data_7HMI
# 
_entry.id   7HMI 
# 
_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   7HMI         pdb_00007hmi 10.2210/pdb7hmi/pdb 
WWPDB D_1001407660 ?            ?                   
# 
_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                        7HMI 
_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,N-dimethyl-5-(piperidin-4-yl)-1,2,4-oxadiazol-3-amine' 196.250   1   ?        ? ? ? 
3 non-polymer syn 1,2-ETHANEDIOL                                            62.068    1   ?        ? ? ? 
4 non-polymer syn 'SULFATE ION'                                             96.063    1   ?        ? ? ? 
5 water       nat water                                                     18.015    144 ?        ? ? ? 
# 
_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,N-dimethyl-5-(piperidin-4-yl)-1,2,4-oxadiazol-3-amine' A1BFK 
3 1,2-ETHANEDIOL                                            EDO   
4 'SULFATE ION'                                             SO4   
5 water                                                     HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   HIS n 
1 3   HIS n 
1 4   HIS n 
1 5   HIS n 
1 6   HIS n 
1 7   HIS n 
1 8   MET n 
1 9   VAL n 
1 10  HIS n 
1 11  ILE n 
1 12  THR n 
1 13  LEU n 
1 14  ASP n 
1 15  ARG n 
1 16  ASN n 
1 17  THR n 
1 18  ALA n 
1 19  ASN n 
1 20  SER n 
1 21  TRP n 
1 22  LEU n 
1 23  ILE n 
1 24  ILE n 
1 25  SER n 
1 26  LYS n 
1 27  ASP n 
1 28  ARG n 
1 29  ARG n 
1 30  GLN n 
1 31  VAL n 
1 32  ARG n 
1 33  MET n 
1 34  GLY n 
1 35  ASP n 
1 36  THR n 
1 37  HIS n 
1 38  GLN n 
1 39  ASN n 
1 40  VAL n 
1 41  SER n 
1 42  ASP n 
1 43  ASN n 
1 44  LYS n 
1 45  GLU n 
1 46  ARG n 
1 47  PHE n 
1 48  SER n 
1 49  ASN n 
1 50  TYR n 
1 51  PRO n 
1 52  MET n 
1 53  VAL n 
1 54  LEU n 
1 55  GLY n 
1 56  ALA n 
1 57  GLN n 
1 58  ARG n 
1 59  PHE n 
1 60  SER n 
1 61  SER n 
1 62  GLY n 
1 63  LYS n 
1 64  MET n 
1 65  TYR n 
1 66  TRP n 
1 67  GLU n 
1 68  VAL n 
1 69  ASP n 
1 70  VAL n 
1 71  THR n 
1 72  GLN n 
1 73  LYS n 
1 74  GLU n 
1 75  ALA n 
1 76  TRP n 
1 77  ASP n 
1 78  LEU n 
1 79  GLY n 
1 80  VAL n 
1 81  CYS n 
1 82  ARG n 
1 83  ASP n 
1 84  SER n 
1 85  VAL n 
1 86  GLN n 
1 87  ARG n 
1 88  LYS n 
1 89  GLY n 
1 90  GLN n 
1 91  PHE n 
1 92  SER n 
1 93  LEU n 
1 94  SER n 
1 95  PRO n 
1 96  GLU n 
1 97  ASN n 
1 98  GLY n 
1 99  PHE n 
1 100 TRP n 
1 101 THR n 
1 102 ILE n 
1 103 TRP n 
1 104 LEU n 
1 105 TRP n 
1 106 GLN n 
1 107 ASP n 
1 108 SER n 
1 109 TYR n 
1 110 GLU n 
1 111 ALA n 
1 112 GLY n 
1 113 THR n 
1 114 SER n 
1 115 PRO n 
1 116 GLN n 
1 117 THR n 
1 118 THR n 
1 119 LEU n 
1 120 HIS n 
1 121 ILE n 
1 122 GLN n 
1 123 VAL n 
1 124 PRO n 
1 125 PRO n 
1 126 CYS n 
1 127 GLN n 
1 128 ILE n 
1 129 GLY n 
1 130 ILE n 
1 131 PHE n 
1 132 VAL n 
1 133 ASP n 
1 134 TYR n 
1 135 GLU n 
1 136 ALA n 
1 137 GLY n 
1 138 VAL n 
1 139 VAL n 
1 140 SER n 
1 141 PHE n 
1 142 TYR n 
1 143 ASN n 
1 144 ILE n 
1 145 THR n 
1 146 ASP n 
1 147 HIS n 
1 148 GLY n 
1 149 SER n 
1 150 LEU n 
1 151 ILE n 
1 152 TYR n 
1 153 THR n 
1 154 PHE n 
1 155 SER n 
1 156 GLU n 
1 157 CYS n 
1 158 VAL n 
1 159 PHE n 
1 160 ALA n 
1 161 GLY n 
1 162 PRO n 
1 163 LEU n 
1 164 ARG n 
1 165 PRO n 
1 166 PHE n 
1 167 PHE n 
1 168 ASN n 
1 169 VAL n 
1 170 GLY n 
1 171 PHE n 
1 172 ASN n 
1 173 TYR n 
1 174 SER n 
1 175 GLY n 
1 176 GLY n 
1 177 ASN n 
1 178 ALA n 
1 179 ALA n 
1 180 PRO n 
1 181 LEU n 
1 182 LYS n 
1 183 LEU n 
1 184 CYS n 
1 185 PRO n 
1 186 LEU n 
1 187 LYS n 
1 188 MET n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   188 
_entity_src_gen.gene_src_common_name               'house mouse' 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'Trim21, Ro52, Ssa1' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Mus musculus' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     10090 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1BFK non-polymer         . 'N,N-dimethyl-5-(piperidin-4-yl)-1,2,4-oxadiazol-3-amine' ?                 'C9 H16 N4 O'    196.250 
ALA   'L-peptide linking' y ALANINE                                                   ?                 'C3 H7 N O2'     89.093  
ARG   'L-peptide linking' y ARGININE                                                  ?                 'C6 H15 N4 O2 1' 175.209 
ASN   'L-peptide linking' y ASPARAGINE                                                ?                 'C4 H8 N2 O3'    132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID'                                           ?                 'C4 H7 N O4'     133.103 
CYS   'L-peptide linking' y CYSTEINE                                                  ?                 'C3 H7 N O2 S'   121.158 
EDO   non-polymer         . 1,2-ETHANEDIOL                                            'ETHYLENE GLYCOL' 'C2 H6 O2'       62.068  
GLN   'L-peptide linking' y GLUTAMINE                                                 ?                 'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'                                           ?                 'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE                                                   ?                 'C2 H5 N O2'     75.067  
HIS   'L-peptide linking' y HISTIDINE                                                 ?                 'C6 H10 N3 O2 1' 156.162 
HOH   non-polymer         . WATER                                                     ?                 'H2 O'           18.015  
ILE   'L-peptide linking' y ISOLEUCINE                                                ?                 'C6 H13 N O2'    131.173 
LEU   'L-peptide linking' y LEUCINE                                                   ?                 'C6 H13 N O2'    131.173 
LYS   'L-peptide linking' y LYSINE                                                    ?                 'C6 H15 N2 O2 1' 147.195 
MET   'L-peptide linking' y METHIONINE                                                ?                 'C5 H11 N O2 S'  149.211 
PHE   'L-peptide linking' y PHENYLALANINE                                             ?                 'C9 H11 N O2'    165.189 
PRO   'L-peptide linking' y PROLINE                                                   ?                 'C5 H9 N O2'     115.130 
SER   'L-peptide linking' y SERINE                                                    ?                 'C3 H7 N O3'     105.093 
SO4   non-polymer         . 'SULFATE ION'                                             ?                 'O4 S -2'        96.063  
THR   'L-peptide linking' y THREONINE                                                 ?                 'C4 H9 N O3'     119.119 
TRP   'L-peptide linking' y TRYPTOPHAN                                                ?                 'C11 H12 N2 O2'  204.225 
TYR   'L-peptide linking' y TYROSINE                                                  ?                 'C9 H11 N O3'    181.189 
VAL   'L-peptide linking' y VALINE                                                    ?                 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   7   ?   ?   ?   B . n 
A 1 2   HIS 2   8   8   HIS HIS B . n 
A 1 3   HIS 3   9   9   HIS HIS B . n 
A 1 4   HIS 4   10  10  HIS HIS B . n 
A 1 5   HIS 5   11  11  HIS HIS B . n 
A 1 6   HIS 6   12  12  HIS HIS B . n 
A 1 7   HIS 7   13  13  HIS HIS B . n 
A 1 8   MET 8   14  14  MET MET B . n 
A 1 9   VAL 9   15  15  VAL VAL B . n 
A 1 10  HIS 10  16  16  HIS HIS B . n 
A 1 11  ILE 11  17  17  ILE ILE B . n 
A 1 12  THR 12  18  18  THR THR B . n 
A 1 13  LEU 13  19  19  LEU LEU B . n 
A 1 14  ASP 14  20  20  ASP ASP B . n 
A 1 15  ARG 15  21  21  ARG ARG B . n 
A 1 16  ASN 16  22  22  ASN ASN B . n 
A 1 17  THR 17  23  23  THR THR B . n 
A 1 18  ALA 18  24  24  ALA ALA B . n 
A 1 19  ASN 19  25  25  ASN ASN B . n 
A 1 20  SER 20  26  26  SER SER B . n 
A 1 21  TRP 21  27  27  TRP TRP B . n 
A 1 22  LEU 22  28  28  LEU LEU B . n 
A 1 23  ILE 23  29  29  ILE ILE B . n 
A 1 24  ILE 24  30  30  ILE ILE B . n 
A 1 25  SER 25  31  31  SER SER B . n 
A 1 26  LYS 26  32  32  LYS LYS B . n 
A 1 27  ASP 27  33  33  ASP ASP B . n 
A 1 28  ARG 28  34  34  ARG ARG B . n 
A 1 29  ARG 29  35  35  ARG ARG B . n 
A 1 30  GLN 30  36  36  GLN GLN B . n 
A 1 31  VAL 31  37  37  VAL VAL B . n 
A 1 32  ARG 32  38  38  ARG ARG B . n 
A 1 33  MET 33  39  39  MET MET B . n 
A 1 34  GLY 34  40  40  GLY GLY B . n 
A 1 35  ASP 35  41  41  ASP ASP B . n 
A 1 36  THR 36  42  42  THR THR B . n 
A 1 37  HIS 37  43  43  HIS HIS B . n 
A 1 38  GLN 38  44  44  GLN GLN B . n 
A 1 39  ASN 39  45  45  ASN ASN B . n 
A 1 40  VAL 40  46  46  VAL VAL B . n 
A 1 41  SER 41  47  47  SER SER B . n 
A 1 42  ASP 42  48  48  ASP ASP B . n 
A 1 43  ASN 43  49  49  ASN ASN B . n 
A 1 44  LYS 44  50  50  LYS LYS B . n 
A 1 45  GLU 45  51  51  GLU GLU B . n 
A 1 46  ARG 46  52  52  ARG ARG B . n 
A 1 47  PHE 47  53  53  PHE PHE B . n 
A 1 48  SER 48  54  54  SER SER B . n 
A 1 49  ASN 49  55  55  ASN ASN B . n 
A 1 50  TYR 50  56  56  TYR TYR B . n 
A 1 51  PRO 51  57  57  PRO PRO B . n 
A 1 52  MET 52  58  58  MET MET B . n 
A 1 53  VAL 53  59  59  VAL VAL B . n 
A 1 54  LEU 54  60  60  LEU LEU B . n 
A 1 55  GLY 55  61  61  GLY GLY B . n 
A 1 56  ALA 56  62  62  ALA ALA B . n 
A 1 57  GLN 57  63  63  GLN GLN B . n 
A 1 58  ARG 58  64  64  ARG ARG B . n 
A 1 59  PHE 59  65  65  PHE PHE B . n 
A 1 60  SER 60  66  66  SER SER B . n 
A 1 61  SER 61  67  67  SER SER B . n 
A 1 62  GLY 62  68  68  GLY GLY B . n 
A 1 63  LYS 63  69  69  LYS LYS B . n 
A 1 64  MET 64  70  70  MET MET B . n 
A 1 65  TYR 65  71  71  TYR TYR B . n 
A 1 66  TRP 66  72  72  TRP TRP B . n 
A 1 67  GLU 67  73  73  GLU GLU B . n 
A 1 68  VAL 68  74  74  VAL VAL B . n 
A 1 69  ASP 69  75  75  ASP ASP B . n 
A 1 70  VAL 70  76  76  VAL VAL B . n 
A 1 71  THR 71  77  77  THR THR B . n 
A 1 72  GLN 72  78  78  GLN GLN B . n 
A 1 73  LYS 73  79  79  LYS LYS B . n 
A 1 74  GLU 74  80  80  GLU GLU B . n 
A 1 75  ALA 75  81  81  ALA ALA B . n 
A 1 76  TRP 76  82  82  TRP TRP B . n 
A 1 77  ASP 77  83  83  ASP ASP B . n 
A 1 78  LEU 78  84  84  LEU LEU B . n 
A 1 79  GLY 79  85  85  GLY GLY B . n 
A 1 80  VAL 80  86  86  VAL VAL B . n 
A 1 81  CYS 81  87  87  CYS CYS B . n 
A 1 82  ARG 82  88  88  ARG ARG B . n 
A 1 83  ASP 83  89  89  ASP ASP B . n 
A 1 84  SER 84  90  90  SER SER B . n 
A 1 85  VAL 85  91  91  VAL VAL B . n 
A 1 86  GLN 86  92  92  GLN GLN B . n 
A 1 87  ARG 87  93  93  ARG ARG B . n 
A 1 88  LYS 88  94  94  LYS LYS B . n 
A 1 89  GLY 89  95  95  GLY GLY B . n 
A 1 90  GLN 90  96  96  GLN GLN B . n 
A 1 91  PHE 91  97  97  PHE PHE B . n 
A 1 92  SER 92  98  98  SER SER B . n 
A 1 93  LEU 93  99  99  LEU LEU B . n 
A 1 94  SER 94  100 100 SER SER B . n 
A 1 95  PRO 95  101 101 PRO PRO B . n 
A 1 96  GLU 96  102 102 GLU GLU B . n 
A 1 97  ASN 97  103 103 ASN ASN B . n 
A 1 98  GLY 98  104 104 GLY GLY B . n 
A 1 99  PHE 99  105 105 PHE PHE B . n 
A 1 100 TRP 100 106 106 TRP TRP B . n 
A 1 101 THR 101 107 107 THR THR B . n 
A 1 102 ILE 102 108 108 ILE ILE B . n 
A 1 103 TRP 103 109 109 TRP TRP B . n 
A 1 104 LEU 104 110 110 LEU LEU B . n 
A 1 105 TRP 105 111 111 TRP TRP B . n 
A 1 106 GLN 106 112 112 GLN GLN B . n 
A 1 107 ASP 107 113 113 ASP ASP B . n 
A 1 108 SER 108 114 114 SER SER B . n 
A 1 109 TYR 109 115 115 TYR TYR B . n 
A 1 110 GLU 110 116 116 GLU GLU B . n 
A 1 111 ALA 111 117 117 ALA ALA B . n 
A 1 112 GLY 112 118 118 GLY GLY B . n 
A 1 113 THR 113 119 119 THR THR B . n 
A 1 114 SER 114 120 120 SER SER B . n 
A 1 115 PRO 115 121 121 PRO PRO B . n 
A 1 116 GLN 116 122 122 GLN GLN B . n 
A 1 117 THR 117 123 123 THR THR B . n 
A 1 118 THR 118 124 124 THR THR B . n 
A 1 119 LEU 119 125 125 LEU LEU B . n 
A 1 120 HIS 120 126 126 HIS HIS B . n 
A 1 121 ILE 121 127 127 ILE ILE B . n 
A 1 122 GLN 122 128 128 GLN GLN B . n 
A 1 123 VAL 123 129 129 VAL VAL B . n 
A 1 124 PRO 124 130 130 PRO PRO B . n 
A 1 125 PRO 125 131 131 PRO PRO B . n 
A 1 126 CYS 126 132 132 CYS CYS B . n 
A 1 127 GLN 127 133 133 GLN GLN B . n 
A 1 128 ILE 128 134 134 ILE ILE B . n 
A 1 129 GLY 129 135 135 GLY GLY B . n 
A 1 130 ILE 130 136 136 ILE ILE B . n 
A 1 131 PHE 131 137 137 PHE PHE B . n 
A 1 132 VAL 132 138 138 VAL VAL B . n 
A 1 133 ASP 133 139 139 ASP ASP B . n 
A 1 134 TYR 134 140 140 TYR TYR B . n 
A 1 135 GLU 135 141 141 GLU GLU B . n 
A 1 136 ALA 136 142 142 ALA ALA B . n 
A 1 137 GLY 137 143 143 GLY GLY B . n 
A 1 138 VAL 138 144 144 VAL VAL B . n 
A 1 139 VAL 139 145 145 VAL VAL B . n 
A 1 140 SER 140 146 146 SER SER B . n 
A 1 141 PHE 141 147 147 PHE PHE B . n 
A 1 142 TYR 142 148 148 TYR TYR B . n 
A 1 143 ASN 143 149 149 ASN ASN B . n 
A 1 144 ILE 144 150 150 ILE ILE B . n 
A 1 145 THR 145 151 151 THR THR B . n 
A 1 146 ASP 146 152 152 ASP ASP B . n 
A 1 147 HIS 147 153 153 HIS HIS B . n 
A 1 148 GLY 148 154 154 GLY GLY B . n 
A 1 149 SER 149 155 155 SER SER B . n 
A 1 150 LEU 150 156 156 LEU LEU B . n 
A 1 151 ILE 151 157 157 ILE ILE B . n 
A 1 152 TYR 152 158 158 TYR TYR B . n 
A 1 153 THR 153 159 159 THR THR B . n 
A 1 154 PHE 154 160 160 PHE PHE B . n 
A 1 155 SER 155 161 161 SER SER B . n 
A 1 156 GLU 156 162 162 GLU GLU B . n 
A 1 157 CYS 157 163 163 CYS CYS B . n 
A 1 158 VAL 158 164 164 VAL VAL B . n 
A 1 159 PHE 159 165 165 PHE PHE B . n 
A 1 160 ALA 160 166 166 ALA ALA B . n 
A 1 161 GLY 161 167 167 GLY GLY B . n 
A 1 162 PRO 162 168 168 PRO PRO B . n 
A 1 163 LEU 163 169 169 LEU LEU B . n 
A 1 164 ARG 164 170 170 ARG ARG B . n 
A 1 165 PRO 165 171 171 PRO PRO B . n 
A 1 166 PHE 166 172 172 PHE PHE B . n 
A 1 167 PHE 167 173 173 PHE PHE B . n 
A 1 168 ASN 168 174 174 ASN ASN B . n 
A 1 169 VAL 169 175 175 VAL VAL B . n 
A 1 170 GLY 170 176 176 GLY GLY B . n 
A 1 171 PHE 171 177 177 PHE PHE B . n 
A 1 172 ASN 172 178 178 ASN ASN B . n 
A 1 173 TYR 173 179 179 TYR TYR B . n 
A 1 174 SER 174 180 180 SER SER B . n 
A 1 175 GLY 175 181 181 GLY GLY B . n 
A 1 176 GLY 176 182 182 GLY GLY B . n 
A 1 177 ASN 177 183 183 ASN ASN B . n 
A 1 178 ALA 178 184 184 ALA ALA B . n 
A 1 179 ALA 179 185 185 ALA ALA B . n 
A 1 180 PRO 180 186 186 PRO PRO B . n 
A 1 181 LEU 181 187 187 LEU LEU B . n 
A 1 182 LYS 182 188 188 LYS LYS B . n 
A 1 183 LEU 183 189 189 LEU LEU B . n 
A 1 184 CYS 184 190 190 CYS CYS B . n 
A 1 185 PRO 185 191 191 PRO PRO B . n 
A 1 186 LEU 186 192 192 LEU LEU B . n 
A 1 187 LYS 187 193 ?   ?   ?   B . n 
A 1 188 MET 188 194 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1BFK 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BFK 
_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 A1BFK 1   201 201 A1BFK LIG B . 
C 3 EDO   1   202 305 EDO   EDO B . 
D 4 SO4   1   203 1   SO4   SO4 B . 
E 5 HOH   1   301 34  HOH   HOH B . 
E 5 HOH   2   302 11  HOH   HOH B . 
E 5 HOH   3   303 107 HOH   HOH B . 
E 5 HOH   4   304 29  HOH   HOH B . 
E 5 HOH   5   305 9   HOH   HOH B . 
E 5 HOH   6   306 2   HOH   HOH B . 
E 5 HOH   7   307 12  HOH   HOH B . 
E 5 HOH   8   308 33  HOH   HOH B . 
E 5 HOH   9   309 1   HOH   HOH B . 
E 5 HOH   10  310 99  HOH   HOH B . 
E 5 HOH   11  311 16  HOH   HOH B . 
E 5 HOH   12  312 102 HOH   HOH B . 
E 5 HOH   13  313 5   HOH   HOH B . 
E 5 HOH   14  314 16  HOH   HOH B . 
E 5 HOH   15  315 63  HOH   HOH B . 
E 5 HOH   16  316 40  HOH   HOH B . 
E 5 HOH   17  317 26  HOH   HOH B . 
E 5 HOH   18  318 21  HOH   HOH B . 
E 5 HOH   19  319 95  HOH   HOH B . 
E 5 HOH   20  320 10  HOH   HOH B . 
E 5 HOH   21  321 4   HOH   HOH B . 
E 5 HOH   22  322 281 HOH   HOH B . 
E 5 HOH   23  323 11  HOH   HOH B . 
E 5 HOH   24  324 18  HOH   HOH B . 
E 5 HOH   25  325 27  HOH   HOH B . 
E 5 HOH   26  326 34  HOH   HOH B . 
E 5 HOH   27  327 51  HOH   HOH B . 
E 5 HOH   28  328 90  HOH   HOH B . 
E 5 HOH   29  329 27  HOH   HOH B . 
E 5 HOH   30  330 70  HOH   HOH B . 
E 5 HOH   31  331 100 HOH   HOH B . 
E 5 HOH   32  332 129 HOH   HOH B . 
E 5 HOH   33  333 66  HOH   HOH B . 
E 5 HOH   34  334 19  HOH   HOH B . 
E 5 HOH   35  335 36  HOH   HOH B . 
E 5 HOH   36  336 31  HOH   HOH B . 
E 5 HOH   37  337 72  HOH   HOH B . 
E 5 HOH   38  338 39  HOH   HOH B . 
E 5 HOH   39  339 214 HOH   HOH B . 
E 5 HOH   40  340 25  HOH   HOH B . 
E 5 HOH   41  341 68  HOH   HOH B . 
E 5 HOH   42  342 263 HOH   HOH B . 
E 5 HOH   43  343 85  HOH   HOH B . 
E 5 HOH   44  344 43  HOH   HOH B . 
E 5 HOH   45  345 22  HOH   HOH B . 
E 5 HOH   46  346 58  HOH   HOH B . 
E 5 HOH   47  347 156 HOH   HOH B . 
E 5 HOH   48  348 7   HOH   HOH B . 
E 5 HOH   49  349 62  HOH   HOH B . 
E 5 HOH   50  350 81  HOH   HOH B . 
E 5 HOH   51  351 26  HOH   HOH B . 
E 5 HOH   52  352 29  HOH   HOH B . 
E 5 HOH   53  353 137 HOH   HOH B . 
E 5 HOH   54  354 89  HOH   HOH B . 
E 5 HOH   55  355 3   HOH   HOH B . 
E 5 HOH   56  356 20  HOH   HOH B . 
E 5 HOH   57  357 76  HOH   HOH B . 
E 5 HOH   58  358 112 HOH   HOH B . 
E 5 HOH   59  359 267 HOH   HOH B . 
E 5 HOH   60  360 211 HOH   HOH B . 
E 5 HOH   61  361 93  HOH   HOH B . 
E 5 HOH   62  362 50  HOH   HOH B . 
E 5 HOH   63  363 2   HOH   HOH B . 
E 5 HOH   64  364 86  HOH   HOH B . 
E 5 HOH   65  365 15  HOH   HOH B . 
E 5 HOH   66  366 71  HOH   HOH B . 
E 5 HOH   67  367 55  HOH   HOH B . 
E 5 HOH   68  368 80  HOH   HOH B . 
E 5 HOH   69  369 4   HOH   HOH B . 
E 5 HOH   70  370 1   HOH   HOH B . 
E 5 HOH   71  371 172 HOH   HOH B . 
E 5 HOH   72  372 10  HOH   HOH B . 
E 5 HOH   73  373 47  HOH   HOH B . 
E 5 HOH   74  374 73  HOH   HOH B . 
E 5 HOH   75  375 6   HOH   HOH B . 
E 5 HOH   76  376 64  HOH   HOH B . 
E 5 HOH   77  377 157 HOH   HOH B . 
E 5 HOH   78  378 8   HOH   HOH B . 
E 5 HOH   79  379 28  HOH   HOH B . 
E 5 HOH   80  380 61  HOH   HOH B . 
E 5 HOH   81  381 126 HOH   HOH B . 
E 5 HOH   82  382 304 HOH   HOH B . 
E 5 HOH   83  383 42  HOH   HOH B . 
E 5 HOH   84  384 33  HOH   HOH B . 
E 5 HOH   85  385 59  HOH   HOH B . 
E 5 HOH   86  386 24  HOH   HOH B . 
E 5 HOH   87  387 23  HOH   HOH B . 
E 5 HOH   88  388 14  HOH   HOH B . 
E 5 HOH   89  389 12  HOH   HOH B . 
E 5 HOH   90  390 46  HOH   HOH B . 
E 5 HOH   91  391 30  HOH   HOH B . 
E 5 HOH   92  392 8   HOH   HOH B . 
E 5 HOH   93  393 49  HOH   HOH B . 
E 5 HOH   94  394 3   HOH   HOH B . 
E 5 HOH   95  395 97  HOH   HOH B . 
E 5 HOH   96  396 197 HOH   HOH B . 
E 5 HOH   97  397 48  HOH   HOH B . 
E 5 HOH   98  398 303 HOH   HOH B . 
E 5 HOH   99  399 13  HOH   HOH B . 
E 5 HOH   100 400 60  HOH   HOH B . 
E 5 HOH   101 401 257 HOH   HOH B . 
E 5 HOH   102 402 22  HOH   HOH B . 
E 5 HOH   103 403 25  HOH   HOH B . 
E 5 HOH   104 404 32  HOH   HOH B . 
E 5 HOH   105 405 82  HOH   HOH B . 
E 5 HOH   106 406 154 HOH   HOH B . 
E 5 HOH   107 407 20  HOH   HOH B . 
E 5 HOH   108 408 7   HOH   HOH B . 
E 5 HOH   109 409 53  HOH   HOH B . 
E 5 HOH   110 410 56  HOH   HOH B . 
E 5 HOH   111 411 15  HOH   HOH B . 
E 5 HOH   112 412 54  HOH   HOH B . 
E 5 HOH   113 413 140 HOH   HOH B . 
E 5 HOH   114 414 45  HOH   HOH B . 
E 5 HOH   115 415 125 HOH   HOH B . 
E 5 HOH   116 416 38  HOH   HOH B . 
E 5 HOH   117 417 57  HOH   HOH B . 
E 5 HOH   118 418 17  HOH   HOH B . 
E 5 HOH   119 419 264 HOH   HOH B . 
E 5 HOH   120 420 69  HOH   HOH B . 
E 5 HOH   121 421 44  HOH   HOH B . 
E 5 HOH   122 422 41  HOH   HOH B . 
E 5 HOH   123 423 120 HOH   HOH B . 
E 5 HOH   124 424 103 HOH   HOH B . 
E 5 HOH   125 425 5   HOH   HOH B . 
E 5 HOH   126 426 114 HOH   HOH B . 
E 5 HOH   127 427 30  HOH   HOH B . 
E 5 HOH   128 428 19  HOH   HOH B . 
E 5 HOH   129 429 133 HOH   HOH B . 
E 5 HOH   130 430 18  HOH   HOH B . 
E 5 HOH   131 431 266 HOH   HOH B . 
E 5 HOH   132 432 115 HOH   HOH B . 
E 5 HOH   133 433 13  HOH   HOH B . 
E 5 HOH   134 434 21  HOH   HOH B . 
E 5 HOH   135 435 23  HOH   HOH B . 
E 5 HOH   136 436 104 HOH   HOH B . 
E 5 HOH   137 437 98  HOH   HOH B . 
E 5 HOH   138 438 166 HOH   HOH B . 
E 5 HOH   139 439 205 HOH   HOH B . 
E 5 HOH   140 440 127 HOH   HOH B . 
E 5 HOH   141 441 14  HOH   HOH B . 
E 5 HOH   142 442 131 HOH   HOH B . 
E 5 HOH   143 443 270 HOH   HOH B . 
E 5 HOH   144 444 259 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           7HMI 
_cell.length_a           95.630 
_cell.length_b           95.630 
_cell.length_c           45.892 
_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                         7HMI 
_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          7HMI 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.43 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   49.37 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-07-10 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92134 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92134 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HMI 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.610 
_reflns.d_resolution_high            1.420 
_reflns.number_obs                   39275 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         100.000 
_reflns.pdbx_Rmerge_I_obs            0.209 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        9.600 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              12.700 
_reflns.pdbx_Rrim_I_all              0.218 
_reflns.pdbx_Rpim_I_all              0.060 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     499362 
_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 1.420 1.440  ? 17139 1929 ? 4.556 ? ? ? 8.900  ? 0.500  ? ? ? ? ? ? 99.800 4.837 1.614 0.370 
1 2 7.780 67.610 ? 3059  265  ? 0.077 ? ? ? 11.500 ? 49.600 ? ? ? ? ? ? 99.900 0.080 0.024 0.996 
# 
_refine.entry_id                                 7HMI 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.4200 
_refine.ls_d_res_low                             67.6200 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    99.9200 
_refine.ls_number_reflns_obs                     37363 
_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                          0.1865 
_refine.ls_R_factor_R_work                       0.1850 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2151 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  1908 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               18.6380 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.2400 
_refine.aniso_B[2][2]                            0.2400 
_refine.aniso_B[3][3]                            -0.4800 
_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               0.9660 
_refine.correlation_coeff_Fo_to_Fc_free          0.9490 
_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                       0.0680 
_refine.pdbx_overall_ESU_R_Free                  0.0710 
_refine.overall_SU_ML                            0.0630 
_refine.overall_SU_B                             1.7860 
_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                                87.040 
_refine.B_iso_min                                9.910 
_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                       1.4200 
_refine_hist.d_res_low                        67.6200 
_refine_hist.pdbx_number_atoms_ligand         23 
_refine_hist.number_atoms_solvent             144 
_refine_hist.number_atoms_total               1660 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           36.46 
_refine_hist.pdbx_B_iso_mean_solvent          29.20 
_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       2054 0.010  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1635 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2562 1.648  1.658  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3779 1.406  1.607  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 241  7.317  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 110  26.637 21.182 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 288  12.607 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   20.867 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         222  0.080  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2282 0.009  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     498  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            973  1.537  1.702  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         965  1.525  1.681  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1153 2.462  2.519  ? ? 
# 
_refine_ls_shell.d_res_high                       1.4200 
_refine_ls_shell.d_res_low                        1.4570 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               99.5500 
_refine_ls_shell.number_reflns_R_work             2750 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3450 
_refine_ls_shell.R_factor_R_free                  0.3640 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             147 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                2897 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HMI 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z1742054999' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HMI 
_struct_keywords.text            'SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, TRIM21, LIGASE' 
_struct_keywords.pdbx_keywords   LIGASE 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RO52_MOUSE 
_struct_ref.pdbx_db_accession          Q62191 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;VHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGVCRDSVQRK
GQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFAGPLRPFFN
VGFNYSGGNAAPLKLCPLKM
;
_struct_ref.pdbx_align_begin           291 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HMI 
_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 7HMI MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HMI HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HMI HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HMI HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HMI HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HMI HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HMI HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HMI MET B 8 ? UNP Q62191 ? ? 'expression tag'        14 8 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 HIS A 4  ? MET A 8  ? HIS B 10  MET B 14  5 ? 5 
HELX_P HELX_P2 AA2 ASP A 14 ? ALA A 18 ? ASP B 20  ALA B 24  5 ? 5 
HELX_P HELX_P3 AA3 SER A 94 ? ASN A 97 ? SER B 100 ASN B 103 5 ? 4 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          SER 
_struct_mon_prot_cis.label_seq_id           114 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           SER 
_struct_mon_prot_cis.auth_seq_id            120 
_struct_mon_prot_cis.auth_asym_id           B 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    115 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     121 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    B 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       -0.19 
# 
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                   7HMI 
_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_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    ASP 
_pdbx_validate_torsion.auth_asym_id    B 
_pdbx_validate_torsion.auth_seq_id     152 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -108.13 
_pdbx_validate_torsion.psi             53.30 
# 
_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     426 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   E 
_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 
A1BFK C10  C N N 1   
A1BFK N12  N N N 2   
A1BFK C13  C N N 3   
A1BFK C01  C N N 4   
A1BFK C03  C N N 5   
A1BFK C04  C Y N 6   
A1BFK C07  C Y N 7   
A1BFK C09  C N N 8   
A1BFK C11  C N N 9   
A1BFK C14  C N N 10  
A1BFK N02  N N N 11  
A1BFK N05  N Y N 12  
A1BFK N08  N Y N 13  
A1BFK O06  O Y N 14  
A1BFK H101 H N N 15  
A1BFK H102 H N N 16  
A1BFK H121 H N N 17  
A1BFK H131 H N N 18  
A1BFK H132 H N N 19  
A1BFK H011 H N N 20  
A1BFK H013 H N N 21  
A1BFK H012 H N N 22  
A1BFK H033 H N N 23  
A1BFK H031 H N N 24  
A1BFK H032 H N N 25  
A1BFK H091 H N N 26  
A1BFK H111 H N N 27  
A1BFK H112 H N N 28  
A1BFK H141 H N N 29  
A1BFK H142 H N N 30  
ALA   N    N N N 31  
ALA   CA   C N S 32  
ALA   C    C N N 33  
ALA   O    O N N 34  
ALA   CB   C N N 35  
ALA   OXT  O N N 36  
ALA   H    H N N 37  
ALA   H2   H N N 38  
ALA   HA   H N N 39  
ALA   HB1  H N N 40  
ALA   HB2  H N N 41  
ALA   HB3  H N N 42  
ALA   HXT  H N N 43  
ARG   N    N N N 44  
ARG   CA   C N S 45  
ARG   C    C N N 46  
ARG   O    O N N 47  
ARG   CB   C N N 48  
ARG   CG   C N N 49  
ARG   CD   C N N 50  
ARG   NE   N N N 51  
ARG   CZ   C N N 52  
ARG   NH1  N N N 53  
ARG   NH2  N N N 54  
ARG   OXT  O N N 55  
ARG   H    H N N 56  
ARG   H2   H N N 57  
ARG   HA   H N N 58  
ARG   HB2  H N N 59  
ARG   HB3  H N N 60  
ARG   HG2  H N N 61  
ARG   HG3  H N N 62  
ARG   HD2  H N N 63  
ARG   HD3  H N N 64  
ARG   HE   H N N 65  
ARG   HH11 H N N 66  
ARG   HH12 H N N 67  
ARG   HH21 H N N 68  
ARG   HH22 H N N 69  
ARG   HXT  H N N 70  
ASN   N    N N N 71  
ASN   CA   C N S 72  
ASN   C    C N N 73  
ASN   O    O N N 74  
ASN   CB   C N N 75  
ASN   CG   C N N 76  
ASN   OD1  O N N 77  
ASN   ND2  N N N 78  
ASN   OXT  O N N 79  
ASN   H    H N N 80  
ASN   H2   H N N 81  
ASN   HA   H N N 82  
ASN   HB2  H N N 83  
ASN   HB3  H N N 84  
ASN   HD21 H N N 85  
ASN   HD22 H N N 86  
ASN   HXT  H N N 87  
ASP   N    N N N 88  
ASP   CA   C N S 89  
ASP   C    C N N 90  
ASP   O    O N N 91  
ASP   CB   C N N 92  
ASP   CG   C N N 93  
ASP   OD1  O N N 94  
ASP   OD2  O N N 95  
ASP   OXT  O N N 96  
ASP   H    H N N 97  
ASP   H2   H N N 98  
ASP   HA   H N N 99  
ASP   HB2  H N N 100 
ASP   HB3  H N N 101 
ASP   HD2  H N N 102 
ASP   HXT  H N N 103 
CYS   N    N N N 104 
CYS   CA   C N R 105 
CYS   C    C N N 106 
CYS   O    O N N 107 
CYS   CB   C N N 108 
CYS   SG   S N N 109 
CYS   OXT  O N N 110 
CYS   H    H N N 111 
CYS   H2   H N N 112 
CYS   HA   H N N 113 
CYS   HB2  H N N 114 
CYS   HB3  H N N 115 
CYS   HG   H N N 116 
CYS   HXT  H N N 117 
EDO   C1   C N N 118 
EDO   O1   O N N 119 
EDO   C2   C N N 120 
EDO   O2   O N N 121 
EDO   H11  H N N 122 
EDO   H12  H N N 123 
EDO   HO1  H N N 124 
EDO   H21  H N N 125 
EDO   H22  H N N 126 
EDO   HO2  H N N 127 
GLN   N    N N N 128 
GLN   CA   C N S 129 
GLN   C    C N N 130 
GLN   O    O N N 131 
GLN   CB   C N N 132 
GLN   CG   C N N 133 
GLN   CD   C N N 134 
GLN   OE1  O N N 135 
GLN   NE2  N N N 136 
GLN   OXT  O N N 137 
GLN   H    H N N 138 
GLN   H2   H N N 139 
GLN   HA   H N N 140 
GLN   HB2  H N N 141 
GLN   HB3  H N N 142 
GLN   HG2  H N N 143 
GLN   HG3  H N N 144 
GLN   HE21 H N N 145 
GLN   HE22 H N N 146 
GLN   HXT  H N N 147 
GLU   N    N N N 148 
GLU   CA   C N S 149 
GLU   C    C N N 150 
GLU   O    O N N 151 
GLU   CB   C N N 152 
GLU   CG   C N N 153 
GLU   CD   C N N 154 
GLU   OE1  O N N 155 
GLU   OE2  O N N 156 
GLU   OXT  O N N 157 
GLU   H    H N N 158 
GLU   H2   H N N 159 
GLU   HA   H N N 160 
GLU   HB2  H N N 161 
GLU   HB3  H N N 162 
GLU   HG2  H N N 163 
GLU   HG3  H N N 164 
GLU   HE2  H N N 165 
GLU   HXT  H N N 166 
GLY   N    N N N 167 
GLY   CA   C N N 168 
GLY   C    C N N 169 
GLY   O    O N N 170 
GLY   OXT  O N N 171 
GLY   H    H N N 172 
GLY   H2   H N N 173 
GLY   HA2  H N N 174 
GLY   HA3  H N N 175 
GLY   HXT  H N N 176 
HIS   N    N N N 177 
HIS   CA   C N S 178 
HIS   C    C N N 179 
HIS   O    O N N 180 
HIS   CB   C N N 181 
HIS   CG   C Y N 182 
HIS   ND1  N Y N 183 
HIS   CD2  C Y N 184 
HIS   CE1  C Y N 185 
HIS   NE2  N Y N 186 
HIS   OXT  O N N 187 
HIS   H    H N N 188 
HIS   H2   H N N 189 
HIS   HA   H N N 190 
HIS   HB2  H N N 191 
HIS   HB3  H N N 192 
HIS   HD1  H N N 193 
HIS   HD2  H N N 194 
HIS   HE1  H N N 195 
HIS   HE2  H N N 196 
HIS   HXT  H N N 197 
HOH   O    O N N 198 
HOH   H1   H N N 199 
HOH   H2   H N N 200 
ILE   N    N N N 201 
ILE   CA   C N S 202 
ILE   C    C N N 203 
ILE   O    O N N 204 
ILE   CB   C N S 205 
ILE   CG1  C N N 206 
ILE   CG2  C N N 207 
ILE   CD1  C N N 208 
ILE   OXT  O N N 209 
ILE   H    H N N 210 
ILE   H2   H N N 211 
ILE   HA   H N N 212 
ILE   HB   H N N 213 
ILE   HG12 H N N 214 
ILE   HG13 H N N 215 
ILE   HG21 H N N 216 
ILE   HG22 H N N 217 
ILE   HG23 H N N 218 
ILE   HD11 H N N 219 
ILE   HD12 H N N 220 
ILE   HD13 H N N 221 
ILE   HXT  H N N 222 
LEU   N    N N N 223 
LEU   CA   C N S 224 
LEU   C    C N N 225 
LEU   O    O N N 226 
LEU   CB   C N N 227 
LEU   CG   C N N 228 
LEU   CD1  C N N 229 
LEU   CD2  C N N 230 
LEU   OXT  O N N 231 
LEU   H    H N N 232 
LEU   H2   H N N 233 
LEU   HA   H N N 234 
LEU   HB2  H N N 235 
LEU   HB3  H N N 236 
LEU   HG   H N N 237 
LEU   HD11 H N N 238 
LEU   HD12 H N N 239 
LEU   HD13 H N N 240 
LEU   HD21 H N N 241 
LEU   HD22 H N N 242 
LEU   HD23 H N N 243 
LEU   HXT  H N N 244 
LYS   N    N N N 245 
LYS   CA   C N S 246 
LYS   C    C N N 247 
LYS   O    O N N 248 
LYS   CB   C N N 249 
LYS   CG   C N N 250 
LYS   CD   C N N 251 
LYS   CE   C N N 252 
LYS   NZ   N N N 253 
LYS   OXT  O N N 254 
LYS   H    H N N 255 
LYS   H2   H N N 256 
LYS   HA   H N N 257 
LYS   HB2  H N N 258 
LYS   HB3  H N N 259 
LYS   HG2  H N N 260 
LYS   HG3  H N N 261 
LYS   HD2  H N N 262 
LYS   HD3  H N N 263 
LYS   HE2  H N N 264 
LYS   HE3  H N N 265 
LYS   HZ1  H N N 266 
LYS   HZ2  H N N 267 
LYS   HZ3  H N N 268 
LYS   HXT  H N N 269 
MET   N    N N N 270 
MET   CA   C N S 271 
MET   C    C N N 272 
MET   O    O N N 273 
MET   CB   C N N 274 
MET   CG   C N N 275 
MET   SD   S N N 276 
MET   CE   C N N 277 
MET   OXT  O N N 278 
MET   H    H N N 279 
MET   H2   H N N 280 
MET   HA   H N N 281 
MET   HB2  H N N 282 
MET   HB3  H N N 283 
MET   HG2  H N N 284 
MET   HG3  H N N 285 
MET   HE1  H N N 286 
MET   HE2  H N N 287 
MET   HE3  H N N 288 
MET   HXT  H N N 289 
PHE   N    N N N 290 
PHE   CA   C N S 291 
PHE   C    C N N 292 
PHE   O    O N N 293 
PHE   CB   C N N 294 
PHE   CG   C Y N 295 
PHE   CD1  C Y N 296 
PHE   CD2  C Y N 297 
PHE   CE1  C Y N 298 
PHE   CE2  C Y N 299 
PHE   CZ   C Y N 300 
PHE   OXT  O N N 301 
PHE   H    H N N 302 
PHE   H2   H N N 303 
PHE   HA   H N N 304 
PHE   HB2  H N N 305 
PHE   HB3  H N N 306 
PHE   HD1  H N N 307 
PHE   HD2  H N N 308 
PHE   HE1  H N N 309 
PHE   HE2  H N N 310 
PHE   HZ   H N N 311 
PHE   HXT  H N N 312 
PRO   N    N N N 313 
PRO   CA   C N S 314 
PRO   C    C N N 315 
PRO   O    O N N 316 
PRO   CB   C N N 317 
PRO   CG   C N N 318 
PRO   CD   C N N 319 
PRO   OXT  O N N 320 
PRO   H    H N N 321 
PRO   HA   H N N 322 
PRO   HB2  H N N 323 
PRO   HB3  H N N 324 
PRO   HG2  H N N 325 
PRO   HG3  H N N 326 
PRO   HD2  H N N 327 
PRO   HD3  H N N 328 
PRO   HXT  H N N 329 
SER   N    N N N 330 
SER   CA   C N S 331 
SER   C    C N N 332 
SER   O    O N N 333 
SER   CB   C N N 334 
SER   OG   O N N 335 
SER   OXT  O N N 336 
SER   H    H N N 337 
SER   H2   H N N 338 
SER   HA   H N N 339 
SER   HB2  H N N 340 
SER   HB3  H N N 341 
SER   HG   H N N 342 
SER   HXT  H N N 343 
SO4   S    S N N 344 
SO4   O1   O N N 345 
SO4   O2   O N N 346 
SO4   O3   O N N 347 
SO4   O4   O N N 348 
THR   N    N N N 349 
THR   CA   C N S 350 
THR   C    C N N 351 
THR   O    O N N 352 
THR   CB   C N R 353 
THR   OG1  O N N 354 
THR   CG2  C N N 355 
THR   OXT  O N N 356 
THR   H    H N N 357 
THR   H2   H N N 358 
THR   HA   H N N 359 
THR   HB   H N N 360 
THR   HG1  H N N 361 
THR   HG21 H N N 362 
THR   HG22 H N N 363 
THR   HG23 H N N 364 
THR   HXT  H N N 365 
TRP   N    N N N 366 
TRP   CA   C N S 367 
TRP   C    C N N 368 
TRP   O    O N N 369 
TRP   CB   C N N 370 
TRP   CG   C Y N 371 
TRP   CD1  C Y N 372 
TRP   CD2  C Y N 373 
TRP   NE1  N Y N 374 
TRP   CE2  C Y N 375 
TRP   CE3  C Y N 376 
TRP   CZ2  C Y N 377 
TRP   CZ3  C Y N 378 
TRP   CH2  C Y N 379 
TRP   OXT  O N N 380 
TRP   H    H N N 381 
TRP   H2   H N N 382 
TRP   HA   H N N 383 
TRP   HB2  H N N 384 
TRP   HB3  H N N 385 
TRP   HD1  H N N 386 
TRP   HE1  H N N 387 
TRP   HE3  H N N 388 
TRP   HZ2  H N N 389 
TRP   HZ3  H N N 390 
TRP   HH2  H N N 391 
TRP   HXT  H N N 392 
TYR   N    N N N 393 
TYR   CA   C N S 394 
TYR   C    C N N 395 
TYR   O    O N N 396 
TYR   CB   C N N 397 
TYR   CG   C Y N 398 
TYR   CD1  C Y N 399 
TYR   CD2  C Y N 400 
TYR   CE1  C Y N 401 
TYR   CE2  C Y N 402 
TYR   CZ   C Y N 403 
TYR   OH   O N N 404 
TYR   OXT  O N N 405 
TYR   H    H N N 406 
TYR   H2   H N N 407 
TYR   HA   H N N 408 
TYR   HB2  H N N 409 
TYR   HB3  H N N 410 
TYR   HD1  H N N 411 
TYR   HD2  H N N 412 
TYR   HE1  H N N 413 
TYR   HE2  H N N 414 
TYR   HH   H N N 415 
TYR   HXT  H N N 416 
VAL   N    N N N 417 
VAL   CA   C N S 418 
VAL   C    C N N 419 
VAL   O    O N N 420 
VAL   CB   C N N 421 
VAL   CG1  C N N 422 
VAL   CG2  C N N 423 
VAL   OXT  O N N 424 
VAL   H    H N N 425 
VAL   H2   H N N 426 
VAL   HA   H N N 427 
VAL   HB   H N N 428 
VAL   HG11 H N N 429 
VAL   HG12 H N N 430 
VAL   HG13 H N N 431 
VAL   HG21 H N N 432 
VAL   HG22 H N N 433 
VAL   HG23 H N N 434 
VAL   HXT  H N N 435 
# 
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 
A1BFK N02 C01  sing N N 1   
A1BFK C03 N02  sing N N 2   
A1BFK C04 N02  sing N N 3   
A1BFK N05 C04  doub Y N 4   
A1BFK O06 N05  sing Y N 5   
A1BFK C07 O06  sing Y N 6   
A1BFK N08 C07  doub Y N 7   
A1BFK C09 C07  sing N N 8   
A1BFK C10 C09  sing N N 9   
A1BFK C11 C10  sing N N 10  
A1BFK N12 C11  sing N N 11  
A1BFK C13 N12  sing N N 12  
A1BFK C14 C13  sing N N 13  
A1BFK C04 N08  sing Y N 14  
A1BFK C09 C14  sing N N 15  
A1BFK C10 H101 sing N N 16  
A1BFK C10 H102 sing N N 17  
A1BFK N12 H121 sing N N 18  
A1BFK C13 H131 sing N N 19  
A1BFK C13 H132 sing N N 20  
A1BFK C01 H011 sing N N 21  
A1BFK C01 H013 sing N N 22  
A1BFK C01 H012 sing N N 23  
A1BFK C03 H033 sing N N 24  
A1BFK C03 H031 sing N N 25  
A1BFK C03 H032 sing N N 26  
A1BFK C09 H091 sing N N 27  
A1BFK C11 H111 sing N N 28  
A1BFK C11 H112 sing N N 29  
A1BFK C14 H141 sing N N 30  
A1BFK C14 H142 sing N N 31  
ALA   N   CA   sing N N 32  
ALA   N   H    sing N N 33  
ALA   N   H2   sing N N 34  
ALA   CA  C    sing N N 35  
ALA   CA  CB   sing N N 36  
ALA   CA  HA   sing N N 37  
ALA   C   O    doub N N 38  
ALA   C   OXT  sing N N 39  
ALA   CB  HB1  sing N N 40  
ALA   CB  HB2  sing N N 41  
ALA   CB  HB3  sing N N 42  
ALA   OXT HXT  sing N N 43  
ARG   N   CA   sing N N 44  
ARG   N   H    sing N N 45  
ARG   N   H2   sing N N 46  
ARG   CA  C    sing N N 47  
ARG   CA  CB   sing N N 48  
ARG   CA  HA   sing N N 49  
ARG   C   O    doub N N 50  
ARG   C   OXT  sing N N 51  
ARG   CB  CG   sing N N 52  
ARG   CB  HB2  sing N N 53  
ARG   CB  HB3  sing N N 54  
ARG   CG  CD   sing N N 55  
ARG   CG  HG2  sing N N 56  
ARG   CG  HG3  sing N N 57  
ARG   CD  NE   sing N N 58  
ARG   CD  HD2  sing N N 59  
ARG   CD  HD3  sing N N 60  
ARG   NE  CZ   sing N N 61  
ARG   NE  HE   sing N N 62  
ARG   CZ  NH1  sing N N 63  
ARG   CZ  NH2  doub N N 64  
ARG   NH1 HH11 sing N N 65  
ARG   NH1 HH12 sing N N 66  
ARG   NH2 HH21 sing N N 67  
ARG   NH2 HH22 sing N N 68  
ARG   OXT HXT  sing N N 69  
ASN   N   CA   sing N N 70  
ASN   N   H    sing N N 71  
ASN   N   H2   sing N N 72  
ASN   CA  C    sing N N 73  
ASN   CA  CB   sing N N 74  
ASN   CA  HA   sing N N 75  
ASN   C   O    doub N N 76  
ASN   C   OXT  sing N N 77  
ASN   CB  CG   sing N N 78  
ASN   CB  HB2  sing N N 79  
ASN   CB  HB3  sing N N 80  
ASN   CG  OD1  doub N N 81  
ASN   CG  ND2  sing N N 82  
ASN   ND2 HD21 sing N N 83  
ASN   ND2 HD22 sing N N 84  
ASN   OXT HXT  sing N N 85  
ASP   N   CA   sing N N 86  
ASP   N   H    sing N N 87  
ASP   N   H2   sing N N 88  
ASP   CA  C    sing N N 89  
ASP   CA  CB   sing N N 90  
ASP   CA  HA   sing N N 91  
ASP   C   O    doub N N 92  
ASP   C   OXT  sing N N 93  
ASP   CB  CG   sing N N 94  
ASP   CB  HB2  sing N N 95  
ASP   CB  HB3  sing N N 96  
ASP   CG  OD1  doub N N 97  
ASP   CG  OD2  sing N N 98  
ASP   OD2 HD2  sing N N 99  
ASP   OXT HXT  sing N N 100 
CYS   N   CA   sing N N 101 
CYS   N   H    sing N N 102 
CYS   N   H2   sing N N 103 
CYS   CA  C    sing N N 104 
CYS   CA  CB   sing N N 105 
CYS   CA  HA   sing N N 106 
CYS   C   O    doub N N 107 
CYS   C   OXT  sing N N 108 
CYS   CB  SG   sing N N 109 
CYS   CB  HB2  sing N N 110 
CYS   CB  HB3  sing N N 111 
CYS   SG  HG   sing N N 112 
CYS   OXT HXT  sing N N 113 
EDO   C1  O1   sing N N 114 
EDO   C1  C2   sing N N 115 
EDO   C1  H11  sing N N 116 
EDO   C1  H12  sing N N 117 
EDO   O1  HO1  sing N N 118 
EDO   C2  O2   sing N N 119 
EDO   C2  H21  sing N N 120 
EDO   C2  H22  sing N N 121 
EDO   O2  HO2  sing N N 122 
GLN   N   CA   sing N N 123 
GLN   N   H    sing N N 124 
GLN   N   H2   sing N N 125 
GLN   CA  C    sing N N 126 
GLN   CA  CB   sing N N 127 
GLN   CA  HA   sing N N 128 
GLN   C   O    doub N N 129 
GLN   C   OXT  sing N N 130 
GLN   CB  CG   sing N N 131 
GLN   CB  HB2  sing N N 132 
GLN   CB  HB3  sing N N 133 
GLN   CG  CD   sing N N 134 
GLN   CG  HG2  sing N N 135 
GLN   CG  HG3  sing N N 136 
GLN   CD  OE1  doub N N 137 
GLN   CD  NE2  sing N N 138 
GLN   NE2 HE21 sing N N 139 
GLN   NE2 HE22 sing N N 140 
GLN   OXT HXT  sing N N 141 
GLU   N   CA   sing N N 142 
GLU   N   H    sing N N 143 
GLU   N   H2   sing N N 144 
GLU   CA  C    sing N N 145 
GLU   CA  CB   sing N N 146 
GLU   CA  HA   sing N N 147 
GLU   C   O    doub N N 148 
GLU   C   OXT  sing N N 149 
GLU   CB  CG   sing N N 150 
GLU   CB  HB2  sing N N 151 
GLU   CB  HB3  sing N N 152 
GLU   CG  CD   sing N N 153 
GLU   CG  HG2  sing N N 154 
GLU   CG  HG3  sing N N 155 
GLU   CD  OE1  doub N N 156 
GLU   CD  OE2  sing N N 157 
GLU   OE2 HE2  sing N N 158 
GLU   OXT HXT  sing N N 159 
GLY   N   CA   sing N N 160 
GLY   N   H    sing N N 161 
GLY   N   H2   sing N N 162 
GLY   CA  C    sing N N 163 
GLY   CA  HA2  sing N N 164 
GLY   CA  HA3  sing N N 165 
GLY   C   O    doub N N 166 
GLY   C   OXT  sing N N 167 
GLY   OXT HXT  sing N N 168 
HIS   N   CA   sing N N 169 
HIS   N   H    sing N N 170 
HIS   N   H2   sing N N 171 
HIS   CA  C    sing N N 172 
HIS   CA  CB   sing N N 173 
HIS   CA  HA   sing N N 174 
HIS   C   O    doub N N 175 
HIS   C   OXT  sing N N 176 
HIS   CB  CG   sing N N 177 
HIS   CB  HB2  sing N N 178 
HIS   CB  HB3  sing N N 179 
HIS   CG  ND1  sing Y N 180 
HIS   CG  CD2  doub Y N 181 
HIS   ND1 CE1  doub Y N 182 
HIS   ND1 HD1  sing N N 183 
HIS   CD2 NE2  sing Y N 184 
HIS   CD2 HD2  sing N N 185 
HIS   CE1 NE2  sing Y N 186 
HIS   CE1 HE1  sing N N 187 
HIS   NE2 HE2  sing N N 188 
HIS   OXT HXT  sing N N 189 
HOH   O   H1   sing N N 190 
HOH   O   H2   sing N N 191 
ILE   N   CA   sing N N 192 
ILE   N   H    sing N N 193 
ILE   N   H2   sing N N 194 
ILE   CA  C    sing N N 195 
ILE   CA  CB   sing N N 196 
ILE   CA  HA   sing N N 197 
ILE   C   O    doub N N 198 
ILE   C   OXT  sing N N 199 
ILE   CB  CG1  sing N N 200 
ILE   CB  CG2  sing N N 201 
ILE   CB  HB   sing N N 202 
ILE   CG1 CD1  sing N N 203 
ILE   CG1 HG12 sing N N 204 
ILE   CG1 HG13 sing N N 205 
ILE   CG2 HG21 sing N N 206 
ILE   CG2 HG22 sing N N 207 
ILE   CG2 HG23 sing N N 208 
ILE   CD1 HD11 sing N N 209 
ILE   CD1 HD12 sing N N 210 
ILE   CD1 HD13 sing N N 211 
ILE   OXT HXT  sing N N 212 
LEU   N   CA   sing N N 213 
LEU   N   H    sing N N 214 
LEU   N   H2   sing N N 215 
LEU   CA  C    sing N N 216 
LEU   CA  CB   sing N N 217 
LEU   CA  HA   sing N N 218 
LEU   C   O    doub N N 219 
LEU   C   OXT  sing N N 220 
LEU   CB  CG   sing N N 221 
LEU   CB  HB2  sing N N 222 
LEU   CB  HB3  sing N N 223 
LEU   CG  CD1  sing N N 224 
LEU   CG  CD2  sing N N 225 
LEU   CG  HG   sing N N 226 
LEU   CD1 HD11 sing N N 227 
LEU   CD1 HD12 sing N N 228 
LEU   CD1 HD13 sing N N 229 
LEU   CD2 HD21 sing N N 230 
LEU   CD2 HD22 sing N N 231 
LEU   CD2 HD23 sing N N 232 
LEU   OXT HXT  sing N N 233 
LYS   N   CA   sing N N 234 
LYS   N   H    sing N N 235 
LYS   N   H2   sing N N 236 
LYS   CA  C    sing N N 237 
LYS   CA  CB   sing N N 238 
LYS   CA  HA   sing N N 239 
LYS   C   O    doub N N 240 
LYS   C   OXT  sing N N 241 
LYS   CB  CG   sing N N 242 
LYS   CB  HB2  sing N N 243 
LYS   CB  HB3  sing N N 244 
LYS   CG  CD   sing N N 245 
LYS   CG  HG2  sing N N 246 
LYS   CG  HG3  sing N N 247 
LYS   CD  CE   sing N N 248 
LYS   CD  HD2  sing N N 249 
LYS   CD  HD3  sing N N 250 
LYS   CE  NZ   sing N N 251 
LYS   CE  HE2  sing N N 252 
LYS   CE  HE3  sing N N 253 
LYS   NZ  HZ1  sing N N 254 
LYS   NZ  HZ2  sing N N 255 
LYS   NZ  HZ3  sing N N 256 
LYS   OXT HXT  sing N N 257 
MET   N   CA   sing N N 258 
MET   N   H    sing N N 259 
MET   N   H2   sing N N 260 
MET   CA  C    sing N N 261 
MET   CA  CB   sing N N 262 
MET   CA  HA   sing N N 263 
MET   C   O    doub N N 264 
MET   C   OXT  sing N N 265 
MET   CB  CG   sing N N 266 
MET   CB  HB2  sing N N 267 
MET   CB  HB3  sing N N 268 
MET   CG  SD   sing N N 269 
MET   CG  HG2  sing N N 270 
MET   CG  HG3  sing N N 271 
MET   SD  CE   sing N N 272 
MET   CE  HE1  sing N N 273 
MET   CE  HE2  sing N N 274 
MET   CE  HE3  sing N N 275 
MET   OXT HXT  sing N N 276 
PHE   N   CA   sing N N 277 
PHE   N   H    sing N N 278 
PHE   N   H2   sing N N 279 
PHE   CA  C    sing N N 280 
PHE   CA  CB   sing N N 281 
PHE   CA  HA   sing N N 282 
PHE   C   O    doub N N 283 
PHE   C   OXT  sing N N 284 
PHE   CB  CG   sing N N 285 
PHE   CB  HB2  sing N N 286 
PHE   CB  HB3  sing N N 287 
PHE   CG  CD1  doub Y N 288 
PHE   CG  CD2  sing Y N 289 
PHE   CD1 CE1  sing Y N 290 
PHE   CD1 HD1  sing N N 291 
PHE   CD2 CE2  doub Y N 292 
PHE   CD2 HD2  sing N N 293 
PHE   CE1 CZ   doub Y N 294 
PHE   CE1 HE1  sing N N 295 
PHE   CE2 CZ   sing Y N 296 
PHE   CE2 HE2  sing N N 297 
PHE   CZ  HZ   sing N N 298 
PHE   OXT HXT  sing N N 299 
PRO   N   CA   sing N N 300 
PRO   N   CD   sing N N 301 
PRO   N   H    sing N N 302 
PRO   CA  C    sing N N 303 
PRO   CA  CB   sing N N 304 
PRO   CA  HA   sing N N 305 
PRO   C   O    doub N N 306 
PRO   C   OXT  sing N N 307 
PRO   CB  CG   sing N N 308 
PRO   CB  HB2  sing N N 309 
PRO   CB  HB3  sing N N 310 
PRO   CG  CD   sing N N 311 
PRO   CG  HG2  sing N N 312 
PRO   CG  HG3  sing N N 313 
PRO   CD  HD2  sing N N 314 
PRO   CD  HD3  sing N N 315 
PRO   OXT HXT  sing N N 316 
SER   N   CA   sing N N 317 
SER   N   H    sing N N 318 
SER   N   H2   sing N N 319 
SER   CA  C    sing N N 320 
SER   CA  CB   sing N N 321 
SER   CA  HA   sing N N 322 
SER   C   O    doub N N 323 
SER   C   OXT  sing N N 324 
SER   CB  OG   sing N N 325 
SER   CB  HB2  sing N N 326 
SER   CB  HB3  sing N N 327 
SER   OG  HG   sing N N 328 
SER   OXT HXT  sing N N 329 
SO4   S   O1   doub N N 330 
SO4   S   O2   doub N N 331 
SO4   S   O3   sing N N 332 
SO4   S   O4   sing N N 333 
THR   N   CA   sing N N 334 
THR   N   H    sing N N 335 
THR   N   H2   sing N N 336 
THR   CA  C    sing N N 337 
THR   CA  CB   sing N N 338 
THR   CA  HA   sing N N 339 
THR   C   O    doub N N 340 
THR   C   OXT  sing N N 341 
THR   CB  OG1  sing N N 342 
THR   CB  CG2  sing N N 343 
THR   CB  HB   sing N N 344 
THR   OG1 HG1  sing N N 345 
THR   CG2 HG21 sing N N 346 
THR   CG2 HG22 sing N N 347 
THR   CG2 HG23 sing N N 348 
THR   OXT HXT  sing N N 349 
TRP   N   CA   sing N N 350 
TRP   N   H    sing N N 351 
TRP   N   H2   sing N N 352 
TRP   CA  C    sing N N 353 
TRP   CA  CB   sing N N 354 
TRP   CA  HA   sing N N 355 
TRP   C   O    doub N N 356 
TRP   C   OXT  sing N N 357 
TRP   CB  CG   sing N N 358 
TRP   CB  HB2  sing N N 359 
TRP   CB  HB3  sing N N 360 
TRP   CG  CD1  doub Y N 361 
TRP   CG  CD2  sing Y N 362 
TRP   CD1 NE1  sing Y N 363 
TRP   CD1 HD1  sing N N 364 
TRP   CD2 CE2  doub Y N 365 
TRP   CD2 CE3  sing Y N 366 
TRP   NE1 CE2  sing Y N 367 
TRP   NE1 HE1  sing N N 368 
TRP   CE2 CZ2  sing Y N 369 
TRP   CE3 CZ3  doub Y N 370 
TRP   CE3 HE3  sing N N 371 
TRP   CZ2 CH2  doub Y N 372 
TRP   CZ2 HZ2  sing N N 373 
TRP   CZ3 CH2  sing Y N 374 
TRP   CZ3 HZ3  sing N N 375 
TRP   CH2 HH2  sing N N 376 
TRP   OXT HXT  sing N N 377 
TYR   N   CA   sing N N 378 
TYR   N   H    sing N N 379 
TYR   N   H2   sing N N 380 
TYR   CA  C    sing N N 381 
TYR   CA  CB   sing N N 382 
TYR   CA  HA   sing N N 383 
TYR   C   O    doub N N 384 
TYR   C   OXT  sing N N 385 
TYR   CB  CG   sing N N 386 
TYR   CB  HB2  sing N N 387 
TYR   CB  HB3  sing N N 388 
TYR   CG  CD1  doub Y N 389 
TYR   CG  CD2  sing Y N 390 
TYR   CD1 CE1  sing Y N 391 
TYR   CD1 HD1  sing N N 392 
TYR   CD2 CE2  doub Y N 393 
TYR   CD2 HD2  sing N N 394 
TYR   CE1 CZ   doub Y N 395 
TYR   CE1 HE1  sing N N 396 
TYR   CE2 CZ   sing Y N 397 
TYR   CE2 HE2  sing N N 398 
TYR   CZ  OH   sing N N 399 
TYR   OH  HH   sing N N 400 
TYR   OXT HXT  sing N N 401 
VAL   N   CA   sing N N 402 
VAL   N   H    sing N N 403 
VAL   N   H2   sing N N 404 
VAL   CA  C    sing N N 405 
VAL   CA  CB   sing N N 406 
VAL   CA  HA   sing N N 407 
VAL   C   O    doub N N 408 
VAL   C   OXT  sing N N 409 
VAL   CB  CG1  sing N N 410 
VAL   CB  CG2  sing N N 411 
VAL   CB  HB   sing N N 412 
VAL   CG1 HG11 sing N N 413 
VAL   CG1 HG12 sing N N 414 
VAL   CG1 HG13 sing N N 415 
VAL   CG2 HG21 sing N N 416 
VAL   CG2 HG22 sing N N 417 
VAL   CG2 HG23 sing N N 418 
VAL   OXT HXT  sing N N 419 
# 
_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                    7HMI 
_atom_sites.fract_transf_matrix[1][1]   0.010457 
_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]   0.010457 
_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]   0.021790 
_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   ? -13.052 -13.173 -9.945  1.00 83.87 ? 8   HIS   B N   1 
ATOM   2    C CA  . HIS   A 1 2   ? -12.631 -13.703 -11.284 1.00 78.29 ? 8   HIS   B CA  1 
ATOM   3    C C   . HIS   A 1 2   ? -11.580 -12.773 -11.907 1.00 77.42 ? 8   HIS   B C   1 
ATOM   4    O O   . HIS   A 1 2   ? -11.482 -11.601 -11.476 1.00 77.70 ? 8   HIS   B O   1 
ATOM   5    C CB  . HIS   A 1 2   ? -13.851 -13.910 -12.204 1.00 73.17 ? 8   HIS   B CB  1 
ATOM   6    C CG  . HIS   A 1 2   ? -14.479 -12.651 -12.714 1.00 68.92 ? 8   HIS   B CG  1 
ATOM   7    N ND1 . HIS   A 1 2   ? -14.063 -12.036 -13.883 1.00 68.30 ? 8   HIS   B ND1 1 
ATOM   8    C CD2 . HIS   A 1 2   ? -15.501 -11.902 -12.238 1.00 65.25 ? 8   HIS   B CD2 1 
ATOM   9    C CE1 . HIS   A 1 2   ? -14.790 -10.956 -14.093 1.00 67.56 ? 8   HIS   B CE1 1 
ATOM   10   N NE2 . HIS   A 1 2   ? -15.681 -10.850 -13.100 1.00 65.26 ? 8   HIS   B NE2 1 
ATOM   11   N N   . HIS   A 1 3   ? -10.839 -13.287 -12.892 1.00 73.13 ? 9   HIS   B N   1 
ATOM   12   C CA  . HIS   A 1 3   ? -9.801  -12.560 -13.674 1.00 71.27 ? 9   HIS   B CA  1 
ATOM   13   C C   . HIS   A 1 3   ? -10.091 -12.741 -15.174 1.00 62.87 ? 9   HIS   B C   1 
ATOM   14   O O   . HIS   A 1 3   ? -9.158  -13.097 -15.918 1.00 58.75 ? 9   HIS   B O   1 
ATOM   15   C CB  . HIS   A 1 3   ? -8.403  -13.027 -13.222 1.00 77.66 ? 9   HIS   B CB  1 
ATOM   16   C CG  . HIS   A 1 3   ? -8.211  -12.960 -11.738 1.00 85.67 ? 9   HIS   B CG  1 
ATOM   17   N ND1 . HIS   A 1 3   ? -7.734  -11.826 -11.096 1.00 84.84 ? 9   HIS   B ND1 1 
ATOM   18   C CD2 . HIS   A 1 3   ? -8.460  -13.863 -10.762 1.00 87.04 ? 9   HIS   B CD2 1 
ATOM   19   C CE1 . HIS   A 1 3   ? -7.683  -12.042 -9.797  1.00 84.21 ? 9   HIS   B CE1 1 
ATOM   20   N NE2 . HIS   A 1 3   ? -8.120  -13.285 -9.566  1.00 86.96 ? 9   HIS   B NE2 1 
ATOM   21   N N   . HIS   A 1 4   ? -11.350 -12.511 -15.586 1.00 51.09 ? 10  HIS   B N   1 
ATOM   22   C CA  . HIS   A 1 4   ? -11.860 -12.679 -16.978 1.00 43.07 ? 10  HIS   B CA  1 
ATOM   23   C C   . HIS   A 1 4   ? -11.869 -11.331 -17.707 1.00 42.08 ? 10  HIS   B C   1 
ATOM   24   O O   . HIS   A 1 4   ? -11.959 -11.331 -18.962 1.00 37.20 ? 10  HIS   B O   1 
ATOM   25   C CB  . HIS   A 1 4   ? -13.271 -13.296 -16.977 1.00 39.74 ? 10  HIS   B CB  1 
ATOM   26   C CG  . HIS   A 1 4   ? -13.352 -14.665 -16.389 1.00 39.83 ? 10  HIS   B CG  1 
ATOM   27   N ND1 . HIS   A 1 4   ? -12.425 -15.670 -16.680 1.00 37.53 ? 10  HIS   B ND1 1 
ATOM   28   C CD2 . HIS   A 1 4   ? -14.260 -15.217 -15.558 1.00 37.58 ? 10  HIS   B CD2 1 
ATOM   29   C CE1 . HIS   A 1 4   ? -12.767 -16.772 -16.040 1.00 43.68 ? 10  HIS   B CE1 1 
ATOM   30   N NE2 . HIS   A 1 4   ? -13.892 -16.522 -15.348 1.00 42.05 ? 10  HIS   B NE2 1 
ATOM   31   N N   . HIS   A 1 5   ? -11.767 -10.225 -16.956 1.00 41.55 ? 11  HIS   B N   1 
ATOM   32   C CA  . HIS   A 1 5   ? -11.847 -8.829  -17.467 1.00 46.47 ? 11  HIS   B CA  1 
ATOM   33   C C   . HIS   A 1 5   ? -10.923 -8.623  -18.681 1.00 44.02 ? 11  HIS   B C   1 
ATOM   34   O O   . HIS   A 1 5   ? -11.343 -7.884  -19.602 1.00 42.87 ? 11  HIS   B O   1 
ATOM   35   C CB  . HIS   A 1 5   ? -11.549 -7.814  -16.349 1.00 55.10 ? 11  HIS   B CB  1 
ATOM   36   C CG  . HIS   A 1 5   ? -12.431 -7.942  -15.152 1.00 68.42 ? 11  HIS   B CG  1 
ATOM   37   N ND1 . HIS   A 1 5   ? -12.046 -8.653  -14.021 1.00 83.85 ? 11  HIS   B ND1 1 
ATOM   38   C CD2 . HIS   A 1 5   ? -13.664 -7.451  -14.891 1.00 75.16 ? 11  HIS   B CD2 1 
ATOM   39   C CE1 . HIS   A 1 5   ? -13.007 -8.593  -13.117 1.00 83.83 ? 11  HIS   B CE1 1 
ATOM   40   N NE2 . HIS   A 1 5   ? -14.013 -7.861  -13.628 1.00 80.84 ? 11  HIS   B NE2 1 
ATOM   41   N N   . HIS   A 1 6   ? -9.737  -9.260  -18.710 1.00 39.82 ? 12  HIS   B N   1 
ATOM   42   C CA  . HIS   A 1 6   ? -8.711  -9.136  -19.788 1.00 38.24 ? 12  HIS   B CA  1 
ATOM   43   C C   . HIS   A 1 6   ? -9.119  -9.834  -21.102 1.00 35.98 ? 12  HIS   B C   1 
ATOM   44   O O   . HIS   A 1 6   ? -8.413  -9.628  -22.112 1.00 37.17 ? 12  HIS   B O   1 
ATOM   45   C CB  . HIS   A 1 6   ? -7.346  -9.642  -19.301 1.00 44.13 ? 12  HIS   B CB  1 
ATOM   46   C CG  . HIS   A 1 6   ? -7.251  -11.112 -19.059 1.00 45.39 ? 12  HIS   B CG  1 
ATOM   47   N ND1 . HIS   A 1 6   ? -6.572  -11.962 -19.917 1.00 51.38 ? 12  HIS   B ND1 1 
ATOM   48   C CD2 . HIS   A 1 6   ? -7.694  -11.880 -18.041 1.00 50.75 ? 12  HIS   B CD2 1 
ATOM   49   C CE1 . HIS   A 1 6   ? -6.620  -13.192 -19.451 1.00 46.47 ? 12  HIS   B CE1 1 
ATOM   50   N NE2 . HIS   A 1 6   ? -7.300  -13.171 -18.301 1.00 55.34 ? 12  HIS   B NE2 1 
ATOM   51   N N   . HIS   A 1 7   ? -10.201 -10.626 -21.128 1.00 29.60 ? 13  HIS   B N   1 
ATOM   52   C CA  . HIS   A 1 7   ? -10.804 -11.168 -22.386 1.00 25.80 ? 13  HIS   B CA  1 
ATOM   53   C C   . HIS   A 1 7   ? -11.926 -10.251 -22.871 1.00 23.85 ? 13  HIS   B C   1 
ATOM   54   O O   . HIS   A 1 7   ? -12.798 -10.724 -23.642 1.00 19.76 ? 13  HIS   B O   1 
ATOM   55   C CB  . HIS   A 1 7   ? -11.331 -12.587 -22.166 1.00 25.72 ? 13  HIS   B CB  1 
ATOM   56   C CG  . HIS   A 1 7   ? -10.254 -13.536 -21.755 1.00 25.53 ? 13  HIS   B CG  1 
ATOM   57   N ND1 . HIS   A 1 7   ? -9.206  -13.853 -22.611 1.00 25.22 ? 13  HIS   B ND1 1 
ATOM   58   C CD2 . HIS   A 1 7   ? -10.069 -14.231 -20.615 1.00 26.71 ? 13  HIS   B CD2 1 
ATOM   59   C CE1 . HIS   A 1 7   ? -8.402  -14.710 -21.994 1.00 24.66 ? 13  HIS   B CE1 1 
ATOM   60   N NE2 . HIS   A 1 7   ? -8.889  -14.942 -20.761 1.00 29.12 ? 13  HIS   B NE2 1 
ATOM   61   N N   . MET   A 1 8   ? -11.965 -9.018  -22.368 1.00 25.01 ? 14  MET   B N   1 
ATOM   62   C CA  . MET   A 1 8   ? -13.015 -8.027  -22.698 1.00 27.12 ? 14  MET   B CA  1 
ATOM   63   C C   . MET   A 1 8   ? -13.108 -7.871  -24.224 1.00 26.43 ? 14  MET   B C   1 
ATOM   64   O O   . MET   A 1 8   ? -12.062 -7.777  -24.899 1.00 27.78 ? 14  MET   B O   1 
ATOM   65   C CB  . MET   A 1 8   ? -12.695 -6.675  -22.056 1.00 33.66 ? 14  MET   B CB  1 
ATOM   66   C CG  . MET   A 1 8   ? -13.719 -5.571  -22.324 1.00 38.91 ? 14  MET   B CG  1 
ATOM   67   S SD  . MET   A 1 8   ? -15.341 -5.832  -21.530 1.00 49.49 ? 14  MET   B SD  1 
ATOM   68   C CE  . MET   A 1 8   ? -15.067 -5.160  -19.894 1.00 35.39 ? 14  MET   B CE  1 
ATOM   69   N N   . VAL   A 1 9   ? -14.335 -7.853  -24.747 1.00 20.62 ? 15  VAL   B N   1 
ATOM   70   C CA  . VAL   A 1 9   ? -14.642 -7.636  -26.186 1.00 20.63 ? 15  VAL   B CA  1 
ATOM   71   C C   . VAL   A 1 9   ? -15.634 -6.456  -26.281 1.00 22.23 ? 15  VAL   B C   1 
ATOM   72   O O   . VAL   A 1 9   ? -16.471 -6.276  -25.364 1.00 21.37 ? 15  VAL   B O   1 
ATOM   73   C CB  . VAL   A 1 9   ? -15.162 -8.914  -26.873 1.00 23.11 ? 15  VAL   B CB  1 
ATOM   74   C CG1 . VAL   A 1 9   ? -14.054 -9.952  -26.980 1.00 25.06 ? 15  VAL   B CG1 1 
ATOM   75   C CG2 . VAL   A 1 9   ? -16.382 -9.519  -26.200 1.00 23.86 ? 15  VAL   B CG2 1 
ATOM   76   N N   . HIS   A 1 10  ? -15.578 -5.712  -27.380 1.00 22.79 ? 16  HIS   B N   1 
ATOM   77   C CA  . HIS   A 1 10  ? -16.449 -4.540  -27.631 1.00 22.47 ? 16  HIS   B CA  1 
ATOM   78   C C   . HIS   A 1 10  ? -17.683 -5.053  -28.383 1.00 21.62 ? 16  HIS   B C   1 
ATOM   79   O O   . HIS   A 1 10  ? -17.574 -5.442  -29.566 1.00 24.14 ? 16  HIS   B O   1 
ATOM   80   C CB  . HIS   A 1 10  ? -15.706 -3.461  -28.417 1.00 24.12 ? 16  HIS   B CB  1 
ATOM   81   C CG  . HIS   A 1 10  ? -16.487 -2.206  -28.654 1.00 30.80 ? 16  HIS   B CG  1 
ATOM   82   N ND1 . HIS   A 1 10  ? -16.617 -1.215  -27.689 1.00 33.51 ? 16  HIS   B ND1 1 
ATOM   83   C CD2 . HIS   A 1 10  ? -17.169 -1.768  -29.743 1.00 32.28 ? 16  HIS   B CD2 1 
ATOM   84   C CE1 . HIS   A 1 10  ? -17.340 -0.216  -28.178 1.00 31.97 ? 16  HIS   B CE1 1 
ATOM   85   N NE2 . HIS   A 1 10  ? -17.719 -0.545  -29.434 1.00 34.93 ? 16  HIS   B NE2 1 
ATOM   86   N N   . ILE   A 1 11  ? -18.812 -5.163  -27.691 1.00 16.23 ? 17  ILE   B N   1 
ATOM   87   C CA  . ILE   A 1 11  ? -20.061 -5.704  -28.281 1.00 17.01 ? 17  ILE   B CA  1 
ATOM   88   C C   . ILE   A 1 11  ? -20.879 -4.511  -28.800 1.00 17.48 ? 17  ILE   B C   1 
ATOM   89   O O   . ILE   A 1 11  ? -20.902 -3.483  -28.156 1.00 17.08 ? 17  ILE   B O   1 
ATOM   90   C CB  . ILE   A 1 11  ? -20.851 -6.514  -27.233 1.00 17.00 ? 17  ILE   B CB  1 
ATOM   91   C CG1 . ILE   A 1 11  ? -20.027 -7.701  -26.727 1.00 17.81 ? 17  ILE   B CG1 1 
ATOM   92   C CG2 . ILE   A 1 11  ? -22.195 -6.935  -27.817 1.00 16.95 ? 17  ILE   B CG2 1 
ATOM   93   C CD1 . ILE   A 1 11  ? -19.457 -8.603  -27.805 1.00 18.48 ? 17  ILE   B CD1 1 
ATOM   94   N N   . THR   A 1 12  ? -21.470 -4.666  -29.963 1.00 16.39 ? 18  THR   B N   1 
ATOM   95   C CA  . THR   A 1 12  ? -22.464 -3.699  -30.503 1.00 17.62 ? 18  THR   B CA  1 
ATOM   96   C C   . THR   A 1 12  ? -23.719 -4.480  -30.868 1.00 17.46 ? 18  THR   B C   1 
ATOM   97   O O   . THR   A 1 12  ? -23.644 -5.682  -31.187 1.00 18.26 ? 18  THR   B O   1 
ATOM   98   C CB  . THR   A 1 12  ? -21.888 -2.933  -31.706 1.00 18.88 ? 18  THR   B CB  1 
ATOM   99   O OG1 . THR   A 1 12  ? -21.504 -3.867  -32.690 1.00 20.47 ? 18  THR   B OG1 1 
ATOM   100  C CG2 . THR   A 1 12  ? -20.703 -2.046  -31.368 1.00 23.67 ? 18  THR   B CG2 1 
ATOM   101  N N   . LEU   A 1 13  ? -24.868 -3.803  -30.876 1.00 15.66 ? 19  LEU   B N   1 
ATOM   102  C CA  . LEU   A 1 13  ? -26.162 -4.445  -31.189 1.00 17.09 ? 19  LEU   B CA  1 
ATOM   103  C C   . LEU   A 1 13  ? -26.423 -4.418  -32.694 1.00 16.75 ? 19  LEU   B C   1 
ATOM   104  O O   . LEU   A 1 13  ? -26.091 -3.396  -33.352 1.00 18.37 ? 19  LEU   B O   1 
ATOM   105  C CB  . LEU   A 1 13  ? -27.231 -3.698  -30.388 1.00 16.77 ? 19  LEU   B CB  1 
ATOM   106  C CG  . LEU   A 1 13  ? -27.015 -3.745  -28.872 1.00 17.92 ? 19  LEU   B CG  1 
ATOM   107  C CD1 . LEU   A 1 13  ? -27.922 -2.796  -28.116 1.00 18.90 ? 19  LEU   B CD1 1 
ATOM   108  C CD2 . LEU   A 1 13  ? -27.135 -5.183  -28.324 1.00 18.15 ? 19  LEU   B CD2 1 
ATOM   109  N N   . ASP   A 1 14  ? -27.060 -5.449  -33.194 1.00 16.85 ? 20  ASP   B N   1 
ATOM   110  C CA  . ASP   A 1 14  ? -27.432 -5.615  -34.621 1.00 16.75 ? 20  ASP   B CA  1 
ATOM   111  C C   . ASP   A 1 14  ? -28.926 -5.219  -34.774 1.00 17.27 ? 20  ASP   B C   1 
ATOM   112  O O   . ASP   A 1 14  ? -29.795 -6.051  -34.511 1.00 15.61 ? 20  ASP   B O   1 
ATOM   113  C CB  . ASP   A 1 14  ? -27.134 -7.033  -35.104 1.00 17.52 ? 20  ASP   B CB  1 
ATOM   114  C CG  . ASP   A 1 14  ? -27.436 -7.294  -36.577 1.00 20.84 ? 20  ASP   B CG  1 
ATOM   115  O OD1 . ASP   A 1 14  ? -28.079 -6.409  -37.185 1.00 19.57 ? 20  ASP   B OD1 1 
ATOM   116  O OD2 . ASP   A 1 14  ? -27.080 -8.401  -37.091 1.00 20.45 ? 20  ASP   B OD2 1 
ATOM   117  N N   A ARG   A 1 15  ? -29.167 -3.962  -35.184 0.25 17.80 ? 21  ARG   B N   1 
ATOM   118  N N   B ARG   A 1 15  ? -29.190 -3.985  -35.215 0.25 18.76 ? 21  ARG   B N   1 
ATOM   119  C CA  A ARG   A 1 15  ? -30.492 -3.369  -35.544 0.25 19.24 ? 21  ARG   B CA  1 
ATOM   120  C CA  B ARG   A 1 15  ? -30.559 -3.425  -35.398 0.25 20.59 ? 21  ARG   B CA  1 
ATOM   121  C C   A ARG   A 1 15  ? -31.384 -4.373  -36.272 0.25 18.56 ? 21  ARG   B C   1 
ATOM   122  C C   B ARG   A 1 15  ? -31.412 -4.312  -36.323 0.25 19.43 ? 21  ARG   B C   1 
ATOM   123  O O   A ARG   A 1 15  ? -32.590 -4.421  -35.986 0.25 18.23 ? 21  ARG   B O   1 
ATOM   124  O O   B ARG   A 1 15  ? -32.643 -4.243  -36.197 0.25 18.60 ? 21  ARG   B O   1 
ATOM   125  C CB  A ARG   A 1 15  ? -30.335 -2.207  -36.538 0.25 19.46 ? 21  ARG   B CB  1 
ATOM   126  C CB  B ARG   A 1 15  ? -30.478 -1.998  -35.964 0.25 22.88 ? 21  ARG   B CB  1 
ATOM   127  C CG  A ARG   A 1 15  ? -29.313 -1.160  -36.136 0.25 20.98 ? 21  ARG   B CG  1 
ATOM   128  C CG  B ARG   A 1 15  ? -29.668 -1.022  -35.122 0.25 25.15 ? 21  ARG   B CG  1 
ATOM   129  C CD  A ARG   A 1 15  ? -29.474 0.184   -36.831 0.25 21.16 ? 21  ARG   B CD  1 
ATOM   130  C CD  B ARG   A 1 15  ? -28.238 -0.848  -35.623 0.25 29.44 ? 21  ARG   B CD  1 
ATOM   131  N NE  A ARG   A 1 15  ? -28.892 1.217   -35.986 0.25 20.15 ? 21  ARG   B NE  1 
ATOM   132  N NE  B ARG   A 1 15  ? -28.043 0.296   -36.520 0.25 31.13 ? 21  ARG   B NE  1 
ATOM   133  C CZ  A ARG   A 1 15  ? -29.544 1.781   -34.991 0.25 19.13 ? 21  ARG   B CZ  1 
ATOM   134  C CZ  B ARG   A 1 15  ? -27.653 0.229   -37.794 0.25 33.16 ? 21  ARG   B CZ  1 
ATOM   135  N NH1 A ARG   A 1 15  ? -30.793 1.429   -34.769 0.25 19.77 ? 21  ARG   B NH1 1 
ATOM   136  N NH1 B ARG   A 1 15  ? -27.400 -0.931  -38.372 0.25 34.23 ? 21  ARG   B NH1 1 
ATOM   137  N NH2 A ARG   A 1 15  ? -28.961 2.681   -34.225 0.25 19.86 ? 21  ARG   B NH2 1 
ATOM   138  N NH2 B ARG   A 1 15  ? -27.501 1.340   -38.490 0.25 35.63 ? 21  ARG   B NH2 1 
ATOM   139  N N   . ASN   A 1 16  ? -30.811 -5.082  -37.243 1.00 19.43 ? 22  ASN   B N   1 
ATOM   140  C CA  . ASN   A 1 16  ? -31.583 -5.916  -38.192 1.00 19.46 ? 22  ASN   B CA  1 
ATOM   141  C C   . ASN   A 1 16  ? -32.219 -7.117  -37.478 1.00 17.45 ? 22  ASN   B C   1 
ATOM   142  O O   . ASN   A 1 16  ? -33.202 -7.641  -37.985 1.00 17.28 ? 22  ASN   B O   1 
ATOM   143  C CB  . ASN   A 1 16  ? -30.709 -6.300  -39.395 1.00 24.00 ? 22  ASN   B CB  1 
ATOM   144  C CG  . ASN   A 1 16  ? -30.495 -5.134  -40.337 1.00 29.65 ? 22  ASN   B CG  1 
ATOM   145  O OD1 . ASN   A 1 16  ? -31.243 -4.157  -40.323 1.00 38.04 ? 22  ASN   B OD1 1 
ATOM   146  N ND2 . ASN   A 1 16  ? -29.479 -5.235  -41.175 1.00 40.02 ? 22  ASN   B ND2 1 
ATOM   147  N N   . THR   A 1 17  ? -31.681 -7.532  -36.318 1.00 15.16 ? 23  THR   B N   1 
ATOM   148  C CA  . THR   A 1 17  ? -32.230 -8.658  -35.544 1.00 14.30 ? 23  THR   B CA  1 
ATOM   149  C C   . THR   A 1 17  ? -33.265 -8.168  -34.533 1.00 13.79 ? 23  THR   B C   1 
ATOM   150  O O   . THR   A 1 17  ? -33.917 -9.014  -33.936 1.00 13.70 ? 23  THR   B O   1 
ATOM   151  C CB  . THR   A 1 17  ? -31.141 -9.448  -34.802 1.00 14.52 ? 23  THR   B CB  1 
ATOM   152  O OG1 . THR   A 1 17  ? -30.584 -8.640  -33.758 1.00 14.10 ? 23  THR   B OG1 1 
ATOM   153  C CG2 . THR   A 1 17  ? -30.067 -9.938  -35.755 1.00 14.69 ? 23  THR   B CG2 1 
ATOM   154  N N   . ALA   A 1 18  ? -33.385 -6.861  -34.307 1.00 13.79 ? 24  ALA   B N   1 
ATOM   155  C CA  . ALA   A 1 18  ? -34.215 -6.338  -33.195 1.00 13.10 ? 24  ALA   B CA  1 
ATOM   156  C C   . ALA   A 1 18  ? -35.702 -6.527  -33.500 1.00 14.95 ? 24  ALA   B C   1 
ATOM   157  O O   . ALA   A 1 18  ? -36.166 -6.252  -34.615 1.00 14.93 ? 24  ALA   B O   1 
ATOM   158  C CB  . ALA   A 1 18  ? -33.943 -4.878  -32.990 1.00 13.96 ? 24  ALA   B CB  1 
ATOM   159  N N   . ASN   A 1 19  ? -36.461 -6.916  -32.492 1.00 13.94 ? 25  ASN   B N   1 
ATOM   160  C CA  . ASN   A 1 19  ? -37.918 -6.674  -32.466 1.00 14.13 ? 25  ASN   B CA  1 
ATOM   161  C C   . ASN   A 1 19  ? -38.201 -5.226  -32.910 1.00 13.56 ? 25  ASN   B C   1 
ATOM   162  O O   . ASN   A 1 19  ? -37.507 -4.254  -32.534 1.00 13.82 ? 25  ASN   B O   1 
ATOM   163  C CB  . ASN   A 1 19  ? -38.438 -7.002  -31.063 1.00 14.38 ? 25  ASN   B CB  1 
ATOM   164  C CG  . ASN   A 1 19  ? -39.915 -6.758  -30.977 1.00 16.57 ? 25  ASN   B CG  1 
ATOM   165  O OD1 . ASN   A 1 19  ? -40.333 -5.635  -30.745 1.00 15.88 ? 25  ASN   B OD1 1 
ATOM   166  N ND2 . ASN   A 1 19  ? -40.686 -7.772  -31.306 1.00 19.35 ? 25  ASN   B ND2 1 
ATOM   167  N N   . SER   A 1 20  ? -39.284 -5.044  -33.639 1.00 14.46 ? 26  SER   B N   1 
ATOM   168  C CA  . SER   A 1 20  ? -39.607 -3.784  -34.338 1.00 15.28 ? 26  SER   B CA  1 
ATOM   169  C C   . SER   A 1 20  ? -40.028 -2.684  -33.372 1.00 15.73 ? 26  SER   B C   1 
ATOM   170  O O   . SER   A 1 20  ? -40.092 -1.548  -33.808 1.00 16.34 ? 26  SER   B O   1 
ATOM   171  C CB  . SER   A 1 20  ? -40.681 -4.035  -35.368 1.00 18.56 ? 26  SER   B CB  1 
ATOM   172  O OG  . SER   A 1 20  ? -41.842 -4.468  -34.681 1.00 20.64 ? 26  SER   B OG  1 
ATOM   173  N N   . TRP   A 1 21  ? -40.233 -2.967  -32.091 1.00 14.17 ? 27  TRP   B N   1 
ATOM   174  C CA  . TRP   A 1 21  ? -40.516 -1.941  -31.063 1.00 14.56 ? 27  TRP   B CA  1 
ATOM   175  C C   . TRP   A 1 21  ? -39.259 -1.457  -30.370 1.00 14.15 ? 27  TRP   B C   1 
ATOM   176  O O   . TRP   A 1 21  ? -39.373 -0.510  -29.606 1.00 14.06 ? 27  TRP   B O   1 
ATOM   177  C CB  . TRP   A 1 21  ? -41.481 -2.491  -30.036 1.00 16.13 ? 27  TRP   B CB  1 
ATOM   178  C CG  . TRP   A 1 21  ? -42.866 -2.644  -30.566 1.00 17.91 ? 27  TRP   B CG  1 
ATOM   179  C CD1 . TRP   A 1 21  ? -43.259 -3.292  -31.700 1.00 22.05 ? 27  TRP   B CD1 1 
ATOM   180  C CD2 . TRP   A 1 21  ? -44.053 -2.120  -29.963 1.00 17.48 ? 27  TRP   B CD2 1 
ATOM   181  N NE1 . TRP   A 1 21  ? -44.628 -3.233  -31.827 1.00 26.13 ? 27  TRP   B NE1 1 
ATOM   182  C CE2 . TRP   A 1 21  ? -45.136 -2.530  -30.768 1.00 19.50 ? 27  TRP   B CE2 1 
ATOM   183  C CE3 . TRP   A 1 21  ? -44.288 -1.321  -28.846 1.00 18.65 ? 27  TRP   B CE3 1 
ATOM   184  C CZ2 . TRP   A 1 21  ? -46.452 -2.179  -30.468 1.00 22.16 ? 27  TRP   B CZ2 1 
ATOM   185  C CZ3 . TRP   A 1 21  ? -45.596 -0.981  -28.544 1.00 19.11 ? 27  TRP   B CZ3 1 
ATOM   186  C CH2 . TRP   A 1 21  ? -46.648 -1.448  -29.321 1.00 21.00 ? 27  TRP   B CH2 1 
ATOM   187  N N   . LEU   A 1 22  ? -38.076 -2.034  -30.660 1.00 14.52 ? 28  LEU   B N   1 
ATOM   188  C CA  . LEU   A 1 22  ? -36.850 -1.619  -29.925 1.00 14.43 ? 28  LEU   B CA  1 
ATOM   189  C C   . LEU   A 1 22  ? -36.230 -0.381  -30.565 1.00 14.88 ? 28  LEU   B C   1 
ATOM   190  O O   . LEU   A 1 22  ? -36.275 -0.228  -31.781 1.00 15.03 ? 28  LEU   B O   1 
ATOM   191  C CB  . LEU   A 1 22  ? -35.818 -2.752  -29.909 1.00 12.47 ? 28  LEU   B CB  1 
ATOM   192  C CG  . LEU   A 1 22  ? -36.275 -4.011  -29.184 1.00 13.83 ? 28  LEU   B CG  1 
ATOM   193  C CD1 . LEU   A 1 22  ? -35.180 -5.058  -29.109 1.00 14.17 ? 28  LEU   B CD1 1 
ATOM   194  C CD2 . LEU   A 1 22  ? -36.712 -3.686  -27.777 1.00 14.49 ? 28  LEU   B CD2 1 
ATOM   195  N N   . ILE   A 1 23  ? -35.601 0.419   -29.735 1.00 13.32 ? 29  ILE   B N   1 
ATOM   196  C CA  . ILE   A 1 23  ? -34.817 1.604   -30.148 1.00 13.85 ? 29  ILE   B CA  1 
ATOM   197  C C   . ILE   A 1 23  ? -33.388 1.354   -29.690 1.00 14.05 ? 29  ILE   B C   1 
ATOM   198  O O   . ILE   A 1 23  ? -33.142 1.321   -28.468 1.00 14.69 ? 29  ILE   B O   1 
ATOM   199  C CB  . ILE   A 1 23  ? -35.384 2.887   -29.554 1.00 14.34 ? 29  ILE   B CB  1 
ATOM   200  C CG1 . ILE   A 1 23  ? -36.864 3.097   -29.947 1.00 16.38 ? 29  ILE   B CG1 1 
ATOM   201  C CG2 . ILE   A 1 23  ? -34.495 4.079   -29.955 1.00 15.97 ? 29  ILE   B CG2 1 
ATOM   202  C CD1 . ILE   A 1 23  ? -37.531 4.186   -29.204 1.00 17.03 ? 29  ILE   B CD1 1 
ATOM   203  N N   . ILE   A 1 24  ? -32.510 1.223   -30.677 1.00 16.43 ? 30  ILE   B N   1 
ATOM   204  C CA  . ILE   A 1 24  ? -31.054 1.029   -30.481 1.00 17.76 ? 30  ILE   B CA  1 
ATOM   205  C C   . ILE   A 1 24  ? -30.403 2.386   -30.687 1.00 19.00 ? 30  ILE   B C   1 
ATOM   206  O O   . ILE   A 1 24  ? -30.676 3.074   -31.733 1.00 19.52 ? 30  ILE   B O   1 
ATOM   207  C CB  . ILE   A 1 24  ? -30.505 -0.053  -31.410 1.00 18.40 ? 30  ILE   B CB  1 
ATOM   208  C CG1 . ILE   A 1 24  ? -31.025 -1.415  -30.979 1.00 20.42 ? 30  ILE   B CG1 1 
ATOM   209  C CG2 . ILE   A 1 24  ? -28.975 -0.045  -31.413 1.00 17.45 ? 30  ILE   B CG2 1 
ATOM   210  C CD1 . ILE   A 1 24  ? -31.024 -2.403  -32.011 1.00 25.37 ? 30  ILE   B CD1 1 
ATOM   211  N N   . SER   A 1 25  ? -29.549 2.768   -29.750 1.00 17.59 ? 31  SER   B N   1 
ATOM   212  C CA  . SER   A 1 25  ? -28.856 4.070   -29.786 1.00 17.72 ? 31  SER   B CA  1 
ATOM   213  C C   . SER   A 1 25  ? -27.924 4.137   -31.014 1.00 16.97 ? 31  SER   B C   1 
ATOM   214  O O   . SER   A 1 25  ? -27.557 3.109   -31.564 1.00 18.20 ? 31  SER   B O   1 
ATOM   215  C CB  . SER   A 1 25  ? -28.118 4.245   -28.484 1.00 18.55 ? 31  SER   B CB  1 
ATOM   216  O OG  . SER   A 1 25  ? -27.122 3.241   -28.385 1.00 17.33 ? 31  SER   B OG  1 
ATOM   217  N N   . LYS   A 1 26  ? -27.527 5.360   -31.391 1.00 20.54 ? 32  LYS   B N   1 
ATOM   218  C CA  . LYS   A 1 26  ? -26.651 5.637   -32.551 1.00 21.55 ? 32  LYS   B CA  1 
ATOM   219  C C   . LYS   A 1 26  ? -25.344 4.850   -32.407 1.00 18.83 ? 32  LYS   B C   1 
ATOM   220  O O   . LYS   A 1 26  ? -24.897 4.316   -33.424 1.00 22.91 ? 32  LYS   B O   1 
ATOM   221  C CB  . LYS   A 1 26  ? -26.420 7.146   -32.632 1.00 26.38 ? 32  LYS   B CB  1 
ATOM   222  C CG  . LYS   A 1 26  ? -25.459 7.576   -33.717 1.00 32.67 ? 32  LYS   B CG  1 
ATOM   223  C CD  . LYS   A 1 26  ? -25.476 9.074   -33.916 1.00 33.64 ? 32  LYS   B CD  1 
ATOM   224  C CE  . LYS   A 1 26  ? -25.245 9.868   -32.652 1.00 38.16 ? 32  LYS   B CE  1 
ATOM   225  N NZ  . LYS   A 1 26  ? -25.492 11.303  -32.900 1.00 42.87 ? 32  LYS   B NZ  1 
ATOM   226  N N   . ASP   A 1 27  ? -24.798 4.748   -31.189 1.00 20.62 ? 33  ASP   B N   1 
ATOM   227  C CA  . ASP   A 1 27  ? -23.503 4.042   -30.955 1.00 19.18 ? 33  ASP   B CA  1 
ATOM   228  C C   . ASP   A 1 27  ? -23.704 2.518   -30.924 1.00 19.46 ? 33  ASP   B C   1 
ATOM   229  O O   . ASP   A 1 27  ? -22.687 1.789   -30.793 1.00 18.70 ? 33  ASP   B O   1 
ATOM   230  C CB  . ASP   A 1 27  ? -22.771 4.590   -29.730 1.00 20.20 ? 33  ASP   B CB  1 
ATOM   231  C CG  . ASP   A 1 27  ? -23.453 4.330   -28.398 1.00 20.95 ? 33  ASP   B CG  1 
ATOM   232  O OD1 . ASP   A 1 27  ? -24.524 3.646   -28.380 1.00 21.64 ? 33  ASP   B OD1 1 
ATOM   233  O OD2 . ASP   A 1 27  ? -22.915 4.804   -27.391 1.00 23.93 ? 33  ASP   B OD2 1 
ATOM   234  N N   . ARG   A 1 28  ? -24.939 2.036   -31.014 1.00 16.50 ? 34  ARG   B N   1 
ATOM   235  C CA  . ARG   A 1 28  ? -25.256 0.585   -31.020 1.00 16.78 ? 34  ARG   B CA  1 
ATOM   236  C C   . ARG   A 1 28  ? -24.807 -0.044  -29.692 1.00 14.85 ? 34  ARG   B C   1 
ATOM   237  O O   . ARG   A 1 28  ? -24.659 -1.268  -29.652 1.00 15.41 ? 34  ARG   B O   1 
ATOM   238  C CB  . ARG   A 1 28  ? -24.665 -0.098  -32.268 1.00 20.06 ? 34  ARG   B CB  1 
ATOM   239  C CG  . ARG   A 1 28  ? -25.219 0.479   -33.566 1.00 23.27 ? 34  ARG   B CG  1 
ATOM   240  C CD  . ARG   A 1 28  ? -24.709 -0.154  -34.850 1.00 32.21 ? 34  ARG   B CD  1 
ATOM   241  N NE  . ARG   A 1 28  ? -23.289 -0.474  -34.896 1.00 42.92 ? 34  ARG   B NE  1 
ATOM   242  C CZ  . ARG   A 1 28  ? -22.750 -1.708  -34.796 1.00 54.63 ? 34  ARG   B CZ  1 
ATOM   243  N NH1 . ARG   A 1 28  ? -23.499 -2.794  -34.606 1.00 49.38 ? 34  ARG   B NH1 1 
ATOM   244  N NH2 . ARG   A 1 28  ? -21.434 -1.850  -34.896 1.00 59.30 ? 34  ARG   B NH2 1 
ATOM   245  N N   . ARG   A 1 29  ? -24.773 0.722   -28.607 1.00 14.30 ? 35  ARG   B N   1 
ATOM   246  C CA  . ARG   A 1 29  ? -24.399 0.200   -27.271 1.00 15.81 ? 35  ARG   B CA  1 
ATOM   247  C C   . ARG   A 1 29  ? -25.574 0.166   -26.277 1.00 15.32 ? 35  ARG   B C   1 
ATOM   248  O O   . ARG   A 1 29  ? -25.371 -0.375  -25.167 1.00 16.11 ? 35  ARG   B O   1 
ATOM   249  C CB  . ARG   A 1 29  ? -23.220 0.990   -26.694 1.00 17.23 ? 35  ARG   B CB  1 
ATOM   250  C CG  . ARG   A 1 29  ? -21.993 0.853   -27.579 1.00 18.41 ? 35  ARG   B CG  1 
ATOM   251  C CD  . ARG   A 1 29  ? -21.140 -0.350  -27.288 1.00 21.75 ? 35  ARG   B CD  1 
ATOM   252  N NE  . ARG   A 1 29  ? -20.365 -0.121  -26.062 1.00 24.25 ? 35  ARG   B NE  1 
ATOM   253  C CZ  . ARG   A 1 29  ? -19.622 -1.067  -25.488 1.00 24.18 ? 35  ARG   B CZ  1 
ATOM   254  N NH1 . ARG   A 1 29  ? -19.568 -2.255  -26.046 1.00 23.78 ? 35  ARG   B NH1 1 
ATOM   255  N NH2 . ARG   A 1 29  ? -18.941 -0.821  -24.388 1.00 23.24 ? 35  ARG   B NH2 1 
ATOM   256  N N   . GLN   A 1 30  ? -26.726 0.766   -26.591 1.00 14.66 ? 36  GLN   B N   1 
ATOM   257  C CA  . GLN   A 1 30  ? -27.909 0.803   -25.700 1.00 14.61 ? 36  GLN   B CA  1 
ATOM   258  C C   . GLN   A 1 30  ? -29.162 0.410   -26.473 1.00 14.72 ? 36  GLN   B C   1 
ATOM   259  O O   . GLN   A 1 30  ? -29.242 0.626   -27.730 1.00 14.10 ? 36  GLN   B O   1 
ATOM   260  C CB  . GLN   A 1 30  ? -28.163 2.183   -25.081 1.00 17.15 ? 36  GLN   B CB  1 
ATOM   261  C CG  . GLN   A 1 30  ? -26.955 2.800   -24.447 1.00 20.59 ? 36  GLN   B CG  1 
ATOM   262  C CD  . GLN   A 1 30  ? -27.351 4.032   -23.671 1.00 23.51 ? 36  GLN   B CD  1 
ATOM   263  O OE1 . GLN   A 1 30  ? -28.504 4.235   -23.299 1.00 24.68 ? 36  GLN   B OE1 1 
ATOM   264  N NE2 . GLN   A 1 30  ? -26.378 4.888   -23.462 1.00 28.42 ? 36  GLN   B NE2 1 
ATOM   265  N N   . VAL   A 1 31  ? -30.087 -0.247  -25.769 1.00 13.46 ? 37  VAL   B N   1 
ATOM   266  C CA  . VAL   A 1 31  ? -31.378 -0.653  -26.384 1.00 13.94 ? 37  VAL   B CA  1 
ATOM   267  C C   . VAL   A 1 31  ? -32.472 -0.444  -25.347 1.00 14.32 ? 37  VAL   B C   1 
ATOM   268  O O   . VAL   A 1 31  ? -32.283 -0.792  -24.175 1.00 13.84 ? 37  VAL   B O   1 
ATOM   269  C CB  . VAL   A 1 31  ? -31.342 -2.074  -26.977 1.00 13.10 ? 37  VAL   B CB  1 
ATOM   270  C CG1 . VAL   A 1 31  ? -30.900 -3.161  -25.972 1.00 12.78 ? 37  VAL   B CG1 1 
ATOM   271  C CG2 . VAL   A 1 31  ? -32.681 -2.448  -27.636 1.00 14.93 ? 37  VAL   B CG2 1 
ATOM   272  N N   . ARG   A 1 32  ? -33.603 0.072   -25.779 1.00 13.96 ? 38  ARG   B N   1 
ATOM   273  C CA  . ARG   A 1 32  ? -34.792 0.171   -24.897 1.00 14.34 ? 38  ARG   B CA  1 
ATOM   274  C C   . ARG   A 1 32  ? -36.052 -0.135  -25.697 1.00 15.18 ? 38  ARG   B C   1 
ATOM   275  O O   . ARG   A 1 32  ? -36.043 -0.076  -26.960 1.00 12.96 ? 38  ARG   B O   1 
ATOM   276  C CB  . ARG   A 1 32  ? -34.898 1.540   -24.227 1.00 15.82 ? 38  ARG   B CB  1 
ATOM   277  C CG  . ARG   A 1 32  ? -35.272 2.661   -25.177 1.00 18.39 ? 38  ARG   B CG  1 
ATOM   278  C CD  . ARG   A 1 32  ? -35.146 4.003   -24.478 1.00 21.58 ? 38  ARG   B CD  1 
ATOM   279  N NE  . ARG   A 1 32  ? -35.380 5.100   -25.407 1.00 26.39 ? 38  ARG   B NE  1 
ATOM   280  C CZ  . ARG   A 1 32  ? -36.561 5.618   -25.705 1.00 27.11 ? 38  ARG   B CZ  1 
ATOM   281  N NH1 . ARG   A 1 32  ? -37.675 5.103   -25.226 1.00 31.00 ? 38  ARG   B NH1 1 
ATOM   282  N NH2 . ARG   A 1 32  ? -36.627 6.620   -26.571 1.00 31.03 ? 38  ARG   B NH2 1 
ATOM   283  N N   A MET   A 1 33  ? -37.114 -0.443  -24.958 0.40 15.15 ? 39  MET   B N   1 
ATOM   284  N N   B MET   A 1 33  ? -37.136 -0.485  -25.001 0.28 15.99 ? 39  MET   B N   1 
ATOM   285  C CA  A MET   A 1 33  ? -38.481 -0.664  -25.503 0.40 16.69 ? 39  MET   B CA  1 
ATOM   286  C CA  B MET   A 1 33  ? -38.447 -0.773  -25.655 0.28 17.62 ? 39  MET   B CA  1 
ATOM   287  C C   A MET   A 1 33  ? -39.067 0.693   -25.911 0.40 16.72 ? 39  MET   B C   1 
ATOM   288  C C   B MET   A 1 33  ? -39.188 0.547   -25.887 0.28 17.39 ? 39  MET   B C   1 
ATOM   289  O O   A MET   A 1 33  ? -39.032 1.635   -25.093 0.40 17.69 ? 39  MET   B O   1 
ATOM   290  O O   B MET   A 1 33  ? -39.463 1.251   -24.890 0.28 17.88 ? 39  MET   B O   1 
ATOM   291  C CB  A MET   A 1 33  ? -39.356 -1.331  -24.435 0.40 18.03 ? 39  MET   B CB  1 
ATOM   292  C CB  B MET   A 1 33  ? -39.333 -1.707  -24.825 0.28 19.70 ? 39  MET   B CB  1 
ATOM   293  C CG  A MET   A 1 33  ? -40.758 -1.670  -24.906 0.40 20.10 ? 39  MET   B CG  1 
ATOM   294  C CG  B MET   A 1 33  ? -40.697 -1.968  -25.485 0.28 22.58 ? 39  MET   B CG  1 
ATOM   295  S SD  A MET   A 1 33  ? -40.692 -2.793  -26.339 0.40 21.52 ? 39  MET   B SD  1 
ATOM   296  S SD  B MET   A 1 33  ? -41.264 -3.676  -25.276 0.28 25.64 ? 39  MET   B SD  1 
ATOM   297  C CE  A MET   A 1 33  ? -42.195 -3.739  -26.121 0.40 21.50 ? 39  MET   B CE  1 
ATOM   298  C CE  B MET   A 1 33  ? -42.224 -3.867  -26.776 0.28 24.75 ? 39  MET   B CE  1 
ATOM   299  N N   . GLY   A 1 34  ? -39.525 0.806   -27.153 1.00 16.71 ? 40  GLY   B N   1 
ATOM   300  C CA  . GLY   A 1 34  ? -40.230 2.009   -27.623 1.00 17.29 ? 40  GLY   B CA  1 
ATOM   301  C C   . GLY   A 1 34  ? -41.686 1.956   -27.192 1.00 18.98 ? 40  GLY   B C   1 
ATOM   302  O O   . GLY   A 1 34  ? -42.142 0.867   -26.766 1.00 18.71 ? 40  GLY   B O   1 
ATOM   303  N N   . ASP   A 1 35  ? -42.406 3.079   -27.313 1.00 21.89 ? 41  ASP   B N   1 
ATOM   304  C CA  . ASP   A 1 35  ? -43.844 3.075   -26.896 1.00 26.98 ? 41  ASP   B CA  1 
ATOM   305  C C   . ASP   A 1 35  ? -44.725 2.634   -28.087 1.00 24.95 ? 41  ASP   B C   1 
ATOM   306  O O   . ASP   A 1 35  ? -45.963 2.486   -27.912 1.00 25.04 ? 41  ASP   B O   1 
ATOM   307  C CB  . ASP   A 1 35  ? -44.226 4.393   -26.202 1.00 36.61 ? 41  ASP   B CB  1 
ATOM   308  C CG  . ASP   A 1 35  ? -43.955 4.420   -24.686 1.00 48.65 ? 41  ASP   B CG  1 
ATOM   309  O OD1 . ASP   A 1 35  ? -43.810 3.329   -24.057 1.00 54.28 ? 41  ASP   B OD1 1 
ATOM   310  O OD2 . ASP   A 1 35  ? -43.889 5.532   -24.116 1.00 56.59 ? 41  ASP   B OD2 1 
ATOM   311  N N   . THR   A 1 36  ? -44.130 2.345   -29.238 1.00 20.64 ? 42  THR   B N   1 
ATOM   312  C CA  . THR   A 1 36  ? -44.850 1.926   -30.473 1.00 19.71 ? 42  THR   B CA  1 
ATOM   313  C C   . THR   A 1 36  ? -43.891 1.177   -31.396 1.00 18.89 ? 42  THR   B C   1 
ATOM   314  O O   . THR   A 1 36  ? -42.646 1.159   -31.153 1.00 15.95 ? 42  THR   B O   1 
ATOM   315  C CB  . THR   A 1 36  ? -45.453 3.182   -31.134 1.00 21.31 ? 42  THR   B CB  1 
ATOM   316  O OG1 . THR   A 1 36  ? -46.344 2.769   -32.163 1.00 23.91 ? 42  THR   B OG1 1 
ATOM   317  C CG2 . THR   A 1 36  ? -44.367 4.043   -31.744 1.00 23.76 ? 42  THR   B CG2 1 
ATOM   318  N N   . HIS   A 1 37  ? -44.424 0.578   -32.461 0.50 20.77 ? 43  HIS   B N   1 
ATOM   319  C CA  . HIS   A 1 37  ? -43.660 0.009   -33.607 0.50 22.35 ? 43  HIS   B CA  1 
ATOM   320  C C   . HIS   A 1 37  ? -42.753 1.105   -34.210 0.50 21.55 ? 43  HIS   B C   1 
ATOM   321  O O   . HIS   A 1 37  ? -43.296 2.171   -34.567 0.50 22.63 ? 43  HIS   B O   1 
ATOM   322  C CB  . HIS   A 1 37  ? -44.702 -0.613  -34.559 0.50 23.78 ? 43  HIS   B CB  1 
ATOM   323  C CG  . HIS   A 1 37  ? -44.190 -1.617  -35.535 0.50 24.57 ? 43  HIS   B CG  1 
ATOM   324  N ND1 . HIS   A 1 37  ? -43.560 -1.244  -36.702 0.50 25.33 ? 43  HIS   B ND1 1 
ATOM   325  C CD2 . HIS   A 1 37  ? -44.278 -2.964  -35.565 0.50 25.36 ? 43  HIS   B CD2 1 
ATOM   326  C CE1 . HIS   A 1 37  ? -43.245 -2.321  -37.390 0.50 25.10 ? 43  HIS   B CE1 1 
ATOM   327  N NE2 . HIS   A 1 37  ? -43.670 -3.393  -36.711 0.50 24.80 ? 43  HIS   B NE2 1 
ATOM   328  N N   . GLN   A 1 38  ? -41.431 0.853   -34.346 1.00 18.43 ? 44  GLN   B N   1 
ATOM   329  C CA  . GLN   A 1 38  ? -40.394 1.874   -34.681 1.00 18.82 ? 44  GLN   B CA  1 
ATOM   330  C C   . GLN   A 1 38  ? -40.179 2.212   -36.173 1.00 23.12 ? 44  GLN   B C   1 
ATOM   331  O O   . GLN   A 1 38  ? -39.118 2.820   -36.537 1.00 23.27 ? 44  GLN   B O   1 
ATOM   332  C CB  . GLN   A 1 38  ? -39.074 1.485   -34.017 1.00 18.89 ? 44  GLN   B CB  1 
ATOM   333  C CG  . GLN   A 1 38  ? -39.128 1.627   -32.519 1.00 17.54 ? 44  GLN   B CG  1 
ATOM   334  C CD  . GLN   A 1 38  ? -39.621 2.966   -32.045 1.00 18.62 ? 44  GLN   B CD  1 
ATOM   335  O OE1 . GLN   A 1 38  ? -40.605 3.086   -31.307 1.00 19.10 ? 44  GLN   B OE1 1 
ATOM   336  N NE2 . GLN   A 1 38  ? -38.967 4.025   -32.504 1.00 18.29 ? 44  GLN   B NE2 1 
ATOM   337  N N   . ASN   A 1 39  ? -41.141 1.916   -37.014 1.00 18.53 ? 45  ASN   B N   1 
ATOM   338  C CA  . ASN   A 1 39  ? -41.201 2.420   -38.424 1.00 16.97 ? 45  ASN   B CA  1 
ATOM   339  C C   . ASN   A 1 39  ? -40.103 1.779   -39.275 1.00 18.29 ? 45  ASN   B C   1 
ATOM   340  O O   . ASN   A 1 39  ? -39.553 2.432   -40.171 1.00 20.91 ? 45  ASN   B O   1 
ATOM   341  C CB  . ASN   A 1 39  ? -41.252 3.956   -38.522 1.00 18.12 ? 45  ASN   B CB  1 
ATOM   342  C CG  . ASN   A 1 39  ? -41.835 4.405   -39.856 1.00 19.19 ? 45  ASN   B CG  1 
ATOM   343  O OD1 . ASN   A 1 39  ? -42.702 3.720   -40.405 1.00 17.03 ? 45  ASN   B OD1 1 
ATOM   344  N ND2 . ASN   A 1 39  ? -41.372 5.530   -40.392 1.00 17.31 ? 45  ASN   B ND2 1 
ATOM   345  N N   . VAL   A 1 40  ? -39.824 0.503   -39.028 1.00 19.19 ? 46  VAL   B N   1 
ATOM   346  C CA  . VAL   A 1 40  ? -38.828 -0.336  -39.748 1.00 20.11 ? 46  VAL   B CA  1 
ATOM   347  C C   . VAL   A 1 40  ? -39.573 -1.397  -40.567 1.00 17.89 ? 46  VAL   B C   1 
ATOM   348  O O   . VAL   A 1 40  ? -40.657 -1.798  -40.164 1.00 18.67 ? 46  VAL   B O   1 
ATOM   349  C CB  . VAL   A 1 40  ? -37.852 -0.978  -38.749 1.00 19.72 ? 46  VAL   B CB  1 
ATOM   350  C CG1 . VAL   A 1 40  ? -36.981 0.069   -38.075 1.00 23.34 ? 46  VAL   B CG1 1 
ATOM   351  C CG2 . VAL   A 1 40  ? -38.531 -1.841  -37.687 1.00 21.49 ? 46  VAL   B CG2 1 
ATOM   352  N N   . SER   A 1 41  ? -38.968 -1.879  -41.644 1.00 20.69 ? 47  SER   B N   1 
ATOM   353  C CA  . SER   A 1 41  ? -39.537 -3.013  -42.400 1.00 21.29 ? 47  SER   B CA  1 
ATOM   354  C C   . SER   A 1 41  ? -39.341 -4.306  -41.617 1.00 20.73 ? 47  SER   B C   1 
ATOM   355  O O   . SER   A 1 41  ? -38.404 -4.424  -40.822 1.00 19.06 ? 47  SER   B O   1 
ATOM   356  C CB  . SER   A 1 41  ? -38.949 -3.115  -43.802 1.00 23.53 ? 47  SER   B CB  1 
ATOM   357  O OG  . SER   A 1 41  ? -37.552 -3.337  -43.727 1.00 25.01 ? 47  SER   B OG  1 
ATOM   358  N N   . ASP   A 1 42  ? -40.183 -5.290  -41.881 1.00 19.29 ? 48  ASP   B N   1 
ATOM   359  C CA  . ASP   A 1 42  ? -40.036 -6.637  -41.305 1.00 20.08 ? 48  ASP   B CA  1 
ATOM   360  C C   . ASP   A 1 42  ? -38.947 -7.374  -42.086 1.00 20.96 ? 48  ASP   B C   1 
ATOM   361  O O   . ASP   A 1 42  ? -38.682 -7.043  -43.265 1.00 21.42 ? 48  ASP   B O   1 
ATOM   362  C CB  . ASP   A 1 42  ? -41.372 -7.356  -41.282 1.00 22.21 ? 48  ASP   B CB  1 
ATOM   363  C CG  . ASP   A 1 42  ? -41.260 -8.618  -40.472 1.00 26.35 ? 48  ASP   B CG  1 
ATOM   364  O OD1 . ASP   A 1 42  ? -40.520 -8.602  -39.394 1.00 20.19 ? 48  ASP   B OD1 1 
ATOM   365  O OD2 . ASP   A 1 42  ? -41.775 -9.623  -40.988 1.00 31.12 ? 48  ASP   B OD2 1 
ATOM   366  N N   . ASN   A 1 43  ? -38.312 -8.349  -41.450 1.00 19.29 ? 49  ASN   B N   1 
ATOM   367  C CA  . ASN   A 1 43  ? -37.306 -9.229  -42.094 1.00 19.49 ? 49  ASN   B CA  1 
ATOM   368  C C   . ASN   A 1 43  ? -37.283 -10.542 -41.305 1.00 20.35 ? 49  ASN   B C   1 
ATOM   369  O O   . ASN   A 1 43  ? -37.830 -10.608 -40.151 1.00 21.32 ? 49  ASN   B O   1 
ATOM   370  C CB  . ASN   A 1 43  ? -35.958 -8.541  -42.279 1.00 20.02 ? 49  ASN   B CB  1 
ATOM   371  C CG  . ASN   A 1 43  ? -35.225 -8.349  -40.964 1.00 20.70 ? 49  ASN   B CG  1 
ATOM   372  O OD1 . ASN   A 1 43  ? -34.996 -9.316  -40.242 1.00 23.27 ? 49  ASN   B OD1 1 
ATOM   373  N ND2 . ASN   A 1 43  ? -34.881 -7.134  -40.624 1.00 20.22 ? 49  ASN   B ND2 1 
ATOM   374  N N   . LYS   A 1 44  ? -36.664 -11.560 -41.870 1.00 20.87 ? 50  LYS   B N   1 
ATOM   375  C CA  . LYS   A 1 44  ? -36.697 -12.917 -41.287 1.00 22.35 ? 50  LYS   B CA  1 
ATOM   376  C C   . LYS   A 1 44  ? -35.773 -13.004 -40.057 1.00 19.38 ? 50  LYS   B C   1 
ATOM   377  O O   . LYS   A 1 44  ? -35.940 -13.986 -39.302 1.00 20.45 ? 50  LYS   B O   1 
ATOM   378  C CB  . LYS   A 1 44  ? -36.247 -13.936 -42.345 1.00 25.46 ? 50  LYS   B CB  1 
ATOM   379  C CG  . LYS   A 1 44  ? -34.788 -13.835 -42.739 1.00 29.89 ? 50  LYS   B CG  1 
ATOM   380  C CD  . LYS   A 1 44  ? -34.423 -14.686 -43.968 1.00 38.67 ? 50  LYS   B CD  1 
ATOM   381  C CE  . LYS   A 1 44  ? -32.968 -15.103 -43.972 1.00 42.91 ? 50  LYS   B CE  1 
ATOM   382  N NZ  . LYS   A 1 44  ? -32.677 -15.998 -45.118 1.00 45.99 ? 50  LYS   B NZ  1 
ATOM   383  N N   . GLU   A 1 45  ? -34.894 -12.030 -39.838 1.00 18.41 ? 51  GLU   B N   1 
ATOM   384  C CA  . GLU   A 1 45  ? -33.972 -12.024 -38.656 1.00 19.70 ? 51  GLU   B CA  1 
ATOM   385  C C   . GLU   A 1 45  ? -34.703 -11.531 -37.398 1.00 18.35 ? 51  GLU   B C   1 
ATOM   386  O O   . GLU   A 1 45  ? -34.243 -11.848 -36.278 1.00 19.37 ? 51  GLU   B O   1 
ATOM   387  C CB  . GLU   A 1 45  ? -32.758 -11.142 -38.923 1.00 23.30 ? 51  GLU   B CB  1 
ATOM   388  C CG  . GLU   A 1 45  ? -31.848 -11.640 -40.034 1.00 27.44 ? 51  GLU   B CG  1 
ATOM   389  C CD  . GLU   A 1 45  ? -30.652 -10.723 -40.248 1.00 36.24 ? 51  GLU   B CD  1 
ATOM   390  O OE1 . GLU   A 1 45  ? -30.633 -10.002 -41.267 1.00 46.63 ? 51  GLU   B OE1 1 
ATOM   391  O OE2 . GLU   A 1 45  ? -29.758 -10.689 -39.385 1.00 43.21 ? 51  GLU   B OE2 1 
ATOM   392  N N   . ARG   A 1 46  ? -35.718 -10.678 -37.529 1.00 16.01 ? 52  ARG   B N   1 
ATOM   393  C CA  . ARG   A 1 46  ? -36.273 -9.971  -36.345 1.00 16.41 ? 52  ARG   B CA  1 
ATOM   394  C C   . ARG   A 1 46  ? -36.981 -10.937 -35.397 1.00 15.61 ? 52  ARG   B C   1 
ATOM   395  O O   . ARG   A 1 46  ? -37.809 -11.775 -35.815 1.00 16.76 ? 52  ARG   B O   1 
ATOM   396  C CB  . ARG   A 1 46  ? -37.267 -8.877  -36.749 1.00 16.82 ? 52  ARG   B CB  1 
ATOM   397  C CG  . ARG   A 1 46  ? -36.685 -7.724  -37.533 1.00 16.67 ? 52  ARG   B CG  1 
ATOM   398  C CD  . ARG   A 1 46  ? -37.637 -6.524  -37.507 1.00 16.22 ? 52  ARG   B CD  1 
ATOM   399  N NE  . ARG   A 1 46  ? -37.132 -5.492  -38.368 1.00 16.48 ? 52  ARG   B NE  1 
ATOM   400  C CZ  . ARG   A 1 46  ? -36.049 -4.756  -38.126 1.00 17.40 ? 52  ARG   B CZ  1 
ATOM   401  N NH1 . ARG   A 1 46  ? -35.393 -4.797  -36.961 1.00 16.54 ? 52  ARG   B NH1 1 
ATOM   402  N NH2 . ARG   A 1 46  ? -35.635 -3.909  -39.049 1.00 21.19 ? 52  ARG   B NH2 1 
ATOM   403  N N   . PHE   A 1 47  ? -36.702 -10.856 -34.096 1.00 14.03 ? 53  PHE   B N   1 
ATOM   404  C CA  . PHE   A 1 47  ? -37.515 -11.569 -33.087 1.00 13.99 ? 53  PHE   B CA  1 
ATOM   405  C C   . PHE   A 1 47  ? -38.943 -10.988 -33.138 1.00 16.02 ? 53  PHE   B C   1 
ATOM   406  O O   . PHE   A 1 47  ? -39.091 -9.786  -32.896 1.00 16.88 ? 53  PHE   B O   1 
ATOM   407  C CB  . PHE   A 1 47  ? -36.891 -11.466 -31.702 1.00 14.10 ? 53  PHE   B CB  1 
ATOM   408  C CG  . PHE   A 1 47  ? -35.658 -12.320 -31.552 1.00 13.87 ? 53  PHE   B CG  1 
ATOM   409  C CD1 . PHE   A 1 47  ? -35.772 -13.675 -31.306 1.00 13.65 ? 53  PHE   B CD1 1 
ATOM   410  C CD2 . PHE   A 1 47  ? -34.402 -11.750 -31.629 1.00 14.98 ? 53  PHE   B CD2 1 
ATOM   411  C CE1 . PHE   A 1 47  ? -34.635 -14.460 -31.171 1.00 13.62 ? 53  PHE   B CE1 1 
ATOM   412  C CE2 . PHE   A 1 47  ? -33.275 -12.544 -31.474 1.00 15.58 ? 53  PHE   B CE2 1 
ATOM   413  C CZ  . PHE   A 1 47  ? -33.404 -13.898 -31.272 1.00 13.67 ? 53  PHE   B CZ  1 
ATOM   414  N N   . SER   A 1 48  ? -39.949 -11.810 -33.408 1.00 16.79 ? 54  SER   B N   1 
ATOM   415  C CA  . SER   A 1 48  ? -41.336 -11.300 -33.586 1.00 17.86 ? 54  SER   B CA  1 
ATOM   416  C C   . SER   A 1 48  ? -42.102 -11.189 -32.261 1.00 16.71 ? 54  SER   B C   1 
ATOM   417  O O   . SER   A 1 48  ? -42.880 -10.215 -32.126 1.00 20.70 ? 54  SER   B O   1 
ATOM   418  C CB  . SER   A 1 48  ? -42.082 -12.161 -34.579 1.00 17.76 ? 54  SER   B CB  1 
ATOM   419  O OG  . SER   A 1 48  ? -42.208 -13.476 -34.104 1.00 17.85 ? 54  SER   B OG  1 
ATOM   420  N N   . ASN   A 1 49  ? -41.924 -12.083 -31.300 1.00 15.50 ? 55  ASN   B N   1 
ATOM   421  C CA  . ASN   A 1 49  ? -42.864 -12.265 -30.169 1.00 16.63 ? 55  ASN   B CA  1 
ATOM   422  C C   . ASN   A 1 49  ? -42.398 -11.526 -28.922 1.00 16.42 ? 55  ASN   B C   1 
ATOM   423  O O   . ASN   A 1 49  ? -43.211 -11.372 -27.957 1.00 17.43 ? 55  ASN   B O   1 
ATOM   424  C CB  . ASN   A 1 49  ? -43.179 -13.711 -29.833 1.00 17.47 ? 55  ASN   B CB  1 
ATOM   425  C CG  . ASN   A 1 49  ? -44.128 -14.374 -30.821 1.00 21.74 ? 55  ASN   B CG  1 
ATOM   426  O OD1 . ASN   A 1 49  ? -43.944 -14.272 -32.032 1.00 22.44 ? 55  ASN   B OD1 1 
ATOM   427  N ND2 . ASN   A 1 49  ? -45.054 -15.163 -30.287 1.00 24.22 ? 55  ASN   B ND2 1 
ATOM   428  N N   . TYR   A 1 50  ? -41.109 -11.188 -28.857 1.00 14.02 ? 56  TYR   B N   1 
ATOM   429  C CA  . TYR   A 1 50  ? -40.489 -10.722 -27.598 1.00 13.59 ? 56  TYR   B CA  1 
ATOM   430  C C   . TYR   A 1 50  ? -39.542 -9.580  -27.911 1.00 13.16 ? 56  TYR   B C   1 
ATOM   431  O O   . TYR   A 1 50  ? -38.968 -9.534  -29.003 1.00 13.90 ? 56  TYR   B O   1 
ATOM   432  C CB  . TYR   A 1 50  ? -39.667 -11.844 -26.954 1.00 13.37 ? 56  TYR   B CB  1 
ATOM   433  C CG  . TYR   A 1 50  ? -40.391 -13.161 -26.829 1.00 14.01 ? 56  TYR   B CG  1 
ATOM   434  C CD1 . TYR   A 1 50  ? -41.408 -13.338 -25.907 1.00 15.71 ? 56  TYR   B CD1 1 
ATOM   435  C CD2 . TYR   A 1 50  ? -40.062 -14.236 -27.628 1.00 14.61 ? 56  TYR   B CD2 1 
ATOM   436  C CE1 . TYR   A 1 50  ? -42.076 -14.566 -25.773 1.00 18.11 ? 56  TYR   B CE1 1 
ATOM   437  C CE2 . TYR   A 1 50  ? -40.771 -15.428 -27.576 1.00 16.08 ? 56  TYR   B CE2 1 
ATOM   438  C CZ  . TYR   A 1 50  ? -41.748 -15.613 -26.612 1.00 17.42 ? 56  TYR   B CZ  1 
ATOM   439  O OH  . TYR   A 1 50  ? -42.364 -16.848 -26.574 1.00 18.64 ? 56  TYR   B OH  1 
ATOM   440  N N   . PRO   A 1 51  ? -39.248 -8.714  -26.917 1.00 12.45 ? 57  PRO   B N   1 
ATOM   441  C CA  . PRO   A 1 51  ? -38.382 -7.543  -27.137 1.00 12.78 ? 57  PRO   B CA  1 
ATOM   442  C C   . PRO   A 1 51  ? -36.863 -7.858  -27.120 1.00 13.44 ? 57  PRO   B C   1 
ATOM   443  O O   . PRO   A 1 51  ? -36.114 -7.326  -26.298 1.00 13.64 ? 57  PRO   B O   1 
ATOM   444  C CB  . PRO   A 1 51  ? -38.736 -6.586  -25.968 1.00 14.86 ? 57  PRO   B CB  1 
ATOM   445  C CG  . PRO   A 1 51  ? -39.994 -7.185  -25.348 1.00 13.81 ? 57  PRO   B CG  1 
ATOM   446  C CD  . PRO   A 1 51  ? -39.915 -8.652  -25.631 1.00 13.29 ? 57  PRO   B CD  1 
ATOM   447  N N   . MET   A 1 52  ? -36.466 -8.737  -28.050 1.00 12.90 ? 58  MET   B N   1 
ATOM   448  C CA  . MET   A 1 52  ? -35.099 -9.330  -28.107 1.00 11.35 ? 58  MET   B CA  1 
ATOM   449  C C   . MET   A 1 52  ? -34.288 -8.737  -29.242 1.00 12.12 ? 58  MET   B C   1 
ATOM   450  O O   . MET   A 1 52  ? -34.835 -8.265  -30.290 1.00 12.98 ? 58  MET   B O   1 
ATOM   451  C CB  . MET   A 1 52  ? -35.193 -10.849 -28.275 1.00 12.02 ? 58  MET   B CB  1 
ATOM   452  C CG  . MET   A 1 52  ? -35.788 -11.527 -27.069 1.00 11.92 ? 58  MET   B CG  1 
ATOM   453  S SD  . MET   A 1 52  ? -36.279 -13.236 -27.464 1.00 13.72 ? 58  MET   B SD  1 
ATOM   454  C CE  . MET   A 1 52  ? -36.923 -13.850 -25.918 1.00 13.44 ? 58  MET   B CE  1 
ATOM   455  N N   . VAL   A 1 53  ? -32.968 -8.787  -29.089 1.00 12.19 ? 59  VAL   B N   1 
ATOM   456  C CA  . VAL   A 1 53  ? -32.006 -8.311  -30.127 1.00 13.14 ? 59  VAL   B CA  1 
ATOM   457  C C   . VAL   A 1 53  ? -30.697 -9.092  -29.895 1.00 13.83 ? 59  VAL   B C   1 
ATOM   458  O O   . VAL   A 1 53  ? -30.435 -9.520  -28.716 1.00 12.67 ? 59  VAL   B O   1 
ATOM   459  C CB  . VAL   A 1 53  ? -31.814 -6.779  -30.065 1.00 13.05 ? 59  VAL   B CB  1 
ATOM   460  C CG1 . VAL   A 1 53  ? -31.244 -6.293  -28.742 1.00 13.40 ? 59  VAL   B CG1 1 
ATOM   461  C CG2 . VAL   A 1 53  ? -30.938 -6.282  -31.215 1.00 13.35 ? 59  VAL   B CG2 1 
ATOM   462  N N   . LEU   A 1 54  ? -29.917 -9.270  -30.950 1.00 13.01 ? 60  LEU   B N   1 
ATOM   463  C CA  . LEU   A 1 54  ? -28.587 -9.928  -30.895 1.00 13.12 ? 60  LEU   B CA  1 
ATOM   464  C C   . LEU   A 1 54  ? -27.463 -8.906  -31.017 1.00 13.32 ? 60  LEU   B C   1 
ATOM   465  O O   . LEU   A 1 54  ? -27.613 -7.824  -31.696 1.00 13.88 ? 60  LEU   B O   1 
ATOM   466  C CB  . LEU   A 1 54  ? -28.452 -10.985 -31.995 1.00 12.83 ? 60  LEU   B CB  1 
ATOM   467  C CG  . LEU   A 1 54  ? -29.502 -12.075 -32.049 1.00 13.72 ? 60  LEU   B CG  1 
ATOM   468  C CD1 . LEU   A 1 54  ? -29.150 -13.155 -33.053 1.00 15.07 ? 60  LEU   B CD1 1 
ATOM   469  C CD2 . LEU   A 1 54  ? -29.749 -12.727 -30.692 1.00 13.96 ? 60  LEU   B CD2 1 
ATOM   470  N N   . GLY   A 1 55  ? -26.311 -9.234  -30.440 1.00 13.15 ? 61  GLY   B N   1 
ATOM   471  C CA  . GLY   A 1 55  ? -25.066 -8.535  -30.786 1.00 12.98 ? 61  GLY   B CA  1 
ATOM   472  C C   . GLY   A 1 55  ? -24.665 -8.864  -32.213 1.00 13.19 ? 61  GLY   B C   1 
ATOM   473  O O   . GLY   A 1 55  ? -25.017 -9.961  -32.721 1.00 13.67 ? 61  GLY   B O   1 
ATOM   474  N N   . ALA   A 1 56  ? -23.880 -7.996  -32.819 1.00 15.29 ? 62  ALA   B N   1 
ATOM   475  C CA  . ALA   A 1 56  ? -23.365 -8.155  -34.197 1.00 17.31 ? 62  ALA   B CA  1 
ATOM   476  C C   . ALA   A 1 56  ? -22.249 -9.205  -34.212 1.00 17.51 ? 62  ALA   B C   1 
ATOM   477  O O   . ALA   A 1 56  ? -22.099 -9.901  -35.227 1.00 20.97 ? 62  ALA   B O   1 
ATOM   478  C CB  . ALA   A 1 56  ? -22.867 -6.825  -34.652 1.00 18.16 ? 62  ALA   B CB  1 
ATOM   479  N N   . GLN   A 1 57  ? -21.501 -9.307  -33.120 1.00 16.73 ? 63  GLN   B N   1 
ATOM   480  C CA  . GLN   A 1 57  ? -20.301 -10.185 -33.089 1.00 16.70 ? 63  GLN   B CA  1 
ATOM   481  C C   . GLN   A 1 57  ? -20.747 -11.648 -33.117 1.00 18.40 ? 63  GLN   B C   1 
ATOM   482  O O   . GLN   A 1 57  ? -21.756 -11.999 -32.470 1.00 17.65 ? 63  GLN   B O   1 
ATOM   483  C CB  . GLN   A 1 57  ? -19.442 -9.858  -31.858 1.00 18.30 ? 63  GLN   B CB  1 
ATOM   484  C CG  . GLN   A 1 57  ? -18.767 -8.487  -31.913 1.00 20.57 ? 63  GLN   B CG  1 
ATOM   485  C CD  . GLN   A 1 57  ? -19.731 -7.309  -31.805 1.00 19.94 ? 63  GLN   B CD  1 
ATOM   486  O OE1 . GLN   A 1 57  ? -20.709 -7.338  -31.062 1.00 18.72 ? 63  GLN   B OE1 1 
ATOM   487  N NE2 . GLN   A 1 57  ? -19.470 -6.237  -32.522 1.00 22.02 ? 63  GLN   B NE2 1 
ATOM   488  N N   . ARG   A 1 58  ? -19.982 -12.504 -33.815 1.00 18.33 ? 64  ARG   B N   1 
ATOM   489  C CA  . ARG   A 1 58  ? -20.166 -13.969 -33.841 1.00 17.99 ? 64  ARG   B CA  1 
ATOM   490  C C   . ARG   A 1 58  ? -18.893 -14.606 -33.281 1.00 17.33 ? 64  ARG   B C   1 
ATOM   491  O O   . ARG   A 1 58  ? -17.793 -14.153 -33.658 1.00 19.84 ? 64  ARG   B O   1 
ATOM   492  C CB  . ARG   A 1 58  ? -20.340 -14.526 -35.265 1.00 24.11 ? 64  ARG   B CB  1 
ATOM   493  C CG  . ARG   A 1 58  ? -21.716 -14.348 -35.905 1.00 31.44 ? 64  ARG   B CG  1 
ATOM   494  C CD  . ARG   A 1 58  ? -22.305 -12.962 -35.779 1.00 34.00 ? 64  ARG   B CD  1 
ATOM   495  N NE  . ARG   A 1 58  ? -23.141 -12.338 -36.813 1.00 40.22 ? 64  ARG   B NE  1 
ATOM   496  C CZ  . ARG   A 1 58  ? -23.777 -12.909 -37.840 1.00 38.96 ? 64  ARG   B CZ  1 
ATOM   497  N NH1 . ARG   A 1 58  ? -24.483 -12.138 -38.648 1.00 43.79 ? 64  ARG   B NH1 1 
ATOM   498  N NH2 . ARG   A 1 58  ? -23.749 -14.207 -38.067 1.00 44.71 ? 64  ARG   B NH2 1 
ATOM   499  N N   . PHE   A 1 59  ? -19.025 -15.566 -32.373 1.00 17.75 ? 65  PHE   B N   1 
ATOM   500  C CA  . PHE   A 1 59  ? -17.863 -16.200 -31.694 1.00 16.51 ? 65  PHE   B CA  1 
ATOM   501  C C   . PHE   A 1 59  ? -17.917 -17.690 -31.992 1.00 15.77 ? 65  PHE   B C   1 
ATOM   502  O O   . PHE   A 1 59  ? -18.944 -18.313 -31.755 1.00 14.28 ? 65  PHE   B O   1 
ATOM   503  C CB  . PHE   A 1 59  ? -17.942 -15.959 -30.166 1.00 18.72 ? 65  PHE   B CB  1 
ATOM   504  C CG  . PHE   A 1 59  ? -17.977 -14.493 -29.805 1.00 19.42 ? 65  PHE   B CG  1 
ATOM   505  C CD1 . PHE   A 1 59  ? -16.991 -13.631 -30.275 1.00 22.77 ? 65  PHE   B CD1 1 
ATOM   506  C CD2 . PHE   A 1 59  ? -18.976 -13.977 -29.013 1.00 26.31 ? 65  PHE   B CD2 1 
ATOM   507  C CE1 . PHE   A 1 59  ? -17.006 -12.277 -29.978 1.00 24.96 ? 65  PHE   B CE1 1 
ATOM   508  C CE2 . PHE   A 1 59  ? -18.958 -12.625 -28.681 1.00 22.15 ? 65  PHE   B CE2 1 
ATOM   509  C CZ  . PHE   A 1 59  ? -18.013 -11.786 -29.195 1.00 22.25 ? 65  PHE   B CZ  1 
ATOM   510  N N   A SER   A 1 60  ? -16.812 -18.274 -32.471 0.25 15.79 ? 66  SER   B N   1 
ATOM   511  N N   B SER   A 1 60  ? -16.813 -18.264 -32.490 0.25 16.22 ? 66  SER   B N   1 
ATOM   512  C CA  A SER   A 1 60  ? -16.721 -19.731 -32.759 0.25 15.63 ? 66  SER   B CA  1 
ATOM   513  C CA  B SER   A 1 60  ? -16.681 -19.718 -32.785 0.25 16.41 ? 66  SER   B CA  1 
ATOM   514  C C   A SER   A 1 60  ? -15.502 -20.349 -32.057 0.25 15.66 ? 66  SER   B C   1 
ATOM   515  C C   B SER   A 1 60  ? -15.389 -20.277 -32.185 0.25 16.89 ? 66  SER   B C   1 
ATOM   516  O O   A SER   A 1 60  ? -15.339 -21.584 -32.125 0.25 15.01 ? 66  SER   B O   1 
ATOM   517  O O   B SER   A 1 60  ? -14.954 -21.356 -32.626 0.25 16.62 ? 66  SER   B O   1 
ATOM   518  C CB  A SER   A 1 60  ? -16.745 -19.980 -34.252 0.25 16.01 ? 66  SER   B CB  1 
ATOM   519  C CB  B SER   A 1 60  ? -16.707 -19.972 -34.259 0.25 16.64 ? 66  SER   B CB  1 
ATOM   520  O OG  A SER   A 1 60  ? -18.074 -19.793 -34.758 0.25 16.02 ? 66  SER   B OG  1 
ATOM   521  O OG  B SER   A 1 60  ? -15.667 -19.254 -34.882 0.25 16.52 ? 66  SER   B OG  1 
ATOM   522  N N   A SER   A 1 61  ? -14.718 -19.529 -31.344 0.25 15.42 ? 67  SER   B N   1 
ATOM   523  N N   B SER   A 1 61  ? -14.790 -19.557 -31.235 0.25 17.19 ? 67  SER   B N   1 
ATOM   524  C CA  A SER   A 1 61  ? -13.520 -19.962 -30.581 0.25 16.07 ? 67  SER   B CA  1 
ATOM   525  C CA  B SER   A 1 61  ? -13.523 -19.950 -30.578 0.25 18.15 ? 67  SER   B CA  1 
ATOM   526  C C   A SER   A 1 61  ? -13.221 -18.965 -29.457 0.25 16.88 ? 67  SER   B C   1 
ATOM   527  C C   B SER   A 1 61  ? -13.139 -18.920 -29.518 0.25 18.17 ? 67  SER   B C   1 
ATOM   528  O O   A SER   A 1 61  ? -13.846 -17.900 -29.436 0.25 16.65 ? 67  SER   B O   1 
ATOM   529  O O   B SER   A 1 61  ? -13.582 -17.765 -29.639 0.25 17.73 ? 67  SER   B O   1 
ATOM   530  C CB  A SER   A 1 61  ? -12.337 -20.096 -31.510 0.25 16.07 ? 67  SER   B CB  1 
ATOM   531  C CB  B SER   A 1 61  ? -12.431 -20.088 -31.607 0.25 19.09 ? 67  SER   B CB  1 
ATOM   532  O OG  A SER   A 1 61  ? -11.892 -18.817 -31.924 0.25 15.27 ? 67  SER   B OG  1 
ATOM   533  O OG  B SER   A 1 61  ? -11.199 -20.359 -30.968 0.25 20.60 ? 67  SER   B OG  1 
ATOM   534  N N   . GLY   A 1 62  ? -12.293 -19.316 -28.562 1.00 18.59 ? 68  GLY   B N   1 
ATOM   535  C CA  . GLY   A 1 62  ? -11.681 -18.342 -27.644 1.00 19.68 ? 68  GLY   B CA  1 
ATOM   536  C C   . GLY   A 1 62  ? -12.523 -18.051 -26.418 1.00 17.91 ? 68  GLY   B C   1 
ATOM   537  O O   . GLY   A 1 62  ? -13.523 -18.749 -26.137 1.00 17.63 ? 68  GLY   B O   1 
ATOM   538  N N   . LYS   A 1 63  ? -12.019 -17.083 -25.683 1.00 17.49 ? 69  LYS   B N   1 
ATOM   539  C CA  . LYS   A 1 63  ? -12.589 -16.604 -24.421 1.00 17.76 ? 69  LYS   B CA  1 
ATOM   540  C C   . LYS   A 1 63  ? -13.008 -15.162 -24.652 1.00 17.51 ? 69  LYS   B C   1 
ATOM   541  O O   . LYS   A 1 63  ? -12.209 -14.373 -25.166 1.00 18.37 ? 69  LYS   B O   1 
ATOM   542  C CB  . LYS   A 1 63  ? -11.569 -16.763 -23.293 1.00 18.11 ? 69  LYS   B CB  1 
ATOM   543  C CG  . LYS   A 1 63  ? -11.165 -18.200 -22.964 1.00 19.32 ? 69  LYS   B CG  1 
ATOM   544  C CD  . LYS   A 1 63  ? -10.080 -18.272 -21.845 1.00 22.16 ? 69  LYS   B CD  1 
ATOM   545  C CE  . LYS   A 1 63  ? -9.688  -19.686 -21.465 1.00 26.14 ? 69  LYS   B CE  1 
ATOM   546  N NZ  . LYS   A 1 63  ? -8.562  -19.690 -20.507 1.00 30.46 ? 69  LYS   B NZ  1 
ATOM   547  N N   . MET   A 1 64  ? -14.230 -14.830 -24.229 1.00 16.41 ? 70  MET   B N   1 
ATOM   548  C CA  . MET   A 1 64  ? -14.876 -13.522 -24.474 1.00 15.89 ? 70  MET   B CA  1 
ATOM   549  C C   . MET   A 1 64  ? -15.546 -13.056 -23.187 1.00 14.28 ? 70  MET   B C   1 
ATOM   550  O O   . MET   A 1 64  ? -16.121 -13.870 -22.497 1.00 15.56 ? 70  MET   B O   1 
ATOM   551  C CB  . MET   A 1 64  ? -15.977 -13.660 -25.512 1.00 16.06 ? 70  MET   B CB  1 
ATOM   552  C CG  . MET   A 1 64  ? -15.503 -13.798 -26.946 1.00 17.69 ? 70  MET   B CG  1 
ATOM   553  S SD  . MET   A 1 64  ? -14.755 -15.354 -27.454 1.00 19.36 ? 70  MET   B SD  1 
ATOM   554  C CE  . MET   A 1 64  ? -15.974 -16.596 -27.048 1.00 18.89 ? 70  MET   B CE  1 
ATOM   555  N N   . TYR   A 1 65  ? -15.499 -11.775 -22.892 1.00 13.76 ? 71  TYR   B N   1 
ATOM   556  C CA  . TYR   A 1 65  ? -16.132 -11.208 -21.675 1.00 14.55 ? 71  TYR   B CA  1 
ATOM   557  C C   . TYR   A 1 65  ? -16.754 -9.871  -22.058 1.00 14.23 ? 71  TYR   B C   1 
ATOM   558  O O   . TYR   A 1 65  ? -16.103 -9.034  -22.792 1.00 16.99 ? 71  TYR   B O   1 
ATOM   559  C CB  . TYR   A 1 65  ? -15.085 -11.062 -20.569 1.00 16.57 ? 71  TYR   B CB  1 
ATOM   560  C CG  . TYR   A 1 65  ? -15.612 -10.448 -19.303 1.00 15.62 ? 71  TYR   B CG  1 
ATOM   561  C CD1 . TYR   A 1 65  ? -16.321 -11.216 -18.403 1.00 15.81 ? 71  TYR   B CD1 1 
ATOM   562  C CD2 . TYR   A 1 65  ? -15.450 -9.098  -19.043 1.00 17.03 ? 71  TYR   B CD2 1 
ATOM   563  C CE1 . TYR   A 1 65  ? -16.854 -10.659 -17.244 1.00 16.40 ? 71  TYR   B CE1 1 
ATOM   564  C CE2 . TYR   A 1 65  ? -15.961 -8.529  -17.893 1.00 15.68 ? 71  TYR   B CE2 1 
ATOM   565  C CZ  . TYR   A 1 65  ? -16.660 -9.303  -16.998 1.00 15.83 ? 71  TYR   B CZ  1 
ATOM   566  O OH  . TYR   A 1 65  ? -17.126 -8.691  -15.876 1.00 18.77 ? 71  TYR   B OH  1 
ATOM   567  N N   . TRP   A 1 66  ? -17.968 -9.610  -21.591 1.00 12.97 ? 72  TRP   B N   1 
ATOM   568  C CA  . TRP   A 1 66  ? -18.576 -8.265  -21.684 1.00 13.42 ? 72  TRP   B CA  1 
ATOM   569  C C   . TRP   A 1 66  ? -19.484 -7.998  -20.474 1.00 13.99 ? 72  TRP   B C   1 
ATOM   570  O O   . TRP   A 1 66  ? -19.795 -8.932  -19.720 1.00 14.40 ? 72  TRP   B O   1 
ATOM   571  C CB  . TRP   A 1 66  ? -19.294 -8.060  -23.026 1.00 12.89 ? 72  TRP   B CB  1 
ATOM   572  C CG  . TRP   A 1 66  ? -20.469 -8.947  -23.268 1.00 13.36 ? 72  TRP   B CG  1 
ATOM   573  C CD1 . TRP   A 1 66  ? -21.798 -8.641  -23.057 1.00 13.82 ? 72  TRP   B CD1 1 
ATOM   574  C CD2 . TRP   A 1 66  ? -20.458 -10.277 -23.798 1.00 14.06 ? 72  TRP   B CD2 1 
ATOM   575  N NE1 . TRP   A 1 66  ? -22.585 -9.685  -23.476 1.00 13.84 ? 72  TRP   B NE1 1 
ATOM   576  C CE2 . TRP   A 1 66  ? -21.796 -10.714 -23.893 1.00 13.78 ? 72  TRP   B CE2 1 
ATOM   577  C CE3 . TRP   A 1 66  ? -19.442 -11.144 -24.223 1.00 16.75 ? 72  TRP   B CE3 1 
ATOM   578  C CZ2 . TRP   A 1 66  ? -22.148 -11.961 -24.405 1.00 15.31 ? 72  TRP   B CZ2 1 
ATOM   579  C CZ3 . TRP   A 1 66  ? -19.785 -12.398 -24.664 1.00 17.93 ? 72  TRP   B CZ3 1 
ATOM   580  C CH2 . TRP   A 1 66  ? -21.115 -12.789 -24.776 1.00 17.01 ? 72  TRP   B CH2 1 
ATOM   581  N N   . GLU   A 1 67  ? -19.899 -6.736  -20.297 1.00 13.93 ? 73  GLU   B N   1 
ATOM   582  C CA  . GLU   A 1 67  ? -20.709 -6.299  -19.131 1.00 13.53 ? 73  GLU   B CA  1 
ATOM   583  C C   . GLU   A 1 67  ? -21.927 -5.540  -19.627 1.00 13.76 ? 73  GLU   B C   1 
ATOM   584  O O   . GLU   A 1 67  ? -21.807 -4.808  -20.616 1.00 13.44 ? 73  GLU   B O   1 
ATOM   585  C CB  . GLU   A 1 67  ? -19.881 -5.432  -18.189 1.00 15.36 ? 73  GLU   B CB  1 
ATOM   586  C CG  . GLU   A 1 67  ? -18.818 -6.277  -17.471 1.00 18.08 ? 73  GLU   B CG  1 
ATOM   587  C CD  . GLU   A 1 67  ? -17.917 -5.521  -16.517 1.00 22.87 ? 73  GLU   B CD  1 
ATOM   588  O OE1 . GLU   A 1 67  ? -18.064 -4.269  -16.479 1.00 24.46 ? 73  GLU   B OE1 1 
ATOM   589  O OE2 . GLU   A 1 67  ? -17.118 -6.194  -15.755 1.00 20.34 ? 73  GLU   B OE2 1 
ATOM   590  N N   . VAL   A 1 68  ? -23.051 -5.746  -18.961 1.00 13.27 ? 74  VAL   B N   1 
ATOM   591  C CA  . VAL   A 1 68  ? -24.341 -5.106  -19.286 1.00 13.50 ? 74  VAL   B CA  1 
ATOM   592  C C   . VAL   A 1 68  ? -24.919 -4.423  -18.040 1.00 13.40 ? 74  VAL   B C   1 
ATOM   593  O O   . VAL   A 1 68  ? -25.000 -5.046  -16.977 1.00 14.15 ? 74  VAL   B O   1 
ATOM   594  C CB  . VAL   A 1 68  ? -25.344 -6.125  -19.835 1.00 13.78 ? 74  VAL   B CB  1 
ATOM   595  C CG1 . VAL   A 1 68  ? -26.577 -5.380  -20.322 1.00 15.84 ? 74  VAL   B CG1 1 
ATOM   596  C CG2 . VAL   A 1 68  ? -24.730 -7.010  -20.911 1.00 14.87 ? 74  VAL   B CG2 1 
ATOM   597  N N   . ASP   A 1 69  ? -25.363 -3.183  -18.203 1.00 13.24 ? 75  ASP   B N   1 
ATOM   598  C CA  . ASP   A 1 69  ? -26.025 -2.374  -17.154 1.00 14.50 ? 75  ASP   B CA  1 
ATOM   599  C C   . ASP   A 1 69  ? -27.514 -2.679  -17.208 1.00 13.11 ? 75  ASP   B C   1 
ATOM   600  O O   . ASP   A 1 69  ? -28.117 -2.623  -18.330 1.00 13.21 ? 75  ASP   B O   1 
ATOM   601  C CB  . ASP   A 1 69  ? -25.741 -0.882  -17.334 1.00 16.58 ? 75  ASP   B CB  1 
ATOM   602  C CG  . ASP   A 1 69  ? -26.120 -0.069  -16.105 1.00 17.87 ? 75  ASP   B CG  1 
ATOM   603  O OD1 . ASP   A 1 69  ? -27.292 -0.083  -15.737 1.00 19.02 ? 75  ASP   B OD1 1 
ATOM   604  O OD2 . ASP   A 1 69  ? -25.214 0.455   -15.448 1.00 24.15 ? 75  ASP   B OD2 1 
ATOM   605  N N   . VAL   A 1 70  ? -28.075 -3.065  -16.070 1.00 13.90 ? 76  VAL   B N   1 
ATOM   606  C CA  . VAL   A 1 70  ? -29.510 -3.408  -15.885 1.00 14.80 ? 76  VAL   B CA  1 
ATOM   607  C C   . VAL   A 1 70  ? -30.183 -2.491  -14.845 1.00 15.44 ? 76  VAL   B C   1 
ATOM   608  O O   . VAL   A 1 70  ? -31.285 -2.834  -14.381 1.00 14.53 ? 76  VAL   B O   1 
ATOM   609  C CB  . VAL   A 1 70  ? -29.658 -4.913  -15.525 1.00 14.26 ? 76  VAL   B CB  1 
ATOM   610  C CG1 . VAL   A 1 70  ? -29.073 -5.817  -16.628 1.00 13.81 ? 76  VAL   B CG1 1 
ATOM   611  C CG2 . VAL   A 1 70  ? -29.052 -5.305  -14.180 1.00 14.50 ? 76  VAL   B CG2 1 
ATOM   612  N N   . THR   A 1 71  ? -29.550 -1.375  -14.484 1.00 15.72 ? 77  THR   B N   1 
ATOM   613  C CA  . THR   A 1 71  ? -30.060 -0.451  -13.439 1.00 16.99 ? 77  THR   B CA  1 
ATOM   614  C C   . THR   A 1 71  ? -31.549 -0.150  -13.670 1.00 18.10 ? 77  THR   B C   1 
ATOM   615  O O   . THR   A 1 71  ? -31.949 0.219   -14.804 1.00 16.83 ? 77  THR   B O   1 
ATOM   616  C CB  . THR   A 1 71  ? -29.250 0.842   -13.414 1.00 17.36 ? 77  THR   B CB  1 
ATOM   617  O OG1 . THR   A 1 71  ? -27.873 0.546   -13.187 1.00 19.37 ? 77  THR   B OG1 1 
ATOM   618  C CG2 . THR   A 1 71  ? -29.818 1.741   -12.343 1.00 19.92 ? 77  THR   B CG2 1 
ATOM   619  N N   . GLN   A 1 72  ? -32.319 -0.349  -12.595 1.00 20.82 ? 78  GLN   B N   1 
ATOM   620  C CA  . GLN   A 1 72  ? -33.742 0.020   -12.363 1.00 24.96 ? 78  GLN   B CA  1 
ATOM   621  C C   . GLN   A 1 72  ? -34.694 -0.809  -13.236 1.00 26.32 ? 78  GLN   B C   1 
ATOM   622  O O   . GLN   A 1 72  ? -35.893 -0.515  -13.237 1.00 27.51 ? 78  GLN   B O   1 
ATOM   623  C CB  . GLN   A 1 72  ? -33.956 1.529   -12.477 1.00 32.61 ? 78  GLN   B CB  1 
ATOM   624  C CG  . GLN   A 1 72  ? -33.815 2.105   -13.877 1.00 37.98 ? 78  GLN   B CG  1 
ATOM   625  C CD  . GLN   A 1 72  ? -34.808 3.208   -14.169 1.00 42.75 ? 78  GLN   B CD  1 
ATOM   626  O OE1 . GLN   A 1 72  ? -34.459 4.269   -14.696 1.00 42.94 ? 78  GLN   B OE1 1 
ATOM   627  N NE2 . GLN   A 1 72  ? -36.074 2.934   -13.888 1.00 46.89 ? 78  GLN   B NE2 1 
ATOM   628  N N   . LYS   A 1 73  ? -34.221 -1.820  -13.954 1.00 17.23 ? 79  LYS   B N   1 
ATOM   629  C CA  . LYS   A 1 73  ? -35.170 -2.691  -14.684 1.00 15.63 ? 79  LYS   B CA  1 
ATOM   630  C C   . LYS   A 1 73  ? -35.831 -3.753  -13.777 1.00 14.13 ? 79  LYS   B C   1 
ATOM   631  O O   . LYS   A 1 73  ? -35.182 -4.265  -12.823 1.00 15.95 ? 79  LYS   B O   1 
ATOM   632  C CB  . LYS   A 1 73  ? -34.423 -3.357  -15.838 1.00 15.64 ? 79  LYS   B CB  1 
ATOM   633  C CG  . LYS   A 1 73  ? -33.930 -2.373  -16.903 1.00 15.43 ? 79  LYS   B CG  1 
ATOM   634  C CD  . LYS   A 1 73  ? -33.479 -3.032  -18.204 1.00 16.20 ? 79  LYS   B CD  1 
ATOM   635  C CE  . LYS   A 1 73  ? -34.552 -3.800  -18.957 1.00 14.48 ? 79  LYS   B CE  1 
ATOM   636  N NZ  . LYS   A 1 73  ? -35.703 -2.930  -19.325 1.00 14.37 ? 79  LYS   B NZ  1 
ATOM   637  N N   . GLU   A 1 74  ? -37.094 -4.065  -14.059 1.00 13.43 ? 80  GLU   B N   1 
ATOM   638  C CA  . GLU   A 1 74  ? -37.933 -5.084  -13.381 1.00 14.56 ? 80  GLU   B CA  1 
ATOM   639  C C   . GLU   A 1 74  ? -37.837 -6.442  -14.077 1.00 14.06 ? 80  GLU   B C   1 
ATOM   640  O O   . GLU   A 1 74  ? -38.196 -7.461  -13.502 1.00 13.64 ? 80  GLU   B O   1 
ATOM   641  C CB  . GLU   A 1 74  ? -39.413 -4.661  -13.408 1.00 15.66 ? 80  GLU   B CB  1 
ATOM   642  C CG  . GLU   A 1 74  ? -39.673 -3.441  -12.578 1.00 17.56 ? 80  GLU   B CG  1 
ATOM   643  C CD  . GLU   A 1 74  ? -41.128 -2.978  -12.689 1.00 17.63 ? 80  GLU   B CD  1 
ATOM   644  O OE1 . GLU   A 1 74  ? -41.514 -2.120  -11.857 1.00 22.05 ? 80  GLU   B OE1 1 
ATOM   645  O OE2 . GLU   A 1 74  ? -41.866 -3.526  -13.582 1.00 22.28 ? 80  GLU   B OE2 1 
ATOM   646  N N   . ALA   A 1 75  ? -37.433 -6.456  -15.340 1.00 13.87 ? 81  ALA   B N   1 
ATOM   647  C CA  . ALA   A 1 75  ? -37.446 -7.710  -16.111 1.00 12.91 ? 81  ALA   B CA  1 
ATOM   648  C C   . ALA   A 1 75  ? -36.440 -7.590  -17.250 1.00 14.11 ? 81  ALA   B C   1 
ATOM   649  O O   . ALA   A 1 75  ? -36.358 -6.537  -17.909 1.00 12.92 ? 81  ALA   B O   1 
ATOM   650  C CB  . ALA   A 1 75  ? -38.819 -8.032  -16.675 1.00 13.97 ? 81  ALA   B CB  1 
ATOM   651  N N   . TRP   A 1 76  ? -35.721 -8.667  -17.515 1.00 12.43 ? 82  TRP   B N   1 
ATOM   652  C CA  . TRP   A 1 76  ? -34.728 -8.731  -18.630 1.00 12.43 ? 82  TRP   B CA  1 
ATOM   653  C C   . TRP   A 1 76  ? -34.246 -10.164 -18.735 1.00 11.99 ? 82  TRP   B C   1 
ATOM   654  O O   . TRP   A 1 76  ? -34.335 -10.902 -17.739 1.00 12.43 ? 82  TRP   B O   1 
ATOM   655  C CB  . TRP   A 1 76  ? -33.559 -7.744  -18.426 1.00 12.64 ? 82  TRP   B CB  1 
ATOM   656  C CG  . TRP   A 1 76  ? -32.883 -7.783  -17.084 1.00 12.12 ? 82  TRP   B CG  1 
ATOM   657  C CD1 . TRP   A 1 76  ? -33.123 -6.936  -16.045 1.00 13.33 ? 82  TRP   B CD1 1 
ATOM   658  C CD2 . TRP   A 1 76  ? -31.922 -8.741  -16.567 1.00 11.97 ? 82  TRP   B CD2 1 
ATOM   659  N NE1 . TRP   A 1 76  ? -32.367 -7.239  -14.959 1.00 13.50 ? 82  TRP   B NE1 1 
ATOM   660  C CE2 . TRP   A 1 76  ? -31.637 -8.375  -15.241 1.00 13.38 ? 82  TRP   B CE2 1 
ATOM   661  C CE3 . TRP   A 1 76  ? -31.294 -9.883  -17.093 1.00 13.55 ? 82  TRP   B CE3 1 
ATOM   662  C CZ2 . TRP   A 1 76  ? -30.753 -9.065  -14.423 1.00 12.86 ? 82  TRP   B CZ2 1 
ATOM   663  C CZ3 . TRP   A 1 76  ? -30.414 -10.576 -16.280 1.00 12.99 ? 82  TRP   B CZ3 1 
ATOM   664  C CH2 . TRP   A 1 76  ? -30.141 -10.163 -14.963 1.00 13.31 ? 82  TRP   B CH2 1 
ATOM   665  N N   . ASP   A 1 77  ? -33.708 -10.522 -19.904 1.00 11.41 ? 83  ASP   B N   1 
ATOM   666  C CA  . ASP   A 1 77  ? -32.948 -11.780 -20.138 1.00 12.16 ? 83  ASP   B CA  1 
ATOM   667  C C   . ASP   A 1 77  ? -31.579 -11.380 -20.703 1.00 12.02 ? 83  ASP   B C   1 
ATOM   668  O O   . ASP   A 1 77  ? -31.559 -10.480 -21.597 1.00 11.66 ? 83  ASP   B O   1 
ATOM   669  C CB  . ASP   A 1 77  ? -33.657 -12.739 -21.100 1.00 13.02 ? 83  ASP   B CB  1 
ATOM   670  C CG  . ASP   A 1 77  ? -35.155 -12.970 -20.925 1.00 15.48 ? 83  ASP   B CG  1 
ATOM   671  O OD1 . ASP   A 1 77  ? -35.616 -12.930 -19.814 1.00 18.62 ? 83  ASP   B OD1 1 
ATOM   672  O OD2 . ASP   A 1 77  ? -35.833 -13.166 -21.947 1.00 17.04 ? 83  ASP   B OD2 1 
ATOM   673  N N   . LEU   A 1 78  ? -30.505 -12.081 -20.310 1.00 11.21 ? 84  LEU   B N   1 
ATOM   674  C CA  . LEU   A 1 78  ? -29.156 -11.837 -20.853 1.00 11.50 ? 84  LEU   B CA  1 
ATOM   675  C C   . LEU   A 1 78  ? -28.449 -13.173 -21.034 1.00 11.12 ? 84  LEU   B C   1 
ATOM   676  O O   . LEU   A 1 78  ? -28.555 -14.048 -20.175 1.00 10.68 ? 84  LEU   B O   1 
ATOM   677  C CB  . LEU   A 1 78  ? -28.311 -10.972 -19.918 1.00 11.86 ? 84  LEU   B CB  1 
ATOM   678  C CG  . LEU   A 1 78  ? -28.714 -9.510  -19.799 1.00 12.92 ? 84  LEU   B CG  1 
ATOM   679  C CD1 . LEU   A 1 78  ? -27.913 -8.870  -18.673 1.00 13.83 ? 84  LEU   B CD1 1 
ATOM   680  C CD2 . LEU   A 1 78  ? -28.446 -8.820  -21.095 1.00 13.33 ? 84  LEU   B CD2 1 
ATOM   681  N N   . GLY   A 1 79  ? -27.604 -13.216 -22.053 1.00 9.91  ? 85  GLY   B N   1 
ATOM   682  C CA  . GLY   A 1 79  ? -26.596 -14.283 -22.170 1.00 10.93 ? 85  GLY   B CA  1 
ATOM   683  C C   . GLY   A 1 79  ? -26.077 -14.362 -23.592 1.00 10.33 ? 85  GLY   B C   1 
ATOM   684  O O   . GLY   A 1 79  ? -25.727 -13.355 -24.165 1.00 10.27 ? 85  GLY   B O   1 
ATOM   685  N N   A VAL   A 1 80  ? -26.021 -15.590 -24.106 0.25 10.36 ? 86  VAL   B N   1 
ATOM   686  N N   B VAL   A 1 80  ? -26.050 -15.568 -24.144 0.25 10.64 ? 86  VAL   B N   1 
ATOM   687  C CA  A VAL   A 1 80  ? -25.591 -15.919 -25.493 0.25 10.71 ? 86  VAL   B CA  1 
ATOM   688  C CA  B VAL   A 1 80  ? -25.525 -15.849 -25.508 0.25 11.19 ? 86  VAL   B CA  1 
ATOM   689  C C   A VAL   A 1 80  ? -26.602 -16.871 -26.124 0.25 11.15 ? 86  VAL   B C   1 
ATOM   690  C C   B VAL   A 1 80  ? -26.409 -16.942 -26.115 0.25 11.43 ? 86  VAL   B C   1 
ATOM   691  O O   A VAL   A 1 80  ? -27.382 -17.553 -25.420 0.25 11.33 ? 86  VAL   B O   1 
ATOM   692  O O   B VAL   A 1 80  ? -26.937 -17.768 -25.355 0.25 11.50 ? 86  VAL   B O   1 
ATOM   693  C CB  A VAL   A 1 80  ? -24.186 -16.547 -25.535 0.25 10.90 ? 86  VAL   B CB  1 
ATOM   694  C CB  B VAL   A 1 80  ? -24.041 -16.262 -25.427 0.25 11.78 ? 86  VAL   B CB  1 
ATOM   695  C CG1 A VAL   A 1 80  ? -23.119 -15.511 -25.267 0.25 10.70 ? 86  VAL   B CG1 1 
ATOM   696  C CG1 B VAL   A 1 80  ? -23.892 -17.663 -24.864 0.25 12.00 ? 86  VAL   B CG1 1 
ATOM   697  C CG2 A VAL   A 1 80  ? -24.049 -17.719 -24.578 0.25 11.13 ? 86  VAL   B CG2 1 
ATOM   698  C CG2 B VAL   A 1 80  ? -23.327 -16.159 -26.762 0.25 12.31 ? 86  VAL   B CG2 1 
ATOM   699  N N   . CYS   A 1 81  ? -26.560 -16.948 -27.441 1.00 10.75 ? 87  CYS   B N   1 
ATOM   700  C CA  . CYS   A 1 81  ? -27.358 -17.937 -28.149 1.00 11.73 ? 87  CYS   B CA  1 
ATOM   701  C C   . CYS   A 1 81  ? -26.686 -18.323 -29.458 1.00 11.83 ? 87  CYS   B C   1 
ATOM   702  O O   . CYS   A 1 81  ? -25.794 -17.605 -29.968 1.00 12.74 ? 87  CYS   B O   1 
ATOM   703  C CB  . CYS   A 1 81  ? -28.756 -17.383 -28.376 1.00 12.73 ? 87  CYS   B CB  1 
ATOM   704  S SG  . CYS   A 1 81  ? -28.861 -16.010 -29.554 1.00 14.17 ? 87  CYS   B SG  1 
ATOM   705  N N   A ARG   A 1 82  ? -27.093 -19.463 -29.986 0.25 12.40 ? 88  ARG   B N   1 
ATOM   706  N N   B ARG   A 1 82  ? -27.096 -19.460 -29.994 0.25 11.73 ? 88  ARG   B N   1 
ATOM   707  C CA  A ARG   A 1 82  ? -26.702 -19.891 -31.351 0.25 13.25 ? 88  ARG   B CA  1 
ATOM   708  C CA  B ARG   A 1 82  ? -26.657 -19.932 -31.333 0.25 12.07 ? 88  ARG   B CA  1 
ATOM   709  C C   A ARG   A 1 82  ? -27.134 -18.831 -32.363 0.25 12.99 ? 88  ARG   B C   1 
ATOM   710  C C   B ARG   A 1 82  ? -27.176 -18.961 -32.410 0.25 12.39 ? 88  ARG   B C   1 
ATOM   711  O O   A ARG   A 1 82  ? -28.194 -18.202 -32.183 0.25 12.98 ? 88  ARG   B O   1 
ATOM   712  O O   B ARG   A 1 82  ? -28.357 -18.525 -32.324 0.25 12.46 ? 88  ARG   B O   1 
ATOM   713  C CB  A ARG   A 1 82  ? -27.360 -21.224 -31.694 0.25 14.01 ? 88  ARG   B CB  1 
ATOM   714  C CB  B ARG   A 1 82  ? -27.153 -21.366 -31.547 0.25 11.83 ? 88  ARG   B CB  1 
ATOM   715  C CG  A ARG   A 1 82  ? -26.796 -22.375 -30.889 0.25 14.79 ? 88  ARG   B CG  1 
ATOM   716  C CG  B ARG   A 1 82  ? -26.453 -22.092 -32.684 0.25 11.67 ? 88  ARG   B CG  1 
ATOM   717  C CD  A ARG   A 1 82  ? -27.490 -23.661 -31.249 0.25 15.82 ? 88  ARG   B CD  1 
ATOM   718  C CD  B ARG   A 1 82  ? -27.003 -23.478 -32.913 0.25 11.70 ? 88  ARG   B CD  1 
ATOM   719  N NE  A ARG   A 1 82  ? -27.104 -24.728 -30.343 0.25 15.56 ? 88  ARG   B NE  1 
ATOM   720  N NE  B ARG   A 1 82  ? -26.864 -24.305 -31.733 0.25 11.87 ? 88  ARG   B NE  1 
ATOM   721  C CZ  A ARG   A 1 82  ? -27.906 -25.720 -30.020 0.25 15.51 ? 88  ARG   B CZ  1 
ATOM   722  C CZ  B ARG   A 1 82  ? -27.879 -24.896 -31.102 0.25 11.44 ? 88  ARG   B CZ  1 
ATOM   723  N NH1 A ARG   A 1 82  ? -29.136 -25.745 -30.498 0.25 14.93 ? 88  ARG   B NH1 1 
ATOM   724  N NH1 B ARG   A 1 82  ? -29.104 -24.786 -31.568 0.25 12.58 ? 88  ARG   B NH1 1 
ATOM   725  N NH2 A ARG   A 1 82  ? -27.485 -26.669 -29.211 0.25 16.62 ? 88  ARG   B NH2 1 
ATOM   726  N NH2 B ARG   A 1 82  ? -27.655 -25.596 -30.005 0.25 11.30 ? 88  ARG   B NH2 1 
ATOM   727  N N   . ASP   A 1 83  ? -26.347 -18.658 -33.417 1.00 13.49 ? 89  ASP   B N   1 
ATOM   728  C CA  . ASP   A 1 83  ? -26.749 -17.754 -34.528 1.00 15.16 ? 89  ASP   B CA  1 
ATOM   729  C C   . ASP   A 1 83  ? -28.041 -18.270 -35.159 1.00 16.76 ? 89  ASP   B C   1 
ATOM   730  O O   . ASP   A 1 83  ? -28.818 -17.452 -35.716 1.00 19.70 ? 89  ASP   B O   1 
ATOM   731  C CB  . ASP   A 1 83  ? -25.616 -17.664 -35.545 1.00 18.20 ? 89  ASP   B CB  1 
ATOM   732  C CG  . ASP   A 1 83  ? -25.225 -18.946 -36.246 1.00 20.57 ? 89  ASP   B CG  1 
ATOM   733  O OD1 . ASP   A 1 83  ? -25.701 -20.063 -35.874 1.00 23.79 ? 89  ASP   B OD1 1 
ATOM   734  O OD2 . ASP   A 1 83  ? -24.429 -18.814 -37.200 1.00 24.66 ? 89  ASP   B OD2 1 
ATOM   735  N N   . SER   A 1 84  ? -28.321 -19.572 -35.102 1.00 15.56 ? 90  SER   B N   1 
ATOM   736  C CA  . SER   A 1 84  ? -29.470 -20.194 -35.803 1.00 17.65 ? 90  SER   B CA  1 
ATOM   737  C C   . SER   A 1 84  ? -30.720 -20.340 -34.926 1.00 16.16 ? 90  SER   B C   1 
ATOM   738  O O   . SER   A 1 84  ? -31.633 -21.058 -35.353 1.00 17.11 ? 90  SER   B O   1 
ATOM   739  C CB  . SER   A 1 84  ? -29.059 -21.527 -36.397 1.00 19.18 ? 90  SER   B CB  1 
ATOM   740  O OG  . SER   A 1 84  ? -28.524 -22.349 -35.413 1.00 19.21 ? 90  SER   B OG  1 
ATOM   741  N N   . VAL   A 1 85  ? -30.801 -19.696 -33.757 1.00 15.39 ? 91  VAL   B N   1 
ATOM   742  C CA  . VAL   A 1 85  ? -32.038 -19.754 -32.941 1.00 15.70 ? 91  VAL   B CA  1 
ATOM   743  C C   . VAL   A 1 85  ? -33.244 -19.282 -33.769 1.00 15.20 ? 91  VAL   B C   1 
ATOM   744  O O   . VAL   A 1 85  ? -33.117 -18.366 -34.629 1.00 15.73 ? 91  VAL   B O   1 
ATOM   745  C CB  . VAL   A 1 85  ? -31.948 -19.005 -31.594 1.00 14.00 ? 91  VAL   B CB  1 
ATOM   746  C CG1 . VAL   A 1 85  ? -30.930 -19.661 -30.673 1.00 14.10 ? 91  VAL   B CG1 1 
ATOM   747  C CG2 . VAL   A 1 85  ? -31.712 -17.515 -31.723 1.00 13.50 ? 91  VAL   B CG2 1 
ATOM   748  N N   . GLN   A 1 86  ? -34.373 -19.906 -33.461 1.00 16.22 ? 92  GLN   B N   1 
ATOM   749  C CA  . GLN   A 1 86  ? -35.715 -19.512 -33.974 1.00 18.71 ? 92  GLN   B CA  1 
ATOM   750  C C   . GLN   A 1 86  ? -35.959 -18.028 -33.667 1.00 17.05 ? 92  GLN   B C   1 
ATOM   751  O O   . GLN   A 1 86  ? -35.712 -17.603 -32.533 1.00 17.41 ? 92  GLN   B O   1 
ATOM   752  C CB  . GLN   A 1 86  ? -36.732 -20.448 -33.315 1.00 21.22 ? 92  GLN   B CB  1 
ATOM   753  C CG  . GLN   A 1 86  ? -38.201 -20.065 -33.475 1.00 24.56 ? 92  GLN   B CG  1 
ATOM   754  C CD  . GLN   A 1 86  ? -39.112 -20.916 -32.608 1.00 26.27 ? 92  GLN   B CD  1 
ATOM   755  O OE1 . GLN   A 1 86  ? -38.685 -21.892 -31.958 1.00 29.88 ? 92  GLN   B OE1 1 
ATOM   756  N NE2 . GLN   A 1 86  ? -40.402 -20.559 -32.572 1.00 27.04 ? 92  GLN   B NE2 1 
ATOM   757  N N   . ARG   A 1 87  ? -36.515 -17.283 -34.617 1.00 16.15 ? 93  ARG   B N   1 
ATOM   758  C CA  . ARG   A 1 87  ? -36.802 -15.829 -34.474 1.00 14.97 ? 93  ARG   B CA  1 
ATOM   759  C C   . ARG   A 1 87  ? -38.309 -15.590 -34.354 1.00 16.13 ? 93  ARG   B C   1 
ATOM   760  O O   . ARG   A 1 87  ? -38.662 -14.572 -33.725 1.00 15.67 ? 93  ARG   B O   1 
ATOM   761  C CB  . ARG   A 1 87  ? -36.266 -15.001 -35.644 1.00 16.08 ? 93  ARG   B CB  1 
ATOM   762  C CG  . ARG   A 1 87  ? -34.786 -15.202 -35.954 1.00 15.66 ? 93  ARG   B CG  1 
ATOM   763  C CD  . ARG   A 1 87  ? -33.878 -15.023 -34.730 1.00 16.49 ? 93  ARG   B CD  1 
ATOM   764  N NE  . ARG   A 1 87  ? -32.500 -15.439 -35.052 1.00 17.20 ? 93  ARG   B NE  1 
ATOM   765  C CZ  . ARG   A 1 87  ? -31.580 -14.695 -35.656 1.00 17.49 ? 93  ARG   B CZ  1 
ATOM   766  N NH1 . ARG   A 1 87  ? -31.833 -13.458 -36.037 1.00 18.98 ? 93  ARG   B NH1 1 
ATOM   767  N NH2 . ARG   A 1 87  ? -30.416 -15.225 -35.964 1.00 18.84 ? 93  ARG   B NH2 1 
ATOM   768  N N   . LYS   A 1 88  ? -39.155 -16.437 -34.960 1.00 16.56 ? 94  LYS   B N   1 
ATOM   769  C CA  . LYS   A 1 88  ? -40.612 -16.167 -35.068 1.00 16.99 ? 94  LYS   B CA  1 
ATOM   770  C C   . LYS   A 1 88  ? -41.414 -17.096 -34.165 1.00 18.94 ? 94  LYS   B C   1 
ATOM   771  O O   . LYS   A 1 88  ? -40.992 -18.269 -33.990 1.00 21.37 ? 94  LYS   B O   1 
ATOM   772  C CB  . LYS   A 1 88  ? -41.085 -16.357 -36.517 1.00 18.37 ? 94  LYS   B CB  1 
ATOM   773  C CG  . LYS   A 1 88  ? -40.259 -15.629 -37.561 1.00 19.67 ? 94  LYS   B CG  1 
ATOM   774  C CD  . LYS   A 1 88  ? -40.136 -14.126 -37.307 1.00 20.15 ? 94  LYS   B CD  1 
ATOM   775  C CE  . LYS   A 1 88  ? -39.434 -13.447 -38.455 1.00 20.48 ? 94  LYS   B CE  1 
ATOM   776  N NZ  . LYS   A 1 88  ? -39.245 -12.004 -38.204 1.00 21.52 ? 94  LYS   B NZ  1 
ATOM   777  N N   . GLY   A 1 89  ? -42.495 -16.592 -33.570 1.00 18.02 ? 95  GLY   B N   1 
ATOM   778  C CA  . GLY   A 1 89  ? -43.371 -17.426 -32.743 1.00 19.24 ? 95  GLY   B CA  1 
ATOM   779  C C   . GLY   A 1 89  ? -42.892 -17.575 -31.315 1.00 19.42 ? 95  GLY   B C   1 
ATOM   780  O O   . GLY   A 1 89  ? -41.950 -16.820 -30.899 1.00 19.64 ? 95  GLY   B O   1 
ATOM   781  N N   . GLN   A 1 90  ? -43.574 -18.434 -30.567 1.00 19.35 ? 96  GLN   B N   1 
ATOM   782  C CA  . GLN   A 1 90  ? -43.305 -18.647 -29.133 1.00 21.38 ? 96  GLN   B CA  1 
ATOM   783  C C   . GLN   A 1 90  ? -42.218 -19.702 -28.981 1.00 19.37 ? 96  GLN   B C   1 
ATOM   784  O O   . GLN   A 1 90  ? -42.121 -20.611 -29.841 1.00 20.23 ? 96  GLN   B O   1 
ATOM   785  C CB  . GLN   A 1 90  ? -44.570 -19.089 -28.391 1.00 25.20 ? 96  GLN   B CB  1 
ATOM   786  C CG  . GLN   A 1 90  ? -45.703 -18.086 -28.491 1.00 30.09 ? 96  GLN   B CG  1 
ATOM   787  C CD  . GLN   A 1 90  ? -46.998 -18.782 -28.170 1.00 41.28 ? 96  GLN   B CD  1 
ATOM   788  O OE1 . GLN   A 1 90  ? -47.187 -19.266 -27.050 1.00 47.44 ? 96  GLN   B OE1 1 
ATOM   789  N NE2 . GLN   A 1 90  ? -47.875 -18.877 -29.161 1.00 43.50 ? 96  GLN   B NE2 1 
ATOM   790  N N   . PHE   A 1 91  ? -41.371 -19.537 -27.973 1.00 16.88 ? 97  PHE   B N   1 
ATOM   791  C CA  . PHE   A 1 91  ? -40.303 -20.504 -27.634 1.00 17.85 ? 97  PHE   B CA  1 
ATOM   792  C C   . PHE   A 1 91  ? -39.794 -20.227 -26.228 1.00 17.82 ? 97  PHE   B C   1 
ATOM   793  O O   . PHE   A 1 91  ? -39.960 -19.127 -25.688 1.00 18.12 ? 97  PHE   B O   1 
ATOM   794  C CB  . PHE   A 1 91  ? -39.142 -20.413 -28.629 1.00 17.53 ? 97  PHE   B CB  1 
ATOM   795  C CG  . PHE   A 1 91  ? -38.493 -19.063 -28.719 1.00 16.74 ? 97  PHE   B CG  1 
ATOM   796  C CD1 . PHE   A 1 91  ? -37.497 -18.673 -27.845 1.00 17.46 ? 97  PHE   B CD1 1 
ATOM   797  C CD2 . PHE   A 1 91  ? -38.830 -18.198 -29.743 1.00 16.31 ? 97  PHE   B CD2 1 
ATOM   798  C CE1 . PHE   A 1 91  ? -36.890 -17.429 -27.976 1.00 15.38 ? 97  PHE   B CE1 1 
ATOM   799  C CE2 . PHE   A 1 91  ? -38.194 -16.981 -29.900 1.00 15.97 ? 97  PHE   B CE2 1 
ATOM   800  C CZ  . PHE   A 1 91  ? -37.231 -16.596 -29.016 1.00 16.27 ? 97  PHE   B CZ  1 
ATOM   801  N N   A SER   A 1 92  ? -39.199 -21.239 -25.600 0.25 18.33 ? 98  SER   B N   1 
ATOM   802  N N   B SER   A 1 92  ? -39.180 -21.248 -25.634 0.25 17.55 ? 98  SER   B N   1 
ATOM   803  C CA  A SER   A 1 92  ? -38.590 -21.113 -24.254 0.25 18.91 ? 98  SER   B CA  1 
ATOM   804  C CA  B SER   A 1 92  ? -38.554 -21.183 -24.293 0.25 17.61 ? 98  SER   B CA  1 
ATOM   805  C C   A SER   A 1 92  ? -37.079 -20.912 -24.395 0.25 17.47 ? 98  SER   B C   1 
ATOM   806  C C   B SER   A 1 92  ? -37.063 -20.875 -24.440 0.25 16.76 ? 98  SER   B C   1 
ATOM   807  O O   A SER   A 1 92  ? -36.483 -21.453 -25.353 0.25 17.01 ? 98  SER   B O   1 
ATOM   808  O O   B SER   A 1 92  ? -36.463 -21.297 -25.460 0.25 16.35 ? 98  SER   B O   1 
ATOM   809  C CB  A SER   A 1 92  ? -38.903 -22.301 -23.391 0.25 21.28 ? 98  SER   B CB  1 
ATOM   810  C CB  B SER   A 1 92  ? -38.779 -22.461 -23.538 0.25 18.84 ? 98  SER   B CB  1 
ATOM   811  O OG  A SER   A 1 92  ? -38.806 -23.494 -24.147 0.25 22.92 ? 98  SER   B OG  1 
ATOM   812  O OG  B SER   A 1 92  ? -40.156 -22.597 -23.218 0.25 18.67 ? 98  SER   B OG  1 
ATOM   813  N N   . LEU   A 1 93  ? -36.496 -20.150 -23.473 1.00 16.23 ? 99  LEU   B N   1 
ATOM   814  C CA  . LEU   A 1 93  ? -35.040 -19.955 -23.408 1.00 15.67 ? 99  LEU   B CA  1 
ATOM   815  C C   . LEU   A 1 93  ? -34.450 -21.178 -22.717 1.00 15.85 ? 99  LEU   B C   1 
ATOM   816  O O   . LEU   A 1 93  ? -34.547 -21.310 -21.503 1.00 17.75 ? 99  LEU   B O   1 
ATOM   817  C CB  . LEU   A 1 93  ? -34.687 -18.670 -22.659 1.00 16.17 ? 99  LEU   B CB  1 
ATOM   818  C CG  . LEU   A 1 93  ? -35.187 -17.369 -23.263 1.00 16.97 ? 99  LEU   B CG  1 
ATOM   819  C CD1 . LEU   A 1 93  ? -34.810 -16.179 -22.380 1.00 18.01 ? 99  LEU   B CD1 1 
ATOM   820  C CD2 . LEU   A 1 93  ? -34.651 -17.158 -24.671 1.00 17.27 ? 99  LEU   B CD2 1 
ATOM   821  N N   . SER   A 1 94  ? -33.783 -22.057 -23.450 1.00 15.49 ? 100 SER   B N   1 
ATOM   822  C CA  . SER   A 1 94  ? -33.185 -23.286 -22.889 1.00 15.17 ? 100 SER   B CA  1 
ATOM   823  C C   . SER   A 1 94  ? -32.000 -23.676 -23.749 1.00 13.05 ? 100 SER   B C   1 
ATOM   824  O O   . SER   A 1 94  ? -31.969 -23.293 -24.919 1.00 13.46 ? 100 SER   B O   1 
ATOM   825  C CB  . SER   A 1 94  ? -34.140 -24.456 -22.865 1.00 16.23 ? 100 SER   B CB  1 
ATOM   826  O OG  . SER   A 1 94  ? -34.511 -24.812 -24.184 1.00 19.35 ? 100 SER   B OG  1 
ATOM   827  N N   . PRO   A 1 95  ? -31.037 -24.416 -23.205 1.00 13.10 ? 101 PRO   B N   1 
ATOM   828  C CA  . PRO   A 1 95  ? -29.927 -24.901 -24.018 1.00 14.10 ? 101 PRO   B CA  1 
ATOM   829  C C   . PRO   A 1 95  ? -30.423 -25.773 -25.179 1.00 14.23 ? 101 PRO   B C   1 
ATOM   830  O O   . PRO   A 1 95  ? -29.827 -25.708 -26.286 1.00 13.83 ? 101 PRO   B O   1 
ATOM   831  C CB  . PRO   A 1 95  ? -29.053 -25.667 -23.022 1.00 15.37 ? 101 PRO   B CB  1 
ATOM   832  C CG  . PRO   A 1 95  ? -29.314 -24.913 -21.716 1.00 15.36 ? 101 PRO   B CG  1 
ATOM   833  C CD  . PRO   A 1 95  ? -30.814 -24.668 -21.774 1.00 15.03 ? 101 PRO   B CD  1 
ATOM   834  N N   . GLU   A 1 96  ? -31.497 -26.532 -24.966 1.00 15.80 ? 102 GLU   B N   1 
ATOM   835  C CA  . GLU   A 1 96  ? -32.066 -27.388 -26.054 1.00 19.59 ? 102 GLU   B CA  1 
ATOM   836  C C   . GLU   A 1 96  ? -32.474 -26.509 -27.244 1.00 19.33 ? 102 GLU   B C   1 
ATOM   837  O O   . GLU   A 1 96  ? -32.310 -26.927 -28.429 1.00 19.85 ? 102 GLU   B O   1 
ATOM   838  C CB  . GLU   A 1 96  ? -33.238 -28.219 -25.525 1.00 24.40 ? 102 GLU   B CB  1 
ATOM   839  C CG  . GLU   A 1 96  ? -32.845 -29.031 -24.316 1.00 32.49 ? 102 GLU   B CG  1 
ATOM   840  C CD  . GLU   A 1 96  ? -33.289 -28.443 -22.981 1.00 39.10 ? 102 GLU   B CD  1 
ATOM   841  O OE1 . GLU   A 1 96  ? -32.459 -27.705 -22.321 1.00 27.34 ? 102 GLU   B OE1 1 
ATOM   842  O OE2 . GLU   A 1 96  ? -34.462 -28.777 -22.578 1.00 44.88 ? 102 GLU   B OE2 1 
ATOM   843  N N   . ASN   A 1 97  ? -32.957 -25.286 -26.998 1.00 16.94 ? 103 ASN   B N   1 
ATOM   844  C CA  . ASN   A 1 97  ? -33.347 -24.337 -28.072 1.00 16.07 ? 103 ASN   B CA  1 
ATOM   845  C C   . ASN   A 1 97  ? -32.193 -23.420 -28.477 1.00 15.24 ? 103 ASN   B C   1 
ATOM   846  O O   . ASN   A 1 97  ? -32.416 -22.572 -29.338 1.00 16.38 ? 103 ASN   B O   1 
ATOM   847  C CB  . ASN   A 1 97  ? -34.551 -23.479 -27.650 1.00 16.34 ? 103 ASN   B CB  1 
ATOM   848  C CG  . ASN   A 1 97  ? -35.832 -24.286 -27.593 1.00 19.99 ? 103 ASN   B CG  1 
ATOM   849  O OD1 . ASN   A 1 97  ? -35.937 -25.330 -28.259 1.00 20.65 ? 103 ASN   B OD1 1 
ATOM   850  N ND2 . ASN   A 1 97  ? -36.826 -23.810 -26.848 1.00 20.85 ? 103 ASN   B ND2 1 
ATOM   851  N N   . GLY   A 1 98  ? -30.984 -23.622 -27.959 1.00 14.09 ? 104 GLY   B N   1 
ATOM   852  C CA  . GLY   A 1 98  ? -29.819 -22.824 -28.378 1.00 13.01 ? 104 GLY   B CA  1 
ATOM   853  C C   . GLY   A 1 98  ? -29.577 -21.553 -27.565 1.00 12.76 ? 104 GLY   B C   1 
ATOM   854  O O   . GLY   A 1 98  ? -28.878 -20.681 -28.079 1.00 12.62 ? 104 GLY   B O   1 
ATOM   855  N N   . PHE   A 1 99  ? -30.053 -21.458 -26.316 1.00 13.46 ? 105 PHE   B N   1 
ATOM   856  C CA  . PHE   A 1 99  ? -29.830 -20.261 -25.454 1.00 12.52 ? 105 PHE   B CA  1 
ATOM   857  C C   . PHE   A 1 99  ? -29.175 -20.644 -24.122 1.00 11.85 ? 105 PHE   B C   1 
ATOM   858  O O   . PHE   A 1 99  ? -29.585 -21.654 -23.487 1.00 12.93 ? 105 PHE   B O   1 
ATOM   859  C CB  . PHE   A 1 99  ? -31.160 -19.585 -25.077 1.00 11.97 ? 105 PHE   B CB  1 
ATOM   860  C CG  . PHE   A 1 99  ? -31.964 -19.103 -26.271 1.00 11.13 ? 105 PHE   B CG  1 
ATOM   861  C CD1 . PHE   A 1 99  ? -32.861 -19.956 -26.893 1.00 11.71 ? 105 PHE   B CD1 1 
ATOM   862  C CD2 . PHE   A 1 99  ? -31.849 -17.797 -26.735 1.00 11.93 ? 105 PHE   B CD2 1 
ATOM   863  C CE1 . PHE   A 1 99  ? -33.572 -19.542 -28.007 1.00 12.91 ? 105 PHE   B CE1 1 
ATOM   864  C CE2 . PHE   A 1 99  ? -32.607 -17.363 -27.807 1.00 12.75 ? 105 PHE   B CE2 1 
ATOM   865  C CZ  . PHE   A 1 99  ? -33.464 -18.238 -28.430 1.00 12.02 ? 105 PHE   B CZ  1 
ATOM   866  N N   . TRP   A 1 100 ? -28.230 -19.823 -23.680 1.00 10.68 ? 106 TRP   B N   1 
ATOM   867  C CA  . TRP   A 1 100 ? -27.518 -19.914 -22.371 1.00 10.65 ? 106 TRP   B CA  1 
ATOM   868  C C   . TRP   A 1 100 ? -27.689 -18.560 -21.683 1.00 10.06 ? 106 TRP   B C   1 
ATOM   869  O O   . TRP   A 1 100 ? -26.955 -17.591 -22.020 1.00 10.62 ? 106 TRP   B O   1 
ATOM   870  C CB  . TRP   A 1 100 ? -26.050 -20.358 -22.546 1.00 10.84 ? 106 TRP   B CB  1 
ATOM   871  C CG  . TRP   A 1 100 ? -25.975 -21.737 -23.149 1.00 11.75 ? 106 TRP   B CG  1 
ATOM   872  C CD1 . TRP   A 1 100 ? -25.877 -22.937 -22.492 1.00 12.60 ? 106 TRP   B CD1 1 
ATOM   873  C CD2 . TRP   A 1 100 ? -26.012 -22.052 -24.560 1.00 11.73 ? 106 TRP   B CD2 1 
ATOM   874  N NE1 . TRP   A 1 100 ? -25.885 -23.976 -23.410 1.00 12.68 ? 106 TRP   B NE1 1 
ATOM   875  C CE2 . TRP   A 1 100 ? -25.949 -23.449 -24.668 1.00 12.84 ? 106 TRP   B CE2 1 
ATOM   876  C CE3 . TRP   A 1 100 ? -26.087 -21.277 -25.722 1.00 12.02 ? 106 TRP   B CE3 1 
ATOM   877  C CZ2 . TRP   A 1 100 ? -25.985 -24.089 -25.920 1.00 13.84 ? 106 TRP   B CZ2 1 
ATOM   878  C CZ3 . TRP   A 1 100 ? -26.081 -21.915 -26.945 1.00 13.53 ? 106 TRP   B CZ3 1 
ATOM   879  C CH2 . TRP   A 1 100 ? -26.065 -23.292 -27.034 1.00 13.21 ? 106 TRP   B CH2 1 
ATOM   880  N N   . THR   A 1 101 ? -28.710 -18.472 -20.811 1.00 10.88 ? 107 THR   B N   1 
ATOM   881  C CA  . THR   A 1 101 ? -29.221 -17.164 -20.352 1.00 10.49 ? 107 THR   B CA  1 
ATOM   882  C C   . THR   A 1 101 ? -29.540 -17.208 -18.854 1.00 10.43 ? 107 THR   B C   1 
ATOM   883  O O   . THR   A 1 101 ? -29.805 -18.280 -18.323 1.00 10.80 ? 107 THR   B O   1 
ATOM   884  C CB  . THR   A 1 101 ? -30.479 -16.741 -21.111 1.00 11.48 ? 107 THR   B CB  1 
ATOM   885  O OG1 . THR   A 1 101 ? -31.537 -17.670 -20.888 1.00 11.63 ? 107 THR   B OG1 1 
ATOM   886  C CG2 . THR   A 1 101 ? -30.181 -16.589 -22.589 1.00 11.18 ? 107 THR   B CG2 1 
ATOM   887  N N   . ILE   A 1 102 ? -29.605 -16.016 -18.273 1.00 10.85 ? 108 ILE   B N   1 
ATOM   888  C CA  . ILE   A 1 102 ? -30.234 -15.794 -16.941 1.00 10.70 ? 108 ILE   B CA  1 
ATOM   889  C C   . ILE   A 1 102 ? -31.257 -14.670 -17.132 1.00 11.64 ? 108 ILE   B C   1 
ATOM   890  O O   . ILE   A 1 102 ? -31.191 -13.938 -18.144 1.00 10.78 ? 108 ILE   B O   1 
ATOM   891  C CB  . ILE   A 1 102 ? -29.218 -15.486 -15.831 1.00 11.88 ? 108 ILE   B CB  1 
ATOM   892  C CG1 . ILE   A 1 102 ? -28.573 -14.117 -15.999 1.00 12.43 ? 108 ILE   B CG1 1 
ATOM   893  C CG2 . ILE   A 1 102 ? -28.178 -16.585 -15.710 1.00 12.34 ? 108 ILE   B CG2 1 
ATOM   894  C CD1 . ILE   A 1 102 ? -27.701 -13.683 -14.845 1.00 12.35 ? 108 ILE   B CD1 1 
ATOM   895  N N   . TRP   A 1 103 ? -32.111 -14.528 -16.140 1.00 11.99 ? 109 TRP   B N   1 
ATOM   896  C CA  . TRP   A 1 103 ? -33.122 -13.456 -16.178 1.00 12.20 ? 109 TRP   B CA  1 
ATOM   897  C C   . TRP   A 1 103 ? -33.547 -12.994 -14.807 1.00 12.98 ? 109 TRP   B C   1 
ATOM   898  O O   . TRP   A 1 103 ? -33.403 -13.704 -13.817 1.00 12.24 ? 109 TRP   B O   1 
ATOM   899  C CB  . TRP   A 1 103 ? -34.306 -13.865 -16.993 1.00 14.18 ? 109 TRP   B CB  1 
ATOM   900  C CG  . TRP   A 1 103 ? -35.093 -15.032 -16.511 1.00 16.22 ? 109 TRP   B CG  1 
ATOM   901  C CD1 . TRP   A 1 103 ? -36.018 -15.043 -15.504 1.00 16.41 ? 109 TRP   B CD1 1 
ATOM   902  C CD2 . TRP   A 1 103 ? -35.194 -16.281 -17.181 1.00 17.47 ? 109 TRP   B CD2 1 
ATOM   903  N NE1 . TRP   A 1 103 ? -36.638 -16.253 -15.451 1.00 19.91 ? 109 TRP   B NE1 1 
ATOM   904  C CE2 . TRP   A 1 103 ? -36.169 -17.026 -16.476 1.00 17.13 ? 109 TRP   B CE2 1 
ATOM   905  C CE3 . TRP   A 1 103 ? -34.547 -16.828 -18.290 1.00 18.33 ? 109 TRP   B CE3 1 
ATOM   906  C CZ2 . TRP   A 1 103 ? -36.503 -18.321 -16.857 1.00 20.43 ? 109 TRP   B CZ2 1 
ATOM   907  C CZ3 . TRP   A 1 103 ? -34.899 -18.099 -18.667 1.00 18.90 ? 109 TRP   B CZ3 1 
ATOM   908  C CH2 . TRP   A 1 103 ? -35.837 -18.836 -17.943 1.00 18.13 ? 109 TRP   B CH2 1 
ATOM   909  N N   . LEU   A 1 104 ? -34.161 -11.799 -14.824 1.00 12.67 ? 110 LEU   B N   1 
ATOM   910  C CA  . LEU   A 1 104 ? -34.961 -11.281 -13.703 1.00 11.97 ? 110 LEU   B CA  1 
ATOM   911  C C   . LEU   A 1 104 ? -36.431 -11.264 -14.130 1.00 12.17 ? 110 LEU   B C   1 
ATOM   912  O O   . LEU   A 1 104 ? -36.747 -10.781 -15.236 1.00 12.51 ? 110 LEU   B O   1 
ATOM   913  C CB  . LEU   A 1 104 ? -34.505 -9.858  -13.380 1.00 12.57 ? 110 LEU   B CB  1 
ATOM   914  C CG  . LEU   A 1 104 ? -35.354 -9.076  -12.386 1.00 12.68 ? 110 LEU   B CG  1 
ATOM   915  C CD1 . LEU   A 1 104 ? -35.355 -9.770  -11.016 1.00 13.24 ? 110 LEU   B CD1 1 
ATOM   916  C CD2 . LEU   A 1 104 ? -34.860 -7.657  -12.287 1.00 13.79 ? 110 LEU   B CD2 1 
ATOM   917  N N   . TRP   A 1 105 ? -37.312 -11.721 -13.241 1.00 13.43 ? 111 TRP   B N   1 
ATOM   918  C CA  . TRP   A 1 105 ? -38.762 -11.796 -13.518 1.00 14.64 ? 111 TRP   B CA  1 
ATOM   919  C C   . TRP   A 1 105 ? -39.483 -11.807 -12.174 1.00 16.45 ? 111 TRP   B C   1 
ATOM   920  O O   . TRP   A 1 105 ? -39.160 -12.701 -11.358 1.00 15.11 ? 111 TRP   B O   1 
ATOM   921  C CB  . TRP   A 1 105 ? -39.085 -13.066 -14.311 1.00 18.96 ? 111 TRP   B CB  1 
ATOM   922  C CG  . TRP   A 1 105 ? -40.538 -13.298 -14.492 1.00 22.47 ? 111 TRP   B CG  1 
ATOM   923  C CD1 . TRP   A 1 105 ? -41.321 -14.243 -13.888 1.00 24.17 ? 111 TRP   B CD1 1 
ATOM   924  C CD2 . TRP   A 1 105 ? -41.400 -12.516 -15.318 1.00 27.17 ? 111 TRP   B CD2 1 
ATOM   925  N NE1 . TRP   A 1 105 ? -42.612 -14.099 -14.294 1.00 24.66 ? 111 TRP   B NE1 1 
ATOM   926  C CE2 . TRP   A 1 105 ? -42.690 -13.055 -15.172 1.00 25.49 ? 111 TRP   B CE2 1 
ATOM   927  C CE3 . TRP   A 1 105 ? -41.203 -11.406 -16.135 1.00 27.62 ? 111 TRP   B CE3 1 
ATOM   928  C CZ2 . TRP   A 1 105 ? -43.788 -12.536 -15.847 1.00 30.53 ? 111 TRP   B CZ2 1 
ATOM   929  C CZ3 . TRP   A 1 105 ? -42.285 -10.873 -16.786 1.00 32.13 ? 111 TRP   B CZ3 1 
ATOM   930  C CH2 . TRP   A 1 105 ? -43.559 -11.432 -16.639 1.00 31.57 ? 111 TRP   B CH2 1 
ATOM   931  N N   . GLN   A 1 106 ? -40.337 -10.802 -11.913 1.00 15.16 ? 112 GLN   B N   1 
ATOM   932  C CA  . GLN   A 1 106 ? -41.167 -10.789 -10.671 1.00 16.16 ? 112 GLN   B CA  1 
ATOM   933  C C   . GLN   A 1 106 ? -40.299 -10.982 -9.447  1.00 15.47 ? 112 GLN   B C   1 
ATOM   934  O O   . GLN   A 1 106 ? -40.634 -11.852 -8.551  1.00 17.86 ? 112 GLN   B O   1 
ATOM   935  C CB  . GLN   A 1 106 ? -42.287 -11.827 -10.799 1.00 17.99 ? 112 GLN   B CB  1 
ATOM   936  C CG  . GLN   A 1 106 ? -43.225 -11.495 -11.952 1.00 18.81 ? 112 GLN   B CG  1 
ATOM   937  C CD  . GLN   A 1 106 ? -44.527 -12.248 -11.975 1.00 22.10 ? 112 GLN   B CD  1 
ATOM   938  O OE1 . GLN   A 1 106 ? -45.439 -11.930 -12.767 1.00 23.21 ? 112 GLN   B OE1 1 
ATOM   939  N NE2 . GLN   A 1 106 ? -44.617 -13.260 -11.143 1.00 19.57 ? 112 GLN   B NE2 1 
ATOM   940  N N   . ASP   A 1 107 ? -39.254 -10.185 -9.332  1.00 16.24 ? 113 ASP   B N   1 
ATOM   941  C CA  . ASP   A 1 107 ? -38.428 -10.090 -8.122  1.00 21.20 ? 113 ASP   B CA  1 
ATOM   942  C C   . ASP   A 1 107 ? -37.625 -11.367 -7.854  1.00 21.28 ? 113 ASP   B C   1 
ATOM   943  O O   . ASP   A 1 107 ? -37.063 -11.460 -6.745  1.00 27.99 ? 113 ASP   B O   1 
ATOM   944  C CB  . ASP   A 1 107 ? -39.367 -9.884  -6.938  1.00 25.49 ? 113 ASP   B CB  1 
ATOM   945  C CG  . ASP   A 1 107 ? -38.783 -9.105  -5.802  1.00 34.16 ? 113 ASP   B CG  1 
ATOM   946  O OD1 . ASP   A 1 107 ? -37.819 -8.328  -6.036  1.00 38.47 ? 113 ASP   B OD1 1 
ATOM   947  O OD2 . ASP   A 1 107 ? -39.354 -9.257  -4.687  1.00 43.69 ? 113 ASP   B OD2 1 
ATOM   948  N N   . SER   A 1 108 ? -37.548 -12.300 -8.794  1.00 18.12 ? 114 SER   B N   1 
ATOM   949  C CA  . SER   A 1 108 ? -36.639 -13.468 -8.658  1.00 17.96 ? 114 SER   B CA  1 
ATOM   950  C C   . SER   A 1 108 ? -35.678 -13.553 -9.856  1.00 16.86 ? 114 SER   B C   1 
ATOM   951  O O   . SER   A 1 108 ? -36.049 -13.194 -11.005 1.00 15.42 ? 114 SER   B O   1 
ATOM   952  C CB  . SER   A 1 108 ? -37.410 -14.717 -8.379  1.00 23.20 ? 114 SER   B CB  1 
ATOM   953  O OG  . SER   A 1 108 ? -38.066 -15.200 -9.517  1.00 31.79 ? 114 SER   B OG  1 
ATOM   954  N N   . TYR   A 1 109 ? -34.474 -14.026 -9.576  1.00 14.47 ? 115 TYR   B N   1 
ATOM   955  C CA  . TYR   A 1 109 ? -33.445 -14.289 -10.620 1.00 14.07 ? 115 TYR   B CA  1 
ATOM   956  C C   . TYR   A 1 109 ? -33.421 -15.782 -10.888 1.00 13.29 ? 115 TYR   B C   1 
ATOM   957  O O   . TYR   A 1 109 ? -33.461 -16.571 -9.934  1.00 13.53 ? 115 TYR   B O   1 
ATOM   958  C CB  . TYR   A 1 109 ? -32.098 -13.736 -10.173 1.00 13.49 ? 115 TYR   B CB  1 
ATOM   959  C CG  . TYR   A 1 109 ? -32.075 -12.237 -9.967  1.00 14.34 ? 115 TYR   B CG  1 
ATOM   960  C CD1 . TYR   A 1 109 ? -32.294 -11.695 -8.715  1.00 15.59 ? 115 TYR   B CD1 1 
ATOM   961  C CD2 . TYR   A 1 109 ? -31.709 -11.368 -10.981 1.00 13.53 ? 115 TYR   B CD2 1 
ATOM   962  C CE1 . TYR   A 1 109 ? -32.224 -10.333 -8.485  1.00 15.95 ? 115 TYR   B CE1 1 
ATOM   963  C CE2 . TYR   A 1 109 ? -31.643 -9.998  -10.759 1.00 14.22 ? 115 TYR   B CE2 1 
ATOM   964  C CZ  . TYR   A 1 109 ? -31.912 -9.468  -9.511  1.00 15.60 ? 115 TYR   B CZ  1 
ATOM   965  O OH  . TYR   A 1 109 ? -31.886 -8.100  -9.261  1.00 16.47 ? 115 TYR   B OH  1 
ATOM   966  N N   A GLU   A 1 110 ? -33.338 -16.178 -12.166 0.25 13.79 ? 116 GLU   B N   1 
ATOM   967  N N   B GLU   A 1 110 ? -33.382 -16.167 -12.173 0.25 13.62 ? 116 GLU   B N   1 
ATOM   968  C CA  A GLU   A 1 110 ? -33.344 -17.610 -12.566 0.25 14.43 ? 116 GLU   B CA  1 
ATOM   969  C CA  B GLU   A 1 110 ? -33.404 -17.584 -12.630 0.25 14.11 ? 116 GLU   B CA  1 
ATOM   970  C C   A GLU   A 1 110 ? -32.428 -17.845 -13.767 0.25 13.35 ? 116 GLU   B C   1 
ATOM   971  C C   B GLU   A 1 110 ? -32.321 -17.798 -13.695 0.25 13.14 ? 116 GLU   B C   1 
ATOM   972  O O   A GLU   A 1 110 ? -32.338 -16.977 -14.646 0.25 12.87 ? 116 GLU   B O   1 
ATOM   973  O O   B GLU   A 1 110 ? -31.965 -16.840 -14.386 0.25 12.63 ? 116 GLU   B O   1 
ATOM   974  C CB  A GLU   A 1 110 ? -34.757 -18.089 -12.887 0.25 15.66 ? 116 GLU   B CB  1 
ATOM   975  C CB  B GLU   A 1 110 ? -34.764 -17.970 -13.215 0.25 15.06 ? 116 GLU   B CB  1 
ATOM   976  C CG  A GLU   A 1 110 ? -35.685 -17.971 -11.692 0.25 17.57 ? 116 GLU   B CG  1 
ATOM   977  C CG  B GLU   A 1 110 ? -35.943 -17.647 -12.311 0.25 16.96 ? 116 GLU   B CG  1 
ATOM   978  C CD  A GLU   A 1 110 ? -37.114 -18.381 -11.972 0.25 19.97 ? 116 GLU   B CD  1 
ATOM   979  C CD  B GLU   A 1 110 ? -36.139 -18.610 -11.153 0.25 18.74 ? 116 GLU   B CD  1 
ATOM   980  O OE1 A GLU   A 1 110 ? -37.590 -18.092 -13.089 0.25 21.68 ? 116 GLU   B OE1 1 
ATOM   981  O OE1 B GLU   A 1 110 ? -35.773 -19.784 -11.287 0.25 20.01 ? 116 GLU   B OE1 1 
ATOM   982  O OE2 A GLU   A 1 110 ? -37.735 -19.002 -11.078 0.25 21.94 ? 116 GLU   B OE2 1 
ATOM   983  O OE2 B GLU   A 1 110 ? -36.688 -18.170 -10.137 0.25 23.70 ? 116 GLU   B OE2 1 
ATOM   984  N N   . ALA   A 1 111 ? -31.810 -19.028 -13.809 1.00 13.64 ? 117 ALA   B N   1 
ATOM   985  C CA  . ALA   A 1 111 ? -31.030 -19.463 -14.970 1.00 12.65 ? 117 ALA   B CA  1 
ATOM   986  C C   . ALA   A 1 111 ? -31.960 -20.235 -15.916 1.00 12.62 ? 117 ALA   B C   1 
ATOM   987  O O   . ALA   A 1 111 ? -32.827 -21.036 -15.480 1.00 13.66 ? 117 ALA   B O   1 
ATOM   988  C CB  . ALA   A 1 111 ? -29.854 -20.330 -14.576 1.00 12.66 ? 117 ALA   B CB  1 
ATOM   989  N N   . GLY   A 1 112 ? -31.785 -19.976 -17.197 1.00 13.16 ? 118 GLY   B N   1 
ATOM   990  C CA  . GLY   A 1 112 ? -32.598 -20.549 -18.288 1.00 13.71 ? 118 GLY   B CA  1 
ATOM   991  C C   . GLY   A 1 112 ? -32.232 -21.997 -18.570 1.00 14.54 ? 118 GLY   B C   1 
ATOM   992  O O   . GLY   A 1 112 ? -31.990 -22.338 -19.702 1.00 14.91 ? 118 GLY   B O   1 
ATOM   993  N N   . THR   A 1 113 ? -32.207 -22.856 -17.570 1.00 15.76 ? 119 THR   B N   1 
ATOM   994  C CA  . THR   A 1 113 ? -32.195 -24.319 -17.776 1.00 17.15 ? 119 THR   B CA  1 
ATOM   995  C C   . THR   A 1 113 ? -33.623 -24.801 -18.050 1.00 17.43 ? 119 THR   B C   1 
ATOM   996  O O   . THR   A 1 113 ? -34.566 -24.009 -17.865 1.00 19.92 ? 119 THR   B O   1 
ATOM   997  C CB  . THR   A 1 113 ? -31.570 -24.954 -16.536 1.00 15.22 ? 119 THR   B CB  1 
ATOM   998  O OG1 . THR   A 1 113 ? -32.273 -24.479 -15.384 1.00 15.31 ? 119 THR   B OG1 1 
ATOM   999  C CG2 . THR   A 1 113 ? -30.119 -24.639 -16.352 1.00 16.23 ? 119 THR   B CG2 1 
ATOM   1000 N N   . SER   A 1 114 ? -33.800 -26.087 -18.340 1.00 19.56 ? 120 SER   B N   1 
ATOM   1001 C CA  . SER   A 1 114 ? -35.154 -26.661 -18.541 1.00 23.23 ? 120 SER   B CA  1 
ATOM   1002 C C   . SER   A 1 114 ? -35.352 -27.841 -17.587 1.00 24.35 ? 120 SER   B C   1 
ATOM   1003 O O   . SER   A 1 114 ? -34.726 -28.887 -17.756 1.00 26.01 ? 120 SER   B O   1 
ATOM   1004 C CB  . SER   A 1 114 ? -35.407 -27.086 -19.967 1.00 28.78 ? 120 SER   B CB  1 
ATOM   1005 O OG  . SER   A 1 114 ? -36.786 -27.428 -20.108 1.00 31.87 ? 120 SER   B OG  1 
ATOM   1006 N N   . PRO   A 1 115 ? -36.114 -27.673 -16.490 1.00 23.29 ? 121 PRO   B N   1 
ATOM   1007 C CA  . PRO   A 1 115 ? -36.772 -26.421 -16.140 1.00 23.25 ? 121 PRO   B CA  1 
ATOM   1008 C C   . PRO   A 1 115 ? -35.812 -25.406 -15.501 1.00 18.33 ? 121 PRO   B C   1 
ATOM   1009 O O   . PRO   A 1 115 ? -34.663 -25.733 -15.187 1.00 17.16 ? 121 PRO   B O   1 
ATOM   1010 C CB  . PRO   A 1 115 ? -37.802 -26.881 -15.102 1.00 26.51 ? 121 PRO   B CB  1 
ATOM   1011 C CG  . PRO   A 1 115 ? -37.075 -27.987 -14.359 1.00 25.71 ? 121 PRO   B CG  1 
ATOM   1012 C CD  . PRO   A 1 115 ? -36.298 -28.711 -15.446 1.00 25.26 ? 121 PRO   B CD  1 
ATOM   1013 N N   . GLN   A 1 116 ? -36.300 -24.199 -15.286 1.00 18.20 ? 122 GLN   B N   1 
ATOM   1014 C CA  . GLN   A 1 116 ? -35.446 -23.090 -14.813 1.00 17.67 ? 122 GLN   B CA  1 
ATOM   1015 C C   . GLN   A 1 116 ? -34.908 -23.357 -13.398 1.00 15.92 ? 122 GLN   B C   1 
ATOM   1016 O O   . GLN   A 1 116 ? -35.540 -24.063 -12.605 1.00 18.33 ? 122 GLN   B O   1 
ATOM   1017 C CB  . GLN   A 1 116 ? -36.134 -21.728 -14.927 1.00 22.15 ? 122 GLN   B CB  1 
ATOM   1018 C CG  . GLN   A 1 116 ? -37.216 -21.454 -13.913 1.00 28.44 ? 122 GLN   B CG  1 
ATOM   1019 C CD  . GLN   A 1 116 ? -38.586 -21.750 -14.466 1.00 37.77 ? 122 GLN   B CD  1 
ATOM   1020 O OE1 . GLN   A 1 116 ? -38.815 -22.771 -15.130 1.00 42.73 ? 122 GLN   B OE1 1 
ATOM   1021 N NE2 . GLN   A 1 116 ? -39.521 -20.875 -14.140 1.00 46.87 ? 122 GLN   B NE2 1 
ATOM   1022 N N   . THR   A 1 117 ? -33.761 -22.767 -13.109 1.00 14.37 ? 123 THR   B N   1 
ATOM   1023 C CA  . THR   A 1 117 ? -33.053 -22.914 -11.822 1.00 13.47 ? 123 THR   B CA  1 
ATOM   1024 C C   . THR   A 1 117 ? -33.101 -21.595 -11.061 1.00 13.49 ? 123 THR   B C   1 
ATOM   1025 O O   . THR   A 1 117 ? -32.594 -20.566 -11.589 1.00 13.47 ? 123 THR   B O   1 
ATOM   1026 C CB  . THR   A 1 117 ? -31.608 -23.361 -12.093 1.00 13.74 ? 123 THR   B CB  1 
ATOM   1027 O OG1 . THR   A 1 117 ? -31.646 -24.607 -12.783 1.00 14.08 ? 123 THR   B OG1 1 
ATOM   1028 C CG2 . THR   A 1 117 ? -30.814 -23.507 -10.831 1.00 14.21 ? 123 THR   B CG2 1 
ATOM   1029 N N   . THR   A 1 118 ? -33.520 -21.636 -9.799  1.00 13.64 ? 124 THR   B N   1 
ATOM   1030 C CA  . THR   A 1 118 ? -33.465 -20.495 -8.854  1.00 15.32 ? 124 THR   B CA  1 
ATOM   1031 C C   . THR   A 1 118 ? -32.038 -20.042 -8.590  1.00 13.33 ? 124 THR   B C   1 
ATOM   1032 O O   . THR   A 1 118 ? -31.157 -20.910 -8.268  1.00 17.17 ? 124 THR   B O   1 
ATOM   1033 C CB  . THR   A 1 118 ? -34.093 -20.972 -7.539  1.00 18.19 ? 124 THR   B CB  1 
ATOM   1034 O OG1 . THR   A 1 118 ? -35.450 -21.283 -7.823  1.00 20.90 ? 124 THR   B OG1 1 
ATOM   1035 C CG2 . THR   A 1 118 ? -33.947 -19.963 -6.431  1.00 22.54 ? 124 THR   B CG2 1 
ATOM   1036 N N   . LEU   A 1 119 ? -31.743 -18.751 -8.724  1.00 12.27 ? 125 LEU   B N   1 
ATOM   1037 C CA  . LEU   A 1 119 ? -30.421 -18.164 -8.387  1.00 12.80 ? 125 LEU   B CA  1 
ATOM   1038 C C   . LEU   A 1 119 ? -30.523 -17.549 -6.985  1.00 16.06 ? 125 LEU   B C   1 
ATOM   1039 O O   . LEU   A 1 119 ? -31.649 -17.247 -6.510  1.00 19.21 ? 125 LEU   B O   1 
ATOM   1040 C CB  . LEU   A 1 119 ? -30.004 -17.119 -9.437  1.00 13.51 ? 125 LEU   B CB  1 
ATOM   1041 C CG  . LEU   A 1 119 ? -29.935 -17.672 -10.861 1.00 13.19 ? 125 LEU   B CG  1 
ATOM   1042 C CD1 . LEU   A 1 119 ? -29.725 -16.570 -11.884 1.00 13.54 ? 125 LEU   B CD1 1 
ATOM   1043 C CD2 . LEU   A 1 119 ? -28.855 -18.728 -11.002 1.00 14.30 ? 125 LEU   B CD2 1 
ATOM   1044 N N   . HIS   A 1 120 ? -29.384 -17.418 -6.336  1.00 16.25 ? 126 HIS   B N   1 
ATOM   1045 C CA  . HIS   A 1 120 ? -29.275 -16.979 -4.923  1.00 16.50 ? 126 HIS   B CA  1 
ATOM   1046 C C   . HIS   A 1 120 ? -28.448 -15.708 -4.962  1.00 17.33 ? 126 HIS   B C   1 
ATOM   1047 O O   . HIS   A 1 120 ? -27.215 -15.799 -4.910  1.00 23.33 ? 126 HIS   B O   1 
ATOM   1048 C CB  . HIS   A 1 120 ? -28.630 -18.091 -4.083  1.00 18.54 ? 126 HIS   B CB  1 
ATOM   1049 C CG  . HIS   A 1 120 ? -29.390 -19.384 -4.052  1.00 22.17 ? 126 HIS   B CG  1 
ATOM   1050 N ND1 . HIS   A 1 120 ? -29.013 -20.506 -4.814  1.00 25.43 ? 126 HIS   B ND1 1 
ATOM   1051 C CD2 . HIS   A 1 120 ? -30.483 -19.756 -3.350  1.00 26.08 ? 126 HIS   B CD2 1 
ATOM   1052 C CE1 . HIS   A 1 120 ? -29.901 -21.472 -4.606  1.00 28.24 ? 126 HIS   B CE1 1 
ATOM   1053 N NE2 . HIS   A 1 120 ? -30.771 -21.060 -3.677  1.00 23.42 ? 126 HIS   B NE2 1 
ATOM   1054 N N   . ILE   A 1 121 ? -29.076 -14.561 -5.122  1.00 19.55 ? 127 ILE   B N   1 
ATOM   1055 C CA  . ILE   A 1 121 ? -28.347 -13.273 -5.232  1.00 21.05 ? 127 ILE   B CA  1 
ATOM   1056 C C   . ILE   A 1 121 ? -28.730 -12.396 -4.010  1.00 22.15 ? 127 ILE   B C   1 
ATOM   1057 O O   . ILE   A 1 121 ? -29.908 -12.068 -3.826  1.00 28.73 ? 127 ILE   B O   1 
ATOM   1058 C CB  . ILE   A 1 121 ? -28.605 -12.601 -6.602  1.00 23.32 ? 127 ILE   B CB  1 
ATOM   1059 C CG1 . ILE   A 1 121 ? -28.333 -13.535 -7.792  1.00 20.72 ? 127 ILE   B CG1 1 
ATOM   1060 C CG2 . ILE   A 1 121 ? -27.700 -11.380 -6.695  1.00 27.50 ? 127 ILE   B CG2 1 
ATOM   1061 C CD1 . ILE   A 1 121 ? -28.551 -12.881 -9.158  1.00 22.47 ? 127 ILE   B CD1 1 
ATOM   1062 N N   . GLN   A 1 122 ? -27.766 -12.095 -3.156  1.00 26.81 ? 128 GLN   B N   1 
ATOM   1063 C CA  . GLN   A 1 122 ? -27.997 -11.301 -1.913  1.00 29.25 ? 128 GLN   B CA  1 
ATOM   1064 C C   . GLN   A 1 122 ? -27.983 -9.807  -2.276  1.00 26.22 ? 128 GLN   B C   1 
ATOM   1065 O O   . GLN   A 1 122 ? -28.759 -9.047  -1.661  1.00 24.78 ? 128 GLN   B O   1 
ATOM   1066 C CB  . GLN   A 1 122 ? -26.935 -11.688 -0.877  1.00 35.69 ? 128 GLN   B CB  1 
ATOM   1067 C CG  . GLN   A 1 122 ? -27.016 -10.893 0.424   1.00 44.80 ? 128 GLN   B CG  1 
ATOM   1068 C CD  . GLN   A 1 122 ? -28.275 -11.156 1.225   1.00 47.42 ? 128 GLN   B CD  1 
ATOM   1069 O OE1 . GLN   A 1 122 ? -29.037 -12.083 0.958   1.00 52.90 ? 128 GLN   B OE1 1 
ATOM   1070 N NE2 . GLN   A 1 122 ? -28.520 -10.307 2.210   1.00 53.11 ? 128 GLN   B NE2 1 
ATOM   1071 N N   . VAL   A 1 123 ? -27.189 -9.410  -3.274  1.00 22.56 ? 129 VAL   B N   1 
ATOM   1072 C CA  . VAL   A 1 123 ? -27.061 -7.975  -3.693  1.00 21.15 ? 129 VAL   B CA  1 
ATOM   1073 C C   . VAL   A 1 123 ? -27.618 -7.802  -5.111  1.00 22.24 ? 129 VAL   B C   1 
ATOM   1074 O O   . VAL   A 1 123 ? -26.986 -8.259  -6.064  1.00 20.59 ? 129 VAL   B O   1 
ATOM   1075 C CB  . VAL   A 1 123 ? -25.601 -7.506  -3.618  1.00 23.91 ? 129 VAL   B CB  1 
ATOM   1076 C CG1 . VAL   A 1 123 ? -25.418 -6.068  -4.099  1.00 23.48 ? 129 VAL   B CG1 1 
ATOM   1077 C CG2 . VAL   A 1 123 ? -25.035 -7.670  -2.209  1.00 24.89 ? 129 VAL   B CG2 1 
ATOM   1078 N N   . PRO   A 1 124 ? -28.844 -7.249  -5.291  1.00 21.04 ? 130 PRO   B N   1 
ATOM   1079 C CA  . PRO   A 1 124 ? -29.430 -7.103  -6.629  1.00 19.58 ? 130 PRO   B CA  1 
ATOM   1080 C C   . PRO   A 1 124 ? -28.423 -6.440  -7.550  1.00 18.78 ? 130 PRO   B C   1 
ATOM   1081 O O   . PRO   A 1 124 ? -27.922 -5.380  -7.258  1.00 18.65 ? 130 PRO   B O   1 
ATOM   1082 C CB  . PRO   A 1 124 ? -30.680 -6.243  -6.351  1.00 23.23 ? 130 PRO   B CB  1 
ATOM   1083 C CG  . PRO   A 1 124 ? -31.094 -6.743  -4.965  1.00 22.80 ? 130 PRO   B CG  1 
ATOM   1084 C CD  . PRO   A 1 124 ? -29.781 -6.812  -4.230  1.00 23.41 ? 130 PRO   B CD  1 
ATOM   1085 N N   . PRO   A 1 125 ? -28.056 -7.056  -8.690  1.00 16.93 ? 131 PRO   B N   1 
ATOM   1086 C CA  . PRO   A 1 125 ? -27.030 -6.488  -9.546  1.00 17.21 ? 131 PRO   B CA  1 
ATOM   1087 C C   . PRO   A 1 125 ? -27.511 -5.261  -10.338 1.00 15.56 ? 131 PRO   B C   1 
ATOM   1088 O O   . PRO   A 1 125 ? -28.642 -5.274  -10.799 1.00 17.07 ? 131 PRO   B O   1 
ATOM   1089 C CB  . PRO   A 1 125 ? -26.661 -7.624  -10.516 1.00 17.14 ? 131 PRO   B CB  1 
ATOM   1090 C CG  . PRO   A 1 125 ? -27.646 -8.706  -10.304 1.00 18.05 ? 131 PRO   B CG  1 
ATOM   1091 C CD  . PRO   A 1 125 ? -28.473 -8.406  -9.085  1.00 16.46 ? 131 PRO   B CD  1 
ATOM   1092 N N   . CYS   A 1 126 ? -26.653 -4.247  -10.456 1.00 16.64 ? 132 CYS   B N   1 
ATOM   1093 C CA  . CYS   A 1 126 ? -26.870 -3.123  -11.409 1.00 17.06 ? 132 CYS   B CA  1 
ATOM   1094 C C   . CYS   A 1 126 ? -26.082 -3.383  -12.710 1.00 15.12 ? 132 CYS   B C   1 
ATOM   1095 O O   . CYS   A 1 126 ? -26.419 -2.800  -13.741 1.00 14.78 ? 132 CYS   B O   1 
ATOM   1096 C CB  . CYS   A 1 126 ? -26.471 -1.772  -10.855 1.00 19.54 ? 132 CYS   B CB  1 
ATOM   1097 S SG  . CYS   A 1 126 ? -27.465 -1.345  -9.401  1.00 26.59 ? 132 CYS   B SG  1 
ATOM   1098 N N   A GLN   A 1 127 ? -25.025 -4.206  -12.671 0.25 15.78 ? 133 GLN   B N   1 
ATOM   1099 N N   B GLN   A 1 127 ? -25.063 -4.243  -12.649 0.25 16.06 ? 133 GLN   B N   1 
ATOM   1100 C CA  A GLN   A 1 127 ? -24.286 -4.624  -13.902 0.25 16.06 ? 133 GLN   B CA  1 
ATOM   1101 C CA  B GLN   A 1 127 ? -24.286 -4.652  -13.849 0.25 16.65 ? 133 GLN   B CA  1 
ATOM   1102 C C   A GLN   A 1 127 ? -23.918 -6.109  -13.803 0.25 15.77 ? 133 GLN   B C   1 
ATOM   1103 C C   B GLN   A 1 127 ? -24.021 -6.159  -13.774 0.25 16.08 ? 133 GLN   B C   1 
ATOM   1104 O O   A GLN   A 1 127 ? -23.510 -6.558  -12.706 0.25 13.73 ? 133 GLN   B O   1 
ATOM   1105 O O   B GLN   A 1 127 ? -23.838 -6.695  -12.652 0.25 13.82 ? 133 GLN   B O   1 
ATOM   1106 C CB  A GLN   A 1 127 ? -23.003 -3.824  -14.157 0.25 17.87 ? 133 GLN   B CB  1 
ATOM   1107 C CB  B GLN   A 1 127 ? -22.982 -3.860  -13.970 0.25 19.03 ? 133 GLN   B CB  1 
ATOM   1108 C CG  A GLN   A 1 127 ? -23.220 -2.344  -14.407 0.25 18.78 ? 133 GLN   B CG  1 
ATOM   1109 C CG  B GLN   A 1 127 ? -23.194 -2.364  -14.088 0.25 20.41 ? 133 GLN   B CG  1 
ATOM   1110 C CD  A GLN   A 1 127 ? -23.103 -1.562  -13.125 0.25 20.11 ? 133 GLN   B CD  1 
ATOM   1111 C CD  B GLN   A 1 127 ? -21.915 -1.624  -14.392 0.25 21.33 ? 133 GLN   B CD  1 
ATOM   1112 O OE1 A GLN   A 1 127 ? -22.324 -1.914  -12.239 0.25 19.72 ? 133 GLN   B OE1 1 
ATOM   1113 O OE1 B GLN   A 1 127 ? -20.892 -2.207  -14.758 0.25 25.09 ? 133 GLN   B OE1 1 
ATOM   1114 N NE2 A GLN   A 1 127 ? -23.883 -0.497  -13.016 0.25 19.74 ? 133 GLN   B NE2 1 
ATOM   1115 N NE2 B GLN   A 1 127 ? -21.979 -0.315  -14.259 0.25 22.98 ? 133 GLN   B NE2 1 
ATOM   1116 N N   . ILE   A 1 128 ? -24.025 -6.803  -14.940 1.00 15.18 ? 134 ILE   B N   1 
ATOM   1117 C CA  . ILE   A 1 128 ? -23.824 -8.273  -15.080 1.00 14.26 ? 134 ILE   B CA  1 
ATOM   1118 C C   . ILE   A 1 128 ? -22.614 -8.445  -15.991 1.00 14.60 ? 134 ILE   B C   1 
ATOM   1119 O O   . ILE   A 1 128 ? -22.561 -7.846  -17.083 1.00 14.02 ? 134 ILE   B O   1 
ATOM   1120 C CB  . ILE   A 1 128 ? -25.079 -8.954  -15.654 1.00 15.53 ? 134 ILE   B CB  1 
ATOM   1121 C CG1 . ILE   A 1 128 ? -26.348 -8.775  -14.817 1.00 17.91 ? 134 ILE   B CG1 1 
ATOM   1122 C CG2 . ILE   A 1 128 ? -24.782 -10.416 -15.925 1.00 15.52 ? 134 ILE   B CG2 1 
ATOM   1123 C CD1 . ILE   A 1 128 ? -26.335 -9.500  -13.577 1.00 17.32 ? 134 ILE   B CD1 1 
ATOM   1124 N N   . GLY   A 1 129 ? -21.658 -9.293  -15.580 1.00 14.20 ? 135 GLY   B N   1 
ATOM   1125 C CA  . GLY   A 1 129 ? -20.571 -9.729  -16.457 1.00 13.97 ? 135 GLY   B CA  1 
ATOM   1126 C C   . GLY   A 1 129 ? -20.875 -11.099 -17.032 1.00 14.26 ? 135 GLY   B C   1 
ATOM   1127 O O   . GLY   A 1 129 ? -21.415 -11.961 -16.327 1.00 13.73 ? 135 GLY   B O   1 
ATOM   1128 N N   . ILE   A 1 130 ? -20.633 -11.270 -18.333 1.00 14.34 ? 136 ILE   B N   1 
ATOM   1129 C CA  . ILE   A 1 130 ? -20.876 -12.530 -19.070 1.00 13.23 ? 136 ILE   B CA  1 
ATOM   1130 C C   . ILE   A 1 130 ? -19.558 -13.003 -19.670 1.00 13.88 ? 136 ILE   B C   1 
ATOM   1131 O O   . ILE   A 1 130 ? -18.875 -12.228 -20.349 1.00 14.13 ? 136 ILE   B O   1 
ATOM   1132 C CB  . ILE   A 1 130 ? -21.937 -12.314 -20.161 1.00 15.42 ? 136 ILE   B CB  1 
ATOM   1133 C CG1 . ILE   A 1 130 ? -23.243 -11.796 -19.550 1.00 17.42 ? 136 ILE   B CG1 1 
ATOM   1134 C CG2 . ILE   A 1 130 ? -22.122 -13.574 -21.021 1.00 16.08 ? 136 ILE   B CG2 1 
ATOM   1135 C CD1 . ILE   A 1 130 ? -24.248 -11.344 -20.545 1.00 19.95 ? 136 ILE   B CD1 1 
ATOM   1136 N N   . PHE   A 1 131 ? -19.172 -14.201 -19.297 1.00 13.41 ? 137 PHE   B N   1 
ATOM   1137 C CA  . PHE   A 1 131 ? -17.922 -14.857 -19.757 1.00 12.96 ? 137 PHE   B CA  1 
ATOM   1138 C C   . PHE   A 1 131 ? -18.288 -16.089 -20.564 1.00 11.99 ? 137 PHE   B C   1 
ATOM   1139 O O   . PHE   A 1 131 ? -19.066 -16.948 -20.116 1.00 13.04 ? 137 PHE   B O   1 
ATOM   1140 C CB  . PHE   A 1 131 ? -17.081 -15.303 -18.572 1.00 13.96 ? 137 PHE   B CB  1 
ATOM   1141 C CG  . PHE   A 1 131 ? -15.812 -16.048 -18.922 1.00 15.71 ? 137 PHE   B CG  1 
ATOM   1142 C CD1 . PHE   A 1 131 ? -14.784 -15.402 -19.587 1.00 18.18 ? 137 PHE   B CD1 1 
ATOM   1143 C CD2 . PHE   A 1 131 ? -15.660 -17.387 -18.608 1.00 17.90 ? 137 PHE   B CD2 1 
ATOM   1144 C CE1 . PHE   A 1 131 ? -13.598 -16.074 -19.866 1.00 21.14 ? 137 PHE   B CE1 1 
ATOM   1145 C CE2 . PHE   A 1 131 ? -14.499 -18.076 -18.942 1.00 19.76 ? 137 PHE   B CE2 1 
ATOM   1146 C CZ  . PHE   A 1 131 ? -13.470 -17.411 -19.561 1.00 18.32 ? 137 PHE   B CZ  1 
ATOM   1147 N N   . VAL   A 1 132 ? -17.695 -16.213 -21.753 1.00 12.67 ? 138 VAL   B N   1 
ATOM   1148 C CA  . VAL   A 1 132 ? -17.844 -17.424 -22.606 1.00 13.07 ? 138 VAL   B CA  1 
ATOM   1149 C C   . VAL   A 1 132 ? -16.459 -18.007 -22.895 1.00 13.12 ? 138 VAL   B C   1 
ATOM   1150 O O   . VAL   A 1 132 ? -15.574 -17.298 -23.368 1.00 14.89 ? 138 VAL   B O   1 
ATOM   1151 C CB  . VAL   A 1 132 ? -18.585 -17.121 -23.919 1.00 13.07 ? 138 VAL   B CB  1 
ATOM   1152 C CG1 . VAL   A 1 132 ? -18.748 -18.364 -24.793 1.00 14.37 ? 138 VAL   B CG1 1 
ATOM   1153 C CG2 . VAL   A 1 132 ? -19.938 -16.491 -23.622 1.00 14.29 ? 138 VAL   B CG2 1 
ATOM   1154 N N   . ASP   A 1 133 ? -16.298 -19.282 -22.597 1.00 13.90 ? 139 ASP   B N   1 
ATOM   1155 C CA  . ASP   A 1 133 ? -15.100 -20.062 -23.039 1.00 15.02 ? 139 ASP   B CA  1 
ATOM   1156 C C   . ASP   A 1 133 ? -15.600 -21.098 -24.046 1.00 13.24 ? 139 ASP   B C   1 
ATOM   1157 O O   . ASP   A 1 133 ? -16.248 -22.082 -23.676 1.00 13.88 ? 139 ASP   B O   1 
ATOM   1158 C CB  . ASP   A 1 133 ? -14.365 -20.653 -21.857 1.00 14.38 ? 139 ASP   B CB  1 
ATOM   1159 C CG  . ASP   A 1 133 ? -13.087 -21.373 -22.251 1.00 17.07 ? 139 ASP   B CG  1 
ATOM   1160 O OD1 . ASP   A 1 133 ? -12.987 -21.838 -23.444 1.00 17.38 ? 139 ASP   B OD1 1 
ATOM   1161 O OD2 . ASP   A 1 133 ? -12.257 -21.540 -21.319 1.00 21.33 ? 139 ASP   B OD2 1 
ATOM   1162 N N   . TYR   A 1 134 ? -15.421 -20.806 -25.340 1.00 14.51 ? 140 TYR   B N   1 
ATOM   1163 C CA  . TYR   A 1 134 ? -15.993 -21.635 -26.417 1.00 14.30 ? 140 TYR   B CA  1 
ATOM   1164 C C   . TYR   A 1 134 ? -15.455 -23.081 -26.315 1.00 15.98 ? 140 TYR   B C   1 
ATOM   1165 O O   . TYR   A 1 134 ? -16.212 -24.052 -26.274 1.00 17.16 ? 140 TYR   B O   1 
ATOM   1166 C CB  . TYR   A 1 134 ? -15.713 -21.024 -27.796 1.00 15.56 ? 140 TYR   B CB  1 
ATOM   1167 C CG  . TYR   A 1 134 ? -16.643 -21.603 -28.823 1.00 14.59 ? 140 TYR   B CG  1 
ATOM   1168 C CD1 . TYR   A 1 134 ? -16.444 -22.880 -29.305 1.00 15.14 ? 140 TYR   B CD1 1 
ATOM   1169 C CD2 . TYR   A 1 134 ? -17.793 -20.934 -29.227 1.00 14.58 ? 140 TYR   B CD2 1 
ATOM   1170 C CE1 . TYR   A 1 134 ? -17.319 -23.469 -30.191 1.00 16.60 ? 140 TYR   B CE1 1 
ATOM   1171 C CE2 . TYR   A 1 134 ? -18.693 -21.526 -30.099 1.00 13.83 ? 140 TYR   B CE2 1 
ATOM   1172 C CZ  . TYR   A 1 134 ? -18.441 -22.788 -30.614 1.00 15.20 ? 140 TYR   B CZ  1 
ATOM   1173 O OH  . TYR   A 1 134 ? -19.304 -23.415 -31.482 1.00 14.51 ? 140 TYR   B OH  1 
ATOM   1174 N N   . GLU   A 1 135 ? -14.139 -23.220 -26.244 1.00 17.80 ? 141 GLU   B N   1 
ATOM   1175 C CA  . GLU   A 1 135 ? -13.498 -24.562 -26.257 1.00 18.23 ? 141 GLU   B CA  1 
ATOM   1176 C C   . GLU   A 1 135 ? -13.900 -25.360 -25.022 1.00 17.16 ? 141 GLU   B C   1 
ATOM   1177 O O   . GLU   A 1 135 ? -14.166 -26.551 -25.162 1.00 20.35 ? 141 GLU   B O   1 
ATOM   1178 C CB  . GLU   A 1 135 ? -11.982 -24.454 -26.384 1.00 19.99 ? 141 GLU   B CB  1 
ATOM   1179 C CG  . GLU   A 1 135 ? -11.556 -24.313 -27.845 1.00 26.81 ? 141 GLU   B CG  1 
ATOM   1180 C CD  . GLU   A 1 135 ? -11.937 -22.981 -28.420 1.00 27.88 ? 141 GLU   B CD  1 
ATOM   1181 O OE1 . GLU   A 1 135 ? -12.165 -22.906 -29.615 1.00 28.23 ? 141 GLU   B OE1 1 
ATOM   1182 O OE2 . GLU   A 1 135 ? -12.002 -22.003 -27.640 1.00 34.01 ? 141 GLU   B OE2 1 
ATOM   1183 N N   . ALA   A 1 136 ? -13.975 -24.749 -23.845 1.00 16.91 ? 142 ALA   B N   1 
ATOM   1184 C CA  . ALA   A 1 136 ? -14.348 -25.432 -22.597 1.00 16.97 ? 142 ALA   B CA  1 
ATOM   1185 C C   . ALA   A 1 136 ? -15.848 -25.724 -22.545 1.00 16.42 ? 142 ALA   B C   1 
ATOM   1186 O O   . ALA   A 1 136 ? -16.267 -26.629 -21.763 1.00 19.81 ? 142 ALA   B O   1 
ATOM   1187 C CB  . ALA   A 1 136 ? -13.931 -24.591 -21.422 1.00 17.88 ? 142 ALA   B CB  1 
ATOM   1188 N N   . GLY   A 1 137 ? -16.669 -25.065 -23.359 1.00 13.98 ? 143 GLY   B N   1 
ATOM   1189 C CA  . GLY   A 1 137 ? -18.117 -25.229 -23.265 1.00 13.11 ? 143 GLY   B CA  1 
ATOM   1190 C C   . GLY   A 1 137 ? -18.662 -24.612 -21.975 1.00 13.47 ? 143 GLY   B C   1 
ATOM   1191 O O   . GLY   A 1 137 ? -19.467 -25.304 -21.288 1.00 13.86 ? 143 GLY   B O   1 
ATOM   1192 N N   . VAL   A 1 138 ? -18.309 -23.374 -21.677 1.00 13.46 ? 144 VAL   B N   1 
ATOM   1193 C CA  . VAL   A 1 138 ? -18.695 -22.684 -20.402 1.00 13.61 ? 144 VAL   B CA  1 
ATOM   1194 C C   . VAL   A 1 138 ? -19.330 -21.335 -20.722 1.00 12.98 ? 144 VAL   B C   1 
ATOM   1195 O O   . VAL   A 1 138 ? -18.767 -20.556 -21.545 1.00 14.73 ? 144 VAL   B O   1 
ATOM   1196 C CB  . VAL   A 1 138 ? -17.478 -22.524 -19.480 1.00 15.11 ? 144 VAL   B CB  1 
ATOM   1197 C CG1 . VAL   A 1 138 ? -17.752 -21.589 -18.291 1.00 16.36 ? 144 VAL   B CG1 1 
ATOM   1198 C CG2 . VAL   A 1 138 ? -16.989 -23.889 -19.031 1.00 15.44 ? 144 VAL   B CG2 1 
ATOM   1199 N N   . VAL   A 1 139 ? -20.420 -21.028 -20.029 1.00 12.67 ? 145 VAL   B N   1 
ATOM   1200 C CA  . VAL   A 1 139 ? -20.972 -19.648 -19.978 1.00 11.84 ? 145 VAL   B CA  1 
ATOM   1201 C C   . VAL   A 1 139 ? -21.171 -19.278 -18.500 1.00 11.37 ? 145 VAL   B C   1 
ATOM   1202 O O   . VAL   A 1 139 ? -21.915 -20.016 -17.837 1.00 12.68 ? 145 VAL   B O   1 
ATOM   1203 C CB  . VAL   A 1 139 ? -22.302 -19.537 -20.744 1.00 12.74 ? 145 VAL   B CB  1 
ATOM   1204 C CG1 . VAL   A 1 139 ? -22.789 -18.095 -20.722 1.00 11.98 ? 145 VAL   B CG1 1 
ATOM   1205 C CG2 . VAL   A 1 139 ? -22.179 -20.099 -22.149 1.00 12.22 ? 145 VAL   B CG2 1 
ATOM   1206 N N   . SER   A 1 140 ? -20.505 -18.240 -18.031 1.00 11.11 ? 146 SER   B N   1 
ATOM   1207 C CA  . SER   A 1 140 ? -20.613 -17.811 -16.619 1.00 12.76 ? 146 SER   B CA  1 
ATOM   1208 C C   . SER   A 1 140 ? -21.126 -16.376 -16.519 1.00 11.91 ? 146 SER   B C   1 
ATOM   1209 O O   . SER   A 1 140 ? -20.810 -15.537 -17.367 1.00 13.34 ? 146 SER   B O   1 
ATOM   1210 C CB  . SER   A 1 140 ? -19.270 -17.968 -15.938 1.00 12.89 ? 146 SER   B CB  1 
ATOM   1211 O OG  . SER   A 1 140 ? -18.907 -19.348 -15.827 1.00 13.79 ? 146 SER   B OG  1 
ATOM   1212 N N   . PHE   A 1 141 ? -21.823 -16.100 -15.425 1.00 11.69 ? 147 PHE   B N   1 
ATOM   1213 C CA  . PHE   A 1 141 ? -22.444 -14.796 -15.126 1.00 11.35 ? 147 PHE   B CA  1 
ATOM   1214 C C   . PHE   A 1 141 ? -21.927 -14.310 -13.774 1.00 12.18 ? 147 PHE   B C   1 
ATOM   1215 O O   . PHE   A 1 141 ? -21.922 -15.121 -12.793 1.00 12.60 ? 147 PHE   B O   1 
ATOM   1216 C CB  . PHE   A 1 141 ? -23.981 -14.897 -15.114 1.00 11.44 ? 147 PHE   B CB  1 
ATOM   1217 C CG  . PHE   A 1 141 ? -24.556 -15.315 -16.442 1.00 11.88 ? 147 PHE   B CG  1 
ATOM   1218 C CD1 . PHE   A 1 141 ? -24.596 -16.665 -16.808 1.00 11.19 ? 147 PHE   B CD1 1 
ATOM   1219 C CD2 . PHE   A 1 141 ? -25.045 -14.360 -17.321 1.00 12.42 ? 147 PHE   B CD2 1 
ATOM   1220 C CE1 . PHE   A 1 141 ? -25.077 -17.035 -18.050 1.00 11.11 ? 147 PHE   B CE1 1 
ATOM   1221 C CE2 . PHE   A 1 141 ? -25.536 -14.748 -18.561 1.00 11.03 ? 147 PHE   B CE2 1 
ATOM   1222 C CZ  . PHE   A 1 141 ? -25.566 -16.072 -18.906 1.00 10.40 ? 147 PHE   B CZ  1 
ATOM   1223 N N   . TYR   A 1 142 ? -21.555 -13.033 -13.728 1.00 12.85 ? 148 TYR   B N   1 
ATOM   1224 C CA  . TYR   A 1 142 ? -20.904 -12.400 -12.547 1.00 13.85 ? 148 TYR   B CA  1 
ATOM   1225 C C   . TYR   A 1 142 ? -21.685 -11.158 -12.113 1.00 15.10 ? 148 TYR   B C   1 
ATOM   1226 O O   . TYR   A 1 142 ? -22.192 -10.404 -12.927 1.00 14.98 ? 148 TYR   B O   1 
ATOM   1227 C CB  . TYR   A 1 142 ? -19.427 -12.111 -12.808 1.00 13.93 ? 148 TYR   B CB  1 
ATOM   1228 C CG  . TYR   A 1 142 ? -18.632 -13.360 -13.082 1.00 14.55 ? 148 TYR   B CG  1 
ATOM   1229 C CD1 . TYR   A 1 142 ? -18.166 -14.137 -12.050 1.00 15.82 ? 148 TYR   B CD1 1 
ATOM   1230 C CD2 . TYR   A 1 142 ? -18.436 -13.823 -14.365 1.00 14.67 ? 148 TYR   B CD2 1 
ATOM   1231 C CE1 . TYR   A 1 142 ? -17.467 -15.312 -12.293 1.00 15.59 ? 148 TYR   B CE1 1 
ATOM   1232 C CE2 . TYR   A 1 142 ? -17.738 -14.990 -14.634 1.00 15.41 ? 148 TYR   B CE2 1 
ATOM   1233 C CZ  . TYR   A 1 142 ? -17.246 -15.750 -13.588 1.00 16.27 ? 148 TYR   B CZ  1 
ATOM   1234 O OH  . TYR   A 1 142 ? -16.574 -16.939 -13.833 1.00 18.17 ? 148 TYR   B OH  1 
ATOM   1235 N N   . ASN   A 1 143 ? -21.740 -10.927 -10.802 1.00 15.06 ? 149 ASN   B N   1 
ATOM   1236 C CA  . ASN   A 1 143 ? -22.455 -9.765  -10.207 1.00 14.53 ? 149 ASN   B CA  1 
ATOM   1237 C C   . ASN   A 1 143 ? -21.439 -8.642  -9.998  1.00 15.34 ? 149 ASN   B C   1 
ATOM   1238 O O   . ASN   A 1 143 ? -20.641 -8.689  -9.020  1.00 16.71 ? 149 ASN   B O   1 
ATOM   1239 C CB  . ASN   A 1 143 ? -23.105 -10.189 -8.891  1.00 15.64 ? 149 ASN   B CB  1 
ATOM   1240 C CG  . ASN   A 1 143 ? -23.915 -9.084  -8.239  1.00 15.26 ? 149 ASN   B CG  1 
ATOM   1241 O OD1 . ASN   A 1 143 ? -23.745 -7.921  -8.566  1.00 16.08 ? 149 ASN   B OD1 1 
ATOM   1242 N ND2 . ASN   A 1 143 ? -24.776 -9.462  -7.323  1.00 15.98 ? 149 ASN   B ND2 1 
ATOM   1243 N N   . ILE   A 1 144 ? -21.371 -7.669  -10.885 1.00 15.41 ? 150 ILE   B N   1 
ATOM   1244 C CA  . ILE   A 1 144 ? -20.298 -6.649  -10.847 1.00 16.97 ? 150 ILE   B CA  1 
ATOM   1245 C C   . ILE   A 1 144 ? -20.550 -5.775  -9.606  1.00 19.23 ? 150 ILE   B C   1 
ATOM   1246 O O   . ILE   A 1 144 ? -19.559 -5.310  -9.008  1.00 20.77 ? 150 ILE   B O   1 
ATOM   1247 C CB  . ILE   A 1 144 ? -20.265 -5.842  -12.147 1.00 18.74 ? 150 ILE   B CB  1 
ATOM   1248 C CG1 . ILE   A 1 144 ? -20.063 -6.722  -13.394 1.00 18.72 ? 150 ILE   B CG1 1 
ATOM   1249 C CG2 . ILE   A 1 144 ? -19.217 -4.726  -12.074 1.00 20.70 ? 150 ILE   B CG2 1 
ATOM   1250 C CD1 . ILE   A 1 144 ? -18.964 -7.728  -13.263 1.00 22.04 ? 150 ILE   B CD1 1 
ATOM   1251 N N   . THR   A 1 145 ? -21.810 -5.563  -9.250  1.00 18.47 ? 151 THR   B N   1 
ATOM   1252 C CA  . THR   A 1 145 ? -22.194 -4.723  -8.058  1.00 19.79 ? 151 THR   B CA  1 
ATOM   1253 C C   . THR   A 1 145 ? -21.659 -5.352  -6.766  1.00 23.22 ? 151 THR   B C   1 
ATOM   1254 O O   . THR   A 1 145 ? -21.326 -4.575  -5.843  1.00 25.66 ? 151 THR   B O   1 
ATOM   1255 C CB  . THR   A 1 145 ? -23.712 -4.556  -7.977  1.00 19.02 ? 151 THR   B CB  1 
ATOM   1256 O OG1 . THR   A 1 145 ? -24.106 -4.127  -9.272  1.00 18.37 ? 151 THR   B OG1 1 
ATOM   1257 C CG2 . THR   A 1 145 ? -24.132 -3.543  -6.930  1.00 22.18 ? 151 THR   B CG2 1 
ATOM   1258 N N   . ASP   A 1 146 ? -21.525 -6.674  -6.720  1.00 21.93 ? 152 ASP   B N   1 
ATOM   1259 C CA  . ASP   A 1 146 ? -21.037 -7.443  -5.533  1.00 22.19 ? 152 ASP   B CA  1 
ATOM   1260 C C   . ASP   A 1 146 ? -19.625 -7.992  -5.777  1.00 23.32 ? 152 ASP   B C   1 
ATOM   1261 O O   . ASP   A 1 146 ? -19.451 -9.197  -5.635  1.00 22.56 ? 152 ASP   B O   1 
ATOM   1262 C CB  . ASP   A 1 146 ? -22.064 -8.481  -5.140  1.00 21.66 ? 152 ASP   B CB  1 
ATOM   1263 C CG  . ASP   A 1 146 ? -21.688 -9.261  -3.901  1.00 27.60 ? 152 ASP   B CG  1 
ATOM   1264 O OD1 . ASP   A 1 146 ? -21.257 -8.611  -2.917  1.00 28.19 ? 152 ASP   B OD1 1 
ATOM   1265 O OD2 . ASP   A 1 146 ? -21.822 -10.500 -3.946  1.00 25.48 ? 152 ASP   B OD2 1 
ATOM   1266 N N   . HIS   A 1 147 ? -18.671 -7.132  -6.159  1.00 24.61 ? 153 HIS   B N   1 
ATOM   1267 C CA  . HIS   A 1 147 ? -17.224 -7.456  -6.277  1.00 28.26 ? 153 HIS   B CA  1 
ATOM   1268 C C   . HIS   A 1 147 ? -17.037 -8.627  -7.259  1.00 27.23 ? 153 HIS   B C   1 
ATOM   1269 O O   . HIS   A 1 147 ? -16.090 -9.389  -7.098  1.00 27.04 ? 153 HIS   B O   1 
ATOM   1270 C CB  . HIS   A 1 147 ? -16.608 -7.838  -4.914  1.00 33.82 ? 153 HIS   B CB  1 
ATOM   1271 C CG  . HIS   A 1 147 ? -16.894 -6.939  -3.750  1.00 40.18 ? 153 HIS   B CG  1 
ATOM   1272 N ND1 . HIS   A 1 147 ? -16.250 -5.727  -3.565  1.00 47.75 ? 153 HIS   B ND1 1 
ATOM   1273 C CD2 . HIS   A 1 147 ? -17.688 -7.113  -2.667  1.00 46.39 ? 153 HIS   B CD2 1 
ATOM   1274 C CE1 . HIS   A 1 147 ? -16.683 -5.162  -2.450  1.00 50.08 ? 153 HIS   B CE1 1 
ATOM   1275 N NE2 . HIS   A 1 147 ? -17.565 -5.996  -1.875  1.00 49.14 ? 153 HIS   B NE2 1 
ATOM   1276 N N   . GLY   A 1 148 ? -17.925 -8.798  -8.238  1.00 21.04 ? 154 GLY   B N   1 
ATOM   1277 C CA  . GLY   A 1 148 ? -17.671 -9.813  -9.281  1.00 18.23 ? 154 GLY   B CA  1 
ATOM   1278 C C   . GLY   A 1 148 ? -18.089 -11.204 -8.850  1.00 16.36 ? 154 GLY   B C   1 
ATOM   1279 O O   . GLY   A 1 148 ? -17.565 -12.155 -9.420  1.00 16.71 ? 154 GLY   B O   1 
ATOM   1280 N N   . SER   A 1 149 ? -18.939 -11.334 -7.837  1.00 17.14 ? 155 SER   B N   1 
ATOM   1281 C CA  . SER   A 1 149 ? -19.303 -12.662 -7.273  1.00 16.00 ? 155 SER   B CA  1 
ATOM   1282 C C   . SER   A 1 149 ? -19.981 -13.534 -8.335  1.00 15.86 ? 155 SER   B C   1 
ATOM   1283 O O   . SER   A 1 149 ? -20.759 -12.996 -9.161  1.00 16.54 ? 155 SER   B O   1 
ATOM   1284 C CB  . SER   A 1 149 ? -20.136 -12.569 -6.045  1.00 16.91 ? 155 SER   B CB  1 
ATOM   1285 O OG  . SER   A 1 149 ? -21.330 -11.799 -6.211  1.00 17.79 ? 155 SER   B OG  1 
ATOM   1286 N N   . LEU   A 1 150 ? -19.777 -14.839 -8.296  1.00 15.08 ? 156 LEU   B N   1 
ATOM   1287 C CA  . LEU   A 1 150 ? -20.400 -15.730 -9.315  1.00 14.65 ? 156 LEU   B CA  1 
ATOM   1288 C C   . LEU   A 1 150 ? -21.902 -15.789 -9.103  1.00 14.32 ? 156 LEU   B C   1 
ATOM   1289 O O   . LEU   A 1 150 ? -22.391 -16.023 -7.962  1.00 14.58 ? 156 LEU   B O   1 
ATOM   1290 C CB  . LEU   A 1 150 ? -19.799 -17.138 -9.195  1.00 14.72 ? 156 LEU   B CB  1 
ATOM   1291 C CG  . LEU   A 1 150 ? -20.328 -18.181 -10.166 1.00 14.91 ? 156 LEU   B CG  1 
ATOM   1292 C CD1 . LEU   A 1 150 ? -19.972 -17.853 -11.605 1.00 14.32 ? 156 LEU   B CD1 1 
ATOM   1293 C CD2 . LEU   A 1 150 ? -19.726 -19.566 -9.800  1.00 15.66 ? 156 LEU   B CD2 1 
ATOM   1294 N N   . ILE   A 1 151 ? -22.651 -15.682 -10.205 1.00 11.77 ? 157 ILE   B N   1 
ATOM   1295 C CA  . ILE   A 1 151 ? -24.110 -15.889 -10.191 1.00 13.07 ? 157 ILE   B CA  1 
ATOM   1296 C C   . ILE   A 1 151 ? -24.438 -17.308 -10.658 1.00 12.57 ? 157 ILE   B C   1 
ATOM   1297 O O   . ILE   A 1 151 ? -25.263 -17.992 -10.037 1.00 12.23 ? 157 ILE   B O   1 
ATOM   1298 C CB  . ILE   A 1 151 ? -24.806 -14.823 -11.068 1.00 13.27 ? 157 ILE   B CB  1 
ATOM   1299 C CG1 . ILE   A 1 151 ? -24.615 -13.418 -10.517 1.00 13.39 ? 157 ILE   B CG1 1 
ATOM   1300 C CG2 . ILE   A 1 151 ? -26.290 -15.166 -11.246 1.00 13.12 ? 157 ILE   B CG2 1 
ATOM   1301 C CD1 . ILE   A 1 151 ? -25.095 -12.328 -11.447 1.00 15.21 ? 157 ILE   B CD1 1 
ATOM   1302 N N   . TYR   A 1 152 ? -23.892 -17.724 -11.811 1.00 11.42 ? 158 TYR   B N   1 
ATOM   1303 C CA  . TYR   A 1 152 ? -24.252 -19.034 -12.403 1.00 10.79 ? 158 TYR   B CA  1 
ATOM   1304 C C   . TYR   A 1 152 ? -23.205 -19.424 -13.447 1.00 11.70 ? 158 TYR   B C   1 
ATOM   1305 O O   . TYR   A 1 152 ? -22.741 -18.542 -14.184 1.00 11.65 ? 158 TYR   B O   1 
ATOM   1306 C CB  . TYR   A 1 152 ? -25.632 -18.977 -13.104 1.00 11.72 ? 158 TYR   B CB  1 
ATOM   1307 C CG  . TYR   A 1 152 ? -26.166 -20.334 -13.468 1.00 11.52 ? 158 TYR   B CG  1 
ATOM   1308 C CD1 . TYR   A 1 152 ? -26.799 -21.147 -12.535 1.00 12.22 ? 158 TYR   B CD1 1 
ATOM   1309 C CD2 . TYR   A 1 152 ? -25.987 -20.871 -14.739 1.00 11.14 ? 158 TYR   B CD2 1 
ATOM   1310 C CE1 . TYR   A 1 152 ? -27.232 -22.424 -12.846 1.00 12.65 ? 158 TYR   B CE1 1 
ATOM   1311 C CE2 . TYR   A 1 152 ? -26.485 -22.128 -15.069 1.00 11.76 ? 158 TYR   B CE2 1 
ATOM   1312 C CZ  . TYR   A 1 152 ? -27.061 -22.930 -14.119 1.00 12.07 ? 158 TYR   B CZ  1 
ATOM   1313 O OH  . TYR   A 1 152 ? -27.499 -24.207 -14.341 1.00 15.13 ? 158 TYR   B OH  1 
ATOM   1314 N N   . THR   A 1 153 ? -22.951 -20.729 -13.547 1.00 12.12 ? 159 THR   B N   1 
ATOM   1315 C CA  . THR   A 1 153 ? -22.099 -21.347 -14.591 1.00 12.25 ? 159 THR   B CA  1 
ATOM   1316 C C   . THR   A 1 153 ? -22.886 -22.454 -15.278 1.00 12.12 ? 159 THR   B C   1 
ATOM   1317 O O   . THR   A 1 153 ? -23.267 -23.448 -14.635 1.00 13.12 ? 159 THR   B O   1 
ATOM   1318 C CB  . THR   A 1 153 ? -20.767 -21.872 -14.020 1.00 12.77 ? 159 THR   B CB  1 
ATOM   1319 O OG1 . THR   A 1 153 ? -19.981 -20.757 -13.629 1.00 13.06 ? 159 THR   B OG1 1 
ATOM   1320 C CG2 . THR   A 1 153 ? -19.986 -22.685 -15.029 1.00 14.00 ? 159 THR   B CG2 1 
ATOM   1321 N N   . PHE   A 1 154 ? -23.106 -22.298 -16.597 1.00 12.75 ? 160 PHE   B N   1 
ATOM   1322 C CA  . PHE   A 1 154 ? -23.474 -23.411 -17.498 1.00 12.18 ? 160 PHE   B CA  1 
ATOM   1323 C C   . PHE   A 1 154 ? -22.184 -24.097 -17.942 1.00 13.17 ? 160 PHE   B C   1 
ATOM   1324 O O   . PHE   A 1 154 ? -21.317 -23.425 -18.511 1.00 12.04 ? 160 PHE   B O   1 
ATOM   1325 C CB  . PHE   A 1 154 ? -24.164 -22.919 -18.767 1.00 12.37 ? 160 PHE   B CB  1 
ATOM   1326 C CG  . PHE   A 1 154 ? -25.532 -22.309 -18.604 1.00 10.62 ? 160 PHE   B CG  1 
ATOM   1327 C CD1 . PHE   A 1 154 ? -25.673 -20.949 -18.362 1.00 10.71 ? 160 PHE   B CD1 1 
ATOM   1328 C CD2 . PHE   A 1 154 ? -26.662 -23.062 -18.813 1.00 11.38 ? 160 PHE   B CD2 1 
ATOM   1329 C CE1 . PHE   A 1 154 ? -26.938 -20.376 -18.277 1.00 11.20 ? 160 PHE   B CE1 1 
ATOM   1330 C CE2 . PHE   A 1 154 ? -27.924 -22.483 -18.728 1.00 11.54 ? 160 PHE   B CE2 1 
ATOM   1331 C CZ  . PHE   A 1 154 ? -28.052 -21.142 -18.471 1.00 10.54 ? 160 PHE   B CZ  1 
ATOM   1332 N N   . SER   A 1 155 ? -22.064 -25.383 -17.674 1.00 13.81 ? 161 SER   B N   1 
ATOM   1333 C CA  . SER   A 1 155 ? -20.900 -26.146 -18.143 1.00 15.39 ? 161 SER   B CA  1 
ATOM   1334 C C   . SER   A 1 155 ? -21.367 -27.318 -19.013 1.00 15.81 ? 161 SER   B C   1 
ATOM   1335 O O   . SER   A 1 155 ? -22.569 -27.571 -19.129 1.00 16.83 ? 161 SER   B O   1 
ATOM   1336 C CB  . SER   A 1 155 ? -20.085 -26.532 -16.940 1.00 18.47 ? 161 SER   B CB  1 
ATOM   1337 O OG  . SER   A 1 155 ? -20.735 -27.540 -16.212 1.00 19.27 ? 161 SER   B OG  1 
ATOM   1338 N N   . GLU   A 1 156 ? -20.419 -27.957 -19.699 1.00 18.15 ? 162 GLU   B N   1 
ATOM   1339 C CA  . GLU   A 1 156 ? -20.749 -29.015 -20.692 1.00 19.58 ? 162 GLU   B CA  1 
ATOM   1340 C C   . GLU   A 1 156 ? -21.723 -28.467 -21.746 1.00 18.75 ? 162 GLU   B C   1 
ATOM   1341 O O   . GLU   A 1 156 ? -22.614 -29.218 -22.216 1.00 19.31 ? 162 GLU   B O   1 
ATOM   1342 C CB  . GLU   A 1 156 ? -21.414 -30.218 -20.024 1.00 24.81 ? 162 GLU   B CB  1 
ATOM   1343 C CG  . GLU   A 1 156 ? -20.661 -30.754 -18.834 1.00 30.21 ? 162 GLU   B CG  1 
ATOM   1344 C CD  . GLU   A 1 156 ? -21.304 -32.033 -18.327 1.00 40.75 ? 162 GLU   B CD  1 
ATOM   1345 O OE1 . GLU   A 1 156 ? -22.402 -31.955 -17.723 1.00 43.96 ? 162 GLU   B OE1 1 
ATOM   1346 O OE2 . GLU   A 1 156 ? -20.733 -33.108 -18.590 1.00 50.44 ? 162 GLU   B OE2 1 
ATOM   1347 N N   . CYS   A 1 157 ? -21.561 -27.201 -22.130 1.00 15.84 ? 163 CYS   B N   1 
ATOM   1348 C CA  . CYS   A 1 157 ? -22.459 -26.584 -23.132 1.00 14.76 ? 163 CYS   B CA  1 
ATOM   1349 C C   . CYS   A 1 157 ? -22.207 -27.226 -24.500 1.00 15.59 ? 163 CYS   B C   1 
ATOM   1350 O O   . CYS   A 1 157 ? -21.013 -27.394 -24.883 1.00 17.70 ? 163 CYS   B O   1 
ATOM   1351 C CB  . CYS   A 1 157 ? -22.268 -25.086 -23.266 1.00 14.95 ? 163 CYS   B CB  1 
ATOM   1352 S SG  . CYS   A 1 157 ? -22.645 -24.171 -21.738 1.00 15.30 ? 163 CYS   B SG  1 
ATOM   1353 N N   . VAL   A 1 158 ? -23.274 -27.487 -25.245 1.00 15.67 ? 164 VAL   B N   1 
ATOM   1354 C CA  . VAL   A 1 158 ? -23.127 -27.991 -26.635 1.00 17.34 ? 164 VAL   B CA  1 
ATOM   1355 C C   . VAL   A 1 158 ? -23.569 -26.857 -27.574 1.00 15.59 ? 164 VAL   B C   1 
ATOM   1356 O O   . VAL   A 1 158 ? -24.743 -26.764 -27.957 1.00 18.41 ? 164 VAL   B O   1 
ATOM   1357 C CB  . VAL   A 1 158 ? -23.855 -29.341 -26.802 1.00 19.15 ? 164 VAL   B CB  1 
ATOM   1358 C CG1 . VAL   A 1 158 ? -23.727 -29.857 -28.240 1.00 20.83 ? 164 VAL   B CG1 1 
ATOM   1359 C CG2 . VAL   A 1 158 ? -23.305 -30.375 -25.819 1.00 20.57 ? 164 VAL   B CG2 1 
ATOM   1360 N N   . PHE   A 1 159 ? -22.654 -25.928 -27.884 1.00 14.27 ? 165 PHE   B N   1 
ATOM   1361 C CA  . PHE   A 1 159 ? -22.983 -24.687 -28.624 1.00 14.34 ? 165 PHE   B CA  1 
ATOM   1362 C C   . PHE   A 1 159 ? -23.503 -25.029 -30.021 1.00 16.64 ? 165 PHE   B C   1 
ATOM   1363 O O   . PHE   A 1 159 ? -24.520 -24.467 -30.457 1.00 15.14 ? 165 PHE   B O   1 
ATOM   1364 C CB  . PHE   A 1 159 ? -21.808 -23.726 -28.621 1.00 14.49 ? 165 PHE   B CB  1 
ATOM   1365 C CG  . PHE   A 1 159 ? -21.358 -23.249 -27.271 1.00 14.19 ? 165 PHE   B CG  1 
ATOM   1366 C CD1 . PHE   A 1 159 ? -22.276 -22.737 -26.376 1.00 14.50 ? 165 PHE   B CD1 1 
ATOM   1367 C CD2 . PHE   A 1 159 ? -20.023 -23.287 -26.903 1.00 15.10 ? 165 PHE   B CD2 1 
ATOM   1368 C CE1 . PHE   A 1 159 ? -21.862 -22.273 -25.128 1.00 14.30 ? 165 PHE   B CE1 1 
ATOM   1369 C CE2 . PHE   A 1 159 ? -19.609 -22.783 -25.685 1.00 15.76 ? 165 PHE   B CE2 1 
ATOM   1370 C CZ  . PHE   A 1 159 ? -20.535 -22.307 -24.789 1.00 14.88 ? 165 PHE   B CZ  1 
ATOM   1371 N N   . ALA   A 1 160 ? -22.851 -25.975 -30.690 1.00 15.37 ? 166 ALA   B N   1 
ATOM   1372 C CA  . ALA   A 1 160 ? -23.300 -26.533 -31.988 1.00 16.73 ? 166 ALA   B CA  1 
ATOM   1373 C C   . ALA   A 1 160 ? -23.398 -25.462 -33.077 1.00 15.84 ? 166 ALA   B C   1 
ATOM   1374 O O   . ALA   A 1 160 ? -24.204 -25.652 -34.035 1.00 17.35 ? 166 ALA   B O   1 
ATOM   1375 C CB  . ALA   A 1 160 ? -24.579 -27.280 -31.838 1.00 16.92 ? 166 ALA   B CB  1 
ATOM   1376 N N   . GLY   A 1 161 ? -22.608 -24.402 -32.993 1.00 16.27 ? 167 GLY   B N   1 
ATOM   1377 C CA  . GLY   A 1 161 ? -22.583 -23.317 -33.988 1.00 17.09 ? 167 GLY   B CA  1 
ATOM   1378 C C   . GLY   A 1 161 ? -21.951 -22.044 -33.462 1.00 16.05 ? 167 GLY   B C   1 
ATOM   1379 O O   . GLY   A 1 161 ? -21.547 -21.976 -32.289 1.00 15.47 ? 167 GLY   B O   1 
ATOM   1380 N N   . PRO   A 1 162 ? -21.873 -21.003 -34.301 1.00 14.52 ? 168 PRO   B N   1 
ATOM   1381 C CA  . PRO   A 1 162 ? -21.407 -19.702 -33.860 1.00 14.30 ? 168 PRO   B CA  1 
ATOM   1382 C C   . PRO   A 1 162 ? -22.376 -19.178 -32.790 1.00 14.61 ? 168 PRO   B C   1 
ATOM   1383 O O   . PRO   A 1 162 ? -23.579 -19.455 -32.852 1.00 14.39 ? 168 PRO   B O   1 
ATOM   1384 C CB  . PRO   A 1 162 ? -21.386 -18.818 -35.111 1.00 14.89 ? 168 PRO   B CB  1 
ATOM   1385 C CG  . PRO   A 1 162 ? -21.489 -19.818 -36.268 1.00 14.45 ? 168 PRO   B CG  1 
ATOM   1386 C CD  . PRO   A 1 162 ? -22.247 -21.004 -35.724 1.00 14.44 ? 168 PRO   B CD  1 
ATOM   1387 N N   . LEU   A 1 163 ? -21.819 -18.425 -31.861 1.00 13.97 ? 169 LEU   B N   1 
ATOM   1388 C CA  . LEU   A 1 163 ? -22.591 -17.796 -30.748 1.00 13.27 ? 169 LEU   B CA  1 
ATOM   1389 C C   . LEU   A 1 163 ? -22.690 -16.295 -30.981 1.00 13.94 ? 169 LEU   B C   1 
ATOM   1390 O O   . LEU   A 1 163 ? -21.748 -15.643 -31.479 1.00 14.75 ? 169 LEU   B O   1 
ATOM   1391 C CB  . LEU   A 1 163 ? -21.892 -18.031 -29.412 1.00 13.54 ? 169 LEU   B CB  1 
ATOM   1392 C CG  . LEU   A 1 163 ? -21.915 -19.462 -28.866 1.00 13.41 ? 169 LEU   B CG  1 
ATOM   1393 C CD1 . LEU   A 1 163 ? -21.098 -19.520 -27.588 1.00 14.47 ? 169 LEU   B CD1 1 
ATOM   1394 C CD2 . LEU   A 1 163 ? -23.335 -19.956 -28.626 1.00 14.92 ? 169 LEU   B CD2 1 
ATOM   1395 N N   . ARG   A 1 164 ? -23.837 -15.724 -30.597 1.00 13.42 ? 170 ARG   B N   1 
ATOM   1396 C CA  . ARG   A 1 164 ? -24.059 -14.271 -30.596 1.00 12.93 ? 170 ARG   B CA  1 
ATOM   1397 C C   . ARG   A 1 164 ? -24.479 -13.801 -29.205 1.00 11.23 ? 170 ARG   B C   1 
ATOM   1398 O O   . ARG   A 1 164 ? -25.229 -14.486 -28.508 1.00 12.36 ? 170 ARG   B O   1 
ATOM   1399 C CB  . ARG   A 1 164 ? -25.123 -13.904 -31.624 1.00 14.21 ? 170 ARG   B CB  1 
ATOM   1400 C CG  . ARG   A 1 164 ? -24.637 -14.302 -33.019 1.00 15.97 ? 170 ARG   B CG  1 
ATOM   1401 C CD  . ARG   A 1 164 ? -25.522 -13.919 -34.166 1.00 20.42 ? 170 ARG   B CD  1 
ATOM   1402 N NE  . ARG   A 1 164 ? -25.560 -12.481 -34.263 1.00 18.54 ? 170 ARG   B NE  1 
ATOM   1403 C CZ  . ARG   A 1 164 ? -26.269 -11.842 -35.179 1.00 17.77 ? 170 ARG   B CZ  1 
ATOM   1404 N NH1 . ARG   A 1 164 ? -26.887 -12.550 -36.101 1.00 18.11 ? 170 ARG   B NH1 1 
ATOM   1405 N NH2 . ARG   A 1 164 ? -26.282 -10.515 -35.202 1.00 17.92 ? 170 ARG   B NH2 1 
ATOM   1406 N N   . PRO   A 1 165 ? -24.028 -12.618 -28.755 1.00 11.72 ? 171 PRO   B N   1 
ATOM   1407 C CA  . PRO   A 1 165 ? -24.585 -12.029 -27.525 1.00 11.48 ? 171 PRO   B CA  1 
ATOM   1408 C C   . PRO   A 1 165 ? -26.106 -11.895 -27.683 1.00 12.08 ? 171 PRO   B C   1 
ATOM   1409 O O   . PRO   A 1 165 ? -26.581 -11.561 -28.747 1.00 11.71 ? 171 PRO   B O   1 
ATOM   1410 C CB  . PRO   A 1 165 ? -23.890 -10.670 -27.396 1.00 11.94 ? 171 PRO   B CB  1 
ATOM   1411 C CG  . PRO   A 1 165 ? -22.615 -10.841 -28.220 1.00 13.10 ? 171 PRO   B CG  1 
ATOM   1412 C CD  . PRO   A 1 165 ? -23.032 -11.737 -29.371 1.00 13.41 ? 171 PRO   B CD  1 
ATOM   1413 N N   . PHE   A 1 166 ? -26.855 -12.154 -26.611 1.00 10.75 ? 172 PHE   B N   1 
ATOM   1414 C CA  . PHE   A 1 166 ? -28.334 -12.177 -26.617 1.00 11.13 ? 172 PHE   B CA  1 
ATOM   1415 C C   . PHE   A 1 166 ? -28.873 -11.244 -25.517 1.00 10.58 ? 172 PHE   B C   1 
ATOM   1416 O O   . PHE   A 1 166 ? -28.370 -11.223 -24.349 1.00 10.82 ? 172 PHE   B O   1 
ATOM   1417 C CB  . PHE   A 1 166 ? -28.821 -13.601 -26.392 1.00 11.65 ? 172 PHE   B CB  1 
ATOM   1418 C CG  . PHE   A 1 166 ? -30.313 -13.697 -26.169 1.00 11.69 ? 172 PHE   B CG  1 
ATOM   1419 C CD1 . PHE   A 1 166 ? -31.174 -13.684 -27.253 1.00 12.45 ? 172 PHE   B CD1 1 
ATOM   1420 C CD2 . PHE   A 1 166 ? -30.865 -13.748 -24.898 1.00 12.06 ? 172 PHE   B CD2 1 
ATOM   1421 C CE1 . PHE   A 1 166 ? -32.549 -13.760 -27.071 1.00 12.87 ? 172 PHE   B CE1 1 
ATOM   1422 C CE2 . PHE   A 1 166 ? -32.247 -13.795 -24.710 1.00 11.90 ? 172 PHE   B CE2 1 
ATOM   1423 C CZ  . PHE   A 1 166 ? -33.074 -13.804 -25.802 1.00 12.21 ? 172 PHE   B CZ  1 
ATOM   1424 N N   . PHE   A 1 167 ? -29.936 -10.514 -25.838 1.00 10.82 ? 173 PHE   B N   1 
ATOM   1425 C CA  . PHE   A 1 167 ? -30.534 -9.468  -24.974 1.00 10.36 ? 173 PHE   B CA  1 
ATOM   1426 C C   . PHE   A 1 167 ? -32.056 -9.526  -25.087 1.00 11.70 ? 173 PHE   B C   1 
ATOM   1427 O O   . PHE   A 1 167 ? -32.578 -9.617  -26.228 1.00 12.13 ? 173 PHE   B O   1 
ATOM   1428 C CB  . PHE   A 1 167 ? -30.076 -8.054  -25.360 1.00 11.11 ? 173 PHE   B CB  1 
ATOM   1429 C CG  . PHE   A 1 167 ? -28.572 -7.895  -25.449 1.00 10.79 ? 173 PHE   B CG  1 
ATOM   1430 C CD1 . PHE   A 1 167 ? -27.917 -8.210  -26.625 1.00 11.33 ? 173 PHE   B CD1 1 
ATOM   1431 C CD2 . PHE   A 1 167 ? -27.812 -7.457  -24.368 1.00 11.83 ? 173 PHE   B CD2 1 
ATOM   1432 C CE1 . PHE   A 1 167 ? -26.536 -8.123  -26.740 1.00 11.86 ? 173 PHE   B CE1 1 
ATOM   1433 C CE2 . PHE   A 1 167 ? -26.439 -7.313  -24.506 1.00 12.66 ? 173 PHE   B CE2 1 
ATOM   1434 C CZ  . PHE   A 1 167 ? -25.803 -7.672  -25.679 1.00 12.54 ? 173 PHE   B CZ  1 
ATOM   1435 N N   . ASN   A 1 168 ? -32.727 -9.373  -23.950 1.00 11.74 ? 174 ASN   B N   1 
ATOM   1436 C CA  . ASN   A 1 168 ? -34.183 -9.098  -23.926 1.00 11.57 ? 174 ASN   B CA  1 
ATOM   1437 C C   . ASN   A 1 168 ? -34.422 -7.948  -22.946 1.00 12.05 ? 174 ASN   B C   1 
ATOM   1438 O O   . ASN   A 1 168 ? -34.105 -8.088  -21.759 1.00 11.90 ? 174 ASN   B O   1 
ATOM   1439 C CB  . ASN   A 1 168 ? -34.978 -10.343 -23.521 1.00 11.57 ? 174 ASN   B CB  1 
ATOM   1440 C CG  . ASN   A 1 168 ? -36.468 -10.163 -23.609 1.00 13.01 ? 174 ASN   B CG  1 
ATOM   1441 O OD1 . ASN   A 1 168 ? -36.953 -9.080  -23.890 1.00 13.53 ? 174 ASN   B OD1 1 
ATOM   1442 N ND2 . ASN   A 1 168 ? -37.198 -11.253 -23.388 1.00 14.09 ? 174 ASN   B ND2 1 
ATOM   1443 N N   . VAL   A 1 169 ? -34.919 -6.801  -23.424 1.00 11.40 ? 175 VAL   B N   1 
ATOM   1444 C CA  . VAL   A 1 169 ? -35.182 -5.631  -22.531 1.00 11.92 ? 175 VAL   B CA  1 
ATOM   1445 C C   . VAL   A 1 169 ? -36.446 -5.876  -21.681 1.00 12.82 ? 175 VAL   B C   1 
ATOM   1446 O O   . VAL   A 1 169 ? -36.708 -5.068  -20.747 1.00 13.46 ? 175 VAL   B O   1 
ATOM   1447 C CB  . VAL   A 1 169 ? -35.303 -4.303  -23.295 1.00 13.72 ? 175 VAL   B CB  1 
ATOM   1448 C CG1 . VAL   A 1 169 ? -33.994 -3.990  -23.948 1.00 14.63 ? 175 VAL   B CG1 1 
ATOM   1449 C CG2 . VAL   A 1 169 ? -36.476 -4.294  -24.305 1.00 13.02 ? 175 VAL   B CG2 1 
ATOM   1450 N N   . GLY   A 1 170 ? -37.261 -6.865  -22.068 1.00 12.60 ? 176 GLY   B N   1 
ATOM   1451 C CA  . GLY   A 1 170 ? -38.545 -7.151  -21.408 1.00 12.93 ? 176 GLY   B CA  1 
ATOM   1452 C C   . GLY   A 1 170 ? -39.660 -6.201  -21.798 1.00 12.31 ? 176 GLY   B C   1 
ATOM   1453 O O   . GLY   A 1 170 ? -39.409 -5.131  -22.370 1.00 12.49 ? 176 GLY   B O   1 
ATOM   1454 N N   . PHE   A 1 171 ? -40.891 -6.625  -21.553 1.00 13.56 ? 177 PHE   B N   1 
ATOM   1455 C CA  . PHE   A 1 171 ? -42.097 -5.790  -21.745 1.00 14.32 ? 177 PHE   B CA  1 
ATOM   1456 C C   . PHE   A 1 171 ? -42.118 -4.704  -20.679 1.00 14.13 ? 177 PHE   B C   1 
ATOM   1457 O O   . PHE   A 1 171 ? -41.355 -4.756  -19.686 1.00 13.41 ? 177 PHE   B O   1 
ATOM   1458 C CB  . PHE   A 1 171 ? -43.367 -6.645  -21.763 1.00 14.92 ? 177 PHE   B CB  1 
ATOM   1459 C CG  . PHE   A 1 171 ? -43.487 -7.509  -22.995 1.00 15.45 ? 177 PHE   B CG  1 
ATOM   1460 C CD1 . PHE   A 1 171 ? -43.841 -6.971  -24.220 1.00 16.73 ? 177 PHE   B CD1 1 
ATOM   1461 C CD2 . PHE   A 1 171 ? -43.276 -8.876  -22.916 1.00 15.76 ? 177 PHE   B CD2 1 
ATOM   1462 C CE1 . PHE   A 1 171 ? -43.923 -7.785  -25.353 1.00 16.99 ? 177 PHE   B CE1 1 
ATOM   1463 C CE2 . PHE   A 1 171 ? -43.383 -9.679  -24.039 1.00 16.93 ? 177 PHE   B CE2 1 
ATOM   1464 C CZ  . PHE   A 1 171 ? -43.718 -9.135  -25.246 1.00 16.50 ? 177 PHE   B CZ  1 
ATOM   1465 N N   . ASN   A 1 172 ? -43.005 -3.748  -20.869 1.00 14.26 ? 178 ASN   B N   1 
ATOM   1466 C CA  . ASN   A 1 172 ? -43.188 -2.654  -19.889 1.00 13.50 ? 178 ASN   B CA  1 
ATOM   1467 C C   . ASN   A 1 172 ? -44.703 -2.459  -19.687 1.00 14.62 ? 178 ASN   B C   1 
ATOM   1468 O O   . ASN   A 1 172 ? -45.204 -1.313  -19.792 1.00 15.58 ? 178 ASN   B O   1 
ATOM   1469 C CB  . ASN   A 1 172 ? -42.456 -1.402  -20.359 1.00 14.72 ? 178 ASN   B CB  1 
ATOM   1470 C CG  . ASN   A 1 172 ? -42.537 -0.283  -19.358 1.00 15.23 ? 178 ASN   B CG  1 
ATOM   1471 O OD1 . ASN   A 1 172 ? -42.575 -0.530  -18.162 1.00 14.79 ? 178 ASN   B OD1 1 
ATOM   1472 N ND2 . ASN   A 1 172 ? -42.533 0.958   -19.841 1.00 16.42 ? 178 ASN   B ND2 1 
ATOM   1473 N N   . TYR   A 1 173 ? -45.402 -3.519  -19.337 1.00 15.53 ? 179 TYR   B N   1 
ATOM   1474 C CA  . TYR   A 1 173 ? -46.846 -3.429  -18.954 1.00 15.53 ? 179 TYR   B CA  1 
ATOM   1475 C C   . TYR   A 1 173 ? -46.997 -2.559  -17.702 1.00 17.12 ? 179 TYR   B C   1 
ATOM   1476 O O   . TYR   A 1 173 ? -48.062 -1.883  -17.514 1.00 17.71 ? 179 TYR   B O   1 
ATOM   1477 C CB  . TYR   A 1 173 ? -47.426 -4.828  -18.725 1.00 15.76 ? 179 TYR   B CB  1 
ATOM   1478 C CG  . TYR   A 1 173 ? -47.520 -5.694  -19.953 1.00 17.35 ? 179 TYR   B CG  1 
ATOM   1479 C CD1 . TYR   A 1 173 ? -48.530 -5.503  -20.878 1.00 20.98 ? 179 TYR   B CD1 1 
ATOM   1480 C CD2 . TYR   A 1 173 ? -46.631 -6.734  -20.153 1.00 20.56 ? 179 TYR   B CD2 1 
ATOM   1481 C CE1 . TYR   A 1 173 ? -48.620 -6.282  -22.023 1.00 22.25 ? 179 TYR   B CE1 1 
ATOM   1482 C CE2 . TYR   A 1 173 ? -46.696 -7.511  -21.310 1.00 20.43 ? 179 TYR   B CE2 1 
ATOM   1483 C CZ  . TYR   A 1 173 ? -47.691 -7.286  -22.237 1.00 23.58 ? 179 TYR   B CZ  1 
ATOM   1484 O OH  . TYR   A 1 173 ? -47.773 -8.085  -23.347 1.00 27.49 ? 179 TYR   B OH  1 
ATOM   1485 N N   . SER   A 1 174 ? -46.020 -2.574  -16.790 1.00 16.62 ? 180 SER   B N   1 
ATOM   1486 C CA  . SER   A 1 174 ? -46.152 -2.005  -15.419 1.00 17.16 ? 180 SER   B CA  1 
ATOM   1487 C C   . SER   A 1 174 ? -45.833 -0.501  -15.410 1.00 17.69 ? 180 SER   B C   1 
ATOM   1488 O O   . SER   A 1 174 ? -46.079 0.147   -14.374 1.00 17.47 ? 180 SER   B O   1 
ATOM   1489 C CB  . SER   A 1 174 ? -45.198 -2.648  -14.440 1.00 18.27 ? 180 SER   B CB  1 
ATOM   1490 O OG  . SER   A 1 174 ? -43.830 -2.429  -14.851 1.00 18.86 ? 180 SER   B OG  1 
ATOM   1491 N N   . GLY   A 1 175 ? -45.122 -0.015  -16.418 1.00 15.79 ? 181 GLY   B N   1 
ATOM   1492 C CA  . GLY   A 1 175 ? -44.555 1.348   -16.406 1.00 16.54 ? 181 GLY   B CA  1 
ATOM   1493 C C   . GLY   A 1 175 ? -43.299 1.455   -15.589 1.00 18.42 ? 181 GLY   B C   1 
ATOM   1494 O O   . GLY   A 1 175 ? -42.753 2.579   -15.512 1.00 21.41 ? 181 GLY   B O   1 
ATOM   1495 N N   . GLY   A 1 176 ? -42.814 0.347   -15.005 1.00 16.14 ? 182 GLY   B N   1 
ATOM   1496 C CA  . GLY   A 1 176 ? -41.594 0.368   -14.189 1.00 16.03 ? 182 GLY   B CA  1 
ATOM   1497 C C   . GLY   A 1 176 ? -40.405 -0.286  -14.896 1.00 15.56 ? 182 GLY   B C   1 
ATOM   1498 O O   . GLY   A 1 176 ? -39.350 -0.403  -14.223 1.00 15.88 ? 182 GLY   B O   1 
ATOM   1499 N N   . ASN   A 1 177 ? -40.548 -0.656  -16.175 1.00 12.93 ? 183 ASN   B N   1 
ATOM   1500 C CA  . ASN   A 1 177 ? -39.457 -1.367  -16.886 1.00 13.48 ? 183 ASN   B CA  1 
ATOM   1501 C C   . ASN   A 1 177 ? -39.004 -0.651  -18.170 1.00 14.19 ? 183 ASN   B C   1 
ATOM   1502 O O   . ASN   A 1 177 ? -38.472 -1.332  -19.063 1.00 13.64 ? 183 ASN   B O   1 
ATOM   1503 C CB  . ASN   A 1 177 ? -39.837 -2.820  -17.166 1.00 13.37 ? 183 ASN   B CB  1 
ATOM   1504 C CG  . ASN   A 1 177 ? -38.621 -3.654  -17.511 1.00 13.04 ? 183 ASN   B CG  1 
ATOM   1505 O OD1 . ASN   A 1 177 ? -37.591 -3.526  -16.865 1.00 13.28 ? 183 ASN   B OD1 1 
ATOM   1506 N ND2 . ASN   A 1 177 ? -38.794 -4.579  -18.440 1.00 12.96 ? 183 ASN   B ND2 1 
ATOM   1507 N N   . ALA   A 1 178 ? -39.079 0.670   -18.234 1.00 14.36 ? 184 ALA   B N   1 
ATOM   1508 C CA  . ALA   A 1 178 ? -38.707 1.401   -19.466 1.00 15.45 ? 184 ALA   B CA  1 
ATOM   1509 C C   . ALA   A 1 178 ? -37.189 1.516   -19.611 1.00 15.18 ? 184 ALA   B C   1 
ATOM   1510 O O   . ALA   A 1 178 ? -36.768 1.790   -20.764 1.00 16.97 ? 184 ALA   B O   1 
ATOM   1511 C CB  . ALA   A 1 178 ? -39.349 2.778   -19.458 1.00 16.19 ? 184 ALA   B CB  1 
ATOM   1512 N N   . ALA   A 1 179 ? -36.422 1.353   -18.531 1.00 15.69 ? 185 ALA   B N   1 
ATOM   1513 C CA  . ALA   A 1 179 ? -34.968 1.656   -18.576 1.00 15.04 ? 185 ALA   B CA  1 
ATOM   1514 C C   . ALA   A 1 179 ? -34.274 0.759   -19.612 1.00 16.22 ? 185 ALA   B C   1 
ATOM   1515 O O   . ALA   A 1 179 ? -34.669 -0.384  -19.864 1.00 13.70 ? 185 ALA   B O   1 
ATOM   1516 C CB  . ALA   A 1 179 ? -34.305 1.537   -17.242 1.00 15.47 ? 185 ALA   B CB  1 
ATOM   1517 N N   . PRO   A 1 180 ? -33.208 1.277   -20.261 1.00 14.63 ? 186 PRO   B N   1 
ATOM   1518 C CA  . PRO   A 1 180 ? -32.465 0.513   -21.263 1.00 13.62 ? 186 PRO   B CA  1 
ATOM   1519 C C   . PRO   A 1 180 ? -31.539 -0.568  -20.669 1.00 13.19 ? 186 PRO   B C   1 
ATOM   1520 O O   . PRO   A 1 180 ? -31.195 -0.501  -19.480 1.00 13.65 ? 186 PRO   B O   1 
ATOM   1521 C CB  . PRO   A 1 180 ? -31.604 1.588   -21.932 1.00 14.50 ? 186 PRO   B CB  1 
ATOM   1522 C CG  . PRO   A 1 180 ? -31.356 2.603   -20.858 1.00 16.15 ? 186 PRO   B CG  1 
ATOM   1523 C CD  . PRO   A 1 180 ? -32.681 2.651   -20.109 1.00 16.25 ? 186 PRO   B CD  1 
ATOM   1524 N N   . LEU   A 1 181 ? -31.138 -1.529  -21.513 1.00 12.90 ? 187 LEU   B N   1 
ATOM   1525 C CA  . LEU   A 1 181 ? -29.903 -2.310  -21.342 1.00 12.65 ? 187 LEU   B CA  1 
ATOM   1526 C C   . LEU   A 1 181 ? -28.770 -1.482  -21.968 1.00 12.80 ? 187 LEU   B C   1 
ATOM   1527 O O   . LEU   A 1 181 ? -28.942 -0.998  -23.109 1.00 14.41 ? 187 LEU   B O   1 
ATOM   1528 C CB  . LEU   A 1 181 ? -30.071 -3.675  -22.002 1.00 13.80 ? 187 LEU   B CB  1 
ATOM   1529 C CG  . LEU   A 1 181 ? -31.101 -4.606  -21.357 1.00 14.37 ? 187 LEU   B CG  1 
ATOM   1530 C CD1 . LEU   A 1 181 ? -31.238 -5.899  -22.159 1.00 14.90 ? 187 LEU   B CD1 1 
ATOM   1531 C CD2 . LEU   A 1 181 ? -30.724 -4.926  -19.918 1.00 16.01 ? 187 LEU   B CD2 1 
ATOM   1532 N N   . LYS   A 1 182 ? -27.634 -1.381  -21.299 1.00 13.46 ? 188 LYS   B N   1 
ATOM   1533 C CA  . LYS   A 1 182 ? -26.467 -0.662  -21.867 1.00 14.68 ? 188 LYS   B CA  1 
ATOM   1534 C C   . LYS   A 1 182 ? -25.235 -1.539  -21.818 1.00 14.94 ? 188 LYS   B C   1 
ATOM   1535 O O   . LYS   A 1 182 ? -24.953 -2.083  -20.756 1.00 14.92 ? 188 LYS   B O   1 
ATOM   1536 C CB  . LYS   A 1 182 ? -26.189 0.612   -21.083 1.00 17.03 ? 188 LYS   B CB  1 
ATOM   1537 C CG  . LYS   A 1 182 ? -27.358 1.548   -20.903 1.00 20.15 ? 188 LYS   B CG  1 
ATOM   1538 C CD  . LYS   A 1 182 ? -26.907 2.828   -20.204 1.00 24.27 ? 188 LYS   B CD  1 
ATOM   1539 C CE  . LYS   A 1 182 ? -28.059 3.692   -19.740 1.00 29.80 ? 188 LYS   B CE  1 
ATOM   1540 N NZ  . LYS   A 1 182 ? -27.586 4.822   -18.896 1.00 34.66 ? 188 LYS   B NZ  1 
ATOM   1541 N N   . LEU   A 1 183 ? -24.493 -1.611  -22.899 1.00 15.13 ? 189 LEU   B N   1 
ATOM   1542 C CA  . LEU   A 1 183 ? -23.152 -2.260  -22.858 1.00 15.41 ? 189 LEU   B CA  1 
ATOM   1543 C C   . LEU   A 1 183 ? -22.170 -1.306  -22.175 1.00 16.89 ? 189 LEU   B C   1 
ATOM   1544 O O   . LEU   A 1 183 ? -21.994 -0.170  -22.663 1.00 20.99 ? 189 LEU   B O   1 
ATOM   1545 C CB  . LEU   A 1 183 ? -22.758 -2.660  -24.278 1.00 16.21 ? 189 LEU   B CB  1 
ATOM   1546 C CG  . LEU   A 1 183 ? -23.530 -3.900  -24.743 1.00 16.63 ? 189 LEU   B CG  1 
ATOM   1547 C CD1 . LEU   A 1 183 ? -23.798 -3.950  -26.228 1.00 22.33 ? 189 LEU   B CD1 1 
ATOM   1548 C CD2 . LEU   A 1 183 ? -22.872 -5.182  -24.217 1.00 14.67 ? 189 LEU   B CD2 1 
ATOM   1549 N N   . CYS   A 1 184 ? -21.580 -1.744  -21.060 1.00 17.23 ? 190 CYS   B N   1 
ATOM   1550 C CA  . CYS   A 1 184 ? -20.643 -0.913  -20.243 1.00 19.30 ? 190 CYS   B CA  1 
ATOM   1551 C C   . CYS   A 1 184 ? -19.287 -0.807  -20.914 1.00 21.97 ? 190 CYS   B C   1 
ATOM   1552 O O   . CYS   A 1 184 ? -18.787 -1.746  -21.509 1.00 21.56 ? 190 CYS   B O   1 
ATOM   1553 C CB  . CYS   A 1 184 ? -20.357 -1.538  -18.892 1.00 20.73 ? 190 CYS   B CB  1 
ATOM   1554 S SG  . CYS   A 1 184 ? -21.824 -2.083  -18.015 1.00 22.35 ? 190 CYS   B SG  1 
ATOM   1555 N N   . PRO   A 1 185 ? -18.621 0.356   -20.801 1.00 27.57 ? 191 PRO   B N   1 
ATOM   1556 C CA  . PRO   A 1 185 ? -17.274 0.496   -21.323 1.00 29.49 ? 191 PRO   B CA  1 
ATOM   1557 C C   . PRO   A 1 185 ? -16.296 -0.428  -20.583 1.00 27.99 ? 191 PRO   B C   1 
ATOM   1558 O O   . PRO   A 1 185 ? -16.523 -0.769  -19.444 1.00 29.59 ? 191 PRO   B O   1 
ATOM   1559 C CB  . PRO   A 1 185 ? -16.989 2.002   -21.116 1.00 30.98 ? 191 PRO   B CB  1 
ATOM   1560 C CG  . PRO   A 1 185 ? -17.883 2.416   -19.978 1.00 31.68 ? 191 PRO   B CG  1 
ATOM   1561 C CD  . PRO   A 1 185 ? -19.131 1.579   -20.157 1.00 29.26 ? 191 PRO   B CD  1 
ATOM   1562 N N   . LEU   A 1 186 ? -15.283 -0.858  -21.325 1.00 32.60 ? 192 LEU   B N   1 
ATOM   1563 C CA  . LEU   A 1 186 ? -14.049 -1.559  -20.890 1.00 39.26 ? 192 LEU   B CA  1 
ATOM   1564 C C   . LEU   A 1 186 ? -13.246 -0.670  -19.938 1.00 43.96 ? 192 LEU   B C   1 
ATOM   1565 O O   . LEU   A 1 186 ? -12.413 -1.252  -19.222 1.00 49.55 ? 192 LEU   B O   1 
ATOM   1566 C CB  . LEU   A 1 186 ? -13.232 -1.871  -22.149 1.00 40.84 ? 192 LEU   B CB  1 
HETATM 1567 C C10 . A1BFK B 2 .   ? -47.432 -5.125  -25.859 0.68 30.00 ? 201 A1BFK B C10 1 
HETATM 1568 N N12 . A1BFK B 2 .   ? -46.382 -3.328  -24.414 0.68 29.97 ? 201 A1BFK B N12 1 
HETATM 1569 C C13 . A1BFK B 2 .   ? -45.696 -2.797  -25.639 0.68 30.08 ? 201 A1BFK B C13 1 
HETATM 1570 C C01 . A1BFK B 2 .   ? -45.815 -9.209  -30.783 0.68 38.15 ? 201 A1BFK B C01 1 
HETATM 1571 C C03 . A1BFK B 2 .   ? -43.709 -8.017  -29.992 0.68 35.98 ? 201 A1BFK B C03 1 
HETATM 1572 C C04 . A1BFK B 2 .   ? -46.001 -7.059  -29.485 0.68 35.19 ? 201 A1BFK B C04 1 
HETATM 1573 C C07 . A1BFK B 2 .   ? -46.753 -5.487  -28.179 0.68 32.15 ? 201 A1BFK B C07 1 
HETATM 1574 C C09 . A1BFK B 2 .   ? -46.884 -4.445  -27.061 0.68 30.77 ? 201 A1BFK B C09 1 
HETATM 1575 C C11 . A1BFK B 2 .   ? -47.597 -4.158  -24.695 0.68 28.70 ? 201 A1BFK B C11 1 
HETATM 1576 C C14 . A1BFK B 2 .   ? -45.556 -3.844  -26.727 0.68 30.78 ? 201 A1BFK B C14 1 
HETATM 1577 N N02 . A1BFK B 2 .   ? -45.167 -8.094  -30.080 0.68 35.65 ? 201 A1BFK B N02 1 
HETATM 1578 N N05 . A1BFK B 2 .   ? -47.200 -6.705  -29.904 0.68 37.34 ? 201 A1BFK B N05 1 
HETATM 1579 N N08 . A1BFK B 2 .   ? -45.698 -6.296  -28.405 0.68 32.05 ? 201 A1BFK B N08 1 
HETATM 1580 O O06 . A1BFK B 2 .   ? -47.652 -5.719  -29.085 0.68 33.11 ? 201 A1BFK B O06 1 
HETATM 1581 C C1  . EDO   C 3 .   ? -50.588 -16.883 -33.337 1.00 41.11 ? 202 EDO   B C1  1 
HETATM 1582 O O1  . EDO   C 3 .   ? -49.262 -16.406 -33.217 1.00 33.88 ? 202 EDO   B O1  1 
HETATM 1583 C C2  . EDO   C 3 .   ? -51.276 -17.005 -32.046 1.00 39.32 ? 202 EDO   B C2  1 
HETATM 1584 O O2  . EDO   C 3 .   ? -51.394 -15.760 -31.410 1.00 46.78 ? 202 EDO   B O2  1 
HETATM 1585 S S   . SO4   D 4 .   ? -40.493 -24.682 -26.329 1.00 40.20 ? 203 SO4   B S   1 
HETATM 1586 O O1  . SO4   D 4 .   ? -39.768 -23.728 -27.133 1.00 26.39 ? 203 SO4   B O1  1 
HETATM 1587 O O2  . SO4   D 4 .   ? -41.335 -25.471 -27.174 1.00 43.38 ? 203 SO4   B O2  1 
HETATM 1588 O O3  . SO4   D 4 .   ? -39.550 -25.556 -25.663 1.00 46.29 ? 203 SO4   B O3  1 
HETATM 1589 O O4  . SO4   D 4 .   ? -41.299 -24.023 -25.322 1.00 41.06 ? 203 SO4   B O4  1 
HETATM 1590 O O   . HOH   E 5 .   ? -44.706 -3.372  -22.960 0.68 23.98 ? 301 HOH   B O   1 
HETATM 1591 O O   . HOH   E 5 .   ? -26.918 -28.536 -27.924 1.00 25.41 ? 302 HOH   B O   1 
HETATM 1592 O O   . HOH   E 5 .   ? -33.831 5.016   -16.918 1.00 47.68 ? 303 HOH   B O   1 
HETATM 1593 O O   . HOH   E 5 .   ? -38.847 -15.499 -11.796 1.00 33.30 ? 304 HOH   B O   1 
HETATM 1594 O O   . HOH   E 5 .   ? -36.276 5.465   -15.799 1.00 29.34 ? 305 HOH   B O   1 
HETATM 1595 O O   . HOH   E 5 .   ? -45.938 3.631   -34.409 1.00 30.97 ? 306 HOH   B O   1 
HETATM 1596 O O   . HOH   E 5 .   ? -22.836 -1.837  -9.837  1.00 27.31 ? 307 HOH   B O   1 
HETATM 1597 O O   . HOH   E 5 .   ? -29.699 -12.625 -37.828 1.00 22.42 ? 308 HOH   B O   1 
HETATM 1598 O O   . HOH   E 5 .   ? -13.498 -23.631 -31.619 1.00 17.26 ? 309 HOH   B O   1 
HETATM 1599 O O   . HOH   E 5 .   ? -45.143 7.665   -24.628 1.00 34.79 ? 310 HOH   B O   1 
HETATM 1600 O O   . HOH   E 5 .   ? -15.622 -5.287  -13.892 1.00 34.01 ? 311 HOH   B O   1 
HETATM 1601 O O   . HOH   E 5 .   ? -24.465 -31.005 -22.148 1.00 37.66 ? 312 HOH   B O   1 
HETATM 1602 O O   . HOH   E 5 .   ? -45.524 0.098   -11.842 1.00 34.35 ? 313 HOH   B O   1 
HETATM 1603 O O   . HOH   E 5 .   ? -37.564 -25.305 -11.563 1.00 39.30 ? 314 HOH   B O   1 
HETATM 1604 O O   . HOH   E 5 .   ? -33.082 0.958   -33.641 1.00 19.31 ? 315 HOH   B O   1 
HETATM 1605 O O   . HOH   E 5 .   ? -38.556 0.505   -11.921 1.00 36.20 ? 316 HOH   B O   1 
HETATM 1606 O O   . HOH   E 5 .   ? -40.190 -1.199  -9.812  1.00 34.61 ? 317 HOH   B O   1 
HETATM 1607 O O   . HOH   E 5 .   ? -18.767 -22.079 -35.818 1.00 16.71 ? 318 HOH   B O   1 
HETATM 1608 O O   . HOH   E 5 .   ? -36.859 -16.427 -39.473 1.00 27.58 ? 319 HOH   B O   1 
HETATM 1609 O O   . HOH   E 5 .   ? -19.454 -29.746 -15.633 1.00 30.01 ? 320 HOH   B O   1 
HETATM 1610 O O   . HOH   E 5 .   ? -47.195 -17.053 -31.749 1.00 21.21 ? 321 HOH   B O   1 
HETATM 1611 O O   . HOH   E 5 .   ? -41.383 -8.032  -3.559  1.00 48.13 ? 322 HOH   B O   1 
HETATM 1612 O O   . HOH   E 5 .   ? -30.992 -6.739  -11.322 1.00 16.31 ? 323 HOH   B O   1 
HETATM 1613 O O   . HOH   E 5 .   ? -16.290 -19.611 -15.700 1.00 26.19 ? 324 HOH   B O   1 
HETATM 1614 O O   . HOH   E 5 .   ? -45.189 -12.539 -26.662 1.00 33.25 ? 325 HOH   B O   1 
HETATM 1615 O O   . HOH   E 5 .   ? -12.847 -21.306 -18.754 1.00 30.66 ? 326 HOH   B O   1 
HETATM 1616 O O   . HOH   E 5 .   ? -26.414 3.405   -35.389 1.00 30.37 ? 327 HOH   B O   1 
HETATM 1617 O O   . HOH   E 5 .   ? -35.970 -22.661 -19.657 1.00 24.38 ? 328 HOH   B O   1 
HETATM 1618 O O   . HOH   E 5 .   ? -38.098 2.750   -22.840 1.00 23.31 ? 329 HOH   B O   1 
HETATM 1619 O O   . HOH   E 5 .   ? -25.918 -22.703 -35.772 1.00 32.81 ? 330 HOH   B O   1 
HETATM 1620 O O   . HOH   E 5 .   ? -49.869 -1.613  -19.439 1.00 31.57 ? 331 HOH   B O   1 
HETATM 1621 O O   . HOH   E 5 .   ? -46.999 1.094   -25.903 1.00 36.15 ? 332 HOH   B O   1 
HETATM 1622 O O   . HOH   E 5 .   ? -38.502 3.639   -42.302 1.00 31.35 ? 333 HOH   B O   1 
HETATM 1623 O O   . HOH   E 5 .   ? -26.654 1.999   -11.308 1.00 27.77 ? 334 HOH   B O   1 
HETATM 1624 O O   . HOH   E 5 .   ? -36.892 -25.934 -23.733 1.00 35.13 ? 335 HOH   B O   1 
HETATM 1625 O O   . HOH   E 5 .   ? -36.589 -23.114 -30.838 1.00 37.86 ? 336 HOH   B O   1 
HETATM 1626 O O   . HOH   E 5 .   ? -32.732 -18.237 -37.272 1.00 32.83 ? 337 HOH   B O   1 
HETATM 1627 O O   . HOH   E 5 .   ? -17.670 -21.336 -12.408 1.00 18.41 ? 338 HOH   B O   1 
HETATM 1628 O O   . HOH   E 5 .   ? -21.146 -6.052  -2.118  1.00 41.65 ? 339 HOH   B O   1 
HETATM 1629 O O   . HOH   E 5 .   ? -35.938 -19.335 -30.495 1.00 32.25 ? 340 HOH   B O   1 
HETATM 1630 O O   . HOH   E 5 .   ? -32.343 4.661   -33.119 1.00 22.95 ? 341 HOH   B O   1 
HETATM 1631 O O   . HOH   E 5 .   ? -38.577 3.906   -13.707 1.00 34.75 ? 342 HOH   B O   1 
HETATM 1632 O O   . HOH   E 5 .   ? -42.449 1.382   -22.780 1.00 39.66 ? 343 HOH   B O   1 
HETATM 1633 O O   . HOH   E 5 .   ? -19.982 1.790   -30.703 1.00 30.71 ? 344 HOH   B O   1 
HETATM 1634 O O   . HOH   E 5 .   ? -38.842 -2.530  -21.467 1.00 17.80 ? 345 HOH   B O   1 
HETATM 1635 O O   . HOH   E 5 .   ? -17.573 -27.664 -19.620 1.00 18.78 ? 346 HOH   B O   1 
HETATM 1636 O O   . HOH   E 5 .   ? -36.032 -3.936  -10.258 1.00 41.29 ? 347 HOH   B O   1 
HETATM 1637 O O   . HOH   E 5 .   ? -18.559 -4.643  -24.719 1.00 20.00 ? 348 HOH   B O   1 
HETATM 1638 O O   . HOH   E 5 .   ? -30.810 1.005   -17.156 1.00 27.03 ? 349 HOH   B O   1 
HETATM 1639 O O   . HOH   E 5 .   ? -30.294 -24.120 -33.932 1.00 26.67 ? 350 HOH   B O   1 
HETATM 1640 O O   . HOH   E 5 .   ? -26.621 -25.814 -16.368 1.00 17.86 ? 351 HOH   B O   1 
HETATM 1641 O O   . HOH   E 5 .   ? -19.536 -4.310  -22.095 1.00 17.91 ? 352 HOH   B O   1 
HETATM 1642 O O   . HOH   E 5 .   ? -45.725 -14.897 -27.648 1.00 34.26 ? 353 HOH   B O   1 
HETATM 1643 O O   . HOH   E 5 .   ? -10.926 -21.198 -25.128 1.00 30.03 ? 354 HOH   B O   1 
HETATM 1644 O O   . HOH   E 5 .   ? -27.249 -20.291 -6.897  1.00 18.94 ? 355 HOH   B O   1 
HETATM 1645 O O   . HOH   E 5 .   ? -38.719 -7.779  -10.833 1.00 18.01 ? 356 HOH   B O   1 
HETATM 1646 O O   . HOH   E 5 .   ? -10.389 -23.492 -21.774 1.00 33.13 ? 357 HOH   B O   1 
HETATM 1647 O O   . HOH   E 5 .   ? -24.455 -4.183  -36.766 1.00 36.71 ? 358 HOH   B O   1 
HETATM 1648 O O   . HOH   E 5 .   ? -24.029 1.121   -10.804 1.00 32.00 ? 359 HOH   B O   1 
HETATM 1649 O O   . HOH   E 5 .   ? -13.573 -21.007 -35.198 1.00 31.61 ? 360 HOH   B O   1 
HETATM 1650 O O   . HOH   E 5 .   ? -25.530 -14.241 -3.378  1.00 32.12 ? 361 HOH   B O   1 
HETATM 1651 O O   . HOH   E 5 .   ? -34.174 -22.157 -31.424 1.00 18.79 ? 362 HOH   B O   1 
HETATM 1652 O O   . HOH   E 5 .   ? -30.877 -20.422 -21.363 1.00 12.47 ? 363 HOH   B O   1 
HETATM 1653 O O   . HOH   E 5 .   ? -23.417 4.357   -24.699 1.00 26.85 ? 364 HOH   B O   1 
HETATM 1654 O O   . HOH   E 5 .   ? -40.910 -14.618 -8.505  1.00 28.40 ? 365 HOH   B O   1 
HETATM 1655 O O   . HOH   E 5 .   ? -23.291 2.251   -23.095 1.00 30.18 ? 366 HOH   B O   1 
HETATM 1656 O O   . HOH   E 5 .   ? -16.834 -5.608  -9.488  1.00 33.92 ? 367 HOH   B O   1 
HETATM 1657 O O   . HOH   E 5 .   ? -9.048  -13.338 -25.357 1.00 42.90 ? 368 HOH   B O   1 
HETATM 1658 O O   . HOH   E 5 .   ? -42.735 -5.868  -12.318 1.00 27.92 ? 369 HOH   B O   1 
HETATM 1659 O O   . HOH   E 5 .   ? -40.360 -14.527 -31.495 1.00 14.82 ? 370 HOH   B O   1 
HETATM 1660 O O   . HOH   E 5 .   ? -18.114 -4.386  -6.000  1.00 41.09 ? 371 HOH   B O   1 
HETATM 1661 O O   . HOH   E 5 .   ? -19.328 -26.203 -31.805 1.00 20.47 ? 372 HOH   B O   1 
HETATM 1662 O O   . HOH   E 5 .   ? -26.854 -17.605 -7.753  1.00 17.74 ? 373 HOH   B O   1 
HETATM 1663 O O   . HOH   E 5 .   ? -27.851 -27.639 -25.751 1.00 33.63 ? 374 HOH   B O   1 
HETATM 1664 O O   . HOH   E 5 .   ? -36.355 -1.977  -33.985 1.00 21.09 ? 375 HOH   B O   1 
HETATM 1665 O O   . HOH   E 5 .   ? -15.069 -19.788 -37.582 1.00 27.15 ? 376 HOH   B O   1 
HETATM 1666 O O   . HOH   E 5 .   ? -18.004 -19.894 -37.577 1.00 30.66 ? 377 HOH   B O   1 
HETATM 1667 O O   . HOH   E 5 .   ? -32.476 -5.073  -12.995 1.00 14.00 ? 378 HOH   B O   1 
HETATM 1668 O O   . HOH   E 5 .   ? -38.202 -14.529 -21.210 1.00 36.01 ? 379 HOH   B O   1 
HETATM 1669 O O   . HOH   E 5 .   ? -21.031 -16.368 -5.503  1.00 17.72 ? 380 HOH   B O   1 
HETATM 1670 O O   . HOH   E 5 .   ? -41.132 -9.627  -36.823 1.00 30.40 ? 381 HOH   B O   1 
HETATM 1671 O O   . HOH   E 5 .   ? -36.654 -1.016  -22.210 1.00 14.83 ? 382 HOH   B O   1 
HETATM 1672 O O   . HOH   E 5 .   ? -14.550 -16.632 -33.045 1.00 26.75 ? 383 HOH   B O   1 
HETATM 1673 O O   . HOH   E 5 .   ? -34.030 -21.968 -36.596 1.00 39.29 ? 384 HOH   B O   1 
HETATM 1674 O O   . HOH   E 5 .   ? -42.366 -3.985  -39.505 1.00 23.49 ? 385 HOH   B O   1 
HETATM 1675 O O   . HOH   E 5 .   ? -45.766 -19.820 -31.759 1.00 25.65 ? 386 HOH   B O   1 
HETATM 1676 O O   . HOH   E 5 .   ? -41.263 -8.608  -13.511 1.00 23.87 ? 387 HOH   B O   1 
HETATM 1677 O O   . HOH   E 5 .   ? -35.584 -4.800  -42.236 1.00 23.40 ? 388 HOH   B O   1 
HETATM 1678 O O   . HOH   E 5 .   ? -25.787 -27.085 -23.909 1.00 18.61 ? 389 HOH   B O   1 
HETATM 1679 O O   . HOH   E 5 .   ? -46.052 -4.536  -33.961 1.00 27.02 ? 390 HOH   B O   1 
HETATM 1680 O O   . HOH   E 5 .   ? -39.954 2.667   -16.178 1.00 19.94 ? 391 HOH   B O   1 
HETATM 1681 O O   . HOH   E 5 .   ? -31.654 3.326   -27.031 1.00 23.02 ? 392 HOH   B O   1 
HETATM 1682 O O   . HOH   E 5 .   ? -9.482  -16.032 -26.582 1.00 29.86 ? 393 HOH   B O   1 
HETATM 1683 O O   . HOH   E 5 .   ? -37.153 0.873   -15.602 1.00 18.99 ? 394 HOH   B O   1 
HETATM 1684 O O   . HOH   E 5 .   ? -33.522 -14.986 -7.018  1.00 21.90 ? 395 HOH   B O   1 
HETATM 1685 O O   . HOH   E 5 .   ? -35.029 -9.096  -6.023  1.00 43.15 ? 396 HOH   B O   1 
HETATM 1686 O O   . HOH   E 5 .   ? -23.813 -21.092 -38.878 1.00 23.60 ? 397 HOH   B O   1 
HETATM 1687 O O   . HOH   E 5 .   ? -25.437 -10.519 -23.618 1.00 13.70 ? 398 HOH   B O   1 
HETATM 1688 O O   . HOH   E 5 .   ? -41.216 -6.095  -38.101 1.00 31.35 ? 399 HOH   B O   1 
HETATM 1689 O O   . HOH   E 5 .   ? -18.363 -17.400 -36.385 1.00 26.26 ? 400 HOH   B O   1 
HETATM 1690 O O   . HOH   E 5 .   ? -31.147 4.000   -24.505 1.00 24.63 ? 401 HOH   B O   1 
HETATM 1691 O O   . HOH   E 5 .   ? -41.214 5.416   -28.590 1.00 36.85 ? 402 HOH   B O   1 
HETATM 1692 O O   . HOH   E 5 .   ? -33.629 -1.891  -38.388 1.00 24.06 ? 403 HOH   B O   1 
HETATM 1693 O O   . HOH   E 5 .   ? -24.163 -12.394 -6.605  1.00 19.44 ? 404 HOH   B O   1 
HETATM 1694 O O   . HOH   E 5 .   ? -41.783 -9.869  -43.919 1.00 36.95 ? 405 HOH   B O   1 
HETATM 1695 O O   . HOH   E 5 .   ? -52.706 -14.189 -29.294 1.00 49.46 ? 406 HOH   B O   1 
HETATM 1696 O O   . HOH   E 5 .   ? -29.017 7.640   -30.248 1.00 34.40 ? 407 HOH   B O   1 
HETATM 1697 O O   . HOH   E 5 .   ? -18.114 -15.999 -6.140  1.00 25.19 ? 408 HOH   B O   1 
HETATM 1698 O O   . HOH   E 5 .   ? -43.249 3.643   -18.786 1.00 22.24 ? 409 HOH   B O   1 
HETATM 1699 O O   . HOH   E 5 .   ? -24.958 -15.047 -6.818  1.00 15.93 ? 410 HOH   B O   1 
HETATM 1700 O O   . HOH   E 5 .   ? -17.981 -11.229 -35.610 1.00 26.12 ? 411 HOH   B O   1 
HETATM 1701 O O   . HOH   E 5 .   ? -13.257 -6.219  -29.185 1.00 33.28 ? 412 HOH   B O   1 
HETATM 1702 O O   . HOH   E 5 .   ? -16.076 -14.640 -8.681  1.00 32.94 ? 413 HOH   B O   1 
HETATM 1703 O O   . HOH   E 5 .   ? -36.392 -0.434  -42.137 1.00 37.60 ? 414 HOH   B O   1 
HETATM 1704 O O   . HOH   E 5 .   ? -12.696 -18.503 -34.794 1.00 39.59 ? 415 HOH   B O   1 
HETATM 1705 O O   . HOH   E 5 .   ? -42.511 -5.117  -43.767 1.00 25.05 ? 416 HOH   B O   1 
HETATM 1706 O O   . HOH   E 5 .   ? -24.861 -11.089 -4.197  1.00 26.01 ? 417 HOH   B O   1 
HETATM 1707 O O   . HOH   E 5 .   ? -18.984 -29.097 -23.436 1.00 32.24 ? 418 HOH   B O   1 
HETATM 1708 O O   . HOH   E 5 .   ? -44.032 -0.350  -24.748 1.00 38.36 ? 419 HOH   B O   1 
HETATM 1709 O O   . HOH   E 5 .   ? -34.447 -7.229  -7.880  1.00 30.75 ? 420 HOH   B O   1 
HETATM 1710 O O   . HOH   E 5 .   ? -25.365 6.898   -29.087 1.00 27.88 ? 421 HOH   B O   1 
HETATM 1711 O O   . HOH   E 5 .   ? -40.515 -7.609  -34.771 1.00 23.44 ? 422 HOH   B O   1 
HETATM 1712 O O   . HOH   E 5 .   ? -40.209 -11.506 -22.809 1.00 24.91 ? 423 HOH   B O   1 
HETATM 1713 O O   . HOH   E 5 .   ? -16.076 -12.038 -5.527  1.00 49.52 ? 424 HOH   B O   1 
HETATM 1714 O O   . HOH   E 5 .   ? -41.266 -8.944  -19.534 1.00 19.37 ? 425 HOH   B O   1 
HETATM 1715 O O   . HOH   E 5 .   ? -47.815 0.000   -32.782 0.50 24.00 ? 426 HOH   B O   1 
HETATM 1716 O O   . HOH   E 5 .   ? -16.150 -7.375  -11.282 1.00 36.23 ? 427 HOH   B O   1 
HETATM 1717 O O   . HOH   E 5 .   ? -20.110 2.322   -23.975 1.00 35.06 ? 428 HOH   B O   1 
HETATM 1718 O O   . HOH   E 5 .   ? -30.752 -17.439 -42.907 1.00 37.59 ? 429 HOH   B O   1 
HETATM 1719 O O   . HOH   E 5 .   ? -41.074 6.453   -33.208 1.00 34.87 ? 430 HOH   B O   1 
HETATM 1720 O O   . HOH   E 5 .   ? -32.731 -23.739 -33.313 1.00 35.41 ? 431 HOH   B O   1 
HETATM 1721 O O   . HOH   E 5 .   ? -36.841 -6.625  -9.002  1.00 32.51 ? 432 HOH   B O   1 
HETATM 1722 O O   . HOH   E 5 .   ? -26.272 -28.373 -21.702 1.00 37.74 ? 433 HOH   B O   1 
HETATM 1723 O O   . HOH   E 5 .   ? -21.893 6.926   -32.375 1.00 32.81 ? 434 HOH   B O   1 
HETATM 1724 O O   . HOH   E 5 .   ? -8.325  -23.225 -30.230 1.00 34.72 ? 435 HOH   B O   1 
HETATM 1725 O O   . HOH   E 5 .   ? -22.879 3.149   -20.680 1.00 40.58 ? 436 HOH   B O   1 
HETATM 1726 O O   . HOH   E 5 .   ? -40.101 5.083   -22.076 1.00 32.97 ? 437 HOH   B O   1 
HETATM 1727 O O   . HOH   E 5 .   ? -38.725 -16.571 -40.989 1.00 38.15 ? 438 HOH   B O   1 
HETATM 1728 O O   . HOH   E 5 .   ? -36.853 2.113   -43.481 1.00 41.08 ? 439 HOH   B O   1 
HETATM 1729 O O   . HOH   E 5 .   ? -16.016 -22.347 -14.587 1.00 28.25 ? 440 HOH   B O   1 
HETATM 1730 O O   . HOH   E 5 .   ? -28.435 -27.833 -16.790 1.00 25.03 ? 441 HOH   B O   1 
HETATM 1731 O O   . HOH   E 5 .   ? -16.021 -26.970 -17.148 1.00 39.56 ? 442 HOH   B O   1 
HETATM 1732 O O   . HOH   E 5 .   ? -26.400 -31.272 -23.986 1.00 29.03 ? 443 HOH   B O   1 
HETATM 1733 O O   . HOH   E 5 .   ? -42.374 -12.946 -22.516 1.00 30.80 ? 444 HOH   B O   1 
# 
