A1BFL N2   N Y N 12  
A1BFL O1   O N N 13  
A1BFL H3   H N N 14  
A1BFL H5   H N N 15  
A1BFL H6   H N N 16  
A1BFL H7   H N N 17  
A1BFL H8   H N N 18  
A1BFL H10  H N N 19  
A1BFL H9   H N N 20  
A1BFL H14  H N N 21  
A1BFL H13  H N N 22  
A1BFL H1   H N N 23  
A1BFL H2   H N N 24  
A1BFL H4   H N N 25  
A1BFL H12  H N N 26  
A1BFL H11  H N N 27  
ALA   N    N N N 28  
ALA   CA   C N S 29  
ALA   C    C N N 30  
ALA   O    O N N 31  
ALA   CB   C N N 32  
ALA   OXT  O N N 33  
ALA   H    H N N 34  
ALA   H2   H N N 35  
ALA   HA   H N N 36  
ALA   HB1  H N N 37  
ALA   HB2  H N N 38  
ALA   HB3  H N N 39  
ALA   HXT  H N N 40  
ARG   N    N N N 41  
ARG   CA   C N S 42  
ARG   C    C N N 43  
ARG   O    O N N 44  
ARG   CB   C N N 45  
ARG   CG   C N N 46  
ARG   CD   C N N 47  
ARG   NE   N N N 48  
ARG   CZ   C N N 49  
ARG   NH1  N N N 50  
ARG   NH2  N N N 51  
ARG   OXT  O N N 52  
ARG   H    H N N 53  
ARG   H2   H N N 54  
ARG   HA   H N N 55  
ARG   HB2  H N N 56  
ARG   HB3  H N N 57  
ARG   HG2  H N N 58  
ARG   HG3  H N N 59  
ARG   HD2  H N N 60  
ARG   HD3  H N N 61  
ARG   HE   H N N 62  
ARG   HH11 H N N 63  
ARG   HH12 H N N 64  
ARG   HH21 H N N 65  
ARG   HH22 H N N 66  
ARG   HXT  H N N 67  
ASN   N    N N N 68  
ASN   CA   C N S 69  
ASN   C    C N N 70  
ASN   O    O N N 71  
ASN   CB   C N N 72  
ASN   CG   C N N 73  
ASN   OD1  O N N 74  
ASN   ND2  N N N 75  
ASN   OXT  O N N 76  
ASN   H    H N N 77  
ASN   H2   H N N 78  
ASN   HA   H N N 79  
ASN   HB2  H N N 80  
ASN   HB3  H N N 81  
ASN   HD21 H N N 82  
ASN   HD22 H N N 83  
ASN   HXT  H N N 84  
ASP   N    N N N 85  
ASP   CA   C N S 86  
ASP   C    C N N 87  
ASP   O    O N N 88  
ASP   CB   C N N 89  
ASP   CG   C N N 90  
ASP   OD1  O N N 91  
ASP   OD2  O N N 92  
ASP   OXT  O N N 93  
ASP   H    H N N 94  
ASP   H2   H N N 95  
ASP   HA   H N N 96  
ASP   HB2  H N N 97  
ASP   HB3  H N N 98  
ASP   HD2  H N N 99  
ASP   HXT  H N N 100 
CYS   N    N N N 101 
CYS   CA   C N R 102 
CYS   C    C N N 103 
CYS   O    O N N 104 
CYS   CB   C N N 105 
CYS   SG   S N N 106 
CYS   OXT  O N N 107 
CYS   H    H N N 108 
CYS   H2   H N N 109 
CYS   HA   H N N 110 
CYS   HB2  H N N 111 
CYS   HB3  H N N 112 
CYS   HG   H N N 113 
CYS   HXT  H N N 114 
EDO   C1   C N N 115 
EDO   O1   O N N 116 
EDO   C2   C N N 117 
EDO   O2   O N N 118 
EDO   H11  H N N 119 
EDO   H12  H N N 120 
EDO   HO1  H N N 121 
EDO   H21  H N N 122 
EDO   H22  H N N 123 
EDO   HO2  H N N 124 
EPE   N1   N N N 125 
EPE   C2   C N N 126 
EPE   C3   C N N 127 
EPE   N4   N N N 128 
EPE   C5   C N N 129 
EPE   C6   C N N 130 
EPE   C7   C N N 131 
EPE   C8   C N N 132 
EPE   O8   O N N 133 
EPE   C9   C N N 134 
EPE   C10  C N N 135 
EPE   S    S N N 136 
EPE   O1S  O N N 137 
EPE   O2S  O N N 138 
EPE   O3S  O N N 139 
EPE   H21  H N N 140 
EPE   H22  H N N 141 
EPE   H31  H N N 142 
EPE   H32  H N N 143 
EPE   H51  H N N 144 
EPE   H52  H N N 145 
EPE   H61  H N N 146 
EPE   H62  H N N 147 
EPE   H71  H N N 148 
EPE   H72  H N N 149 
EPE   H81  H N N 150 
EPE   H82  H N N 151 
EPE   HO8  H N N 152 
EPE   H91  H N N 153 
EPE   H92  H N N 154 
EPE   H101 H N N 155 
EPE   H102 H N N 156 
EPE   HOS3 H N N 157 
GLN   N    N N N 158 
GLN   CA   C N S 159 
GLN   C    C N N 160 
GLN   O    O N N 161 
GLN   CB   C N N 162 
GLN   CG   C N N 163 
GLN   CD   C N N 164 
GLN   OE1  O N N 165 
GLN   NE2  N N N 166 
GLN   OXT  O N N 167 
GLN   H    H N N 168 
GLN   H2   H N N 169 
GLN   HA   H N N 170 
GLN   HB2  H N N 171 
GLN   HB3  H N N 172 
GLN   HG2  H N N 173 
GLN   HG3  H N N 174 
GLN   HE21 H N N 175 
GLN   HE22 H N N 176 
GLN   HXT  H N N 177 
GLU   N    N N N 178 
GLU   CA   C N S 179 
GLU   C    C N N 180 
GLU   O    O N N 181 
GLU   CB   C N N 182 
GLU   CG   C N N 183 
GLU   CD   C N N 184 
GLU   OE1  O N N 185 
GLU   OE2  O N N 186 
GLU   OXT  O N N 187 
GLU   H    H N N 188 
GLU   H2   H N N 189 
GLU   HA   H N N 190 
GLU   HB2  H N N 191 
GLU   HB3  H N N 192 
GLU   HG2  H N N 193 
GLU   HG3  H N N 194 
GLU   HE2  H N N 195 
GLU   HXT  H N N 196 
GLY   N    N N N 197 
GLY   CA   C N N 198 
GLY   C    C N N 199 
GLY   O    O N N 200 
GLY   OXT  O N N 201 
GLY   H    H N N 202 
GLY   H2   H N N 203 
GLY   HA2  H N N 204 
GLY   HA3  H N N 205 
GLY   HXT  H N N 206 
HIS   N    N N N 207 
HIS   CA   C N S 208 
HIS   C    C N N 209 
HIS   O    O N N 210 
HIS   CB   C N N 211 
HIS   CG   C Y N 212 
HIS   ND1  N Y N 213 
HIS   CD2  C Y N 214 
HIS   CE1  C Y N 215 
HIS   NE2  N Y N 216 
HIS   OXT  O N N 217 
HIS   H    H N N 218 
HIS   H2   H N N 219 
HIS   HA   H N N 220 
HIS   HB2  H N N 221 
HIS   HB3  H N N 222 
HIS   HD1  H N N 223 
HIS   HD2  H N N 224 
HIS   HE1  H N N 225 
HIS   HE2  H N N 226 
HIS   HXT  H N N 227 
HOH   O    O N N 228 
HOH   H1   H N N 229 
HOH   H2   H N N 230 
ILE   N    N N N 231 
ILE   CA   C N S 232 
ILE   C    C N N 233 
ILE   O    O N N 234 
ILE   CB   C N S 235 
ILE   CG1  C N N 236 
ILE   CG2  C N N 237 
ILE   CD1  C N N 238 
ILE   OXT  O N N 239 
ILE   H    H N N 240 
ILE   H2   H N N 241 
ILE   HA   H N N 242 
ILE   HB   H N N 243 
ILE   HG12 H N N 244 
ILE   HG13 H N N 245 
ILE   HG21 H N N 246 
ILE   HG22 H N N 247 
ILE   HG23 H N N 248 
ILE   HD11 H N N 249 
ILE   HD12 H N N 250 
ILE   HD13 H N N 251 
ILE   HXT  H N N 252 
LEU   N    N N N 253 
LEU   CA   C N S 254 
LEU   C    C N N 255 
LEU   O    O N N 256 
LEU   CB   C N N 257 
LEU   CG   C N N 258 
LEU   CD1  C N N 259 
LEU   CD2  C N N 260 
LEU   OXT  O N N 261 
LEU   H    H N N 262 
LEU   H2   H N N 263 
LEU   HA   H N N 264 
LEU   HB2  H N N 265 
LEU   HB3  H N N 266 
LEU   HG   H N N 267 
LEU   HD11 H N N 268 
LEU   HD12 H N N 269 
LEU   HD13 H N N 270 
LEU   HD21 H N N 271 
LEU   HD22 H N N 272 
LEU   HD23 H N N 273 
LEU   HXT  H N N 274 
LYS   N    N N N 275 
LYS   CA   C N S 276 
LYS   C    C N N 277 
LYS   O    O N N 278 
LYS   CB   C N N 279 
LYS   CG   C N N 280 
LYS   CD   C N N 281 
LYS   CE   C N N 282 
LYS   NZ   N N N 283 
LYS   OXT  O N N 284 
LYS   H    H N N 285 
LYS   H2   H N N 286 
LYS   HA   H N N 287 
LYS   HB2  H N N 288 
LYS   HB3  H N N 289 
LYS   HG2  H N N 290 
LYS   HG3  H N N 291 
LYS   HD2  H N N 292 
LYS   HD3  H N N 293 
LYS   HE2  H N N 294 
LYS   HE3  H N N 295 
LYS   HZ1  H N N 296 
LYS   HZ2  H N N 297 
LYS   HZ3  H N N 298 
LYS   HXT  H N N 299 
MET   N    N N N 300 
MET   CA   C N S 301 
MET   C    C N N 302 
MET   O    O N N 303 
MET   CB   C N N 304 
MET   CG   C N N 305 
MET   SD   S N N 306 
MET   CE   C N N 307 
MET   OXT  O N N 308 
MET   H    H N N 309 
MET   H2   H N N 310 
MET   HA   H N N 311 
MET   HB2  H N N 312 
MET   HB3  H N N 313 
MET   HG2  H N N 314 
MET   HG3  H N N 315 
MET   HE1  H N N 316 
MET   HE2  H N N 317 
MET   HE3  H N N 318 
MET   HXT  H N N 319 
PHE   N    N N N 320 
PHE   CA   C N S 321 
PHE   C    C N N 322 
PHE   O    O N N 323 
PHE   CB   C N N 324 
PHE   CG   C Y N 325 
PHE   CD1  C Y N 326 
PHE   CD2  C Y N 327 
PHE   CE1  C Y N 328 
PHE   CE2  C Y N 329 
PHE   CZ   C Y N 330 
PHE   OXT  O N N 331 
PHE   H    H N N 332 
PHE   H2   H N N 333 
PHE   HA   H N N 334 
PHE   HB2  H N N 335 
PHE   HB3  H N N 336 
PHE   HD1  H N N 337 
PHE   HD2  H N N 338 
PHE   HE1  H N N 339 
PHE   HE2  H N N 340 
PHE   HZ   H N N 341 
PHE   HXT  H N N 342 
PRO   N    N N N 343 
PRO   CA   C N S 344 
PRO   C    C N N 345 
PRO   O    O N N 346 
PRO   CB   C N N 347 
PRO   CG   C N N 348 
PRO   CD   C N N 349 
PRO   OXT  O N N 350 
PRO   H    H N N 351 
PRO   HA   H N N 352 
PRO   HB2  H N N 353 
PRO   HB3  H N N 354 
PRO   HG2  H N N 355 
PRO   HG3  H N N 356 
PRO   HD2  H N N 357 
PRO   HD3  H N N 358 
PRO   HXT  H N N 359 
SER   N    N N N 360 
SER   CA   C N S 361 
SER   C    C N N 362 
SER   O    O N N 363 
SER   CB   C N N 364 
SER   OG   O N N 365 
SER   OXT  O N N 366 
SER   H    H N N 367 
SER   H2   H N N 368 
SER   HA   H N N 369 
SER   HB2  H N N 370 
SER   HB3  H N N 371 
SER   HG   H N N 372 
SER   HXT  H N N 373 
SO4   S    S N N 374 
SO4   O1   O N N 375 
SO4   O2   O N N 376 
SO4   O3   O N N 377 
SO4   O4   O N N 378 
THR   N    N N N 379 
THR   CA   C N S 380 
THR   C    C N N 381 
THR   O    O N N 382 
THR   CB   C N R 383 
THR   OG1  O N N 384 
THR   CG2  C N N 385 
THR   OXT  O N N 386 
THR   H    H N N 387 
THR   H2   H N N 388 
THR   HA   H N N 389 
THR   HB   H N N 390 
THR   HG1  H N N 391 
THR   HG21 H N N 392 
THR   HG22 H N N 393 
THR   HG23 H N N 394 
THR   HXT  H N N 395 
TRP   N    N N N 396 
TRP   CA   C N S 397 
TRP   C    C N N 398 
TRP   O    O N N 399 
TRP   CB   C N N 400 
TRP   CG   C Y N 401 
TRP   CD1  C Y N 402 
TRP   CD2  C Y N 403 
TRP   NE1  N Y N 404 
TRP   CE2  C Y N 405 
TRP   CE3  C Y N 406 
TRP   CZ2  C Y N 407 
TRP   CZ3  C Y N 408 
TRP   CH2  C Y N 409 
TRP   OXT  O N N 410 
TRP   H    H N N 411 
TRP   H2   H N N 412 
TRP   HA   H N N 413 
TRP   HB2  H N N 414 
TRP   HB3  H N N 415 
TRP   HD1  H N N 416 
TRP   HE1  H N N 417 
TRP   HE3  H N N 418 
TRP   HZ2  H N N 419 
TRP   HZ3  H N N 420 
TRP   HH2  H N N 421 
TRP   HXT  H N N 422 
TYR   N    N N N 423 
TYR   CA   C N S 424 
TYR   C    C N N 425 
TYR   O    O N N 426 
TYR   CB   C N N 427 
TYR   CG   C Y N 428 
TYR   CD1  C Y N 429 
TYR   CD2  C Y N 430 
TYR   CE1  C Y N 431 
TYR   CE2  C Y N 432 
TYR   CZ   C Y N 433 
TYR   OH   O N N 434 
TYR   OXT  O N N 435 
TYR   H    H N N 436 
TYR   H2   H N N 437 
TYR   HA   H N N 438 
TYR   HB2  H N N 439 
TYR   HB3  H N N 440 
TYR   HD1  H N N 441 
TYR   HD2  H N N 442 
TYR   HE1  H N N 443 
TYR   HE2  H N N 444 
TYR   HH   H N N 445 
TYR   HXT  H N N 446 
VAL   N    N N N 447 
VAL   CA   C N S 448 
VAL   C    C N N 449 
VAL   O    O N N 450 
VAL   CB   C N N 451 
VAL   CG1  C N N 452 
VAL   CG2  C N N 453 
VAL   OXT  O N N 454 
VAL   H    H N N 455 
VAL   H2   H N N 456 
VAL   HA   H N N 457 
VAL   HB   H N N 458 
VAL   HG11 H N N 459 
VAL   HG12 H N N 460 
VAL   HG13 H N N 461 
VAL   HG21 H N N 462 
VAL   HG22 H N N 463 
VAL   HG23 H N N 464 
VAL   HXT  H N N 465 
# 
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 
A1BFL C1  N1   sing N N 1   
A1BFL N1  C2   sing N N 2   
A1BFL C2  C3   doub Y N 3   
A1BFL C3  C4   sing Y N 4   
A1BFL C4  N2   doub Y N 5   
A1BFL N2  C5   sing Y N 6   
A1BFL C5  C6   doub Y N 7   
A1BFL C1  C7   sing N N 8   
A1BFL C7  C8   sing N N 9   
A1BFL C8  C9   sing N N 10  
A1BFL C9  C10  sing N N 11  
A1BFL C10 O1   sing N N 12  
A1BFL C2  C6   sing Y N 13  
A1BFL C7  O1   sing N N 14  
A1BFL N1  H3   sing N N 15  
A1BFL C4  H5   sing N N 16  
A1BFL C5  H6   sing N N 17  
A1BFL C6  H7   sing N N 18  
A1BFL C7  H8   sing N N 19  
A1BFL C8  H10  sing N N 20  
A1BFL C8  H9   sing N N 21  
A1BFL C10 H14  sing N N 22  
A1BFL C10 H13  sing N N 23  
A1BFL C1  H1   sing N N 24  
A1BFL C1  H2   sing N N 25  
A1BFL C3  H4   sing N N 26  
A1BFL C9  H12  sing N N 27  
A1BFL C9  H11  sing N N 28  
ALA   N   CA   sing N N 29  
ALA   N   H    sing N N 30  
ALA   N   H2   sing N N 31  
ALA   CA  C    sing N N 32  
ALA   CA  CB   sing N N 33  
ALA   CA  HA   sing N N 34  
ALA   C   O    doub N N 35  
ALA   C   OXT  sing N N 36  
ALA   CB  HB1  sing N N 37  
ALA   CB  HB2  sing N N 38  
ALA   CB  HB3  sing N N 39  
ALA   OXT HXT  sing N N 40  
ARG   N   CA   sing N N 41  
ARG   N   H    sing N N 42  
ARG   N   H2   sing N N 43  
ARG   CA  C    sing N N 44  
ARG   CA  CB   sing N N 45  
ARG   CA  HA   sing N N 46  
ARG   C   O    doub N N 47  
ARG   C   OXT  sing N N 48  
ARG   CB  CG   sing N N 49  
ARG   CB  HB2  sing N N 50  
ARG   CB  HB3  sing N N 51  
ARG   CG  CD   sing N N 52  
ARG   CG  HG2  sing N N 53  
ARG   CG  HG3  sing N N 54  
ARG   CD  NE   sing N N 55  
ARG   CD  HD2  sing N N 56  
ARG   CD  HD3  sing N N 57  
ARG   NE  CZ   sing N N 58  
ARG   NE  HE   sing N N 59  
ARG   CZ  NH1  sing N N 60  
ARG   CZ  NH2  doub N N 61  
ARG   NH1 HH11 sing N N 62  
ARG   NH1 HH12 sing N N 63  
ARG   NH2 HH21 sing N N 64  
ARG   NH2 HH22 sing N N 65  
ARG   OXT HXT  sing N N 66  
ASN   N   CA   sing N N 67  
ASN   N   H    sing N N 68  
ASN   N   H2   sing N N 69  
ASN   CA  C    sing N N 70  
ASN   CA  CB   sing N N 71  
ASN   CA  HA   sing N N 72  
ASN   C   O    doub N N 73  
ASN   C   OXT  sing N N 74  
ASN   CB  CG   sing N N 75  
ASN   CB  HB2  sing N N 76  
ASN   CB  HB3  sing N N 77  
ASN   CG  OD1  doub N N 78  
ASN   CG  ND2  sing N N 79  
ASN   ND2 HD21 sing N N 80  
ASN   ND2 HD22 sing N N 81  
ASN   OXT HXT  sing N N 82  
ASP   N   CA   sing N N 83  
ASP   N   H    sing N N 84  
ASP   N   H2   sing N N 85  
ASP   CA  C    sing N N 86  
ASP   CA  CB   sing N N 87  
ASP   CA  HA   sing N N 88  
ASP   C   O    doub N N 89  
ASP   C   OXT  sing N N 90  
ASP   CB  CG   sing N N 91  
ASP   CB  HB2  sing N N 92  
ASP   CB  HB3  sing N N 93  
ASP   CG  OD1  doub N N 94  
ASP   CG  OD2  sing N N 95  
ASP   OD2 HD2  sing N N 96  
ASP   OXT HXT  sing N N 97  
CYS   N   CA   sing N N 98  
CYS   N   H    sing N N 99  
CYS   N   H2   sing N N 100 
CYS   CA  C    sing N N 101 
CYS   CA  CB   sing N N 102 
CYS   CA  HA   sing N N 103 
CYS   C   O    doub N N 104 
CYS   C   OXT  sing N N 105 
CYS   CB  SG   sing N N 106 
CYS   CB  HB2  sing N N 107 
CYS   CB  HB3  sing N N 108 
CYS   SG  HG   sing N N 109 
CYS   OXT HXT  sing N N 110 
EDO   C1  O1   sing N N 111 
EDO   C1  C2   sing N N 112 
EDO   C1  H11  sing N N 113 
EDO   C1  H12  sing N N 114 
EDO   O1  HO1  sing N N 115 
EDO   C2  O2   sing N N 116 
EDO   C2  H21  sing N N 117 
EDO   C2  H22  sing N N 118 
EDO   O2  HO2  sing N N 119 
EPE   N1  C2   sing N N 120 
EPE   N1  C6   sing N N 121 
EPE   N1  C9   sing N N 122 
EPE   C2  C3   sing N N 123 
EPE   C2  H21  sing N N 124 
EPE   C2  H22  sing N N 125 
EPE   C3  N4   sing N N 126 
EPE   C3  H31  sing N N 127 
EPE   C3  H32  sing N N 128 
EPE   N4  C5   sing N N 129 
EPE   N4  C7   sing N N 130 
EPE   C5  C6   sing N N 131 
EPE   C5  H51  sing N N 132 
EPE   C5  H52  sing N N 133 
EPE   C6  H61  sing N N 134 
EPE   C6  H62  sing N N 135 
EPE   C7  C8   sing N N 136 
EPE   C7  H71  sing N N 137 
EPE   C7  H72  sing N N 138 
EPE   C8  O8   sing N N 139 
EPE   C8  H81  sing N N 140 
EPE   C8  H82  sing N N 141 
EPE   O8  HO8  sing N N 142 
EPE   C9  C10  sing N N 143 
EPE   C9  H91  sing N N 144 
EPE   C9  H92  sing N N 145 
EPE   C10 S    sing N N 146 
EPE   C10 H101 sing N N 147 
EPE   C10 H102 sing N N 148 
EPE   S   O1S  doub N N 149 
EPE   S   O2S  doub N N 150 
EPE   S   O3S  sing N N 151 
EPE   O3S HOS3 sing N N 152 
GLN   N   CA   sing N N 153 
GLN   N   H    sing N N 154 
GLN   N   H2   sing N N 155 
GLN   CA  C    sing N N 156 
GLN   CA  CB   sing N N 157 
GLN   CA  HA   sing N N 158 
GLN   C   O    doub N N 159 
GLN   C   OXT  sing N N 160 
GLN   CB  CG   sing N N 161 
GLN   CB  HB2  sing N N 162 
GLN   CB  HB3  sing N N 163 
GLN   CG  CD   sing N N 164 
GLN   CG  HG2  sing N N 165 
GLN   CG  HG3  sing N N 166 
GLN   CD  OE1  doub N N 167 
GLN   CD  NE2  sing N N 168 
GLN   NE2 HE21 sing N N 169 
GLN   NE2 HE22 sing N N 170 
GLN   OXT HXT  sing N N 171 
GLU   N   CA   sing N N 172 
GLU   N   H    sing N N 173 
GLU   N   H2   sing N N 174 
GLU   CA  C    sing N N 175 
GLU   CA  CB   sing N N 176 
GLU   CA  HA   sing N N 177 
GLU   C   O    doub N N 178 
GLU   C   OXT  sing N N 179 
GLU   CB  CG   sing N N 180 
GLU   CB  HB2  sing N N 181 
GLU   CB  HB3  sing N N 182 
GLU   CG  CD   sing N N 183 
GLU   CG  HG2  sing N N 184 
GLU   CG  HG3  sing N N 185 
GLU   CD  OE1  doub N N 186 
GLU   CD  OE2  sing N N 187 
GLU   OE2 HE2  sing N N 188 
GLU   OXT HXT  sing N N 189 
GLY   N   CA   sing N N 190 
GLY   N   H    sing N N 191 
GLY   N   H2   sing N N 192 
GLY   CA  C    sing N N 193 
GLY   CA  HA2  sing N N 194 
GLY   CA  HA3  sing N N 195 
GLY   C   O    doub N N 196 
GLY   C   OXT  sing N N 197 
GLY   OXT HXT  sing N N 198 
HIS   N   CA   sing N N 199 
HIS   N   H    sing N N 200 
HIS   N   H2   sing N N 201 
HIS   CA  C    sing N N 202 
HIS   CA  CB   sing N N 203 
HIS   CA  HA   sing N N 204 
HIS   C   O    doub N N 205 
HIS   C   OXT  sing N N 206 
HIS   CB  CG   sing N N 207 
HIS   CB  HB2  sing N N 208 
HIS   CB  HB3  sing N N 209 
HIS   CG  ND1  sing Y N 210 
HIS   CG  CD2  doub Y N 211 
HIS   ND1 CE1  doub Y N 212 
HIS   ND1 HD1  sing N N 213 
HIS   CD2 NE2  sing Y N 214 
HIS   CD2 HD2  sing N N 215 
HIS   CE1 NE2  sing Y N 216 
HIS   CE1 HE1  sing N N 217 
HIS   NE2 HE2  sing N N 218 
HIS   OXT HXT  sing N N 219 
HOH   O   H1   sing N N 220 
HOH   O   H2   sing N N 221 
ILE   N   CA   sing N N 222 
ILE   N   H    sing N N 223 
ILE   N   H2   sing N N 224 
ILE   CA  C    sing N N 225 
ILE   CA  CB   sing N N 226 
ILE   CA  HA   sing N N 227 
ILE   C   O    doub N N 228 
ILE   C   OXT  sing N N 229 
ILE   CB  CG1  sing N N 230 
ILE   CB  CG2  sing N N 231 
ILE   CB  HB   sing N N 232 
ILE   CG1 CD1  sing N N 233 
ILE   CG1 HG12 sing N N 234 
ILE   CG1 HG13 sing N N 235 
ILE   CG2 HG21 sing N N 236 
ILE   CG2 HG22 sing N N 237 
ILE   CG2 HG23 sing N N 238 
ILE   CD1 HD11 sing N N 239 
ILE   CD1 HD12 sing N N 240 
ILE   CD1 HD13 sing N N 241 
ILE   OXT HXT  sing N N 242 
LEU   N   CA   sing N N 243 
LEU   N   H    sing N N 244 
LEU   N   H2   sing N N 245 
LEU   CA  C    sing N N 246 
LEU   CA  CB   sing N N 247 
LEU   CA  HA   sing N N 248 
LEU   C   O    doub N N 249 
LEU   C   OXT  sing N N 250 
LEU   CB  CG   sing N N 251 
LEU   CB  HB2  sing N N 252 
LEU   CB  HB3  sing N N 253 
LEU   CG  CD1  sing N N 254 
LEU   CG  CD2  sing N N 255 
LEU   CG  HG   sing N N 256 
LEU   CD1 HD11 sing N N 257 
LEU   CD1 HD12 sing N N 258 
LEU   CD1 HD13 sing N N 259 
LEU   CD2 HD21 sing N N 260 
LEU   CD2 HD22 sing N N 261 
LEU   CD2 HD23 sing N N 262 
LEU   OXT HXT  sing N N 263 
LYS   N   CA   sing N N 264 
LYS   N   H    sing N N 265 
LYS   N   H2   sing N N 266 
LYS   CA  C    sing N N 267 
LYS   CA  CB   sing N N 268 
LYS   CA  HA   sing N N 269 
LYS   C   O    doub N N 270 
LYS   C   OXT  sing N N 271 
LYS   CB  CG   sing N N 272 
LYS   CB  HB2  sing N N 273 
LYS   CB  HB3  sing N N 274 
LYS   CG  CD   sing N N 275 
LYS   CG  HG2  sing N N 276 
LYS   CG  HG3  sing N N 277 
LYS   CD  CE   sing N N 278 
LYS   CD  HD2  sing N N 279 
LYS   CD  HD3  sing N N 280 
LYS   CE  NZ   sing N N 281 
LYS   CE  HE2  sing N N 282 
LYS   CE  HE3  sing N N 283 
LYS   NZ  HZ1  sing N N 284 
LYS   NZ  HZ2  sing N N 285 
LYS   NZ  HZ3  sing N N 286 
LYS   OXT HXT  sing N N 287 
MET   N   CA   sing N N 288 
MET   N   H    sing N N 289 
MET   N   H2   sing N N 290 
MET   CA  C    sing N N 291 
MET   CA  CB   sing N N 292 
MET   CA  HA   sing N N 293 
MET   C   O    doub N N 294 
MET   C   OXT  sing N N 295 
MET   CB  CG   sing N N 296 
MET   CB  HB2  sing N N 297 
MET   CB  HB3  sing N N 298 
MET   CG  SD   sing N N 299 
MET   CG  HG2  sing N N 300 
MET   CG  HG3  sing N N 301 
MET   SD  CE   sing N N 302 
MET   CE  HE1  sing N N 303 
MET   CE  HE2  sing N N 304 
MET   CE  HE3  sing N N 305 
MET   OXT HXT  sing N N 306 
PHE   N   CA   sing N N 307 
PHE   N   H    sing N N 308 
PHE   N   H2   sing N N 309 
PHE   CA  C    sing N N 310 
PHE   CA  CB   sing N N 311 
PHE   CA  HA   sing N N 312 
PHE   C   O    doub N N 313 
PHE   C   OXT  sing N N 314 
PHE   CB  CG   sing N N 315 
PHE   CB  HB2  sing N N 316 
PHE   CB  HB3  sing N N 317 
PHE   CG  CD1  doub Y N 318 
PHE   CG  CD2  sing Y N 319 
PHE   CD1 CE1  sing Y N 320 
PHE   CD1 HD1  sing N N 321 
PHE   CD2 CE2  doub Y N 322 
PHE   CD2 HD2  sing N N 323 
PHE   CE1 CZ   doub Y N 324 
PHE   CE1 HE1  sing N N 325 
PHE   CE2 CZ   sing Y N 326 
PHE   CE2 HE2  sing N N 327 
PHE   CZ  HZ   sing N N 328 
PHE   OXT HXT  sing N N 329 
PRO   N   CA   sing N N 330 
PRO   N   CD   sing N N 331 
PRO   N   H    sing N N 332 
PRO   CA  C    sing N N 333 
PRO   CA  CB   sing N N 334 
PRO   CA  HA   sing N N 335 
PRO   C   O    doub N N 336 
PRO   C   OXT  sing N N 337 
PRO   CB  CG   sing N N 338 
PRO   CB  HB2  sing N N 339 
PRO   CB  HB3  sing N N 340 
PRO   CG  CD   sing N N 341 
PRO   CG  HG2  sing N N 342 
PRO   CG  HG3  sing N N 343 
PRO   CD  HD2  sing N N 344 
PRO   CD  HD3  sing N N 345 
PRO   OXT HXT  sing N N 346 
SER   N   CA   sing N N 347 
SER   N   H    sing N N 348 
SER   N   H2   sing N N 349 
SER   CA  C    sing N N 350 
SER   CA  CB   sing N N 351 
SER   CA  HA   sing N N 352 
SER   C   O    doub N N 353 
SER   C   OXT  sing N N 354 
SER   CB  OG   sing N N 355 
SER   CB  HB2  sing N N 356 
SER   CB  HB3  sing N N 357 
SER   OG  HG   sing N N 358 
SER   OXT HXT  sing N N 359 
SO4   S   O1   doub N N 360 
SO4   S   O2   doub N N 361 
SO4   S   O3   sing N N 362 
SO4   S   O4   sing N N 363 
THR   N   CA   sing N N 364 
THR   N   H    sing N N 365 
THR   N   H2   sing N N 366 
THR   CA  C    sing N N 367 
THR   CA  CB   sing N N 368 
THR   CA  HA   sing N N 369 
THR   C   O    doub N N 370 
THR   C   OXT  sing N N 371 
THR   CB  OG1  sing N N 372 
THR   CB  CG2  sing N N 373 
THR   CB  HB   sing N N 374 
THR   OG1 HG1  sing N N 375 
THR   CG2 HG21 sing N N 376 
THR   CG2 HG22 sing N N 377 
THR   CG2 HG23 sing N N 378 
THR   OXT HXT  sing N N 379 
TRP   N   CA   sing N N 380 
TRP   N   H    sing N N 381 
TRP   N   H2   sing N N 382 
TRP   CA  C    sing N N 383 
TRP   CA  CB   sing N N 384 
TRP   CA  HA   sing N N 385 
TRP   C   O    doub N N 386 
TRP   C   OXT  sing N N 387 
TRP   CB  CG   sing N N 388 
TRP   CB  HB2  sing N N 389 
TRP   CB  HB3  sing N N 390 
TRP   CG  CD1  doub Y N 391 
TRP   CG  CD2  sing Y N 392 
TRP   CD1 NE1  sing Y N 393 
TRP   CD1 HD1  sing N N 394 
TRP   CD2 CE2  doub Y N 395 
TRP   CD2 CE3  sing Y N 396 
TRP   NE1 CE2  sing Y N 397 
TRP   NE1 HE1  sing N N 398 
TRP   CE2 CZ2  sing Y N 399 
TRP   CE3 CZ3  doub Y N 400 
TRP   CE3 HE3  sing N N 401 
TRP   CZ2 CH2  doub Y N 402 
TRP   CZ2 HZ2  sing N N 403 
TRP   CZ3 CH2  sing Y N 404 
TRP   CZ3 HZ3  sing N N 405 
TRP   CH2 HH2  sing N N 406 
TRP   OXT HXT  sing N N 407 
TYR   N   CA   sing N N 408 
TYR   N   H    sing N N 409 
TYR   N   H2   sing N N 410 
TYR   CA  C    sing N N 411 
TYR   CA  CB   sing N N 412 
TYR   CA  HA   sing N N 413 
TYR   C   O    doub N N 414 
TYR   C   OXT  sing N N 415 
TYR   CB  CG   sing N N 416 
TYR   CB  HB2  sing N N 417 
TYR   CB  HB3  sing N N 418 
TYR   CG  CD1  doub Y N 419 
TYR   CG  CD2  sing Y N 420 
TYR   CD1 CE1  sing Y N 421 
TYR   CD1 HD1  sing N N 422 
TYR   CD2 CE2  doub Y N 423 
TYR   CD2 HD2  sing N N 424 
TYR   CE1 CZ   doub Y N 425 
TYR   CE1 HE1  sing N N 426 
TYR   CE2 CZ   sing Y N 427 
TYR   CE2 HE2  sing N N 428 
TYR   CZ  OH   sing N N 429 
TYR   OH  HH   sing N N 430 
TYR   OXT HXT  sing N N 431 
VAL   N   CA   sing N N 432 
VAL   N   H    sing N N 433 
VAL   N   H2   sing N N 434 
VAL   CA  C    sing N N 435 
VAL   CA  CB   sing N N 436 
VAL   CA  HA   sing N N 437 
VAL   C   O    doub N N 438 
VAL   C   OXT  sing N N 439 
VAL   CB  CG1  sing N N 440 
VAL   CB  CG2  sing N N 441 
VAL   CB  HB   sing N N 442 
VAL   CG1 HG11 sing N N 443 
VAL   CG1 HG12 sing N N 444 
VAL   CG1 HG13 sing N N 445 
VAL   CG2 HG21 sing N N 446 
VAL   CG2 HG22 sing N N 447 
VAL   CG2 HG23 sing N N 448 
VAL   OXT HXT  sing N N 449 
# 
_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                    7HMR 
_atom_sites.fract_transf_matrix[1][1]   0.010480 
_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]   0.010480 
_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]   0.021837 
_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   ? -13.415 -12.411 -9.875  1.00 46.61 ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.903 -13.205 -11.052 1.00 43.00 ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.743 -12.454 -11.719 1.00 40.80 ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.548 -11.255 -11.407 1.00 41.74 ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -14.044 -13.511 -12.049 1.00 38.13 ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.586 -12.308 -12.747 1.00 34.00 ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -13.954 -11.744 -13.844 1.00 33.36 ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.683 -11.554 -12.516 1.00 31.07 ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.639 -10.689 -14.249 1.00 32.02 ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.701 -10.537 -13.444 1.00 27.30 ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -11.039 -13.115 -12.640 1.00 37.65 ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.870  -12.562 -13.376 1.00 36.89 ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -10.072 -12.690 -14.896 1.00 31.56 ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -9.073  -12.922 -15.605 1.00 33.88 ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.594  -13.233 -12.833 1.00 44.93 ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -8.449  -13.024 -11.359 1.00 52.79 ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -7.996  -11.827 -10.823 1.00 55.21 ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -8.759  -13.815 -10.308 1.00 57.71 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -8.007  -11.902 -9.507  1.00 58.46 ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -8.465  -13.116 -9.166  1.00 60.13 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.307 -12.489 -15.391 1.00 26.56 ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.689 -12.676 -16.819 1.00 22.23 ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.645 -11.337 -17.560 1.00 23.20 ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.796 -11.330 -18.794 1.00 21.05 ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.100 -13.284 -16.955 1.00 22.76 ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.252 -14.639 -16.360 1.00 24.61 ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.362 -15.672 -16.599 1.00 23.46 ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.198 -15.139 -15.533 1.00 24.30 ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.765 -16.752 -15.951 1.00 27.22 ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -13.885 -16.444 -15.298 1.00 27.96 ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.426 -10.231 -16.858 1.00 25.03 ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.557 -8.865  -17.423 1.00 25.20 ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.675 -8.665  -18.662 1.00 24.23 ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.132 -7.969  -19.577 1.00 25.60 ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.282 -7.795  -16.345 1.00 29.86 ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -12.149 -7.932  -15.141 1.00 35.35 ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -11.779 -8.710  -14.048 1.00 40.82 ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.361 -7.404  -14.839 1.00 37.65 ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -12.729 -8.657  -13.125 1.00 40.95 ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -13.717 -7.863  -13.588 1.00 39.22 ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.484  -9.284  -18.741 1.00 22.61 ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.527  -9.122  -19.868 1.00 24.42 ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -9.044  -9.745  -21.171 1.00 21.62 ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.450  -9.510  -22.217 1.00 24.49 ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.150  -9.694  -19.500 1.00 28.34 ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.157  -11.128 -19.099 1.00 27.26 ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.545  -12.115 -19.859 1.00 33.47 ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.635  -11.743 -17.999 1.00 28.10 ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.674  -13.274 -19.253 1.00 27.75 ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.344  -13.079 -18.114 1.00 31.80 ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.104 -10.565 -21.132 1.00 18.56 ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.788 -11.110 -22.339 1.00 16.21 ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -11.896 -10.175 -22.809 1.00 14.70 ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.687 -10.625 -23.641 1.00 14.08 ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.338 -12.494 -22.062 1.00 15.98 ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.273 -13.478 -21.673 1.00 17.38 ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.238  -13.803 -22.535 1.00 18.04 ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.126 -14.205 -20.554 1.00 18.00 ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.456  -14.662 -21.920 1.00 18.47 ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -8.957  -14.929 -20.714 1.00 20.12 ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -11.951 -8.956  -22.296 1.00 14.97 ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -12.995 -7.976  -22.667 1.00 16.64 ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -13.077 -7.851  -24.183 1.00 16.21 ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -12.015 -7.682  -24.897 1.00 19.67 ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.704 -6.599  -22.066 1.00 19.93 ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.736 -5.527  -22.388 1.00 25.49 ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.309 -5.757  -21.500 1.00 37.44 ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -14.857 -5.112  -19.897 1.00 31.64 ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.290 -7.846  -24.715 1.00 14.67 ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.590 -7.610  -26.149 1.00 15.81 ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.573 -6.428  -26.226 1.00 15.94 ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.459 -6.287  -25.359 1.00 15.75 ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.120 -8.859  -26.876 1.00 16.51 ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -14.024 -9.889  -27.075 1.00 19.96 ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.311 -9.506  -26.198 1.00 17.69 ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.474 -5.637  -27.289 1.00 15.60 ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.360 -4.483  -27.557 1.00 15.90 ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.574 -4.980  -28.329 1.00 16.05 ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.448 -5.327  -29.494 1.00 20.04 ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.614 -3.409  -28.349 1.00 17.15 ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.390 -2.145  -28.510 1.00 21.58 ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.488 -1.208  -27.515 1.00 24.60 ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -17.130 -1.699  -29.546 1.00 24.69 ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.230 -0.196  -27.945 1.00 21.96 ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.647 -0.486  -29.188 1.00 27.34 ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.704 -5.118  -27.645 1.00 13.13 ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -19.955 -5.614  -28.265 1.00 12.99 ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.753 -4.413  -28.802 1.00 12.90 ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.816 -3.406  -28.139 1.00 13.33 ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.772 -6.440  -27.245 1.00 12.75 ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -19.975 -7.650  -26.743 1.00 13.31 ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.102 -6.848  -27.852 1.00 12.86 ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.403 -8.548  -27.815 1.00 13.80 ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.372 -4.609  -29.945 1.00 12.48 ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.343 -3.620  -30.493 1.00 13.54 ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.591 -4.382  -30.896 1.00 13.40 ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.548 -5.598  -31.164 1.00 14.89 ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.748 -2.822  -31.660 1.00 15.71 ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.390 -3.724  -32.698 1.00 17.97 ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.582 -1.932  -31.264 1.00 17.44 ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.731 -3.681  -30.875 1.00 11.91 ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -26.032 -4.327  -31.158 1.00 12.01 ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.305 -4.320  -32.655 1.00 12.03 ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -25.970 -3.309  -33.335 1.00 13.89 ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.095 -3.562  -30.392 1.00 11.85 ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -26.901 -3.649  -28.890 1.00 11.69 ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.911 -2.754  -28.172 1.00 14.16 ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -26.968 -5.100  -28.370 1.00 14.03 ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -26.903 -5.353  -33.166 1.00 10.85 ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.273 -5.526  -34.582 1.00 11.41 ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.772 -5.150  -34.745 1.00 12.26 ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.649 -5.954  -34.469 1.00 11.76 ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -27.010 -6.953  -35.055 1.00 12.16 ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.316 -7.231  -36.515 1.00 14.93 ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -27.950 -6.351  -37.143 1.00 15.25 ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -27.030 -8.339  -37.017 1.00 15.65 ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -28.994 -3.914  -35.224 0.25 13.59 ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -29.012 -3.920  -35.221 0.25 14.11 ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.323 -3.299  -35.513 0.25 14.62 ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.368 -3.336  -35.420 0.25 15.37 ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.221 -4.253  -36.287 0.25 14.17 ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.235 -4.250  -36.290 0.25 14.67 ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.440 -4.258  -36.043 0.25 13.63 ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.459 -4.263  -36.086 0.25 14.02 ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.169 -2.050  -36.396 0.25 16.01 ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.276 -1.949  -36.079 0.25 18.02 ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.293 -0.973  -35.781 0.25 18.09 ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.768 -0.844  -35.163 0.25 20.42 ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.180 0.274   -36.644 0.25 18.40 ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.375 -0.341  -35.520 0.25 23.67 ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.652 1.349   -35.827 0.25 18.92 ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -28.319 0.684   -36.567 0.25 25.11 ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.361 1.928   -34.881 0.25 18.54 ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.872 0.491   -37.810 0.25 27.86 ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.608 1.547   -34.700 0.25 20.12 ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.437 -0.694  -38.201 0.25 28.94 ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.842 2.875   -34.129 0.25 19.60 ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.865 1.492   -38.671 0.25 29.77 ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.652 -4.978  -37.245 1.00 13.40 ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.439 -5.828  -38.153 1.00 14.91 ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.123 -6.980  -37.429 1.00 13.39 ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.106 -7.489  -37.928 1.00 13.18 ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.588 -6.300  -39.341 1.00 18.90 ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.347 -5.190  -40.350 1.00 25.22 ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.079 -4.201  -40.386 1.00 31.90 ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.289 -5.329  -41.130 1.00 36.34 ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.587 -7.396  -36.255 1.00 11.20 ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.133 -8.514  -35.483 1.00 10.58 ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.185 -8.036  -34.479 1.00 10.07 ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.868 -8.867  -33.878 1.00 10.75 ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -31.038 -9.305  -34.749 1.00 11.21 ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.482 -8.517  -33.705 1.00 11.46 ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -29.991 -9.848  -35.711 1.00 12.33 ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.258 -6.746  -34.268 1.00 10.40 ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.074 -6.197  -33.159 1.00 10.43 ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.564 -6.400  -33.409 1.00 10.15 ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -36.066 -6.129  -34.540 1.00 11.77 ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.769 -4.745  -32.976 1.00 11.19 ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.310 -6.707  -32.393 1.00 10.08 ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.775 -6.514  -32.439 1.00 10.17 ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -38.047 -5.076  -32.907 1.00 9.97  ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.354 -4.131  -32.548 1.00 9.71  ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.330 -6.820  -31.063 1.00 11.17 ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.802 -6.541  -30.996 1.00 12.22 ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.238 -5.423  -30.710 1.00 12.57 ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.566 -7.527  -31.379 1.00 15.42 ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.126 -4.915  -33.661 1.00 10.34 ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.495 -3.635  -34.302 1.00 10.44 ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -39.888 -2.567  -33.300 1.00 10.82 ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -39.963 -1.399  -33.786 1.00 11.49 ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.643 -3.849  -35.267 1.00 11.95 ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.755 -4.332  -34.537 1.00 13.91 ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.083 -2.817  -32.025 1.00 9.42  ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.380 -1.765  -31.036 1.00 10.40 ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.124 -1.259  -30.324 1.00 10.19 ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.240 -0.355  -29.502 1.00 11.01 ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.374 -2.300  -30.030 1.00 10.72 ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.783 -2.388  -30.555 1.00 11.39 ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.193 -2.908  -31.741 1.00 11.16 ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -43.943 -1.940  -29.866 1.00 12.99 ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.565 -2.806  -31.826 1.00 13.70 ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -45.035 -2.247  -30.692 1.00 13.36 ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.164 -1.323  -28.636 1.00 14.51 ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.357 -1.950  -30.308 1.00 16.64 ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.470 -1.048  -28.245 1.00 17.47 ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.543 -1.388  -29.064 1.00 19.10 ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -37.951 -1.870  -30.600 1.00 9.95  ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.729 -1.464  -29.859 1.00 10.68 ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.122 -0.218  -30.498 1.00 10.38 ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.121 -0.034  -31.699 1.00 11.64 ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.701 -2.598  -29.854 1.00 10.05 ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.160 -3.859  -29.144 1.00 10.41 ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -35.054 -4.887  -29.142 1.00 10.53 ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.602 -3.617  -27.739 1.00 11.53 ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.502 0.550   -29.640 1.00 10.57 ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.696 1.738   -30.016 1.00 11.95 ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.258 1.500   -29.577 1.00 12.45 ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -32.991 1.413   -28.354 1.00 11.96 ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.248 2.988   -29.374 1.00 12.21 ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.721 3.259   -29.775 1.00 12.97 ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.377 4.205   -29.739 1.00 14.81 ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.373 4.337   -29.023 1.00 14.62 ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.402 1.388   -30.576 1.00 14.37 ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -30.937 1.206   -30.360 1.00 14.30 ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.224 2.527   -30.543 1.00 15.09 ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.503 3.288   -31.535 1.00 16.36 ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.423 0.138   -31.291 1.00 15.62 ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -30.994 -1.193  -30.854 1.00 18.81 ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -28.890 0.053   -31.307 1.00 15.55 ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -30.789 -2.202  -31.782 1.00 20.57 ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.384 2.916   -29.626 1.00 14.92 ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.680 4.210   -29.665 1.00 15.71 ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.738 4.293   -30.880 1.00 13.82 ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.371 3.318   -31.454 1.00 13.47 ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -27.968 4.402   -28.395 1.00 15.75 ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -26.997 3.365   -28.225 1.00 15.47 ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.378 5.533   -31.238 1.00 17.21 ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.457 5.813   -32.368 1.00 17.24 ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.169 4.991   -32.243 1.00 15.55 ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.716 4.479   -33.257 1.00 17.43 ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.108 7.309   -32.399 1.00 19.73 ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.188 7.685   -33.539 1.00 21.81 ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.343 9.123   -33.902 1.00 23.34 ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -25.192 9.972   -32.675 1.00 28.38 ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.236 11.377  -33.086 1.00 29.87 ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.599 4.923   -31.042 1.00 15.86 ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.332 4.161   -30.834 1.00 15.23 ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.572 2.640   -30.829 1.00 13.60 ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.570 1.903   -30.724 1.00 14.32 ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.583 4.627   -29.591 1.00 17.08 ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.264 4.398   -28.259 1.00 17.25 ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.362 3.759   -28.263 1.00 17.18 ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.660 4.809   -27.248 1.00 19.71 ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -24.801 2.153   -30.940 1.00 12.57 ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.151 0.719   -30.924 1.00 13.15 ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.717 0.068   -29.602 1.00 10.73 ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.554 -1.176  -29.595 1.00 11.83 ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.618 0.028   -32.178 1.00 16.29 ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.228 0.611   -33.450 1.00 20.62 ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.839 -0.037  -34.741 1.00 27.01 ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.410 -0.183  -34.911 1.00 33.74 ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.708 -1.321  -34.804 1.00 44.03 ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.284 -2.495  -34.528 1.00 41.34 ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.397 -1.271  -34.995 1.00 48.87 ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.686 0.797   -28.551 1.00 10.00 ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.297 0.264   -27.229 1.00 11.45 ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.442 0.232   -26.228 1.00 11.28 ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.267 -0.315  -25.131 1.00 12.71 ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.119 1.054   -26.637 1.00 11.81 ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -21.854 0.988   -27.486 1.00 13.36 ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -21.014 -0.242  -27.245 1.00 15.12 ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.265 -0.073  -26.000 1.00 16.02 ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.533 -1.022  -25.403 1.00 15.67 ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.456 -2.204  -25.954 1.00 15.86 ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -18.894 -0.749  -24.288 1.00 17.86 ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.586 0.844   -26.516 1.00 11.25 ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.759 0.854   -25.631 1.00 11.89 ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -29.014 0.450   -26.385 1.00 10.79 ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.142 0.732   -27.605 1.00 11.70 ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -27.985 2.258   -25.062 1.00 13.95 ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.739 2.876   -24.478 1.00 16.32 ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -27.076 4.109   -23.669 1.00 20.07 ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.234 4.360   -23.302 1.00 22.36 ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -26.068 4.915   -23.404 1.00 23.81 ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -29.959 -0.137  -25.674 1.00 10.35 ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.247 -0.537  -26.284 1.00 10.66 ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.332 -0.374  -25.232 1.00 10.67 ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.155 -0.727  -24.070 1.00 10.21 ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.189 -1.946  -26.871 1.00 10.08 ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.773 -3.012  -25.854 1.00 9.78  ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.513 -2.314  -27.523 1.00 10.73 ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.470 0.156   -25.660 1.00 10.63 ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.663 0.232   -24.795 1.00 11.05 ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -35.922 -0.056  -25.625 1.00 10.72 ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -35.926 0.024   -26.829 1.00 10.35 ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.780 1.591   -24.114 1.00 12.54 ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -35.022 2.727   -25.080 1.00 14.43 ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -34.971 4.050   -24.334 1.00 17.29 ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.261 5.161   -25.228 1.00 21.98 ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.459 5.655   -25.477 1.00 19.45 ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.543 5.146   -24.937 1.00 22.65 ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.550 6.692   -26.311 1.00 25.15 ? 38  ARG   B NH2 1 
ATOM   283  N N   A MET   A 1 33  ? -36.967 -0.352  -24.858 0.27 10.86 ? 39  MET   B N   1 
ATOM   284  N N   B MET   A 1 33  ? -36.992 -0.501  -24.964 0.18 11.69 ? 39  MET   B N   1 
ATOM   285  C CA  A MET   A 1 33  ? -38.340 -0.585  -25.365 0.27 11.69 ? 39  MET   B CA  1 
ATOM   286  C CA  B MET   A 1 33  ? -38.278 -0.770  -25.673 0.18 12.59 ? 39  MET   B CA  1 
ATOM   287  C C   A MET   A 1 33  ? -38.969 0.764   -25.760 0.27 11.34 ? 39  MET   B C   1 
ATOM   288  C C   B MET   A 1 33  ? -39.063 0.539   -25.757 0.18 12.16 ? 39  MET   B C   1 
ATOM   289  O O   A MET   A 1 33  ? -39.010 1.687   -24.960 0.27 12.16 ? 39  MET   B O   1 
ATOM   290  O O   B MET   A 1 33  ? -39.372 1.110   -24.665 0.18 11.70 ? 39  MET   B O   1 
ATOM   291  C CB  A MET   A 1 33  ? -39.165 -1.299  -24.287 0.27 12.55 ? 39  MET   B CB  1 
ATOM   292  C CB  B MET   A 1 33  ? -39.158 -1.833  -25.003 0.18 14.39 ? 39  MET   B CB  1 
ATOM   293  C CG  A MET   A 1 33  ? -40.542 -1.790  -24.753 0.27 14.51 ? 39  MET   B CG  1 
ATOM   294  C CG  B MET   A 1 33  ? -40.516 -2.065  -25.733 0.18 15.64 ? 39  MET   B CG  1 
ATOM   295  S SD  A MET   A 1 33  ? -40.462 -2.884  -26.231 0.27 17.50 ? 39  MET   B SD  1 
ATOM   296  S SD  B MET   A 1 33  ? -41.281 -3.586  -25.133 0.18 17.17 ? 39  MET   B SD  1 
ATOM   297  C CE  A MET   A 1 33  ? -42.077 -3.651  -26.247 0.27 17.17 ? 39  MET   B CE  1 
ATOM   298  C CE  B MET   A 1 33  ? -42.789 -3.553  -26.101 0.18 18.30 ? 39  MET   B CE  1 
ATOM   299  N N   . GLY   A 1 34  ? -39.350 0.918   -27.012 1.00 12.19 ? 40  GLY   B N   1 
ATOM   300  C CA  . GLY   A 1 34  ? -40.166 2.091   -27.393 1.00 13.70 ? 40  GLY   B CA  1 
ATOM   301  C C   . GLY   A 1 34  ? -41.625 1.904   -27.004 1.00 14.84 ? 40  GLY   B C   1 
ATOM   302  O O   . GLY   A 1 34  ? -42.028 0.848   -26.560 1.00 14.80 ? 40  GLY   B O   1 
ATOM   303  N N   . ASP   A 1 35  ? -42.404 3.004   -27.078 1.00 18.19 ? 41  ASP   B N   1 
ATOM   304  C CA  . ASP   A 1 35  ? -43.849 2.910   -26.682 1.00 19.78 ? 41  ASP   B CA  1 
ATOM   305  C C   . ASP   A 1 35  ? -44.683 2.533   -27.928 1.00 18.41 ? 41  ASP   B C   1 
ATOM   306  O O   . ASP   A 1 35  ? -45.911 2.339   -27.742 1.00 18.83 ? 41  ASP   B O   1 
ATOM   307  C CB  . ASP   A 1 35  ? -44.319 4.148   -25.878 1.00 25.90 ? 41  ASP   B CB  1 
ATOM   308  C CG  . ASP   A 1 35  ? -43.840 4.235   -24.416 1.00 34.17 ? 41  ASP   B CG  1 
ATOM   309  O OD1 . ASP   A 1 35  ? -43.627 3.169   -23.772 1.00 37.94 ? 41  ASP   B OD1 1 
ATOM   310  O OD2 . ASP   A 1 35  ? -43.730 5.369   -23.887 1.00 36.51 ? 41  ASP   B OD2 1 
ATOM   311  N N   . THR   A 1 36  ? -44.089 2.323   -29.091 1.00 14.31 ? 42  THR   B N   1 
ATOM   312  C CA  . THR   A 1 36  ? -44.788 1.925   -30.356 1.00 15.38 ? 42  THR   B CA  1 
ATOM   313  C C   . THR   A 1 36  ? -43.824 1.237   -31.318 1.00 13.04 ? 42  THR   B C   1 
ATOM   314  O O   . THR   A 1 36  ? -42.529 1.262   -31.108 1.00 11.78 ? 42  THR   B O   1 
ATOM   315  C CB  . THR   A 1 36  ? -45.394 3.186   -30.990 1.00 17.89 ? 42  THR   B CB  1 
ATOM   316  O OG1 . THR   A 1 36  ? -46.287 2.841   -32.024 1.00 22.60 ? 42  THR   B OG1 1 
ATOM   317  C CG2 . THR   A 1 36  ? -44.331 4.093   -31.566 1.00 20.82 ? 42  THR   B CG2 1 
ATOM   318  N N   . HIS   A 1 37  ? -44.312 0.770   -32.455 1.00 13.02 ? 43  HIS   B N   1 
ATOM   319  C CA  . HIS   A 1 37  ? -43.481 0.287   -33.566 1.00 12.34 ? 43  HIS   B CA  1 
ATOM   320  C C   . HIS   A 1 37  ? -42.542 1.393   -34.008 1.00 13.27 ? 43  HIS   B C   1 
ATOM   321  O O   . HIS   A 1 37  ? -43.001 2.567   -34.179 1.00 13.64 ? 43  HIS   B O   1 
ATOM   322  C CB  . HIS   A 1 37  ? -44.417 -0.199  -34.673 1.00 11.60 ? 43  HIS   B CB  1 
ATOM   323  C CG  . HIS   A 1 37  ? -43.800 -0.854  -35.835 1.00 11.30 ? 43  HIS   B CG  1 
ATOM   324  N ND1 . HIS   A 1 37  ? -43.018 -0.209  -36.775 1.00 11.65 ? 43  HIS   B ND1 1 
ATOM   325  C CD2 . HIS   A 1 37  ? -43.927 -2.135  -36.290 1.00 11.25 ? 43  HIS   B CD2 1 
ATOM   326  C CE1 . HIS   A 1 37  ? -42.689 -1.048  -37.730 1.00 11.49 ? 43  HIS   B CE1 1 
ATOM   327  N NE2 . HIS   A 1 37  ? -43.241 -2.279  -37.444 1.00 11.59 ? 43  HIS   B NE2 1 
ATOM   328  N N   . GLN   A 1 38  ? -41.275 1.078   -34.249 1.00 11.47 ? 44  GLN   B N   1 
ATOM   329  C CA  . GLN   A 1 38  ? -40.248 2.100   -34.525 1.00 11.55 ? 44  GLN   B CA  1 
ATOM   330  C C   . GLN   A 1 38  ? -40.081 2.360   -36.024 1.00 13.00 ? 44  GLN   B C   1 
ATOM   331  O O   . GLN   A 1 38  ? -39.057 2.962   -36.430 1.00 14.16 ? 44  GLN   B O   1 
ATOM   332  C CB  . GLN   A 1 38  ? -38.925 1.733   -33.829 1.00 11.85 ? 44  GLN   B CB  1 
ATOM   333  C CG  . GLN   A 1 38  ? -39.067 1.797   -32.339 1.00 12.65 ? 44  GLN   B CG  1 
ATOM   334  C CD  . GLN   A 1 38  ? -39.546 3.127   -31.818 1.00 12.48 ? 44  GLN   B CD  1 
ATOM   335  O OE1 . GLN   A 1 38  ? -40.504 3.251   -31.037 1.00 15.76 ? 44  GLN   B OE1 1 
ATOM   336  N NE2 . GLN   A 1 38  ? -38.904 4.187   -32.288 1.00 11.76 ? 44  GLN   B NE2 1 
ATOM   337  N N   . ASN   A 1 39  ? -41.041 1.958   -36.850 1.00 12.34 ? 45  ASN   B N   1 
ATOM   338  C CA  . ASN   A 1 39  ? -41.123 2.421   -38.265 1.00 11.86 ? 45  ASN   B CA  1 
ATOM   339  C C   . ASN   A 1 39  ? -40.018 1.824   -39.103 1.00 12.62 ? 45  ASN   B C   1 
ATOM   340  O O   . ASN   A 1 39  ? -39.582 2.426   -40.076 1.00 14.34 ? 45  ASN   B O   1 
ATOM   341  C CB  . ASN   A 1 39  ? -41.122 3.961   -38.406 1.00 11.87 ? 45  ASN   B CB  1 
ATOM   342  C CG  . ASN   A 1 39  ? -41.804 4.395   -39.691 1.00 11.44 ? 45  ASN   B CG  1 
ATOM   343  O OD1 . ASN   A 1 39  ? -42.693 3.737   -40.227 1.00 10.96 ? 45  ASN   B OD1 1 
ATOM   344  N ND2 . ASN   A 1 39  ? -41.356 5.533   -40.225 1.00 11.80 ? 45  ASN   B ND2 1 
ATOM   345  N N   . VAL   A 1 40  ? -39.641 0.576   -38.820 1.00 15.09 ? 46  VAL   B N   1 
ATOM   346  C CA  . VAL   A 1 40  ? -38.672 -0.250  -39.593 1.00 15.66 ? 46  VAL   B CA  1 
ATOM   347  C C   . VAL   A 1 40  ? -39.431 -1.291  -40.445 1.00 14.78 ? 46  VAL   B C   1 
ATOM   348  O O   . VAL   A 1 40  ? -40.499 -1.721  -40.030 1.00 14.16 ? 46  VAL   B O   1 
ATOM   349  C CB  . VAL   A 1 40  ? -37.649 -0.928  -38.637 1.00 16.94 ? 46  VAL   B CB  1 
ATOM   350  C CG1 . VAL   A 1 40  ? -36.750 0.093   -37.960 1.00 18.96 ? 46  VAL   B CG1 1 
ATOM   351  C CG2 . VAL   A 1 40  ? -38.289 -1.834  -37.595 1.00 17.44 ? 46  VAL   B CG2 1 
ATOM   352  N N   . SER   A 1 41  ? -38.874 -1.749  -41.562 1.00 15.68 ? 47  SER   B N   1 
ATOM   353  C CA  . SER   A 1 41  ? -39.438 -2.864  -42.344 1.00 16.24 ? 47  SER   B CA  1 
ATOM   354  C C   . SER   A 1 41  ? -39.252 -4.179  -41.597 1.00 14.24 ? 47  SER   B C   1 
ATOM   355  O O   . SER   A 1 41  ? -38.259 -4.319  -40.801 1.00 14.87 ? 47  SER   B O   1 
ATOM   356  C CB  . SER   A 1 41  ? -38.812 -2.948  -43.722 1.00 18.24 ? 47  SER   B CB  1 
ATOM   357  O OG  . SER   A 1 41  ? -37.404 -3.109  -43.627 1.00 21.23 ? 47  SER   B OG  1 
ATOM   358  N N   . ASP   A 1 42  ? -40.066 -5.171  -41.867 1.00 15.08 ? 48  ASP   B N   1 
ATOM   359  C CA  . ASP   A 1 42  ? -39.904 -6.513  -41.282 1.00 14.99 ? 48  ASP   B CA  1 
ATOM   360  C C   . ASP   A 1 42  ? -38.831 -7.271  -42.054 1.00 15.97 ? 48  ASP   B C   1 
ATOM   361  O O   . ASP   A 1 42  ? -38.537 -6.938  -43.239 1.00 16.69 ? 48  ASP   B O   1 
ATOM   362  C CB  . ASP   A 1 42  ? -41.244 -7.226  -41.247 1.00 15.98 ? 48  ASP   B CB  1 
ATOM   363  C CG  . ASP   A 1 42  ? -41.120 -8.502  -40.465 1.00 19.55 ? 48  ASP   B CG  1 
ATOM   364  O OD1 . ASP   A 1 42  ? -40.436 -8.497  -39.368 1.00 16.97 ? 48  ASP   B OD1 1 
ATOM   365  O OD2 . ASP   A 1 42  ? -41.535 -9.524  -41.073 1.00 23.75 ? 48  ASP   B OD2 1 
ATOM   366  N N   . ASN   A 1 43  ? -38.203 -8.257  -41.409 1.00 14.65 ? 49  ASN   B N   1 
ATOM   367  C CA  . ASN   A 1 43  ? -37.212 -9.131  -42.075 1.00 15.64 ? 49  ASN   B CA  1 
ATOM   368  C C   . ASN   A 1 43  ? -37.131 -10.415 -41.265 1.00 15.81 ? 49  ASN   B C   1 
ATOM   369  O O   . ASN   A 1 43  ? -37.707 -10.499 -40.144 1.00 16.14 ? 49  ASN   B O   1 
ATOM   370  C CB  . ASN   A 1 43  ? -35.886 -8.428  -42.250 1.00 15.18 ? 49  ASN   B CB  1 
ATOM   371  C CG  . ASN   A 1 43  ? -35.135 -8.248  -40.947 1.00 15.58 ? 49  ASN   B CG  1 
ATOM   372  O OD1 . ASN   A 1 43  ? -34.984 -9.216  -40.192 1.00 17.73 ? 49  ASN   B OD1 1 
ATOM   373  N ND2 . ASN   A 1 43  ? -34.680 -7.085  -40.634 1.00 15.12 ? 49  ASN   B ND2 1 
ATOM   374  N N   . LYS   A 1 44  ? -36.542 -11.447 -41.840 1.00 16.60 ? 50  LYS   B N   1 
ATOM   375  C CA  . LYS   A 1 44  ? -36.571 -12.801 -41.244 1.00 17.54 ? 50  LYS   B CA  1 
ATOM   376  C C   . LYS   A 1 44  ? -35.668 -12.864 -39.996 1.00 14.90 ? 50  LYS   B C   1 
ATOM   377  O O   . LYS   A 1 44  ? -35.852 -13.810 -39.227 1.00 16.65 ? 50  LYS   B O   1 
ATOM   378  C CB  . LYS   A 1 44  ? -36.077 -13.831 -42.265 1.00 21.47 ? 50  LYS   B CB  1 
ATOM   379  C CG  . LYS   A 1 44  ? -34.651 -13.594 -42.713 1.00 25.85 ? 50  LYS   B CG  1 
ATOM   380  C CD  . LYS   A 1 44  ? -34.277 -14.317 -43.987 1.00 34.05 ? 50  LYS   B CD  1 
ATOM   381  C CE  . LYS   A 1 44  ? -32.798 -14.623 -44.051 1.00 38.02 ? 50  LYS   B CE  1 
ATOM   382  N NZ  . LYS   A 1 44  ? -32.572 -15.946 -44.678 1.00 43.00 ? 50  LYS   B NZ  1 
ATOM   383  N N   . GLU   A 1 45  ? -34.781 -11.914 -39.821 1.00 14.18 ? 51  GLU   B N   1 
ATOM   384  C CA  . GLU   A 1 45  ? -33.872 -11.909 -38.633 1.00 14.30 ? 51  GLU   B CA  1 
ATOM   385  C C   . GLU   A 1 45  ? -34.555 -11.346 -37.374 1.00 13.92 ? 51  GLU   B C   1 
ATOM   386  O O   . GLU   A 1 45  ? -34.099 -11.674 -36.234 1.00 14.25 ? 51  GLU   B O   1 
ATOM   387  C CB  . GLU   A 1 45  ? -32.632 -11.080 -38.896 1.00 16.18 ? 51  GLU   B CB  1 
ATOM   388  C CG  . GLU   A 1 45  ? -31.780 -11.497 -40.097 1.00 20.14 ? 51  GLU   B CG  1 
ATOM   389  C CD  . GLU   A 1 45  ? -30.603 -10.542 -40.256 1.00 26.41 ? 51  GLU   B CD  1 
ATOM   390  O OE1 . GLU   A 1 45  ? -30.578 -9.767  -41.256 1.00 33.36 ? 51  GLU   B OE1 1 
ATOM   391  O OE2 . GLU   A 1 45  ? -29.726 -10.513 -39.374 1.00 29.60 ? 51  GLU   B OE2 1 
ATOM   392  N N   . ARG   A 1 46  ? -35.594 -10.512 -37.468 1.00 12.54 ? 52  ARG   B N   1 
ATOM   393  C CA  . ARG   A 1 46  ? -36.149 -9.840  -36.261 1.00 11.62 ? 52  ARG   B CA  1 
ATOM   394  C C   . ARG   A 1 46  ? -36.853 -10.809 -35.349 1.00 11.66 ? 52  ARG   B C   1 
ATOM   395  O O   . ARG   A 1 46  ? -37.687 -11.606 -35.747 1.00 12.48 ? 52  ARG   B O   1 
ATOM   396  C CB  . ARG   A 1 46  ? -37.153 -8.760  -36.664 1.00 11.35 ? 52  ARG   B CB  1 
ATOM   397  C CG  . ARG   A 1 46  ? -36.582 -7.651  -37.511 1.00 12.32 ? 52  ARG   B CG  1 
ATOM   398  C CD  . ARG   A 1 46  ? -37.485 -6.375  -37.452 1.00 12.13 ? 52  ARG   B CD  1 
ATOM   399  N NE  . ARG   A 1 46  ? -36.974 -5.345  -38.330 1.00 13.84 ? 52  ARG   B NE  1 
ATOM   400  C CZ  . ARG   A 1 46  ? -35.893 -4.609  -38.114 1.00 13.21 ? 52  ARG   B CZ  1 
ATOM   401  N NH1 . ARG   A 1 46  ? -35.281 -4.641  -36.932 1.00 12.74 ? 52  ARG   B NH1 1 
ATOM   402  N NH2 . ARG   A 1 46  ? -35.420 -3.788  -39.055 1.00 15.44 ? 52  ARG   B NH2 1 
ATOM   403  N N   . PHE   A 1 47  ? -36.577 -10.697 -34.062 1.00 10.81 ? 53  PHE   B N   1 
ATOM   404  C CA  . PHE   A 1 47  ? -37.378 -11.400 -33.059 1.00 10.38 ? 53  PHE   B CA  1 
ATOM   405  C C   . PHE   A 1 47  ? -38.789 -10.790 -33.057 1.00 11.98 ? 53  PHE   B C   1 
ATOM   406  O O   . PHE   A 1 47  ? -38.961 -9.602  -32.792 1.00 12.45 ? 53  PHE   B O   1 
ATOM   407  C CB  . PHE   A 1 47  ? -36.773 -11.277 -31.674 1.00 9.46  ? 53  PHE   B CB  1 
ATOM   408  C CG  . PHE   A 1 47  ? -35.543 -12.139 -31.512 1.00 9.61  ? 53  PHE   B CG  1 
ATOM   409  C CD1 . PHE   A 1 47  ? -35.661 -13.494 -31.256 1.00 10.12 ? 53  PHE   B CD1 1 
ATOM   410  C CD2 . PHE   A 1 47  ? -34.269 -11.609 -31.589 1.00 10.56 ? 53  PHE   B CD2 1 
ATOM   411  C CE1 . PHE   A 1 47  ? -34.531 -14.306 -31.112 1.00 10.59 ? 53  PHE   B CE1 1 
ATOM   412  C CE2 . PHE   A 1 47  ? -33.130 -12.423 -31.423 1.00 10.75 ? 53  PHE   B CE2 1 
ATOM   413  C CZ  . PHE   A 1 47  ? -33.290 -13.766 -31.185 1.00 9.89  ? 53  PHE   B CZ  1 
ATOM   414  N N   . SER   A 1 48  ? -39.810 -11.582 -33.303 1.00 12.47 ? 54  SER   B N   1 
ATOM   415  C CA  . SER   A 1 48  ? -41.203 -11.066 -33.504 1.00 13.14 ? 54  SER   B CA  1 
ATOM   416  C C   . SER   A 1 48  ? -41.961 -10.967 -32.198 1.00 13.69 ? 54  SER   B C   1 
ATOM   417  O O   . SER   A 1 48  ? -42.781 -10.015 -32.048 1.00 15.51 ? 54  SER   B O   1 
ATOM   418  C CB  . SER   A 1 48  ? -41.951 -11.947 -34.514 1.00 14.30 ? 54  SER   B CB  1 
ATOM   419  O OG  . SER   A 1 48  ? -42.111 -13.276 -34.057 1.00 14.56 ? 54  SER   B OG  1 
ATOM   420  N N   . ASN   A 1 49  ? -41.834 -11.883 -31.276 1.00 12.73 ? 55  ASN   B N   1 
ATOM   421  C CA  . ASN   A 1 49  ? -42.774 -12.032 -30.142 1.00 13.39 ? 55  ASN   B CA  1 
ATOM   422  C C   . ASN   A 1 49  ? -42.277 -11.371 -28.863 1.00 12.03 ? 55  ASN   B C   1 
ATOM   423  O O   . ASN   A 1 49  ? -43.047 -11.234 -27.913 1.00 13.57 ? 55  ASN   B O   1 
ATOM   424  C CB  . ASN   A 1 49  ? -43.081 -13.491 -29.818 1.00 15.47 ? 55  ASN   B CB  1 
ATOM   425  C CG  . ASN   A 1 49  ? -43.992 -14.190 -30.827 1.00 16.72 ? 55  ASN   B CG  1 
ATOM   426  O OD1 . ASN   A 1 49  ? -43.812 -14.054 -32.033 1.00 19.26 ? 55  ASN   B OD1 1 
ATOM   427  N ND2 . ASN   A 1 49  ? -44.971 -14.924 -30.317 1.00 21.81 ? 55  ASN   B ND2 1 
ATOM   428  N N   . TYR   A 1 50  ? -40.976 -11.053 -28.777 1.00 11.05 ? 56  TYR   B N   1 
ATOM   429  C CA  . TYR   A 1 50  ? -40.351 -10.563 -27.519 1.00 10.70 ? 56  TYR   B CA  1 
ATOM   430  C C   . TYR   A 1 50  ? -39.407 -9.414  -27.834 1.00 9.78  ? 56  TYR   B C   1 
ATOM   431  O O   . TYR   A 1 50  ? -38.900 -9.333  -28.940 1.00 10.52 ? 56  TYR   B O   1 
ATOM   432  C CB  . TYR   A 1 50  ? -39.568 -11.700 -26.851 1.00 10.93 ? 56  TYR   B CB  1 
ATOM   433  C CG  . TYR   A 1 50  ? -40.284 -13.026 -26.745 1.00 11.46 ? 56  TYR   B CG  1 
ATOM   434  C CD1 . TYR   A 1 50  ? -41.278 -13.220 -25.790 1.00 14.03 ? 56  TYR   B CD1 1 
ATOM   435  C CD2 . TYR   A 1 50  ? -39.985 -14.098 -27.577 1.00 12.47 ? 56  TYR   B CD2 1 
ATOM   436  C CE1 . TYR   A 1 50  ? -41.934 -14.447 -25.668 1.00 15.07 ? 56  TYR   B CE1 1 
ATOM   437  C CE2 . TYR   A 1 50  ? -40.684 -15.291 -27.518 1.00 12.75 ? 56  TYR   B CE2 1 
ATOM   438  C CZ  . TYR   A 1 50  ? -41.641 -15.475 -26.542 1.00 13.49 ? 56  TYR   B CZ  1 
ATOM   439  O OH  . TYR   A 1 50  ? -42.247 -16.697 -26.471 1.00 14.81 ? 56  TYR   B OH  1 
ATOM   440  N N   . PRO   A 1 51  ? -39.092 -8.549  -26.847 1.00 9.80  ? 57  PRO   B N   1 
ATOM   441  C CA  . PRO   A 1 51  ? -38.243 -7.379  -27.047 1.00 10.06 ? 57  PRO   B CA  1 
ATOM   442  C C   . PRO   A 1 51  ? -36.725 -7.701  -27.036 1.00 8.60  ? 57  PRO   B C   1 
ATOM   443  O O   . PRO   A 1 51  ? -35.972 -7.185  -26.244 1.00 8.78  ? 57  PRO   B O   1 
ATOM   444  C CB  . PRO   A 1 51  ? -38.642 -6.403  -25.902 1.00 11.73 ? 57  PRO   B CB  1 
ATOM   445  C CG  . PRO   A 1 51  ? -39.781 -7.042  -25.184 1.00 13.05 ? 57  PRO   B CG  1 
ATOM   446  C CD  . PRO   A 1 51  ? -39.736 -8.491  -25.542 1.00 10.85 ? 57  PRO   B CD  1 
ATOM   447  N N   . MET   A 1 52  ? -36.334 -8.562  -27.993 1.00 8.55  ? 58  MET   B N   1 
ATOM   448  C CA  . MET   A 1 52  ? -34.996 -9.178  -28.055 1.00 7.60  ? 58  MET   B CA  1 
ATOM   449  C C   . MET   A 1 52  ? -34.210 -8.583  -29.198 1.00 8.23  ? 58  MET   B C   1 
ATOM   450  O O   . MET   A 1 52  ? -34.726 -8.117  -30.245 1.00 9.08  ? 58  MET   B O   1 
ATOM   451  C CB  . MET   A 1 52  ? -35.132 -10.679 -28.240 1.00 8.34  ? 58  MET   B CB  1 
ATOM   452  C CG  . MET   A 1 52  ? -35.662 -11.386 -27.032 1.00 8.62  ? 58  MET   B CG  1 
ATOM   453  S SD  . MET   A 1 52  ? -36.156 -13.085 -27.460 1.00 10.09 ? 58  MET   B SD  1 
ATOM   454  C CE  . MET   A 1 52  ? -36.785 -13.720 -25.907 1.00 11.30 ? 58  MET   B CE  1 
ATOM   455  N N   . VAL   A 1 53  ? -32.880 -8.648  -29.043 1.00 8.22  ? 59  VAL   B N   1 
ATOM   456  C CA  . VAL   A 1 53  ? -31.885 -8.186  -30.045 1.00 8.76  ? 59  VAL   B CA  1 
ATOM   457  C C   . VAL   A 1 53  ? -30.587 -8.977  -29.837 1.00 8.90  ? 59  VAL   B C   1 
ATOM   458  O O   . VAL   A 1 53  ? -30.300 -9.375  -28.682 1.00 9.14  ? 59  VAL   B O   1 
ATOM   459  C CB  . VAL   A 1 53  ? -31.667 -6.661  -29.989 1.00 9.20  ? 59  VAL   B CB  1 
ATOM   460  C CG1 . VAL   A 1 53  ? -31.165 -6.199  -28.650 1.00 9.61  ? 59  VAL   B CG1 1 
ATOM   461  C CG2 . VAL   A 1 53  ? -30.808 -6.147  -31.135 1.00 9.74  ? 59  VAL   B CG2 1 
ATOM   462  N N   . LEU   A 1 54  ? -29.813 -9.161  -30.895 1.00 8.42  ? 60  LEU   B N   1 
ATOM   463  C CA  . LEU   A 1 54  ? -28.497 -9.832  -30.820 1.00 8.53  ? 60  LEU   B CA  1 
ATOM   464  C C   . LEU   A 1 54  ? -27.381 -8.827  -30.927 1.00 9.25  ? 60  LEU   B C   1 
ATOM   465  O O   . LEU   A 1 54  ? -27.488 -7.744  -31.638 1.00 10.62 ? 60  LEU   B O   1 
ATOM   466  C CB  . LEU   A 1 54  ? -28.324 -10.883 -31.912 1.00 9.89  ? 60  LEU   B CB  1 
ATOM   467  C CG  . LEU   A 1 54  ? -29.408 -11.933 -31.934 1.00 10.07 ? 60  LEU   B CG  1 
ATOM   468  C CD1 . LEU   A 1 54  ? -29.115 -12.997 -32.976 1.00 11.55 ? 60  LEU   B CD1 1 
ATOM   469  C CD2 . LEU   A 1 54  ? -29.608 -12.590 -30.581 1.00 10.09 ? 60  LEU   B CD2 1 
ATOM   470  N N   . GLY   A 1 55  ? -26.219 -9.145  -30.350 1.00 9.29  ? 61  GLY   B N   1 
ATOM   471  C CA  . GLY   A 1 55  ? -24.955 -8.464  -30.719 1.00 10.06 ? 61  GLY   B CA  1 
ATOM   472  C C   . GLY   A 1 55  ? -24.545 -8.788  -32.157 1.00 9.89  ? 61  GLY   B C   1 
ATOM   473  O O   . GLY   A 1 55  ? -24.873 -9.836  -32.658 1.00 10.70 ? 61  GLY   B O   1 
ATOM   474  N N   . ALA   A 1 56  ? -23.787 -7.889  -32.774 1.00 11.43 ? 62  ALA   B N   1 
ATOM   475  C CA  . ALA   A 1 56  ? -23.291 -8.091  -34.159 1.00 12.61 ? 62  ALA   B CA  1 
ATOM   476  C C   . ALA   A 1 56  ? -22.171 -9.133  -34.180 1.00 12.95 ? 62  ALA   B C   1 
ATOM   477  O O   . ALA   A 1 56  ? -22.011 -9.838  -35.184 1.00 15.86 ? 62  ALA   B O   1 
ATOM   478  C CB  . ALA   A 1 56  ? -22.827 -6.787  -34.710 1.00 13.81 ? 62  ALA   B CB  1 
ATOM   479  N N   . GLN   A 1 57  ? -21.417 -9.221  -33.106 1.00 12.30 ? 63  GLN   B N   1 
ATOM   480  C CA  . GLN   A 1 57  ? -20.220 -10.105 -33.066 1.00 12.67 ? 63  GLN   B CA  1 
ATOM   481  C C   . GLN   A 1 57  ? -20.645 -11.577 -33.061 1.00 13.30 ? 63  GLN   B C   1 
ATOM   482  O O   . GLN   A 1 57  ? -21.657 -11.979 -32.428 1.00 13.93 ? 63  GLN   B O   1 
ATOM   483  C CB  . GLN   A 1 57  ? -19.375 -9.739  -31.846 1.00 15.00 ? 63  GLN   B CB  1 
ATOM   484  C CG  . GLN   A 1 57  ? -18.697 -8.383  -31.946 1.00 16.38 ? 63  GLN   B CG  1 
ATOM   485  C CD  . GLN   A 1 57  ? -19.647 -7.208  -31.823 1.00 15.65 ? 63  GLN   B CD  1 
ATOM   486  O OE1 . GLN   A 1 57  ? -20.609 -7.285  -31.056 1.00 15.30 ? 63  GLN   B OE1 1 
ATOM   487  N NE2 . GLN   A 1 57  ? -19.377 -6.114  -32.508 1.00 18.24 ? 63  GLN   B NE2 1 
ATOM   488  N N   . ARG   A 1 58  ? -19.887 -12.426 -33.756 1.00 13.32 ? 64  ARG   B N   1 
ATOM   489  C CA  . ARG   A 1 58  ? -20.038 -13.883 -33.770 1.00 13.21 ? 64  ARG   B CA  1 
ATOM   490  C C   . ARG   A 1 58  ? -18.775 -14.516 -33.209 1.00 12.52 ? 64  ARG   B C   1 
ATOM   491  O O   . ARG   A 1 58  ? -17.657 -14.073 -33.556 1.00 15.64 ? 64  ARG   B O   1 
ATOM   492  C CB  . ARG   A 1 58  ? -20.200 -14.446 -35.197 1.00 17.23 ? 64  ARG   B CB  1 
ATOM   493  C CG  . ARG   A 1 58  ? -21.573 -14.301 -35.862 1.00 24.71 ? 64  ARG   B CG  1 
ATOM   494  C CD  . ARG   A 1 58  ? -22.178 -12.932 -35.662 1.00 24.30 ? 64  ARG   B CD  1 
ATOM   495  N NE  . ARG   A 1 58  ? -22.938 -12.087 -36.601 1.00 26.85 ? 64  ARG   B NE  1 
ATOM   496  C CZ  . ARG   A 1 58  ? -23.663 -12.476 -37.635 1.00 25.04 ? 64  ARG   B CZ  1 
ATOM   497  N NH1 . ARG   A 1 58  ? -24.291 -11.562 -38.360 1.00 30.03 ? 64  ARG   B NH1 1 
ATOM   498  N NH2 . ARG   A 1 58  ? -23.722 -13.741 -37.976 1.00 27.42 ? 64  ARG   B NH2 1 
ATOM   499  N N   . PHE   A 1 59  ? -18.932 -15.451 -32.317 1.00 11.26 ? 65  PHE   B N   1 
ATOM   500  C CA  . PHE   A 1 59  ? -17.786 -16.132 -31.676 1.00 12.06 ? 65  PHE   B CA  1 
ATOM   501  C C   . PHE   A 1 59  ? -17.862 -17.618 -31.945 1.00 11.06 ? 65  PHE   B C   1 
ATOM   502  O O   . PHE   A 1 59  ? -18.855 -18.272 -31.725 1.00 11.69 ? 65  PHE   B O   1 
ATOM   503  C CB  . PHE   A 1 59  ? -17.825 -15.888 -30.158 1.00 13.53 ? 65  PHE   B CB  1 
ATOM   504  C CG  . PHE   A 1 59  ? -17.855 -14.415 -29.769 1.00 14.97 ? 65  PHE   B CG  1 
ATOM   505  C CD1 . PHE   A 1 59  ? -16.858 -13.597 -30.262 1.00 18.07 ? 65  PHE   B CD1 1 
ATOM   506  C CD2 . PHE   A 1 59  ? -18.859 -13.852 -29.009 1.00 21.92 ? 65  PHE   B CD2 1 
ATOM   507  C CE1 . PHE   A 1 59  ? -16.808 -12.242 -29.980 1.00 20.64 ? 65  PHE   B CE1 1 
ATOM   508  C CE2 . PHE   A 1 59  ? -18.792 -12.486 -28.693 1.00 18.12 ? 65  PHE   B CE2 1 
ATOM   509  C CZ  . PHE   A 1 59  ? -17.815 -11.702 -29.236 1.00 19.09 ? 65  PHE   B CZ  1 
ATOM   510  N N   A SER   A 1 60  ? -16.736 -18.179 -32.408 0.25 11.78 ? 66  SER   B N   1 
ATOM   511  N N   B SER   A 1 60  ? -16.729 -18.176 -32.391 0.25 11.55 ? 66  SER   B N   1 
ATOM   512  C CA  A SER   A 1 60  ? -16.624 -19.624 -32.731 0.25 12.35 ? 66  SER   B CA  1 
ATOM   513  C CA  B SER   A 1 60  ? -16.574 -19.625 -32.681 0.25 11.89 ? 66  SER   B CA  1 
ATOM   514  C C   A SER   A 1 60  ? -15.411 -20.282 -32.048 0.25 12.07 ? 66  SER   B C   1 
ATOM   515  C C   B SER   A 1 60  ? -15.292 -20.189 -32.074 0.25 11.82 ? 66  SER   B C   1 
ATOM   516  O O   A SER   A 1 60  ? -15.277 -21.521 -32.169 0.25 11.97 ? 66  SER   B O   1 
ATOM   517  O O   B SER   A 1 60  ? -14.871 -21.275 -32.483 0.25 10.74 ? 66  SER   B O   1 
ATOM   518  C CB  A SER   A 1 60  ? -16.645 -19.844 -34.238 0.25 12.81 ? 66  SER   B CB  1 
ATOM   519  C CB  B SER   A 1 60  ? -16.557 -19.873 -34.153 0.25 12.21 ? 66  SER   B CB  1 
ATOM   520  O OG  A SER   A 1 60  ? -17.979 -19.681 -34.753 0.25 13.79 ? 66  SER   B OG  1 
ATOM   521  O OG  B SER   A 1 60  ? -15.506 -19.136 -34.730 0.25 13.14 ? 66  SER   B OG  1 
ATOM   522  N N   A SER   A 1 61  ? -14.633 -19.505 -31.282 0.25 11.65 ? 67  SER   B N   1 
ATOM   523  N N   B SER   A 1 61  ? -14.677 -19.459 -31.157 0.25 12.15 ? 67  SER   B N   1 
ATOM   524  C CA  A SER   A 1 61  ? -13.427 -19.962 -30.532 0.25 11.79 ? 67  SER   B CA  1 
ATOM   525  C CA  B SER   A 1 61  ? -13.393 -19.866 -30.547 0.25 13.18 ? 67  SER   B CA  1 
ATOM   526  C C   A SER   A 1 61  ? -13.136 -18.980 -29.392 0.25 12.41 ? 67  SER   B C   1 
ATOM   527  C C   B SER   A 1 61  ? -13.028 -18.876 -29.452 0.25 13.26 ? 67  SER   B C   1 
ATOM   528  O O   A SER   A 1 61  ? -13.783 -17.937 -29.352 0.25 12.58 ? 67  SER   B O   1 
ATOM   529  O O   B SER   A 1 61  ? -13.476 -17.709 -29.535 0.25 13.06 ? 67  SER   B O   1 
ATOM   530  C CB  A SER   A 1 61  ? -12.208 -20.076 -31.449 0.25 11.96 ? 67  SER   B CB  1 
ATOM   531  C CB  B SER   A 1 61  ? -12.296 -19.917 -31.594 0.25 14.30 ? 67  SER   B CB  1 
ATOM   532  O OG  A SER   A 1 61  ? -11.785 -18.799 -31.904 0.25 12.73 ? 67  SER   B OG  1 
ATOM   533  O OG  B SER   A 1 61  ? -11.151 -20.565 -31.073 0.25 17.80 ? 67  SER   B OG  1 
ATOM   534  N N   . GLY   A 1 62  ? -12.172 -19.299 -28.526 1.00 13.96 ? 68  GLY   B N   1 
ATOM   535  C CA  . GLY   A 1 62  ? -11.589 -18.326 -27.598 1.00 14.90 ? 68  GLY   B CA  1 
ATOM   536  C C   . GLY   A 1 62  ? -12.418 -18.068 -26.352 1.00 11.65 ? 68  GLY   B C   1 
ATOM   537  O O   . GLY   A 1 62  ? -13.416 -18.742 -26.090 1.00 13.37 ? 68  GLY   B O   1 
ATOM   538  N N   . LYS   A 1 63  ? -11.915 -17.089 -25.640 1.00 11.73 ? 69  LYS   B N   1 
ATOM   539  C CA  . LYS   A 1 63  ? -12.507 -16.599 -24.390 1.00 12.17 ? 69  LYS   B CA  1 
ATOM   540  C C   . LYS   A 1 63  ? -12.945 -15.167 -24.640 1.00 11.67 ? 69  LYS   B C   1 
ATOM   541  O O   . LYS   A 1 63  ? -12.168 -14.354 -25.128 1.00 13.45 ? 69  LYS   B O   1 
ATOM   542  C CB  . LYS   A 1 63  ? -11.480 -16.731 -23.269 1.00 13.24 ? 69  LYS   B CB  1 
ATOM   543  C CG  . LYS   A 1 63  ? -11.074 -18.157 -22.935 1.00 13.84 ? 69  LYS   B CG  1 
ATOM   544  C CD  . LYS   A 1 63  ? -9.956  -18.211 -21.877 1.00 16.14 ? 69  LYS   B CD  1 
ATOM   545  C CE  . LYS   A 1 63  ? -9.623  -19.619 -21.437 1.00 18.30 ? 69  LYS   B CE  1 
ATOM   546  N NZ  . LYS   A 1 63  ? -8.540  -19.644 -20.414 1.00 20.65 ? 69  LYS   B NZ  1 
ATOM   547  N N   . MET   A 1 64  ? -14.149 -14.829 -24.194 1.00 10.96 ? 70  MET   B N   1 
ATOM   548  C CA  . MET   A 1 64  ? -14.774 -13.502 -24.400 1.00 11.07 ? 70  MET   B CA  1 
ATOM   549  C C   . MET   A 1 64  ? -15.442 -13.053 -23.102 1.00 10.85 ? 70  MET   B C   1 
ATOM   550  O O   . MET   A 1 64  ? -16.005 -13.885 -22.389 1.00 11.37 ? 70  MET   B O   1 
ATOM   551  C CB  . MET   A 1 64  ? -15.872 -13.563 -25.448 1.00 11.01 ? 70  MET   B CB  1 
ATOM   552  C CG  . MET   A 1 64  ? -15.451 -13.777 -26.888 1.00 12.07 ? 70  MET   B CG  1 
ATOM   553  S SD  . MET   A 1 64  ? -14.695 -15.326 -27.392 1.00 13.79 ? 70  MET   B SD  1 
ATOM   554  C CE  . MET   A 1 64  ? -15.922 -16.527 -26.950 1.00 14.25 ? 70  MET   B CE  1 
ATOM   555  N N   . TYR   A 1 65  ? -15.391 -11.772 -22.819 1.00 11.16 ? 71  TYR   B N   1 
ATOM   556  C CA  . TYR   A 1 65  ? -16.011 -11.187 -21.609 1.00 11.10 ? 71  TYR   B CA  1 
ATOM   557  C C   . TYR   A 1 65  ? -16.639 -9.855  -21.972 1.00 10.94 ? 71  TYR   B C   1 
ATOM   558  O O   . TYR   A 1 65  ? -15.992 -9.028  -22.678 1.00 11.88 ? 71  TYR   B O   1 
ATOM   559  C CB  . TYR   A 1 65  ? -14.962 -11.018 -20.505 1.00 11.96 ? 71  TYR   B CB  1 
ATOM   560  C CG  . TYR   A 1 65  ? -15.476 -10.385 -19.236 1.00 11.55 ? 71  TYR   B CG  1 
ATOM   561  C CD1 . TYR   A 1 65  ? -16.219 -11.129 -18.337 1.00 11.58 ? 71  TYR   B CD1 1 
ATOM   562  C CD2 . TYR   A 1 65  ? -15.270 -9.037  -18.950 1.00 11.83 ? 71  TYR   B CD2 1 
ATOM   563  C CE1 . TYR   A 1 65  ? -16.760 -10.574 -17.171 1.00 12.48 ? 71  TYR   B CE1 1 
ATOM   564  C CE2 . TYR   A 1 65  ? -15.801 -8.477  -17.795 1.00 11.78 ? 71  TYR   B CE2 1 
ATOM   565  C CZ  . TYR   A 1 65  ? -16.516 -9.233  -16.900 1.00 11.88 ? 71  TYR   B CZ  1 
ATOM   566  O OH  . TYR   A 1 65  ? -17.062 -8.664  -15.775 1.00 13.35 ? 71  TYR   B OH  1 
ATOM   567  N N   . TRP   A 1 66  ? -17.838 -9.581  -21.463 1.00 9.71  ? 72  TRP   B N   1 
ATOM   568  C CA  . TRP   A 1 66  ? -18.432 -8.222  -21.573 1.00 10.38 ? 72  TRP   B CA  1 
ATOM   569  C C   . TRP   A 1 66  ? -19.322 -7.979  -20.356 1.00 10.10 ? 72  TRP   B C   1 
ATOM   570  O O   . TRP   A 1 66  ? -19.662 -8.898  -19.617 1.00 10.68 ? 72  TRP   B O   1 
ATOM   571  C CB  . TRP   A 1 66  ? -19.160 -8.034  -22.937 1.00 9.97  ? 72  TRP   B CB  1 
ATOM   572  C CG  . TRP   A 1 66  ? -20.320 -8.930  -23.198 1.00 9.55  ? 72  TRP   B CG  1 
ATOM   573  C CD1 . TRP   A 1 66  ? -21.646 -8.622  -23.005 1.00 9.54  ? 72  TRP   B CD1 1 
ATOM   574  C CD2 . TRP   A 1 66  ? -20.325 -10.255 -23.730 1.00 10.31 ? 72  TRP   B CD2 1 
ATOM   575  N NE1 . TRP   A 1 66  ? -22.456 -9.659  -23.373 1.00 9.83  ? 72  TRP   B NE1 1 
ATOM   576  C CE2 . TRP   A 1 66  ? -21.665 -10.687 -23.820 1.00 10.35 ? 72  TRP   B CE2 1 
ATOM   577  C CE3 . TRP   A 1 66  ? -19.308 -11.142 -24.125 1.00 11.50 ? 72  TRP   B CE3 1 
ATOM   578  C CZ2 . TRP   A 1 66  ? -22.022 -11.926 -24.326 1.00 10.58 ? 72  TRP   B CZ2 1 
ATOM   579  C CZ3 . TRP   A 1 66  ? -19.647 -12.376 -24.634 1.00 13.94 ? 72  TRP   B CZ3 1 
ATOM   580  C CH2 . TRP   A 1 66  ? -20.982 -12.779 -24.703 1.00 12.84 ? 72  TRP   B CH2 1 
ATOM   581  N N   . GLU   A 1 67  ? -19.701 -6.714  -20.208 1.00 10.09 ? 73  GLU   B N   1 
ATOM   582  C CA  . GLU   A 1 67  ? -20.567 -6.263  -19.101 1.00 9.43  ? 73  GLU   B CA  1 
ATOM   583  C C   . GLU   A 1 67  ? -21.779 -5.488  -19.598 1.00 9.28  ? 73  GLU   B C   1 
ATOM   584  O O   . GLU   A 1 67  ? -21.697 -4.776  -20.570 1.00 9.93  ? 73  GLU   B O   1 
ATOM   585  C CB  . GLU   A 1 67  ? -19.793 -5.414  -18.101 1.00 11.46 ? 73  GLU   B CB  1 
ATOM   586  C CG  . GLU   A 1 67  ? -18.701 -6.220  -17.392 1.00 14.16 ? 73  GLU   B CG  1 
ATOM   587  C CD  . GLU   A 1 67  ? -17.885 -5.474  -16.358 1.00 15.96 ? 73  GLU   B CD  1 
ATOM   588  O OE1 . GLU   A 1 67  ? -18.059 -4.218  -16.239 1.00 21.16 ? 73  GLU   B OE1 1 
ATOM   589  O OE2 . GLU   A 1 67  ? -17.020 -6.138  -15.681 1.00 15.15 ? 73  GLU   B OE2 1 
ATOM   590  N N   . VAL   A 1 68  ? -22.869 -5.678  -18.887 1.00 9.09  ? 74  VAL   B N   1 
ATOM   591  C CA  . VAL   A 1 68  ? -24.146 -5.042  -19.217 1.00 9.07  ? 74  VAL   B CA  1 
ATOM   592  C C   . VAL   A 1 68  ? -24.696 -4.371  -17.974 1.00 9.18  ? 74  VAL   B C   1 
ATOM   593  O O   . VAL   A 1 68  ? -24.835 -4.988  -16.911 1.00 10.48 ? 74  VAL   B O   1 
ATOM   594  C CB  . VAL   A 1 68  ? -25.158 -6.061  -19.769 1.00 9.27  ? 74  VAL   B CB  1 
ATOM   595  C CG1 . VAL   A 1 68  ? -26.409 -5.341  -20.214 1.00 10.73 ? 74  VAL   B CG1 1 
ATOM   596  C CG2 . VAL   A 1 68  ? -24.556 -6.931  -20.859 1.00 9.96  ? 74  VAL   B CG2 1 
ATOM   597  N N   . ASP   A 1 69  ? -25.143 -3.116  -18.154 1.00 9.54  ? 75  ASP   B N   1 
ATOM   598  C CA  . ASP   A 1 69  ? -25.822 -2.324  -17.107 1.00 10.57 ? 75  ASP   B CA  1 
ATOM   599  C C   . ASP   A 1 69  ? -27.313 -2.606  -17.148 1.00 9.35  ? 75  ASP   B C   1 
ATOM   600  O O   . ASP   A 1 69  ? -27.941 -2.460  -18.253 1.00 10.06 ? 75  ASP   B O   1 
ATOM   601  C CB  . ASP   A 1 69  ? -25.550 -0.825  -17.272 1.00 12.30 ? 75  ASP   B CB  1 
ATOM   602  C CG  . ASP   A 1 69  ? -25.929 -0.025  -16.031 1.00 14.59 ? 75  ASP   B CG  1 
ATOM   603  O OD1 . ASP   A 1 69  ? -27.057 -0.020  -15.658 1.00 14.33 ? 75  ASP   B OD1 1 
ATOM   604  O OD2 . ASP   A 1 69  ? -25.011 0.427   -15.299 1.00 18.34 ? 75  ASP   B OD2 1 
ATOM   605  N N   . VAL   A 1 70  ? -27.890 -2.986  -16.012 1.00 9.40  ? 76  VAL   B N   1 
ATOM   606  C CA  . VAL   A 1 70  ? -29.338 -3.323  -15.858 1.00 10.29 ? 76  VAL   B CA  1 
ATOM   607  C C   . VAL   A 1 70  ? -30.025 -2.431  -14.803 1.00 10.52 ? 76  VAL   B C   1 
ATOM   608  O O   . VAL   A 1 70  ? -31.099 -2.784  -14.301 1.00 10.91 ? 76  VAL   B O   1 
ATOM   609  C CB  . VAL   A 1 70  ? -29.501 -4.832  -15.499 1.00 9.91  ? 76  VAL   B CB  1 
ATOM   610  C CG1 . VAL   A 1 70  ? -28.961 -5.778  -16.604 1.00 10.17 ? 76  VAL   B CG1 1 
ATOM   611  C CG2 . VAL   A 1 70  ? -28.867 -5.198  -14.161 1.00 10.71 ? 76  VAL   B CG2 1 
ATOM   612  N N   . THR   A 1 71  ? -29.392 -1.321  -14.454 1.00 10.98 ? 77  THR   B N   1 
ATOM   613  C CA  . THR   A 1 71  ? -29.895 -0.397  -13.409 1.00 12.36 ? 77  THR   B CA  1 
ATOM   614  C C   . THR   A 1 71  ? -31.383 -0.081  -13.636 1.00 12.08 ? 77  THR   B C   1 
ATOM   615  O O   . THR   A 1 71  ? -31.799 0.285   -14.733 1.00 12.68 ? 77  THR   B O   1 
ATOM   616  C CB  . THR   A 1 71  ? -29.102 0.912   -13.426 1.00 12.81 ? 77  THR   B CB  1 
ATOM   617  O OG1 . THR   A 1 71  ? -27.718 0.645   -13.171 1.00 14.95 ? 77  THR   B OG1 1 
ATOM   618  C CG2 . THR   A 1 71  ? -29.632 1.892   -12.396 1.00 15.07 ? 77  THR   B CG2 1 
ATOM   619  N N   . GLN   A 1 72  ? -32.109 -0.196  -12.539 1.00 14.68 ? 78  GLN   B N   1 
ATOM   620  C CA  . GLN   A 1 72  ? -33.547 0.097   -12.320 1.00 16.88 ? 78  GLN   B CA  1 
ATOM   621  C C   . GLN   A 1 72  ? -34.490 -0.726  -13.188 1.00 17.56 ? 78  GLN   B C   1 
ATOM   622  O O   . GLN   A 1 72  ? -35.725 -0.514  -13.109 1.00 22.94 ? 78  GLN   B O   1 
ATOM   623  C CB  . GLN   A 1 72  ? -33.817 1.591   -12.409 1.00 23.61 ? 78  GLN   B CB  1 
ATOM   624  C CG  . GLN   A 1 72  ? -33.575 2.222   -13.765 1.00 29.38 ? 78  GLN   B CG  1 
ATOM   625  C CD  . GLN   A 1 72  ? -34.621 3.272   -14.052 1.00 33.40 ? 78  GLN   B CD  1 
ATOM   626  O OE1 . GLN   A 1 72  ? -34.334 4.325   -14.613 1.00 37.06 ? 78  GLN   B OE1 1 
ATOM   627  N NE2 . GLN   A 1 72  ? -35.865 2.946   -13.724 1.00 39.54 ? 78  GLN   B NE2 1 
ATOM   628  N N   . LYS   A 1 73  ? -34.040 -1.758  -13.873 1.00 12.62 ? 79  LYS   B N   1 
ATOM   629  C CA  . LYS   A 1 73  ? -34.980 -2.628  -14.577 1.00 10.56 ? 79  LYS   B CA  1 
ATOM   630  C C   . LYS   A 1 73  ? -35.669 -3.628  -13.672 1.00 9.99  ? 79  LYS   B C   1 
ATOM   631  O O   . LYS   A 1 73  ? -35.022 -4.155  -12.725 1.00 11.52 ? 79  LYS   B O   1 
ATOM   632  C CB  . LYS   A 1 73  ? -34.252 -3.307  -15.732 1.00 10.81 ? 79  LYS   B CB  1 
ATOM   633  C CG  . LYS   A 1 73  ? -33.842 -2.314  -16.849 1.00 10.48 ? 79  LYS   B CG  1 
ATOM   634  C CD  . LYS   A 1 73  ? -33.321 -2.951  -18.118 1.00 11.11 ? 79  LYS   B CD  1 
ATOM   635  C CE  . LYS   A 1 73  ? -34.375 -3.706  -18.893 1.00 10.06 ? 79  LYS   B CE  1 
ATOM   636  N NZ  . LYS   A 1 73  ? -35.587 -2.883  -19.206 1.00 9.36  ? 79  LYS   B NZ  1 
ATOM   637  N N   . GLU   A 1 74  ? -36.896 -3.952  -13.996 1.00 9.24  ? 80  GLU   B N   1 
ATOM   638  C CA  . GLU   A 1 74  ? -37.695 -4.971  -13.307 1.00 9.10  ? 80  GLU   B CA  1 
ATOM   639  C C   . GLU   A 1 74  ? -37.648 -6.326  -14.006 1.00 9.39  ? 80  GLU   B C   1 
ATOM   640  O O   . GLU   A 1 74  ? -38.031 -7.328  -13.420 1.00 10.27 ? 80  GLU   B O   1 
ATOM   641  C CB  . GLU   A 1 74  ? -39.174 -4.555  -13.264 1.00 10.00 ? 80  GLU   B CB  1 
ATOM   642  C CG  . GLU   A 1 74  ? -39.499 -3.323  -12.465 1.00 11.89 ? 80  GLU   B CG  1 
ATOM   643  C CD  . GLU   A 1 74  ? -40.957 -2.865  -12.583 1.00 11.07 ? 80  GLU   B CD  1 
ATOM   644  O OE1 . GLU   A 1 74  ? -41.325 -2.007  -11.774 1.00 14.78 ? 80  GLU   B OE1 1 
ATOM   645  O OE2 . GLU   A 1 74  ? -41.680 -3.383  -13.438 1.00 13.01 ? 80  GLU   B OE2 1 
ATOM   646  N N   . ALA   A 1 75  ? -37.317 -6.371  -15.302 1.00 8.67  ? 81  ALA   B N   1 
ATOM   647  C CA  . ALA   A 1 75  ? -37.304 -7.626  -16.056 1.00 9.36  ? 81  ALA   B CA  1 
ATOM   648  C C   . ALA   A 1 75  ? -36.316 -7.475  -17.202 1.00 9.21  ? 81  ALA   B C   1 
ATOM   649  O O   . ALA   A 1 75  ? -36.260 -6.421  -17.881 1.00 9.71  ? 81  ALA   B O   1 
ATOM   650  C CB  . ALA   A 1 75  ? -38.674 -7.946  -16.586 1.00 10.01 ? 81  ALA   B CB  1 
ATOM   651  N N   . TRP   A 1 76  ? -35.572 -8.555  -17.474 1.00 8.41  ? 82  TRP   B N   1 
ATOM   652  C CA  . TRP   A 1 76  ? -34.604 -8.644  -18.601 1.00 7.93  ? 82  TRP   B CA  1 
ATOM   653  C C   . TRP   A 1 76  ? -34.110 -10.073 -18.689 1.00 8.44  ? 82  TRP   B C   1 
ATOM   654  O O   . TRP   A 1 76  ? -34.210 -10.841 -17.704 1.00 8.88  ? 82  TRP   B O   1 
ATOM   655  C CB  . TRP   A 1 76  ? -33.436 -7.689  -18.402 1.00 8.66  ? 82  TRP   B CB  1 
ATOM   656  C CG  . TRP   A 1 76  ? -32.770 -7.711  -17.068 1.00 8.99  ? 82  TRP   B CG  1 
ATOM   657  C CD1 . TRP   A 1 76  ? -32.971 -6.867  -16.026 1.00 9.78  ? 82  TRP   B CD1 1 
ATOM   658  C CD2 . TRP   A 1 76  ? -31.814 -8.660  -16.535 1.00 8.71  ? 82  TRP   B CD2 1 
ATOM   659  N NE1 . TRP   A 1 76  ? -32.207 -7.146  -14.950 1.00 9.73  ? 82  TRP   B NE1 1 
ATOM   660  C CE2 . TRP   A 1 76  ? -31.474 -8.281  -15.228 1.00 9.63  ? 82  TRP   B CE2 1 
ATOM   661  C CE3 . TRP   A 1 76  ? -31.187 -9.823  -17.060 1.00 9.83  ? 82  TRP   B CE3 1 
ATOM   662  C CZ2 . TRP   A 1 76  ? -30.557 -8.960  -14.432 1.00 9.78  ? 82  TRP   B CZ2 1 
ATOM   663  C CZ3 . TRP   A 1 76  ? -30.305 -10.540 -16.265 1.00 10.57 ? 82  TRP   B CZ3 1 
ATOM   664  C CH2 . TRP   A 1 76  ? -29.989 -10.090 -14.969 1.00 10.83 ? 82  TRP   B CH2 1 
ATOM   665  N N   . ASP   A 1 77  ? -33.607 -10.427 -19.855 1.00 8.28  ? 83  ASP   B N   1 
ATOM   666  C CA  . ASP   A 1 77  ? -32.837 -11.680 -20.060 1.00 8.41  ? 83  ASP   B CA  1 
ATOM   667  C C   . ASP   A 1 77  ? -31.488 -11.301 -20.654 1.00 8.04  ? 83  ASP   B C   1 
ATOM   668  O O   . ASP   A 1 77  ? -31.441 -10.408 -21.524 1.00 8.64  ? 83  ASP   B O   1 
ATOM   669  C CB  . ASP   A 1 77  ? -33.529 -12.665 -21.007 1.00 10.19 ? 83  ASP   B CB  1 
ATOM   670  C CG  . ASP   A 1 77  ? -35.017 -12.883 -20.865 1.00 11.57 ? 83  ASP   B CG  1 
ATOM   671  O OD1 . ASP   A 1 77  ? -35.450 -12.886 -19.735 1.00 14.07 ? 83  ASP   B OD1 1 
ATOM   672  O OD2 . ASP   A 1 77  ? -35.700 -13.084 -21.918 1.00 13.86 ? 83  ASP   B OD2 1 
ATOM   673  N N   . LEU   A 1 78  ? -30.423 -11.999 -20.283 1.00 7.17  ? 84  LEU   B N   1 
ATOM   674  C CA  . LEU   A 1 78  ? -29.064 -11.756 -20.807 1.00 7.83  ? 84  LEU   B CA  1 
ATOM   675  C C   . LEU   A 1 78  ? -28.334 -13.075 -20.989 1.00 7.45  ? 84  LEU   B C   1 
ATOM   676  O O   . LEU   A 1 78  ? -28.455 -13.987 -20.173 1.00 7.78  ? 84  LEU   B O   1 
ATOM   677  C CB  . LEU   A 1 78  ? -28.246 -10.906 -19.839 1.00 8.30  ? 84  LEU   B CB  1 
ATOM   678  C CG  . LEU   A 1 78  ? -28.606 -9.427  -19.722 1.00 9.56  ? 84  LEU   B CG  1 
ATOM   679  C CD1 . LEU   A 1 78  ? -27.789 -8.770  -18.610 1.00 10.44 ? 84  LEU   B CD1 1 
ATOM   680  C CD2 . LEU   A 1 78  ? -28.397 -8.733  -21.046 1.00 9.72  ? 84  LEU   B CD2 1 
ATOM   681  N N   . GLY   A 1 79  ? -27.494 -13.126 -22.019 1.00 7.15  ? 85  GLY   B N   1 
ATOM   682  C CA  . GLY   A 1 79  ? -26.523 -14.228 -22.134 1.00 7.73  ? 85  GLY   B CA  1 
ATOM   683  C C   . GLY   A 1 79  ? -25.987 -14.294 -23.552 1.00 7.32  ? 85  GLY   B C   1 
ATOM   684  O O   . GLY   A 1 79  ? -25.590 -13.278 -24.135 1.00 7.77  ? 85  GLY   B O   1 
ATOM   685  N N   A VAL   A 1 80  ? -25.939 -15.524 -24.060 0.25 7.46  ? 86  VAL   B N   1 
ATOM   686  N N   B VAL   A 1 80  ? -25.955 -15.493 -24.095 0.25 7.83  ? 86  VAL   B N   1 
ATOM   687  C CA  A VAL   A 1 80  ? -25.540 -15.822 -25.464 0.25 7.39  ? 86  VAL   B CA  1 
ATOM   688  C CA  B VAL   A 1 80  ? -25.368 -15.735 -25.438 0.25 7.94  ? 86  VAL   B CA  1 
ATOM   689  C C   A VAL   A 1 80  ? -26.514 -16.804 -26.088 0.25 7.75  ? 86  VAL   B C   1 
ATOM   690  C C   B VAL   A 1 80  ? -26.264 -16.822 -26.068 0.25 8.26  ? 86  VAL   B C   1 
ATOM   691  O O   A VAL   A 1 80  ? -27.243 -17.561 -25.411 0.25 7.94  ? 86  VAL   B O   1 
ATOM   692  O O   B VAL   A 1 80  ? -26.826 -17.605 -25.299 0.25 8.90  ? 86  VAL   B O   1 
ATOM   693  C CB  A VAL   A 1 80  ? -24.128 -16.417 -25.604 0.25 7.53  ? 86  VAL   B CB  1 
ATOM   694  C CB  B VAL   A 1 80  ? -23.874 -16.110 -25.271 0.25 8.51  ? 86  VAL   B CB  1 
ATOM   695  C CG1 A VAL   A 1 80  ? -23.114 -15.375 -25.216 0.25 7.46  ? 86  VAL   B CG1 1 
ATOM   696  C CG1 B VAL   A 1 80  ? -23.709 -17.467 -24.595 0.25 8.53  ? 86  VAL   B CG1 1 
ATOM   697  C CG2 A VAL   A 1 80  ? -23.948 -17.712 -24.823 0.25 7.39  ? 86  VAL   B CG2 1 
ATOM   698  C CG2 B VAL   A 1 80  ? -23.097 -16.029 -26.573 0.25 9.29  ? 86  VAL   B CG2 1 
ATOM   699  N N   . CYS   A 1 81  ? -26.444 -16.837 -27.406 1.00 8.15  ? 87  CYS   B N   1 
ATOM   700  C CA  . CYS   A 1 81  ? -27.265 -17.819 -28.095 1.00 9.09  ? 87  CYS   B CA  1 
ATOM   701  C C   . CYS   A 1 81  ? -26.600 -18.232 -29.401 1.00 8.91  ? 87  CYS   B C   1 
ATOM   702  O O   . CYS   A 1 81  ? -25.726 -17.526 -29.931 1.00 9.17  ? 87  CYS   B O   1 
ATOM   703  C CB  . CYS   A 1 81  ? -28.674 -17.287 -28.363 1.00 10.04 ? 87  CYS   B CB  1 
ATOM   704  S SG  . CYS   A 1 81  ? -28.753 -15.885 -29.503 1.00 10.30 ? 87  CYS   B SG  1 
ATOM   705  N N   A ARG   A 1 82  ? -27.031 -19.362 -29.923 0.25 9.13  ? 88  ARG   B N   1 
ATOM   706  N N   B ARG   A 1 82  ? -26.999 -19.395 -29.910 0.25 8.60  ? 88  ARG   B N   1 
ATOM   707  C CA  A ARG   A 1 82  ? -26.593 -19.741 -31.284 0.25 9.70  ? 88  ARG   B CA  1 
ATOM   708  C CA  B ARG   A 1 82  ? -26.562 -19.862 -31.258 0.25 8.87  ? 88  ARG   B CA  1 
ATOM   709  C C   A ARG   A 1 82  ? -27.024 -18.698 -32.309 0.25 9.37  ? 88  ARG   B C   1 
ATOM   710  C C   B ARG   A 1 82  ? -27.078 -18.894 -32.342 0.25 9.04  ? 88  ARG   B C   1 
ATOM   711  O O   A ARG   A 1 82  ? -28.060 -18.051 -32.198 0.25 8.37  ? 88  ARG   B O   1 
ATOM   712  O O   B ARG   A 1 82  ? -28.274 -18.482 -32.251 0.25 8.87  ? 88  ARG   B O   1 
ATOM   713  C CB  A ARG   A 1 82  ? -27.215 -21.063 -31.699 0.25 10.82 ? 88  ARG   B CB  1 
ATOM   714  C CB  B ARG   A 1 82  ? -27.093 -21.275 -31.526 0.25 9.21  ? 88  ARG   B CB  1 
ATOM   715  C CG  A ARG   A 1 82  ? -26.798 -22.168 -30.755 0.25 12.00 ? 88  ARG   B CG  1 
ATOM   716  C CG  B ARG   A 1 82  ? -26.370 -22.008 -32.648 0.25 8.99  ? 88  ARG   B CG  1 
ATOM   717  C CD  A ARG   A 1 82  ? -27.342 -23.485 -31.222 0.25 13.65 ? 88  ARG   B CD  1 
ATOM   718  C CD  B ARG   A 1 82  ? -26.965 -23.376 -32.930 0.25 9.51  ? 88  ARG   B CD  1 
ATOM   719  N NE  A ARG   A 1 82  ? -26.955 -24.552 -30.316 0.25 13.33 ? 88  ARG   B NE  1 
ATOM   720  N NE  B ARG   A 1 82  ? -26.798 -24.200 -31.762 0.25 9.33  ? 88  ARG   B NE  1 
ATOM   721  C CZ  A ARG   A 1 82  ? -27.756 -25.543 -29.980 0.25 14.33 ? 88  ARG   B CZ  1 
ATOM   722  C CZ  B ARG   A 1 82  ? -27.793 -24.777 -31.104 0.25 9.21  ? 88  ARG   B CZ  1 
ATOM   723  N NH1 A ARG   A 1 82  ? -28.977 -25.586 -30.473 0.25 14.58 ? 88  ARG   B NH1 1 
ATOM   724  N NH1 B ARG   A 1 82  ? -29.022 -24.750 -31.571 0.25 10.11 ? 88  ARG   B NH1 1 
ATOM   725  N NH2 A ARG   A 1 82  ? -27.334 -26.486 -29.163 0.25 15.76 ? 88  ARG   B NH2 1 
ATOM   726  N NH2 B ARG   A 1 82  ? -27.528 -25.425 -29.983 0.25 9.06  ? 88  ARG   B NH2 1 
ATOM   727  N N   . ASP   A 1 83  ? -26.241 -18.581 -33.355 1.00 10.19 ? 89  ASP   B N   1 
ATOM   728  C CA  . ASP   A 1 83  ? -26.627 -17.675 -34.448 1.00 11.20 ? 89  ASP   B CA  1 
ATOM   729  C C   . ASP   A 1 83  ? -27.924 -18.159 -35.077 1.00 11.43 ? 89  ASP   B C   1 
ATOM   730  O O   . ASP   A 1 83  ? -28.686 -17.296 -35.606 1.00 15.38 ? 89  ASP   B O   1 
ATOM   731  C CB  . ASP   A 1 83  ? -25.521 -17.615 -35.501 1.00 12.98 ? 89  ASP   B CB  1 
ATOM   732  C CG  . ASP   A 1 83  ? -25.140 -18.898 -36.195 1.00 15.14 ? 89  ASP   B CG  1 
ATOM   733  O OD1 . ASP   A 1 83  ? -25.616 -20.002 -35.794 1.00 17.20 ? 89  ASP   B OD1 1 
ATOM   734  O OD2 . ASP   A 1 83  ? -24.342 -18.772 -37.183 1.00 18.35 ? 89  ASP   B OD2 1 
ATOM   735  N N   . SER   A 1 84  ? -28.253 -19.431 -35.054 1.00 10.35 ? 90  SER   B N   1 
ATOM   736  C CA  . SER   A 1 84  ? -29.414 -19.988 -35.768 1.00 12.92 ? 90  SER   B CA  1 
ATOM   737  C C   . SER   A 1 84  ? -30.654 -20.205 -34.888 1.00 11.37 ? 90  SER   B C   1 
ATOM   738  O O   . SER   A 1 84  ? -31.548 -20.910 -35.301 1.00 12.79 ? 90  SER   B O   1 
ATOM   739  C CB  . SER   A 1 84  ? -29.017 -21.235 -36.446 1.00 15.39 ? 90  SER   B CB  1 
ATOM   740  O OG  . SER   A 1 84  ? -28.588 -22.154 -35.530 1.00 15.36 ? 90  SER   B OG  1 
ATOM   741  N N   . VAL   A 1 85  ? -30.740 -19.555 -33.721 1.00 10.86 ? 91  VAL   B N   1 
ATOM   742  C CA  . VAL   A 1 85  ? -31.971 -19.648 -32.910 1.00 11.08 ? 91  VAL   B CA  1 
ATOM   743  C C   . VAL   A 1 85  ? -33.175 -19.147 -33.726 1.00 10.87 ? 91  VAL   B C   1 
ATOM   744  O O   . VAL   A 1 85  ? -33.070 -18.213 -34.536 1.00 11.17 ? 91  VAL   B O   1 
ATOM   745  C CB  . VAL   A 1 85  ? -31.864 -18.888 -31.574 1.00 10.77 ? 91  VAL   B CB  1 
ATOM   746  C CG1 . VAL   A 1 85  ? -30.850 -19.576 -30.659 1.00 10.68 ? 91  VAL   B CG1 1 
ATOM   747  C CG2 . VAL   A 1 85  ? -31.617 -17.406 -31.706 1.00 10.53 ? 91  VAL   B CG2 1 
ATOM   748  N N   . GLN   A 1 86  ? -34.307 -19.771 -33.443 1.00 11.92 ? 92  GLN   B N   1 
ATOM   749  C CA  . GLN   A 1 86  ? -35.647 -19.337 -33.921 1.00 13.61 ? 92  GLN   B CA  1 
ATOM   750  C C   . GLN   A 1 86  ? -35.864 -17.851 -33.599 1.00 12.48 ? 92  GLN   B C   1 
ATOM   751  O O   . GLN   A 1 86  ? -35.598 -17.419 -32.491 1.00 13.40 ? 92  GLN   B O   1 
ATOM   752  C CB  . GLN   A 1 86  ? -36.657 -20.221 -33.191 1.00 16.14 ? 92  GLN   B CB  1 
ATOM   753  C CG  . GLN   A 1 86  ? -38.139 -19.938 -33.488 1.00 19.96 ? 92  GLN   B CG  1 
ATOM   754  C CD  . GLN   A 1 86  ? -39.030 -20.751 -32.552 1.00 23.07 ? 92  GLN   B CD  1 
ATOM   755  O OE1 . GLN   A 1 86  ? -38.611 -21.723 -31.882 1.00 24.62 ? 92  GLN   B OE1 1 
ATOM   756  N NE2 . GLN   A 1 86  ? -40.311 -20.386 -32.468 1.00 25.72 ? 92  GLN   B NE2 1 
ATOM   757  N N   . ARG   A 1 87  ? -36.417 -17.125 -34.550 1.00 11.65 ? 93  ARG   B N   1 
ATOM   758  C CA  . ARG   A 1 87  ? -36.706 -15.672 -34.400 1.00 11.41 ? 93  ARG   B CA  1 
ATOM   759  C C   . ARG   A 1 87  ? -38.211 -15.449 -34.261 1.00 12.63 ? 93  ARG   B C   1 
ATOM   760  O O   . ARG   A 1 87  ? -38.583 -14.432 -33.654 1.00 12.57 ? 93  ARG   B O   1 
ATOM   761  C CB  . ARG   A 1 87  ? -36.170 -14.848 -35.552 1.00 12.57 ? 93  ARG   B CB  1 
ATOM   762  C CG  . ARG   A 1 87  ? -34.703 -15.078 -35.864 1.00 12.24 ? 93  ARG   B CG  1 
ATOM   763  C CD  . ARG   A 1 87  ? -33.761 -14.795 -34.663 1.00 12.17 ? 93  ARG   B CD  1 
ATOM   764  N NE  . ARG   A 1 87  ? -32.385 -15.274 -34.974 1.00 13.29 ? 93  ARG   B NE  1 
ATOM   765  C CZ  . ARG   A 1 87  ? -31.487 -14.549 -35.596 1.00 12.14 ? 93  ARG   B CZ  1 
ATOM   766  N NH1 . ARG   A 1 87  ? -31.771 -13.326 -35.975 1.00 14.84 ? 93  ARG   B NH1 1 
ATOM   767  N NH2 . ARG   A 1 87  ? -30.300 -15.066 -35.893 1.00 14.87 ? 93  ARG   B NH2 1 
ATOM   768  N N   . LYS   A 1 88  ? -39.064 -16.286 -34.861 1.00 12.63 ? 94  LYS   B N   1 
ATOM   769  C CA  . LYS   A 1 88  ? -40.519 -16.003 -34.993 1.00 12.71 ? 94  LYS   B CA  1 
ATOM   770  C C   . LYS   A 1 88  ? -41.307 -16.903 -34.081 1.00 13.54 ? 94  LYS   B C   1 
ATOM   771  O O   . LYS   A 1 88  ? -40.945 -18.104 -33.932 1.00 16.06 ? 94  LYS   B O   1 
ATOM   772  C CB  . LYS   A 1 88  ? -40.939 -16.225 -36.449 1.00 13.59 ? 94  LYS   B CB  1 
ATOM   773  C CG  . LYS   A 1 88  ? -40.144 -15.475 -37.481 1.00 14.23 ? 94  LYS   B CG  1 
ATOM   774  C CD  . LYS   A 1 88  ? -40.068 -13.967 -37.223 1.00 14.90 ? 94  LYS   B CD  1 
ATOM   775  C CE  . LYS   A 1 88  ? -39.278 -13.298 -38.310 1.00 15.22 ? 94  LYS   B CE  1 
ATOM   776  N NZ  . LYS   A 1 88  ? -39.170 -11.828 -38.158 1.00 15.49 ? 94  LYS   B NZ  1 
ATOM   777  N N   . GLY   A 1 89  ? -42.386 -16.406 -33.505 1.00 14.39 ? 95  GLY   B N   1 
ATOM   778  C CA  . GLY   A 1 89  ? -43.273 -17.212 -32.673 1.00 14.83 ? 95  GLY   B CA  1 
ATOM   779  C C   . GLY   A 1 89  ? -42.780 -17.334 -31.248 1.00 15.86 ? 95  GLY   B C   1 
ATOM   780  O O   . GLY   A 1 89  ? -41.793 -16.623 -30.833 1.00 15.78 ? 95  GLY   B O   1 
ATOM   781  N N   . GLN   A 1 90  ? -43.418 -18.223 -30.524 1.00 16.03 ? 96  GLN   B N   1 
ATOM   782  C CA  . GLN   A 1 90  ? -43.161 -18.444 -29.099 1.00 17.38 ? 96  GLN   B CA  1 
ATOM   783  C C   . GLN   A 1 90  ? -42.099 -19.519 -28.916 1.00 17.50 ? 96  GLN   B C   1 
ATOM   784  O O   . GLN   A 1 90  ? -42.012 -20.453 -29.728 1.00 18.46 ? 96  GLN   B O   1 
ATOM   785  C CB  . GLN   A 1 90  ? -44.443 -18.897 -28.397 1.00 20.57 ? 96  GLN   B CB  1 
ATOM   786  C CG  . GLN   A 1 90  ? -45.483 -17.806 -28.405 1.00 27.46 ? 96  GLN   B CG  1 
ATOM   787  C CD  . GLN   A 1 90  ? -46.826 -18.345 -28.017 1.00 36.37 ? 96  GLN   B CD  1 
ATOM   788  O OE1 . GLN   A 1 90  ? -47.202 -18.293 -26.849 1.00 45.45 ? 96  GLN   B OE1 1 
ATOM   789  N NE2 . GLN   A 1 90  ? -47.517 -18.915 -28.996 1.00 41.10 ? 96  GLN   B NE2 1 
ATOM   790  N N   . PHE   A 1 91  ? -41.241 -19.331 -27.917 1.00 14.86 ? 97  PHE   B N   1 
ATOM   791  C CA  . PHE   A 1 91  ? -40.218 -20.327 -27.551 1.00 14.23 ? 97  PHE   B CA  1 
ATOM   792  C C   . PHE   A 1 91  ? -39.724 -20.054 -26.145 1.00 14.47 ? 97  PHE   B C   1 
ATOM   793  O O   . PHE   A 1 91  ? -39.864 -18.937 -25.625 1.00 15.45 ? 97  PHE   B O   1 
ATOM   794  C CB  . PHE   A 1 91  ? -39.033 -20.290 -28.520 1.00 14.05 ? 97  PHE   B CB  1 
ATOM   795  C CG  . PHE   A 1 91  ? -38.394 -18.924 -28.668 1.00 13.37 ? 97  PHE   B CG  1 
ATOM   796  C CD1 . PHE   A 1 91  ? -37.392 -18.502 -27.796 1.00 13.86 ? 97  PHE   B CD1 1 
ATOM   797  C CD2 . PHE   A 1 91  ? -38.754 -18.070 -29.698 1.00 13.75 ? 97  PHE   B CD2 1 
ATOM   798  C CE1 . PHE   A 1 91  ? -36.784 -17.264 -27.937 1.00 12.78 ? 97  PHE   B CE1 1 
ATOM   799  C CE2 . PHE   A 1 91  ? -38.153 -16.826 -29.840 1.00 13.45 ? 97  PHE   B CE2 1 
ATOM   800  C CZ  . PHE   A 1 91  ? -37.156 -16.437 -28.965 1.00 13.48 ? 97  PHE   B CZ  1 
ATOM   801  N N   A SER   A 1 92  ? -39.161 -21.067 -25.489 0.25 14.46 ? 98  SER   B N   1 
ATOM   802  N N   B SER   A 1 92  ? -39.120 -21.089 -25.564 0.25 13.77 ? 98  SER   B N   1 
ATOM   803  C CA  A SER   A 1 92  ? -38.524 -20.895 -24.161 0.25 14.82 ? 98  SER   B CA  1 
ATOM   804  C CA  B SER   A 1 92  ? -38.469 -21.069 -24.235 0.25 13.79 ? 98  SER   B CA  1 
ATOM   805  C C   A SER   A 1 92  ? -37.012 -20.779 -24.335 0.25 13.29 ? 98  SER   B C   1 
ATOM   806  C C   B SER   A 1 92  ? -36.983 -20.738 -24.404 0.25 12.60 ? 98  SER   B C   1 
ATOM   807  O O   A SER   A 1 92  ? -36.432 -21.403 -25.243 0.25 12.82 ? 98  SER   B O   1 
ATOM   808  O O   B SER   A 1 92  ? -36.383 -21.120 -25.451 0.25 12.10 ? 98  SER   B O   1 
ATOM   809  C CB  A SER   A 1 92  ? -38.840 -22.003 -23.216 0.25 16.78 ? 98  SER   B CB  1 
ATOM   810  C CB  B SER   A 1 92  ? -38.665 -22.384 -23.533 0.25 14.51 ? 98  SER   B CB  1 
ATOM   811  O OG  A SER   A 1 92  ? -38.534 -23.240 -23.825 0.25 19.65 ? 98  SER   B OG  1 
ATOM   812  O OG  B SER   A 1 92  ? -40.039 -22.557 -23.181 0.25 16.30 ? 98  SER   B OG  1 
ATOM   813  N N   . LEU   A 1 93  ? -36.412 -20.035 -23.421 1.00 12.54 ? 99  LEU   B N   1 
ATOM   814  C CA  . LEU   A 1 93  ? -34.965 -19.866 -23.353 1.00 12.68 ? 99  LEU   B CA  1 
ATOM   815  C C   . LEU   A 1 93  ? -34.379 -21.060 -22.661 1.00 12.45 ? 99  LEU   B C   1 
ATOM   816  O O   . LEU   A 1 93  ? -34.481 -21.231 -21.455 1.00 14.73 ? 99  LEU   B O   1 
ATOM   817  C CB  . LEU   A 1 93  ? -34.584 -18.599 -22.599 1.00 12.75 ? 99  LEU   B CB  1 
ATOM   818  C CG  . LEU   A 1 93  ? -35.092 -17.311 -23.225 1.00 14.04 ? 99  LEU   B CG  1 
ATOM   819  C CD1 . LEU   A 1 93  ? -34.723 -16.096 -22.364 1.00 14.53 ? 99  LEU   B CD1 1 
ATOM   820  C CD2 . LEU   A 1 93  ? -34.568 -17.104 -24.634 1.00 15.32 ? 99  LEU   B CD2 1 
ATOM   821  N N   . SER   A 1 94  ? -33.685 -21.915 -23.411 1.00 11.21 ? 100 SER   B N   1 
ATOM   822  C CA  . SER   A 1 94  ? -33.095 -23.156 -22.865 1.00 11.74 ? 100 SER   B CA  1 
ATOM   823  C C   . SER   A 1 94  ? -31.876 -23.529 -23.700 1.00 10.54 ? 100 SER   B C   1 
ATOM   824  O O   . SER   A 1 94  ? -31.865 -23.211 -24.890 1.00 10.36 ? 100 SER   B O   1 
ATOM   825  C CB  . SER   A 1 94  ? -34.073 -24.330 -22.866 1.00 13.07 ? 100 SER   B CB  1 
ATOM   826  O OG  . SER   A 1 94  ? -34.412 -24.679 -24.193 1.00 16.14 ? 100 SER   B OG  1 
ATOM   827  N N   . PRO   A 1 95  ? -30.941 -24.304 -23.181 1.00 10.55 ? 101 PRO   B N   1 
ATOM   828  C CA  . PRO   A 1 95  ? -29.855 -24.813 -24.020 1.00 12.11 ? 101 PRO   B CA  1 
ATOM   829  C C   . PRO   A 1 95  ? -30.366 -25.696 -25.159 1.00 11.44 ? 101 PRO   B C   1 
ATOM   830  O O   . PRO   A 1 95  ? -29.790 -25.588 -26.278 1.00 11.68 ? 101 PRO   B O   1 
ATOM   831  C CB  . PRO   A 1 95  ? -28.962 -25.595 -23.043 1.00 12.17 ? 101 PRO   B CB  1 
ATOM   832  C CG  . PRO   A 1 95  ? -29.211 -24.861 -21.718 1.00 13.25 ? 101 PRO   B CG  1 
ATOM   833  C CD  . PRO   A 1 95  ? -30.691 -24.563 -21.762 1.00 12.16 ? 101 PRO   B CD  1 
ATOM   834  N N   . GLU   A 1 96  ? -31.432 -26.446 -24.975 1.00 12.25 ? 102 GLU   B N   1 
ATOM   835  C CA  . GLU   A 1 96  ? -32.012 -27.266 -26.058 1.00 14.60 ? 102 GLU   B CA  1 
ATOM   836  C C   . GLU   A 1 96  ? -32.411 -26.375 -27.229 1.00 14.01 ? 102 GLU   B C   1 
ATOM   837  O O   . GLU   A 1 96  ? -32.373 -26.816 -28.402 1.00 14.83 ? 102 GLU   B O   1 
ATOM   838  C CB  . GLU   A 1 96  ? -33.185 -28.065 -25.504 1.00 18.61 ? 102 GLU   B CB  1 
ATOM   839  C CG  . GLU   A 1 96  ? -32.795 -28.939 -24.334 1.00 26.60 ? 102 GLU   B CG  1 
ATOM   840  C CD  . GLU   A 1 96  ? -33.148 -28.412 -22.945 1.00 30.65 ? 102 GLU   B CD  1 
ATOM   841  O OE1 . GLU   A 1 96  ? -32.371 -27.557 -22.352 1.00 20.35 ? 102 GLU   B OE1 1 
ATOM   842  O OE2 . GLU   A 1 96  ? -34.206 -28.898 -22.431 1.00 38.82 ? 102 GLU   B OE2 1 
ATOM   843  N N   . ASN   A 1 97  ? -32.870 -25.145 -26.978 1.00 11.89 ? 103 ASN   B N   1 
ATOM   844  C CA  . ASN   A 1 97  ? -33.270 -24.211 -28.042 1.00 12.03 ? 103 ASN   B CA  1 
ATOM   845  C C   . ASN   A 1 97  ? -32.123 -23.286 -28.445 1.00 10.78 ? 103 ASN   B C   1 
ATOM   846  O O   . ASN   A 1 97  ? -32.325 -22.429 -29.314 1.00 12.00 ? 103 ASN   B O   1 
ATOM   847  C CB  . ASN   A 1 97  ? -34.483 -23.371 -27.618 1.00 13.24 ? 103 ASN   B CB  1 
ATOM   848  C CG  . ASN   A 1 97  ? -35.766 -24.151 -27.600 1.00 14.96 ? 103 ASN   B CG  1 
ATOM   849  O OD1 . ASN   A 1 97  ? -35.879 -25.230 -28.205 1.00 18.47 ? 103 ASN   B OD1 1 
ATOM   850  N ND2 . ASN   A 1 97  ? -36.743 -23.677 -26.846 1.00 16.49 ? 103 ASN   B ND2 1 
ATOM   851  N N   . GLY   A 1 98  ? -30.906 -23.468 -27.943 1.00 9.66  ? 104 GLY   B N   1 
ATOM   852  C CA  . GLY   A 1 98  ? -29.746 -22.686 -28.362 1.00 9.50  ? 104 GLY   B CA  1 
ATOM   853  C C   . GLY   A 1 98  ? -29.472 -21.423 -27.559 1.00 8.23  ? 104 GLY   B C   1 
ATOM   854  O O   . GLY   A 1 98  ? -28.835 -20.534 -28.062 1.00 9.10  ? 104 GLY   B O   1 
ATOM   855  N N   . PHE   A 1 99  ? -29.937 -21.373 -26.282 1.00 8.64  ? 105 PHE   B N   1 
ATOM   856  C CA  . PHE   A 1 99  ? -29.736 -20.183 -25.400 1.00 8.37  ? 105 PHE   B CA  1 
ATOM   857  C C   . PHE   A 1 99  ? -29.043 -20.549 -24.089 1.00 7.84  ? 105 PHE   B C   1 
ATOM   858  O O   . PHE   A 1 99  ? -29.484 -21.530 -23.474 1.00 9.20  ? 105 PHE   B O   1 
ATOM   859  C CB  . PHE   A 1 99  ? -31.088 -19.536 -25.068 1.00 8.83  ? 105 PHE   B CB  1 
ATOM   860  C CG  . PHE   A 1 99  ? -31.880 -19.010 -26.245 1.00 9.18  ? 105 PHE   B CG  1 
ATOM   861  C CD1 . PHE   A 1 99  ? -32.795 -19.812 -26.909 1.00 10.03 ? 105 PHE   B CD1 1 
ATOM   862  C CD2 . PHE   A 1 99  ? -31.734 -17.719 -26.684 1.00 9.43  ? 105 PHE   B CD2 1 
ATOM   863  C CE1 . PHE   A 1 99  ? -33.530 -19.338 -27.998 1.00 10.53 ? 105 PHE   B CE1 1 
ATOM   864  C CE2 . PHE   A 1 99  ? -32.467 -17.255 -27.760 1.00 10.48 ? 105 PHE   B CE2 1 
ATOM   865  C CZ  . PHE   A 1 99  ? -33.367 -18.054 -28.405 1.00 10.12 ? 105 PHE   B CZ  1 
ATOM   866  N N   . TRP   A 1 100 ? -28.104 -19.726 -23.673 1.00 7.57  ? 106 TRP   B N   1 
ATOM   867  C CA  . TRP   A 1 100 ? -27.436 -19.816 -22.350 1.00 8.06  ? 106 TRP   B CA  1 
ATOM   868  C C   . TRP   A 1 100 ? -27.584 -18.451 -21.677 1.00 7.38  ? 106 TRP   B C   1 
ATOM   869  O O   . TRP   A 1 100 ? -26.864 -17.519 -21.997 1.00 8.02  ? 106 TRP   B O   1 
ATOM   870  C CB  . TRP   A 1 100 ? -25.978 -20.268 -22.498 1.00 8.05  ? 106 TRP   B CB  1 
ATOM   871  C CG  . TRP   A 1 100 ? -25.872 -21.635 -23.120 1.00 8.21  ? 106 TRP   B CG  1 
ATOM   872  C CD1 . TRP   A 1 100 ? -25.795 -22.845 -22.492 1.00 9.27  ? 106 TRP   B CD1 1 
ATOM   873  C CD2 . TRP   A 1 100 ? -25.892 -21.958 -24.535 1.00 8.63  ? 106 TRP   B CD2 1 
ATOM   874  N NE1 . TRP   A 1 100 ? -25.846 -23.890 -23.395 1.00 9.40  ? 106 TRP   B NE1 1 
ATOM   875  C CE2 . TRP   A 1 100 ? -25.871 -23.363 -24.654 1.00 9.72  ? 106 TRP   B CE2 1 
ATOM   876  C CE3 . TRP   A 1 100 ? -25.962 -21.197 -25.713 1.00 9.03  ? 106 TRP   B CE3 1 
ATOM   877  C CZ2 . TRP   A 1 100 ? -25.936 -23.986 -25.912 1.00 10.54 ? 106 TRP   B CZ2 1 
ATOM   878  C CZ3 . TRP   A 1 100 ? -26.008 -21.838 -26.947 1.00 10.54 ? 106 TRP   B CZ3 1 
ATOM   879  C CH2 . TRP   A 1 100 ? -26.024 -23.201 -27.020 1.00 11.03 ? 106 TRP   B CH2 1 
ATOM   880  N N   . THR   A 1 101 ? -28.578 -18.363 -20.787 1.00 7.47  ? 107 THR   B N   1 
ATOM   881  C CA  . THR   A 1 101 ? -29.113 -17.073 -20.314 1.00 7.85  ? 107 THR   B CA  1 
ATOM   882  C C   . THR   A 1 101 ? -29.445 -17.141 -18.815 1.00 7.49  ? 107 THR   B C   1 
ATOM   883  O O   . THR   A 1 101 ? -29.716 -18.210 -18.277 1.00 7.82  ? 107 THR   B O   1 
ATOM   884  C CB  . THR   A 1 101 ? -30.363 -16.636 -21.084 1.00 8.37  ? 107 THR   B CB  1 
ATOM   885  O OG1 . THR   A 1 101 ? -31.436 -17.538 -20.871 1.00 9.30  ? 107 THR   B OG1 1 
ATOM   886  C CG2 . THR   A 1 101 ? -30.090 -16.423 -22.561 1.00 8.42  ? 107 THR   B CG2 1 
ATOM   887  N N   . ILE   A 1 102 ? -29.496 -15.958 -18.231 1.00 7.48  ? 108 ILE   B N   1 
ATOM   888  C CA  . ILE   A 1 102 ? -30.143 -15.729 -16.894 1.00 7.64  ? 108 ILE   B CA  1 
ATOM   889  C C   . ILE   A 1 102 ? -31.154 -14.604 -17.076 1.00 7.51  ? 108 ILE   B C   1 
ATOM   890  O O   . ILE   A 1 102 ? -31.084 -13.822 -18.066 1.00 8.32  ? 108 ILE   B O   1 
ATOM   891  C CB  . ILE   A 1 102 ? -29.135 -15.433 -15.771 1.00 8.07  ? 108 ILE   B CB  1 
ATOM   892  C CG1 . ILE   A 1 102 ? -28.436 -14.087 -15.951 1.00 9.00  ? 108 ILE   B CG1 1 
ATOM   893  C CG2 . ILE   A 1 102 ? -28.129 -16.569 -15.657 1.00 8.55  ? 108 ILE   B CG2 1 
ATOM   894  C CD1 . ILE   A 1 102 ? -27.620 -13.609 -14.759 1.00 10.10 ? 108 ILE   B CD1 1 
ATOM   895  N N   . TRP   A 1 103 ? -32.015 -14.456 -16.094 1.00 7.86  ? 109 TRP   B N   1 
ATOM   896  C CA  . TRP   A 1 103 ? -33.028 -13.395 -16.145 1.00 8.72  ? 109 TRP   B CA  1 
ATOM   897  C C   . TRP   A 1 103 ? -33.430 -12.923 -14.779 1.00 8.74  ? 109 TRP   B C   1 
ATOM   898  O O   . TRP   A 1 103 ? -33.264 -13.609 -13.751 1.00 9.10  ? 109 TRP   B O   1 
ATOM   899  C CB  . TRP   A 1 103 ? -34.215 -13.811 -16.958 1.00 10.63 ? 109 TRP   B CB  1 
ATOM   900  C CG  . TRP   A 1 103 ? -34.994 -14.943 -16.444 1.00 12.74 ? 109 TRP   B CG  1 
ATOM   901  C CD1 . TRP   A 1 103 ? -35.873 -14.974 -15.397 1.00 13.33 ? 109 TRP   B CD1 1 
ATOM   902  C CD2 . TRP   A 1 103 ? -35.099 -16.204 -17.089 1.00 12.55 ? 109 TRP   B CD2 1 
ATOM   903  N NE1 . TRP   A 1 103 ? -36.509 -16.181 -15.357 1.00 15.50 ? 109 TRP   B NE1 1 
ATOM   904  C CE2 . TRP   A 1 103 ? -36.057 -16.964 -16.378 1.00 13.53 ? 109 TRP   B CE2 1 
ATOM   905  C CE3 . TRP   A 1 103 ? -34.484 -16.765 -18.200 1.00 14.13 ? 109 TRP   B CE3 1 
ATOM   906  C CZ2 . TRP   A 1 103 ? -36.388 -18.274 -16.739 1.00 16.84 ? 109 TRP   B CZ2 1 
ATOM   907  C CZ3 . TRP   A 1 103 ? -34.828 -18.034 -18.573 1.00 15.84 ? 109 TRP   B CZ3 1 
ATOM   908  C CH2 . TRP   A 1 103 ? -35.763 -18.760 -17.861 1.00 15.37 ? 109 TRP   B CH2 1 
ATOM   909  N N   . LEU   A 1 104 ? -34.029 -11.723 -14.778 1.00 8.21  ? 110 LEU   B N   1 
ATOM   910  C CA  . LEU   A 1 104 ? -34.822 -11.175 -13.661 1.00 8.51  ? 110 LEU   B CA  1 
ATOM   911  C C   . LEU   A 1 104 ? -36.268 -11.117 -14.093 1.00 8.74  ? 110 LEU   B C   1 
ATOM   912  O O   . LEU   A 1 104 ? -36.583 -10.639 -15.177 1.00 9.25  ? 110 LEU   B O   1 
ATOM   913  C CB  . LEU   A 1 104 ? -34.352 -9.779  -13.345 1.00 9.22  ? 110 LEU   B CB  1 
ATOM   914  C CG  . LEU   A 1 104 ? -35.202 -9.004  -12.339 1.00 10.01 ? 110 LEU   B CG  1 
ATOM   915  C CD1 . LEU   A 1 104 ? -35.231 -9.646  -10.958 1.00 10.50 ? 110 LEU   B CD1 1 
ATOM   916  C CD2 . LEU   A 1 104 ? -34.745 -7.579  -12.244 1.00 11.38 ? 110 LEU   B CD2 1 
ATOM   917  N N   . TRP   A 1 105 ? -37.163 -11.593 -13.224 1.00 10.26 ? 111 TRP   B N   1 
ATOM   918  C CA  . TRP   A 1 105 ? -38.617 -11.597 -13.470 1.00 11.31 ? 111 TRP   B CA  1 
ATOM   919  C C   . TRP   A 1 105 ? -39.326 -11.648 -12.126 1.00 12.69 ? 111 TRP   B C   1 
ATOM   920  O O   . TRP   A 1 105 ? -39.037 -12.549 -11.318 1.00 12.93 ? 111 TRP   B O   1 
ATOM   921  C CB  . TRP   A 1 105 ? -38.974 -12.808 -14.323 1.00 15.63 ? 111 TRP   B CB  1 
ATOM   922  C CG  . TRP   A 1 105 ? -40.422 -13.076 -14.428 1.00 18.66 ? 111 TRP   B CG  1 
ATOM   923  C CD1 . TRP   A 1 105 ? -41.186 -14.083 -13.891 1.00 19.34 ? 111 TRP   B CD1 1 
ATOM   924  C CD2 . TRP   A 1 105 ? -41.279 -12.283 -15.236 1.00 19.53 ? 111 TRP   B CD2 1 
ATOM   925  N NE1 . TRP   A 1 105 ? -42.468 -13.932 -14.304 1.00 20.40 ? 111 TRP   B NE1 1 
ATOM   926  C CE2 . TRP   A 1 105 ? -42.564 -12.834 -15.125 1.00 18.58 ? 111 TRP   B CE2 1 
ATOM   927  C CE3 . TRP   A 1 105 ? -41.095 -11.156 -16.044 1.00 18.08 ? 111 TRP   B CE3 1 
ATOM   928  C CZ2 . TRP   A 1 105 ? -43.676 -12.306 -15.778 1.00 21.92 ? 111 TRP   B CZ2 1 
ATOM   929  C CZ3 . TRP   A 1 105 ? -42.202 -10.603 -16.659 1.00 22.81 ? 111 TRP   B CZ3 1 
ATOM   930  C CH2 . TRP   A 1 105 ? -43.476 -11.163 -16.530 1.00 22.35 ? 111 TRP   B CH2 1 
ATOM   931  N N   . GLN   A 1 106 ? -40.213 -10.675 -11.860 1.00 11.58 ? 112 GLN   B N   1 
ATOM   932  C CA  . GLN   A 1 106 ? -41.072 -10.707 -10.639 1.00 12.15 ? 112 GLN   B CA  1 
ATOM   933  C C   . GLN   A 1 106 ? -40.180 -10.903 -9.446  1.00 12.70 ? 112 GLN   B C   1 
ATOM   934  O O   . GLN   A 1 106 ? -40.550 -11.737 -8.549  1.00 14.94 ? 112 GLN   B O   1 
ATOM   935  C CB  . GLN   A 1 106 ? -42.167 -11.752 -10.787 1.00 13.65 ? 112 GLN   B CB  1 
ATOM   936  C CG  . GLN   A 1 106 ? -43.082 -11.425 -11.943 1.00 15.38 ? 112 GLN   B CG  1 
ATOM   937  C CD  . GLN   A 1 106 ? -44.355 -12.238 -12.003 1.00 17.05 ? 112 GLN   B CD  1 
ATOM   938  O OE1 . GLN   A 1 106 ? -45.294 -11.881 -12.728 1.00 20.09 ? 112 GLN   B OE1 1 
ATOM   939  N NE2 . GLN   A 1 106 ? -44.433 -13.303 -11.218 1.00 16.02 ? 112 GLN   B NE2 1 
ATOM   940  N N   . ASP   A 1 107 ? -39.187 -10.082 -9.308  1.00 13.43 ? 113 ASP   B N   1 
ATOM   941  C CA  . ASP   A 1 107 ? -38.390 -9.961  -8.090  1.00 16.29 ? 113 ASP   B CA  1 
ATOM   942  C C   . ASP   A 1 107 ? -37.589 -11.240 -7.790  1.00 18.29 ? 113 ASP   B C   1 
ATOM   943  O O   . ASP   A 1 107 ? -37.091 -11.343 -6.650  1.00 25.45 ? 113 ASP   B O   1 
ATOM   944  C CB  . ASP   A 1 107 ? -39.382 -9.642  -6.967  1.00 19.51 ? 113 ASP   B CB  1 
ATOM   945  C CG  . ASP   A 1 107 ? -38.722 -9.110  -5.745  1.00 25.42 ? 113 ASP   B CG  1 
ATOM   946  O OD1 . ASP   A 1 107 ? -37.772 -8.294  -5.873  1.00 28.38 ? 113 ASP   B OD1 1 
ATOM   947  O OD2 . ASP   A 1 107 ? -39.216 -9.489  -4.655  1.00 30.18 ? 113 ASP   B OD2 1 
ATOM   948  N N   . SER   A 1 108 ? -37.371 -12.120 -8.763  1.00 14.01 ? 114 SER   B N   1 
ATOM   949  C CA  . SER   A 1 108 ? -36.493 -13.313 -8.597  1.00 15.11 ? 114 SER   B CA  1 
ATOM   950  C C   . SER   A 1 108 ? -35.571 -13.416 -9.812  1.00 12.25 ? 114 SER   B C   1 
ATOM   951  O O   . SER   A 1 108 ? -35.961 -13.091 -10.982 1.00 12.66 ? 114 SER   B O   1 
ATOM   952  C CB  . SER   A 1 108 ? -37.322 -14.523 -8.262  1.00 18.02 ? 114 SER   B CB  1 
ATOM   953  O OG  . SER   A 1 108 ? -37.938 -15.081 -9.379  1.00 27.00 ? 114 SER   B OG  1 
ATOM   954  N N   . TYR   A 1 109 ? -34.395 -13.944 -9.577  1.00 10.80 ? 115 TYR   B N   1 
ATOM   955  C CA  . TYR   A 1 109 ? -33.370 -14.234 -10.607 1.00 9.98  ? 115 TYR   B CA  1 
ATOM   956  C C   . TYR   A 1 109 ? -33.334 -15.722 -10.869 1.00 9.77  ? 115 TYR   B C   1 
ATOM   957  O O   . TYR   A 1 109 ? -33.340 -16.534 -9.902  1.00 10.68 ? 115 TYR   B O   1 
ATOM   958  C CB  . TYR   A 1 109 ? -32.023 -13.712 -10.150 1.00 10.80 ? 115 TYR   B CB  1 
ATOM   959  C CG  . TYR   A 1 109 ? -31.963 -12.204 -9.926  1.00 10.95 ? 115 TYR   B CG  1 
ATOM   960  C CD1 . TYR   A 1 109 ? -32.214 -11.644 -8.677  1.00 11.74 ? 115 TYR   B CD1 1 
ATOM   961  C CD2 . TYR   A 1 109 ? -31.595 -11.345 -10.935 1.00 10.45 ? 115 TYR   B CD2 1 
ATOM   962  C CE1 . TYR   A 1 109 ? -32.120 -10.274 -8.468  1.00 12.33 ? 115 TYR   B CE1 1 
ATOM   963  C CE2 . TYR   A 1 109 ? -31.526 -9.973  -10.758 1.00 10.97 ? 115 TYR   B CE2 1 
ATOM   964  C CZ  . TYR   A 1 109 ? -31.754 -9.446  -9.506  1.00 11.00 ? 115 TYR   B CZ  1 
ATOM   965  O OH  . TYR   A 1 109 ? -31.758 -8.085  -9.266  1.00 12.42 ? 115 TYR   B OH  1 
ATOM   966  N N   A GLU   A 1 110 ? -33.293 -16.112 -12.145 0.25 9.46  ? 116 GLU   B N   1 
ATOM   967  N N   B GLU   A 1 110 ? -33.368 -16.114 -12.149 0.25 9.66  ? 116 GLU   B N   1 
ATOM   968  C CA  A GLU   A 1 110 ? -33.284 -17.544 -12.528 0.25 9.72  ? 116 GLU   B CA  1 
ATOM   969  C CA  B GLU   A 1 110 ? -33.336 -17.532 -12.586 0.25 10.09 ? 116 GLU   B CA  1 
ATOM   970  C C   A GLU   A 1 110 ? -32.363 -17.775 -13.727 0.25 8.56  ? 116 GLU   B C   1 
ATOM   971  C C   B GLU   A 1 110 ? -32.256 -17.715 -13.663 0.25 8.71  ? 116 GLU   B C   1 
ATOM   972  O O   A GLU   A 1 110 ? -32.258 -16.927 -14.614 0.25 8.22  ? 116 GLU   B O   1 
ATOM   973  O O   B GLU   A 1 110 ? -31.890 -16.731 -14.381 0.25 8.34  ? 116 GLU   B O   1 
ATOM   974  C CB  A GLU   A 1 110 ? -34.694 -18.030 -12.840 0.25 11.09 ? 116 GLU   B CB  1 
ATOM   975  C CB  B GLU   A 1 110 ? -34.698 -17.967 -13.124 0.25 11.79 ? 116 GLU   B CB  1 
ATOM   976  C CG  A GLU   A 1 110 ? -35.663 -17.881 -11.669 0.25 12.80 ? 116 GLU   B CG  1 
ATOM   977  C CG  B GLU   A 1 110 ? -35.832 -17.870 -12.107 0.25 14.31 ? 116 GLU   B CG  1 
ATOM   978  C CD  A GLU   A 1 110 ? -37.088 -18.270 -12.022 0.25 13.91 ? 116 GLU   B CD  1 
ATOM   979  C CD  B GLU   A 1 110 ? -35.968 -19.062 -11.168 0.25 15.21 ? 116 GLU   B CD  1 
ATOM   980  O OE1 A GLU   A 1 110 ? -37.534 -17.929 -13.128 0.25 16.68 ? 116 GLU   B OE1 1 
ATOM   981  O OE1 B GLU   A 1 110 ? -35.488 -20.164 -11.517 0.25 19.66 ? 116 GLU   B OE1 1 
ATOM   982  O OE2 A GLU   A 1 110 ? -37.752 -18.914 -11.189 0.25 15.29 ? 116 GLU   B OE2 1 
ATOM   983  O OE2 B GLU   A 1 110 ? -36.584 -18.898 -10.102 0.25 20.54 ? 116 GLU   B OE2 1 
ATOM   984  N N   . ALA   A 1 111 ? -31.741 -18.953 -13.764 1.00 8.77  ? 117 ALA   B N   1 
ATOM   985  C CA  . ALA   A 1 111 ? -30.979 -19.395 -14.949 1.00 8.90  ? 117 ALA   B CA  1 
ATOM   986  C C   . ALA   A 1 111 ? -31.907 -20.117 -15.893 1.00 8.98  ? 117 ALA   B C   1 
ATOM   987  O O   . ALA   A 1 111 ? -32.764 -20.919 -15.475 1.00 9.66  ? 117 ALA   B O   1 
ATOM   988  C CB  . ALA   A 1 111 ? -29.803 -20.281 -14.576 1.00 8.93  ? 117 ALA   B CB  1 
ATOM   989  N N   . GLY   A 1 112 ? -31.717 -19.874 -17.199 1.00 9.05  ? 118 GLY   B N   1 
ATOM   990  C CA  . GLY   A 1 112 ? -32.523 -20.456 -18.271 1.00 10.46 ? 118 GLY   B CA  1 
ATOM   991  C C   . GLY   A 1 112 ? -32.141 -21.877 -18.591 1.00 10.30 ? 118 GLY   B C   1 
ATOM   992  O O   . GLY   A 1 112 ? -31.864 -22.254 -19.715 1.00 12.60 ? 118 GLY   B O   1 
ATOM   993  N N   . THR   A 1 113 ? -32.092 -22.767 -17.616 1.00 12.69 ? 119 THR   B N   1 
ATOM   994  C CA  . THR   A 1 113 ? -32.104 -24.222 -17.826 1.00 13.83 ? 119 THR   B CA  1 
ATOM   995  C C   . THR   A 1 113 ? -33.533 -24.685 -18.082 1.00 13.81 ? 119 THR   B C   1 
ATOM   996  O O   . THR   A 1 113 ? -34.459 -23.903 -17.909 1.00 15.92 ? 119 THR   B O   1 
ATOM   997  C CB  . THR   A 1 113 ? -31.521 -24.841 -16.578 1.00 12.07 ? 119 THR   B CB  1 
ATOM   998  O OG1 . THR   A 1 113 ? -32.232 -24.400 -15.396 1.00 11.69 ? 119 THR   B OG1 1 
ATOM   999  C CG2 . THR   A 1 113 ? -30.078 -24.524 -16.397 1.00 13.53 ? 119 THR   B CG2 1 
ATOM   1000 N N   . SER   A 1 114 ? -33.741 -25.964 -18.408 1.00 17.51 ? 120 SER   B N   1 
ATOM   1001 C CA  . SER   A 1 114 ? -35.107 -26.507 -18.563 1.00 20.12 ? 120 SER   B CA  1 
ATOM   1002 C C   . SER   A 1 114 ? -35.280 -27.716 -17.640 1.00 21.55 ? 120 SER   B C   1 
ATOM   1003 O O   . SER   A 1 114 ? -34.624 -28.742 -17.817 1.00 23.69 ? 120 SER   B O   1 
ATOM   1004 C CB  . SER   A 1 114 ? -35.415 -26.824 -20.027 1.00 24.64 ? 120 SER   B CB  1 
ATOM   1005 O OG  . SER   A 1 114 ? -36.758 -27.307 -20.166 1.00 28.49 ? 120 SER   B OG  1 
ATOM   1006 N N   . PRO   A 1 115 ? -36.048 -27.594 -16.535 1.00 19.34 ? 121 PRO   B N   1 
ATOM   1007 C CA  . PRO   A 1 115 ? -36.720 -26.367 -16.125 1.00 19.34 ? 121 PRO   B CA  1 
ATOM   1008 C C   . PRO   A 1 115 ? -35.736 -25.352 -15.509 1.00 14.92 ? 121 PRO   B C   1 
ATOM   1009 O O   . PRO   A 1 115 ? -34.603 -25.672 -15.256 1.00 14.38 ? 121 PRO   B O   1 
ATOM   1010 C CB  . PRO   A 1 115 ? -37.733 -26.852 -15.088 1.00 22.45 ? 121 PRO   B CB  1 
ATOM   1011 C CG  . PRO   A 1 115 ? -37.021 -27.992 -14.433 1.00 22.33 ? 121 PRO   B CG  1 
ATOM   1012 C CD  . PRO   A 1 115 ? -36.239 -28.675 -15.545 1.00 21.78 ? 121 PRO   B CD  1 
ATOM   1013 N N   . GLN   A 1 116 ? -36.188 -24.129 -15.320 1.00 14.04 ? 122 GLN   B N   1 
ATOM   1014 C CA  . GLN   A 1 116 ? -35.321 -23.026 -14.844 1.00 13.28 ? 122 GLN   B CA  1 
ATOM   1015 C C   . GLN   A 1 116 ? -34.790 -23.280 -13.425 1.00 11.48 ? 122 GLN   B C   1 
ATOM   1016 O O   . GLN   A 1 116 ? -35.428 -24.023 -12.650 1.00 13.10 ? 122 GLN   B O   1 
ATOM   1017 C CB  . GLN   A 1 116 ? -36.010 -21.665 -14.954 1.00 17.07 ? 122 GLN   B CB  1 
ATOM   1018 C CG  . GLN   A 1 116 ? -37.101 -21.414 -13.940 1.00 23.80 ? 122 GLN   B CG  1 
ATOM   1019 C CD  . GLN   A 1 116 ? -38.487 -21.642 -14.483 1.00 32.48 ? 122 GLN   B CD  1 
ATOM   1020 O OE1 . GLN   A 1 116 ? -38.756 -22.607 -15.204 1.00 37.48 ? 122 GLN   B OE1 1 
ATOM   1021 N NE2 . GLN   A 1 116 ? -39.394 -20.765 -14.084 1.00 39.55 ? 122 GLN   B NE2 1 
ATOM   1022 N N   . THR   A 1 117 ? -33.669 -22.679 -13.122 1.00 10.22 ? 123 THR   B N   1 
ATOM   1023 C CA  . THR   A 1 117 ? -32.977 -22.864 -11.832 1.00 10.38 ? 123 THR   B CA  1 
ATOM   1024 C C   . THR   A 1 117 ? -32.991 -21.555 -11.060 1.00 10.39 ? 123 THR   B C   1 
ATOM   1025 O O   . THR   A 1 117 ? -32.532 -20.523 -11.560 1.00 11.54 ? 123 THR   B O   1 
ATOM   1026 C CB  . THR   A 1 117 ? -31.550 -23.345 -12.095 1.00 10.33 ? 123 THR   B CB  1 
ATOM   1027 O OG1 . THR   A 1 117 ? -31.573 -24.579 -12.814 1.00 11.43 ? 123 THR   B OG1 1 
ATOM   1028 C CG2 . THR   A 1 117 ? -30.810 -23.530 -10.798 1.00 11.81 ? 123 THR   B CG2 1 
ATOM   1029 N N   . THR   A 1 118 ? -33.393 -21.622 -9.793  1.00 10.34 ? 124 THR   B N   1 
ATOM   1030 C CA  . THR   A 1 118 ? -33.343 -20.481 -8.871  1.00 11.35 ? 124 THR   B CA  1 
ATOM   1031 C C   . THR   A 1 118 ? -31.915 -20.013 -8.643  1.00 10.51 ? 124 THR   B C   1 
ATOM   1032 O O   . THR   A 1 118 ? -31.002 -20.856 -8.376  1.00 12.74 ? 124 THR   B O   1 
ATOM   1033 C CB  . THR   A 1 118 ? -33.967 -20.921 -7.536  1.00 14.09 ? 124 THR   B CB  1 
ATOM   1034 O OG1 . THR   A 1 118 ? -35.335 -21.240 -7.795  1.00 16.45 ? 124 THR   B OG1 1 
ATOM   1035 C CG2 . THR   A 1 118 ? -33.747 -19.877 -6.464  1.00 16.51 ? 124 THR   B CG2 1 
ATOM   1036 N N   . LEU   A 1 119 ? -31.660 -18.724 -8.733  1.00 9.94  ? 125 LEU   B N   1 
ATOM   1037 C CA  . LEU   A 1 119 ? -30.384 -18.110 -8.408  1.00 9.52  ? 125 LEU   B CA  1 
ATOM   1038 C C   . LEU   A 1 119 ? -30.461 -17.503 -7.000  1.00 11.20 ? 125 LEU   B C   1 
ATOM   1039 O O   . LEU   A 1 119 ? -31.587 -17.258 -6.491  1.00 14.96 ? 125 LEU   B O   1 
ATOM   1040 C CB  . LEU   A 1 119 ? -29.958 -17.045 -9.419  1.00 9.31  ? 125 LEU   B CB  1 
ATOM   1041 C CG  . LEU   A 1 119 ? -29.874 -17.562 -10.847 1.00 8.78  ? 125 LEU   B CG  1 
ATOM   1042 C CD1 . LEU   A 1 119 ? -29.628 -16.431 -11.843 1.00 9.57  ? 125 LEU   B CD1 1 
ATOM   1043 C CD2 . LEU   A 1 119 ? -28.802 -18.628 -11.002 1.00 10.28 ? 125 LEU   B CD2 1 
ATOM   1044 N N   . HIS   A 1 120 ? -29.330 -17.377 -6.352  1.00 10.84 ? 126 HIS   B N   1 
ATOM   1045 C CA  . HIS   A 1 120 ? -29.202 -16.927 -4.933  1.00 11.57 ? 126 HIS   B CA  1 
ATOM   1046 C C   . HIS   A 1 120 ? -28.364 -15.663 -4.973  1.00 12.95 ? 126 HIS   B C   1 
ATOM   1047 O O   . HIS   A 1 120 ? -27.116 -15.703 -5.050  1.00 17.17 ? 126 HIS   B O   1 
ATOM   1048 C CB  . HIS   A 1 120 ? -28.527 -18.021 -4.069  1.00 12.32 ? 126 HIS   B CB  1 
ATOM   1049 C CG  . HIS   A 1 120 ? -29.290 -19.296 -4.041  1.00 12.61 ? 126 HIS   B CG  1 
ATOM   1050 N ND1 . HIS   A 1 120 ? -28.976 -20.375 -4.866  1.00 14.63 ? 126 HIS   B ND1 1 
ATOM   1051 C CD2 . HIS   A 1 120 ? -30.352 -19.672 -3.336  1.00 14.28 ? 126 HIS   B CD2 1 
ATOM   1052 C CE1 . HIS   A 1 120 ? -29.824 -21.348 -4.626  1.00 15.16 ? 126 HIS   B CE1 1 
ATOM   1053 N NE2 . HIS   A 1 120 ? -30.675 -20.969 -3.677  1.00 14.01 ? 126 HIS   B NE2 1 
ATOM   1054 N N   . ILE   A 1 121 ? -29.010 -14.512 -5.015  1.00 14.72 ? 127 ILE   B N   1 
ATOM   1055 C CA  . ILE   A 1 121 ? -28.351 -13.182 -5.162  1.00 17.20 ? 127 ILE   B CA  1 
ATOM   1056 C C   . ILE   A 1 121 ? -28.784 -12.328 -3.940  1.00 17.02 ? 127 ILE   B C   1 
ATOM   1057 O O   . ILE   A 1 121 ? -29.977 -12.081 -3.731  1.00 23.39 ? 127 ILE   B O   1 
ATOM   1058 C CB  . ILE   A 1 121 ? -28.677 -12.541 -6.536  1.00 18.27 ? 127 ILE   B CB  1 
ATOM   1059 C CG1 . ILE   A 1 121 ? -28.196 -13.419 -7.710  1.00 17.05 ? 127 ILE   B CG1 1 
ATOM   1060 C CG2 . ILE   A 1 121 ? -28.121 -11.121 -6.559  1.00 23.23 ? 127 ILE   B CG2 1 
ATOM   1061 C CD1 . ILE   A 1 121 ? -28.430 -12.873 -9.102  1.00 17.12 ? 127 ILE   B CD1 1 
ATOM   1062 N N   . GLN   A 1 122 ? -27.830 -12.009 -3.097  1.00 19.01 ? 128 GLN   B N   1 
ATOM   1063 C CA  . GLN   A 1 122 ? -28.048 -11.188 -1.868  1.00 20.34 ? 128 GLN   B CA  1 
ATOM   1064 C C   . GLN   A 1 122 ? -28.018 -9.696  -2.221  1.00 19.93 ? 128 GLN   B C   1 
ATOM   1065 O O   . GLN   A 1 122 ? -28.796 -8.912  -1.599  1.00 20.89 ? 128 GLN   B O   1 
ATOM   1066 C CB  . GLN   A 1 122 ? -26.950 -11.523 -0.846  1.00 22.44 ? 128 GLN   B CB  1 
ATOM   1067 C CG  . GLN   A 1 122 ? -26.980 -10.701 0.447   1.00 26.55 ? 128 GLN   B CG  1 
ATOM   1068 C CD  . GLN   A 1 122 ? -28.229 -10.915 1.272   1.00 30.14 ? 128 GLN   B CD  1 
ATOM   1069 O OE1 . GLN   A 1 122 ? -28.837 -11.980 1.250   1.00 37.11 ? 128 GLN   B OE1 1 
ATOM   1070 N NE2 . GLN   A 1 122 ? -28.612 -9.903  2.040   1.00 33.56 ? 128 GLN   B NE2 1 
ATOM   1071 N N   . VAL   A 1 123 ? -27.226 -9.310  -3.211  1.00 17.31 ? 129 VAL   B N   1 
ATOM   1072 C CA  . VAL   A 1 123 ? -27.022 -7.886  -3.616  1.00 16.08 ? 129 VAL   B CA  1 
ATOM   1073 C C   . VAL   A 1 123 ? -27.565 -7.708  -5.028  1.00 15.98 ? 129 VAL   B C   1 
ATOM   1074 O O   . VAL   A 1 123 ? -26.926 -8.190  -5.983  1.00 14.71 ? 129 VAL   B O   1 
ATOM   1075 C CB  . VAL   A 1 123 ? -25.541 -7.510  -3.553  1.00 17.71 ? 129 VAL   B CB  1 
ATOM   1076 C CG1 . VAL   A 1 123 ? -25.284 -6.097  -4.097  1.00 19.47 ? 129 VAL   B CG1 1 
ATOM   1077 C CG2 . VAL   A 1 123 ? -25.008 -7.618  -2.127  1.00 19.42 ? 129 VAL   B CG2 1 
ATOM   1078 N N   . PRO   A 1 124 ? -28.782 -7.174  -5.236  1.00 14.13 ? 130 PRO   B N   1 
ATOM   1079 C CA  . PRO   A 1 124 ? -29.313 -7.069  -6.596  1.00 14.69 ? 130 PRO   B CA  1 
ATOM   1080 C C   . PRO   A 1 124 ? -28.323 -6.382  -7.502  1.00 13.94 ? 130 PRO   B C   1 
ATOM   1081 O O   . PRO   A 1 124 ? -27.793 -5.315  -7.225  1.00 14.72 ? 130 PRO   B O   1 
ATOM   1082 C CB  . PRO   A 1 124 ? -30.560 -6.196  -6.419  1.00 17.16 ? 130 PRO   B CB  1 
ATOM   1083 C CG  . PRO   A 1 124 ? -31.024 -6.589  -5.015  1.00 18.11 ? 130 PRO   B CG  1 
ATOM   1084 C CD  . PRO   A 1 124 ? -29.759 -6.710  -4.216  1.00 17.11 ? 130 PRO   B CD  1 
ATOM   1085 N N   . PRO   A 1 125 ? -27.951 -6.993  -8.643  1.00 12.91 ? 131 PRO   B N   1 
ATOM   1086 C CA  . PRO   A 1 125 ? -26.933 -6.409  -9.486  1.00 12.22 ? 131 PRO   B CA  1 
ATOM   1087 C C   . PRO   A 1 125 ? -27.439 -5.205  -10.277 1.00 12.19 ? 131 PRO   B C   1 
ATOM   1088 O O   . PRO   A 1 125 ? -28.532 -5.234  -10.797 1.00 13.09 ? 131 PRO   B O   1 
ATOM   1089 C CB  . PRO   A 1 125 ? -26.512 -7.570  -10.410 1.00 13.07 ? 131 PRO   B CB  1 
ATOM   1090 C CG  . PRO   A 1 125 ? -27.663 -8.497  -10.366 1.00 14.74 ? 131 PRO   B CG  1 
ATOM   1091 C CD  . PRO   A 1 125 ? -28.280 -8.377  -9.011  1.00 13.32 ? 131 PRO   B CD  1 
ATOM   1092 N N   . CYS   A 1 126 ? -26.563 -4.220  -10.407 1.00 11.61 ? 132 CYS   B N   1 
ATOM   1093 C CA  . CYS   A 1 126 ? -26.759 -3.112  -11.369 1.00 11.80 ? 132 CYS   B CA  1 
ATOM   1094 C C   . CYS   A 1 126 ? -25.958 -3.344  -12.651 1.00 11.39 ? 132 CYS   B C   1 
ATOM   1095 O O   . CYS   A 1 126 ? -26.257 -2.751  -13.683 1.00 11.14 ? 132 CYS   B O   1 
ATOM   1096 C CB  . CYS   A 1 126 ? -26.371 -1.778  -10.758 1.00 14.01 ? 132 CYS   B CB  1 
ATOM   1097 S SG  . CYS   A 1 126 ? -27.364 -1.321  -9.312  1.00 21.54 ? 132 CYS   B SG  1 
ATOM   1098 N N   A GLN   A 1 127 ? -24.855 -4.115  -12.598 0.25 11.31 ? 133 GLN   B N   1 
ATOM   1099 N N   B GLN   A 1 127 ? -25.021 -4.287  -12.571 0.25 11.96 ? 133 GLN   B N   1 
ATOM   1100 C CA  A GLN   A 1 127 ? -24.129 -4.555  -13.830 0.25 11.61 ? 133 GLN   B CA  1 
ATOM   1101 C CA  B GLN   A 1 127 ? -24.126 -4.609  -13.700 0.25 13.12 ? 133 GLN   B CA  1 
ATOM   1102 C C   A GLN   A 1 127 ? -23.774 -6.041  -13.706 0.25 10.59 ? 133 GLN   B C   1 
ATOM   1103 C C   B GLN   A 1 127 ? -23.885 -6.117  -13.661 0.25 11.42 ? 133 GLN   B C   1 
ATOM   1104 O O   A GLN   A 1 127 ? -23.344 -6.483  -12.608 0.25 9.48  ? 133 GLN   B O   1 
ATOM   1105 O O   B GLN   A 1 127 ? -23.781 -6.688  -12.551 0.25 10.37 ? 133 GLN   B O   1 
ATOM   1106 C CB  A GLN   A 1 127 ? -22.829 -3.798  -14.144 0.25 12.53 ? 133 GLN   B CB  1 
ATOM   1107 C CB  B GLN   A 1 127 ? -22.857 -3.766  -13.604 0.25 15.51 ? 133 GLN   B CB  1 
ATOM   1108 C CG  A GLN   A 1 127 ? -22.956 -2.290  -14.323 0.25 13.33 ? 133 GLN   B CG  1 
ATOM   1109 C CG  B GLN   A 1 127 ? -23.094 -2.270  -13.743 0.25 17.51 ? 133 GLN   B CG  1 
ATOM   1110 C CD  A GLN   A 1 127 ? -22.888 -1.553  -13.007 0.25 14.54 ? 133 GLN   B CD  1 
ATOM   1111 C CD  B GLN   A 1 127 ? -21.869 -1.539  -14.233 0.25 20.10 ? 133 GLN   B CD  1 
ATOM   1112 O OE1 A GLN   A 1 127 ? -22.158 -1.932  -12.099 0.25 15.38 ? 133 GLN   B OE1 1 
ATOM   1113 O OE1 B GLN   A 1 127 ? -20.780 -2.101  -14.310 0.25 23.55 ? 133 GLN   B OE1 1 
ATOM   1114 N NE2 A GLN   A 1 127 ? -23.675 -0.492  -12.882 0.25 14.70 ? 133 GLN   B NE2 1 
ATOM   1115 N NE2 B GLN   A 1 127 ? -22.044 -0.277  -14.572 0.25 22.67 ? 133 GLN   B NE2 1 
ATOM   1116 N N   . ILE   A 1 128 ? -23.922 -6.738  -14.838 1.00 10.36 ? 134 ILE   B N   1 
ATOM   1117 C CA  . ILE   A 1 128 ? -23.728 -8.204  -14.999 1.00 10.48 ? 134 ILE   B CA  1 
ATOM   1118 C C   . ILE   A 1 128 ? -22.502 -8.367  -15.899 1.00 10.50 ? 134 ILE   B C   1 
ATOM   1119 O O   . ILE   A 1 128 ? -22.428 -7.775  -16.995 1.00 10.34 ? 134 ILE   B O   1 
ATOM   1120 C CB  . ILE   A 1 128 ? -24.966 -8.849  -15.644 1.00 10.84 ? 134 ILE   B CB  1 
ATOM   1121 C CG1 . ILE   A 1 128 ? -26.277 -8.676  -14.844 1.00 13.32 ? 134 ILE   B CG1 1 
ATOM   1122 C CG2 . ILE   A 1 128 ? -24.711 -10.343 -15.931 1.00 11.26 ? 134 ILE   B CG2 1 
ATOM   1123 C CD1 . ILE   A 1 128 ? -26.288 -9.415  -13.565 1.00 13.25 ? 134 ILE   B CD1 1 
ATOM   1124 N N   . GLY   A 1 129 ? -21.559 -9.240  -15.507 1.00 10.02 ? 135 GLY   B N   1 
ATOM   1125 C CA  . GLY   A 1 129 ? -20.453 -9.701  -16.359 1.00 9.59  ? 135 GLY   B CA  1 
ATOM   1126 C C   . GLY   A 1 129 ? -20.761 -11.055 -16.952 1.00 9.65  ? 135 GLY   B C   1 
ATOM   1127 O O   . GLY   A 1 129 ? -21.300 -11.921 -16.263 1.00 10.31 ? 135 GLY   B O   1 
ATOM   1128 N N   . ILE   A 1 130 ? -20.471 -11.218 -18.243 1.00 9.72  ? 136 ILE   B N   1 
ATOM   1129 C CA  . ILE   A 1 130 ? -20.731 -12.484 -18.983 1.00 9.43  ? 136 ILE   B CA  1 
ATOM   1130 C C   . ILE   A 1 130 ? -19.407 -12.964 -19.574 1.00 9.67  ? 136 ILE   B C   1 
ATOM   1131 O O   . ILE   A 1 130 ? -18.731 -12.208 -20.283 1.00 10.06 ? 136 ILE   B O   1 
ATOM   1132 C CB  . ILE   A 1 130 ? -21.775 -12.263 -20.094 1.00 10.03 ? 136 ILE   B CB  1 
ATOM   1133 C CG1 . ILE   A 1 130 ? -23.067 -11.724 -19.486 1.00 10.90 ? 136 ILE   B CG1 1 
ATOM   1134 C CG2 . ILE   A 1 130 ? -22.038 -13.560 -20.874 1.00 11.94 ? 136 ILE   B CG2 1 
ATOM   1135 C CD1 . ILE   A 1 130 ? -24.102 -11.334 -20.456 1.00 13.50 ? 136 ILE   B CD1 1 
ATOM   1136 N N   . PHE   A 1 131 ? -19.046 -14.192 -19.237 1.00 9.20  ? 137 PHE   B N   1 
ATOM   1137 C CA  . PHE   A 1 131 ? -17.805 -14.847 -19.710 1.00 9.14  ? 137 PHE   B CA  1 
ATOM   1138 C C   . PHE   A 1 131 ? -18.193 -16.089 -20.491 1.00 9.11  ? 137 PHE   B C   1 
ATOM   1139 O O   . PHE   A 1 131 ? -18.965 -16.914 -20.018 1.00 9.68  ? 137 PHE   B O   1 
ATOM   1140 C CB  . PHE   A 1 131 ? -16.943 -15.241 -18.518 1.00 10.70 ? 137 PHE   B CB  1 
ATOM   1141 C CG  . PHE   A 1 131 ? -15.704 -16.001 -18.877 1.00 11.82 ? 137 PHE   B CG  1 
ATOM   1142 C CD1 . PHE   A 1 131 ? -14.680 -15.382 -19.546 1.00 12.83 ? 137 PHE   B CD1 1 
ATOM   1143 C CD2 . PHE   A 1 131 ? -15.544 -17.329 -18.545 1.00 13.46 ? 137 PHE   B CD2 1 
ATOM   1144 C CE1 . PHE   A 1 131 ? -13.529 -16.100 -19.889 1.00 15.21 ? 137 PHE   B CE1 1 
ATOM   1145 C CE2 . PHE   A 1 131 ? -14.397 -18.049 -18.882 1.00 15.25 ? 137 PHE   B CE2 1 
ATOM   1146 C CZ  . PHE   A 1 131 ? -13.402 -17.420 -19.557 1.00 14.91 ? 137 PHE   B CZ  1 
ATOM   1147 N N   . VAL   A 1 132 ? -17.616 -16.220 -21.684 1.00 9.40  ? 138 VAL   B N   1 
ATOM   1148 C CA  . VAL   A 1 132 ? -17.774 -17.400 -22.562 1.00 10.16 ? 138 VAL   B CA  1 
ATOM   1149 C C   . VAL   A 1 132 ? -16.387 -17.980 -22.845 1.00 9.14  ? 138 VAL   B C   1 
ATOM   1150 O O   . VAL   A 1 132 ? -15.482 -17.272 -23.308 1.00 10.65 ? 138 VAL   B O   1 
ATOM   1151 C CB  . VAL   A 1 132 ? -18.494 -17.051 -23.867 1.00 10.41 ? 138 VAL   B CB  1 
ATOM   1152 C CG1 . VAL   A 1 132 ? -18.629 -18.277 -24.750 1.00 11.72 ? 138 VAL   B CG1 1 
ATOM   1153 C CG2 . VAL   A 1 132 ? -19.855 -16.408 -23.605 1.00 11.93 ? 138 VAL   B CG2 1 
ATOM   1154 N N   . ASP   A 1 133 ? -16.249 -19.262 -22.562 1.00 9.26  ? 139 ASP   B N   1 
ATOM   1155 C CA  . ASP   A 1 133 ? -15.054 -20.043 -22.991 1.00 10.82 ? 139 ASP   B CA  1 
ATOM   1156 C C   . ASP   A 1 133 ? -15.551 -21.068 -23.994 1.00 9.59  ? 139 ASP   B C   1 
ATOM   1157 O O   . ASP   A 1 133 ? -16.166 -22.068 -23.650 1.00 10.07 ? 139 ASP   B O   1 
ATOM   1158 C CB  . ASP   A 1 133 ? -14.324 -20.657 -21.812 1.00 12.16 ? 139 ASP   B CB  1 
ATOM   1159 C CG  . ASP   A 1 133 ? -13.070 -21.466 -22.157 1.00 13.56 ? 139 ASP   B CG  1 
ATOM   1160 O OD1 . ASP   A 1 133 ? -12.927 -21.887 -23.316 1.00 14.06 ? 139 ASP   B OD1 1 
ATOM   1161 O OD2 . ASP   A 1 133 ? -12.252 -21.592 -21.209 1.00 17.43 ? 139 ASP   B OD2 1 
ATOM   1162 N N   . TYR   A 1 134 ? -15.325 -20.762 -25.273 1.00 9.99  ? 140 TYR   B N   1 
ATOM   1163 C CA  . TYR   A 1 134 ? -15.908 -21.580 -26.346 1.00 10.56 ? 140 TYR   B CA  1 
ATOM   1164 C C   . TYR   A 1 134 ? -15.395 -23.028 -26.280 1.00 10.92 ? 140 TYR   B C   1 
ATOM   1165 O O   . TYR   A 1 134 ? -16.136 -23.982 -26.275 1.00 12.18 ? 140 TYR   B O   1 
ATOM   1166 C CB  . TYR   A 1 134 ? -15.661 -20.962 -27.729 1.00 10.72 ? 140 TYR   B CB  1 
ATOM   1167 C CG  . TYR   A 1 134 ? -16.579 -21.577 -28.770 1.00 11.02 ? 140 TYR   B CG  1 
ATOM   1168 C CD1 . TYR   A 1 134 ? -16.359 -22.846 -29.302 1.00 11.11 ? 140 TYR   B CD1 1 
ATOM   1169 C CD2 . TYR   A 1 134 ? -17.723 -20.909 -29.192 1.00 10.91 ? 140 TYR   B CD2 1 
ATOM   1170 C CE1 . TYR   A 1 134 ? -17.242 -23.425 -30.188 1.00 10.46 ? 140 TYR   B CE1 1 
ATOM   1171 C CE2 . TYR   A 1 134 ? -18.616 -21.468 -30.088 1.00 10.67 ? 140 TYR   B CE2 1 
ATOM   1172 C CZ  . TYR   A 1 134 ? -18.399 -22.741 -30.590 1.00 9.86  ? 140 TYR   B CZ  1 
ATOM   1173 O OH  . TYR   A 1 134 ? -19.282 -23.330 -31.442 1.00 11.07 ? 140 TYR   B OH  1 
ATOM   1174 N N   . GLU   A 1 135 ? -14.093 -23.164 -26.168 1.00 12.17 ? 141 GLU   B N   1 
ATOM   1175 C CA  . GLU   A 1 135 ? -13.446 -24.505 -26.207 1.00 12.73 ? 141 GLU   B CA  1 
ATOM   1176 C C   . GLU   A 1 135 ? -13.876 -25.319 -25.004 1.00 12.80 ? 141 GLU   B C   1 
ATOM   1177 O O   . GLU   A 1 135 ? -14.219 -26.501 -25.167 1.00 14.84 ? 141 GLU   B O   1 
ATOM   1178 C CB  . GLU   A 1 135 ? -11.930 -24.387 -26.285 1.00 15.03 ? 141 GLU   B CB  1 
ATOM   1179 C CG  . GLU   A 1 135 ? -11.476 -24.177 -27.731 1.00 21.54 ? 141 GLU   B CG  1 
ATOM   1180 C CD  . GLU   A 1 135 ? -11.863 -22.874 -28.327 1.00 25.02 ? 141 GLU   B CD  1 
ATOM   1181 O OE1 . GLU   A 1 135 ? -12.135 -22.856 -29.478 1.00 23.36 ? 141 GLU   B OE1 1 
ATOM   1182 O OE2 . GLU   A 1 135 ? -11.898 -21.870 -27.592 1.00 27.03 ? 141 GLU   B OE2 1 
ATOM   1183 N N   . ALA   A 1 136 ? -13.935 -24.733 -23.821 1.00 11.41 ? 142 ALA   B N   1 
ATOM   1184 C CA  . ALA   A 1 136 ? -14.293 -25.446 -22.602 1.00 12.58 ? 142 ALA   B CA  1 
ATOM   1185 C C   . ALA   A 1 136 ? -15.795 -25.730 -22.545 1.00 12.97 ? 142 ALA   B C   1 
ATOM   1186 O O   . ALA   A 1 136 ? -16.212 -26.591 -21.757 1.00 14.82 ? 142 ALA   B O   1 
ATOM   1187 C CB  . ALA   A 1 136 ? -13.855 -24.678 -21.394 1.00 14.17 ? 142 ALA   B CB  1 
ATOM   1188 N N   . GLY   A 1 137 ? -16.641 -25.052 -23.318 1.00 11.04 ? 143 GLY   B N   1 
ATOM   1189 C CA  . GLY   A 1 137 ? -18.093 -25.200 -23.213 1.00 10.58 ? 143 GLY   B CA  1 
ATOM   1190 C C   . GLY   A 1 137 ? -18.653 -24.590 -21.916 1.00 9.22  ? 143 GLY   B C   1 
ATOM   1191 O O   . GLY   A 1 137 ? -19.411 -25.272 -21.223 1.00 10.32 ? 143 GLY   B O   1 
ATOM   1192 N N   . VAL   A 1 138 ? -18.239 -23.366 -21.618 1.00 9.65  ? 144 VAL   B N   1 
ATOM   1193 C CA  . VAL   A 1 138 ? -18.643 -22.662 -20.358 1.00 10.26 ? 144 VAL   B CA  1 
ATOM   1194 C C   . VAL   A 1 138 ? -19.217 -21.299 -20.683 1.00 9.59  ? 144 VAL   B C   1 
ATOM   1195 O O   . VAL   A 1 138 ? -18.644 -20.537 -21.467 1.00 9.95  ? 144 VAL   B O   1 
ATOM   1196 C CB  . VAL   A 1 138 ? -17.415 -22.492 -19.452 1.00 11.09 ? 144 VAL   B CB  1 
ATOM   1197 C CG1 . VAL   A 1 138 ? -17.685 -21.523 -18.282 1.00 11.60 ? 144 VAL   B CG1 1 
ATOM   1198 C CG2 . VAL   A 1 138 ? -16.960 -23.875 -18.981 1.00 12.84 ? 144 VAL   B CG2 1 
ATOM   1199 N N   . VAL   A 1 139 ? -20.320 -20.988 -19.992 1.00 9.32  ? 145 VAL   B N   1 
ATOM   1200 C CA  . VAL   A 1 139 ? -20.884 -19.609 -19.936 1.00 9.04  ? 145 VAL   B CA  1 
ATOM   1201 C C   . VAL   A 1 139 ? -21.088 -19.247 -18.451 1.00 8.26  ? 145 VAL   B C   1 
ATOM   1202 O O   . VAL   A 1 139 ? -21.862 -19.961 -17.793 1.00 9.24  ? 145 VAL   B O   1 
ATOM   1203 C CB  . VAL   A 1 139 ? -22.202 -19.486 -20.720 1.00 8.38  ? 145 VAL   B CB  1 
ATOM   1204 C CG1 . VAL   A 1 139 ? -22.699 -18.045 -20.733 1.00 8.90  ? 145 VAL   B CG1 1 
ATOM   1205 C CG2 . VAL   A 1 139 ? -22.089 -20.023 -22.129 1.00 8.89  ? 145 VAL   B CG2 1 
ATOM   1206 N N   . SER   A 1 140 ? -20.448 -18.210 -17.986 1.00 8.15  ? 146 SER   B N   1 
ATOM   1207 C CA  . SER   A 1 140 ? -20.569 -17.797 -16.575 1.00 8.94  ? 146 SER   B CA  1 
ATOM   1208 C C   . SER   A 1 140 ? -21.018 -16.348 -16.489 1.00 8.49  ? 146 SER   B C   1 
ATOM   1209 O O   . SER   A 1 140 ? -20.723 -15.523 -17.331 1.00 9.55  ? 146 SER   B O   1 
ATOM   1210 C CB  . SER   A 1 140 ? -19.239 -17.972 -15.842 1.00 9.13  ? 146 SER   B CB  1 
ATOM   1211 O OG  . SER   A 1 140 ? -18.863 -19.355 -15.745 1.00 10.28 ? 146 SER   B OG  1 
ATOM   1212 N N   . PHE   A 1 141 ? -21.701 -16.081 -15.386 1.00 8.18  ? 147 PHE   B N   1 
ATOM   1213 C CA  . PHE   A 1 141 ? -22.331 -14.788 -15.082 1.00 8.65  ? 147 PHE   B CA  1 
ATOM   1214 C C   . PHE   A 1 141 ? -21.798 -14.316 -13.735 1.00 8.44  ? 147 PHE   B C   1 
ATOM   1215 O O   . PHE   A 1 141 ? -21.829 -15.106 -12.752 1.00 8.61  ? 147 PHE   B O   1 
ATOM   1216 C CB  . PHE   A 1 141 ? -23.882 -14.899 -15.064 1.00 8.22  ? 147 PHE   B CB  1 
ATOM   1217 C CG  . PHE   A 1 141 ? -24.457 -15.297 -16.397 1.00 8.19  ? 147 PHE   B CG  1 
ATOM   1218 C CD1 . PHE   A 1 141 ? -24.514 -16.627 -16.792 1.00 8.27  ? 147 PHE   B CD1 1 
ATOM   1219 C CD2 . PHE   A 1 141 ? -24.975 -14.329 -17.250 1.00 8.39  ? 147 PHE   B CD2 1 
ATOM   1220 C CE1 . PHE   A 1 141 ? -25.021 -16.962 -18.045 1.00 8.47  ? 147 PHE   B CE1 1 
ATOM   1221 C CE2 . PHE   A 1 141 ? -25.468 -14.690 -18.500 1.00 8.67  ? 147 PHE   B CE2 1 
ATOM   1222 C CZ  . PHE   A 1 141 ? -25.509 -16.003 -18.893 1.00 8.33  ? 147 PHE   B CZ  1 
ATOM   1223 N N   . TYR   A 1 142 ? -21.520 -13.030 -13.636 1.00 8.71  ? 148 TYR   B N   1 
ATOM   1224 C CA  . TYR   A 1 142 ? -20.872 -12.415 -12.450 1.00 10.08 ? 148 TYR   B CA  1 
ATOM   1225 C C   . TYR   A 1 142 ? -21.648 -11.166 -12.045 1.00 9.78  ? 148 TYR   B C   1 
ATOM   1226 O O   . TYR   A 1 142 ? -22.100 -10.352 -12.878 1.00 10.37 ? 148 TYR   B O   1 
ATOM   1227 C CB  . TYR   A 1 142 ? -19.412 -12.102 -12.729 1.00 10.18 ? 148 TYR   B CB  1 
ATOM   1228 C CG  . TYR   A 1 142 ? -18.600 -13.334 -13.002 1.00 10.85 ? 148 TYR   B CG  1 
ATOM   1229 C CD1 . TYR   A 1 142 ? -18.092 -14.130 -11.985 1.00 11.65 ? 148 TYR   B CD1 1 
ATOM   1230 C CD2 . TYR   A 1 142 ? -18.396 -13.766 -14.305 1.00 11.33 ? 148 TYR   B CD2 1 
ATOM   1231 C CE1 . TYR   A 1 142 ? -17.421 -15.318 -12.244 1.00 11.60 ? 148 TYR   B CE1 1 
ATOM   1232 C CE2 . TYR   A 1 142 ? -17.706 -14.941 -14.582 1.00 12.09 ? 148 TYR   B CE2 1 
ATOM   1233 C CZ  . TYR   A 1 142 ? -17.185 -15.704 -13.553 1.00 11.87 ? 148 TYR   B CZ  1 
ATOM   1234 O OH  . TYR   A 1 142 ? -16.522 -16.896 -13.812 1.00 14.19 ? 148 TYR   B OH  1 
ATOM   1235 N N   . ASN   A 1 143 ? -21.696 -10.937 -10.734 1.00 11.20 ? 149 ASN   B N   1 
ATOM   1236 C CA  . ASN   A 1 143 ? -22.396 -9.777  -10.110 1.00 10.93 ? 149 ASN   B CA  1 
ATOM   1237 C C   . ASN   A 1 143 ? -21.363 -8.675  -9.936  1.00 11.26 ? 149 ASN   B C   1 
ATOM   1238 O O   . ASN   A 1 143 ? -20.606 -8.691  -8.921  1.00 13.55 ? 149 ASN   B O   1 
ATOM   1239 C CB  . ASN   A 1 143 ? -23.018 -10.221 -8.795  1.00 11.22 ? 149 ASN   B CB  1 
ATOM   1240 C CG  . ASN   A 1 143 ? -23.859 -9.121  -8.155  1.00 11.56 ? 149 ASN   B CG  1 
ATOM   1241 O OD1 . ASN   A 1 143 ? -23.691 -7.942  -8.492  1.00 12.89 ? 149 ASN   B OD1 1 
ATOM   1242 N ND2 . ASN   A 1 143 ? -24.712 -9.530  -7.271  1.00 12.71 ? 149 ASN   B ND2 1 
ATOM   1243 N N   . ILE   A 1 144 ? -21.285 -7.706  -10.833 1.00 12.44 ? 150 ILE   B N   1 
ATOM   1244 C CA  . ILE   A 1 144 ? -20.230 -6.679  -10.757 1.00 13.66 ? 150 ILE   B CA  1 
ATOM   1245 C C   . ILE   A 1 144 ? -20.486 -5.795  -9.519  1.00 14.94 ? 150 ILE   B C   1 
ATOM   1246 O O   . ILE   A 1 144 ? -19.495 -5.300  -8.935  1.00 16.63 ? 150 ILE   B O   1 
ATOM   1247 C CB  . ILE   A 1 144 ? -20.200 -5.868  -12.065 1.00 13.81 ? 150 ILE   B CB  1 
ATOM   1248 C CG1 . ILE   A 1 144 ? -20.006 -6.767  -13.295 1.00 14.86 ? 150 ILE   B CG1 1 
ATOM   1249 C CG2 . ILE   A 1 144 ? -19.170 -4.756  -12.009 1.00 15.86 ? 150 ILE   B CG2 1 
ATOM   1250 C CD1 . ILE   A 1 144 ? -18.947 -7.806  -13.131 1.00 19.27 ? 150 ILE   B CD1 1 
ATOM   1251 N N   . THR   A 1 145 ? -21.724 -5.562  -9.142  1.00 14.04 ? 151 THR   B N   1 
ATOM   1252 C CA  . THR   A 1 145 ? -22.113 -4.707  -7.980  1.00 14.56 ? 151 THR   B CA  1 
ATOM   1253 C C   . THR   A 1 145 ? -21.583 -5.368  -6.712  1.00 17.11 ? 151 THR   B C   1 
ATOM   1254 O O   . THR   A 1 145 ? -21.171 -4.618  -5.797  1.00 20.87 ? 151 THR   B O   1 
ATOM   1255 C CB  . THR   A 1 145 ? -23.641 -4.559  -7.952  1.00 14.20 ? 151 THR   B CB  1 
ATOM   1256 O OG1 . THR   A 1 145 ? -24.057 -4.094  -9.230  1.00 14.43 ? 151 THR   B OG1 1 
ATOM   1257 C CG2 . THR   A 1 145 ? -24.083 -3.603  -6.859  1.00 15.64 ? 151 THR   B CG2 1 
ATOM   1258 N N   . ASP   A 1 146 ? -21.503 -6.691  -6.632  1.00 15.87 ? 152 ASP   B N   1 
ATOM   1259 C CA  . ASP   A 1 146 ? -20.976 -7.426  -5.450  1.00 17.45 ? 152 ASP   B CA  1 
ATOM   1260 C C   . ASP   A 1 146 ? -19.560 -7.960  -5.702  1.00 17.57 ? 152 ASP   B C   1 
ATOM   1261 O O   . ASP   A 1 146 ? -19.359 -9.159  -5.538  1.00 18.68 ? 152 ASP   B O   1 
ATOM   1262 C CB  . ASP   A 1 146 ? -21.983 -8.475  -5.065  1.00 17.85 ? 152 ASP   B CB  1 
ATOM   1263 C CG  . ASP   A 1 146 ? -21.598 -9.261  -3.843  1.00 20.19 ? 152 ASP   B CG  1 
ATOM   1264 O OD1 . ASP   A 1 146 ? -21.147 -8.623  -2.864  1.00 22.77 ? 152 ASP   B OD1 1 
ATOM   1265 O OD2 . ASP   A 1 146 ? -21.780 -10.480 -3.880  1.00 21.02 ? 152 ASP   B OD2 1 
ATOM   1266 N N   . HIS   A 1 147 ? -18.630 -7.116  -6.116  1.00 19.42 ? 153 HIS   B N   1 
ATOM   1267 C CA  . HIS   A 1 147 ? -17.184 -7.450  -6.206  1.00 22.65 ? 153 HIS   B CA  1 
ATOM   1268 C C   . HIS   A 1 147 ? -17.006 -8.657  -7.138  1.00 20.31 ? 153 HIS   B C   1 
ATOM   1269 O O   . HIS   A 1 147 ? -16.113 -9.465  -6.908  1.00 23.25 ? 153 HIS   B O   1 
ATOM   1270 C CB  . HIS   A 1 147 ? -16.569 -7.808  -4.841  1.00 28.21 ? 153 HIS   B CB  1 
ATOM   1271 C CG  . HIS   A 1 147 ? -16.836 -6.869  -3.708  1.00 35.45 ? 153 HIS   B CG  1 
ATOM   1272 N ND1 . HIS   A 1 147 ? -16.090 -5.724  -3.507  1.00 39.81 ? 153 HIS   B ND1 1 
ATOM   1273 C CD2 . HIS   A 1 147 ? -17.706 -6.949  -2.677  1.00 38.92 ? 153 HIS   B CD2 1 
ATOM   1274 C CE1 . HIS   A 1 147 ? -16.526 -5.104  -2.426  1.00 42.94 ? 153 HIS   B CE1 1 
ATOM   1275 N NE2 . HIS   A 1 147 ? -17.519 -5.840  -1.893  1.00 41.19 ? 153 HIS   B NE2 1 
ATOM   1276 N N   . GLY   A 1 148 ? -17.841 -8.805  -8.168  1.00 16.95 ? 154 GLY   B N   1 
ATOM   1277 C CA  . GLY   A 1 148 ? -17.606 -9.846  -9.183  1.00 15.11 ? 154 GLY   B CA  1 
ATOM   1278 C C   . GLY   A 1 148 ? -18.043 -11.219 -8.745  1.00 13.59 ? 154 GLY   B C   1 
ATOM   1279 O O   . GLY   A 1 148 ? -17.520 -12.152 -9.325  1.00 14.46 ? 154 GLY   B O   1 
ATOM   1280 N N   . SER   A 1 149 ? -18.853 -11.369 -7.725  1.00 13.09 ? 155 SER   B N   1 
ATOM   1281 C CA  . SER   A 1 149 ? -19.222 -12.703 -7.228  1.00 11.78 ? 155 SER   B CA  1 
ATOM   1282 C C   . SER   A 1 149 ? -19.912 -13.534 -8.320  1.00 11.54 ? 155 SER   B C   1 
ATOM   1283 O O   . SER   A 1 149 ? -20.717 -12.998 -9.133  1.00 11.54 ? 155 SER   B O   1 
ATOM   1284 C CB  . SER   A 1 149 ? -20.072 -12.578 -5.980  1.00 12.74 ? 155 SER   B CB  1 
ATOM   1285 O OG  . SER   A 1 149 ? -21.275 -11.843 -6.173  1.00 13.46 ? 155 SER   B OG  1 
ATOM   1286 N N   . LEU   A 1 150 ? -19.728 -14.831 -8.301  1.00 10.40 ? 156 LEU   B N   1 
ATOM   1287 C CA  . LEU   A 1 150 ? -20.357 -15.743 -9.287  1.00 10.00 ? 156 LEU   B CA  1 
ATOM   1288 C C   . LEU   A 1 150 ? -21.850 -15.804 -9.047  1.00 9.73  ? 156 LEU   B C   1 
ATOM   1289 O O   . LEU   A 1 150 ? -22.360 -16.010 -7.912  1.00 10.02 ? 156 LEU   B O   1 
ATOM   1290 C CB  . LEU   A 1 150 ? -19.756 -17.140 -9.109  1.00 10.35 ? 156 LEU   B CB  1 
ATOM   1291 C CG  . LEU   A 1 150 ? -20.309 -18.193 -10.097 1.00 10.33 ? 156 LEU   B CG  1 
ATOM   1292 C CD1 . LEU   A 1 150 ? -19.929 -17.900 -11.535 1.00 10.75 ? 156 LEU   B CD1 1 
ATOM   1293 C CD2 . LEU   A 1 150 ? -19.770 -19.593 -9.712  1.00 11.29 ? 156 LEU   B CD2 1 
ATOM   1294 N N   . ILE   A 1 151 ? -22.614 -15.653 -10.147 1.00 9.23  ? 157 ILE   B N   1 
ATOM   1295 C CA  . ILE   A 1 151 ? -24.065 -15.862 -10.168 1.00 9.27  ? 157 ILE   B CA  1 
ATOM   1296 C C   . ILE   A 1 151 ? -24.398 -17.276 -10.625 1.00 8.72  ? 157 ILE   B C   1 
ATOM   1297 O O   . ILE   A 1 151 ? -25.202 -17.966 -10.045 1.00 8.93  ? 157 ILE   B O   1 
ATOM   1298 C CB  . ILE   A 1 151 ? -24.753 -14.782 -11.042 1.00 9.57  ? 157 ILE   B CB  1 
ATOM   1299 C CG1 . ILE   A 1 151 ? -24.581 -13.388 -10.454 1.00 10.13 ? 157 ILE   B CG1 1 
ATOM   1300 C CG2 . ILE   A 1 151 ? -26.210 -15.129 -11.253 1.00 9.48  ? 157 ILE   B CG2 1 
ATOM   1301 C CD1 . ILE   A 1 151 ? -25.010 -12.276 -11.383 1.00 10.13 ? 157 ILE   B CD1 1 
ATOM   1302 N N   . TYR   A 1 152 ? -23.834 -17.695 -11.770 1.00 8.51  ? 158 TYR   B N   1 
ATOM   1303 C CA  . TYR   A 1 152 ? -24.212 -18.993 -12.370 1.00 8.57  ? 158 TYR   B CA  1 
ATOM   1304 C C   . TYR   A 1 152 ? -23.164 -19.395 -13.401 1.00 8.35  ? 158 TYR   B C   1 
ATOM   1305 O O   . TYR   A 1 152 ? -22.682 -18.534 -14.140 1.00 8.97  ? 158 TYR   B O   1 
ATOM   1306 C CB  . TYR   A 1 152 ? -25.599 -18.933 -13.067 1.00 8.20  ? 158 TYR   B CB  1 
ATOM   1307 C CG  . TYR   A 1 152 ? -26.123 -20.285 -13.411 1.00 8.15  ? 158 TYR   B CG  1 
ATOM   1308 C CD1 . TYR   A 1 152 ? -26.758 -21.076 -12.460 1.00 8.86  ? 158 TYR   B CD1 1 
ATOM   1309 C CD2 . TYR   A 1 152 ? -25.998 -20.807 -14.705 1.00 8.46  ? 158 TYR   B CD2 1 
ATOM   1310 C CE1 . TYR   A 1 152 ? -27.200 -22.346 -12.763 1.00 9.54  ? 158 TYR   B CE1 1 
ATOM   1311 C CE2 . TYR   A 1 152 ? -26.434 -22.073 -15.011 1.00 9.10  ? 158 TYR   B CE2 1 
ATOM   1312 C CZ  . TYR   A 1 152 ? -27.022 -22.846 -14.041 1.00 9.13  ? 158 TYR   B CZ  1 
ATOM   1313 O OH  . TYR   A 1 152 ? -27.424 -24.136 -14.318 1.00 11.47 ? 158 TYR   B OH  1 
ATOM   1314 N N   . THR   A 1 153 ? -22.898 -20.704 -13.488 1.00 7.97  ? 159 THR   B N   1 
ATOM   1315 C CA  . THR   A 1 153 ? -22.078 -21.314 -14.561 1.00 8.51  ? 159 THR   B CA  1 
ATOM   1316 C C   . THR   A 1 153 ? -22.845 -22.423 -15.247 1.00 8.45  ? 159 THR   B C   1 
ATOM   1317 O O   . THR   A 1 153 ? -23.219 -23.402 -14.639 1.00 9.32  ? 159 THR   B O   1 
ATOM   1318 C CB  . THR   A 1 153 ? -20.725 -21.848 -14.028 1.00 9.36  ? 159 THR   B CB  1 
ATOM   1319 O OG1 . THR   A 1 153 ? -19.964 -20.720 -13.592 1.00 9.91  ? 159 THR   B OG1 1 
ATOM   1320 C CG2 . THR   A 1 153 ? -19.974 -22.667 -15.071 1.00 10.16 ? 159 THR   B CG2 1 
ATOM   1321 N N   . PHE   A 1 154 ? -23.052 -22.241 -16.569 1.00 8.65  ? 160 PHE   B N   1 
ATOM   1322 C CA  . PHE   A 1 154 ? -23.418 -23.350 -17.481 1.00 8.61  ? 160 PHE   B CA  1 
ATOM   1323 C C   . PHE   A 1 154 ? -22.096 -24.016 -17.902 1.00 8.82  ? 160 PHE   B C   1 
ATOM   1324 O O   . PHE   A 1 154 ? -21.236 -23.389 -18.481 1.00 9.76  ? 160 PHE   B O   1 
ATOM   1325 C CB  . PHE   A 1 154 ? -24.087 -22.847 -18.761 1.00 9.23  ? 160 PHE   B CB  1 
ATOM   1326 C CG  . PHE   A 1 154 ? -25.459 -22.220 -18.617 1.00 7.81  ? 160 PHE   B CG  1 
ATOM   1327 C CD1 . PHE   A 1 154 ? -25.642 -20.877 -18.349 1.00 7.80  ? 160 PHE   B CD1 1 
ATOM   1328 C CD2 . PHE   A 1 154 ? -26.585 -22.983 -18.799 1.00 8.40  ? 160 PHE   B CD2 1 
ATOM   1329 C CE1 . PHE   A 1 154 ? -26.925 -20.335 -18.269 1.00 8.49  ? 160 PHE   B CE1 1 
ATOM   1330 C CE2 . PHE   A 1 154 ? -27.864 -22.428 -18.716 1.00 8.90  ? 160 PHE   B CE2 1 
ATOM   1331 C CZ  . PHE   A 1 154 ? -28.016 -21.098 -18.462 1.00 8.36  ? 160 PHE   B CZ  1 
ATOM   1332 N N   . SER   A 1 155 ? -22.009 -25.311 -17.632 1.00 10.04 ? 161 SER   B N   1 
ATOM   1333 C CA  . SER   A 1 155 ? -20.856 -26.114 -18.094 1.00 11.38 ? 161 SER   B CA  1 
ATOM   1334 C C   . SER   A 1 155 ? -21.392 -27.259 -18.930 1.00 10.80 ? 161 SER   B C   1 
ATOM   1335 O O   . SER   A 1 155 ? -22.564 -27.514 -19.013 1.00 12.38 ? 161 SER   B O   1 
ATOM   1336 C CB  . SER   A 1 155 ? -20.016 -26.544 -16.932 1.00 12.19 ? 161 SER   B CB  1 
ATOM   1337 O OG  . SER   A 1 155 ? -20.701 -27.460 -16.130 1.00 15.55 ? 161 SER   B OG  1 
ATOM   1338 N N   . GLU   A 1 156 ? -20.463 -27.939 -19.610 1.00 13.32 ? 162 GLU   B N   1 
ATOM   1339 C CA  . GLU   A 1 156 ? -20.810 -29.006 -20.591 1.00 14.03 ? 162 GLU   B CA  1 
ATOM   1340 C C   . GLU   A 1 156 ? -21.735 -28.429 -21.665 1.00 12.01 ? 162 GLU   B C   1 
ATOM   1341 O O   . GLU   A 1 156 ? -22.651 -29.138 -22.136 1.00 13.35 ? 162 GLU   B O   1 
ATOM   1342 C CB  . GLU   A 1 156 ? -21.445 -30.213 -19.895 1.00 16.62 ? 162 GLU   B CB  1 
ATOM   1343 C CG  . GLU   A 1 156 ? -20.729 -30.741 -18.660 1.00 21.23 ? 162 GLU   B CG  1 
ATOM   1344 C CD  . GLU   A 1 156 ? -21.400 -32.032 -18.253 1.00 31.98 ? 162 GLU   B CD  1 
ATOM   1345 O OE1 . GLU   A 1 156 ? -22.441 -31.969 -17.560 1.00 35.11 ? 162 GLU   B OE1 1 
ATOM   1346 O OE2 . GLU   A 1 156 ? -20.972 -33.087 -18.764 1.00 38.70 ? 162 GLU   B OE2 1 
ATOM   1347 N N   . CYS   A 1 157 ? -21.509 -27.167 -22.036 1.00 11.44 ? 163 CYS   B N   1 
ATOM   1348 C CA  . CYS   A 1 157 ? -22.361 -26.553 -23.064 1.00 10.90 ? 163 CYS   B CA  1 
ATOM   1349 C C   . CYS   A 1 157 ? -22.093 -27.213 -24.420 1.00 11.48 ? 163 CYS   B C   1 
ATOM   1350 O O   . CYS   A 1 157 ? -20.897 -27.421 -24.768 1.00 12.98 ? 163 CYS   B O   1 
ATOM   1351 C CB  . CYS   A 1 157 ? -22.164 -25.042 -23.196 1.00 9.97  ? 163 CYS   B CB  1 
ATOM   1352 S SG  . CYS   A 1 157 ? -22.584 -24.114 -21.706 1.00 10.71 ? 163 CYS   B SG  1 
ATOM   1353 N N   . VAL   A 1 158 ? -23.135 -27.427 -25.174 1.00 11.18 ? 164 VAL   B N   1 
ATOM   1354 C CA  . VAL   A 1 158 ? -22.979 -27.935 -26.561 1.00 11.93 ? 164 VAL   B CA  1 
ATOM   1355 C C   . VAL   A 1 158 ? -23.450 -26.789 -27.463 1.00 11.54 ? 164 VAL   B C   1 
ATOM   1356 O O   . VAL   A 1 158 ? -24.626 -26.734 -27.816 1.00 12.83 ? 164 VAL   B O   1 
ATOM   1357 C CB  . VAL   A 1 158 ? -23.708 -29.296 -26.708 1.00 14.39 ? 164 VAL   B CB  1 
ATOM   1358 C CG1 . VAL   A 1 158 ? -23.624 -29.791 -28.167 1.00 14.70 ? 164 VAL   B CG1 1 
ATOM   1359 C CG2 . VAL   A 1 158 ? -23.158 -30.334 -25.720 1.00 15.41 ? 164 VAL   B CG2 1 
ATOM   1360 N N   . PHE   A 1 159 ? -22.569 -25.864 -27.815 1.00 10.60 ? 165 PHE   B N   1 
ATOM   1361 C CA  . PHE   A 1 159 ? -22.917 -24.625 -28.527 1.00 10.85 ? 165 PHE   B CA  1 
ATOM   1362 C C   . PHE   A 1 159 ? -23.468 -25.001 -29.895 1.00 11.17 ? 165 PHE   B C   1 
ATOM   1363 O O   . PHE   A 1 159 ? -24.481 -24.395 -30.332 1.00 12.63 ? 165 PHE   B O   1 
ATOM   1364 C CB  . PHE   A 1 159 ? -21.741 -23.676 -28.562 1.00 10.42 ? 165 PHE   B CB  1 
ATOM   1365 C CG  . PHE   A 1 159 ? -21.308 -23.169 -27.203 1.00 9.88  ? 165 PHE   B CG  1 
ATOM   1366 C CD1 . PHE   A 1 159 ? -22.249 -22.667 -26.291 1.00 9.82  ? 165 PHE   B CD1 1 
ATOM   1367 C CD2 . PHE   A 1 159 ? -19.979 -23.177 -26.817 1.00 11.17 ? 165 PHE   B CD2 1 
ATOM   1368 C CE1 . PHE   A 1 159 ? -21.848 -22.210 -25.031 1.00 9.92  ? 165 PHE   B CE1 1 
ATOM   1369 C CE2 . PHE   A 1 159 ? -19.581 -22.722 -25.567 1.00 10.55 ? 165 PHE   B CE2 1 
ATOM   1370 C CZ  . PHE   A 1 159 ? -20.510 -22.184 -24.700 1.00 10.89 ? 165 PHE   B CZ  1 
ATOM   1371 N N   . ALA   A 1 160 ? -22.778 -25.887 -30.643 1.00 11.21 ? 166 ALA   B N   1 
ATOM   1372 C CA  . ALA   A 1 160 ? -23.227 -26.450 -31.932 1.00 11.41 ? 166 ALA   B CA  1 
ATOM   1373 C C   . ALA   A 1 160 ? -23.368 -25.362 -32.988 1.00 11.26 ? 166 ALA   B C   1 
ATOM   1374 O O   . ALA   A 1 160 ? -24.180 -25.572 -33.962 1.00 12.70 ? 166 ALA   B O   1 
ATOM   1375 C CB  . ALA   A 1 160 ? -24.461 -27.243 -31.739 1.00 12.47 ? 166 ALA   B CB  1 
ATOM   1376 N N   . GLY   A 1 161 ? -22.588 -24.312 -32.941 1.00 11.47 ? 167 GLY   B N   1 
ATOM   1377 C CA  . GLY   A 1 161 ? -22.650 -23.234 -33.930 1.00 12.06 ? 167 GLY   B CA  1 
ATOM   1378 C C   . GLY   A 1 161 ? -21.958 -21.998 -33.414 1.00 10.72 ? 167 GLY   B C   1 
ATOM   1379 O O   . GLY   A 1 161 ? -21.521 -21.958 -32.222 1.00 11.64 ? 167 GLY   B O   1 
ATOM   1380 N N   . PRO   A 1 162 ? -21.809 -20.988 -34.245 1.00 10.25 ? 168 PRO   B N   1 
ATOM   1381 C CA  . PRO   A 1 162 ? -21.341 -19.691 -33.790 1.00 10.47 ? 168 PRO   B CA  1 
ATOM   1382 C C   . PRO   A 1 162 ? -22.294 -19.132 -32.709 1.00 10.24 ? 168 PRO   B C   1 
ATOM   1383 O O   . PRO   A 1 162 ? -23.503 -19.361 -32.796 1.00 11.20 ? 168 PRO   B O   1 
ATOM   1384 C CB  . PRO   A 1 162 ? -21.335 -18.780 -35.026 1.00 11.18 ? 168 PRO   B CB  1 
ATOM   1385 C CG  . PRO   A 1 162 ? -21.457 -19.794 -36.196 1.00 11.59 ? 168 PRO   B CG  1 
ATOM   1386 C CD  . PRO   A 1 162 ? -22.231 -20.946 -35.661 1.00 10.83 ? 168 PRO   B CD  1 
ATOM   1387 N N   . LEU   A 1 163 ? -21.729 -18.371 -31.800 1.00 9.87  ? 169 LEU   B N   1 
ATOM   1388 C CA  . LEU   A 1 163 ? -22.496 -17.706 -30.708 1.00 9.29  ? 169 LEU   B CA  1 
ATOM   1389 C C   . LEU   A 1 163 ? -22.586 -16.215 -30.955 1.00 9.49  ? 169 LEU   B C   1 
ATOM   1390 O O   . LEU   A 1 163 ? -21.659 -15.582 -31.418 1.00 11.18 ? 169 LEU   B O   1 
ATOM   1391 C CB  . LEU   A 1 163 ? -21.817 -17.956 -29.357 1.00 10.05 ? 169 LEU   B CB  1 
ATOM   1392 C CG  . LEU   A 1 163 ? -21.841 -19.382 -28.819 1.00 11.53 ? 169 LEU   B CG  1 
ATOM   1393 C CD1 . LEU   A 1 163 ? -21.025 -19.457 -27.545 1.00 10.85 ? 169 LEU   B CD1 1 
ATOM   1394 C CD2 . LEU   A 1 163 ? -23.251 -19.866 -28.598 1.00 11.57 ? 169 LEU   B CD2 1 
ATOM   1395 N N   . ARG   A 1 164 ? -23.720 -15.654 -30.532 1.00 9.02  ? 170 ARG   B N   1 
ATOM   1396 C CA  . ARG   A 1 164 ? -23.945 -14.206 -30.514 1.00 9.31  ? 170 ARG   B CA  1 
ATOM   1397 C C   . ARG   A 1 164 ? -24.379 -13.715 -29.139 1.00 8.23  ? 170 ARG   B C   1 
ATOM   1398 O O   . ARG   A 1 164 ? -25.150 -14.390 -28.469 1.00 8.92  ? 170 ARG   B O   1 
ATOM   1399 C CB  . ARG   A 1 164 ? -24.991 -13.824 -31.556 1.00 10.41 ? 170 ARG   B CB  1 
ATOM   1400 C CG  . ARG   A 1 164 ? -24.512 -14.162 -32.975 1.00 12.10 ? 170 ARG   B CG  1 
ATOM   1401 C CD  . ARG   A 1 164 ? -25.458 -13.778 -34.091 1.00 13.10 ? 170 ARG   B CD  1 
ATOM   1402 N NE  . ARG   A 1 164 ? -25.515 -12.346 -34.199 1.00 13.36 ? 170 ARG   B NE  1 
ATOM   1403 C CZ  . ARG   A 1 164 ? -26.215 -11.735 -35.145 1.00 13.02 ? 170 ARG   B CZ  1 
ATOM   1404 N NH1 . ARG   A 1 164 ? -26.800 -12.452 -36.072 1.00 13.80 ? 170 ARG   B NH1 1 
ATOM   1405 N NH2 . ARG   A 1 164 ? -26.251 -10.430 -35.135 1.00 13.09 ? 170 ARG   B NH2 1 
ATOM   1406 N N   . PRO   A 1 165 ? -23.919 -12.530 -28.717 1.00 8.22  ? 171 PRO   B N   1 
ATOM   1407 C CA  . PRO   A 1 165 ? -24.490 -11.938 -27.494 1.00 8.40  ? 171 PRO   B CA  1 
ATOM   1408 C C   . PRO   A 1 165 ? -26.014 -11.754 -27.649 1.00 7.92  ? 171 PRO   B C   1 
ATOM   1409 O O   . PRO   A 1 165 ? -26.494 -11.418 -28.715 1.00 8.61  ? 171 PRO   B O   1 
ATOM   1410 C CB  . PRO   A 1 165 ? -23.787 -10.594 -27.379 1.00 8.79  ? 171 PRO   B CB  1 
ATOM   1411 C CG  . PRO   A 1 165 ? -22.482 -10.797 -28.167 1.00 10.48 ? 171 PRO   B CG  1 
ATOM   1412 C CD  . PRO   A 1 165 ? -22.891 -11.681 -29.318 1.00 10.50 ? 171 PRO   B CD  1 
ATOM   1413 N N   . PHE   A 1 166 ? -26.733 -12.047 -26.574 1.00 7.39  ? 172 PHE   B N   1 
ATOM   1414 C CA  . PHE   A 1 166 ? -28.195 -12.075 -26.552 1.00 7.83  ? 172 PHE   B CA  1 
ATOM   1415 C C   . PHE   A 1 166 ? -28.726 -11.132 -25.469 1.00 7.16  ? 172 PHE   B C   1 
ATOM   1416 O O   . PHE   A 1 166 ? -28.242 -11.123 -24.330 1.00 7.82  ? 172 PHE   B O   1 
ATOM   1417 C CB  . PHE   A 1 166 ? -28.682 -13.492 -26.288 1.00 8.40  ? 172 PHE   B CB  1 
ATOM   1418 C CG  . PHE   A 1 166 ? -30.175 -13.583 -26.107 1.00 8.54  ? 172 PHE   B CG  1 
ATOM   1419 C CD1 . PHE   A 1 166 ? -31.026 -13.606 -27.206 1.00 9.61  ? 172 PHE   B CD1 1 
ATOM   1420 C CD2 . PHE   A 1 166 ? -30.748 -13.649 -24.853 1.00 9.38  ? 172 PHE   B CD2 1 
ATOM   1421 C CE1 . PHE   A 1 166 ? -32.400 -13.643 -27.033 1.00 9.89  ? 172 PHE   B CE1 1 
ATOM   1422 C CE2 . PHE   A 1 166 ? -32.127 -13.643 -24.697 1.00 9.92  ? 172 PHE   B CE2 1 
ATOM   1423 C CZ  . PHE   A 1 166 ? -32.941 -13.666 -25.787 1.00 10.27 ? 172 PHE   B CZ  1 
ATOM   1424 N N   . PHE   A 1 167 ? -29.805 -10.397 -25.803 1.00 7.10  ? 173 PHE   B N   1 
ATOM   1425 C CA  . PHE   A 1 167 ? -30.410 -9.377  -24.909 1.00 7.68  ? 173 PHE   B CA  1 
ATOM   1426 C C   . PHE   A 1 167 ? -31.934 -9.415  -25.039 1.00 7.86  ? 173 PHE   B C   1 
ATOM   1427 O O   . PHE   A 1 167 ? -32.464 -9.483  -26.165 1.00 8.43  ? 173 PHE   B O   1 
ATOM   1428 C CB  . PHE   A 1 167 ? -29.961 -7.953  -25.292 1.00 8.30  ? 173 PHE   B CB  1 
ATOM   1429 C CG  . PHE   A 1 167 ? -28.458 -7.812  -25.412 1.00 7.97  ? 173 PHE   B CG  1 
ATOM   1430 C CD1 . PHE   A 1 167 ? -27.800 -8.103  -26.591 1.00 8.32  ? 173 PHE   B CD1 1 
ATOM   1431 C CD2 . PHE   A 1 167 ? -27.708 -7.321  -24.360 1.00 9.25  ? 173 PHE   B CD2 1 
ATOM   1432 C CE1 . PHE   A 1 167 ? -26.409 -8.022  -26.673 1.00 8.78  ? 173 PHE   B CE1 1 
ATOM   1433 C CE2 . PHE   A 1 167 ? -26.323 -7.230  -24.446 1.00 9.60  ? 173 PHE   B CE2 1 
ATOM   1434 C CZ  . PHE   A 1 167 ? -25.691 -7.548  -25.617 1.00 9.37  ? 173 PHE   B CZ  1 
ATOM   1435 N N   . ASN   A 1 168 ? -32.621 -9.245  -23.920 1.00 7.98  ? 174 ASN   B N   1 
ATOM   1436 C CA  . ASN   A 1 168 ? -34.078 -9.002  -23.879 1.00 7.71  ? 174 ASN   B CA  1 
ATOM   1437 C C   . ASN   A 1 168 ? -34.284 -7.870  -22.890 1.00 7.50  ? 174 ASN   B C   1 
ATOM   1438 O O   . ASN   A 1 168 ? -33.976 -8.017  -21.687 1.00 8.21  ? 174 ASN   B O   1 
ATOM   1439 C CB  . ASN   A 1 168 ? -34.845 -10.249 -23.458 1.00 8.24  ? 174 ASN   B CB  1 
ATOM   1440 C CG  . ASN   A 1 168 ? -36.341 -10.056 -23.536 1.00 9.08  ? 174 ASN   B CG  1 
ATOM   1441 O OD1 . ASN   A 1 168 ? -36.867 -8.991  -23.854 1.00 10.34 ? 174 ASN   B OD1 1 
ATOM   1442 N ND2 . ASN   A 1 168 ? -37.096 -11.112 -23.318 1.00 10.90 ? 174 ASN   B ND2 1 
ATOM   1443 N N   . VAL   A 1 169 ? -34.806 -6.718  -23.362 1.00 7.84  ? 175 VAL   B N   1 
ATOM   1444 C CA  . VAL   A 1 169 ? -35.083 -5.571  -22.464 1.00 8.44  ? 175 VAL   B CA  1 
ATOM   1445 C C   . VAL   A 1 169 ? -36.341 -5.792  -21.636 1.00 7.98  ? 175 VAL   B C   1 
ATOM   1446 O O   . VAL   A 1 169 ? -36.572 -4.990  -20.695 1.00 9.41  ? 175 VAL   B O   1 
ATOM   1447 C CB  . VAL   A 1 169 ? -35.160 -4.227  -23.213 1.00 8.86  ? 175 VAL   B CB  1 
ATOM   1448 C CG1 . VAL   A 1 169 ? -33.870 -3.886  -23.930 1.00 10.06 ? 175 VAL   B CG1 1 
ATOM   1449 C CG2 . VAL   A 1 169 ? -36.325 -4.189  -24.196 1.00 8.97  ? 175 VAL   B CG2 1 
ATOM   1450 N N   . GLY   A 1 170 ? -37.129 -6.802  -21.963 1.00 8.63  ? 176 GLY   B N   1 
ATOM   1451 C CA  . GLY   A 1 170 ? -38.414 -7.044  -21.263 1.00 9.45  ? 176 GLY   B CA  1 
ATOM   1452 C C   . GLY   A 1 170 ? -39.519 -6.101  -21.707 1.00 9.14  ? 176 GLY   B C   1 
ATOM   1453 O O   . GLY   A 1 170 ? -39.306 -5.060  -22.292 1.00 8.75  ? 176 GLY   B O   1 
ATOM   1454 N N   . PHE   A 1 171 ? -40.743 -6.565  -21.466 1.00 9.69  ? 177 PHE   B N   1 
ATOM   1455 C CA  . PHE   A 1 171 ? -41.949 -5.731  -21.639 1.00 9.24  ? 177 PHE   B CA  1 
ATOM   1456 C C   . PHE   A 1 171 ? -41.988 -4.639  -20.582 1.00 9.19  ? 177 PHE   B C   1 
ATOM   1457 O O   . PHE   A 1 171 ? -41.291 -4.691  -19.590 1.00 9.40  ? 177 PHE   B O   1 
ATOM   1458 C CB  . PHE   A 1 171 ? -43.227 -6.587  -21.680 1.00 10.56 ? 177 PHE   B CB  1 
ATOM   1459 C CG  . PHE   A 1 171 ? -43.356 -7.473  -22.900 1.00 11.79 ? 177 PHE   B CG  1 
ATOM   1460 C CD1 . PHE   A 1 171 ? -43.790 -6.962  -24.103 1.00 14.75 ? 177 PHE   B CD1 1 
ATOM   1461 C CD2 . PHE   A 1 171 ? -43.018 -8.815  -22.849 1.00 13.67 ? 177 PHE   B CD2 1 
ATOM   1462 C CE1 . PHE   A 1 171 ? -43.885 -7.780  -25.228 1.00 15.91 ? 177 PHE   B CE1 1 
ATOM   1463 C CE2 . PHE   A 1 171 ? -43.139 -9.628  -23.981 1.00 14.76 ? 177 PHE   B CE2 1 
ATOM   1464 C CZ  . PHE   A 1 171 ? -43.589 -9.109  -25.135 1.00 15.00 ? 177 PHE   B CZ  1 
ATOM   1465 N N   . ASN   A 1 172 ? -42.864 -3.660  -20.818 1.00 9.36  ? 178 ASN   B N   1 
ATOM   1466 C CA  . ASN   A 1 172 ? -43.064 -2.560  -19.852 1.00 9.05  ? 178 ASN   B CA  1 
ATOM   1467 C C   . ASN   A 1 172 ? -44.579 -2.405  -19.622 1.00 9.41  ? 178 ASN   B C   1 
ATOM   1468 O O   . ASN   A 1 172 ? -45.096 -1.272  -19.650 1.00 10.55 ? 178 ASN   B O   1 
ATOM   1469 C CB  . ASN   A 1 172 ? -42.412 -1.279  -20.327 1.00 9.71  ? 178 ASN   B CB  1 
ATOM   1470 C CG  . ASN   A 1 172 ? -42.415 -0.206  -19.280 1.00 9.55  ? 178 ASN   B CG  1 
ATOM   1471 O OD1 . ASN   A 1 172 ? -42.461 -0.470  -18.087 1.00 9.88  ? 178 ASN   B OD1 1 
ATOM   1472 N ND2 . ASN   A 1 172 ? -42.376 1.023   -19.749 1.00 11.66 ? 178 ASN   B ND2 1 
ATOM   1473 N N   . TYR   A 1 173 ? -45.261 -3.468  -19.285 1.00 9.47  ? 179 TYR   B N   1 
ATOM   1474 C CA  . TYR   A 1 173 ? -46.683 -3.395  -18.869 1.00 9.56  ? 179 TYR   B CA  1 
ATOM   1475 C C   . TYR   A 1 173 ? -46.819 -2.613  -17.581 1.00 9.75  ? 179 TYR   B C   1 
ATOM   1476 O O   . TYR   A 1 173 ? -47.880 -1.932  -17.357 1.00 10.92 ? 179 TYR   B O   1 
ATOM   1477 C CB  . TYR   A 1 173 ? -47.275 -4.797  -18.672 1.00 10.37 ? 179 TYR   B CB  1 
ATOM   1478 C CG  . TYR   A 1 173 ? -47.375 -5.644  -19.912 1.00 12.30 ? 179 TYR   B CG  1 
ATOM   1479 C CD1 . TYR   A 1 173 ? -48.389 -5.451  -20.847 1.00 14.60 ? 179 TYR   B CD1 1 
ATOM   1480 C CD2 . TYR   A 1 173 ? -46.498 -6.694  -20.106 1.00 14.16 ? 179 TYR   B CD2 1 
ATOM   1481 C CE1 . TYR   A 1 173 ? -48.441 -6.221  -22.007 1.00 15.81 ? 179 TYR   B CE1 1 
ATOM   1482 C CE2 . TYR   A 1 173 ? -46.559 -7.473  -21.262 1.00 14.64 ? 179 TYR   B CE2 1 
ATOM   1483 C CZ  . TYR   A 1 173 ? -47.513 -7.216  -22.197 1.00 16.10 ? 179 TYR   B CZ  1 
ATOM   1484 O OH  . TYR   A 1 173 ? -47.608 -8.021  -23.313 1.00 21.99 ? 179 TYR   B OH  1 
ATOM   1485 N N   . SER   A 1 174 ? -45.852 -2.633  -16.673 1.00 9.52  ? 180 SER   B N   1 
ATOM   1486 C CA  . SER   A 1 174 ? -45.952 -2.042  -15.326 1.00 10.43 ? 180 SER   B CA  1 
ATOM   1487 C C   . SER   A 1 174 ? -45.676 -0.535  -15.333 1.00 10.66 ? 180 SER   B C   1 
ATOM   1488 O O   . SER   A 1 174 ? -45.957 0.158   -14.325 1.00 12.99 ? 180 SER   B O   1 
ATOM   1489 C CB  . SER   A 1 174 ? -44.991 -2.679  -14.381 1.00 11.15 ? 180 SER   B CB  1 
ATOM   1490 O OG  . SER   A 1 174 ? -43.654 -2.350  -14.821 1.00 11.10 ? 180 SER   B OG  1 
ATOM   1491 N N   . GLY   A 1 175 ? -45.038 -0.003  -16.370 1.00 9.40  ? 181 GLY   B N   1 
ATOM   1492 C CA  . GLY   A 1 175 ? -44.525 1.370   -16.319 1.00 9.98  ? 181 GLY   B CA  1 
ATOM   1493 C C   . GLY   A 1 175 ? -43.272 1.507   -15.499 1.00 10.70 ? 181 GLY   B C   1 
ATOM   1494 O O   . GLY   A 1 175 ? -42.801 2.654   -15.346 1.00 12.02 ? 181 GLY   B O   1 
ATOM   1495 N N   . GLY   A 1 176 ? -42.703 0.438   -14.951 1.00 9.72  ? 182 GLY   B N   1 
ATOM   1496 C CA  . GLY   A 1 176 ? -41.472 0.495   -14.152 1.00 10.28 ? 182 GLY   B CA  1 
ATOM   1497 C C   . GLY   A 1 176 ? -40.283 -0.157  -14.849 1.00 10.39 ? 182 GLY   B C   1 
ATOM   1498 O O   . GLY   A 1 176 ? -39.227 -0.255  -14.193 1.00 12.37 ? 182 GLY   B O   1 
ATOM   1499 N N   . ASN   A 1 177 ? -40.391 -0.548  -16.096 1.00 8.89  ? 183 ASN   B N   1 
ATOM   1500 C CA  . ASN   A 1 177 ? -39.319 -1.294  -16.794 1.00 8.84  ? 183 ASN   B CA  1 
ATOM   1501 C C   . ASN   A 1 177 ? -38.889 -0.591  -18.075 1.00 9.25  ? 183 ASN   B C   1 
ATOM   1502 O O   . ASN   A 1 177 ? -38.321 -1.269  -18.949 1.00 10.43 ? 183 ASN   B O   1 
ATOM   1503 C CB  . ASN   A 1 177 ? -39.726 -2.732  -17.082 1.00 8.49  ? 183 ASN   B CB  1 
ATOM   1504 C CG  . ASN   A 1 177 ? -38.517 -3.619  -17.383 1.00 8.49  ? 183 ASN   B CG  1 
ATOM   1505 O OD1 . ASN   A 1 177 ? -37.462 -3.422  -16.772 1.00 9.36  ? 183 ASN   B OD1 1 
ATOM   1506 N ND2 . ASN   A 1 177 ? -38.679 -4.523  -18.336 1.00 8.51  ? 183 ASN   B ND2 1 
ATOM   1507 N N   . ALA   A 1 178 ? -38.980 0.735   -18.170 1.00 10.17 ? 184 ALA   B N   1 
ATOM   1508 C CA  . ALA   A 1 178 ? -38.583 1.471   -19.388 1.00 11.10 ? 184 ALA   B CA  1 
ATOM   1509 C C   . ALA   A 1 178 ? -37.060 1.588   -19.528 1.00 11.29 ? 184 ALA   B C   1 
ATOM   1510 O O   . ALA   A 1 178 ? -36.620 1.864   -20.641 1.00 12.25 ? 184 ALA   B O   1 
ATOM   1511 C CB  . ALA   A 1 178 ? -39.219 2.875   -19.371 1.00 12.30 ? 184 ALA   B CB  1 
ATOM   1512 N N   . ALA   A 1 179 ? -36.316 1.444   -18.459 1.00 10.35 ? 185 ALA   B N   1 
ATOM   1513 C CA  . ALA   A 1 179 ? -34.865 1.755   -18.521 1.00 10.51 ? 185 ALA   B CA  1 
ATOM   1514 C C   . ALA   A 1 179 ? -34.157 0.865   -19.553 1.00 10.14 ? 185 ALA   B C   1 
ATOM   1515 O O   . ALA   A 1 179 ? -34.541 -0.293  -19.808 1.00 9.94  ? 185 ALA   B O   1 
ATOM   1516 C CB  . ALA   A 1 179 ? -34.225 1.601   -17.171 1.00 10.97 ? 185 ALA   B CB  1 
ATOM   1517 N N   . PRO   A 1 180 ? -33.071 1.358   -20.165 1.00 10.31 ? 186 PRO   B N   1 
ATOM   1518 C CA  . PRO   A 1 180 ? -32.327 0.568   -21.155 1.00 10.32 ? 186 PRO   B CA  1 
ATOM   1519 C C   . PRO   A 1 180 ? -31.403 -0.518  -20.565 1.00 9.33  ? 186 PRO   B C   1 
ATOM   1520 O O   . PRO   A 1 180 ? -31.070 -0.473  -19.424 1.00 10.37 ? 186 PRO   B O   1 
ATOM   1521 C CB  . PRO   A 1 180 ? -31.429 1.647   -21.816 1.00 11.08 ? 186 PRO   B CB  1 
ATOM   1522 C CG  . PRO   A 1 180 ? -31.171 2.615   -20.716 1.00 13.56 ? 186 PRO   B CG  1 
ATOM   1523 C CD  . PRO   A 1 180 ? -32.510 2.714   -19.993 1.00 12.25 ? 186 PRO   B CD  1 
ATOM   1524 N N   . LEU   A 1 181 ? -31.039 -1.455  -21.424 1.00 9.72  ? 187 LEU   B N   1 
ATOM   1525 C CA  . LEU   A 1 181 ? -29.796 -2.236  -21.235 1.00 9.40  ? 187 LEU   B CA  1 
ATOM   1526 C C   . LEU   A 1 181 ? -28.660 -1.441  -21.870 1.00 9.67  ? 187 LEU   B C   1 
ATOM   1527 O O   . LEU   A 1 181 ? -28.813 -0.943  -23.014 1.00 11.38 ? 187 LEU   B O   1 
ATOM   1528 C CB  . LEU   A 1 181 ? -29.941 -3.588  -21.897 1.00 9.28  ? 187 LEU   B CB  1 
ATOM   1529 C CG  . LEU   A 1 181 ? -30.952 -4.531  -21.253 1.00 9.94  ? 187 LEU   B CG  1 
ATOM   1530 C CD1 . LEU   A 1 181 ? -31.143 -5.804  -22.071 1.00 10.75 ? 187 LEU   B CD1 1 
ATOM   1531 C CD2 . LEU   A 1 181 ? -30.611 -4.901  -19.829 1.00 11.07 ? 187 LEU   B CD2 1 
ATOM   1532 N N   . LYS   A 1 182 ? -27.513 -1.360  -21.205 1.00 9.71  ? 188 LYS   B N   1 
ATOM   1533 C CA  . LYS   A 1 182 ? -26.363 -0.601  -21.751 1.00 10.54 ? 188 LYS   B CA  1 
ATOM   1534 C C   . LYS   A 1 182 ? -25.121 -1.480  -21.704 1.00 10.89 ? 188 LYS   B C   1 
ATOM   1535 O O   . LYS   A 1 182 ? -24.777 -2.016  -20.625 1.00 11.28 ? 188 LYS   B O   1 
ATOM   1536 C CB  . LYS   A 1 182 ? -26.075 0.700   -20.997 1.00 12.51 ? 188 LYS   B CB  1 
ATOM   1537 C CG  . LYS   A 1 182 ? -27.244 1.646   -20.798 1.00 14.87 ? 188 LYS   B CG  1 
ATOM   1538 C CD  . LYS   A 1 182 ? -26.835 2.969   -20.140 1.00 19.01 ? 188 LYS   B CD  1 
ATOM   1539 C CE  . LYS   A 1 182 ? -27.978 3.856   -19.710 1.00 22.39 ? 188 LYS   B CE  1 
ATOM   1540 N NZ  . LYS   A 1 182 ? -27.449 5.015   -18.949 1.00 28.73 ? 188 LYS   B NZ  1 
ATOM   1541 N N   . LEU   A 1 183 ? -24.386 -1.543  -22.783 1.00 10.51 ? 189 LEU   B N   1 
ATOM   1542 C CA  . LEU   A 1 183 ? -23.057 -2.205  -22.790 1.00 10.80 ? 189 LEU   B CA  1 
ATOM   1543 C C   . LEU   A 1 183 ? -22.057 -1.252  -22.161 1.00 12.49 ? 189 LEU   B C   1 
ATOM   1544 O O   . LEU   A 1 183 ? -21.907 -0.091  -22.676 1.00 15.34 ? 189 LEU   B O   1 
ATOM   1545 C CB  . LEU   A 1 183 ? -22.682 -2.584  -24.220 1.00 11.67 ? 189 LEU   B CB  1 
ATOM   1546 C CG  . LEU   A 1 183 ? -23.421 -3.840  -24.685 1.00 12.62 ? 189 LEU   B CG  1 
ATOM   1547 C CD1 . LEU   A 1 183 ? -23.626 -3.892  -26.188 1.00 15.62 ? 189 LEU   B CD1 1 
ATOM   1548 C CD2 . LEU   A 1 183 ? -22.788 -5.124  -24.110 1.00 10.98 ? 189 LEU   B CD2 1 
ATOM   1549 N N   . CYS   A 1 184 ? -21.437 -1.685  -21.076 1.00 13.92 ? 190 CYS   B N   1 
ATOM   1550 C CA  . CYS   A 1 184 ? -20.507 -0.858  -20.240 1.00 16.99 ? 190 CYS   B CA  1 
ATOM   1551 C C   . CYS   A 1 184 ? -19.140 -0.781  -20.883 1.00 18.32 ? 190 CYS   B C   1 
ATOM   1552 O O   . CYS   A 1 184 ? -18.653 -1.753  -21.421 1.00 20.61 ? 190 CYS   B O   1 
ATOM   1553 C CB  . CYS   A 1 184 ? -20.176 -1.538  -18.925 1.00 19.67 ? 190 CYS   B CB  1 
ATOM   1554 S SG  . CYS   A 1 184 ? -21.605 -2.045  -17.987 1.00 19.87 ? 190 CYS   B SG  1 
ATOM   1555 N N   . PRO   A 1 185 ? -18.441 0.369   -20.759 1.00 23.98 ? 191 PRO   B N   1 
ATOM   1556 C CA  . PRO   A 1 185 ? -17.118 0.524   -21.336 1.00 29.34 ? 191 PRO   B CA  1 
ATOM   1557 C C   . PRO   A 1 185 ? -16.138 -0.391  -20.597 1.00 29.23 ? 191 PRO   B C   1 
ATOM   1558 O O   . PRO   A 1 185 ? -16.308 -0.626  -19.401 1.00 30.61 ? 191 PRO   B O   1 
ATOM   1559 C CB  . PRO   A 1 185 ? -16.832 2.032   -21.166 1.00 28.35 ? 191 PRO   B CB  1 
ATOM   1560 C CG  . PRO   A 1 185 ? -17.680 2.451   -20.002 1.00 27.94 ? 191 PRO   B CG  1 
ATOM   1561 C CD  . PRO   A 1 185 ? -18.924 1.596   -20.108 1.00 26.02 ? 191 PRO   B CD  1 
ATOM   1562 N N   . LEU   A 1 186 ? -15.159 -0.877  -21.365 1.00 36.78 ? 192 LEU   B N   1 
ATOM   1563 C CA  . LEU   A 1 186 ? -13.895 -1.540  -20.945 1.00 37.00 ? 192 LEU   B CA  1 
ATOM   1564 C C   . LEU   A 1 186 ? -13.104 -0.620  -20.011 1.00 43.24 ? 192 LEU   B C   1 
ATOM   1565 O O   . LEU   A 1 186 ? -12.311 -1.136  -19.215 1.00 47.99 ? 192 LEU   B O   1 
ATOM   1566 C CB  . LEU   A 1 186 ? -13.078 -1.844  -22.204 1.00 37.37 ? 192 LEU   B CB  1 
HETATM 1567 N N1  . A1BFL B 2 .   ? -46.024 -6.120  -29.206 0.45 18.79 ? 201 A1BFL B N1  1 
HETATM 1568 C C4  . A1BFL B 2 .   ? -47.484 -5.630  -25.886 0.45 20.48 ? 201 A1BFL B C4  1 
HETATM 1569 C C5  . A1BFL B 2 .   ? -46.390 -3.722  -26.462 0.45 21.01 ? 201 A1BFL B C5  1 
HETATM 1570 C C6  . A1BFL B 2 .   ? -45.994 -4.233  -27.670 0.45 20.82 ? 201 A1BFL B C6  1 
HETATM 1571 C C7  . A1BFL B 2 .   ? -43.670 -5.952  -30.040 0.45 17.55 ? 201 A1BFL B C7  1 
HETATM 1572 C C8  . A1BFL B 2 .   ? -43.021 -5.728  -28.690 0.45 17.27 ? 201 A1BFL B C8  1 
HETATM 1573 C C10 . A1BFL B 2 .   ? -43.090 -7.988  -29.146 0.45 17.44 ? 201 A1BFL B C10 1 
HETATM 1574 C C1  . A1BFL B 2 .   ? -45.119 -5.522  -30.180 0.45 18.67 ? 201 A1BFL B C1  1 
HETATM 1575 C C2  . A1BFL B 2 .   ? -46.387 -5.541  -28.013 0.45 19.61 ? 201 A1BFL B C2  1 
HETATM 1576 C C3  . A1BFL B 2 .   ? -47.153 -6.248  -27.063 0.45 19.45 ? 201 A1BFL B C3  1 
HETATM 1577 C C9  . A1BFL B 2 .   ? -42.286 -6.994  -28.411 0.45 17.81 ? 201 A1BFL B C9  1 
HETATM 1578 N N2  . A1BFL B 2 .   ? -47.119 -4.384  -25.558 0.45 20.98 ? 201 A1BFL B N2  1 
HETATM 1579 O O1  . A1BFL B 2 .   ? -43.587 -7.332  -30.304 0.45 16.97 ? 201 A1BFL B O1  1 
HETATM 1580 N N1  . EPE   C 3 .   ? -38.960 -16.781 -17.882 1.00 53.05 ? 202 EPE   B N1  1 
HETATM 1581 C C2  . EPE   C 3 .   ? -38.376 -16.667 -19.229 1.00 48.57 ? 202 EPE   B C2  1 
HETATM 1582 C C3  . EPE   C 3 .   ? -37.558 -15.411 -19.371 1.00 45.16 ? 202 EPE   B C3  1 
HETATM 1583 N N4  . EPE   C 3 .   ? -38.417 -14.257 -19.126 1.00 42.73 ? 202 EPE   B N4  1 
HETATM 1584 C C5  . EPE   C 3 .   ? -38.772 -14.310 -17.717 1.00 45.96 ? 202 EPE   B C5  1 
HETATM 1585 C C6  . EPE   C 3 .   ? -39.632 -15.527 -17.477 1.00 50.17 ? 202 EPE   B C6  1 
HETATM 1586 C C7  . EPE   C 3 .   ? -37.789 -12.997 -19.535 1.00 34.82 ? 202 EPE   B C7  1 
HETATM 1587 C C8  . EPE   C 3 .   ? -38.235 -11.778 -18.814 1.00 32.44 ? 202 EPE   B C8  1 
HETATM 1588 O O8  . EPE   C 3 .   ? -37.358 -11.510 -17.748 1.00 24.09 ? 202 EPE   B O8  1 
HETATM 1589 C C9  . EPE   C 3 .   ? -39.879 -17.930 -17.817 1.00 64.05 ? 202 EPE   B C9  1 
HETATM 1590 C C10 . EPE   C 3 .   ? -40.353 -18.265 -16.412 1.00 72.36 ? 202 EPE   B C10 1 
HETATM 1591 S S   . EPE   C 3 .   ? -41.859 -17.413 -16.035 1.00 84.48 ? 202 EPE   B S   1 
HETATM 1592 O O1S . EPE   C 3 .   ? -42.929 -18.356 -16.206 1.00 84.22 ? 202 EPE   B O1S 1 
HETATM 1593 O O2S . EPE   C 3 .   ? -41.863 -16.208 -16.816 1.00 82.61 ? 202 EPE   B O2S 1 
HETATM 1594 O O3S . EPE   C 3 .   ? -41.676 -17.068 -14.535 1.00 83.90 ? 202 EPE   B O3S 1 
HETATM 1595 C C1  . EDO   D 4 .   ? -50.459 -16.849 -33.240 1.00 33.22 ? 203 EDO   B C1  1 
HETATM 1596 O O1  . EDO   D 4 .   ? -49.145 -16.336 -33.101 1.00 27.40 ? 203 EDO   B O1  1 
HETATM 1597 C C2  . EDO   D 4 .   ? -51.163 -16.974 -31.959 1.00 33.14 ? 203 EDO   B C2  1 
HETATM 1598 O O2  . EDO   D 4 .   ? -51.144 -15.761 -31.248 1.00 40.77 ? 203 EDO   B O2  1 
HETATM 1599 S S   . SO4   E 5 .   ? -40.456 -24.531 -26.321 1.00 32.12 ? 204 SO4   B S   1 
HETATM 1600 O O1  . SO4   E 5 .   ? -39.698 -23.576 -27.073 1.00 21.96 ? 204 SO4   B O1  1 
HETATM 1601 O O2  . SO4   E 5 .   ? -41.377 -25.216 -27.188 1.00 39.66 ? 204 SO4   B O2  1 
HETATM 1602 O O3  . SO4   E 5 .   ? -39.524 -25.473 -25.736 1.00 38.43 ? 204 SO4   B O3  1 
HETATM 1603 O O4  . SO4   E 5 .   ? -41.193 -23.885 -25.240 1.00 34.75 ? 204 SO4   B O4  1 
HETATM 1604 O O   . HOH   F 6 .   ? -45.630 3.705   -34.128 1.00 18.72 ? 301 HOH   B O   1 
HETATM 1605 O O   . HOH   F 6 .   ? -38.667 -15.320 -11.630 1.00 30.25 ? 302 HOH   B O   1 
HETATM 1606 O O   . HOH   F 6 .   ? -33.767 4.938   -16.882 1.00 37.02 ? 303 HOH   B O   1 
HETATM 1607 O O   . HOH   F 6 .   ? -26.880 -28.476 -27.834 1.00 18.79 ? 304 HOH   B O   1 
HETATM 1608 O O   . HOH   F 6 .   ? -22.710 -1.843  -9.725  1.00 23.99 ? 305 HOH   B O   1 
HETATM 1609 O O   . HOH   F 6 .   ? -42.224 1.432   -22.628 1.00 34.42 ? 306 HOH   B O   1 
HETATM 1610 O O   . HOH   F 6 .   ? -40.080 -1.112  -9.783  1.00 27.57 ? 307 HOH   B O   1 
HETATM 1611 O O   . HOH   F 6 .   ? -29.447 -12.417 -37.726 1.00 19.03 ? 308 HOH   B O   1 
HETATM 1612 O O   . HOH   F 6 .   ? -47.104 -16.952 -31.720 1.00 21.11 ? 309 HOH   B O   1 
HETATM 1613 O O   . HOH   F 6 .   ? -38.270 0.551   -11.952 1.00 30.26 ? 310 HOH   B O   1 
HETATM 1614 O O   . HOH   F 6 .   ? -32.881 1.072   -33.595 1.00 18.15 ? 311 HOH   B O   1 
HETATM 1615 O O   . HOH   F 6 .   ? -18.674 -21.947 -35.770 1.00 15.13 ? 312 HOH   B O   1 
HETATM 1616 O O   . HOH   F 6 .   ? -45.514 0.095   -11.773 1.00 18.27 ? 313 HOH   B O   1 
HETATM 1617 O O   . HOH   F 6 .   ? -13.432 -23.536 -31.622 1.00 12.85 ? 314 HOH   B O   1 
HETATM 1618 O O   . HOH   F 6 .   ? -47.044 1.314   -25.632 1.00 33.47 ? 315 HOH   B O   1 
HETATM 1619 O O   . HOH   F 6 .   ? -36.231 5.552   -15.924 1.00 21.81 ? 316 HOH   B O   1 
HETATM 1620 O O   . HOH   F 6 .   ? -24.525 -30.955 -21.966 1.00 28.91 ? 317 HOH   B O   1 
HETATM 1621 O O   . HOH   F 6 .   ? -12.661 -21.264 -18.646 1.00 24.80 ? 318 HOH   B O   1 
HETATM 1622 O O   . HOH   F 6 .   ? -37.979 2.848   -22.831 1.00 17.01 ? 319 HOH   B O   1 
HETATM 1623 O O   . HOH   F 6 .   ? -35.912 -22.463 -19.572 1.00 23.30 ? 320 HOH   B O   1 
HETATM 1624 O O   . HOH   F 6 .   ? -19.380 -29.676 -15.555 1.00 26.51 ? 321 HOH   B O   1 
HETATM 1625 O O   . HOH   F 6 .   ? -45.136 7.465   -24.734 1.00 38.07 ? 322 HOH   B O   1 
HETATM 1626 O O   . HOH   F 6 .   ? -36.818 -16.286 -39.400 1.00 23.81 ? 323 HOH   B O   1 
HETATM 1627 O O   . HOH   F 6 .   ? -15.616 -5.457  -13.519 1.00 25.65 ? 324 HOH   B O   1 
HETATM 1628 O O   . HOH   F 6 .   ? -36.602 -23.074 -30.759 1.00 33.31 ? 325 HOH   B O   1 
HETATM 1629 O O   . HOH   F 6 .   ? -11.081 -21.118 -25.163 1.00 28.47 ? 326 HOH   B O   1 
HETATM 1630 O O   . HOH   F 6 .   ? -35.671 -19.175 -30.477 1.00 23.88 ? 327 HOH   B O   1 
HETATM 1631 O O   . HOH   F 6 .   ? -30.812 -6.675  -11.335 1.00 12.52 ? 328 HOH   B O   1 
HETATM 1632 O O   . HOH   F 6 .   ? -25.858 -22.674 -35.715 1.00 24.30 ? 329 HOH   B O   1 
HETATM 1633 O O   . HOH   F 6 .   ? -36.724 -25.990 -23.765 1.00 28.09 ? 330 HOH   B O   1 
HETATM 1634 O O   . HOH   F 6 .   ? -32.893 -18.130 -37.221 1.00 29.12 ? 331 HOH   B O   1 
HETATM 1635 O O   . HOH   F 6 .   ? -38.067 -14.377 -21.938 1.00 33.71 ? 332 HOH   B O   1 
HETATM 1636 O O   . HOH   F 6 .   ? -26.244 3.513   -35.259 1.00 30.02 ? 333 HOH   B O   1 
HETATM 1637 O O   . HOH   F 6 .   ? -17.614 -21.314 -12.396 1.00 14.95 ? 334 HOH   B O   1 
HETATM 1638 O O   . HOH   F 6 .   ? -9.015  -13.493 -25.218 1.00 28.79 ? 335 HOH   B O   1 
HETATM 1639 O O   . HOH   F 6 .   ? -43.021 -15.365 -10.169 1.00 19.01 ? 336 HOH   B O   1 
HETATM 1640 O O   . HOH   F 6 .   ? -16.169 -19.648 -15.615 1.00 21.58 ? 337 HOH   B O   1 
HETATM 1641 O O   . HOH   F 6 .   ? -38.780 -2.448  -21.361 1.00 12.59 ? 338 HOH   B O   1 
HETATM 1642 O O   . HOH   F 6 .   ? -23.341 4.356   -24.650 1.00 21.55 ? 339 HOH   B O   1 
HETATM 1643 O O   . HOH   F 6 .   ? -38.601 -7.634  -10.772 1.00 12.82 ? 340 HOH   B O   1 
HETATM 1644 O O   . HOH   F 6 .   ? -18.499 -4.618  -24.663 1.00 15.25 ? 341 HOH   B O   1 
HETATM 1645 O O   . HOH   F 6 .   ? -26.532 -25.706 -16.365 1.00 15.16 ? 342 HOH   B O   1 
HETATM 1646 O O   . HOH   F 6 .   ? -49.681 -1.642  -19.388 1.00 19.69 ? 343 HOH   B O   1 
HETATM 1647 O O   . HOH   F 6 .   ? -16.793 -5.544  -9.251  1.00 28.52 ? 344 HOH   B O   1 
HETATM 1648 O O   . HOH   F 6 .   ? -9.443  -18.639 -30.155 1.00 37.77 ? 345 HOH   B O   1 
HETATM 1649 O O   . HOH   F 6 .   ? -30.828 -20.313 -21.345 1.00 9.91  ? 346 HOH   B O   1 
HETATM 1650 O O   . HOH   F 6 .   ? -45.064 -12.366 -26.438 1.00 26.68 ? 347 HOH   B O   1 
HETATM 1651 O O   . HOH   F 6 .   ? -21.369 -5.994  -2.079  1.00 42.62 ? 348 HOH   B O   1 
HETATM 1652 O O   . HOH   F 6 .   ? -30.757 1.184   -17.119 1.00 20.57 ? 349 HOH   B O   1 
HETATM 1653 O O   . HOH   F 6 .   ? -17.616 -27.622 -19.623 1.00 15.85 ? 350 HOH   B O   1 
HETATM 1654 O O   . HOH   F 6 .   ? -36.229 -1.832  -33.789 1.00 14.95 ? 351 HOH   B O   1 
HETATM 1655 O O   . HOH   F 6 .   ? -40.874 -9.375  -36.788 1.00 23.44 ? 352 HOH   B O   1 
HETATM 1656 O O   . HOH   F 6 .   ? -28.413 -21.621 -8.964  1.00 14.58 ? 353 HOH   B O   1 
HETATM 1657 O O   . HOH   F 6 .   ? -17.829 -19.873 -37.509 1.00 22.24 ? 354 HOH   B O   1 
HETATM 1658 O O   . HOH   F 6 .   ? -37.226 -25.664 -11.333 1.00 35.34 ? 355 HOH   B O   1 
HETATM 1659 O O   . HOH   F 6 .   ? -19.260 -29.266 -23.506 1.00 20.20 ? 356 HOH   B O   1 
HETATM 1660 O O   . HOH   F 6 .   ? -34.068 -21.982 -31.422 1.00 16.97 ? 357 HOH   B O   1 
HETATM 1661 O O   . HOH   F 6 .   ? -23.889 1.249   -10.736 1.00 29.50 ? 358 HOH   B O   1 
HETATM 1662 O O   . HOH   F 6 .   ? -30.194 -23.898 -34.083 1.00 19.94 ? 359 HOH   B O   1 
HETATM 1663 O O   . HOH   F 6 .   ? -19.389 -4.353  -22.066 1.00 12.79 ? 360 HOH   B O   1 
HETATM 1664 O O   . HOH   F 6 .   ? -40.245 -14.348 -31.425 1.00 12.22 ? 361 HOH   B O   1 
HETATM 1665 O O   . HOH   F 6 .   ? -42.553 -5.764  -12.275 1.00 16.72 ? 362 HOH   B O   1 
HETATM 1666 O O   . HOH   F 6 .   ? -27.189 -20.305 -7.009  1.00 14.72 ? 363 HOH   B O   1 
HETATM 1667 O O   . HOH   F 6 .   ? -38.453 3.850   -42.197 1.00 24.47 ? 364 HOH   B O   1 
HETATM 1668 O O   . HOH   F 6 .   ? -32.267 -4.936  -12.948 1.00 10.65 ? 365 HOH   B O   1 
HETATM 1669 O O   . HOH   F 6 .   ? -41.698 -9.749  -43.862 1.00 26.45 ? 366 HOH   B O   1 
HETATM 1670 O O   . HOH   F 6 .   ? -33.542 -1.826  -38.351 1.00 23.51 ? 367 HOH   B O   1 
HETATM 1671 O O   . HOH   F 6 .   ? -9.394  -20.769 -28.891 1.00 28.57 ? 368 HOH   B O   1 
HETATM 1672 O O   . HOH   F 6 .   ? -25.836 -14.208 -3.039  1.00 24.08 ? 369 HOH   B O   1 
HETATM 1673 O O   . HOH   F 6 .   ? -36.496 -0.967  -22.152 1.00 12.02 ? 370 HOH   B O   1 
HETATM 1674 O O   . HOH   F 6 .   ? -20.970 -16.429 -5.499  1.00 14.58 ? 371 HOH   B O   1 
HETATM 1675 O O   . HOH   F 6 .   ? -27.772 -27.498 -25.817 1.00 25.52 ? 372 HOH   B O   1 
HETATM 1676 O O   . HOH   F 6 .   ? -42.196 -3.951  -39.459 1.00 18.31 ? 373 HOH   B O   1 
HETATM 1677 O O   . HOH   F 6 .   ? -40.780 -14.547 -8.588  1.00 26.90 ? 374 HOH   B O   1 
HETATM 1678 O O   . HOH   F 6 .   ? -41.001 -6.051  -38.074 1.00 21.69 ? 375 HOH   B O   1 
HETATM 1679 O O   . HOH   F 6 .   ? -26.780 -17.679 -7.720  1.00 13.51 ? 376 HOH   B O   1 
HETATM 1680 O O   . HOH   F 6 .   ? -26.548 1.996   -10.982 1.00 22.67 ? 377 HOH   B O   1 
HETATM 1681 O O   . HOH   F 6 .   ? -10.280 -23.537 -21.780 1.00 26.89 ? 378 HOH   B O   1 
HETATM 1682 O O   . HOH   F 6 .   ? -45.746 -14.699 -27.603 1.00 35.18 ? 379 HOH   B O   1 
HETATM 1683 O O   . HOH   F 6 .   ? -36.996 0.818   -15.572 1.00 15.27 ? 380 HOH   B O   1 
HETATM 1684 O O   . HOH   F 6 .   ? -39.748 6.392   -26.217 1.00 37.59 ? 381 HOH   B O   1 
HETATM 1685 O O   . HOH   F 6 .   ? -23.375 2.320   -22.998 1.00 24.02 ? 382 HOH   B O   1 
HETATM 1686 O O   . HOH   F 6 .   ? -19.741 1.827   -30.449 1.00 29.98 ? 383 HOH   B O   1 
HETATM 1687 O O   . HOH   F 6 .   ? -13.363 -20.977 -35.103 1.00 28.03 ? 384 HOH   B O   1 
HETATM 1688 O O   . HOH   F 6 .   ? -35.462 -4.638  -42.206 1.00 20.07 ? 385 HOH   B O   1 
HETATM 1689 O O   . HOH   F 6 .   ? -35.813 -3.492  -10.060 1.00 40.34 ? 386 HOH   B O   1 
HETATM 1690 O O   . HOH   F 6 .   ? -35.576 -17.056 -8.156  1.00 31.83 ? 387 HOH   B O   1 
HETATM 1691 O O   . HOH   F 6 .   ? -23.757 -21.051 -38.823 1.00 21.09 ? 388 HOH   B O   1 
HETATM 1692 O O   . HOH   F 6 .   ? -33.942 -21.845 -36.574 1.00 32.92 ? 389 HOH   B O   1 
HETATM 1693 O O   . HOH   F 6 .   ? -15.948 -12.000 -5.557  1.00 39.22 ? 390 HOH   B O   1 
HETATM 1694 O O   . HOH   F 6 .   ? -52.404 -14.213 -29.172 1.00 39.83 ? 391 HOH   B O   1 
HETATM 1695 O O   . HOH   F 6 .   ? -18.323 -17.344 -36.402 1.00 24.18 ? 392 HOH   B O   1 
HETATM 1696 O O   . HOH   F 6 .   ? -31.454 3.364   -26.883 1.00 19.76 ? 393 HOH   B O   1 
HETATM 1697 O O   . HOH   F 6 .   ? -30.917 4.083   -24.331 1.00 20.11 ? 394 HOH   B O   1 
HETATM 1698 O O   . HOH   F 6 .   ? -12.696 -18.463 -34.721 1.00 33.98 ? 395 HOH   B O   1 
HETATM 1699 O O   . HOH   F 6 .   ? -45.907 -4.307  -33.899 1.00 18.88 ? 396 HOH   B O   1 
HETATM 1700 O O   . HOH   F 6 .   ? -17.988 -4.299  -5.976  1.00 35.36 ? 397 HOH   B O   1 
HETATM 1701 O O   . HOH   F 6 .   ? -45.688 -19.625 -31.655 1.00 20.78 ? 398 HOH   B O   1 
HETATM 1702 O O   . HOH   F 6 .   ? -24.109 -12.349 -6.506  1.00 15.62 ? 399 HOH   B O   1 
HETATM 1703 O O   . HOH   F 6 .   ? -14.942 -19.776 -37.510 1.00 21.65 ? 400 HOH   B O   1 
HETATM 1704 O O   . HOH   F 6 .   ? -25.317 -10.440 -23.560 1.00 10.90 ? 401 HOH   B O   1 
HETATM 1705 O O   . HOH   F 6 .   ? -24.872 -15.008 -6.832  1.00 12.94 ? 402 HOH   B O   1 
HETATM 1706 O O   . HOH   F 6 .   ? -41.478 -8.517  -13.357 1.00 18.83 ? 403 HOH   B O   1 
HETATM 1707 O O   . HOH   F 6 .   ? -25.085 -11.057 -4.146  1.00 20.45 ? 404 HOH   B O   1 
HETATM 1708 O O   . HOH   F 6 .   ? -40.703 6.327   -33.149 1.00 25.28 ? 405 HOH   B O   1 
HETATM 1709 O O   . HOH   F 6 .   ? -33.379 -14.912 -7.008  1.00 19.06 ? 406 HOH   B O   1 
HETATM 1710 O O   . HOH   F 6 .   ? -25.700 -26.975 -23.830 1.00 15.35 ? 407 HOH   B O   1 
HETATM 1711 O O   . HOH   F 6 .   ? -13.235 -6.190  -29.114 1.00 28.13 ? 408 HOH   B O   1 
HETATM 1712 O O   . HOH   F 6 .   ? -16.125 -14.643 -8.595  1.00 27.92 ? 409 HOH   B O   1 
HETATM 1713 O O   . HOH   F 6 .   ? -36.354 -0.274  -41.968 1.00 35.62 ? 410 HOH   B O   1 
HETATM 1714 O O   . HOH   F 6 .   ? -28.807 7.839   -30.080 1.00 28.51 ? 411 HOH   B O   1 
HETATM 1715 O O   . HOH   F 6 .   ? -9.361  -15.904 -26.543 1.00 23.63 ? 412 HOH   B O   1 
HETATM 1716 O O   . HOH   F 6 .   ? -18.157 -16.064 -6.118  1.00 19.11 ? 413 HOH   B O   1 
HETATM 1717 O O   . HOH   F 6 .   ? -42.397 -5.016  -43.684 1.00 19.67 ? 414 HOH   B O   1 
HETATM 1718 O O   . HOH   F 6 .   ? -34.277 -7.150  -8.025  1.00 22.79 ? 415 HOH   B O   1 
HETATM 1719 O O   . HOH   F 6 .   ? -38.684 3.858   -13.701 1.00 31.84 ? 416 HOH   B O   1 
HETATM 1720 O O   . HOH   F 6 .   ? -41.211 5.364   -28.419 1.00 26.23 ? 417 HOH   B O   1 
HETATM 1721 O O   . HOH   F 6 .   ? -14.388 -16.443 -32.983 1.00 25.08 ? 418 HOH   B O   1 
HETATM 1722 O O   . HOH   F 6 .   ? -30.822 -17.413 -42.765 1.00 30.31 ? 419 HOH   B O   1 
HETATM 1723 O O   . HOH   F 6 .   ? -39.901 2.729   -16.105 1.00 15.00 ? 420 HOH   B O   1 
HETATM 1724 O O   . HOH   F 6 .   ? -25.069 7.046   -28.957 1.00 26.34 ? 421 HOH   B O   1 
HETATM 1725 O O   . HOH   F 6 .   ? -41.095 -8.701  -19.369 1.00 14.84 ? 422 HOH   B O   1 
HETATM 1726 O O   . HOH   F 6 .   ? -43.307 3.737   -18.822 1.00 19.30 ? 423 HOH   B O   1 
HETATM 1727 O O   . HOH   F 6 .   ? -39.918 -11.791 -22.497 1.00 26.26 ? 424 HOH   B O   1 
HETATM 1728 O O   . HOH   F 6 .   ? -17.853 -11.116 -35.571 1.00 23.17 ? 425 HOH   B O   1 
HETATM 1729 O O   . HOH   F 6 .   ? -40.346 -7.431  -34.888 1.00 18.76 ? 426 HOH   B O   1 
HETATM 1730 O O   . HOH   F 6 .   ? -19.967 2.328   -24.023 1.00 33.46 ? 427 HOH   B O   1 
HETATM 1731 O O   . HOH   F 6 .   ? -34.732 -9.027  -6.007  1.00 38.80 ? 428 HOH   B O   1 
HETATM 1732 O O   . HOH   F 6 .   ? -24.278 -4.304  -36.926 1.00 32.21 ? 429 HOH   B O   1 
HETATM 1733 O O   . HOH   F 6 .   ? -43.821 -0.586  -24.380 1.00 25.11 ? 430 HOH   B O   1 
HETATM 1734 O O   . HOH   F 6 .   ? -47.711 0.000   -32.807 0.50 22.01 ? 431 HOH   B O   1 
HETATM 1735 O O   . HOH   F 6 .   ? -16.111 -7.476  -11.292 1.00 23.45 ? 432 HOH   B O   1 
HETATM 1736 O O   . HOH   F 6 .   ? -32.760 -23.570 -33.501 1.00 33.12 ? 433 HOH   B O   1 
HETATM 1737 O O   . HOH   F 6 .   ? -8.463  -22.946 -30.324 1.00 26.95 ? 434 HOH   B O   1 
HETATM 1738 O O   . HOH   F 6 .   ? -36.743 -6.580  -8.976  1.00 25.88 ? 435 HOH   B O   1 
HETATM 1739 O O   . HOH   F 6 .   ? -21.648 6.935   -32.225 1.00 25.80 ? 436 HOH   B O   1 
HETATM 1740 O O   . HOH   F 6 .   ? -26.350 -28.246 -21.448 1.00 31.48 ? 437 HOH   B O   1 
HETATM 1741 O O   . HOH   F 6 .   ? -40.215 5.158   -22.067 1.00 23.07 ? 438 HOH   B O   1 
HETATM 1742 O O   . HOH   F 6 .   ? -22.886 3.430   -20.676 1.00 34.23 ? 439 HOH   B O   1 
HETATM 1743 O O   . HOH   F 6 .   ? -36.646 2.266   -43.144 1.00 34.71 ? 440 HOH   B O   1 
HETATM 1744 O O   . HOH   F 6 .   ? -15.947 -22.298 -14.499 1.00 25.47 ? 441 HOH   B O   1 
HETATM 1745 O O   . HOH   F 6 .   ? -28.372 -27.686 -16.866 1.00 20.64 ? 442 HOH   B O   1 
HETATM 1746 O O   . HOH   F 6 .   ? -38.851 -16.666 -40.941 1.00 29.60 ? 443 HOH   B O   1 
HETATM 1747 O O   . HOH   F 6 .   ? -16.041 -26.868 -17.220 1.00 28.96 ? 444 HOH   B O   1 
HETATM 1748 O O   . HOH   F 6 .   ? -26.351 -31.082 -23.933 1.00 24.03 ? 445 HOH   B O   1 
HETATM 1749 O O   . HOH   F 6 .   ? -42.327 -12.905 -22.357 1.00 26.23 ? 446 HOH   B O   1 
# 
