data_7HM2
# 
_entry.id   7HM2 
# 
_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   7HM2         pdb_00007hm2 10.2210/pdb7hm2/pdb 
WWPDB D_1001407644 ?            ?                   
# 
_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                        7HM2 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-04 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              knapp@pharmchem.uni-frankfurt.de 
_pdbx_contact_author.name_first         Stefan 
_pdbx_contact_author.name_last          Knapp 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-5995-6494 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Kim, Y.'                              1 
'Marples, P.'                          2 
'Fearon, D.'                           3 
'von Delft, F.'                        4 
'Knapp, S.'                            5 
'Kraemer, A.'                          6 
'Structural Genomics Consortium (SGC)' 7 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Kim, Y.'                              ? 1 
primary 'Marples, P.'                          ? 2 
primary 'Fearon, D.'                           ? 3 
primary 'von Delft, F.'                        ? 4 
primary 'Knapp, S.'                            ? 5 
primary 'Kraemer, A.'                          ? 6 
primary 'Structural Genomics Consortium (SGC)' ? 7 
# 
loop_
_entity.id 
_entity.type 
_entity.src_method 
_entity.pdbx_description 
_entity.formula_weight 
_entity.pdbx_number_of_molecules 
_entity.pdbx_ec 
_entity.pdbx_mutation 
_entity.pdbx_fragment 
_entity.details 
1 polymer     man 'E3 ubiquitin-protein ligase TRIM21'                     21596.361 1   2.3.2.27 ? ? ? 
2 non-polymer syn '1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide' 246.305   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    140 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;52 kDa Ro protein,52 kDa ribonucleoprotein autoantigen Ro/SS-A,Ro(SS-A),Sjoegren syndrome type A antigen,SS-A,Tripartite motif-containing protein 21
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MHHHHHHMVHITLDRNTANSWLIISKDRRQVRMGDTHQNVSDNKERFSNYPMVLGAQRFSSGKMYWEVDVTQKEAWDLGV
CRDSVQRKGQFSLSPENGFWTIWLWQDSYEAGTSPQTTLHIQVPPCQIGIFVDYEAGVVSFYNITDHGSLIYTFSECVFA
GPLRPFFNVGFNYSGGNAAPLKLCPLKM
;
_entity_poly.pdbx_strand_id                 B 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 '1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide' NZJ 
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 
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 
NZJ non-polymer         . '1-(3-methylbenzene-1-carbonyl)piperidine-4-carboxamide' ?                 'C14 H18 N2 O2'  246.305 
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        NZJ 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   NZJ 
_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 NZJ 1   201 201 NZJ 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 85  HOH HOH B . 
E 5 HOH 2   302 12  HOH HOH B . 
E 5 HOH 3   303 2   HOH HOH B . 
E 5 HOH 4   304 11  HOH HOH B . 
E 5 HOH 5   305 26  HOH HOH B . 
E 5 HOH 6   306 9   HOH HOH B . 
E 5 HOH 7   307 21  HOH HOH B . 
E 5 HOH 8   308 27  HOH HOH B . 
E 5 HOH 9   309 51  HOH HOH B . 
E 5 HOH 10  310 107 HOH HOH B . 
E 5 HOH 11  311 1   HOH HOH B . 
E 5 HOH 12  312 33  HOH HOH B . 
E 5 HOH 13  313 102 HOH HOH B . 
E 5 HOH 14  314 214 HOH HOH B . 
E 5 HOH 15  315 4   HOH HOH B . 
E 5 HOH 16  316 63  HOH HOH B . 
E 5 HOH 17  317 10  HOH HOH B . 
E 5 HOH 18  318 90  HOH HOH B . 
E 5 HOH 19  319 34  HOH HOH B . 
E 5 HOH 20  320 116 HOH HOH B . 
E 5 HOH 21  321 70  HOH HOH B . 
E 5 HOH 22  322 95  HOH HOH B . 
E 5 HOH 23  323 11  HOH HOH B . 
E 5 HOH 24  324 100 HOH HOH B . 
E 5 HOH 25  325 16  HOH HOH B . 
E 5 HOH 26  326 18  HOH HOH B . 
E 5 HOH 27  327 40  HOH HOH B . 
E 5 HOH 28  328 36  HOH HOH B . 
E 5 HOH 29  329 28  HOH HOH B . 
E 5 HOH 30  330 80  HOH HOH B . 
E 5 HOH 31  331 25  HOH HOH B . 
E 5 HOH 32  332 5   HOH HOH B . 
E 5 HOH 33  333 267 HOH HOH B . 
E 5 HOH 34  334 22  HOH HOH B . 
E 5 HOH 35  335 26  HOH HOH B . 
E 5 HOH 36  336 58  HOH HOH B . 
E 5 HOH 37  337 39  HOH HOH B . 
E 5 HOH 38  338 264 HOH HOH B . 
E 5 HOH 39  339 16  HOH HOH B . 
E 5 HOH 40  340 137 HOH HOH B . 
E 5 HOH 41  341 7   HOH HOH B . 
E 5 HOH 42  342 29  HOH HOH B . 
E 5 HOH 43  343 1   HOH HOH B . 
E 5 HOH 44  344 20  HOH HOH B . 
E 5 HOH 45  345 2   HOH HOH B . 
E 5 HOH 46  346 68  HOH HOH B . 
E 5 HOH 47  347 72  HOH HOH B . 
E 5 HOH 48  348 86  HOH HOH B . 
E 5 HOH 49  349 50  HOH HOH B . 
E 5 HOH 50  350 81  HOH HOH B . 
E 5 HOH 51  351 59  HOH HOH B . 
E 5 HOH 52  352 30  HOH HOH B . 
E 5 HOH 53  353 17  HOH HOH B . 
E 5 HOH 54  354 19  HOH HOH B . 
E 5 HOH 55  355 10  HOH HOH B . 
E 5 HOH 56  356 3   HOH HOH B . 
E 5 HOH 57  357 31  HOH HOH B . 
E 5 HOH 58  358 4   HOH HOH B . 
E 5 HOH 59  359 157 HOH HOH B . 
E 5 HOH 60  360 33  HOH HOH B . 
E 5 HOH 61  361 126 HOH HOH B . 
E 5 HOH 62  362 184 HOH HOH B . 
E 5 HOH 63  363 47  HOH HOH B . 
E 5 HOH 64  364 27  HOH HOH B . 
E 5 HOH 65  365 71  HOH HOH B . 
E 5 HOH 66  366 89  HOH HOH B . 
E 5 HOH 67  367 6   HOH HOH B . 
E 5 HOH 68  368 61  HOH HOH B . 
E 5 HOH 69  369 62  HOH HOH B . 
E 5 HOH 70  370 15  HOH HOH B . 
E 5 HOH 71  371 48  HOH HOH B . 
E 5 HOH 72  372 93  HOH HOH B . 
E 5 HOH 73  373 55  HOH HOH B . 
E 5 HOH 74  374 76  HOH HOH B . 
E 5 HOH 75  375 304 HOH HOH B . 
E 5 HOH 76  376 8   HOH HOH B . 
E 5 HOH 77  377 172 HOH HOH B . 
E 5 HOH 78  378 46  HOH HOH B . 
E 5 HOH 79  379 211 HOH HOH B . 
E 5 HOH 80  380 64  HOH HOH B . 
E 5 HOH 81  381 43  HOH HOH B . 
E 5 HOH 82  382 14  HOH HOH B . 
E 5 HOH 83  383 3   HOH HOH B . 
E 5 HOH 84  384 25  HOH HOH B . 
E 5 HOH 85  385 60  HOH HOH B . 
E 5 HOH 86  386 13  HOH HOH B . 
E 5 HOH 87  387 125 HOH HOH B . 
E 5 HOH 88  388 32  HOH HOH B . 
E 5 HOH 89  389 303 HOH HOH B . 
E 5 HOH 90  390 24  HOH HOH B . 
E 5 HOH 91  391 32  HOH HOH B . 
E 5 HOH 92  392 281 HOH HOH B . 
E 5 HOH 93  393 103 HOH HOH B . 
E 5 HOH 94  394 23  HOH HOH B . 
E 5 HOH 95  395 42  HOH HOH B . 
E 5 HOH 96  396 54  HOH HOH B . 
E 5 HOH 97  397 56  HOH HOH B . 
E 5 HOH 98  398 97  HOH HOH B . 
E 5 HOH 99  399 57  HOH HOH B . 
E 5 HOH 100 400 49  HOH HOH B . 
E 5 HOH 101 401 12  HOH HOH B . 
E 5 HOH 102 402 8   HOH HOH B . 
E 5 HOH 103 403 7   HOH HOH B . 
E 5 HOH 104 404 20  HOH HOH B . 
E 5 HOH 105 405 41  HOH HOH B . 
E 5 HOH 106 406 15  HOH HOH B . 
E 5 HOH 107 407 120 HOH HOH B . 
E 5 HOH 108 408 69  HOH HOH B . 
E 5 HOH 109 409 197 HOH HOH B . 
E 5 HOH 110 410 257 HOH HOH B . 
E 5 HOH 111 411 45  HOH HOH B . 
E 5 HOH 112 412 263 HOH HOH B . 
E 5 HOH 113 413 5   HOH HOH B . 
E 5 HOH 114 414 140 HOH HOH B . 
E 5 HOH 115 415 38  HOH HOH B . 
E 5 HOH 116 416 154 HOH HOH B . 
E 5 HOH 117 417 133 HOH HOH B . 
E 5 HOH 118 418 44  HOH HOH B . 
E 5 HOH 119 419 22  HOH HOH B . 
E 5 HOH 120 420 19  HOH HOH B . 
E 5 HOH 121 421 18  HOH HOH B . 
E 5 HOH 122 422 112 HOH HOH B . 
E 5 HOH 123 423 30  HOH HOH B . 
E 5 HOH 124 424 53  HOH HOH B . 
E 5 HOH 125 425 114 HOH HOH B . 
E 5 HOH 126 426 266 HOH HOH B . 
E 5 HOH 127 427 23  HOH HOH B . 
E 5 HOH 128 428 115 HOH HOH B . 
E 5 HOH 129 429 21  HOH HOH B . 
E 5 HOH 130 430 98  HOH HOH B . 
E 5 HOH 131 431 205 HOH HOH B . 
E 5 HOH 132 432 82  HOH HOH B . 
E 5 HOH 133 433 13  HOH HOH B . 
E 5 HOH 134 434 73  HOH HOH B . 
E 5 HOH 135 435 104 HOH HOH B . 
E 5 HOH 136 436 166 HOH HOH B . 
E 5 HOH 137 437 127 HOH HOH B . 
E 5 HOH 138 438 14  HOH HOH B . 
E 5 HOH 139 439 131 HOH HOH B . 
E 5 HOH 140 440 270 HOH HOH B . 
# 
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           7HM2 
_cell.length_a           95.294 
_cell.length_b           95.294 
_cell.length_c           45.864 
_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                         7HM2 
_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          7HM2 
_exptl.method            'X-RAY DIFFRACTION' 
# 
_exptl_crystal.id                    1 
_exptl_crystal.pdbx_mosaicity        0.000 
_exptl_crystal.pdbx_mosaicity_esd    ? 
_exptl_crystal.density_Matthews      2.41 
_exptl_crystal.density_diffrn        ? 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_meas_temp     ? 
_exptl_crystal.density_percent_sol   48.98 
_exptl_crystal.size_max              ? 
_exptl_crystal.size_mid              ? 
_exptl_crystal.size_min              ? 
_exptl_crystal.size_rad              ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    '4 % PEG 400, 2 M AmmSO4, 0.1 M HEPES pH 8' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2024-05-24 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92124 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92124 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HM2 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             67.380 
_reflns.d_resolution_high            1.150 
_reflns.number_obs                   62218 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         85.300 
_reflns.pdbx_Rmerge_I_obs            0.048 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        23.900 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              9.400 
_reflns.pdbx_Rrim_I_all              0.051 
_reflns.pdbx_Rpim_I_all              0.014 
_reflns.pdbx_CC_half                 0.998 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     587265 
_reflns.pdbx_scaling_rejects         0 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.150 1.170  ? 465  455 ? 0.561 ? ? ? 1.000  ? 0.700  ? ? ? ? ? ? 12.800 0.793 0.561 0.508 
1 2 6.300 67.380 ? 6004 480 ? 0.068 ? ? ? 12.500 ? 79.800 ? ? ? ? ? ? 99.900 0.071 0.023 0.960 
# 
_refine.entry_id                                 7HM2 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_d_res_high                            1.1500 
_refine.ls_d_res_low                             67.3800 
_refine.pdbx_ls_sigma_F                          0.000 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.ls_percent_reflns_obs                    85.2900 
_refine.ls_number_reflns_obs                     59196 
_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                          0.1806 
_refine.ls_R_factor_R_work                       0.1796 
_refine.ls_wR_factor_R_work                      ? 
_refine.ls_R_factor_R_free                       0.2002 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_percent_reflns_R_free                 4.9000 
_refine.ls_number_reflns_R_free                  3021 
_refine.ls_number_reflns_R_work                  ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.B_iso_mean                               14.9890 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.aniso_B[1][1]                            0.1200 
_refine.aniso_B[2][2]                            0.1200 
_refine.aniso_B[3][3]                            -0.2500 
_refine.aniso_B[1][2]                            -0.0000 
_refine.aniso_B[1][3]                            -0.0000 
_refine.aniso_B[2][3]                            0.0000 
_refine.correlation_coeff_Fo_to_Fc               0.9680 
_refine.correlation_coeff_Fo_to_Fc_free          0.9550 
_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                       0.0440 
_refine.pdbx_overall_ESU_R_Free                  0.0450 
_refine.overall_SU_ML                            0.0310 
_refine.overall_SU_B                             0.7000 
_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                                72.710 
_refine.B_iso_min                                6.940 
_refine.pdbx_overall_phase_error                 ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_R_free_error_details         ? 
# 
_refine_hist.cycle_id                         final 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.d_res_high                       1.1500 
_refine_hist.d_res_low                        67.3800 
_refine_hist.pdbx_number_atoms_ligand         27 
_refine_hist.number_atoms_solvent             140 
_refine_hist.number_atoms_total               1660 
_refine_hist.pdbx_number_residues_total       185 
_refine_hist.pdbx_B_iso_mean_ligand           30.10 
_refine_hist.pdbx_B_iso_mean_solvent          25.79 
_refine_hist.pdbx_number_atoms_protein        1493 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.type 
_refine_ls_restr.number 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' r_bond_refined_d       2105 0.013  0.013  ? ? 
'X-RAY DIFFRACTION' r_bond_other_d         1662 0.001  0.015  ? ? 
'X-RAY DIFFRACTION' r_angle_refined_deg    2610 1.930  1.637  ? ? 
'X-RAY DIFFRACTION' r_angle_other_deg      3836 1.446  1.578  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_1_deg 244  8.027  5.000  ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_2_deg 115  27.573 21.217 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_3_deg 291  12.236 15.000 ? ? 
'X-RAY DIFFRACTION' r_dihedral_angle_4_deg 15   22.198 15.000 ? ? 
'X-RAY DIFFRACTION' r_chiral_restr         225  0.086  0.200  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_refined   2342 0.011  0.020  ? ? 
'X-RAY DIFFRACTION' r_gen_planes_other     524  0.002  0.020  ? ? 
'X-RAY DIFFRACTION' r_mcbond_it            991  1.314  1.339  ? ? 
'X-RAY DIFFRACTION' r_mcbond_other         981  1.290  1.315  ? ? 
'X-RAY DIFFRACTION' r_mcangle_it           1168 2.073  1.988  ? ? 
# 
_refine_ls_shell.d_res_high                       1.1510 
_refine_ls_shell.d_res_low                        1.1800 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.percent_reflns_obs               16.4200 
_refine_ls_shell.number_reflns_R_work             830 
_refine_ls_shell.R_factor_all                     ? 
_refine_ls_shell.R_factor_R_work                  0.3320 
_refine_ls_shell.R_factor_R_free                  0.3250 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             45 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.number_reflns_all                875 
_refine_ls_shell.number_reflns_obs                ? 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
# 
_struct.entry_id                  7HM2 
_struct.title                     'PanDDA analysis group deposition -- Crystal Structure of TRIM21 in complex with Z32400357' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HM2 
_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              7HM2 
_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 7HM2 MET B 1 ? UNP Q62191 ? ? 'initiating methionine' 7  1 
1 7HM2 HIS B 2 ? UNP Q62191 ? ? 'expression tag'        8  2 
1 7HM2 HIS B 3 ? UNP Q62191 ? ? 'expression tag'        9  3 
1 7HM2 HIS B 4 ? UNP Q62191 ? ? 'expression tag'        10 4 
1 7HM2 HIS B 5 ? UNP Q62191 ? ? 'expression tag'        11 5 
1 7HM2 HIS B 6 ? UNP Q62191 ? ? 'expression tag'        12 6 
1 7HM2 HIS B 7 ? UNP Q62191 ? ? 'expression tag'        13 7 
1 7HM2 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       -2.20 
# 
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                   7HM2 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_1             B 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CD 
_pdbx_validate_rmsd_angle.auth_asym_id_2             B 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_3             B 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              64 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                131.97 
_pdbx_validate_rmsd_angle.angle_target_value         111.80 
_pdbx_validate_rmsd_angle.angle_deviation            20.17 
_pdbx_validate_rmsd_angle.angle_standard_deviation   2.10 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ASP B 152 ? ? -104.64 52.36  
2 1 PHE B 177 ? ? -27.78  135.35 
# 
_pdbx_validate_peptide_omega.id               1 
_pdbx_validate_peptide_omega.PDB_model_num    1 
_pdbx_validate_peptide_omega.auth_comp_id_1   GLY 
_pdbx_validate_peptide_omega.auth_asym_id_1   B 
_pdbx_validate_peptide_omega.auth_seq_id_1    176 
_pdbx_validate_peptide_omega.PDB_ins_code_1   ? 
_pdbx_validate_peptide_omega.label_alt_id_1   ? 
_pdbx_validate_peptide_omega.auth_comp_id_2   PHE 
_pdbx_validate_peptide_omega.auth_asym_id_2   B 
_pdbx_validate_peptide_omega.auth_seq_id_2    177 
_pdbx_validate_peptide_omega.PDB_ins_code_2   ? 
_pdbx_validate_peptide_omega.label_alt_id_2   ? 
_pdbx_validate_peptide_omega.omega            143.07 
# 
_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     425 
_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 
ALA N    N N N 1   
ALA CA   C N S 2   
ALA C    C N N 3   
ALA O    O N N 4   
ALA CB   C N N 5   
ALA OXT  O N N 6   
ALA H    H N N 7   
ALA H2   H N N 8   
ALA HA   H N N 9   
ALA HB1  H N N 10  
ALA HB2  H N N 11  
ALA HB3  H N N 12  
ALA HXT  H N N 13  
ARG N    N N N 14  
ARG CA   C N S 15  
ARG C    C N N 16  
ARG O    O N N 17  
ARG CB   C N N 18  
ARG CG   C N N 19  
ARG CD   C N N 20  
ARG NE   N N N 21  
ARG CZ   C N N 22  
ARG NH1  N N N 23  
ARG NH2  N N N 24  
ARG OXT  O N N 25  
ARG H    H N N 26  
ARG H2   H N N 27  
ARG HA   H N N 28  
ARG HB2  H N N 29  
ARG HB3  H N N 30  
ARG HG2  H N N 31  
ARG HG3  H N N 32  
ARG HD2  H N N 33  
ARG HD3  H N N 34  
ARG HE   H N N 35  
ARG HH11 H N N 36  
ARG HH12 H N N 37  
ARG HH21 H N N 38  
ARG HH22 H N N 39  
ARG HXT  H N N 40  
ASN N    N N N 41  
ASN CA   C N S 42  
ASN C    C N N 43  
ASN O    O N N 44  
ASN CB   C N N 45  
ASN CG   C N N 46  
ASN OD1  O N N 47  
ASN ND2  N N N 48  
ASN OXT  O N N 49  
ASN H    H N N 50  
ASN H2   H N N 51  
ASN HA   H N N 52  
ASN HB2  H N N 53  
ASN HB3  H N N 54  
ASN HD21 H N N 55  
ASN HD22 H N N 56  
ASN HXT  H N N 57  
ASP N    N N N 58  
ASP CA   C N S 59  
ASP C    C N N 60  
ASP O    O N N 61  
ASP CB   C N N 62  
ASP CG   C N N 63  
ASP OD1  O N N 64  
ASP OD2  O N N 65  
ASP OXT  O N N 66  
ASP H    H N N 67  
ASP H2   H N N 68  
ASP HA   H N N 69  
ASP HB2  H N N 70  
ASP HB3  H N N 71  
ASP HD2  H N N 72  
ASP HXT  H N N 73  
CYS N    N N N 74  
CYS CA   C N R 75  
CYS C    C N N 76  
CYS O    O N N 77  
CYS CB   C N N 78  
CYS SG   S N N 79  
CYS OXT  O N N 80  
CYS H    H N N 81  
CYS H2   H N N 82  
CYS HA   H N N 83  
CYS HB2  H N N 84  
CYS HB3  H N N 85  
CYS HG   H N N 86  
CYS HXT  H N N 87  
EDO C1   C N N 88  
EDO O1   O N N 89  
EDO C2   C N N 90  
EDO O2   O N N 91  
EDO H11  H N N 92  
EDO H12  H N N 93  
EDO HO1  H N N 94  
EDO H21  H N N 95  
EDO H22  H N N 96  
EDO HO2  H N N 97  
GLN N    N N N 98  
GLN CA   C N S 99  
GLN C    C N N 100 
GLN O    O N N 101 
GLN CB   C N N 102 
GLN CG   C N N 103 
GLN CD   C N N 104 
GLN OE1  O N N 105 
GLN NE2  N N N 106 
GLN OXT  O N N 107 
GLN H    H N N 108 
GLN H2   H N N 109 
GLN HA   H N N 110 
GLN HB2  H N N 111 
GLN HB3  H N N 112 
GLN HG2  H N N 113 
GLN HG3  H N N 114 
GLN HE21 H N N 115 
GLN HE22 H N N 116 
GLN HXT  H N N 117 
GLU N    N N N 118 
GLU CA   C N S 119 
GLU C    C N N 120 
GLU O    O N N 121 
GLU CB   C N N 122 
GLU CG   C N N 123 
GLU CD   C N N 124 
GLU OE1  O N N 125 
GLU OE2  O N N 126 
GLU OXT  O N N 127 
GLU H    H N N 128 
GLU H2   H N N 129 
GLU HA   H N N 130 
GLU HB2  H N N 131 
GLU HB3  H N N 132 
GLU HG2  H N N 133 
GLU HG3  H N N 134 
GLU HE2  H N N 135 
GLU HXT  H N N 136 
GLY N    N N N 137 
GLY CA   C N N 138 
GLY C    C N N 139 
GLY O    O N N 140 
GLY OXT  O N N 141 
GLY H    H N N 142 
GLY H2   H N N 143 
GLY HA2  H N N 144 
GLY HA3  H N N 145 
GLY HXT  H N N 146 
HIS N    N N N 147 
HIS CA   C N S 148 
HIS C    C N N 149 
HIS O    O N N 150 
HIS CB   C N N 151 
HIS CG   C Y N 152 
HIS ND1  N Y N 153 
HIS CD2  C Y N 154 
HIS CE1  C Y N 155 
HIS NE2  N Y N 156 
HIS OXT  O N N 157 
HIS H    H N N 158 
HIS H2   H N N 159 
HIS HA   H N N 160 
HIS HB2  H N N 161 
HIS HB3  H N N 162 
HIS HD1  H N N 163 
HIS HD2  H N N 164 
HIS HE1  H N N 165 
HIS HE2  H N N 166 
HIS HXT  H N N 167 
HOH O    O N N 168 
HOH H1   H N N 169 
HOH H2   H N N 170 
ILE N    N N N 171 
ILE CA   C N S 172 
ILE C    C N N 173 
ILE O    O N N 174 
ILE CB   C N S 175 
ILE CG1  C N N 176 
ILE CG2  C N N 177 
ILE CD1  C N N 178 
ILE OXT  O N N 179 
ILE H    H N N 180 
ILE H2   H N N 181 
ILE HA   H N N 182 
ILE HB   H N N 183 
ILE HG12 H N N 184 
ILE HG13 H N N 185 
ILE HG21 H N N 186 
ILE HG22 H N N 187 
ILE HG23 H N N 188 
ILE HD11 H N N 189 
ILE HD12 H N N 190 
ILE HD13 H N N 191 
ILE HXT  H N N 192 
LEU N    N N N 193 
LEU CA   C N S 194 
LEU C    C N N 195 
LEU O    O N N 196 
LEU CB   C N N 197 
LEU CG   C N N 198 
LEU CD1  C N N 199 
LEU CD2  C N N 200 
LEU OXT  O N N 201 
LEU H    H N N 202 
LEU H2   H N N 203 
LEU HA   H N N 204 
LEU HB2  H N N 205 
LEU HB3  H N N 206 
LEU HG   H N N 207 
LEU HD11 H N N 208 
LEU HD12 H N N 209 
LEU HD13 H N N 210 
LEU HD21 H N N 211 
LEU HD22 H N N 212 
LEU HD23 H N N 213 
LEU HXT  H N N 214 
LYS N    N N N 215 
LYS CA   C N S 216 
LYS C    C N N 217 
LYS O    O N N 218 
LYS CB   C N N 219 
LYS CG   C N N 220 
LYS CD   C N N 221 
LYS CE   C N N 222 
LYS NZ   N N N 223 
LYS OXT  O N N 224 
LYS H    H N N 225 
LYS H2   H N N 226 
LYS HA   H N N 227 
LYS HB2  H N N 228 
LYS HB3  H N N 229 
LYS HG2  H N N 230 
LYS HG3  H N N 231 
LYS HD2  H N N 232 
LYS HD3  H N N 233 
LYS HE2  H N N 234 
LYS HE3  H N N 235 
LYS HZ1  H N N 236 
LYS HZ2  H N N 237 
LYS HZ3  H N N 238 
LYS HXT  H N N 239 
MET N    N N N 240 
MET CA   C N S 241 
MET C    C N N 242 
MET O    O N N 243 
MET CB   C N N 244 
MET CG   C N N 245 
MET SD   S N N 246 
MET CE   C N N 247 
MET OXT  O N N 248 
MET H    H N N 249 
MET H2   H N N 250 
MET HA   H N N 251 
MET HB2  H N N 252 
MET HB3  H N N 253 
MET HG2  H N N 254 
MET HG3  H N N 255 
MET HE1  H N N 256 
MET HE2  H N N 257 
MET HE3  H N N 258 
MET HXT  H N N 259 
NZJ N1   N N N 260 
NZJ C4   C Y N 261 
NZJ C5   C Y N 262 
NZJ C6   C Y N 263 
NZJ C7   C Y N 264 
NZJ C8   C N N 265 
NZJ C10  C N N 266 
NZJ C13  C N N 267 
NZJ C1   C N N 268 
NZJ C11  C N N 269 
NZJ C12  C N N 270 
NZJ C14  C N N 271 
NZJ C2   C Y N 272 
NZJ C3   C Y N 273 
NZJ C9   C N N 274 
NZJ N2   N N N 275 
NZJ O1   O N N 276 
NZJ O2   O N N 277 
NZJ H1   H N N 278 
NZJ H2   H N N 279 
NZJ H3   H N N 280 
NZJ H4   H N N 281 
NZJ H5   H N N 282 
NZJ H6   H N N 283 
NZJ H7   H N N 284 
NZJ H8   H N N 285 
NZJ H9   H N N 286 
NZJ H10  H N N 287 
NZJ H11  H N N 288 
NZJ H12  H N N 289 
NZJ H13  H N N 290 
NZJ H14  H N N 291 
NZJ H15  H N N 292 
NZJ H16  H N N 293 
NZJ H17  H N N 294 
NZJ H18  H N N 295 
PHE N    N N N 296 
PHE CA   C N S 297 
PHE C    C N N 298 
PHE O    O N N 299 
PHE CB   C N N 300 
PHE CG   C Y N 301 
PHE CD1  C Y N 302 
PHE CD2  C Y N 303 
PHE CE1  C Y N 304 
PHE CE2  C Y N 305 
PHE CZ   C Y N 306 
PHE OXT  O N N 307 
PHE H    H N N 308 
PHE H2   H N N 309 
PHE HA   H N N 310 
PHE HB2  H N N 311 
PHE HB3  H N N 312 
PHE HD1  H N N 313 
PHE HD2  H N N 314 
PHE HE1  H N N 315 
PHE HE2  H N N 316 
PHE HZ   H N N 317 
PHE HXT  H N N 318 
PRO N    N N N 319 
PRO CA   C N S 320 
PRO C    C N N 321 
PRO O    O N N 322 
PRO CB   C N N 323 
PRO CG   C N N 324 
PRO CD   C N N 325 
PRO OXT  O N N 326 
PRO H    H N N 327 
PRO HA   H N N 328 
PRO HB2  H N N 329 
PRO HB3  H N N 330 
PRO HG2  H N N 331 
PRO HG3  H N N 332 
PRO HD2  H N N 333 
PRO HD3  H N N 334 
PRO HXT  H N N 335 
SER N    N N N 336 
SER CA   C N S 337 
SER C    C N N 338 
SER O    O N N 339 
SER CB   C N N 340 
SER OG   O N N 341 
SER OXT  O N N 342 
SER H    H N N 343 
SER H2   H N N 344 
SER HA   H N N 345 
SER HB2  H N N 346 
SER HB3  H N N 347 
SER HG   H N N 348 
SER HXT  H N N 349 
SO4 S    S N N 350 
SO4 O1   O N N 351 
SO4 O2   O N N 352 
SO4 O3   O N N 353 
SO4 O4   O N N 354 
THR N    N N N 355 
THR CA   C N S 356 
THR C    C N N 357 
THR O    O N N 358 
THR CB   C N R 359 
THR OG1  O N N 360 
THR CG2  C N N 361 
THR OXT  O N N 362 
THR H    H N N 363 
THR H2   H N N 364 
THR HA   H N N 365 
THR HB   H N N 366 
THR HG1  H N N 367 
THR HG21 H N N 368 
THR HG22 H N N 369 
THR HG23 H N N 370 
THR HXT  H N N 371 
TRP N    N N N 372 
TRP CA   C N S 373 
TRP C    C N N 374 
TRP O    O N N 375 
TRP CB   C N N 376 
TRP CG   C Y N 377 
TRP CD1  C Y N 378 
TRP CD2  C Y N 379 
TRP NE1  N Y N 380 
TRP CE2  C Y N 381 
TRP CE3  C Y N 382 
TRP CZ2  C Y N 383 
TRP CZ3  C Y N 384 
TRP CH2  C Y N 385 
TRP OXT  O N N 386 
TRP H    H N N 387 
TRP H2   H N N 388 
TRP HA   H N N 389 
TRP HB2  H N N 390 
TRP HB3  H N N 391 
TRP HD1  H N N 392 
TRP HE1  H N N 393 
TRP HE3  H N N 394 
TRP HZ2  H N N 395 
TRP HZ3  H N N 396 
TRP HH2  H N N 397 
TRP HXT  H N N 398 
TYR N    N N N 399 
TYR CA   C N S 400 
TYR C    C N N 401 
TYR O    O N N 402 
TYR CB   C N N 403 
TYR CG   C Y N 404 
TYR CD1  C Y N 405 
TYR CD2  C Y N 406 
TYR CE1  C Y N 407 
TYR CE2  C Y N 408 
TYR CZ   C Y N 409 
TYR OH   O N N 410 
TYR OXT  O N N 411 
TYR H    H N N 412 
TYR H2   H N N 413 
TYR HA   H N N 414 
TYR HB2  H N N 415 
TYR HB3  H N N 416 
TYR HD1  H N N 417 
TYR HD2  H N N 418 
TYR HE1  H N N 419 
TYR HE2  H N N 420 
TYR HH   H N N 421 
TYR HXT  H N N 422 
VAL N    N N N 423 
VAL CA   C N S 424 
VAL C    C N N 425 
VAL O    O N N 426 
VAL CB   C N N 427 
VAL CG1  C N N 428 
VAL CG2  C N N 429 
VAL OXT  O N N 430 
VAL H    H N N 431 
VAL H2   H N N 432 
VAL HA   H N N 433 
VAL HB   H N N 434 
VAL HG11 H N N 435 
VAL HG12 H N N 436 
VAL HG13 H N N 437 
VAL HG21 H N N 438 
VAL HG22 H N N 439 
VAL HG23 H N N 440 
VAL HXT  H N N 441 
# 
loop_
_chem_comp_bond.comp_id 
_chem_comp_bond.atom_id_1 
_chem_comp_bond.atom_id_2 
_chem_comp_bond.value_order 
_chem_comp_bond.pdbx_aromatic_flag 
_chem_comp_bond.pdbx_stereo_config 
_chem_comp_bond.pdbx_ordinal 
ALA N   CA   sing N N 1   
ALA N   H    sing N N 2   
ALA N   H2   sing N N 3   
ALA CA  C    sing N N 4   
ALA CA  CB   sing N N 5   
ALA CA  HA   sing N N 6   
ALA C   O    doub N N 7   
ALA C   OXT  sing N N 8   
ALA CB  HB1  sing N N 9   
ALA CB  HB2  sing N N 10  
ALA CB  HB3  sing N N 11  
ALA OXT HXT  sing N N 12  
ARG N   CA   sing N N 13  
ARG N   H    sing N N 14  
ARG N   H2   sing N N 15  
ARG CA  C    sing N N 16  
ARG CA  CB   sing N N 17  
ARG CA  HA   sing N N 18  
ARG C   O    doub N N 19  
ARG C   OXT  sing N N 20  
ARG CB  CG   sing N N 21  
ARG CB  HB2  sing N N 22  
ARG CB  HB3  sing N N 23  
ARG CG  CD   sing N N 24  
ARG CG  HG2  sing N N 25  
ARG CG  HG3  sing N N 26  
ARG CD  NE   sing N N 27  
ARG CD  HD2  sing N N 28  
ARG CD  HD3  sing N N 29  
ARG NE  CZ   sing N N 30  
ARG NE  HE   sing N N 31  
ARG CZ  NH1  sing N N 32  
ARG CZ  NH2  doub N N 33  
ARG NH1 HH11 sing N N 34  
ARG NH1 HH12 sing N N 35  
ARG NH2 HH21 sing N N 36  
ARG NH2 HH22 sing N N 37  
ARG OXT HXT  sing N N 38  
ASN N   CA   sing N N 39  
ASN N   H    sing N N 40  
ASN N   H2   sing N N 41  
ASN CA  C    sing N N 42  
ASN CA  CB   sing N N 43  
ASN CA  HA   sing N N 44  
ASN C   O    doub N N 45  
ASN C   OXT  sing N N 46  
ASN CB  CG   sing N N 47  
ASN CB  HB2  sing N N 48  
ASN CB  HB3  sing N N 49  
ASN CG  OD1  doub N N 50  
ASN CG  ND2  sing N N 51  
ASN ND2 HD21 sing N N 52  
ASN ND2 HD22 sing N N 53  
ASN OXT HXT  sing N N 54  
ASP N   CA   sing N N 55  
ASP N   H    sing N N 56  
ASP N   H2   sing N N 57  
ASP CA  C    sing N N 58  
ASP CA  CB   sing N N 59  
ASP CA  HA   sing N N 60  
ASP C   O    doub N N 61  
ASP C   OXT  sing N N 62  
ASP CB  CG   sing N N 63  
ASP CB  HB2  sing N N 64  
ASP CB  HB3  sing N N 65  
ASP CG  OD1  doub N N 66  
ASP CG  OD2  sing N N 67  
ASP OD2 HD2  sing N N 68  
ASP OXT HXT  sing N N 69  
CYS N   CA   sing N N 70  
CYS N   H    sing N N 71  
CYS N   H2   sing N N 72  
CYS CA  C    sing N N 73  
CYS CA  CB   sing N N 74  
CYS CA  HA   sing N N 75  
CYS C   O    doub N N 76  
CYS C   OXT  sing N N 77  
CYS CB  SG   sing N N 78  
CYS CB  HB2  sing N N 79  
CYS CB  HB3  sing N N 80  
CYS SG  HG   sing N N 81  
CYS OXT HXT  sing N N 82  
EDO C1  O1   sing N N 83  
EDO C1  C2   sing N N 84  
EDO C1  H11  sing N N 85  
EDO C1  H12  sing N N 86  
EDO O1  HO1  sing N N 87  
EDO C2  O2   sing N N 88  
EDO C2  H21  sing N N 89  
EDO C2  H22  sing N N 90  
EDO O2  HO2  sing N N 91  
GLN N   CA   sing N N 92  
GLN N   H    sing N N 93  
GLN N   H2   sing N N 94  
GLN CA  C    sing N N 95  
GLN CA  CB   sing N N 96  
GLN CA  HA   sing N N 97  
GLN C   O    doub N N 98  
GLN C   OXT  sing N N 99  
GLN CB  CG   sing N N 100 
GLN CB  HB2  sing N N 101 
GLN CB  HB3  sing N N 102 
GLN CG  CD   sing N N 103 
GLN CG  HG2  sing N N 104 
GLN CG  HG3  sing N N 105 
GLN CD  OE1  doub N N 106 
GLN CD  NE2  sing N N 107 
GLN NE2 HE21 sing N N 108 
GLN NE2 HE22 sing N N 109 
GLN OXT HXT  sing N N 110 
GLU N   CA   sing N N 111 
GLU N   H    sing N N 112 
GLU N   H2   sing N N 113 
GLU CA  C    sing N N 114 
GLU CA  CB   sing N N 115 
GLU CA  HA   sing N N 116 
GLU C   O    doub N N 117 
GLU C   OXT  sing N N 118 
GLU CB  CG   sing N N 119 
GLU CB  HB2  sing N N 120 
GLU CB  HB3  sing N N 121 
GLU CG  CD   sing N N 122 
GLU CG  HG2  sing N N 123 
GLU CG  HG3  sing N N 124 
GLU CD  OE1  doub N N 125 
GLU CD  OE2  sing N N 126 
GLU OE2 HE2  sing N N 127 
GLU OXT HXT  sing N N 128 
GLY N   CA   sing N N 129 
GLY N   H    sing N N 130 
GLY N   H2   sing N N 131 
GLY CA  C    sing N N 132 
GLY CA  HA2  sing N N 133 
GLY CA  HA3  sing N N 134 
GLY C   O    doub N N 135 
GLY C   OXT  sing N N 136 
GLY OXT HXT  sing N N 137 
HIS N   CA   sing N N 138 
HIS N   H    sing N N 139 
HIS N   H2   sing N N 140 
HIS CA  C    sing N N 141 
HIS CA  CB   sing N N 142 
HIS CA  HA   sing N N 143 
HIS C   O    doub N N 144 
HIS C   OXT  sing N N 145 
HIS CB  CG   sing N N 146 
HIS CB  HB2  sing N N 147 
HIS CB  HB3  sing N N 148 
HIS CG  ND1  sing Y N 149 
HIS CG  CD2  doub Y N 150 
HIS ND1 CE1  doub Y N 151 
HIS ND1 HD1  sing N N 152 
HIS CD2 NE2  sing Y N 153 
HIS CD2 HD2  sing N N 154 
HIS CE1 NE2  sing Y N 155 
HIS CE1 HE1  sing N N 156 
HIS NE2 HE2  sing N N 157 
HIS OXT HXT  sing N N 158 
HOH O   H1   sing N N 159 
HOH O   H2   sing N N 160 
ILE N   CA   sing N N 161 
ILE N   H    sing N N 162 
ILE N   H2   sing N N 163 
ILE CA  C    sing N N 164 
ILE CA  CB   sing N N 165 
ILE CA  HA   sing N N 166 
ILE C   O    doub N N 167 
ILE C   OXT  sing N N 168 
ILE CB  CG1  sing N N 169 
ILE CB  CG2  sing N N 170 
ILE CB  HB   sing N N 171 
ILE CG1 CD1  sing N N 172 
ILE CG1 HG12 sing N N 173 
ILE CG1 HG13 sing N N 174 
ILE CG2 HG21 sing N N 175 
ILE CG2 HG22 sing N N 176 
ILE CG2 HG23 sing N N 177 
ILE CD1 HD11 sing N N 178 
ILE CD1 HD12 sing N N 179 
ILE CD1 HD13 sing N N 180 
ILE OXT HXT  sing N N 181 
LEU N   CA   sing N N 182 
LEU N   H    sing N N 183 
LEU N   H2   sing N N 184 
LEU CA  C    sing N N 185 
LEU CA  CB   sing N N 186 
LEU CA  HA   sing N N 187 
LEU C   O    doub N N 188 
LEU C   OXT  sing N N 189 
LEU CB  CG   sing N N 190 
LEU CB  HB2  sing N N 191 
LEU CB  HB3  sing N N 192 
LEU CG  CD1  sing N N 193 
LEU CG  CD2  sing N N 194 
LEU CG  HG   sing N N 195 
LEU CD1 HD11 sing N N 196 
LEU CD1 HD12 sing N N 197 
LEU CD1 HD13 sing N N 198 
LEU CD2 HD21 sing N N 199 
LEU CD2 HD22 sing N N 200 
LEU CD2 HD23 sing N N 201 
LEU OXT HXT  sing N N 202 
LYS N   CA   sing N N 203 
LYS N   H    sing N N 204 
LYS N   H2   sing N N 205 
LYS CA  C    sing N N 206 
LYS CA  CB   sing N N 207 
LYS CA  HA   sing N N 208 
LYS C   O    doub N N 209 
LYS C   OXT  sing N N 210 
LYS CB  CG   sing N N 211 
LYS CB  HB2  sing N N 212 
LYS CB  HB3  sing N N 213 
LYS CG  CD   sing N N 214 
LYS CG  HG2  sing N N 215 
LYS CG  HG3  sing N N 216 
LYS CD  CE   sing N N 217 
LYS CD  HD2  sing N N 218 
LYS CD  HD3  sing N N 219 
LYS CE  NZ   sing N N 220 
LYS CE  HE2  sing N N 221 
LYS CE  HE3  sing N N 222 
LYS NZ  HZ1  sing N N 223 
LYS NZ  HZ2  sing N N 224 
LYS NZ  HZ3  sing N N 225 
LYS OXT HXT  sing N N 226 
MET N   CA   sing N N 227 
MET N   H    sing N N 228 
MET N   H2   sing N N 229 
MET CA  C    sing N N 230 
MET CA  CB   sing N N 231 
MET CA  HA   sing N N 232 
MET C   O    doub N N 233 
MET C   OXT  sing N N 234 
MET CB  CG   sing N N 235 
MET CB  HB2  sing N N 236 
MET CB  HB3  sing N N 237 
MET CG  SD   sing N N 238 
MET CG  HG2  sing N N 239 
MET CG  HG3  sing N N 240 
MET SD  CE   sing N N 241 
MET CE  HE1  sing N N 242 
MET CE  HE2  sing N N 243 
MET CE  HE3  sing N N 244 
MET OXT HXT  sing N N 245 
NZJ C4  C3   doub Y N 246 
NZJ C4  C5   sing Y N 247 
NZJ C3  C2   sing Y N 248 
NZJ C5  C6   doub Y N 249 
NZJ C2  C1   sing N N 250 
NZJ C2  C7   doub Y N 251 
NZJ C6  C7   sing Y N 252 
NZJ C6  C8   sing N N 253 
NZJ O2  C14  doub N N 254 
NZJ C8  O1   doub N N 255 
NZJ C8  N1   sing N N 256 
NZJ C10 C9   sing N N 257 
NZJ C10 C11  sing N N 258 
NZJ C9  N1   sing N N 259 
NZJ N1  C13  sing N N 260 
NZJ C14 N2   sing N N 261 
NZJ C14 C11  sing N N 262 
NZJ C13 C12  sing N N 263 
NZJ C11 C12  sing N N 264 
NZJ C4  H1   sing N N 265 
NZJ C5  H2   sing N N 266 
NZJ C7  H3   sing N N 267 
NZJ C10 H4   sing N N 268 
NZJ C10 H5   sing N N 269 
NZJ C13 H6   sing N N 270 
NZJ C13 H7   sing N N 271 
NZJ C1  H8   sing N N 272 
NZJ C1  H9   sing N N 273 
NZJ C1  H10  sing N N 274 
NZJ C11 H11  sing N N 275 
NZJ C12 H12  sing N N 276 
NZJ C12 H13  sing N N 277 
NZJ C3  H14  sing N N 278 
NZJ C9  H15  sing N N 279 
NZJ C9  H16  sing N N 280 
NZJ N2  H17  sing N N 281 
NZJ N2  H18  sing N N 282 
PHE N   CA   sing N N 283 
PHE N   H    sing N N 284 
PHE N   H2   sing N N 285 
PHE CA  C    sing N N 286 
PHE CA  CB   sing N N 287 
PHE CA  HA   sing N N 288 
PHE C   O    doub N N 289 
PHE C   OXT  sing N N 290 
PHE CB  CG   sing N N 291 
PHE CB  HB2  sing N N 292 
PHE CB  HB3  sing N N 293 
PHE CG  CD1  doub Y N 294 
PHE CG  CD2  sing Y N 295 
PHE CD1 CE1  sing Y N 296 
PHE CD1 HD1  sing N N 297 
PHE CD2 CE2  doub Y N 298 
PHE CD2 HD2  sing N N 299 
PHE CE1 CZ   doub Y N 300 
PHE CE1 HE1  sing N N 301 
PHE CE2 CZ   sing Y N 302 
PHE CE2 HE2  sing N N 303 
PHE CZ  HZ   sing N N 304 
PHE OXT HXT  sing N N 305 
PRO N   CA   sing N N 306 
PRO N   CD   sing N N 307 
PRO N   H    sing N N 308 
PRO CA  C    sing N N 309 
PRO CA  CB   sing N N 310 
PRO CA  HA   sing N N 311 
PRO C   O    doub N N 312 
PRO C   OXT  sing N N 313 
PRO CB  CG   sing N N 314 
PRO CB  HB2  sing N N 315 
PRO CB  HB3  sing N N 316 
PRO CG  CD   sing N N 317 
PRO CG  HG2  sing N N 318 
PRO CG  HG3  sing N N 319 
PRO CD  HD2  sing N N 320 
PRO CD  HD3  sing N N 321 
PRO OXT HXT  sing N N 322 
SER N   CA   sing N N 323 
SER N   H    sing N N 324 
SER N   H2   sing N N 325 
SER CA  C    sing N N 326 
SER CA  CB   sing N N 327 
SER CA  HA   sing N N 328 
SER C   O    doub N N 329 
SER C   OXT  sing N N 330 
SER CB  OG   sing N N 331 
SER CB  HB2  sing N N 332 
SER CB  HB3  sing N N 333 
SER OG  HG   sing N N 334 
SER OXT HXT  sing N N 335 
SO4 S   O1   doub N N 336 
SO4 S   O2   doub N N 337 
SO4 S   O3   sing N N 338 
SO4 S   O4   sing N N 339 
THR N   CA   sing N N 340 
THR N   H    sing N N 341 
THR N   H2   sing N N 342 
THR CA  C    sing N N 343 
THR CA  CB   sing N N 344 
THR CA  HA   sing N N 345 
THR C   O    doub N N 346 
THR C   OXT  sing N N 347 
THR CB  OG1  sing N N 348 
THR CB  CG2  sing N N 349 
THR CB  HB   sing N N 350 
THR OG1 HG1  sing N N 351 
THR CG2 HG21 sing N N 352 
THR CG2 HG22 sing N N 353 
THR CG2 HG23 sing N N 354 
THR OXT HXT  sing N N 355 
TRP N   CA   sing N N 356 
TRP N   H    sing N N 357 
TRP N   H2   sing N N 358 
TRP CA  C    sing N N 359 
TRP CA  CB   sing N N 360 
TRP CA  HA   sing N N 361 
TRP C   O    doub N N 362 
TRP C   OXT  sing N N 363 
TRP CB  CG   sing N N 364 
TRP CB  HB2  sing N N 365 
TRP CB  HB3  sing N N 366 
TRP CG  CD1  doub Y N 367 
TRP CG  CD2  sing Y N 368 
TRP CD1 NE1  sing Y N 369 
TRP CD1 HD1  sing N N 370 
TRP CD2 CE2  doub Y N 371 
TRP CD2 CE3  sing Y N 372 
TRP NE1 CE2  sing Y N 373 
TRP NE1 HE1  sing N N 374 
TRP CE2 CZ2  sing Y N 375 
TRP CE3 CZ3  doub Y N 376 
TRP CE3 HE3  sing N N 377 
TRP CZ2 CH2  doub Y N 378 
TRP CZ2 HZ2  sing N N 379 
TRP CZ3 CH2  sing Y N 380 
TRP CZ3 HZ3  sing N N 381 
TRP CH2 HH2  sing N N 382 
TRP OXT HXT  sing N N 383 
TYR N   CA   sing N N 384 
TYR N   H    sing N N 385 
TYR N   H2   sing N N 386 
TYR CA  C    sing N N 387 
TYR CA  CB   sing N N 388 
TYR CA  HA   sing N N 389 
TYR C   O    doub N N 390 
TYR C   OXT  sing N N 391 
TYR CB  CG   sing N N 392 
TYR CB  HB2  sing N N 393 
TYR CB  HB3  sing N N 394 
TYR CG  CD1  doub Y N 395 
TYR CG  CD2  sing Y N 396 
TYR CD1 CE1  sing Y N 397 
TYR CD1 HD1  sing N N 398 
TYR CD2 CE2  doub Y N 399 
TYR CD2 HD2  sing N N 400 
TYR CE1 CZ   doub Y N 401 
TYR CE1 HE1  sing N N 402 
TYR CE2 CZ   sing Y N 403 
TYR CE2 HE2  sing N N 404 
TYR CZ  OH   sing N N 405 
TYR OH  HH   sing N N 406 
TYR OXT HXT  sing N N 407 
VAL N   CA   sing N N 408 
VAL N   H    sing N N 409 
VAL N   H2   sing N N 410 
VAL CA  C    sing N N 411 
VAL CA  CB   sing N N 412 
VAL CA  HA   sing N N 413 
VAL C   O    doub N N 414 
VAL C   OXT  sing N N 415 
VAL CB  CG1  sing N N 416 
VAL CB  CG2  sing N N 417 
VAL CB  HB   sing N N 418 
VAL CG1 HG11 sing N N 419 
VAL CG1 HG12 sing N N 420 
VAL CG1 HG13 sing N N 421 
VAL CG2 HG21 sing N N 422 
VAL CG2 HG22 sing N N 423 
VAL CG2 HG23 sing N N 424 
VAL OXT HXT  sing N N 425 
# 
_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                    7HM2 
_atom_sites.fract_transf_matrix[1][1]   0.010494 
_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]   0.010494 
_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]   0.021804 
_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   ? -13.256 -12.422 -10.006 1.00 54.47 ? 8   HIS B N   1 
ATOM   2    C CA  . HIS A 1 2   ? -12.729 -13.202 -11.182 1.00 51.47 ? 8   HIS B CA  1 
ATOM   3    C C   . HIS A 1 2   ? -11.574 -12.439 -11.844 1.00 52.06 ? 8   HIS B C   1 
ATOM   4    O O   . HIS A 1 2   ? -11.352 -11.255 -11.487 1.00 55.34 ? 8   HIS B O   1 
ATOM   5    C CB  . HIS A 1 2   ? -13.856 -13.512 -12.185 1.00 45.54 ? 8   HIS B CB  1 
ATOM   6    C CG  . HIS A 1 2   ? -14.464 -12.305 -12.824 1.00 42.76 ? 8   HIS B CG  1 
ATOM   7    N ND1 . HIS A 1 2   ? -13.922 -11.716 -13.955 1.00 43.75 ? 8   HIS B ND1 1 
ATOM   8    C CD2 . HIS A 1 2   ? -15.561 -11.579 -12.514 1.00 42.27 ? 8   HIS B CD2 1 
ATOM   9    C CE1 . HIS A 1 2   ? -14.654 -10.676 -14.306 1.00 42.08 ? 8   HIS B CE1 1 
ATOM   10   N NE2 . HIS A 1 2   ? -15.664 -10.560 -13.435 1.00 38.66 ? 8   HIS B NE2 1 
ATOM   11   N N   . HIS A 1 3   ? -10.898 -13.081 -12.799 1.00 46.53 ? 9   HIS B N   1 
ATOM   12   C CA  . HIS A 1 3   ? -9.731  -12.535 -13.540 1.00 47.16 ? 9   HIS B CA  1 
ATOM   13   C C   . HIS A 1 3   ? -9.964  -12.646 -15.053 1.00 39.85 ? 9   HIS B C   1 
ATOM   14   O O   . HIS A 1 3   ? -8.981  -12.877 -15.773 1.00 39.94 ? 9   HIS B O   1 
ATOM   15   C CB  . HIS A 1 3   ? -8.452  -13.248 -13.058 1.00 53.76 ? 9   HIS B CB  1 
ATOM   16   C CG  . HIS A 1 3   ? -8.254  -13.141 -11.580 1.00 64.08 ? 9   HIS B CG  1 
ATOM   17   N ND1 . HIS A 1 3   ? -7.983  -11.933 -10.956 1.00 65.91 ? 9   HIS B ND1 1 
ATOM   18   C CD2 . HIS A 1 3   ? -8.317  -14.067 -10.598 1.00 70.46 ? 9   HIS B CD2 1 
ATOM   19   C CE1 . HIS A 1 3   ? -7.876  -12.123 -9.657  1.00 70.06 ? 9   HIS B CE1 1 
ATOM   20   N NE2 . HIS A 1 3   ? -8.071  -13.426 -9.412  1.00 72.71 ? 9   HIS B NE2 1 
ATOM   21   N N   . HIS A 1 4   ? -11.209 -12.458 -15.521 1.00 32.91 ? 10  HIS B N   1 
ATOM   22   C CA  . HIS A 1 4   ? -11.630 -12.666 -16.935 1.00 28.24 ? 10  HIS B CA  1 
ATOM   23   C C   . HIS A 1 4   ? -11.600 -11.333 -17.682 1.00 28.29 ? 10  HIS B C   1 
ATOM   24   O O   . HIS A 1 4   ? -11.780 -11.342 -18.915 1.00 24.96 ? 10  HIS B O   1 
ATOM   25   C CB  . HIS A 1 4   ? -13.041 -13.280 -17.020 1.00 27.08 ? 10  HIS B CB  1 
ATOM   26   C CG  . HIS A 1 4   ? -13.160 -14.646 -16.433 1.00 28.99 ? 10  HIS B CG  1 
ATOM   27   N ND1 . HIS A 1 4   ? -12.261 -15.661 -16.728 1.00 26.51 ? 10  HIS B ND1 1 
ATOM   28   C CD2 . HIS A 1 4   ? -14.079 -15.181 -15.602 1.00 25.76 ? 10  HIS B CD2 1 
ATOM   29   C CE1 . HIS A 1 4   ? -12.620 -16.759 -16.093 1.00 31.57 ? 10  HIS B CE1 1 
ATOM   30   N NE2 . HIS A 1 4   ? -13.735 -16.491 -15.404 1.00 30.17 ? 10  HIS B NE2 1 
ATOM   31   N N   . HIS A 1 5   ? -11.405 -10.220 -16.967 1.00 29.59 ? 11  HIS B N   1 
ATOM   32   C CA  . HIS A 1 5   ? -11.549 -8.844  -17.516 1.00 31.13 ? 11  HIS B CA  1 
ATOM   33   C C   . HIS A 1 5   ? -10.657 -8.661  -18.753 1.00 27.91 ? 11  HIS B C   1 
ATOM   34   O O   . HIS A 1 5   ? -11.108 -7.984  -19.688 1.00 29.52 ? 11  HIS B O   1 
ATOM   35   C CB  . HIS A 1 5   ? -11.302 -7.771  -16.431 1.00 35.85 ? 11  HIS B CB  1 
ATOM   36   C CG  . HIS A 1 5   ? -12.132 -7.943  -15.202 1.00 42.90 ? 11  HIS B CG  1 
ATOM   37   N ND1 . HIS A 1 5   ? -11.678 -8.659  -14.096 1.00 48.28 ? 11  HIS B ND1 1 
ATOM   38   C CD2 . HIS A 1 5   ? -13.368 -7.492  -14.881 1.00 46.81 ? 11  HIS B CD2 1 
ATOM   39   C CE1 . HIS A 1 5   ? -12.606 -8.646  -13.152 1.00 50.51 ? 11  HIS B CE1 1 
ATOM   40   N NE2 . HIS A 1 5   ? -13.660 -7.941  -13.611 1.00 48.51 ? 11  HIS B NE2 1 
ATOM   41   N N   . HIS A 1 6   ? -9.483  -9.308  -18.830 1.00 25.42 ? 12  HIS B N   1 
ATOM   42   C CA  . HIS A 1 6   ? -8.527  -9.133  -19.963 1.00 26.57 ? 12  HIS B CA  1 
ATOM   43   C C   . HIS A 1 6   ? -9.007  -9.772  -21.275 1.00 25.69 ? 12  HIS B C   1 
ATOM   44   O O   . HIS A 1 6   ? -8.381  -9.536  -22.312 1.00 25.90 ? 12  HIS B O   1 
ATOM   45   C CB  . HIS A 1 6   ? -7.137  -9.637  -19.571 1.00 31.27 ? 12  HIS B CB  1 
ATOM   46   C CG  . HIS A 1 6   ? -7.082  -11.090 -19.270 1.00 29.33 ? 12  HIS B CG  1 
ATOM   47   N ND1 . HIS A 1 6   ? -6.478  -11.991 -20.124 1.00 37.69 ? 12  HIS B ND1 1 
ATOM   48   C CD2 . HIS A 1 6   ? -7.506  -11.803 -18.206 1.00 33.10 ? 12  HIS B CD2 1 
ATOM   49   C CE1 . HIS A 1 6   ? -6.541  -13.195 -19.606 1.00 32.33 ? 12  HIS B CE1 1 
ATOM   50   N NE2 . HIS A 1 6   ? -7.171  -13.116 -18.439 1.00 37.35 ? 12  HIS B NE2 1 
ATOM   51   N N   . HIS A 1 7   ? -10.064 -10.592 -21.262 1.00 21.50 ? 13  HIS B N   1 
ATOM   52   C CA  . HIS A 1 7   ? -10.718 -11.128 -22.485 1.00 18.74 ? 13  HIS B CA  1 
ATOM   53   C C   . HIS A 1 7   ? -11.833 -10.188 -22.945 1.00 16.77 ? 13  HIS B C   1 
ATOM   54   O O   . HIS A 1 7   ? -12.658 -10.641 -23.755 1.00 15.84 ? 13  HIS B O   1 
ATOM   55   C CB  . HIS A 1 7   ? -11.266 -12.516 -22.206 1.00 18.00 ? 13  HIS B CB  1 
ATOM   56   C CG  . HIS A 1 7   ? -10.184 -13.480 -21.834 1.00 19.35 ? 13  HIS B CG  1 
ATOM   57   N ND1 . HIS A 1 7   ? -9.157  -13.809 -22.710 1.00 19.79 ? 13  HIS B ND1 1 
ATOM   58   C CD2 . HIS A 1 7   ? -9.984  -14.156 -20.690 1.00 21.11 ? 13  HIS B CD2 1 
ATOM   59   C CE1 . HIS A 1 7   ? -8.357  -14.663 -22.094 1.00 19.94 ? 13  HIS B CE1 1 
ATOM   60   N NE2 . HIS A 1 7   ? -8.825  -14.895 -20.881 1.00 21.06 ? 13  HIS B NE2 1 
ATOM   61   N N   . MET A 1 8   ? -11.875 -8.957  -22.449 1.00 17.87 ? 14  MET B N   1 
ATOM   62   C CA  . MET A 1 8   ? -12.943 -7.989  -22.818 1.00 19.40 ? 14  MET B CA  1 
ATOM   63   C C   . MET A 1 8   ? -13.020 -7.866  -24.338 1.00 19.94 ? 14  MET B C   1 
ATOM   64   O O   . MET A 1 8   ? -11.967 -7.706  -25.047 1.00 21.64 ? 14  MET B O   1 
ATOM   65   C CB  . MET A 1 8   ? -12.633 -6.609  -22.229 1.00 23.61 ? 14  MET B CB  1 
ATOM   66   C CG  . MET A 1 8   ? -13.682 -5.539  -22.535 1.00 29.23 ? 14  MET B CG  1 
ATOM   67   S SD  . MET A 1 8   ? -15.218 -5.718  -21.565 1.00 40.99 ? 14  MET B SD  1 
ATOM   68   C CE  . MET A 1 8   ? -14.695 -5.038  -19.998 1.00 32.43 ? 14  MET B CE  1 
ATOM   69   N N   . VAL A 1 9   ? -14.240 -7.822  -24.864 1.00 16.78 ? 15  VAL B N   1 
ATOM   70   C CA  . VAL A 1 9   ? -14.544 -7.610  -26.300 1.00 17.78 ? 15  VAL B CA  1 
ATOM   71   C C   . VAL A 1 9   ? -15.542 -6.452  -26.400 1.00 18.01 ? 15  VAL B C   1 
ATOM   72   O O   . VAL A 1 9   ? -16.383 -6.271  -25.490 1.00 17.48 ? 15  VAL B O   1 
ATOM   73   C CB  . VAL A 1 9   ? -15.090 -8.868  -26.997 1.00 18.62 ? 15  VAL B CB  1 
ATOM   74   C CG1 . VAL A 1 9   ? -13.993 -9.903  -27.177 1.00 21.43 ? 15  VAL B CG1 1 
ATOM   75   C CG2 . VAL A 1 9   ? -16.283 -9.501  -26.290 1.00 18.52 ? 15  VAL B CG2 1 
ATOM   76   N N   . HIS A 1 10  ? -15.447 -5.678  -27.465 1.00 17.77 ? 16  HIS B N   1 
ATOM   77   C CA  . HIS A 1 10  ? -16.358 -4.536  -27.729 1.00 17.45 ? 16  HIS B CA  1 
ATOM   78   C C   . HIS A 1 10  ? -17.573 -5.056  -28.491 1.00 18.25 ? 16  HIS B C   1 
ATOM   79   O O   . HIS A 1 10  ? -17.460 -5.419  -29.642 1.00 22.32 ? 16  HIS B O   1 
ATOM   80   C CB  . HIS A 1 10  ? -15.608 -3.427  -28.468 1.00 18.85 ? 16  HIS B CB  1 
ATOM   81   C CG  . HIS A 1 10  ? -16.398 -2.189  -28.737 1.00 21.64 ? 16  HIS B CG  1 
ATOM   82   N ND1 . HIS A 1 10  ? -16.521 -1.196  -27.798 1.00 26.17 ? 16  HIS B ND1 1 
ATOM   83   C CD2 . HIS A 1 10  ? -17.060 -1.778  -29.840 1.00 26.24 ? 16  HIS B CD2 1 
ATOM   84   C CE1 . HIS A 1 10  ? -17.250 -0.208  -28.301 1.00 23.59 ? 16  HIS B CE1 1 
ATOM   85   N NE2 . HIS A 1 10  ? -17.598 -0.552  -29.550 1.00 27.26 ? 16  HIS B NE2 1 
ATOM   86   N N   . ILE A 1 11  ? -18.699 -5.154  -27.807 1.00 14.51 ? 17  ILE B N   1 
ATOM   87   C CA  . ILE A 1 11  ? -19.945 -5.680  -28.415 1.00 14.41 ? 17  ILE B CA  1 
ATOM   88   C C   . ILE A 1 11  ? -20.758 -4.486  -28.956 1.00 13.86 ? 17  ILE B C   1 
ATOM   89   O O   . ILE A 1 11  ? -20.817 -3.434  -28.284 1.00 14.09 ? 17  ILE B O   1 
ATOM   90   C CB  . ILE A 1 11  ? -20.752 -6.491  -27.374 1.00 14.81 ? 17  ILE B CB  1 
ATOM   91   C CG1 . ILE A 1 11  ? -19.969 -7.710  -26.855 1.00 15.71 ? 17  ILE B CG1 1 
ATOM   92   C CG2 . ILE A 1 11  ? -22.110 -6.882  -27.939 1.00 14.04 ? 17  ILE B CG2 1 
ATOM   93   C CD1 . ILE A 1 11  ? -19.398 -8.587  -27.904 1.00 15.10 ? 17  ILE B CD1 1 
ATOM   94   N N   . THR A 1 12  ? -21.375 -4.693  -30.088 1.00 13.33 ? 18  THR B N   1 
ATOM   95   C CA  . THR A 1 12  ? -22.360 -3.721  -30.650 1.00 13.75 ? 18  THR B CA  1 
ATOM   96   C C   . THR A 1 12  ? -23.620 -4.480  -31.013 1.00 13.78 ? 18  THR B C   1 
ATOM   97   O O   . THR A 1 12  ? -23.556 -5.677  -31.307 1.00 15.80 ? 18  THR B O   1 
ATOM   98   C CB  . THR A 1 12  ? -21.788 -2.943  -31.842 1.00 15.74 ? 18  THR B CB  1 
ATOM   99   O OG1 . THR A 1 12  ? -21.404 -3.851  -32.868 1.00 17.00 ? 18  THR B OG1 1 
ATOM   100  C CG2 . THR A 1 12  ? -20.661 -2.005  -31.440 1.00 17.40 ? 18  THR B CG2 1 
ATOM   101  N N   . LEU A 1 13  ? -24.749 -3.764  -30.981 1.00 12.83 ? 19  LEU B N   1 
ATOM   102  C CA  . LEU A 1 13  ? -26.042 -4.407  -31.264 1.00 12.39 ? 19  LEU B CA  1 
ATOM   103  C C   . LEU A 1 13  ? -26.330 -4.413  -32.755 1.00 11.98 ? 19  LEU B C   1 
ATOM   104  O O   . LEU A 1 13  ? -26.030 -3.395  -33.442 1.00 14.54 ? 19  LEU B O   1 
ATOM   105  C CB  . LEU A 1 13  ? -27.107 -3.665  -30.491 1.00 12.58 ? 19  LEU B CB  1 
ATOM   106  C CG  . LEU A 1 13  ? -26.900 -3.705  -28.985 1.00 11.95 ? 19  LEU B CG  1 
ATOM   107  C CD1 . LEU A 1 13  ? -27.922 -2.799  -28.276 1.00 14.79 ? 19  LEU B CD1 1 
ATOM   108  C CD2 . LEU A 1 13  ? -26.941 -5.148  -28.443 1.00 14.83 ? 19  LEU B CD2 1 
ATOM   109  N N   . ASP A 1 14  ? -26.960 -5.427  -33.232 1.00 11.37 ? 20  ASP B N   1 
ATOM   110  C CA  . ASP A 1 14  ? -27.344 -5.599  -34.641 1.00 12.33 ? 20  ASP B CA  1 
ATOM   111  C C   . ASP A 1 14  ? -28.841 -5.226  -34.805 1.00 12.39 ? 20  ASP B C   1 
ATOM   112  O O   . ASP A 1 14  ? -29.723 -6.030  -34.505 1.00 11.53 ? 20  ASP B O   1 
ATOM   113  C CB  . ASP A 1 14  ? -27.069 -7.020  -35.138 1.00 12.63 ? 20  ASP B CB  1 
ATOM   114  C CG  . ASP A 1 14  ? -27.433 -7.307  -36.587 1.00 16.13 ? 20  ASP B CG  1 
ATOM   115  O OD1 . ASP A 1 14  ? -28.093 -6.430  -37.188 1.00 16.23 ? 20  ASP B OD1 1 
ATOM   116  O OD2 . ASP A 1 14  ? -27.155 -8.409  -37.091 1.00 16.45 ? 20  ASP B OD2 1 
ATOM   117  N N   A ARG A 1 15  ? -29.072 -4.004  -35.321 0.25 13.85 ? 21  ARG B N   1 
ATOM   118  N N   B ARG A 1 15  ? -29.099 -4.005  -35.297 0.25 14.14 ? 21  ARG B N   1 
ATOM   119  C CA  A ARG A 1 15  ? -30.401 -3.383  -35.594 0.25 15.08 ? 21  ARG B CA  1 
ATOM   120  C CA  B ARG A 1 15  ? -30.461 -3.428  -35.488 0.25 15.53 ? 21  ARG B CA  1 
ATOM   121  C C   A ARG A 1 15  ? -31.328 -4.345  -36.326 0.25 14.44 ? 21  ARG B C   1 
ATOM   122  C C   B ARG A 1 15  ? -31.348 -4.353  -36.325 0.25 14.68 ? 21  ARG B C   1 
ATOM   123  O O   A ARG A 1 15  ? -32.539 -4.332  -36.053 0.25 14.93 ? 21  ARG B O   1 
ATOM   124  O O   B ARG A 1 15  ? -32.567 -4.355  -36.100 0.25 15.02 ? 21  ARG B O   1 
ATOM   125  C CB  A ARG A 1 15  ? -30.258 -2.147  -36.497 0.25 16.63 ? 21  ARG B CB  1 
ATOM   126  C CB  B ARG A 1 15  ? -30.378 -2.055  -36.175 0.25 17.85 ? 21  ARG B CB  1 
ATOM   127  C CG  A ARG A 1 15  ? -29.371 -1.056  -35.922 0.25 18.21 ? 21  ARG B CG  1 
ATOM   128  C CG  B ARG A 1 15  ? -29.930 -0.929  -35.259 0.25 19.49 ? 21  ARG B CG  1 
ATOM   129  C CD  A ARG A 1 15  ? -29.371 0.227   -36.743 0.25 18.18 ? 21  ARG B CD  1 
ATOM   130  C CD  B ARG A 1 15  ? -28.512 -0.463  -35.545 0.25 21.87 ? 21  ARG B CD  1 
ATOM   131  N NE  A ARG A 1 15  ? -28.756 1.276   -35.946 0.25 18.28 ? 21  ARG B NE  1 
ATOM   132  N NE  B ARG A 1 15  ? -28.389 0.566   -36.584 0.25 23.32 ? 21  ARG B NE  1 
ATOM   133  C CZ  A ARG A 1 15  ? -29.384 1.844   -34.937 0.25 17.96 ? 21  ARG B CZ  1 
ATOM   134  C CZ  B ARG A 1 15  ? -27.910 0.368   -37.813 0.25 26.11 ? 21  ARG B CZ  1 
ATOM   135  N NH1 A ARG A 1 15  ? -30.631 1.491   -34.696 0.25 19.72 ? 21  ARG B NH1 1 
ATOM   136  N NH1 B ARG A 1 15  ? -27.509 -0.830  -38.201 0.25 27.92 ? 21  ARG B NH1 1 
ATOM   137  N NH2 A ARG A 1 15  ? -28.797 2.759   -34.196 0.25 19.69 ? 21  ARG B NH2 1 
ATOM   138  N NH2 B ARG A 1 15  ? -27.834 1.379   -38.662 0.25 27.78 ? 21  ARG B NH2 1 
ATOM   139  N N   . ASN A 1 16  ? -30.768 -5.084  -37.273 1.00 14.26 ? 22  ASN B N   1 
ATOM   140  C CA  . ASN A 1 16  ? -31.557 -5.923  -38.192 1.00 15.64 ? 22  ASN B CA  1 
ATOM   141  C C   . ASN A 1 16  ? -32.242 -7.062  -37.457 1.00 13.46 ? 22  ASN B C   1 
ATOM   142  O O   . ASN A 1 16  ? -33.229 -7.577  -37.953 1.00 13.95 ? 22  ASN B O   1 
ATOM   143  C CB  . ASN A 1 16  ? -30.721 -6.425  -39.377 1.00 19.65 ? 22  ASN B CB  1 
ATOM   144  C CG  . ASN A 1 16  ? -30.409 -5.322  -40.367 1.00 27.25 ? 22  ASN B CG  1 
ATOM   145  O OD1 . ASN A 1 16  ? -31.188 -4.387  -40.544 1.00 32.81 ? 22  ASN B OD1 1 
ATOM   146  N ND2 . ASN A 1 16  ? -29.250 -5.411  -40.985 1.00 36.29 ? 22  ASN B ND2 1 
ATOM   147  N N   . THR A 1 17  ? -31.680 -7.475  -36.294 1.00 12.16 ? 23  THR B N   1 
ATOM   148  C CA  . THR A 1 17  ? -32.233 -8.591  -35.505 1.00 12.04 ? 23  THR B CA  1 
ATOM   149  C C   . THR A 1 17  ? -33.254 -8.114  -34.480 1.00 11.34 ? 23  THR B C   1 
ATOM   150  O O   . THR A 1 17  ? -33.925 -8.949  -33.877 1.00 11.12 ? 23  THR B O   1 
ATOM   151  C CB  . THR A 1 17  ? -31.128 -9.386  -34.793 1.00 12.07 ? 23  THR B CB  1 
ATOM   152  O OG1 . THR A 1 17  ? -30.576 -8.605  -33.733 1.00 11.67 ? 23  THR B OG1 1 
ATOM   153  C CG2 . THR A 1 17  ? -30.078 -9.918  -35.753 1.00 12.28 ? 23  THR B CG2 1 
ATOM   154  N N   . ALA A 1 18  ? -33.349 -6.810  -34.287 1.00 11.52 ? 24  ALA B N   1 
ATOM   155  C CA  . ALA A 1 18  ? -34.115 -6.276  -33.165 1.00 11.10 ? 24  ALA B CA  1 
ATOM   156  C C   . ALA A 1 18  ? -35.615 -6.457  -33.370 1.00 11.19 ? 24  ALA B C   1 
ATOM   157  O O   . ALA A 1 18  ? -36.122 -6.197  -34.495 1.00 12.85 ? 24  ALA B O   1 
ATOM   158  C CB  . ALA A 1 18  ? -33.812 -4.818  -32.997 1.00 11.31 ? 24  ALA B CB  1 
ATOM   159  N N   . ASN A 1 19  ? -36.355 -6.762  -32.348 1.00 11.16 ? 25  ASN B N   1 
ATOM   160  C CA  . ASN A 1 19  ? -37.824 -6.566  -32.373 1.00 11.32 ? 25  ASN B CA  1 
ATOM   161  C C   . ASN A 1 19  ? -38.077 -5.140  -32.860 1.00 11.58 ? 25  ASN B C   1 
ATOM   162  O O   . ASN A 1 19  ? -37.359 -4.188  -32.522 1.00 11.75 ? 25  ASN B O   1 
ATOM   163  C CB  . ASN A 1 19  ? -38.358 -6.873  -30.993 1.00 12.21 ? 25  ASN B CB  1 
ATOM   164  C CG  . ASN A 1 19  ? -39.840 -6.637  -30.893 1.00 13.36 ? 25  ASN B CG  1 
ATOM   165  O OD1 . ASN A 1 19  ? -40.275 -5.506  -30.715 1.00 15.48 ? 25  ASN B OD1 1 
ATOM   166  N ND2 . ASN A 1 19  ? -40.628 -7.679  -30.973 1.00 17.04 ? 25  ASN B ND2 1 
ATOM   167  N N   . SER A 1 20  ? -39.151 -4.984  -33.621 1.00 11.63 ? 26  SER B N   1 
ATOM   168  C CA  . SER A 1 20  ? -39.487 -3.717  -34.319 1.00 12.59 ? 26  SER B CA  1 
ATOM   169  C C   . SER A 1 20  ? -39.878 -2.631  -33.342 1.00 12.59 ? 26  SER B C   1 
ATOM   170  O O   . SER A 1 20  ? -40.002 -1.468  -33.830 1.00 13.76 ? 26  SER B O   1 
ATOM   171  C CB  . SER A 1 20  ? -40.581 -3.923  -35.330 1.00 14.04 ? 26  SER B CB  1 
ATOM   172  O OG  . SER A 1 20  ? -41.732 -4.390  -34.647 1.00 18.62 ? 26  SER B OG  1 
ATOM   173  N N   . TRP A 1 21  ? -40.069 -2.859  -32.058 1.00 11.37 ? 27  TRP B N   1 
ATOM   174  C CA  . TRP A 1 21  ? -40.373 -1.843  -31.034 1.00 13.10 ? 27  TRP B CA  1 
ATOM   175  C C   . TRP A 1 21  ? -39.129 -1.333  -30.307 1.00 13.34 ? 27  TRP B C   1 
ATOM   176  O O   . TRP A 1 21  ? -39.246 -0.443  -29.460 1.00 13.08 ? 27  TRP B O   1 
ATOM   177  C CB  . TRP A 1 21  ? -41.381 -2.397  -30.052 1.00 14.02 ? 27  TRP B CB  1 
ATOM   178  C CG  . TRP A 1 21  ? -42.769 -2.486  -30.619 1.00 15.13 ? 27  TRP B CG  1 
ATOM   179  C CD1 . TRP A 1 21  ? -43.163 -2.994  -31.829 1.00 14.56 ? 27  TRP B CD1 1 
ATOM   180  C CD2 . TRP A 1 21  ? -43.959 -1.994  -29.995 1.00 16.38 ? 27  TRP B CD2 1 
ATOM   181  N NE1 . TRP A 1 21  ? -44.520 -2.905  -31.972 1.00 18.37 ? 27  TRP B NE1 1 
ATOM   182  C CE2 . TRP A 1 21  ? -45.023 -2.288  -30.876 1.00 15.81 ? 27  TRP B CE2 1 
ATOM   183  C CE3 . TRP A 1 21  ? -44.231 -1.365  -28.781 1.00 17.89 ? 27  TRP B CE3 1 
ATOM   184  C CZ2 . TRP A 1 21  ? -46.352 -1.974  -30.584 1.00 18.54 ? 27  TRP B CZ2 1 
ATOM   185  C CZ3 . TRP A 1 21  ? -45.560 -1.041  -28.493 1.00 20.02 ? 27  TRP B CZ3 1 
ATOM   186  C CH2 . TRP A 1 21  ? -46.583 -1.371  -29.373 1.00 21.40 ? 27  TRP B CH2 1 
ATOM   187  N N   . LEU A 1 22  ? -37.958 -1.919  -30.601 1.00 11.66 ? 28  LEU B N   1 
ATOM   188  C CA  . LEU A 1 22  ? -36.744 -1.515  -29.849 1.00 11.66 ? 28  LEU B CA  1 
ATOM   189  C C   . LEU A 1 22  ? -36.132 -0.261  -30.472 1.00 10.84 ? 28  LEU B C   1 
ATOM   190  O O   . LEU A 1 22  ? -36.125 -0.110  -31.680 1.00 11.68 ? 28  LEU B O   1 
ATOM   191  C CB  . LEU A 1 22  ? -35.708 -2.636  -29.817 1.00 11.18 ? 28  LEU B CB  1 
ATOM   192  C CG  . LEU A 1 22  ? -36.155 -3.906  -29.112 1.00 11.36 ? 28  LEU B CG  1 
ATOM   193  C CD1 . LEU A 1 22  ? -35.064 -4.960  -29.114 1.00 11.18 ? 28  LEU B CD1 1 
ATOM   194  C CD2 . LEU A 1 22  ? -36.520 -3.639  -27.702 1.00 12.30 ? 28  LEU B CD2 1 
ATOM   195  N N   . ILE A 1 23  ? -35.511 0.523   -29.624 1.00 11.07 ? 29  ILE B N   1 
ATOM   196  C CA  . ILE A 1 23  ? -34.717 1.736   -29.988 1.00 12.65 ? 29  ILE B CA  1 
ATOM   197  C C   . ILE A 1 23  ? -33.267 1.480   -29.592 1.00 11.82 ? 29  ILE B C   1 
ATOM   198  O O   . ILE A 1 23  ? -32.972 1.399   -28.388 1.00 12.01 ? 29  ILE B O   1 
ATOM   199  C CB  . ILE A 1 23  ? -35.256 2.995   -29.337 1.00 12.93 ? 29  ILE B CB  1 
ATOM   200  C CG1 . ILE A 1 23  ? -36.741 3.237   -29.715 1.00 13.59 ? 29  ILE B CG1 1 
ATOM   201  C CG2 . ILE A 1 23  ? -34.402 4.202   -29.762 1.00 14.08 ? 29  ILE B CG2 1 
ATOM   202  C CD1 . ILE A 1 23  ? -37.403 4.362   -29.022 1.00 14.86 ? 29  ILE B CD1 1 
ATOM   203  N N   . ILE A 1 24  ? -32.428 1.308   -30.599 1.00 13.93 ? 30  ILE B N   1 
ATOM   204  C CA  . ILE A 1 24  ? -30.963 1.123   -30.386 1.00 14.31 ? 30  ILE B CA  1 
ATOM   205  C C   . ILE A 1 24  ? -30.251 2.447   -30.593 1.00 14.77 ? 30  ILE B C   1 
ATOM   206  O O   . ILE A 1 24  ? -30.545 3.172   -31.614 1.00 16.27 ? 30  ILE B O   1 
ATOM   207  C CB  . ILE A 1 24  ? -30.459 0.048   -31.330 1.00 14.53 ? 30  ILE B CB  1 
ATOM   208  C CG1 . ILE A 1 24  ? -30.996 -1.309  -30.909 1.00 17.51 ? 30  ILE B CG1 1 
ATOM   209  C CG2 . ILE A 1 24  ? -28.943 -0.033  -31.339 1.00 14.51 ? 30  ILE B CG2 1 
ATOM   210  C CD1 . ILE A 1 24  ? -30.864 -2.302  -31.905 1.00 20.54 ? 30  ILE B CD1 1 
ATOM   211  N N   . SER A 1 25  ? -29.387 2.848   -29.699 1.00 14.48 ? 31  SER B N   1 
ATOM   212  C CA  . SER A 1 25  ? -28.692 4.138   -29.769 1.00 14.84 ? 31  SER B CA  1 
ATOM   213  C C   . SER A 1 25  ? -27.787 4.209   -30.998 1.00 13.55 ? 31  SER B C   1 
ATOM   214  O O   . SER A 1 25  ? -27.410 3.238   -31.581 1.00 13.83 ? 31  SER B O   1 
ATOM   215  C CB  . SER A 1 25  ? -27.950 4.331   -28.496 1.00 14.91 ? 31  SER B CB  1 
ATOM   216  O OG  . SER A 1 25  ? -26.942 3.318   -28.337 1.00 15.24 ? 31  SER B OG  1 
ATOM   217  N N   . LYS A 1 26  ? -27.414 5.452   -31.346 1.00 16.56 ? 32  LYS B N   1 
ATOM   218  C CA  . LYS A 1 26  ? -26.492 5.732   -32.478 1.00 17.71 ? 32  LYS B CA  1 
ATOM   219  C C   . LYS A 1 26  ? -25.202 4.902   -32.378 1.00 14.73 ? 32  LYS B C   1 
ATOM   220  O O   . LYS A 1 26  ? -24.784 4.409   -33.391 1.00 17.85 ? 32  LYS B O   1 
ATOM   221  C CB  . LYS A 1 26  ? -26.136 7.231   -32.481 1.00 21.81 ? 32  LYS B CB  1 
ATOM   222  C CG  . LYS A 1 26  ? -25.260 7.649   -33.634 1.00 24.12 ? 32  LYS B CG  1 
ATOM   223  C CD  . LYS A 1 26  ? -25.440 9.105   -33.913 1.00 24.13 ? 32  LYS B CD  1 
ATOM   224  C CE  . LYS A 1 26  ? -25.228 9.919   -32.668 1.00 26.78 ? 32  LYS B CE  1 
ATOM   225  N NZ  . LYS A 1 26  ? -25.208 11.351  -33.027 1.00 28.19 ? 32  LYS B NZ  1 
ATOM   226  N N   . ASP A 1 27  ? -24.617 4.835   -31.188 1.00 16.13 ? 33  ASP B N   1 
ATOM   227  C CA  . ASP A 1 27  ? -23.343 4.085   -30.993 1.00 15.76 ? 33  ASP B CA  1 
ATOM   228  C C   . ASP A 1 27  ? -23.585 2.559   -30.956 1.00 14.84 ? 33  ASP B C   1 
ATOM   229  O O   . ASP A 1 27  ? -22.577 1.799   -30.873 1.00 15.78 ? 33  ASP B O   1 
ATOM   230  C CB  . ASP A 1 27  ? -22.583 4.574   -29.762 1.00 17.63 ? 33  ASP B CB  1 
ATOM   231  C CG  . ASP A 1 27  ? -23.250 4.339   -28.428 1.00 18.85 ? 33  ASP B CG  1 
ATOM   232  O OD1 . ASP A 1 27  ? -24.335 3.694   -28.413 1.00 17.88 ? 33  ASP B OD1 1 
ATOM   233  O OD2 . ASP A 1 27  ? -22.638 4.727   -27.416 1.00 21.04 ? 33  ASP B OD2 1 
ATOM   234  N N   . ARG A 1 28  ? -24.817 2.084   -31.057 1.00 13.54 ? 34  ARG B N   1 
ATOM   235  C CA  . ARG A 1 28  ? -25.187 0.649   -31.014 1.00 12.88 ? 34  ARG B CA  1 
ATOM   236  C C   . ARG A 1 28  ? -24.697 0.008   -29.715 1.00 11.03 ? 34  ARG B C   1 
ATOM   237  O O   . ARG A 1 28  ? -24.566 -1.237  -29.707 1.00 12.62 ? 34  ARG B O   1 
ATOM   238  C CB  . ARG A 1 28  ? -24.711 -0.040  -32.292 1.00 16.07 ? 34  ARG B CB  1 
ATOM   239  C CG  . ARG A 1 28  ? -25.346 0.584   -33.532 1.00 21.04 ? 34  ARG B CG  1 
ATOM   240  C CD  . ARG A 1 28  ? -25.021 -0.129  -34.801 1.00 26.67 ? 34  ARG B CD  1 
ATOM   241  N NE  . ARG A 1 28  ? -23.591 -0.244  -34.996 1.00 34.15 ? 34  ARG B NE  1 
ATOM   242  C CZ  . ARG A 1 28  ? -22.872 -1.378  -34.913 1.00 49.08 ? 34  ARG B CZ  1 
ATOM   243  N NH1 . ARG A 1 28  ? -23.441 -2.557  -34.645 1.00 48.52 ? 34  ARG B NH1 1 
ATOM   244  N NH2 . ARG A 1 28  ? -21.560 -1.322  -35.116 1.00 53.44 ? 34  ARG B NH2 1 
ATOM   245  N N   . ARG A 1 29  ? -24.685 0.745   -28.660 1.00 10.54 ? 35  ARG B N   1 
ATOM   246  C CA  . ARG A 1 29  ? -24.285 0.205   -27.356 1.00 12.06 ? 35  ARG B CA  1 
ATOM   247  C C   . ARG A 1 29  ? -25.398 0.196   -26.336 1.00 12.20 ? 35  ARG B C   1 
ATOM   248  O O   . ARG A 1 29  ? -25.211 -0.342  -25.237 1.00 14.11 ? 35  ARG B O   1 
ATOM   249  C CB  . ARG A 1 29  ? -23.092 0.981   -26.778 1.00 12.70 ? 35  ARG B CB  1 
ATOM   250  C CG  . ARG A 1 29  ? -21.843 0.927   -27.637 1.00 14.99 ? 35  ARG B CG  1 
ATOM   251  C CD  . ARG A 1 29  ? -20.988 -0.279  -27.407 1.00 16.00 ? 35  ARG B CD  1 
ATOM   252  N NE  . ARG A 1 29  ? -20.235 -0.104  -26.169 1.00 16.80 ? 35  ARG B NE  1 
ATOM   253  C CZ  . ARG A 1 29  ? -19.519 -1.073  -25.585 1.00 16.00 ? 35  ARG B CZ  1 
ATOM   254  N NH1 . ARG A 1 29  ? -19.413 -2.243  -26.165 1.00 16.34 ? 35  ARG B NH1 1 
ATOM   255  N NH2 . ARG A 1 29  ? -18.893 -0.798  -24.467 1.00 18.85 ? 35  ARG B NH2 1 
ATOM   256  N N   . GLN A 1 30  ? -26.532 0.806   -26.614 1.00 12.06 ? 36  GLN B N   1 
ATOM   257  C CA  . GLN A 1 30  ? -27.696 0.837   -25.712 1.00 12.82 ? 36  GLN B CA  1 
ATOM   258  C C   . GLN A 1 30  ? -28.972 0.432   -26.443 1.00 11.09 ? 36  GLN B C   1 
ATOM   259  O O   . GLN A 1 30  ? -29.119 0.694   -27.662 1.00 12.03 ? 36  GLN B O   1 
ATOM   260  C CB  . GLN A 1 30  ? -27.927 2.215   -25.089 1.00 14.92 ? 36  GLN B CB  1 
ATOM   261  C CG  . GLN A 1 30  ? -26.673 2.851   -24.523 1.00 16.82 ? 36  GLN B CG  1 
ATOM   262  C CD  . GLN A 1 30  ? -27.007 4.112   -23.749 1.00 19.54 ? 36  GLN B CD  1 
ATOM   263  O OE1 . GLN A 1 30  ? -28.156 4.378   -23.376 1.00 22.68 ? 36  GLN B OE1 1 
ATOM   264  N NE2 . GLN A 1 30  ? -25.992 4.923   -23.560 1.00 23.80 ? 36  GLN B NE2 1 
ATOM   265  N N   . VAL A 1 31  ? -29.919 -0.146  -25.704 1.00 11.09 ? 37  VAL B N   1 
ATOM   266  C CA  . VAL A 1 31  ? -31.229 -0.524  -26.294 1.00 11.09 ? 37  VAL B CA  1 
ATOM   267  C C   . VAL A 1 31  ? -32.289 -0.352  -25.240 1.00 11.60 ? 37  VAL B C   1 
ATOM   268  O O   . VAL A 1 31  ? -32.113 -0.748  -24.089 1.00 11.26 ? 37  VAL B O   1 
ATOM   269  C CB  . VAL A 1 31  ? -31.183 -1.927  -26.903 1.00 10.01 ? 37  VAL B CB  1 
ATOM   270  C CG1 . VAL A 1 31  ? -30.764 -3.029  -25.904 1.00 10.35 ? 37  VAL B CG1 1 
ATOM   271  C CG2 . VAL A 1 31  ? -32.505 -2.293  -27.540 1.00 10.93 ? 37  VAL B CG2 1 
ATOM   272  N N   . ARG A 1 32  ? -33.448 0.148   -25.664 1.00 11.65 ? 38  ARG B N   1 
ATOM   273  C CA  . ARG A 1 32  ? -34.618 0.252   -24.781 1.00 12.01 ? 38  ARG B CA  1 
ATOM   274  C C   . ARG A 1 32  ? -35.875 -0.017  -25.593 1.00 12.13 ? 38  ARG B C   1 
ATOM   275  O O   . ARG A 1 32  ? -35.885 0.055   -26.818 1.00 11.82 ? 38  ARG B O   1 
ATOM   276  C CB  . ARG A 1 32  ? -34.709 1.609   -24.100 1.00 14.24 ? 38  ARG B CB  1 
ATOM   277  C CG  . ARG A 1 32  ? -34.961 2.736   -25.081 1.00 15.70 ? 38  ARG B CG  1 
ATOM   278  C CD  . ARG A 1 32  ? -34.847 4.069   -24.353 1.00 19.33 ? 38  ARG B CD  1 
ATOM   279  N NE  . ARG A 1 32  ? -35.128 5.206   -25.221 1.00 23.70 ? 38  ARG B NE  1 
ATOM   280  C CZ  . ARG A 1 32  ? -36.325 5.688   -25.490 1.00 19.80 ? 38  ARG B CZ  1 
ATOM   281  N NH1 . ARG A 1 32  ? -37.425 5.135   -25.033 1.00 22.70 ? 38  ARG B NH1 1 
ATOM   282  N NH2 . ARG A 1 32  ? -36.406 6.742   -26.309 1.00 24.67 ? 38  ARG B NH2 1 
ATOM   283  N N   . MET A 1 33  ? -36.925 -0.294  -24.839 0.32 12.22 ? 39  MET B N   1 
ATOM   284  C CA  . MET A 1 33  ? -38.272 -0.459  -25.402 0.32 13.36 ? 39  MET B CA  1 
ATOM   285  C C   . MET A 1 33  ? -38.828 0.908   -25.798 0.32 13.57 ? 39  MET B C   1 
ATOM   286  O O   . MET A 1 33  ? -38.783 1.860   -24.994 0.32 13.38 ? 39  MET B O   1 
ATOM   287  C CB  . MET A 1 33  ? -39.211 -1.100  -24.392 0.32 13.20 ? 39  MET B CB  1 
ATOM   288  C CG  . MET A 1 33  ? -40.603 -1.045  -24.917 0.32 13.39 ? 39  MET B CG  1 
ATOM   289  S SD  . MET A 1 33  ? -41.716 -2.284  -24.309 0.32 14.75 ? 39  MET B SD  1 
ATOM   290  C CE  . MET A 1 33  ? -40.660 -3.694  -23.995 0.32 13.96 ? 39  MET B CE  1 
ATOM   291  N N   . GLY A 1 34  ? -39.324 0.992   -27.025 1.00 14.58 ? 40  GLY B N   1 
ATOM   292  C CA  . GLY A 1 34  ? -40.138 2.151   -27.422 1.00 16.24 ? 40  GLY B CA  1 
ATOM   293  C C   . GLY A 1 34  ? -41.598 1.923   -27.044 1.00 17.65 ? 40  GLY B C   1 
ATOM   294  O O   . GLY A 1 34  ? -41.978 0.811   -26.663 1.00 16.96 ? 40  GLY B O   1 
ATOM   295  N N   . ASP A 1 35  ? -42.404 2.987   -27.157 1.00 20.00 ? 41  ASP B N   1 
ATOM   296  C CA  . ASP A 1 35  ? -43.839 2.941   -26.739 1.00 23.12 ? 41  ASP B CA  1 
ATOM   297  C C   . ASP A 1 35  ? -44.706 2.637   -27.971 1.00 21.94 ? 41  ASP B C   1 
ATOM   298  O O   . ASP A 1 35  ? -45.954 2.644   -27.855 1.00 23.26 ? 41  ASP B O   1 
ATOM   299  C CB  . ASP A 1 35  ? -44.197 4.218   -25.954 1.00 28.76 ? 41  ASP B CB  1 
ATOM   300  C CG  . ASP A 1 35  ? -43.665 4.285   -24.515 1.00 43.29 ? 41  ASP B CG  1 
ATOM   301  O OD1 . ASP A 1 35  ? -43.362 3.214   -23.937 1.00 49.99 ? 41  ASP B OD1 1 
ATOM   302  O OD2 . ASP A 1 35  ? -43.578 5.409   -23.950 1.00 45.48 ? 41  ASP B OD2 1 
ATOM   303  N N   . THR A 1 36  ? -44.123 2.322   -29.107 1.00 16.72 ? 42  THR B N   1 
ATOM   304  C CA  . THR A 1 36  ? -44.822 2.026   -30.388 1.00 16.78 ? 42  THR B CA  1 
ATOM   305  C C   . THR A 1 36  ? -43.883 1.300   -31.358 1.00 14.51 ? 42  THR B C   1 
ATOM   306  O O   . THR A 1 36  ? -42.595 1.237   -31.147 1.00 15.06 ? 42  THR B O   1 
ATOM   307  C CB  . THR A 1 36  ? -45.312 3.372   -30.911 1.00 17.84 ? 42  THR B CB  1 
ATOM   308  O OG1 . THR A 1 36  ? -46.210 3.139   -31.981 1.00 21.71 ? 42  THR B OG1 1 
ATOM   309  C CG2 . THR A 1 36  ? -44.168 4.250   -31.351 1.00 18.49 ? 42  THR B CG2 1 
ATOM   310  N N   . HIS A 1 37  ? -44.396 0.808   -32.489 1.00 14.86 ? 43  HIS B N   1 
ATOM   311  C CA  . HIS A 1 37  ? -43.561 0.295   -33.608 1.00 13.70 ? 43  HIS B CA  1 
ATOM   312  C C   . HIS A 1 37  ? -42.584 1.378   -34.080 1.00 15.59 ? 43  HIS B C   1 
ATOM   313  O O   . HIS A 1 37  ? -42.991 2.565   -34.287 1.00 15.39 ? 43  HIS B O   1 
ATOM   314  C CB  . HIS A 1 37  ? -44.479 -0.200  -34.730 1.00 13.47 ? 43  HIS B CB  1 
ATOM   315  C CG  . HIS A 1 37  ? -43.833 -0.872  -35.878 1.00 12.24 ? 43  HIS B CG  1 
ATOM   316  N ND1 . HIS A 1 37  ? -43.060 -0.200  -36.821 1.00 13.90 ? 43  HIS B ND1 1 
ATOM   317  C CD2 . HIS A 1 37  ? -43.897 -2.158  -36.284 1.00 13.53 ? 43  HIS B CD2 1 
ATOM   318  C CE1 . HIS A 1 37  ? -42.677 -1.042  -37.737 1.00 12.95 ? 43  HIS B CE1 1 
ATOM   319  N NE2 . HIS A 1 37  ? -43.191 -2.301  -37.441 1.00 13.61 ? 43  HIS B NE2 1 
ATOM   320  N N   . GLN A 1 38  ? -41.302 1.037   -34.225 1.00 13.56 ? 44  GLN B N   1 
ATOM   321  C CA  . GLN A 1 38  ? -40.274 2.052   -34.510 1.00 13.84 ? 44  GLN B CA  1 
ATOM   322  C C   . GLN A 1 38  ? -40.047 2.295   -36.012 1.00 15.30 ? 44  GLN B C   1 
ATOM   323  O O   . GLN A 1 38  ? -38.985 2.858   -36.405 1.00 16.58 ? 44  GLN B O   1 
ATOM   324  C CB  . GLN A 1 38  ? -38.995 1.629   -33.829 1.00 13.77 ? 44  GLN B CB  1 
ATOM   325  C CG  . GLN A 1 38  ? -39.088 1.741   -32.349 1.00 13.08 ? 44  GLN B CG  1 
ATOM   326  C CD  . GLN A 1 38  ? -39.549 3.085   -31.850 1.00 12.59 ? 44  GLN B CD  1 
ATOM   327  O OE1 . GLN A 1 38  ? -40.486 3.245   -31.053 1.00 15.47 ? 44  GLN B OE1 1 
ATOM   328  N NE2 . GLN A 1 38  ? -38.892 4.123   -32.323 1.00 11.99 ? 44  GLN B NE2 1 
ATOM   329  N N   . ASN A 1 39  ? -41.002 1.963   -36.847 1.00 15.36 ? 45  ASN B N   1 
ATOM   330  C CA  . ASN A 1 39  ? -41.071 2.435   -38.254 1.00 13.84 ? 45  ASN B CA  1 
ATOM   331  C C   . ASN A 1 39  ? -39.966 1.804   -39.068 1.00 15.40 ? 45  ASN B C   1 
ATOM   332  O O   . ASN A 1 39  ? -39.484 2.403   -40.048 1.00 15.98 ? 45  ASN B O   1 
ATOM   333  C CB  . ASN A 1 39  ? -41.114 3.974   -38.378 1.00 15.08 ? 45  ASN B CB  1 
ATOM   334  C CG  . ASN A 1 39  ? -41.784 4.401   -39.683 1.00 13.55 ? 45  ASN B CG  1 
ATOM   335  O OD1 . ASN A 1 39  ? -42.591 3.715   -40.280 1.00 13.15 ? 45  ASN B OD1 1 
ATOM   336  N ND2 . ASN A 1 39  ? -41.357 5.564   -40.217 1.00 16.12 ? 45  ASN B ND2 1 
ATOM   337  N N   . VAL A 1 40  ? -39.672 0.534   -38.825 1.00 16.58 ? 46  VAL B N   1 
ATOM   338  C CA  . VAL A 1 40  ? -38.694 -0.289  -39.591 1.00 16.67 ? 46  VAL B CA  1 
ATOM   339  C C   . VAL A 1 40  ? -39.454 -1.347  -40.418 1.00 15.87 ? 46  VAL B C   1 
ATOM   340  O O   . VAL A 1 40  ? -40.536 -1.745  -39.975 1.00 16.93 ? 46  VAL B O   1 
ATOM   341  C CB  . VAL A 1 40  ? -37.656 -0.952  -38.652 1.00 17.87 ? 46  VAL B CB  1 
ATOM   342  C CG1 . VAL A 1 40  ? -36.726 0.084   -38.023 1.00 20.15 ? 46  VAL B CG1 1 
ATOM   343  C CG2 . VAL A 1 40  ? -38.287 -1.847  -37.577 1.00 18.65 ? 46  VAL B CG2 1 
ATOM   344  N N   . SER A 1 41  ? -38.895 -1.827  -41.512 1.00 17.07 ? 47  SER B N   1 
ATOM   345  C CA  . SER A 1 41  ? -39.448 -2.935  -42.317 1.00 17.13 ? 47  SER B CA  1 
ATOM   346  C C   . SER A 1 41  ? -39.235 -4.249  -41.565 1.00 16.52 ? 47  SER B C   1 
ATOM   347  O O   . SER A 1 41  ? -38.235 -4.384  -40.806 1.00 15.54 ? 47  SER B O   1 
ATOM   348  C CB  . SER A 1 41  ? -38.825 -2.991  -43.679 1.00 19.85 ? 47  SER B CB  1 
ATOM   349  O OG  . SER A 1 41  ? -37.416 -3.112  -43.582 1.00 22.81 ? 47  SER B OG  1 
ATOM   350  N N   . ASP A 1 42  ? -40.091 -5.227  -41.785 1.00 15.70 ? 48  ASP B N   1 
ATOM   351  C CA  . ASP A 1 42  ? -39.969 -6.568  -41.161 1.00 16.08 ? 48  ASP B CA  1 
ATOM   352  C C   . ASP A 1 42  ? -38.964 -7.323  -41.999 1.00 16.70 ? 48  ASP B C   1 
ATOM   353  O O   . ASP A 1 42  ? -38.695 -6.977  -43.187 1.00 16.97 ? 48  ASP B O   1 
ATOM   354  C CB  . ASP A 1 42  ? -41.318 -7.292  -41.044 1.00 17.57 ? 48  ASP B CB  1 
ATOM   355  C CG  . ASP A 1 42  ? -41.388 -8.311  -39.884 1.00 19.36 ? 48  ASP B CG  1 
ATOM   356  O OD1 . ASP A 1 42  ? -40.352 -8.525  -39.199 1.00 18.11 ? 48  ASP B OD1 1 
ATOM   357  O OD2 . ASP A 1 42  ? -42.474 -8.913  -39.632 1.00 18.99 ? 48  ASP B OD2 1 
ATOM   358  N N   . ASN A 1 43  ? -38.347 -8.353  -41.390 1.00 14.97 ? 49  ASN B N   1 
ATOM   359  C CA  . ASN A 1 43  ? -37.397 -9.251  -42.066 1.00 16.00 ? 49  ASN B CA  1 
ATOM   360  C C   . ASN A 1 43  ? -37.368 -10.544 -41.256 1.00 17.46 ? 49  ASN B C   1 
ATOM   361  O O   . ASN A 1 43  ? -37.928 -10.596 -40.142 1.00 16.74 ? 49  ASN B O   1 
ATOM   362  C CB  . ASN A 1 43  ? -36.054 -8.570  -42.257 1.00 15.14 ? 49  ASN B CB  1 
ATOM   363  C CG  . ASN A 1 43  ? -35.326 -8.385  -40.944 1.00 15.99 ? 49  ASN B CG  1 
ATOM   364  O OD1 . ASN A 1 43  ? -35.209 -9.337  -40.168 1.00 16.59 ? 49  ASN B OD1 1 
ATOM   365  N ND2 . ASN A 1 43  ? -34.839 -7.220  -40.657 1.00 14.95 ? 49  ASN B ND2 1 
ATOM   366  N N   . LYS A 1 44  ? -36.764 -11.566 -41.824 1.00 18.89 ? 50  LYS B N   1 
ATOM   367  C CA  . LYS A 1 44  ? -36.807 -12.910 -41.205 1.00 19.35 ? 50  LYS B CA  1 
ATOM   368  C C   . LYS A 1 44  ? -35.898 -12.978 -39.966 1.00 16.59 ? 50  LYS B C   1 
ATOM   369  O O   . LYS A 1 44  ? -36.067 -13.926 -39.200 1.00 18.99 ? 50  LYS B O   1 
ATOM   370  C CB  . LYS A 1 44  ? -36.325 -13.958 -42.213 1.00 22.36 ? 50  LYS B CB  1 
ATOM   371  C CG  . LYS A 1 44  ? -34.873 -13.856 -42.620 1.00 26.83 ? 50  LYS B CG  1 
ATOM   372  C CD  . LYS A 1 44  ? -34.322 -15.170 -43.179 1.00 35.77 ? 50  LYS B CD  1 
ATOM   373  C CE  . LYS A 1 44  ? -32.871 -15.066 -43.588 1.00 40.34 ? 50  LYS B CE  1 
ATOM   374  N NZ  . LYS A 1 44  ? -32.592 -15.924 -44.764 1.00 44.64 ? 50  LYS B NZ  1 
ATOM   375  N N   . GLU A 1 45  ? -34.997 -12.029 -39.795 1.00 15.53 ? 51  GLU B N   1 
ATOM   376  C CA  . GLU A 1 45  ? -34.087 -12.037 -38.609 1.00 15.83 ? 51  GLU B CA  1 
ATOM   377  C C   . GLU A 1 45  ? -34.765 -11.495 -37.351 1.00 14.16 ? 51  GLU B C   1 
ATOM   378  O O   . GLU A 1 45  ? -34.294 -11.787 -36.208 1.00 15.49 ? 51  GLU B O   1 
ATOM   379  C CB  . GLU A 1 45  ? -32.849 -11.200 -38.866 1.00 17.28 ? 51  GLU B CB  1 
ATOM   380  C CG  . GLU A 1 45  ? -32.041 -11.582 -40.104 1.00 22.21 ? 51  GLU B CG  1 
ATOM   381  C CD  . GLU A 1 45  ? -30.831 -10.679 -40.305 1.00 29.55 ? 51  GLU B CD  1 
ATOM   382  O OE1 . GLU A 1 45  ? -30.740 -10.025 -41.374 1.00 38.10 ? 51  GLU B OE1 1 
ATOM   383  O OE2 . GLU A 1 45  ? -29.980 -10.580 -39.391 1.00 34.48 ? 51  GLU B OE2 1 
ATOM   384  N N   . ARG A 1 46  ? -35.771 -10.621 -37.442 1.00 13.50 ? 52  ARG B N   1 
ATOM   385  C CA  . ARG A 1 46  ? -36.264 -9.924  -36.237 1.00 12.30 ? 52  ARG B CA  1 
ATOM   386  C C   . ARG A 1 46  ? -36.984 -10.858 -35.281 1.00 13.00 ? 52  ARG B C   1 
ATOM   387  O O   . ARG A 1 46  ? -37.843 -11.655 -35.692 1.00 14.16 ? 52  ARG B O   1 
ATOM   388  C CB  . ARG A 1 46  ? -37.245 -8.805  -36.621 1.00 12.50 ? 52  ARG B CB  1 
ATOM   389  C CG  . ARG A 1 46  ? -36.682 -7.703  -37.488 1.00 13.68 ? 52  ARG B CG  1 
ATOM   390  C CD  . ARG A 1 46  ? -37.555 -6.437  -37.423 1.00 13.21 ? 52  ARG B CD  1 
ATOM   391  N NE  . ARG A 1 46  ? -37.063 -5.421  -38.306 1.00 14.14 ? 52  ARG B NE  1 
ATOM   392  C CZ  . ARG A 1 46  ? -35.971 -4.696  -38.108 1.00 14.07 ? 52  ARG B CZ  1 
ATOM   393  N NH1 . ARG A 1 46  ? -35.351 -4.716  -36.922 1.00 13.66 ? 52  ARG B NH1 1 
ATOM   394  N NH2 . ARG A 1 46  ? -35.505 -3.876  -39.036 1.00 17.46 ? 52  ARG B NH2 1 
ATOM   395  N N   . PHE A 1 47  ? -36.688 -10.759 -33.995 1.00 11.81 ? 53  PHE B N   1 
ATOM   396  C CA  . PHE A 1 47  ? -37.460 -11.464 -32.967 1.00 11.84 ? 53  PHE B CA  1 
ATOM   397  C C   . PHE A 1 47  ? -38.879 -10.871 -32.981 1.00 13.67 ? 53  PHE B C   1 
ATOM   398  O O   . PHE A 1 47  ? -39.028 -9.673  -32.730 1.00 13.62 ? 53  PHE B O   1 
ATOM   399  C CB  . PHE A 1 47  ? -36.813 -11.333 -31.605 1.00 11.31 ? 53  PHE B CB  1 
ATOM   400  C CG  . PHE A 1 47  ? -35.594 -12.207 -31.471 1.00 11.13 ? 53  PHE B CG  1 
ATOM   401  C CD1 . PHE A 1 47  ? -35.706 -13.563 -31.186 1.00 11.83 ? 53  PHE B CD1 1 
ATOM   402  C CD2 . PHE A 1 47  ? -34.332 -11.651 -31.575 1.00 11.30 ? 53  PHE B CD2 1 
ATOM   403  C CE1 . PHE A 1 47  ? -34.574 -14.356 -31.045 1.00 12.02 ? 53  PHE B CE1 1 
ATOM   404  C CE2 . PHE A 1 47  ? -33.198 -12.453 -31.393 1.00 11.70 ? 53  PHE B CE2 1 
ATOM   405  C CZ  . PHE A 1 47  ? -33.331 -13.792 -31.132 1.00 11.27 ? 53  PHE B CZ  1 
ATOM   406  N N   . SER A 1 48  ? -39.919 -11.668 -33.163 1.00 14.15 ? 54  SER B N   1 
ATOM   407  C CA  . SER A 1 48  ? -41.296 -11.123 -33.376 1.00 15.40 ? 54  SER B CA  1 
ATOM   408  C C   . SER A 1 48  ? -42.019 -11.003 -32.060 1.00 15.20 ? 54  SER B C   1 
ATOM   409  O O   . SER A 1 48  ? -42.825 -10.038 -31.895 1.00 17.68 ? 54  SER B O   1 
ATOM   410  C CB  . SER A 1 48  ? -42.092 -11.990 -34.348 1.00 16.60 ? 54  SER B CB  1 
ATOM   411  O OG  . SER A 1 48  ? -42.168 -13.345 -33.927 1.00 16.18 ? 54  SER B OG  1 
ATOM   412  N N   . ASN A 1 49  ? -41.890 -11.930 -31.148 1.00 14.02 ? 55  ASN B N   1 
ATOM   413  C CA  . ASN A 1 49  ? -42.812 -12.076 -30.007 1.00 15.04 ? 55  ASN B CA  1 
ATOM   414  C C   . ASN A 1 49  ? -42.303 -11.408 -28.742 1.00 14.29 ? 55  ASN B C   1 
ATOM   415  O O   . ASN A 1 49  ? -43.048 -11.266 -27.770 1.00 16.25 ? 55  ASN B O   1 
ATOM   416  C CB  . ASN A 1 49  ? -43.101 -13.537 -29.668 1.00 15.95 ? 55  ASN B CB  1 
ATOM   417  C CG  . ASN A 1 49  ? -44.018 -14.219 -30.672 1.00 16.76 ? 55  ASN B CG  1 
ATOM   418  O OD1 . ASN A 1 49  ? -43.818 -14.140 -31.870 1.00 20.05 ? 55  ASN B OD1 1 
ATOM   419  N ND2 . ASN A 1 49  ? -44.981 -14.975 -30.148 1.00 22.36 ? 55  ASN B ND2 1 
ATOM   420  N N   . TYR A 1 50  ? -41.000 -11.086 -28.677 1.00 13.13 ? 56  TYR B N   1 
ATOM   421  C CA  . TYR A 1 50  ? -40.360 -10.612 -27.425 1.00 12.23 ? 56  TYR B CA  1 
ATOM   422  C C   . TYR A 1 50  ? -39.400 -9.473  -27.752 1.00 10.74 ? 56  TYR B C   1 
ATOM   423  O O   . TYR A 1 50  ? -38.908 -9.417  -28.861 1.00 11.55 ? 56  TYR B O   1 
ATOM   424  C CB  . TYR A 1 50  ? -39.556 -11.742 -26.768 1.00 12.26 ? 56  TYR B CB  1 
ATOM   425  C CG  . TYR A 1 50  ? -40.264 -13.072 -26.673 1.00 12.99 ? 56  TYR B CG  1 
ATOM   426  C CD1 . TYR A 1 50  ? -41.268 -13.244 -25.732 1.00 16.06 ? 56  TYR B CD1 1 
ATOM   427  C CD2 . TYR A 1 50  ? -39.984 -14.136 -27.504 1.00 14.26 ? 56  TYR B CD2 1 
ATOM   428  C CE1 . TYR A 1 50  ? -41.953 -14.456 -25.601 1.00 17.47 ? 56  TYR B CE1 1 
ATOM   429  C CE2 . TYR A 1 50  ? -40.677 -15.333 -27.422 1.00 14.32 ? 56  TYR B CE2 1 
ATOM   430  C CZ  . TYR A 1 50  ? -41.637 -15.500 -26.443 1.00 14.65 ? 56  TYR B CZ  1 
ATOM   431  O OH  . TYR A 1 50  ? -42.250 -16.741 -26.410 1.00 16.69 ? 56  TYR B OH  1 
ATOM   432  N N   . PRO A 1 51  ? -39.096 -8.589  -26.784 1.00 10.76 ? 57  PRO B N   1 
ATOM   433  C CA  . PRO A 1 51  ? -38.246 -7.414  -27.033 1.00 10.81 ? 57  PRO B CA  1 
ATOM   434  C C   . PRO A 1 51  ? -36.729 -7.736  -27.005 1.00 9.79  ? 57  PRO B C   1 
ATOM   435  O O   . PRO A 1 51  ? -35.969 -7.210  -26.219 1.00 9.78  ? 57  PRO B O   1 
ATOM   436  C CB  . PRO A 1 51  ? -38.681 -6.387  -25.948 1.00 12.69 ? 57  PRO B CB  1 
ATOM   437  C CG  . PRO A 1 51  ? -39.741 -7.054  -25.135 1.00 16.22 ? 57  PRO B CG  1 
ATOM   438  C CD  . PRO A 1 51  ? -39.737 -8.506  -25.483 1.00 12.22 ? 57  PRO B CD  1 
ATOM   439  N N   . MET A 1 52  ? -36.356 -8.610  -27.944 1.00 9.46  ? 58  MET B N   1 
ATOM   440  C CA  . MET A 1 52  ? -35.003 -9.216  -28.014 1.00 9.15  ? 58  MET B CA  1 
ATOM   441  C C   . MET A 1 52  ? -34.228 -8.627  -29.167 1.00 9.10  ? 58  MET B C   1 
ATOM   442  O O   . MET A 1 52  ? -34.742 -8.176  -30.220 1.00 9.84  ? 58  MET B O   1 
ATOM   443  C CB  . MET A 1 52  ? -35.124 -10.722 -28.187 1.00 10.07 ? 58  MET B CB  1 
ATOM   444  C CG  . MET A 1 52  ? -35.673 -11.428 -27.000 1.00 9.87  ? 58  MET B CG  1 
ATOM   445  S SD  . MET A 1 52  ? -36.159 -13.124 -27.406 1.00 11.29 ? 58  MET B SD  1 
ATOM   446  C CE  . MET A 1 52  ? -36.750 -13.735 -25.824 1.00 12.86 ? 58  MET B CE  1 
ATOM   447  N N   . VAL A 1 53  ? -32.896 -8.691  -29.027 1.00 9.01  ? 59  VAL B N   1 
ATOM   448  C CA  . VAL A 1 53  ? -31.910 -8.247  -30.048 1.00 9.36  ? 59  VAL B CA  1 
ATOM   449  C C   . VAL A 1 53  ? -30.612 -9.036  -29.849 1.00 9.59  ? 59  VAL B C   1 
ATOM   450  O O   . VAL A 1 53  ? -30.295 -9.408  -28.697 1.00 9.82  ? 59  VAL B O   1 
ATOM   451  C CB  . VAL A 1 53  ? -31.707 -6.718  -30.017 1.00 9.65  ? 59  VAL B CB  1 
ATOM   452  C CG1 . VAL A 1 53  ? -31.176 -6.255  -28.679 1.00 10.02 ? 59  VAL B CG1 1 
ATOM   453  C CG2 . VAL A 1 53  ? -30.857 -6.218  -31.166 1.00 10.26 ? 59  VAL B CG2 1 
ATOM   454  N N   . LEU A 1 54  ? -29.865 -9.233  -30.910 1.00 8.72  ? 60  LEU B N   1 
ATOM   455  C CA  . LEU A 1 54  ? -28.537 -9.884  -30.847 1.00 8.90  ? 60  LEU B CA  1 
ATOM   456  C C   . LEU A 1 54  ? -27.419 -8.877  -30.972 1.00 9.86  ? 60  LEU B C   1 
ATOM   457  O O   . LEU A 1 54  ? -27.544 -7.819  -31.712 1.00 11.21 ? 60  LEU B O   1 
ATOM   458  C CB  . LEU A 1 54  ? -28.371 -10.938 -31.932 1.00 10.12 ? 60  LEU B CB  1 
ATOM   459  C CG  . LEU A 1 54  ? -29.444 -12.003 -31.964 1.00 10.48 ? 60  LEU B CG  1 
ATOM   460  C CD1 . LEU A 1 54  ? -29.158 -13.103 -33.007 1.00 11.82 ? 60  LEU B CD1 1 
ATOM   461  C CD2 . LEU A 1 54  ? -29.641 -12.617 -30.603 1.00 11.21 ? 60  LEU B CD2 1 
ATOM   462  N N   . GLY A 1 55  ? -26.252 -9.206  -30.413 1.00 9.47  ? 61  GLY B N   1 
ATOM   463  C CA  . GLY A 1 55  ? -24.995 -8.541  -30.793 1.00 10.06 ? 61  GLY B CA  1 
ATOM   464  C C   . GLY A 1 55  ? -24.599 -8.877  -32.239 1.00 10.84 ? 61  GLY B C   1 
ATOM   465  O O   . GLY A 1 55  ? -24.929 -9.935  -32.733 1.00 11.21 ? 61  GLY B O   1 
ATOM   466  N N   . ALA A 1 56  ? -23.858 -7.969  -32.874 1.00 12.11 ? 62  ALA B N   1 
ATOM   467  C CA  . ALA A 1 56  ? -23.343 -8.195  -34.247 1.00 13.16 ? 62  ALA B CA  1 
ATOM   468  C C   . ALA A 1 56  ? -22.244 -9.246  -34.281 1.00 14.02 ? 62  ALA B C   1 
ATOM   469  O O   . ALA A 1 56  ? -22.098 -9.950  -35.291 1.00 16.91 ? 62  ALA B O   1 
ATOM   470  C CB  . ALA A 1 56  ? -22.843 -6.897  -34.809 1.00 14.88 ? 62  ALA B CB  1 
ATOM   471  N N   . GLN A 1 57  ? -21.470 -9.320  -33.223 1.00 12.76 ? 63  GLN B N   1 
ATOM   472  C CA  . GLN A 1 57  ? -20.275 -10.188 -33.207 1.00 13.46 ? 63  GLN B CA  1 
ATOM   473  C C   . GLN A 1 57  ? -20.698 -11.663 -33.172 1.00 14.02 ? 63  GLN B C   1 
ATOM   474  O O   . GLN A 1 57  ? -21.704 -12.052 -32.502 1.00 14.28 ? 63  GLN B O   1 
ATOM   475  C CB  . GLN A 1 57  ? -19.427 -9.830  -31.990 1.00 15.64 ? 63  GLN B CB  1 
ATOM   476  C CG  . GLN A 1 57  ? -18.747 -8.477  -32.087 1.00 16.68 ? 63  GLN B CG  1 
ATOM   477  C CD  . GLN A 1 57  ? -19.723 -7.318  -31.962 1.00 16.27 ? 63  GLN B CD  1 
ATOM   478  O OE1 . GLN A 1 57  ? -20.680 -7.382  -31.179 1.00 16.07 ? 63  GLN B OE1 1 
ATOM   479  N NE2 . GLN A 1 57  ? -19.452 -6.240  -32.667 1.00 18.62 ? 63  GLN B NE2 1 
ATOM   480  N N   . ARG A 1 58  ? -19.977 -12.526 -33.899 1.00 14.33 ? 64  ARG B N   1 
ATOM   481  C CA  . ARG A 1 58  ? -20.120 -13.990 -33.854 1.00 14.73 ? 64  ARG B CA  1 
ATOM   482  C C   . ARG A 1 58  ? -18.841 -14.588 -33.272 1.00 13.31 ? 64  ARG B C   1 
ATOM   483  O O   . ARG A 1 58  ? -17.734 -14.159 -33.643 1.00 16.08 ? 64  ARG B O   1 
ATOM   484  C CB  . ARG A 1 58  ? -20.263 -14.598 -35.259 1.00 16.83 ? 64  ARG B CB  1 
ATOM   485  C CG  . ARG A 1 58  ? -21.658 -14.701 -35.872 1.00 23.41 ? 64  ARG B CG  1 
ATOM   486  C CD  . ARG A 1 58  ? -22.219 -13.282 -35.924 1.00 22.59 ? 64  ARG B CD  1 
ATOM   487  N NE  . ARG A 1 58  ? -23.112 -12.611 -36.883 1.00 33.78 ? 64  ARG B NE  1 
ATOM   488  C CZ  . ARG A 1 58  ? -23.792 -13.153 -37.882 1.00 31.91 ? 64  ARG B CZ  1 
ATOM   489  N NH1 . ARG A 1 58  ? -24.570 -12.390 -38.635 1.00 38.81 ? 64  ARG B NH1 1 
ATOM   490  N NH2 . ARG A 1 58  ? -23.718 -14.440 -38.137 1.00 38.20 ? 64  ARG B NH2 1 
ATOM   491  N N   . PHE A 1 59  ? -18.978 -15.506 -32.361 1.00 11.93 ? 65  PHE B N   1 
ATOM   492  C CA  . PHE A 1 59  ? -17.825 -16.182 -31.732 1.00 12.41 ? 65  PHE B CA  1 
ATOM   493  C C   . PHE A 1 59  ? -17.888 -17.666 -31.983 1.00 12.07 ? 65  PHE B C   1 
ATOM   494  O O   . PHE A 1 59  ? -18.878 -18.303 -31.752 1.00 12.47 ? 65  PHE B O   1 
ATOM   495  C CB  . PHE A 1 59  ? -17.857 -15.903 -30.220 1.00 14.46 ? 65  PHE B CB  1 
ATOM   496  C CG  . PHE A 1 59  ? -17.820 -14.422 -29.871 1.00 15.99 ? 65  PHE B CG  1 
ATOM   497  C CD1 . PHE A 1 59  ? -16.778 -13.636 -30.342 1.00 18.45 ? 65  PHE B CD1 1 
ATOM   498  C CD2 . PHE A 1 59  ? -18.821 -13.815 -29.132 1.00 21.90 ? 65  PHE B CD2 1 
ATOM   499  C CE1 . PHE A 1 59  ? -16.706 -12.274 -30.081 1.00 20.87 ? 65  PHE B CE1 1 
ATOM   500  C CE2 . PHE A 1 59  ? -18.733 -12.454 -28.833 1.00 19.49 ? 65  PHE B CE2 1 
ATOM   501  C CZ  . PHE A 1 59  ? -17.702 -11.700 -29.333 1.00 20.46 ? 65  PHE B CZ  1 
ATOM   502  N N   A SER A 1 60  ? -16.778 -18.248 -32.457 0.25 12.58 ? 66  SER B N   1 
ATOM   503  N N   B SER A 1 60  ? -16.755 -18.215 -32.437 0.25 12.71 ? 66  SER B N   1 
ATOM   504  C CA  A SER A 1 60  ? -16.686 -19.708 -32.727 0.25 13.07 ? 66  SER B CA  1 
ATOM   505  C CA  B SER A 1 60  ? -16.579 -19.655 -32.755 0.25 13.21 ? 66  SER B CA  1 
ATOM   506  C C   A SER A 1 60  ? -15.447 -20.341 -32.068 0.25 12.53 ? 66  SER B C   1 
ATOM   507  C C   B SER A 1 60  ? -15.308 -20.213 -32.117 0.25 12.80 ? 66  SER B C   1 
ATOM   508  O O   A SER A 1 60  ? -15.304 -21.588 -32.177 0.25 12.73 ? 66  SER B O   1 
ATOM   509  O O   B SER A 1 60  ? -14.906 -21.323 -32.472 0.25 12.48 ? 66  SER B O   1 
ATOM   510  C CB  A SER A 1 60  ? -16.761 -19.983 -34.225 0.25 13.33 ? 66  SER B CB  1 
ATOM   511  C CB  B SER A 1 60  ? -16.515 -19.856 -34.236 0.25 13.54 ? 66  SER B CB  1 
ATOM   512  O OG  A SER A 1 60  ? -18.081 -19.741 -34.745 0.25 13.66 ? 66  SER B OG  1 
ATOM   513  O OG  B SER A 1 60  ? -15.453 -19.100 -34.762 0.25 14.67 ? 66  SER B OG  1 
ATOM   514  N N   A SER A 1 61  ? -14.644 -19.546 -31.346 0.25 12.46 ? 67  SER B N   1 
ATOM   515  N N   B SER A 1 61  ? -14.669 -19.464 -31.234 0.25 13.29 ? 67  SER B N   1 
ATOM   516  C CA  A SER A 1 61  ? -13.426 -19.990 -30.606 0.25 13.21 ? 67  SER B CA  1 
ATOM   517  C CA  B SER A 1 61  ? -13.397 -19.905 -30.622 0.25 14.69 ? 67  SER B CA  1 
ATOM   518  C C   A SER A 1 61  ? -13.100 -19.004 -29.474 0.25 14.03 ? 67  SER B C   1 
ATOM   519  C C   B SER A 1 61  ? -12.996 -18.917 -29.537 0.25 14.85 ? 67  SER B C   1 
ATOM   520  O O   A SER A 1 61  ? -13.683 -17.928 -29.442 0.25 14.18 ? 67  SER B O   1 
ATOM   521  O O   B SER A 1 61  ? -13.402 -17.741 -29.632 0.25 15.00 ? 67  SER B O   1 
ATOM   522  C CB  A SER A 1 61  ? -12.222 -20.109 -31.539 0.25 13.73 ? 67  SER B CB  1 
ATOM   523  C CB  B SER A 1 61  ? -12.316 -20.004 -31.682 0.25 15.93 ? 67  SER B CB  1 
ATOM   524  O OG  A SER A 1 61  ? -11.796 -18.830 -31.984 0.25 14.46 ? 67  SER B OG  1 
ATOM   525  O OG  B SER A 1 61  ? -11.155 -20.609 -31.149 0.25 18.54 ? 67  SER B OG  1 
ATOM   526  N N   . GLY A 1 62  ? -12.170 -19.368 -28.597 1.00 15.06 ? 68  GLY B N   1 
ATOM   527  C CA  . GLY A 1 62  ? -11.570 -18.421 -27.660 1.00 15.63 ? 68  GLY B CA  1 
ATOM   528  C C   . GLY A 1 62  ? -12.403 -18.120 -26.423 1.00 13.64 ? 68  GLY B C   1 
ATOM   529  O O   . GLY A 1 62  ? -13.455 -18.757 -26.175 1.00 14.58 ? 68  GLY B O   1 
ATOM   530  N N   . LYS A 1 63  ? -11.900 -17.119 -25.744 1.00 13.18 ? 69  LYS B N   1 
ATOM   531  C CA  . LYS A 1 63  ? -12.457 -16.621 -24.478 1.00 13.41 ? 69  LYS B CA  1 
ATOM   532  C C   . LYS A 1 63  ? -12.904 -15.192 -24.728 1.00 13.18 ? 69  LYS B C   1 
ATOM   533  O O   . LYS A 1 63  ? -12.144 -14.377 -25.228 1.00 14.93 ? 69  LYS B O   1 
ATOM   534  C CB  . LYS A 1 63  ? -11.412 -16.740 -23.379 1.00 14.87 ? 69  LYS B CB  1 
ATOM   535  C CG  . LYS A 1 63  ? -11.019 -18.159 -23.011 1.00 15.16 ? 69  LYS B CG  1 
ATOM   536  C CD  . LYS A 1 63  ? -9.894  -18.230 -21.933 1.00 17.43 ? 69  LYS B CD  1 
ATOM   537  C CE  . LYS A 1 63  ? -9.515  -19.641 -21.529 1.00 20.74 ? 69  LYS B CE  1 
ATOM   538  N NZ  . LYS A 1 63  ? -8.420  -19.620 -20.522 1.00 23.27 ? 69  LYS B NZ  1 
ATOM   539  N N   . MET A 1 64  ? -14.109 -14.852 -24.299 1.00 12.58 ? 70  MET B N   1 
ATOM   540  C CA  . MET A 1 64  ? -14.722 -13.520 -24.501 1.00 12.14 ? 70  MET B CA  1 
ATOM   541  C C   . MET A 1 64  ? -15.387 -13.062 -23.214 1.00 11.60 ? 70  MET B C   1 
ATOM   542  O O   . MET A 1 64  ? -15.954 -13.891 -22.498 1.00 12.34 ? 70  MET B O   1 
ATOM   543  C CB  . MET A 1 64  ? -15.813 -13.579 -25.557 1.00 13.18 ? 70  MET B CB  1 
ATOM   544  C CG  . MET A 1 64  ? -15.376 -13.763 -26.998 1.00 14.11 ? 70  MET B CG  1 
ATOM   545  S SD  . MET A 1 64  ? -14.665 -15.344 -27.502 1.00 15.63 ? 70  MET B SD  1 
ATOM   546  C CE  . MET A 1 64  ? -15.866 -16.537 -27.009 1.00 15.28 ? 70  MET B CE  1 
ATOM   547  N N   . TYR A 1 65  ? -15.367 -11.768 -22.943 1.00 11.87 ? 71  TYR B N   1 
ATOM   548  C CA  . TYR A 1 65  ? -15.954 -11.181 -21.711 1.00 12.34 ? 71  TYR B CA  1 
ATOM   549  C C   . TYR A 1 65  ? -16.581 -9.853  -22.091 1.00 12.49 ? 71  TYR B C   1 
ATOM   550  O O   . TYR A 1 65  ? -15.936 -9.060  -22.824 1.00 12.77 ? 71  TYR B O   1 
ATOM   551  C CB  . TYR A 1 65  ? -14.900 -10.965 -20.625 1.00 12.42 ? 71  TYR B CB  1 
ATOM   552  C CG  . TYR A 1 65  ? -15.397 -10.348 -19.348 1.00 11.95 ? 71  TYR B CG  1 
ATOM   553  C CD1 . TYR A 1 65  ? -16.116 -11.099 -18.424 1.00 12.83 ? 71  TYR B CD1 1 
ATOM   554  C CD2 . TYR A 1 65  ? -15.221 -8.994  -19.079 1.00 12.92 ? 71  TYR B CD2 1 
ATOM   555  C CE1 . TYR A 1 65  ? -16.652 -10.531 -17.269 1.00 13.67 ? 71  TYR B CE1 1 
ATOM   556  C CE2 . TYR A 1 65  ? -15.721 -8.429  -17.927 1.00 13.62 ? 71  TYR B CE2 1 
ATOM   557  C CZ  . TYR A 1 65  ? -16.415 -9.187  -17.016 1.00 13.88 ? 71  TYR B CZ  1 
ATOM   558  O OH  . TYR A 1 65  ? -16.960 -8.656  -15.893 1.00 14.84 ? 71  TYR B OH  1 
ATOM   559  N N   . TRP A 1 66  ? -17.775 -9.570  -21.579 1.00 11.10 ? 72  TRP B N   1 
ATOM   560  C CA  . TRP A 1 66  ? -18.378 -8.209  -21.691 1.00 11.45 ? 72  TRP B CA  1 
ATOM   561  C C   . TRP A 1 66  ? -19.275 -7.958  -20.484 1.00 11.46 ? 72  TRP B C   1 
ATOM   562  O O   . TRP A 1 66  ? -19.582 -8.871  -19.723 1.00 11.70 ? 72  TRP B O   1 
ATOM   563  C CB  . TRP A 1 66  ? -19.102 -8.009  -23.034 1.00 10.72 ? 72  TRP B CB  1 
ATOM   564  C CG  . TRP A 1 66  ? -20.263 -8.917  -23.277 1.00 10.46 ? 72  TRP B CG  1 
ATOM   565  C CD1 . TRP A 1 66  ? -21.594 -8.623  -23.103 1.00 10.22 ? 72  TRP B CD1 1 
ATOM   566  C CD2 . TRP A 1 66  ? -20.265 -10.232 -23.848 1.00 11.55 ? 72  TRP B CD2 1 
ATOM   567  N NE1 . TRP A 1 66  ? -22.391 -9.675  -23.481 1.00 10.55 ? 72  TRP B NE1 1 
ATOM   568  C CE2 . TRP A 1 66  ? -21.591 -10.695 -23.923 1.00 11.47 ? 72  TRP B CE2 1 
ATOM   569  C CE3 . TRP A 1 66  ? -19.245 -11.079 -24.289 1.00 13.25 ? 72  TRP B CE3 1 
ATOM   570  C CZ2 . TRP A 1 66  ? -21.927 -11.930 -24.450 1.00 12.07 ? 72  TRP B CZ2 1 
ATOM   571  C CZ3 . TRP A 1 66  ? -19.554 -12.314 -24.790 1.00 14.72 ? 72  TRP B CZ3 1 
ATOM   572  C CH2 . TRP A 1 66  ? -20.879 -12.734 -24.871 1.00 14.00 ? 72  TRP B CH2 1 
ATOM   573  N N   . GLU A 1 67  ? -19.661 -6.690  -20.329 1.00 11.48 ? 73  GLU B N   1 
ATOM   574  C CA  . GLU A 1 67  ? -20.493 -6.245  -19.200 1.00 10.66 ? 73  GLU B CA  1 
ATOM   575  C C   . GLU A 1 67  ? -21.716 -5.467  -19.676 1.00 10.69 ? 73  GLU B C   1 
ATOM   576  O O   . GLU A 1 67  ? -21.630 -4.764  -20.659 1.00 11.28 ? 73  GLU B O   1 
ATOM   577  C CB  . GLU A 1 67  ? -19.694 -5.387  -18.218 1.00 13.05 ? 73  GLU B CB  1 
ATOM   578  C CG  . GLU A 1 67  ? -18.648 -6.202  -17.465 1.00 15.21 ? 73  GLU B CG  1 
ATOM   579  C CD  . GLU A 1 67  ? -17.770 -5.444  -16.492 1.00 17.63 ? 73  GLU B CD  1 
ATOM   580  O OE1 . GLU A 1 67  ? -17.903 -4.187  -16.413 1.00 23.22 ? 73  GLU B OE1 1 
ATOM   581  O OE2 . GLU A 1 67  ? -16.911 -6.117  -15.799 1.00 16.61 ? 73  GLU B OE2 1 
ATOM   582  N N   . VAL A 1 68  ? -22.807 -5.653  -18.975 1.00 10.74 ? 74  VAL B N   1 
ATOM   583  C CA  . VAL A 1 68  ? -24.087 -5.003  -19.303 1.00 10.47 ? 74  VAL B CA  1 
ATOM   584  C C   . VAL A 1 68  ? -24.633 -4.343  -18.042 1.00 10.69 ? 74  VAL B C   1 
ATOM   585  O O   . VAL A 1 68  ? -24.775 -4.977  -16.979 1.00 11.93 ? 74  VAL B O   1 
ATOM   586  C CB  . VAL A 1 68  ? -25.098 -6.025  -19.841 1.00 10.11 ? 74  VAL B CB  1 
ATOM   587  C CG1 . VAL A 1 68  ? -26.339 -5.310  -20.317 1.00 11.65 ? 74  VAL B CG1 1 
ATOM   588  C CG2 . VAL A 1 68  ? -24.470 -6.895  -20.910 1.00 11.36 ? 74  VAL B CG2 1 
ATOM   589  N N   . ASP A 1 69  ? -25.084 -3.102  -18.199 1.00 11.11 ? 75  ASP B N   1 
ATOM   590  C CA  . ASP A 1 69  ? -25.752 -2.296  -17.159 1.00 11.65 ? 75  ASP B CA  1 
ATOM   591  C C   . ASP A 1 69  ? -27.241 -2.583  -17.194 1.00 10.26 ? 75  ASP B C   1 
ATOM   592  O O   . ASP A 1 69  ? -27.862 -2.442  -18.311 1.00 11.51 ? 75  ASP B O   1 
ATOM   593  C CB  . ASP A 1 69  ? -25.476 -0.798  -17.338 1.00 14.06 ? 75  ASP B CB  1 
ATOM   594  C CG  . ASP A 1 69  ? -25.833 0.024   -16.116 1.00 16.38 ? 75  ASP B CG  1 
ATOM   595  O OD1 . ASP A 1 69  ? -26.967 0.007   -15.740 1.00 16.00 ? 75  ASP B OD1 1 
ATOM   596  O OD2 . ASP A 1 69  ? -24.903 0.481   -15.436 1.00 21.40 ? 75  ASP B OD2 1 
ATOM   597  N N   . VAL A 1 70  ? -27.815 -2.989  -16.066 1.00 11.13 ? 76  VAL B N   1 
ATOM   598  C CA  . VAL A 1 70  ? -29.247 -3.322  -15.893 1.00 11.66 ? 76  VAL B CA  1 
ATOM   599  C C   . VAL A 1 70  ? -29.927 -2.421  -14.838 1.00 12.02 ? 76  VAL B C   1 
ATOM   600  O O   . VAL A 1 70  ? -31.006 -2.780  -14.364 1.00 12.85 ? 76  VAL B O   1 
ATOM   601  C CB  . VAL A 1 70  ? -29.402 -4.831  -15.556 1.00 11.01 ? 76  VAL B CB  1 
ATOM   602  C CG1 . VAL A 1 70  ? -28.863 -5.767  -16.678 1.00 10.47 ? 76  VAL B CG1 1 
ATOM   603  C CG2 . VAL A 1 70  ? -28.773 -5.207  -14.229 1.00 11.40 ? 76  VAL B CG2 1 
ATOM   604  N N   . THR A 1 71  ? -29.312 -1.278  -14.545 1.00 12.73 ? 77  THR B N   1 
ATOM   605  C CA  . THR A 1 71  ? -29.792 -0.387  -13.453 1.00 14.04 ? 77  THR B CA  1 
ATOM   606  C C   . THR A 1 71  ? -31.288 -0.094  -13.614 1.00 14.52 ? 77  THR B C   1 
ATOM   607  O O   . THR A 1 71  ? -31.744 0.291   -14.681 1.00 13.98 ? 77  THR B O   1 
ATOM   608  C CB  . THR A 1 71  ? -29.007 0.918   -13.430 1.00 14.08 ? 77  THR B CB  1 
ATOM   609  O OG1 . THR A 1 71  ? -27.621 0.647   -13.213 1.00 16.36 ? 77  THR B OG1 1 
ATOM   610  C CG2 . THR A 1 71  ? -29.556 1.850   -12.356 1.00 16.47 ? 77  THR B CG2 1 
ATOM   611  N N   . GLN A 1 72  ? -32.004 -0.289  -12.522 1.00 17.13 ? 78  GLN B N   1 
ATOM   612  C CA  . GLN A 1 72  ? -33.437 0.042   -12.310 1.00 19.22 ? 78  GLN B CA  1 
ATOM   613  C C   . GLN A 1 72  ? -34.384 -0.695  -13.250 1.00 20.36 ? 78  GLN B C   1 
ATOM   614  O O   . GLN A 1 72  ? -35.590 -0.327  -13.327 1.00 25.38 ? 78  GLN B O   1 
ATOM   615  C CB  . GLN A 1 72  ? -33.638 1.555   -12.338 1.00 26.67 ? 78  GLN B CB  1 
ATOM   616  C CG  . GLN A 1 72  ? -33.474 2.212   -13.704 1.00 33.47 ? 78  GLN B CG  1 
ATOM   617  C CD  . GLN A 1 72  ? -34.573 3.211   -13.992 1.00 34.26 ? 78  GLN B CD  1 
ATOM   618  O OE1 . GLN A 1 72  ? -34.361 4.225   -14.661 1.00 38.31 ? 78  GLN B OE1 1 
ATOM   619  N NE2 . GLN A 1 72  ? -35.774 2.889   -13.530 1.00 38.42 ? 78  GLN B NE2 1 
ATOM   620  N N   . LYS A 1 73  ? -33.967 -1.776  -13.903 1.00 14.64 ? 79  LYS B N   1 
ATOM   621  C CA  . LYS A 1 73  ? -34.921 -2.619  -14.618 1.00 13.15 ? 79  LYS B CA  1 
ATOM   622  C C   . LYS A 1 73  ? -35.625 -3.629  -13.721 1.00 11.87 ? 79  LYS B C   1 
ATOM   623  O O   . LYS A 1 73  ? -34.970 -4.181  -12.785 1.00 13.86 ? 79  LYS B O   1 
ATOM   624  C CB  . LYS A 1 73  ? -34.179 -3.307  -15.767 1.00 13.33 ? 79  LYS B CB  1 
ATOM   625  C CG  . LYS A 1 73  ? -33.746 -2.306  -16.868 1.00 12.99 ? 79  LYS B CG  1 
ATOM   626  C CD  . LYS A 1 73  ? -33.218 -2.924  -18.157 1.00 14.04 ? 79  LYS B CD  1 
ATOM   627  C CE  . LYS A 1 73  ? -34.261 -3.679  -18.932 1.00 13.20 ? 79  LYS B CE  1 
ATOM   628  N NZ  . LYS A 1 73  ? -35.501 -2.874  -19.220 1.00 11.51 ? 79  LYS B NZ  1 
ATOM   629  N N   . GLU A 1 74  ? -36.856 -3.931  -14.029 1.00 11.26 ? 80  GLU B N   1 
ATOM   630  C CA  . GLU A 1 74  ? -37.668 -4.959  -13.344 1.00 11.56 ? 80  GLU B CA  1 
ATOM   631  C C   . GLU A 1 74  ? -37.577 -6.322  -14.026 1.00 11.63 ? 80  GLU B C   1 
ATOM   632  O O   . GLU A 1 74  ? -37.997 -7.314  -13.447 1.00 11.95 ? 80  GLU B O   1 
ATOM   633  C CB  . GLU A 1 74  ? -39.151 -4.557  -13.351 1.00 12.49 ? 80  GLU B CB  1 
ATOM   634  C CG  . GLU A 1 74  ? -39.490 -3.305  -12.554 1.00 14.63 ? 80  GLU B CG  1 
ATOM   635  C CD  . GLU A 1 74  ? -40.959 -2.885  -12.660 1.00 14.27 ? 80  GLU B CD  1 
ATOM   636  O OE1 . GLU A 1 74  ? -41.393 -2.051  -11.836 1.00 16.70 ? 80  GLU B OE1 1 
ATOM   637  O OE2 . GLU A 1 74  ? -41.665 -3.420  -13.533 1.00 15.95 ? 80  GLU B OE2 1 
ATOM   638  N N   . ALA A 1 75  ? -37.223 -6.358  -15.317 1.00 10.93 ? 81  ALA B N   1 
ATOM   639  C CA  . ALA A 1 75  ? -37.229 -7.618  -16.079 1.00 11.25 ? 81  ALA B CA  1 
ATOM   640  C C   . ALA A 1 75  ? -36.223 -7.478  -17.206 1.00 11.51 ? 81  ALA B C   1 
ATOM   641  O O   . ALA A 1 75  ? -36.134 -6.396  -17.877 1.00 12.20 ? 81  ALA B O   1 
ATOM   642  C CB  . ALA A 1 75  ? -38.583 -7.924  -16.636 1.00 11.97 ? 81  ALA B CB  1 
ATOM   643  N N   . TRP A 1 76  ? -35.492 -8.558  -17.503 1.00 10.33 ? 82  TRP B N   1 
ATOM   644  C CA  . TRP A 1 76  ? -34.510 -8.637  -18.625 1.00 9.49  ? 82  TRP B CA  1 
ATOM   645  C C   . TRP A 1 76  ? -34.009 -10.061 -18.710 1.00 10.29 ? 82  TRP B C   1 
ATOM   646  O O   . TRP A 1 76  ? -34.133 -10.838 -17.719 1.00 10.71 ? 82  TRP B O   1 
ATOM   647  C CB  . TRP A 1 76  ? -33.347 -7.683  -18.424 1.00 10.89 ? 82  TRP B CB  1 
ATOM   648  C CG  . TRP A 1 76  ? -32.675 -7.713  -17.086 1.00 10.96 ? 82  TRP B CG  1 
ATOM   649  C CD1 . TRP A 1 76  ? -32.859 -6.859  -16.041 1.00 12.17 ? 82  TRP B CD1 1 
ATOM   650  C CD2 . TRP A 1 76  ? -31.699 -8.663  -16.558 1.00 11.24 ? 82  TRP B CD2 1 
ATOM   651  N NE1 . TRP A 1 76  ? -32.115 -7.162  -14.952 1.00 11.38 ? 82  TRP B NE1 1 
ATOM   652  C CE2 . TRP A 1 76  ? -31.398 -8.301  -15.232 1.00 11.16 ? 82  TRP B CE2 1 
ATOM   653  C CE3 . TRP A 1 76  ? -31.051 -9.820  -17.076 1.00 12.10 ? 82  TRP B CE3 1 
ATOM   654  C CZ2 . TRP A 1 76  ? -30.453 -8.949  -14.450 1.00 11.39 ? 82  TRP B CZ2 1 
ATOM   655  C CZ3 . TRP A 1 76  ? -30.155 -10.506 -16.278 1.00 12.14 ? 82  TRP B CZ3 1 
ATOM   656  C CH2 . TRP A 1 76  ? -29.884 -10.081 -14.970 1.00 12.71 ? 82  TRP B CH2 1 
ATOM   657  N N   . ASP A 1 77  ? -33.474 -10.421 -19.868 1.00 9.97  ? 83  ASP B N   1 
ATOM   658  C CA  . ASP A 1 77  ? -32.721 -11.687 -20.093 1.00 9.56  ? 83  ASP B CA  1 
ATOM   659  C C   . ASP A 1 77  ? -31.362 -11.288 -20.659 1.00 9.61  ? 83  ASP B C   1 
ATOM   660  O O   . ASP A 1 77  ? -31.325 -10.401 -21.543 1.00 10.07 ? 83  ASP B O   1 
ATOM   661  C CB  . ASP A 1 77  ? -33.422 -12.653 -21.032 1.00 11.46 ? 83  ASP B CB  1 
ATOM   662  C CG  . ASP A 1 77  ? -34.918 -12.844 -20.939 1.00 12.59 ? 83  ASP B CG  1 
ATOM   663  O OD1 . ASP A 1 77  ? -35.386 -12.764 -19.814 1.00 17.15 ? 83  ASP B OD1 1 
ATOM   664  O OD2 . ASP A 1 77  ? -35.571 -13.072 -21.944 1.00 14.24 ? 83  ASP B OD2 1 
ATOM   665  N N   . LEU A 1 78  ? -30.292 -11.992 -20.301 1.00 8.14  ? 84  LEU B N   1 
ATOM   666  C CA  . LEU A 1 78  ? -28.933 -11.757 -20.846 1.00 9.12  ? 84  LEU B CA  1 
ATOM   667  C C   . LEU A 1 78  ? -28.234 -13.090 -21.031 1.00 8.65  ? 84  LEU B C   1 
ATOM   668  O O   . LEU A 1 78  ? -28.352 -13.986 -20.202 1.00 8.59  ? 84  LEU B O   1 
ATOM   669  C CB  . LEU A 1 78  ? -28.091 -10.896 -19.904 1.00 9.16  ? 84  LEU B CB  1 
ATOM   670  C CG  . LEU A 1 78  ? -28.464 -9.426  -19.756 1.00 10.54 ? 84  LEU B CG  1 
ATOM   671  C CD1 . LEU A 1 78  ? -27.622 -8.798  -18.659 1.00 11.55 ? 84  LEU B CD1 1 
ATOM   672  C CD2 . LEU A 1 78  ? -28.294 -8.691  -21.071 1.00 11.18 ? 84  LEU B CD2 1 
ATOM   673  N N   . GLY A 1 79  ? -27.411 -13.146 -22.073 1.00 8.16  ? 85  GLY B N   1 
ATOM   674  C CA  . GLY A 1 79  ? -26.435 -14.255 -22.184 1.00 8.56  ? 85  GLY B CA  1 
ATOM   675  C C   . GLY A 1 79  ? -25.930 -14.333 -23.611 1.00 7.98  ? 85  GLY B C   1 
ATOM   676  O O   . GLY A 1 79  ? -25.536 -13.309 -24.218 1.00 8.39  ? 85  GLY B O   1 
ATOM   677  N N   A VAL A 1 80  ? -25.849 -15.565 -24.120 0.25 7.77  ? 86  VAL B N   1 
ATOM   678  N N   B VAL A 1 80  ? -25.961 -15.536 -24.157 0.25 8.76  ? 86  VAL B N   1 
ATOM   679  C CA  A VAL A 1 80  ? -25.495 -15.861 -25.534 0.25 7.59  ? 86  VAL B CA  1 
ATOM   680  C CA  B VAL A 1 80  ? -25.398 -15.802 -25.499 0.25 9.18  ? 86  VAL B CA  1 
ATOM   681  C C   A VAL A 1 80  ? -26.509 -16.824 -26.128 0.25 7.99  ? 86  VAL B C   1 
ATOM   682  C C   B VAL A 1 80  ? -26.289 -16.889 -26.117 0.25 9.07  ? 86  VAL B C   1 
ATOM   683  O O   A VAL A 1 80  ? -27.272 -17.528 -25.431 0.25 8.24  ? 86  VAL B O   1 
ATOM   684  O O   B VAL A 1 80  ? -26.857 -17.696 -25.370 0.25 9.43  ? 86  VAL B O   1 
ATOM   685  C CB  A VAL A 1 80  ? -24.093 -16.478 -25.692 0.25 7.38  ? 86  VAL B CB  1 
ATOM   686  C CB  B VAL A 1 80  ? -23.905 -16.164 -25.336 0.25 10.48 ? 86  VAL B CB  1 
ATOM   687  C CG1 A VAL A 1 80  ? -23.037 -15.446 -25.355 0.25 6.94  ? 86  VAL B CG1 1 
ATOM   688  C CG1 B VAL A 1 80  ? -23.707 -17.512 -24.661 0.25 10.37 ? 86  VAL B CG1 1 
ATOM   689  C CG2 A VAL A 1 80  ? -23.917 -17.731 -24.843 0.25 7.57  ? 86  VAL B CG2 1 
ATOM   690  C CG2 B VAL A 1 80  ? -23.137 -16.061 -26.625 0.25 11.44 ? 86  VAL B CG2 1 
ATOM   691  N N   . CYS A 1 81  ? -26.453 -16.890 -27.450 1.00 8.76  ? 87  CYS B N   1 
ATOM   692  C CA  . CYS A 1 81  ? -27.283 -17.870 -28.137 1.00 9.12  ? 87  CYS B CA  1 
ATOM   693  C C   . CYS A 1 81  ? -26.614 -18.282 -29.440 1.00 9.00  ? 87  CYS B C   1 
ATOM   694  O O   . CYS A 1 81  ? -25.738 -17.588 -29.972 1.00 9.43  ? 87  CYS B O   1 
ATOM   695  C CB  . CYS A 1 81  ? -28.700 -17.348 -28.414 1.00 9.82  ? 87  CYS B CB  1 
ATOM   696  S SG  . CYS A 1 81  ? -28.776 -15.929 -29.536 1.00 10.63 ? 87  CYS B SG  1 
ATOM   697  N N   A ARG A 1 82  ? -27.056 -19.420 -29.950 0.25 9.90  ? 88  ARG B N   1 
ATOM   698  N N   B ARG A 1 82  ? -27.021 -19.442 -29.938 0.25 8.75  ? 88  ARG B N   1 
ATOM   699  C CA  A ARG A 1 82  ? -26.645 -19.839 -31.310 0.25 10.93 ? 88  ARG B CA  1 
ATOM   700  C CA  B ARG A 1 82  ? -26.580 -19.907 -31.281 0.25 9.00  ? 88  ARG B CA  1 
ATOM   701  C C   A ARG A 1 82  ? -27.062 -18.785 -32.336 0.25 10.00 ? 88  ARG B C   1 
ATOM   702  C C   B ARG A 1 82  ? -27.102 -18.943 -32.359 0.25 9.18  ? 88  ARG B C   1 
ATOM   703  O O   A ARG A 1 82  ? -28.100 -18.122 -32.220 0.25 9.10  ? 88  ARG B O   1 
ATOM   704  O O   B ARG A 1 82  ? -28.291 -18.521 -32.274 0.25 9.48  ? 88  ARG B O   1 
ATOM   705  C CB  A ARG A 1 82  ? -27.296 -21.167 -31.681 0.25 12.94 ? 88  ARG B CB  1 
ATOM   706  C CB  B ARG A 1 82  ? -27.133 -21.311 -31.539 0.25 9.15  ? 88  ARG B CB  1 
ATOM   707  C CG  A ARG A 1 82  ? -26.702 -22.332 -30.914 0.25 15.70 ? 88  ARG B CG  1 
ATOM   708  C CG  B ARG A 1 82  ? -26.424 -22.059 -32.661 0.25 8.90  ? 88  ARG B CG  1 
ATOM   709  C CD  A ARG A 1 82  ? -27.199 -23.674 -31.410 0.25 17.62 ? 88  ARG B CD  1 
ATOM   710  C CD  B ARG A 1 82  ? -26.989 -23.433 -32.937 0.25 9.38  ? 88  ARG B CD  1 
ATOM   711  N NE  A ARG A 1 82  ? -27.018 -24.711 -30.398 0.25 18.53 ? 88  ARG B NE  1 
ATOM   712  N NE  B ARG A 1 82  ? -26.839 -24.249 -31.772 0.25 9.28  ? 88  ARG B NE  1 
ATOM   713  C CZ  A ARG A 1 82  ? -27.953 -25.569 -30.035 0.25 18.92 ? 88  ARG B CZ  1 
ATOM   714  C CZ  B ARG A 1 82  ? -27.841 -24.824 -31.113 0.25 9.31  ? 88  ARG B CZ  1 
ATOM   715  N NH1 A ARG A 1 82  ? -29.141 -25.543 -30.609 0.25 19.39 ? 88  ARG B NH1 1 
ATOM   716  N NH1 B ARG A 1 82  ? -29.069 -24.775 -31.580 0.25 10.18 ? 88  ARG B NH1 1 
ATOM   717  N NH2 A ARG A 1 82  ? -27.684 -26.467 -29.108 0.25 21.39 ? 88  ARG B NH2 1 
ATOM   718  N NH2 B ARG A 1 82  ? -27.564 -25.461 -29.987 0.25 8.96  ? 88  ARG B NH2 1 
ATOM   719  N N   . ASP A 1 83  ? -26.277 -18.662 -33.388 1.00 10.56 ? 89  ASP B N   1 
ATOM   720  C CA  . ASP A 1 83  ? -26.665 -17.748 -34.485 1.00 11.76 ? 89  ASP B CA  1 
ATOM   721  C C   . ASP A 1 83  ? -27.970 -18.232 -35.095 1.00 12.28 ? 89  ASP B C   1 
ATOM   722  O O   . ASP A 1 83  ? -28.699 -17.356 -35.647 1.00 16.90 ? 89  ASP B O   1 
ATOM   723  C CB  . ASP A 1 83  ? -25.548 -17.661 -35.524 1.00 12.74 ? 89  ASP B CB  1 
ATOM   724  C CG  . ASP A 1 83  ? -25.182 -18.929 -36.258 1.00 13.71 ? 89  ASP B CG  1 
ATOM   725  O OD1 . ASP A 1 83  ? -25.645 -20.011 -35.884 1.00 16.20 ? 89  ASP B OD1 1 
ATOM   726  O OD2 . ASP A 1 83  ? -24.400 -18.764 -37.248 1.00 15.97 ? 89  ASP B OD2 1 
ATOM   727  N N   . SER A 1 84  ? -28.338 -19.491 -35.067 1.00 10.87 ? 90  SER B N   1 
ATOM   728  C CA  . SER A 1 84  ? -29.517 -19.997 -35.793 1.00 13.35 ? 90  SER B CA  1 
ATOM   729  C C   . SER A 1 84  ? -30.755 -20.195 -34.910 1.00 12.17 ? 90  SER B C   1 
ATOM   730  O O   . SER A 1 84  ? -31.660 -20.924 -35.286 1.00 13.51 ? 90  SER B O   1 
ATOM   731  C CB  . SER A 1 84  ? -29.161 -21.267 -36.473 1.00 15.43 ? 90  SER B CB  1 
ATOM   732  O OG  . SER A 1 84  ? -28.679 -22.191 -35.566 1.00 15.18 ? 90  SER B OG  1 
ATOM   733  N N   . VAL A 1 85  ? -30.795 -19.577 -33.725 1.00 11.35 ? 91  VAL B N   1 
ATOM   734  C CA  . VAL A 1 85  ? -32.017 -19.701 -32.895 1.00 11.18 ? 91  VAL B CA  1 
ATOM   735  C C   . VAL A 1 85  ? -33.255 -19.201 -33.667 1.00 12.02 ? 91  VAL B C   1 
ATOM   736  O O   . VAL A 1 85  ? -33.168 -18.264 -34.501 1.00 12.33 ? 91  VAL B O   1 
ATOM   737  C CB  . VAL A 1 85  ? -31.904 -18.962 -31.556 1.00 11.10 ? 91  VAL B CB  1 
ATOM   738  C CG1 . VAL A 1 85  ? -30.869 -19.628 -30.649 1.00 10.72 ? 91  VAL B CG1 1 
ATOM   739  C CG2 . VAL A 1 85  ? -31.697 -17.474 -31.706 1.00 10.55 ? 91  VAL B CG2 1 
ATOM   740  N N   . GLN A 1 86  ? -34.365 -19.825 -33.330 1.00 12.73 ? 92  GLN B N   1 
ATOM   741  C CA  . GLN A 1 86  ? -35.718 -19.384 -33.774 1.00 13.72 ? 92  GLN B CA  1 
ATOM   742  C C   . GLN A 1 86  ? -35.942 -17.889 -33.466 1.00 12.77 ? 92  GLN B C   1 
ATOM   743  O O   . GLN A 1 86  ? -35.609 -17.435 -32.399 1.00 13.80 ? 92  GLN B O   1 
ATOM   744  C CB  . GLN A 1 86  ? -36.733 -20.260 -33.038 1.00 15.96 ? 92  GLN B CB  1 
ATOM   745  C CG  . GLN A 1 86  ? -38.219 -19.955 -33.261 1.00 18.72 ? 92  GLN B CG  1 
ATOM   746  C CD  . GLN A 1 86  ? -39.141 -20.810 -32.406 1.00 20.27 ? 92  GLN B CD  1 
ATOM   747  O OE1 . GLN A 1 86  ? -38.737 -21.791 -31.764 1.00 23.29 ? 92  GLN B OE1 1 
ATOM   748  N NE2 . GLN A 1 86  ? -40.423 -20.459 -32.363 1.00 21.78 ? 92  GLN B NE2 1 
ATOM   749  N N   . ARG A 1 87  ? -36.533 -17.176 -34.439 1.00 12.57 ? 93  ARG B N   1 
ATOM   750  C CA  . ARG A 1 87  ? -36.809 -15.717 -34.324 1.00 13.27 ? 93  ARG B CA  1 
ATOM   751  C C   . ARG A 1 87  ? -38.310 -15.487 -34.180 1.00 12.80 ? 93  ARG B C   1 
ATOM   752  O O   . ARG A 1 87  ? -38.704 -14.485 -33.553 1.00 13.77 ? 93  ARG B O   1 
ATOM   753  C CB  . ARG A 1 87  ? -36.279 -14.921 -35.500 1.00 13.76 ? 93  ARG B CB  1 
ATOM   754  C CG  . ARG A 1 87  ? -34.802 -15.135 -35.810 1.00 12.88 ? 93  ARG B CG  1 
ATOM   755  C CD  . ARG A 1 87  ? -33.895 -14.878 -34.594 1.00 12.29 ? 93  ARG B CD  1 
ATOM   756  N NE  . ARG A 1 87  ? -32.531 -15.340 -34.926 1.00 14.14 ? 93  ARG B NE  1 
ATOM   757  C CZ  . ARG A 1 87  ? -31.639 -14.628 -35.580 1.00 13.31 ? 93  ARG B CZ  1 
ATOM   758  N NH1 . ARG A 1 87  ? -31.913 -13.396 -35.974 1.00 14.34 ? 93  ARG B NH1 1 
ATOM   759  N NH2 . ARG A 1 87  ? -30.462 -15.136 -35.897 1.00 15.66 ? 93  ARG B NH2 1 
ATOM   760  N N   . LYS A 1 88  ? -39.158 -16.326 -34.779 1.00 13.45 ? 94  LYS B N   1 
ATOM   761  C CA  . LYS A 1 88  ? -40.620 -16.043 -34.897 1.00 13.67 ? 94  LYS B CA  1 
ATOM   762  C C   . LYS A 1 88  ? -41.406 -16.961 -33.985 1.00 14.64 ? 94  LYS B C   1 
ATOM   763  O O   . LYS A 1 88  ? -41.053 -18.163 -33.865 1.00 16.82 ? 94  LYS B O   1 
ATOM   764  C CB  . LYS A 1 88  ? -41.058 -16.250 -36.349 1.00 14.79 ? 94  LYS B CB  1 
ATOM   765  C CG  . LYS A 1 88  ? -40.263 -15.481 -37.375 1.00 16.44 ? 94  LYS B CG  1 
ATOM   766  C CD  . LYS A 1 88  ? -40.231 -13.964 -37.124 1.00 15.41 ? 94  LYS B CD  1 
ATOM   767  C CE  . LYS A 1 88  ? -39.464 -13.262 -38.210 1.00 16.80 ? 94  LYS B CE  1 
ATOM   768  N NZ  . LYS A 1 88  ? -39.422 -11.780 -38.043 1.00 16.02 ? 94  LYS B NZ  1 
ATOM   769  N N   . GLY A 1 89  ? -42.460 -16.471 -33.380 1.00 15.20 ? 95  GLY B N   1 
ATOM   770  C CA  . GLY A 1 89  ? -43.338 -17.299 -32.559 1.00 15.98 ? 95  GLY B CA  1 
ATOM   771  C C   . GLY A 1 89  ? -42.852 -17.428 -31.138 1.00 16.73 ? 95  GLY B C   1 
ATOM   772  O O   . GLY A 1 89  ? -41.846 -16.715 -30.718 1.00 16.54 ? 95  GLY B O   1 
ATOM   773  N N   . GLN A 1 90  ? -43.463 -18.342 -30.411 1.00 16.93 ? 96  GLN B N   1 
ATOM   774  C CA  . GLN A 1 90  ? -43.200 -18.560 -28.982 1.00 19.07 ? 96  GLN B CA  1 
ATOM   775  C C   . GLN A 1 90  ? -42.127 -19.617 -28.816 1.00 18.29 ? 96  GLN B C   1 
ATOM   776  O O   . GLN A 1 90  ? -42.061 -20.534 -29.619 1.00 19.80 ? 96  GLN B O   1 
ATOM   777  C CB  . GLN A 1 90  ? -44.475 -19.019 -28.273 1.00 22.14 ? 96  GLN B CB  1 
ATOM   778  C CG  . GLN A 1 90  ? -45.598 -18.019 -28.418 1.00 27.84 ? 96  GLN B CG  1 
ATOM   779  C CD  . GLN A 1 90  ? -46.755 -18.367 -27.525 1.00 36.16 ? 96  GLN B CD  1 
ATOM   780  O OE1 . GLN A 1 90  ? -46.976 -17.732 -26.495 1.00 47.01 ? 96  GLN B OE1 1 
ATOM   781  N NE2 . GLN A 1 90  ? -47.470 -19.413 -27.903 1.00 43.57 ? 96  GLN B NE2 1 
ATOM   782  N N   . PHE A 1 91  ? -41.247 -19.429 -27.836 1.00 15.28 ? 97  PHE B N   1 
ATOM   783  C CA  . PHE A 1 91  ? -40.212 -20.416 -27.504 1.00 15.31 ? 97  PHE B CA  1 
ATOM   784  C C   . PHE A 1 91  ? -39.708 -20.131 -26.101 1.00 14.62 ? 97  PHE B C   1 
ATOM   785  O O   . PHE A 1 91  ? -39.829 -19.045 -25.586 1.00 15.73 ? 97  PHE B O   1 
ATOM   786  C CB  . PHE A 1 91  ? -39.038 -20.381 -28.491 1.00 14.84 ? 97  PHE B CB  1 
ATOM   787  C CG  . PHE A 1 91  ? -38.408 -19.019 -28.630 1.00 14.06 ? 97  PHE B CG  1 
ATOM   788  C CD1 . PHE A 1 91  ? -37.392 -18.609 -27.773 1.00 14.54 ? 97  PHE B CD1 1 
ATOM   789  C CD2 . PHE A 1 91  ? -38.789 -18.157 -29.637 1.00 13.94 ? 97  PHE B CD2 1 
ATOM   790  C CE1 . PHE A 1 91  ? -36.805 -17.362 -27.903 1.00 13.81 ? 97  PHE B CE1 1 
ATOM   791  C CE2 . PHE A 1 91  ? -38.183 -16.920 -29.800 1.00 14.25 ? 97  PHE B CE2 1 
ATOM   792  C CZ  . PHE A 1 91  ? -37.202 -16.540 -28.919 1.00 14.19 ? 97  PHE B CZ  1 
ATOM   793  N N   A SER A 1 92  ? -39.145 -21.141 -25.447 0.25 15.27 ? 98  SER B N   1 
ATOM   794  N N   B SER A 1 92  ? -39.115 -21.161 -25.504 0.25 14.69 ? 98  SER B N   1 
ATOM   795  C CA  A SER A 1 92  ? -38.498 -20.978 -24.121 0.25 15.30 ? 98  SER B CA  1 
ATOM   796  C CA  B SER A 1 92  ? -38.455 -21.117 -24.177 0.25 14.41 ? 98  SER B CA  1 
ATOM   797  C C   A SER A 1 92  ? -36.987 -20.812 -24.290 0.25 13.76 ? 98  SER B C   1 
ATOM   798  C C   B SER A 1 92  ? -36.967 -20.780 -24.344 0.25 13.20 ? 98  SER B C   1 
ATOM   799  O O   A SER A 1 92  ? -36.396 -21.411 -25.205 0.25 13.80 ? 98  SER B O   1 
ATOM   800  O O   B SER A 1 92  ? -36.371 -21.181 -25.379 0.25 13.03 ? 98  SER B O   1 
ATOM   801  C CB  A SER A 1 92  ? -38.767 -22.133 -23.214 0.25 17.61 ? 98  SER B CB  1 
ATOM   802  C CB  B SER A 1 92  ? -38.626 -22.427 -23.453 0.25 15.71 ? 98  SER B CB  1 
ATOM   803  O OG  A SER A 1 92  ? -38.438 -23.337 -23.879 0.25 20.46 ? 98  SER B OG  1 
ATOM   804  O OG  B SER A 1 92  ? -39.982 -22.597 -23.044 0.25 17.44 ? 98  SER B OG  1 
ATOM   805  N N   . LEU A 1 93  ? -36.390 -20.064 -23.376 1.00 13.03 ? 99  LEU B N   1 
ATOM   806  C CA  . LEU A 1 93  ? -34.937 -19.881 -23.320 1.00 12.99 ? 99  LEU B CA  1 
ATOM   807  C C   . LEU A 1 93  ? -34.344 -21.085 -22.626 1.00 12.93 ? 99  LEU B C   1 
ATOM   808  O O   . LEU A 1 93  ? -34.424 -21.202 -21.399 1.00 15.21 ? 99  LEU B O   1 
ATOM   809  C CB  . LEU A 1 93  ? -34.576 -18.619 -22.561 1.00 13.52 ? 99  LEU B CB  1 
ATOM   810  C CG  . LEU A 1 93  ? -35.053 -17.321 -23.187 1.00 14.69 ? 99  LEU B CG  1 
ATOM   811  C CD1 . LEU A 1 93  ? -34.633 -16.100 -22.355 1.00 15.43 ? 99  LEU B CD1 1 
ATOM   812  C CD2 . LEU A 1 93  ? -34.563 -17.142 -24.607 1.00 15.48 ? 99  LEU B CD2 1 
ATOM   813  N N   . SER A 1 94  ? -33.688 -21.974 -23.365 1.00 12.11 ? 100 SER B N   1 
ATOM   814  C CA  . SER A 1 94  ? -33.098 -23.217 -22.834 1.00 12.26 ? 100 SER B CA  1 
ATOM   815  C C   . SER A 1 94  ? -31.886 -23.557 -23.675 1.00 11.05 ? 100 SER B C   1 
ATOM   816  O O   . SER A 1 94  ? -31.893 -23.241 -24.878 1.00 11.09 ? 100 SER B O   1 
ATOM   817  C CB  . SER A 1 94  ? -34.082 -24.392 -22.843 1.00 13.87 ? 100 SER B CB  1 
ATOM   818  O OG  . SER A 1 94  ? -34.440 -24.660 -24.181 1.00 16.08 ? 100 SER B OG  1 
ATOM   819  N N   . PRO A 1 95  ? -30.933 -24.322 -23.149 1.00 11.16 ? 101 PRO B N   1 
ATOM   820  C CA  . PRO A 1 95  ? -29.860 -24.849 -23.993 1.00 12.30 ? 101 PRO B CA  1 
ATOM   821  C C   . PRO A 1 95  ? -30.370 -25.727 -25.138 1.00 11.65 ? 101 PRO B C   1 
ATOM   822  O O   . PRO A 1 95  ? -29.828 -25.622 -26.247 1.00 12.54 ? 101 PRO B O   1 
ATOM   823  C CB  . PRO A 1 95  ? -28.962 -25.620 -23.003 1.00 13.11 ? 101 PRO B CB  1 
ATOM   824  C CG  . PRO A 1 95  ? -29.212 -24.901 -21.688 1.00 13.69 ? 101 PRO B CG  1 
ATOM   825  C CD  . PRO A 1 95  ? -30.685 -24.583 -21.721 1.00 12.61 ? 101 PRO B CD  1 
ATOM   826  N N   . GLU A 1 96  ? -31.445 -26.466 -24.930 1.00 12.20 ? 102 GLU B N   1 
ATOM   827  C CA  . GLU A 1 96  ? -32.025 -27.308 -26.011 1.00 15.19 ? 102 GLU B CA  1 
ATOM   828  C C   . GLU A 1 96  ? -32.424 -26.426 -27.194 1.00 14.05 ? 102 GLU B C   1 
ATOM   829  O O   . GLU A 1 96  ? -32.386 -26.857 -28.378 1.00 15.50 ? 102 GLU B O   1 
ATOM   830  C CB  . GLU A 1 96  ? -33.218 -28.100 -25.497 1.00 19.49 ? 102 GLU B CB  1 
ATOM   831  C CG  . GLU A 1 96  ? -32.888 -28.960 -24.300 1.00 27.91 ? 102 GLU B CG  1 
ATOM   832  C CD  . GLU A 1 96  ? -33.212 -28.373 -22.927 1.00 31.84 ? 102 GLU B CD  1 
ATOM   833  O OE1 . GLU A 1 96  ? -32.382 -27.581 -22.341 1.00 22.21 ? 102 GLU B OE1 1 
ATOM   834  O OE2 . GLU A 1 96  ? -34.284 -28.779 -22.392 1.00 44.24 ? 102 GLU B OE2 1 
ATOM   835  N N   . ASN A 1 97  ? -32.883 -25.195 -26.959 1.00 12.42 ? 103 ASN B N   1 
ATOM   836  C CA  . ASN A 1 97  ? -33.297 -24.267 -28.032 1.00 12.66 ? 103 ASN B CA  1 
ATOM   837  C C   . ASN A 1 97  ? -32.136 -23.357 -28.432 1.00 11.37 ? 103 ASN B C   1 
ATOM   838  O O   . ASN A 1 97  ? -32.320 -22.484 -29.280 1.00 11.97 ? 103 ASN B O   1 
ATOM   839  C CB  . ASN A 1 97  ? -34.496 -23.408 -27.599 1.00 13.59 ? 103 ASN B CB  1 
ATOM   840  C CG  . ASN A 1 97  ? -35.784 -24.186 -27.575 1.00 15.72 ? 103 ASN B CG  1 
ATOM   841  O OD1 . ASN A 1 97  ? -35.894 -25.279 -28.173 1.00 18.90 ? 103 ASN B OD1 1 
ATOM   842  N ND2 . ASN A 1 97  ? -36.731 -23.709 -26.781 1.00 16.76 ? 103 ASN B ND2 1 
ATOM   843  N N   . GLY A 1 98  ? -30.924 -23.523 -27.911 1.00 10.03 ? 104 GLY B N   1 
ATOM   844  C CA  . GLY A 1 98  ? -29.768 -22.732 -28.329 1.00 9.77  ? 104 GLY B CA  1 
ATOM   845  C C   . GLY A 1 98  ? -29.506 -21.447 -27.558 1.00 8.37  ? 104 GLY B C   1 
ATOM   846  O O   . GLY A 1 98  ? -28.845 -20.559 -28.064 1.00 9.43  ? 104 GLY B O   1 
ATOM   847  N N   . PHE A 1 99  ? -29.934 -21.402 -26.274 1.00 8.89  ? 105 PHE B N   1 
ATOM   848  C CA  . PHE A 1 99  ? -29.737 -20.201 -25.409 1.00 8.54  ? 105 PHE B CA  1 
ATOM   849  C C   . PHE A 1 99  ? -29.029 -20.553 -24.094 1.00 8.21  ? 105 PHE B C   1 
ATOM   850  O O   . PHE A 1 99  ? -29.474 -21.562 -23.475 1.00 9.78  ? 105 PHE B O   1 
ATOM   851  C CB  . PHE A 1 99  ? -31.089 -19.564 -25.058 1.00 8.76  ? 105 PHE B CB  1 
ATOM   852  C CG  . PHE A 1 99  ? -31.887 -19.053 -26.241 1.00 9.44  ? 105 PHE B CG  1 
ATOM   853  C CD1 . PHE A 1 99  ? -32.794 -19.878 -26.890 1.00 10.48 ? 105 PHE B CD1 1 
ATOM   854  C CD2 . PHE A 1 99  ? -31.772 -17.752 -26.686 1.00 10.02 ? 105 PHE B CD2 1 
ATOM   855  C CE1 . PHE A 1 99  ? -33.528 -19.418 -27.983 1.00 11.09 ? 105 PHE B CE1 1 
ATOM   856  C CE2 . PHE A 1 99  ? -32.496 -17.301 -27.764 1.00 10.62 ? 105 PHE B CE2 1 
ATOM   857  C CZ  . PHE A 1 99  ? -33.389 -18.120 -28.385 1.00 10.78 ? 105 PHE B CZ  1 
ATOM   858  N N   . TRP A 1 100 ? -28.085 -19.749 -23.688 1.00 7.74  ? 106 TRP B N   1 
ATOM   859  C CA  . TRP A 1 100 ? -27.418 -19.835 -22.376 1.00 8.24  ? 106 TRP B CA  1 
ATOM   860  C C   . TRP A 1 100 ? -27.562 -18.456 -21.733 1.00 7.37  ? 106 TRP B C   1 
ATOM   861  O O   . TRP A 1 100 ? -26.815 -17.544 -22.038 1.00 8.21  ? 106 TRP B O   1 
ATOM   862  C CB  . TRP A 1 100 ? -25.964 -20.296 -22.539 1.00 8.61  ? 106 TRP B CB  1 
ATOM   863  C CG  . TRP A 1 100 ? -25.857 -21.663 -23.160 1.00 8.67  ? 106 TRP B CG  1 
ATOM   864  C CD1 . TRP A 1 100 ? -25.764 -22.860 -22.516 1.00 9.96  ? 106 TRP B CD1 1 
ATOM   865  C CD2 . TRP A 1 100 ? -25.903 -21.991 -24.565 1.00 8.79  ? 106 TRP B CD2 1 
ATOM   866  N NE1 . TRP A 1 100 ? -25.813 -23.915 -23.411 1.00 10.04 ? 106 TRP B NE1 1 
ATOM   867  C CE2 . TRP A 1 100 ? -25.856 -23.402 -24.673 1.00 9.68  ? 106 TRP B CE2 1 
ATOM   868  C CE3 . TRP A 1 100 ? -25.992 -21.248 -25.742 1.00 9.20  ? 106 TRP B CE3 1 
ATOM   869  C CZ2 . TRP A 1 100 ? -25.945 -24.049 -25.915 1.00 10.72 ? 106 TRP B CZ2 1 
ATOM   870  C CZ3 . TRP A 1 100 ? -26.027 -21.899 -26.969 1.00 10.81 ? 106 TRP B CZ3 1 
ATOM   871  C CH2 . TRP A 1 100 ? -26.052 -23.265 -27.028 1.00 11.32 ? 106 TRP B CH2 1 
ATOM   872  N N   . THR A 1 101 ? -28.531 -18.370 -20.812 1.00 7.80  ? 107 THR B N   1 
ATOM   873  C CA  . THR A 1 101 ? -29.052 -17.071 -20.339 1.00 8.08  ? 107 THR B CA  1 
ATOM   874  C C   . THR A 1 101 ? -29.351 -17.120 -18.828 1.00 8.21  ? 107 THR B C   1 
ATOM   875  O O   . THR A 1 101 ? -29.645 -18.194 -18.287 1.00 8.78  ? 107 THR B O   1 
ATOM   876  C CB  . THR A 1 101 ? -30.316 -16.638 -21.093 1.00 8.53  ? 107 THR B CB  1 
ATOM   877  O OG1 . THR A 1 101 ? -31.375 -17.538 -20.874 1.00 9.60  ? 107 THR B OG1 1 
ATOM   878  C CG2 . THR A 1 101 ? -30.055 -16.429 -22.571 1.00 9.09  ? 107 THR B CG2 1 
ATOM   879  N N   . ILE A 1 102 ? -29.403 -15.939 -18.244 1.00 8.21  ? 108 ILE B N   1 
ATOM   880  C CA  . ILE A 1 102 ? -30.042 -15.702 -16.913 1.00 8.60  ? 108 ILE B CA  1 
ATOM   881  C C   . ILE A 1 102 ? -31.059 -14.589 -17.112 1.00 8.40  ? 108 ILE B C   1 
ATOM   882  O O   . ILE A 1 102 ? -30.986 -13.823 -18.109 1.00 8.74  ? 108 ILE B O   1 
ATOM   883  C CB  . ILE A 1 102 ? -29.006 -15.397 -15.807 1.00 9.22  ? 108 ILE B CB  1 
ATOM   884  C CG1 . ILE A 1 102 ? -28.310 -14.052 -16.005 1.00 10.18 ? 108 ILE B CG1 1 
ATOM   885  C CG2 . ILE A 1 102 ? -28.019 -16.558 -15.686 1.00 9.28  ? 108 ILE B CG2 1 
ATOM   886  C CD1 . ILE A 1 102 ? -27.508 -13.542 -14.801 1.00 10.87 ? 108 ILE B CD1 1 
ATOM   887  N N   . TRP A 1 103 ? -31.932 -14.439 -16.128 1.00 8.75  ? 109 TRP B N   1 
ATOM   888  C CA  . TRP A 1 103 ? -32.940 -13.368 -16.183 1.00 8.86  ? 109 TRP B CA  1 
ATOM   889  C C   . TRP A 1 103 ? -33.338 -12.890 -14.818 1.00 9.34  ? 109 TRP B C   1 
ATOM   890  O O   . TRP A 1 103 ? -33.178 -13.577 -13.774 1.00 10.12 ? 109 TRP B O   1 
ATOM   891  C CB  . TRP A 1 103 ? -34.106 -13.758 -17.025 1.00 11.65 ? 109 TRP B CB  1 
ATOM   892  C CG  . TRP A 1 103 ? -34.904 -14.875 -16.513 1.00 14.26 ? 109 TRP B CG  1 
ATOM   893  C CD1 . TRP A 1 103 ? -35.841 -14.862 -15.516 1.00 14.40 ? 109 TRP B CD1 1 
ATOM   894  C CD2 . TRP A 1 103 ? -35.011 -16.142 -17.148 1.00 14.36 ? 109 TRP B CD2 1 
ATOM   895  N NE1 . TRP A 1 103 ? -36.490 -16.050 -15.470 1.00 17.00 ? 109 TRP B NE1 1 
ATOM   896  C CE2 . TRP A 1 103 ? -36.009 -16.878 -16.452 1.00 15.34 ? 109 TRP B CE2 1 
ATOM   897  C CE3 . TRP A 1 103 ? -34.363 -16.706 -18.242 1.00 15.44 ? 109 TRP B CE3 1 
ATOM   898  C CZ2 . TRP A 1 103 ? -36.372 -18.170 -16.823 1.00 18.84 ? 109 TRP B CZ2 1 
ATOM   899  C CZ3 . TRP A 1 103 ? -34.726 -17.982 -18.598 1.00 18.14 ? 109 TRP B CZ3 1 
ATOM   900  C CH2 . TRP A 1 103 ? -35.701 -18.680 -17.911 1.00 17.20 ? 109 TRP B CH2 1 
ATOM   901  N N   . LEU A 1 104 ? -33.956 -11.699 -14.828 1.00 9.07  ? 110 LEU B N   1 
ATOM   902  C CA  . LEU A 1 104 ? -34.731 -11.153 -13.681 1.00 9.36  ? 110 LEU B CA  1 
ATOM   903  C C   . LEU A 1 104 ? -36.179 -11.140 -14.089 1.00 9.71  ? 110 LEU B C   1 
ATOM   904  O O   . LEU A 1 104 ? -36.510 -10.637 -15.180 1.00 9.75  ? 110 LEU B O   1 
ATOM   905  C CB  . LEU A 1 104 ? -34.282 -9.742  -13.400 1.00 10.46 ? 110 LEU B CB  1 
ATOM   906  C CG  . LEU A 1 104 ? -35.107 -8.972  -12.362 1.00 11.16 ? 110 LEU B CG  1 
ATOM   907  C CD1 . LEU A 1 104 ? -35.105 -9.630  -10.982 1.00 11.73 ? 110 LEU B CD1 1 
ATOM   908  C CD2 . LEU A 1 104 ? -34.628 -7.549  -12.242 1.00 12.47 ? 110 LEU B CD2 1 
ATOM   909  N N   . TRP A 1 105 ? -37.079 -11.597 -13.198 1.00 10.23 ? 111 TRP B N   1 
ATOM   910  C CA  . TRP A 1 105 ? -38.519 -11.577 -13.427 1.00 11.76 ? 111 TRP B CA  1 
ATOM   911  C C   . TRP A 1 105 ? -39.195 -11.611 -12.057 1.00 13.20 ? 111 TRP B C   1 
ATOM   912  O O   . TRP A 1 105 ? -38.939 -12.525 -11.260 1.00 13.55 ? 111 TRP B O   1 
ATOM   913  C CB  . TRP A 1 105 ? -38.928 -12.794 -14.252 1.00 13.75 ? 111 TRP B CB  1 
ATOM   914  C CG  . TRP A 1 105 ? -40.389 -12.926 -14.413 1.00 16.32 ? 111 TRP B CG  1 
ATOM   915  C CD1 . TRP A 1 105 ? -41.225 -13.841 -13.850 1.00 18.40 ? 111 TRP B CD1 1 
ATOM   916  C CD2 . TRP A 1 105 ? -41.170 -12.077 -15.241 1.00 16.50 ? 111 TRP B CD2 1 
ATOM   917  N NE1 . TRP A 1 105 ? -42.490 -13.588 -14.278 1.00 19.31 ? 111 TRP B NE1 1 
ATOM   918  C CE2 . TRP A 1 105 ? -42.498 -12.537 -15.137 1.00 17.83 ? 111 TRP B CE2 1 
ATOM   919  C CE3 . TRP A 1 105 ? -40.884 -10.989 -16.065 1.00 16.65 ? 111 TRP B CE3 1 
ATOM   920  C CZ2 . TRP A 1 105 ? -43.546 -11.936 -15.827 1.00 21.28 ? 111 TRP B CZ2 1 
ATOM   921  C CZ3 . TRP A 1 105 ? -41.931 -10.379 -16.727 1.00 21.14 ? 111 TRP B CZ3 1 
ATOM   922  C CH2 . TRP A 1 105 ? -43.246 -10.821 -16.579 1.00 21.83 ? 111 TRP B CH2 1 
ATOM   923  N N   . GLN A 1 106 ? -40.087 -10.633 -11.797 1.00 11.90 ? 112 GLN B N   1 
ATOM   924  C CA  . GLN A 1 106 ? -40.920 -10.632 -10.537 1.00 12.84 ? 112 GLN B CA  1 
ATOM   925  C C   . GLN A 1 106 ? -40.024 -10.828 -9.331  1.00 14.02 ? 112 GLN B C   1 
ATOM   926  O O   . GLN A 1 106 ? -40.395 -11.678 -8.437  1.00 15.68 ? 112 GLN B O   1 
ATOM   927  C CB  . GLN A 1 106 ? -42.043 -11.645 -10.663 1.00 13.10 ? 112 GLN B CB  1 
ATOM   928  C CG  . GLN A 1 106 ? -42.956 -11.284 -11.798 1.00 14.24 ? 112 GLN B CG  1 
ATOM   929  C CD  . GLN A 1 106 ? -44.225 -12.074 -11.888 1.00 15.96 ? 112 GLN B CD  1 
ATOM   930  O OE1 . GLN A 1 106 ? -45.144 -11.743 -12.660 1.00 18.05 ? 112 GLN B OE1 1 
ATOM   931  N NE2 . GLN A 1 106 ? -44.296 -13.164 -11.139 1.00 16.17 ? 112 GLN B NE2 1 
ATOM   932  N N   . ASP A 1 107 ? -38.986 -10.042 -9.215  1.00 14.43 ? 113 ASP B N   1 
ATOM   933  C CA  . ASP A 1 107 ? -38.186 -9.954  -7.986  1.00 19.26 ? 113 ASP B CA  1 
ATOM   934  C C   . ASP A 1 107 ? -37.362 -11.226 -7.736  1.00 20.52 ? 113 ASP B C   1 
ATOM   935  O O   . ASP A 1 107 ? -36.760 -11.325 -6.654  1.00 26.08 ? 113 ASP B O   1 
ATOM   936  C CB  . ASP A 1 107 ? -39.137 -9.683  -6.816  1.00 22.69 ? 113 ASP B CB  1 
ATOM   937  C CG  . ASP A 1 107 ? -38.455 -9.128  -5.607  1.00 31.74 ? 113 ASP B CG  1 
ATOM   938  O OD1 . ASP A 1 107 ? -37.527 -8.299  -5.778  1.00 35.95 ? 113 ASP B OD1 1 
ATOM   939  O OD2 . ASP A 1 107 ? -38.900 -9.501  -4.493  1.00 40.77 ? 113 ASP B OD2 1 
ATOM   940  N N   . SER A 1 108 ? -37.234 -12.117 -8.700  1.00 15.50 ? 114 SER B N   1 
ATOM   941  C CA  . SER A 1 108 ? -36.328 -13.298 -8.594  1.00 16.61 ? 114 SER B CA  1 
ATOM   942  C C   . SER A 1 108 ? -35.447 -13.386 -9.831  1.00 13.51 ? 114 SER B C   1 
ATOM   943  O O   . SER A 1 108 ? -35.840 -13.089 -10.995 1.00 13.89 ? 114 SER B O   1 
ATOM   944  C CB  . SER A 1 108 ? -37.129 -14.531 -8.295  1.00 21.96 ? 114 SER B CB  1 
ATOM   945  O OG  . SER A 1 108 ? -37.776 -15.016 -9.433  1.00 29.80 ? 114 SER B OG  1 
ATOM   946  N N   . TYR A 1 109 ? -34.253 -13.883 -9.592  1.00 11.61 ? 115 TYR B N   1 
ATOM   947  C CA  . TYR A 1 109 ? -33.235 -14.175 -10.648 1.00 10.92 ? 115 TYR B CA  1 
ATOM   948  C C   . TYR A 1 109 ? -33.201 -15.667 -10.911 1.00 10.66 ? 115 TYR B C   1 
ATOM   949  O O   . TYR A 1 109 ? -33.212 -16.476 -9.951  1.00 11.61 ? 115 TYR B O   1 
ATOM   950  C CB  . TYR A 1 109 ? -31.890 -13.660 -10.182 1.00 11.15 ? 115 TYR B CB  1 
ATOM   951  C CG  . TYR A 1 109 ? -31.831 -12.149 -9.966  1.00 11.68 ? 115 TYR B CG  1 
ATOM   952  C CD1 . TYR A 1 109 ? -32.092 -11.596 -8.710  1.00 12.60 ? 115 TYR B CD1 1 
ATOM   953  C CD2 . TYR A 1 109 ? -31.468 -11.286 -10.983 1.00 11.64 ? 115 TYR B CD2 1 
ATOM   954  C CE1 . TYR A 1 109 ? -32.018 -10.230 -8.492  1.00 13.76 ? 115 TYR B CE1 1 
ATOM   955  C CE2 . TYR A 1 109 ? -31.428 -9.912  -10.784 1.00 11.93 ? 115 TYR B CE2 1 
ATOM   956  C CZ  . TYR A 1 109 ? -31.663 -9.389  -9.522  1.00 12.43 ? 115 TYR B CZ  1 
ATOM   957  O OH  . TYR A 1 109 ? -31.667 -8.020  -9.278  1.00 14.24 ? 115 TYR B OH  1 
ATOM   958  N N   A GLU A 1 110 ? -33.220 -16.085 -12.186 0.25 11.00 ? 116 GLU B N   1 
ATOM   959  N N   B GLU A 1 110 ? -33.167 -16.040 -12.193 0.25 10.50 ? 116 GLU B N   1 
ATOM   960  C CA  A GLU A 1 110 ? -33.238 -17.521 -12.564 0.25 11.24 ? 116 GLU B CA  1 
ATOM   961  C CA  B GLU A 1 110 ? -33.191 -17.453 -12.624 0.25 10.36 ? 116 GLU B CA  1 
ATOM   962  C C   A GLU A 1 110 ? -32.306 -17.761 -13.755 0.25 9.64  ? 116 GLU B C   1 
ATOM   963  C C   B GLU A 1 110 ? -32.110 -17.655 -13.689 0.25 8.87  ? 116 GLU B C   1 
ATOM   964  O O   A GLU A 1 110 ? -32.246 -16.944 -14.653 0.25 9.06  ? 116 GLU B O   1 
ATOM   965  O O   B GLU A 1 110 ? -31.745 -16.685 -14.445 0.25 7.82  ? 116 GLU B O   1 
ATOM   966  C CB  A GLU A 1 110 ? -34.664 -17.979 -12.867 0.25 13.31 ? 116 GLU B CB  1 
ATOM   967  C CB  B GLU A 1 110 ? -34.570 -17.850 -13.159 0.25 11.70 ? 116 GLU B CB  1 
ATOM   968  C CG  A GLU A 1 110 ? -35.603 -17.916 -11.657 0.25 15.88 ? 116 GLU B CG  1 
ATOM   969  C CG  B GLU A 1 110 ? -35.707 -17.799 -12.130 0.25 14.33 ? 116 GLU B CG  1 
ATOM   970  C CD  A GLU A 1 110 ? -37.046 -18.233 -12.002 0.25 17.78 ? 116 GLU B CD  1 
ATOM   971  C CD  B GLU A 1 110 ? -35.819 -18.971 -11.151 0.25 14.57 ? 116 GLU B CD  1 
ATOM   972  O OE1 A GLU A 1 110 ? -37.457 -17.948 -13.140 0.25 21.17 ? 116 GLU B OE1 1 
ATOM   973  O OE1 B GLU A 1 110 ? -35.459 -20.122 -11.510 0.25 18.36 ? 116 GLU B OE1 1 
ATOM   974  O OE2 A GLU A 1 110 ? -37.754 -18.789 -11.137 0.25 19.93 ? 116 GLU B OE2 1 
ATOM   975  O OE2 B GLU A 1 110 ? -36.315 -18.754 -10.042 0.25 20.95 ? 116 GLU B OE2 1 
ATOM   976  N N   . ALA A 1 111 ? -31.629 -18.903 -13.765 1.00 9.22  ? 117 ALA B N   1 
ATOM   977  C CA  . ALA A 1 111 ? -30.879 -19.363 -14.945 1.00 9.47  ? 117 ALA B CA  1 
ATOM   978  C C   . ALA A 1 111 ? -31.818 -20.108 -15.871 1.00 9.20  ? 117 ALA B C   1 
ATOM   979  O O   . ALA A 1 111 ? -32.680 -20.908 -15.443 1.00 10.13 ? 117 ALA B O   1 
ATOM   980  C CB  . ALA A 1 111 ? -29.704 -20.258 -14.581 1.00 9.85  ? 117 ALA B CB  1 
ATOM   981  N N   . GLY A 1 112 ? -31.647 -19.877 -17.195 1.00 9.70  ? 118 GLY B N   1 
ATOM   982  C CA  . GLY A 1 112 ? -32.468 -20.471 -18.253 1.00 11.12 ? 118 GLY B CA  1 
ATOM   983  C C   . GLY A 1 112 ? -32.089 -21.887 -18.557 1.00 10.66 ? 118 GLY B C   1 
ATOM   984  O O   . GLY A 1 112 ? -31.830 -22.250 -19.689 1.00 12.59 ? 118 GLY B O   1 
ATOM   985  N N   . THR A 1 113 ? -32.039 -22.775 -17.585 1.00 12.78 ? 119 THR B N   1 
ATOM   986  C CA  . THR A 1 113 ? -32.002 -24.234 -17.765 1.00 13.75 ? 119 THR B CA  1 
ATOM   987  C C   . THR A 1 113 ? -33.418 -24.736 -18.008 1.00 14.53 ? 119 THR B C   1 
ATOM   988  O O   . THR A 1 113 ? -34.356 -23.953 -17.861 1.00 16.10 ? 119 THR B O   1 
ATOM   989  C CB  . THR A 1 113 ? -31.402 -24.823 -16.510 1.00 12.60 ? 119 THR B CB  1 
ATOM   990  O OG1 . THR A 1 113 ? -32.114 -24.378 -15.335 1.00 12.38 ? 119 THR B OG1 1 
ATOM   991  C CG2 . THR A 1 113 ? -29.976 -24.435 -16.291 1.00 14.34 ? 119 THR B CG2 1 
ATOM   992  N N   . SER A 1 114 ? -33.571 -26.025 -18.319 1.00 17.87 ? 120 SER B N   1 
ATOM   993  C CA  . SER A 1 114 ? -34.922 -26.606 -18.484 1.00 20.41 ? 120 SER B CA  1 
ATOM   994  C C   . SER A 1 114 ? -35.111 -27.785 -17.528 1.00 22.08 ? 120 SER B C   1 
ATOM   995  O O   . SER A 1 114 ? -34.469 -28.832 -17.662 1.00 24.28 ? 120 SER B O   1 
ATOM   996  C CB  . SER A 1 114 ? -35.210 -26.972 -19.934 1.00 27.42 ? 120 SER B CB  1 
ATOM   997  O OG  . SER A 1 114 ? -36.581 -27.361 -20.081 1.00 31.68 ? 120 SER B OG  1 
ATOM   998  N N   . PRO A 1 115 ? -35.899 -27.624 -16.449 1.00 20.23 ? 121 PRO B N   1 
ATOM   999  C CA  . PRO A 1 115 ? -36.564 -26.391 -16.081 1.00 19.90 ? 121 PRO B CA  1 
ATOM   1000 C C   . PRO A 1 115 ? -35.603 -25.365 -15.433 1.00 15.50 ? 121 PRO B C   1 
ATOM   1001 O O   . PRO A 1 115 ? -34.467 -25.659 -15.149 1.00 15.37 ? 121 PRO B O   1 
ATOM   1002 C CB  . PRO A 1 115 ? -37.624 -26.861 -15.082 1.00 23.10 ? 121 PRO B CB  1 
ATOM   1003 C CG  . PRO A 1 115 ? -36.913 -27.951 -14.342 1.00 22.45 ? 121 PRO B CG  1 
ATOM   1004 C CD  . PRO A 1 115 ? -36.105 -28.658 -15.415 1.00 22.07 ? 121 PRO B CD  1 
ATOM   1005 N N   . GLN A 1 116 ? -36.065 -24.137 -15.256 1.00 15.19 ? 122 GLN B N   1 
ATOM   1006 C CA  . GLN A 1 116 ? -35.218 -23.013 -14.791 1.00 14.31 ? 122 GLN B CA  1 
ATOM   1007 C C   . GLN A 1 116 ? -34.685 -23.264 -13.375 1.00 12.69 ? 122 GLN B C   1 
ATOM   1008 O O   . GLN A 1 116 ? -35.318 -24.006 -12.581 1.00 15.18 ? 122 GLN B O   1 
ATOM   1009 C CB  . GLN A 1 116 ? -35.925 -21.661 -14.883 1.00 18.76 ? 122 GLN B CB  1 
ATOM   1010 C CG  . GLN A 1 116 ? -37.098 -21.504 -13.956 1.00 25.17 ? 122 GLN B CG  1 
ATOM   1011 C CD  . GLN A 1 116 ? -38.357 -21.586 -14.780 1.00 35.67 ? 122 GLN B CD  1 
ATOM   1012 O OE1 . GLN A 1 116 ? -38.675 -22.627 -15.369 1.00 43.32 ? 122 GLN B OE1 1 
ATOM   1013 N NE2 . GLN A 1 116 ? -39.028 -20.456 -14.891 1.00 41.17 ? 122 GLN B NE2 1 
ATOM   1014 N N   . THR A 1 117 ? -33.567 -22.657 -13.072 1.00 11.27 ? 123 THR B N   1 
ATOM   1015 C CA  . THR A 1 117 ? -32.866 -22.803 -11.786 1.00 11.34 ? 123 THR B CA  1 
ATOM   1016 C C   . THR A 1 117 ? -32.882 -21.471 -11.045 1.00 11.21 ? 123 THR B C   1 
ATOM   1017 O O   . THR A 1 117 ? -32.395 -20.452 -11.540 1.00 12.44 ? 123 THR B O   1 
ATOM   1018 C CB  . THR A 1 117 ? -31.426 -23.253 -12.041 1.00 10.98 ? 123 THR B CB  1 
ATOM   1019 O OG1 . THR A 1 117 ? -31.443 -24.488 -12.740 1.00 12.89 ? 123 THR B OG1 1 
ATOM   1020 C CG2 . THR A 1 117 ? -30.648 -23.406 -10.755 1.00 12.09 ? 123 THR B CG2 1 
ATOM   1021 N N   . THR A 1 118 ? -33.271 -21.523 -9.777  1.00 12.52 ? 124 THR B N   1 
ATOM   1022 C CA  . THR A 1 118 ? -33.235 -20.374 -8.857  1.00 13.08 ? 124 THR B CA  1 
ATOM   1023 C C   . THR A 1 118 ? -31.823 -19.892 -8.595  1.00 11.96 ? 124 THR B C   1 
ATOM   1024 O O   . THR A 1 118 ? -30.933 -20.760 -8.310  1.00 14.98 ? 124 THR B O   1 
ATOM   1025 C CB  . THR A 1 118 ? -33.847 -20.811 -7.513  1.00 16.61 ? 124 THR B CB  1 
ATOM   1026 O OG1 . THR A 1 118 ? -35.219 -21.122 -7.761  1.00 20.37 ? 124 THR B OG1 1 
ATOM   1027 C CG2 . THR A 1 118 ? -33.604 -19.795 -6.418  1.00 18.73 ? 124 THR B CG2 1 
ATOM   1028 N N   . LEU A 1 119 ? -31.536 -18.608 -8.735  1.00 11.30 ? 125 LEU B N   1 
ATOM   1029 C CA  . LEU A 1 119 ? -30.250 -18.016 -8.409  1.00 10.82 ? 125 LEU B CA  1 
ATOM   1030 C C   . LEU A 1 119 ? -30.345 -17.419 -7.000  1.00 12.31 ? 125 LEU B C   1 
ATOM   1031 O O   . LEU A 1 119 ? -31.478 -17.136 -6.508  1.00 16.62 ? 125 LEU B O   1 
ATOM   1032 C CB  . LEU A 1 119 ? -29.807 -16.956 -9.433  1.00 10.33 ? 125 LEU B CB  1 
ATOM   1033 C CG  . LEU A 1 119 ? -29.744 -17.481 -10.881 1.00 9.46  ? 125 LEU B CG  1 
ATOM   1034 C CD1 . LEU A 1 119 ? -29.481 -16.389 -11.892 1.00 11.00 ? 125 LEU B CD1 1 
ATOM   1035 C CD2 . LEU A 1 119 ? -28.700 -18.597 -11.005 1.00 10.81 ? 125 LEU B CD2 1 
ATOM   1036 N N   . HIS A 1 120 ? -29.229 -17.295 -6.348  1.00 11.65 ? 126 HIS B N   1 
ATOM   1037 C CA  . HIS A 1 120 ? -29.102 -16.840 -4.936  1.00 12.45 ? 126 HIS B CA  1 
ATOM   1038 C C   . HIS A 1 120 ? -28.258 -15.583 -4.999  1.00 14.32 ? 126 HIS B C   1 
ATOM   1039 O O   . HIS A 1 120 ? -27.007 -15.641 -5.078  1.00 18.35 ? 126 HIS B O   1 
ATOM   1040 C CB  . HIS A 1 120 ? -28.467 -17.931 -4.031  1.00 13.83 ? 126 HIS B CB  1 
ATOM   1041 C CG  . HIS A 1 120 ? -29.211 -19.213 -4.009  1.00 13.62 ? 126 HIS B CG  1 
ATOM   1042 N ND1 . HIS A 1 120 ? -28.855 -20.302 -4.812  1.00 16.24 ? 126 HIS B ND1 1 
ATOM   1043 C CD2 . HIS A 1 120 ? -30.263 -19.621 -3.303  1.00 15.92 ? 126 HIS B CD2 1 
ATOM   1044 C CE1 . HIS A 1 120 ? -29.717 -21.270 -4.606  1.00 17.81 ? 126 HIS B CE1 1 
ATOM   1045 N NE2 . HIS A 1 120 ? -30.550 -20.924 -3.656  1.00 15.90 ? 126 HIS B NE2 1 
ATOM   1046 N N   . ILE A 1 121 ? -28.896 -14.435 -5.070  1.00 16.79 ? 127 ILE B N   1 
ATOM   1047 C CA  . ILE A 1 121 ? -28.190 -13.140 -5.227  1.00 17.51 ? 127 ILE B CA  1 
ATOM   1048 C C   . ILE A 1 121 ? -28.565 -12.295 -3.986  1.00 18.96 ? 127 ILE B C   1 
ATOM   1049 O O   . ILE A 1 121 ? -29.757 -12.068 -3.749  1.00 24.95 ? 127 ILE B O   1 
ATOM   1050 C CB  . ILE A 1 121 ? -28.588 -12.476 -6.570  1.00 18.49 ? 127 ILE B CB  1 
ATOM   1051 C CG1 . ILE A 1 121 ? -28.088 -13.307 -7.777  1.00 18.27 ? 127 ILE B CG1 1 
ATOM   1052 C CG2 . ILE A 1 121 ? -28.158 -11.008 -6.550  1.00 23.52 ? 127 ILE B CG2 1 
ATOM   1053 C CD1 . ILE A 1 121 ? -28.295 -12.707 -9.160  1.00 18.82 ? 127 ILE B CD1 1 
ATOM   1054 N N   . GLN A 1 122 ? -27.574 -11.916 -3.197  1.00 22.85 ? 128 GLN B N   1 
ATOM   1055 C CA  . GLN A 1 122 ? -27.805 -11.115 -1.955  1.00 25.06 ? 128 GLN B CA  1 
ATOM   1056 C C   . GLN A 1 122 ? -27.800 -9.624  -2.315  1.00 22.37 ? 128 GLN B C   1 
ATOM   1057 O O   . GLN A 1 122 ? -28.582 -8.848  -1.702  1.00 22.42 ? 128 GLN B O   1 
ATOM   1058 C CB  . GLN A 1 122 ? -26.746 -11.464 -0.903  1.00 29.69 ? 128 GLN B CB  1 
ATOM   1059 C CG  . GLN A 1 122 ? -26.862 -10.696 0.416   1.00 37.69 ? 128 GLN B CG  1 
ATOM   1060 C CD  . GLN A 1 122 ? -28.134 -10.969 1.192   1.00 43.67 ? 128 GLN B CD  1 
ATOM   1061 O OE1 . GLN A 1 122 ? -28.845 -11.945 0.952   1.00 51.27 ? 128 GLN B OE1 1 
ATOM   1062 N NE2 . GLN A 1 122 ? -28.448 -10.084 2.128   1.00 47.89 ? 128 GLN B NE2 1 
ATOM   1063 N N   . VAL A 1 123 ? -26.992 -9.242  -3.287  1.00 19.28 ? 129 VAL B N   1 
ATOM   1064 C CA  . VAL A 1 123 ? -26.827 -7.823  -3.704  1.00 17.51 ? 129 VAL B CA  1 
ATOM   1065 C C   . VAL A 1 123 ? -27.402 -7.655  -5.104  1.00 16.81 ? 129 VAL B C   1 
ATOM   1066 O O   . VAL A 1 123 ? -26.788 -8.130  -6.073  1.00 15.74 ? 129 VAL B O   1 
ATOM   1067 C CB  . VAL A 1 123 ? -25.357 -7.397  -3.660  1.00 18.34 ? 129 VAL B CB  1 
ATOM   1068 C CG1 . VAL A 1 123 ? -25.146 -5.966  -4.148  1.00 20.07 ? 129 VAL B CG1 1 
ATOM   1069 C CG2 . VAL A 1 123 ? -24.773 -7.542  -2.253  1.00 21.25 ? 129 VAL B CG2 1 
ATOM   1070 N N   . PRO A 1 124 ? -28.631 -7.129  -5.283  1.00 15.78 ? 130 PRO B N   1 
ATOM   1071 C CA  . PRO A 1 124 ? -29.175 -7.006  -6.639  1.00 16.40 ? 130 PRO B CA  1 
ATOM   1072 C C   . PRO A 1 124 ? -28.199 -6.320  -7.566  1.00 15.39 ? 130 PRO B C   1 
ATOM   1073 O O   . PRO A 1 124 ? -27.699 -5.242  -7.306  1.00 16.48 ? 130 PRO B O   1 
ATOM   1074 C CB  . PRO A 1 124 ? -30.411 -6.122  -6.422  1.00 18.07 ? 130 PRO B CB  1 
ATOM   1075 C CG  . PRO A 1 124 ? -30.862 -6.553  -5.004  1.00 19.38 ? 130 PRO B CG  1 
ATOM   1076 C CD  . PRO A 1 124 ? -29.575 -6.653  -4.245  1.00 18.83 ? 130 PRO B CD  1 
ATOM   1077 N N   . PRO A 1 125 ? -27.827 -6.941  -8.699  1.00 13.61 ? 131 PRO B N   1 
ATOM   1078 C CA  . PRO A 1 125 ? -26.823 -6.364  -9.559  1.00 13.01 ? 131 PRO B CA  1 
ATOM   1079 C C   . PRO A 1 125 ? -27.326 -5.137  -10.324 1.00 13.75 ? 131 PRO B C   1 
ATOM   1080 O O   . PRO A 1 125 ? -28.426 -5.190  -10.852 1.00 14.46 ? 131 PRO B O   1 
ATOM   1081 C CB  . PRO A 1 125 ? -26.425 -7.522  -10.505 1.00 14.27 ? 131 PRO B CB  1 
ATOM   1082 C CG  . PRO A 1 125 ? -27.554 -8.469  -10.423 1.00 16.08 ? 131 PRO B CG  1 
ATOM   1083 C CD  . PRO A 1 125 ? -28.167 -8.331  -9.058  1.00 14.39 ? 131 PRO B CD  1 
ATOM   1084 N N   . CYS A 1 126 ? -26.434 -4.178  -10.486 1.00 13.36 ? 132 CYS B N   1 
ATOM   1085 C CA  . CYS A 1 126 ? -26.649 -3.071  -11.446 1.00 13.83 ? 132 CYS B CA  1 
ATOM   1086 C C   . CYS A 1 126 ? -25.859 -3.297  -12.740 1.00 13.08 ? 132 CYS B C   1 
ATOM   1087 O O   . CYS A 1 126 ? -26.169 -2.717  -13.785 1.00 12.91 ? 132 CYS B O   1 
ATOM   1088 C CB  . CYS A 1 126 ? -26.249 -1.743  -10.839 1.00 17.03 ? 132 CYS B CB  1 
ATOM   1089 S SG  . CYS A 1 126 ? -27.245 -1.288  -9.396  1.00 23.60 ? 132 CYS B SG  1 
ATOM   1090 N N   A GLN A 1 127 ? -24.760 -4.069  -12.688 0.25 12.82 ? 133 GLN B N   1 
ATOM   1091 N N   B GLN A 1 127 ? -24.922 -4.236  -12.671 0.25 13.06 ? 133 GLN B N   1 
ATOM   1092 C CA  A GLN A 1 127 ? -24.017 -4.514  -13.902 0.25 13.12 ? 133 GLN B CA  1 
ATOM   1093 C CA  B GLN A 1 127 ? -24.005 -4.558  -13.782 0.25 13.95 ? 133 GLN B CA  1 
ATOM   1094 C C   A GLN A 1 127 ? -23.647 -5.999  -13.776 0.25 11.95 ? 133 GLN B C   1 
ATOM   1095 C C   B GLN A 1 127 ? -23.766 -6.067  -13.729 0.25 12.27 ? 133 GLN B C   1 
ATOM   1096 O O   A GLN A 1 127 ? -23.194 -6.446  -12.690 0.25 11.06 ? 133 GLN B O   1 
ATOM   1097 O O   B GLN A 1 127 ? -23.659 -6.626  -12.607 0.25 11.28 ? 133 GLN B O   1 
ATOM   1098 C CB  A GLN A 1 127 ? -22.736 -3.724  -14.199 0.25 14.60 ? 133 GLN B CB  1 
ATOM   1099 C CB  B GLN A 1 127 ? -22.736 -3.712  -13.673 0.25 16.50 ? 133 GLN B CB  1 
ATOM   1100 C CG  A GLN A 1 127 ? -22.923 -2.225  -14.409 0.25 15.98 ? 133 GLN B CG  1 
ATOM   1101 C CG  B GLN A 1 127 ? -22.969 -2.228  -13.922 0.25 18.77 ? 133 GLN B CG  1 
ATOM   1102 C CD  A GLN A 1 127 ? -22.845 -1.471  -13.102 0.25 17.75 ? 133 GLN B CD  1 
ATOM   1103 C CD  B GLN A 1 127 ? -21.740 -1.506  -14.414 0.25 20.76 ? 133 GLN B CD  1 
ATOM   1104 O OE1 A GLN A 1 127 ? -22.117 -1.853  -12.193 0.25 17.51 ? 133 GLN B OE1 1 
ATOM   1105 O OE1 B GLN A 1 127 ? -20.620 -1.998  -14.304 0.25 23.87 ? 133 GLN B OE1 1 
ATOM   1106 N NE2 A GLN A 1 127 ? -23.615 -0.397  -12.989 0.25 18.53 ? 133 GLN B NE2 1 
ATOM   1107 N NE2 B GLN A 1 127 ? -21.945 -0.329  -14.974 0.25 22.72 ? 133 GLN B NE2 1 
ATOM   1108 N N   . ILE A 1 128 ? -23.797 -6.695  -14.904 1.00 11.56 ? 134 ILE B N   1 
ATOM   1109 C CA  . ILE A 1 128 ? -23.598 -8.160  -15.055 1.00 11.67 ? 134 ILE B CA  1 
ATOM   1110 C C   . ILE A 1 128 ? -22.382 -8.331  -15.962 1.00 11.17 ? 134 ILE B C   1 
ATOM   1111 O O   . ILE A 1 128 ? -22.339 -7.751  -17.072 1.00 11.31 ? 134 ILE B O   1 
ATOM   1112 C CB  . ILE A 1 128 ? -24.845 -8.806  -15.685 1.00 12.37 ? 134 ILE B CB  1 
ATOM   1113 C CG1 . ILE A 1 128 ? -26.140 -8.624  -14.881 1.00 14.82 ? 134 ILE B CG1 1 
ATOM   1114 C CG2 . ILE A 1 128 ? -24.593 -10.301 -15.988 1.00 12.45 ? 134 ILE B CG2 1 
ATOM   1115 C CD1 . ILE A 1 128 ? -26.177 -9.370  -13.616 1.00 14.94 ? 134 ILE B CD1 1 
ATOM   1116 N N   . GLY A 1 129 ? -21.441 -9.224  -15.592 1.00 10.66 ? 135 GLY B N   1 
ATOM   1117 C CA  . GLY A 1 129 ? -20.351 -9.680  -16.461 1.00 10.80 ? 135 GLY B CA  1 
ATOM   1118 C C   . GLY A 1 129 ? -20.669 -11.053 -17.025 1.00 10.15 ? 135 GLY B C   1 
ATOM   1119 O O   . GLY A 1 129 ? -21.213 -11.906 -16.336 1.00 11.09 ? 135 GLY B O   1 
ATOM   1120 N N   . ILE A 1 130 ? -20.399 -11.201 -18.326 1.00 10.30 ? 136 ILE B N   1 
ATOM   1121 C CA  . ILE A 1 130 ? -20.667 -12.465 -19.072 1.00 10.42 ? 136 ILE B CA  1 
ATOM   1122 C C   . ILE A 1 130 ? -19.347 -12.942 -19.657 1.00 10.66 ? 136 ILE B C   1 
ATOM   1123 O O   . ILE A 1 130 ? -18.665 -12.189 -20.369 1.00 11.38 ? 136 ILE B O   1 
ATOM   1124 C CB  . ILE A 1 130 ? -21.715 -12.235 -20.179 1.00 11.21 ? 136 ILE B CB  1 
ATOM   1125 C CG1 . ILE A 1 130 ? -22.992 -11.674 -19.575 1.00 12.87 ? 136 ILE B CG1 1 
ATOM   1126 C CG2 . ILE A 1 130 ? -21.960 -13.531 -20.958 1.00 12.46 ? 136 ILE B CG2 1 
ATOM   1127 C CD1 . ILE A 1 130 ? -24.030 -11.299 -20.542 1.00 14.75 ? 136 ILE B CD1 1 
ATOM   1128 N N   . PHE A 1 131 ? -18.988 -14.158 -19.304 1.00 10.43 ? 137 PHE B N   1 
ATOM   1129 C CA  . PHE A 1 131 ? -17.753 -14.825 -19.770 1.00 10.12 ? 137 PHE B CA  1 
ATOM   1130 C C   . PHE A 1 131 ? -18.113 -16.068 -20.569 1.00 9.82  ? 137 PHE B C   1 
ATOM   1131 O O   . PHE A 1 131 ? -18.891 -16.898 -20.091 1.00 10.51 ? 137 PHE B O   1 
ATOM   1132 C CB  . PHE A 1 131 ? -16.889 -15.232 -18.583 1.00 11.58 ? 137 PHE B CB  1 
ATOM   1133 C CG  . PHE A 1 131 ? -15.639 -15.965 -18.962 1.00 12.40 ? 137 PHE B CG  1 
ATOM   1134 C CD1 . PHE A 1 131 ? -14.620 -15.339 -19.635 1.00 14.31 ? 137 PHE B CD1 1 
ATOM   1135 C CD2 . PHE A 1 131 ? -15.465 -17.297 -18.621 1.00 14.31 ? 137 PHE B CD2 1 
ATOM   1136 C CE1 . PHE A 1 131 ? -13.465 -16.038 -19.977 1.00 16.10 ? 137 PHE B CE1 1 
ATOM   1137 C CE2 . PHE A 1 131 ? -14.315 -18.000 -18.979 1.00 16.15 ? 137 PHE B CE2 1 
ATOM   1138 C CZ  . PHE A 1 131 ? -13.320 -17.353 -19.649 1.00 15.61 ? 137 PHE B CZ  1 
ATOM   1139 N N   . VAL A 1 132 ? -17.544 -16.198 -21.763 1.00 9.99  ? 138 VAL B N   1 
ATOM   1140 C CA  . VAL A 1 132 ? -17.687 -17.383 -22.626 1.00 10.65 ? 138 VAL B CA  1 
ATOM   1141 C C   . VAL A 1 132 ? -16.321 -17.970 -22.911 1.00 9.69  ? 138 VAL B C   1 
ATOM   1142 O O   . VAL A 1 132 ? -15.426 -17.275 -23.368 1.00 11.39 ? 138 VAL B O   1 
ATOM   1143 C CB  . VAL A 1 132 ? -18.422 -17.062 -23.931 1.00 11.13 ? 138 VAL B CB  1 
ATOM   1144 C CG1 . VAL A 1 132 ? -18.575 -18.308 -24.796 1.00 13.23 ? 138 VAL B CG1 1 
ATOM   1145 C CG2 . VAL A 1 132 ? -19.772 -16.405 -23.658 1.00 12.35 ? 138 VAL B CG2 1 
ATOM   1146 N N   . ASP A 1 133 ? -16.190 -19.246 -22.621 1.00 9.79  ? 139 ASP B N   1 
ATOM   1147 C CA  . ASP A 1 133 ? -15.007 -20.044 -23.066 1.00 11.15 ? 139 ASP B CA  1 
ATOM   1148 C C   . ASP A 1 133 ? -15.509 -21.062 -24.061 1.00 10.39 ? 139 ASP B C   1 
ATOM   1149 O O   . ASP A 1 133 ? -16.116 -22.062 -23.699 1.00 11.03 ? 139 ASP B O   1 
ATOM   1150 C CB  . ASP A 1 133 ? -14.260 -20.650 -21.903 1.00 12.51 ? 139 ASP B CB  1 
ATOM   1151 C CG  . ASP A 1 133 ? -13.005 -21.442 -22.276 1.00 14.53 ? 139 ASP B CG  1 
ATOM   1152 O OD1 . ASP A 1 133 ? -12.889 -21.867 -23.429 1.00 14.54 ? 139 ASP B OD1 1 
ATOM   1153 O OD2 . ASP A 1 133 ? -12.171 -21.575 -21.341 1.00 18.53 ? 139 ASP B OD2 1 
ATOM   1154 N N   . TYR A 1 134 ? -15.291 -20.784 -25.347 1.00 10.71 ? 140 TYR B N   1 
ATOM   1155 C CA  . TYR A 1 134 ? -15.909 -21.614 -26.402 1.00 11.17 ? 140 TYR B CA  1 
ATOM   1156 C C   . TYR A 1 134 ? -15.417 -23.065 -26.347 1.00 12.19 ? 140 TYR B C   1 
ATOM   1157 O O   . TYR A 1 134 ? -16.167 -24.006 -26.296 1.00 13.62 ? 140 TYR B O   1 
ATOM   1158 C CB  . TYR A 1 134 ? -15.683 -21.023 -27.792 1.00 11.88 ? 140 TYR B CB  1 
ATOM   1159 C CG  . TYR A 1 134 ? -16.612 -21.629 -28.823 1.00 12.13 ? 140 TYR B CG  1 
ATOM   1160 C CD1 . TYR A 1 134 ? -16.424 -22.914 -29.330 1.00 12.19 ? 140 TYR B CD1 1 
ATOM   1161 C CD2 . TYR A 1 134 ? -17.754 -20.948 -29.231 1.00 12.20 ? 140 TYR B CD2 1 
ATOM   1162 C CE1 . TYR A 1 134 ? -17.324 -23.502 -30.192 1.00 12.08 ? 140 TYR B CE1 1 
ATOM   1163 C CE2 . TYR A 1 134 ? -18.669 -21.521 -30.102 1.00 12.16 ? 140 TYR B CE2 1 
ATOM   1164 C CZ  . TYR A 1 134 ? -18.458 -22.803 -30.603 1.00 11.40 ? 140 TYR B CZ  1 
ATOM   1165 O OH  . TYR A 1 134 ? -19.363 -23.394 -31.433 1.00 12.27 ? 140 TYR B OH  1 
ATOM   1166 N N   . GLU A 1 135 ? -14.120 -23.204 -26.250 1.00 13.23 ? 141 GLU B N   1 
ATOM   1167 C CA  . GLU A 1 135 ? -13.489 -24.557 -26.270 1.00 14.16 ? 141 GLU B CA  1 
ATOM   1168 C C   . GLU A 1 135 ? -13.872 -25.346 -25.037 1.00 14.27 ? 141 GLU B C   1 
ATOM   1169 O O   . GLU A 1 135 ? -14.213 -26.536 -25.180 1.00 16.38 ? 141 GLU B O   1 
ATOM   1170 C CB  . GLU A 1 135 ? -11.975 -24.474 -26.448 1.00 16.08 ? 141 GLU B CB  1 
ATOM   1171 C CG  . GLU A 1 135 ? -11.609 -24.351 -27.944 1.00 19.85 ? 141 GLU B CG  1 
ATOM   1172 C CD  . GLU A 1 135 ? -11.858 -22.981 -28.506 1.00 21.52 ? 141 GLU B CD  1 
ATOM   1173 O OE1 . GLU A 1 135 ? -11.918 -22.836 -29.683 1.00 24.58 ? 141 GLU B OE1 1 
ATOM   1174 O OE2 . GLU A 1 135 ? -11.930 -22.027 -27.694 1.00 23.25 ? 141 GLU B OE2 1 
ATOM   1175 N N   . ALA A 1 136 ? -13.914 -24.732 -23.866 1.00 12.72 ? 142 ALA B N   1 
ATOM   1176 C CA  . ALA A 1 136 ? -14.252 -25.421 -22.625 1.00 13.86 ? 142 ALA B CA  1 
ATOM   1177 C C   . ALA A 1 136 ? -15.751 -25.717 -22.551 1.00 14.73 ? 142 ALA B C   1 
ATOM   1178 O O   . ALA A 1 136 ? -16.144 -26.535 -21.712 1.00 15.70 ? 142 ALA B O   1 
ATOM   1179 C CB  . ALA A 1 136 ? -13.828 -24.592 -21.450 1.00 14.84 ? 142 ALA B CB  1 
ATOM   1180 N N   . GLY A 1 137 ? -16.604 -25.063 -23.335 1.00 11.86 ? 143 GLY B N   1 
ATOM   1181 C CA  . GLY A 1 137 ? -18.058 -25.195 -23.226 1.00 11.40 ? 143 GLY B CA  1 
ATOM   1182 C C   . GLY A 1 137 ? -18.607 -24.578 -21.925 1.00 9.90  ? 143 GLY B C   1 
ATOM   1183 O O   . GLY A 1 137 ? -19.383 -25.259 -21.240 1.00 11.13 ? 143 GLY B O   1 
ATOM   1184 N N   . VAL A 1 138 ? -18.183 -23.357 -21.648 1.00 10.60 ? 144 VAL B N   1 
ATOM   1185 C CA  . VAL A 1 138 ? -18.591 -22.637 -20.408 1.00 10.94 ? 144 VAL B CA  1 
ATOM   1186 C C   . VAL A 1 138 ? -19.188 -21.286 -20.750 1.00 10.03 ? 144 VAL B C   1 
ATOM   1187 O O   . VAL A 1 138 ? -18.589 -20.502 -21.524 1.00 10.53 ? 144 VAL B O   1 
ATOM   1188 C CB  . VAL A 1 138 ? -17.353 -22.461 -19.511 1.00 11.54 ? 144 VAL B CB  1 
ATOM   1189 C CG1 . VAL A 1 138 ? -17.561 -21.481 -18.329 1.00 12.20 ? 144 VAL B CG1 1 
ATOM   1190 C CG2 . VAL A 1 138 ? -16.886 -23.820 -19.008 1.00 13.07 ? 144 VAL B CG2 1 
ATOM   1191 N N   . VAL A 1 139 ? -20.270 -20.977 -20.036 1.00 9.89  ? 145 VAL B N   1 
ATOM   1192 C CA  . VAL A 1 139 ? -20.825 -19.593 -19.978 1.00 9.54  ? 145 VAL B CA  1 
ATOM   1193 C C   . VAL A 1 139 ? -21.029 -19.224 -18.499 1.00 8.99  ? 145 VAL B C   1 
ATOM   1194 O O   . VAL A 1 139 ? -21.799 -19.936 -17.837 1.00 9.67  ? 145 VAL B O   1 
ATOM   1195 C CB  . VAL A 1 139 ? -22.147 -19.462 -20.763 1.00 9.20  ? 145 VAL B CB  1 
ATOM   1196 C CG1 . VAL A 1 139 ? -22.631 -18.022 -20.780 1.00 9.16  ? 145 VAL B CG1 1 
ATOM   1197 C CG2 . VAL A 1 139 ? -22.043 -19.994 -22.173 1.00 9.32  ? 145 VAL B CG2 1 
ATOM   1198 N N   . SER A 1 140 ? -20.373 -18.184 -18.045 1.00 8.69  ? 146 SER B N   1 
ATOM   1199 C CA  . SER A 1 140 ? -20.481 -17.767 -16.637 1.00 9.71  ? 146 SER B CA  1 
ATOM   1200 C C   . SER A 1 140 ? -20.953 -16.312 -16.551 1.00 9.28  ? 146 SER B C   1 
ATOM   1201 O O   . SER A 1 140 ? -20.649 -15.489 -17.413 1.00 9.96  ? 146 SER B O   1 
ATOM   1202 C CB  . SER A 1 140 ? -19.153 -17.939 -15.891 1.00 9.44  ? 146 SER B CB  1 
ATOM   1203 O OG  . SER A 1 140 ? -18.763 -19.310 -15.820 1.00 10.81 ? 146 SER B OG  1 
ATOM   1204 N N   . PHE A 1 141 ? -21.625 -16.039 -15.437 1.00 8.63  ? 147 PHE B N   1 
ATOM   1205 C CA  . PHE A 1 141 ? -22.231 -14.734 -15.130 1.00 9.31  ? 147 PHE B CA  1 
ATOM   1206 C C   . PHE A 1 141 ? -21.697 -14.268 -13.784 1.00 9.48  ? 147 PHE B C   1 
ATOM   1207 O O   . PHE A 1 141 ? -21.695 -15.050 -12.801 1.00 9.84  ? 147 PHE B O   1 
ATOM   1208 C CB  . PHE A 1 141 ? -23.771 -14.822 -15.119 1.00 8.89  ? 147 PHE B CB  1 
ATOM   1209 C CG  . PHE A 1 141 ? -24.347 -15.248 -16.444 1.00 8.73  ? 147 PHE B CG  1 
ATOM   1210 C CD1 . PHE A 1 141 ? -24.403 -16.582 -16.841 1.00 9.36  ? 147 PHE B CD1 1 
ATOM   1211 C CD2 . PHE A 1 141 ? -24.876 -14.277 -17.309 1.00 9.35  ? 147 PHE B CD2 1 
ATOM   1212 C CE1 . PHE A 1 141 ? -24.914 -16.942 -18.081 1.00 8.92  ? 147 PHE B CE1 1 
ATOM   1213 C CE2 . PHE A 1 141 ? -25.365 -14.654 -18.557 1.00 9.12  ? 147 PHE B CE2 1 
ATOM   1214 C CZ  . PHE A 1 141 ? -25.427 -15.986 -18.919 1.00 9.16  ? 147 PHE B CZ  1 
ATOM   1215 N N   . TYR A 1 142 ? -21.409 -12.985 -13.686 1.00 9.73  ? 148 TYR B N   1 
ATOM   1216 C CA  . TYR A 1 142 ? -20.737 -12.377 -12.510 1.00 10.87 ? 148 TYR B CA  1 
ATOM   1217 C C   . TYR A 1 142 ? -21.480 -11.105 -12.130 1.00 11.17 ? 148 TYR B C   1 
ATOM   1218 O O   . TYR A 1 142 ? -21.973 -10.296 -12.976 1.00 11.63 ? 148 TYR B O   1 
ATOM   1219 C CB  . TYR A 1 142 ? -19.282 -12.059 -12.794 1.00 10.95 ? 148 TYR B CB  1 
ATOM   1220 C CG  . TYR A 1 142 ? -18.440 -13.277 -13.069 1.00 11.55 ? 148 TYR B CG  1 
ATOM   1221 C CD1 . TYR A 1 142 ? -17.973 -14.074 -12.038 1.00 12.19 ? 148 TYR B CD1 1 
ATOM   1222 C CD2 . TYR A 1 142 ? -18.278 -13.744 -14.366 1.00 12.01 ? 148 TYR B CD2 1 
ATOM   1223 C CE1 . TYR A 1 142 ? -17.323 -15.278 -12.293 1.00 12.73 ? 148 TYR B CE1 1 
ATOM   1224 C CE2 . TYR A 1 142 ? -17.609 -14.921 -14.649 1.00 12.81 ? 148 TYR B CE2 1 
ATOM   1225 C CZ  . TYR A 1 142 ? -17.099 -15.667 -13.602 1.00 12.77 ? 148 TYR B CZ  1 
ATOM   1226 O OH  . TYR A 1 142 ? -16.450 -16.856 -13.875 1.00 15.32 ? 148 TYR B OH  1 
ATOM   1227 N N   . ASN A 1 143 ? -21.545 -10.861 -10.827 1.00 12.60 ? 149 ASN B N   1 
ATOM   1228 C CA  . ASN A 1 143 ? -22.248 -9.699  -10.211 1.00 12.62 ? 149 ASN B CA  1 
ATOM   1229 C C   . ASN A 1 143 ? -21.220 -8.595  -10.030 1.00 12.86 ? 149 ASN B C   1 
ATOM   1230 O O   . ASN A 1 143 ? -20.449 -8.595  -9.022  1.00 14.37 ? 149 ASN B O   1 
ATOM   1231 C CB  . ASN A 1 143 ? -22.884 -10.119 -8.903  1.00 12.70 ? 149 ASN B CB  1 
ATOM   1232 C CG  . ASN A 1 143 ? -23.691 -9.014  -8.235  1.00 12.77 ? 149 ASN B CG  1 
ATOM   1233 O OD1 . ASN A 1 143 ? -23.515 -7.859  -8.574  1.00 14.28 ? 149 ASN B OD1 1 
ATOM   1234 N ND2 . ASN A 1 143 ? -24.574 -9.425  -7.391  1.00 13.43 ? 149 ASN B ND2 1 
ATOM   1235 N N   . ILE A 1 144 ? -21.131 -7.628  -10.929 1.00 13.84 ? 150 ILE B N   1 
ATOM   1236 C CA  . ILE A 1 144 ? -20.064 -6.600  -10.865 1.00 14.78 ? 150 ILE B CA  1 
ATOM   1237 C C   . ILE A 1 144 ? -20.330 -5.674  -9.664  1.00 15.50 ? 150 ILE B C   1 
ATOM   1238 O O   . ILE A 1 144 ? -19.327 -5.209  -9.049  1.00 18.57 ? 150 ILE B O   1 
ATOM   1239 C CB  . ILE A 1 144 ? -20.023 -5.806  -12.185 1.00 15.84 ? 150 ILE B CB  1 
ATOM   1240 C CG1 . ILE A 1 144 ? -19.858 -6.722  -13.405 1.00 16.74 ? 150 ILE B CG1 1 
ATOM   1241 C CG2 . ILE A 1 144 ? -18.979 -4.688  -12.159 1.00 18.25 ? 150 ILE B CG2 1 
ATOM   1242 C CD1 . ILE A 1 144 ? -18.833 -7.805  -13.210 1.00 20.38 ? 150 ILE B CD1 1 
ATOM   1243 N N   . THR A 1 145 ? -21.569 -5.478  -9.281  1.00 14.99 ? 151 THR B N   1 
ATOM   1244 C CA  . THR A 1 145 ? -21.974 -4.625  -8.116  1.00 16.85 ? 151 THR B CA  1 
ATOM   1245 C C   . THR A 1 145 ? -21.393 -5.248  -6.848  1.00 18.40 ? 151 THR B C   1 
ATOM   1246 O O   . THR A 1 145 ? -20.965 -4.476  -5.926  1.00 22.80 ? 151 THR B O   1 
ATOM   1247 C CB  . THR A 1 145 ? -23.501 -4.484  -8.067  1.00 15.76 ? 151 THR B CB  1 
ATOM   1248 O OG1 . THR A 1 145 ? -23.915 -4.008  -9.349  1.00 16.47 ? 151 THR B OG1 1 
ATOM   1249 C CG2 . THR A 1 145 ? -23.914 -3.507  -6.981  1.00 16.71 ? 151 THR B CG2 1 
ATOM   1250 N N   . ASP A 1 146 ? -21.310 -6.569  -6.761  1.00 17.88 ? 152 ASP B N   1 
ATOM   1251 C CA  . ASP A 1 146 ? -20.796 -7.306  -5.574  1.00 19.17 ? 152 ASP B CA  1 
ATOM   1252 C C   . ASP A 1 146 ? -19.380 -7.844  -5.842  1.00 18.33 ? 152 ASP B C   1 
ATOM   1253 O O   . ASP A 1 146 ? -19.179 -9.055  -5.655  1.00 20.08 ? 152 ASP B O   1 
ATOM   1254 C CB  . ASP A 1 146 ? -21.831 -8.338  -5.190  1.00 18.64 ? 152 ASP B CB  1 
ATOM   1255 C CG  . ASP A 1 146 ? -21.473 -9.109  -3.946  1.00 21.88 ? 152 ASP B CG  1 
ATOM   1256 O OD1 . ASP A 1 146 ? -21.083 -8.449  -2.966  1.00 23.81 ? 152 ASP B OD1 1 
ATOM   1257 O OD2 . ASP A 1 146 ? -21.634 -10.336 -3.969  1.00 21.74 ? 152 ASP B OD2 1 
ATOM   1258 N N   . HIS A 1 147 ? -18.448 -7.011  -6.274  1.00 20.46 ? 153 HIS B N   1 
ATOM   1259 C CA  . HIS A 1 147 ? -17.012 -7.375  -6.325  1.00 24.12 ? 153 HIS B CA  1 
ATOM   1260 C C   . HIS A 1 147 ? -16.837 -8.591  -7.247  1.00 22.90 ? 153 HIS B C   1 
ATOM   1261 O O   . HIS A 1 147 ? -15.913 -9.390  -7.048  1.00 26.14 ? 153 HIS B O   1 
ATOM   1262 C CB  . HIS A 1 147 ? -16.438 -7.697  -4.934  1.00 29.81 ? 153 HIS B CB  1 
ATOM   1263 C CG  . HIS A 1 147 ? -16.662 -6.673  -3.867  1.00 38.16 ? 153 HIS B CG  1 
ATOM   1264 N ND1 . HIS A 1 147 ? -16.082 -5.416  -3.909  1.00 44.96 ? 153 HIS B ND1 1 
ATOM   1265 C CD2 . HIS A 1 147 ? -17.342 -6.744  -2.701  1.00 43.64 ? 153 HIS B CD2 1 
ATOM   1266 C CE1 . HIS A 1 147 ? -16.425 -4.739  -2.830  1.00 46.89 ? 153 HIS B CE1 1 
ATOM   1267 N NE2 . HIS A 1 147 ? -17.200 -5.535  -2.067  1.00 46.19 ? 153 HIS B NE2 1 
ATOM   1268 N N   . GLY A 1 148 ? -17.672 -8.725  -8.282  1.00 18.33 ? 154 GLY B N   1 
ATOM   1269 C CA  . GLY A 1 148 ? -17.478 -9.793  -9.277  1.00 16.88 ? 154 GLY B CA  1 
ATOM   1270 C C   . GLY A 1 148 ? -17.907 -11.154 -8.788  1.00 14.34 ? 154 GLY B C   1 
ATOM   1271 O O   . GLY A 1 148 ? -17.391 -12.102 -9.377  1.00 15.92 ? 154 GLY B O   1 
ATOM   1272 N N   . SER A 1 149 ? -18.736 -11.293 -7.788  1.00 13.52 ? 155 SER B N   1 
ATOM   1273 C CA  . SER A 1 149 ? -19.114 -12.618 -7.274  1.00 12.84 ? 155 SER B CA  1 
ATOM   1274 C C   . SER A 1 149 ? -19.779 -13.457 -8.373  1.00 12.84 ? 155 SER B C   1 
ATOM   1275 O O   . SER A 1 149 ? -20.577 -12.923 -9.209  1.00 13.35 ? 155 SER B O   1 
ATOM   1276 C CB  . SER A 1 149 ? -19.950 -12.513 -6.047  1.00 13.96 ? 155 SER B CB  1 
ATOM   1277 O OG  . SER A 1 149 ? -21.130 -11.742 -6.251  1.00 15.12 ? 155 SER B OG  1 
ATOM   1278 N N   . LEU A 1 150 ? -19.609 -14.750 -8.335  1.00 11.17 ? 156 LEU B N   1 
ATOM   1279 C CA  . LEU A 1 150 ? -20.238 -15.662 -9.323  1.00 10.42 ? 156 LEU B CA  1 
ATOM   1280 C C   . LEU A 1 150 ? -21.731 -15.714 -9.085  1.00 10.35 ? 156 LEU B C   1 
ATOM   1281 O O   . LEU A 1 150 ? -22.239 -15.938 -7.950  1.00 11.10 ? 156 LEU B O   1 
ATOM   1282 C CB  . LEU A 1 150 ? -19.635 -17.061 -9.147  1.00 10.90 ? 156 LEU B CB  1 
ATOM   1283 C CG  . LEU A 1 150 ? -20.189 -18.126 -10.112 1.00 10.94 ? 156 LEU B CG  1 
ATOM   1284 C CD1 . LEU A 1 150 ? -19.826 -17.868 -11.556 1.00 11.47 ? 156 LEU B CD1 1 
ATOM   1285 C CD2 . LEU A 1 150 ? -19.636 -19.520 -9.722  1.00 12.01 ? 156 LEU B CD2 1 
ATOM   1286 N N   . ILE A 1 151 ? -22.498 -15.577 -10.188 1.00 10.03 ? 157 ILE B N   1 
ATOM   1287 C CA  . ILE A 1 151 ? -23.945 -15.779 -10.215 1.00 10.20 ? 157 ILE B CA  1 
ATOM   1288 C C   . ILE A 1 151 ? -24.278 -17.203 -10.654 1.00 9.60  ? 157 ILE B C   1 
ATOM   1289 O O   . ILE A 1 151 ? -25.089 -17.901 -10.063 1.00 10.00 ? 157 ILE B O   1 
ATOM   1290 C CB  . ILE A 1 151 ? -24.638 -14.705 -11.098 1.00 10.54 ? 157 ILE B CB  1 
ATOM   1291 C CG1 . ILE A 1 151 ? -24.473 -13.311 -10.506 1.00 11.63 ? 157 ILE B CG1 1 
ATOM   1292 C CG2 . ILE A 1 151 ? -26.103 -15.060 -11.281 1.00 11.22 ? 157 ILE B CG2 1 
ATOM   1293 C CD1 . ILE A 1 151 ? -24.863 -12.205 -11.465 1.00 11.95 ? 157 ILE B CD1 1 
ATOM   1294 N N   . TYR A 1 152 ? -23.708 -17.631 -11.801 1.00 9.55  ? 158 TYR B N   1 
ATOM   1295 C CA  . TYR A 1 152 ? -24.101 -18.933 -12.403 1.00 9.60  ? 158 TYR B CA  1 
ATOM   1296 C C   . TYR A 1 152 ? -23.060 -19.329 -13.441 1.00 9.19  ? 158 TYR B C   1 
ATOM   1297 O O   . TYR A 1 152 ? -22.579 -18.468 -14.185 1.00 9.29  ? 158 TYR B O   1 
ATOM   1298 C CB  . TYR A 1 152 ? -25.497 -18.876 -13.103 1.00 9.12  ? 158 TYR B CB  1 
ATOM   1299 C CG  . TYR A 1 152 ? -26.018 -20.243 -13.440 1.00 9.03  ? 158 TYR B CG  1 
ATOM   1300 C CD1 . TYR A 1 152 ? -26.635 -21.039 -12.468 1.00 9.78  ? 158 TYR B CD1 1 
ATOM   1301 C CD2 . TYR A 1 152 ? -25.897 -20.775 -14.727 1.00 9.12  ? 158 TYR B CD2 1 
ATOM   1302 C CE1 . TYR A 1 152 ? -27.059 -22.316 -12.742 1.00 9.85  ? 158 TYR B CE1 1 
ATOM   1303 C CE2 . TYR A 1 152 ? -26.332 -22.049 -14.990 1.00 9.93  ? 158 TYR B CE2 1 
ATOM   1304 C CZ  . TYR A 1 152 ? -26.879 -22.828 -14.008 1.00 9.95  ? 158 TYR B CZ  1 
ATOM   1305 O OH  . TYR A 1 152 ? -27.277 -24.112 -14.288 1.00 12.14 ? 158 TYR B OH  1 
ATOM   1306 N N   . THR A 1 153 ? -22.771 -20.636 -13.510 1.00 8.82  ? 159 THR B N   1 
ATOM   1307 C CA  . THR A 1 153 ? -21.957 -21.244 -14.592 1.00 9.21  ? 159 THR B CA  1 
ATOM   1308 C C   . THR A 1 153 ? -22.743 -22.356 -15.258 1.00 9.09  ? 159 THR B C   1 
ATOM   1309 O O   . THR A 1 153 ? -23.121 -23.330 -14.639 1.00 10.37 ? 159 THR B O   1 
ATOM   1310 C CB  . THR A 1 153 ? -20.613 -21.785 -14.057 1.00 9.98  ? 159 THR B CB  1 
ATOM   1311 O OG1 . THR A 1 153 ? -19.858 -20.659 -13.634 1.00 10.58 ? 159 THR B OG1 1 
ATOM   1312 C CG2 . THR A 1 153 ? -19.883 -22.620 -15.094 1.00 11.37 ? 159 THR B CG2 1 
ATOM   1313 N N   . PHE A 1 154 ? -22.964 -22.200 -16.581 1.00 8.96  ? 160 PHE B N   1 
ATOM   1314 C CA  . PHE A 1 154 ? -23.337 -23.312 -17.489 1.00 9.33  ? 160 PHE B CA  1 
ATOM   1315 C C   . PHE A 1 154 ? -22.021 -23.990 -17.901 1.00 9.35  ? 160 PHE B C   1 
ATOM   1316 O O   . PHE A 1 154 ? -21.164 -23.362 -18.481 1.00 10.07 ? 160 PHE B O   1 
ATOM   1317 C CB  . PHE A 1 154 ? -23.998 -22.822 -18.780 1.00 9.37  ? 160 PHE B CB  1 
ATOM   1318 C CG  . PHE A 1 154 ? -25.374 -22.207 -18.613 1.00 7.99  ? 160 PHE B CG  1 
ATOM   1319 C CD1 . PHE A 1 154 ? -25.574 -20.859 -18.360 1.00 8.16  ? 160 PHE B CD1 1 
ATOM   1320 C CD2 . PHE A 1 154 ? -26.501 -22.964 -18.790 1.00 8.66  ? 160 PHE B CD2 1 
ATOM   1321 C CE1 . PHE A 1 154 ? -26.856 -20.322 -18.284 1.00 8.79  ? 160 PHE B CE1 1 
ATOM   1322 C CE2 . PHE A 1 154 ? -27.799 -22.438 -18.711 1.00 9.09  ? 160 PHE B CE2 1 
ATOM   1323 C CZ  . PHE A 1 154 ? -27.955 -21.094 -18.464 1.00 8.61  ? 160 PHE B CZ  1 
ATOM   1324 N N   . SER A 1 155 ? -21.908 -25.279 -17.610 1.00 10.72 ? 161 SER B N   1 
ATOM   1325 C CA  . SER A 1 155 ? -20.757 -26.076 -18.072 1.00 11.54 ? 161 SER B CA  1 
ATOM   1326 C C   . SER A 1 155 ? -21.302 -27.234 -18.884 1.00 10.67 ? 161 SER B C   1 
ATOM   1327 O O   . SER A 1 155 ? -22.459 -27.499 -18.942 1.00 12.76 ? 161 SER B O   1 
ATOM   1328 C CB  . SER A 1 155 ? -19.935 -26.488 -16.920 1.00 12.93 ? 161 SER B CB  1 
ATOM   1329 O OG  . SER A 1 155 ? -20.594 -27.415 -16.132 1.00 16.62 ? 161 SER B OG  1 
ATOM   1330 N N   . GLU A 1 156 ? -20.369 -27.898 -19.582 1.00 12.68 ? 162 GLU B N   1 
ATOM   1331 C CA  . GLU A 1 156 ? -20.718 -28.986 -20.540 1.00 14.02 ? 162 GLU B CA  1 
ATOM   1332 C C   . GLU A 1 156 ? -21.668 -28.455 -21.606 1.00 12.41 ? 162 GLU B C   1 
ATOM   1333 O O   . GLU A 1 156 ? -22.601 -29.153 -22.050 1.00 14.61 ? 162 GLU B O   1 
ATOM   1334 C CB  . GLU A 1 156 ? -21.326 -30.191 -19.819 1.00 17.39 ? 162 GLU B CB  1 
ATOM   1335 C CG  . GLU A 1 156 ? -20.548 -30.668 -18.614 1.00 21.60 ? 162 GLU B CG  1 
ATOM   1336 C CD  . GLU A 1 156 ? -21.073 -31.992 -18.109 1.00 30.34 ? 162 GLU B CD  1 
ATOM   1337 O OE1 . GLU A 1 156 ? -22.221 -32.027 -17.585 1.00 34.93 ? 162 GLU B OE1 1 
ATOM   1338 O OE2 . GLU A 1 156 ? -20.388 -33.007 -18.358 1.00 39.53 ? 162 GLU B OE2 1 
ATOM   1339 N N   . CYS A 1 157 ? -21.467 -27.198 -21.979 1.00 11.84 ? 163 CYS B N   1 
ATOM   1340 C CA  . CYS A 1 157 ? -22.334 -26.597 -23.033 1.00 11.82 ? 163 CYS B CA  1 
ATOM   1341 C C   . CYS A 1 157 ? -22.059 -27.274 -24.386 1.00 12.10 ? 163 CYS B C   1 
ATOM   1342 O O   . CYS A 1 157 ? -20.870 -27.491 -24.743 1.00 14.25 ? 163 CYS B O   1 
ATOM   1343 C CB  . CYS A 1 157 ? -22.154 -25.090 -23.184 1.00 10.61 ? 163 CYS B CB  1 
ATOM   1344 S SG  . CYS A 1 157 ? -22.572 -24.143 -21.706 1.00 11.17 ? 163 CYS B SG  1 
ATOM   1345 N N   . VAL A 1 158 ? -23.113 -27.461 -25.145 1.00 11.18 ? 164 VAL B N   1 
ATOM   1346 C CA  . VAL A 1 158 ? -23.003 -28.006 -26.532 1.00 11.88 ? 164 VAL B CA  1 
ATOM   1347 C C   . VAL A 1 158 ? -23.468 -26.875 -27.456 1.00 10.64 ? 164 VAL B C   1 
ATOM   1348 O O   . VAL A 1 158 ? -24.648 -26.800 -27.797 1.00 12.20 ? 164 VAL B O   1 
ATOM   1349 C CB  . VAL A 1 158 ? -23.745 -29.354 -26.655 1.00 13.22 ? 164 VAL B CB  1 
ATOM   1350 C CG1 . VAL A 1 158 ? -23.635 -29.843 -28.104 1.00 13.99 ? 164 VAL B CG1 1 
ATOM   1351 C CG2 . VAL A 1 158 ? -23.185 -30.387 -25.669 1.00 14.89 ? 164 VAL B CG2 1 
ATOM   1352 N N   . PHE A 1 159 ? -22.592 -25.945 -27.774 1.00 10.40 ? 165 PHE B N   1 
ATOM   1353 C CA  . PHE A 1 159 ? -22.961 -24.712 -28.502 1.00 11.04 ? 165 PHE B CA  1 
ATOM   1354 C C   . PHE A 1 159 ? -23.536 -25.081 -29.868 1.00 10.49 ? 165 PHE B C   1 
ATOM   1355 O O   . PHE A 1 159 ? -24.551 -24.494 -30.310 1.00 12.10 ? 165 PHE B O   1 
ATOM   1356 C CB  . PHE A 1 159 ? -21.805 -23.743 -28.554 1.00 10.54 ? 165 PHE B CB  1 
ATOM   1357 C CG  . PHE A 1 159 ? -21.349 -23.243 -27.201 1.00 10.31 ? 165 PHE B CG  1 
ATOM   1358 C CD1 . PHE A 1 159 ? -22.283 -22.730 -26.280 1.00 9.80  ? 165 PHE B CD1 1 
ATOM   1359 C CD2 . PHE A 1 159 ? -20.013 -23.234 -26.846 1.00 11.60 ? 165 PHE B CD2 1 
ATOM   1360 C CE1 . PHE A 1 159 ? -21.873 -22.256 -25.029 1.00 9.95  ? 165 PHE B CE1 1 
ATOM   1361 C CE2 . PHE A 1 159 ? -19.599 -22.755 -25.612 1.00 11.56 ? 165 PHE B CE2 1 
ATOM   1362 C CZ  . PHE A 1 159 ? -20.531 -22.247 -24.718 1.00 11.19 ? 165 PHE B CZ  1 
ATOM   1363 N N   . ALA A 1 160 ? -22.845 -25.974 -30.616 1.00 11.04 ? 166 ALA B N   1 
ATOM   1364 C CA  . ALA A 1 160 ? -23.316 -26.536 -31.903 1.00 11.62 ? 166 ALA B CA  1 
ATOM   1365 C C   . ALA A 1 160 ? -23.488 -25.451 -32.966 1.00 10.96 ? 166 ALA B C   1 
ATOM   1366 O O   . ALA A 1 160 ? -24.285 -25.665 -33.924 1.00 12.26 ? 166 ALA B O   1 
ATOM   1367 C CB  . ALA A 1 160 ? -24.533 -27.344 -31.711 1.00 12.56 ? 166 ALA B CB  1 
ATOM   1368 N N   . GLY A 1 161 ? -22.739 -24.399 -32.895 1.00 11.37 ? 167 GLY B N   1 
ATOM   1369 C CA  . GLY A 1 161 ? -22.788 -23.309 -33.882 1.00 11.90 ? 167 GLY B CA  1 
ATOM   1370 C C   . GLY A 1 161 ? -22.005 -22.110 -33.407 1.00 11.40 ? 167 GLY B C   1 
ATOM   1371 O O   . GLY A 1 161 ? -21.593 -22.078 -32.214 1.00 11.60 ? 167 GLY B O   1 
ATOM   1372 N N   . PRO A 1 162 ? -21.874 -21.076 -34.234 1.00 10.89 ? 168 PRO B N   1 
ATOM   1373 C CA  . PRO A 1 162 ? -21.391 -19.786 -33.776 1.00 11.11 ? 168 PRO B CA  1 
ATOM   1374 C C   . PRO A 1 162 ? -22.336 -19.219 -32.703 1.00 10.22 ? 168 PRO B C   1 
ATOM   1375 O O   . PRO A 1 162 ? -23.540 -19.405 -32.807 1.00 11.04 ? 168 PRO B O   1 
ATOM   1376 C CB  . PRO A 1 162 ? -21.373 -18.880 -35.026 1.00 11.85 ? 168 PRO B CB  1 
ATOM   1377 C CG  . PRO A 1 162 ? -21.512 -19.892 -36.178 1.00 11.82 ? 168 PRO B CG  1 
ATOM   1378 C CD  . PRO A 1 162 ? -22.323 -21.010 -35.648 1.00 10.73 ? 168 PRO B CD  1 
ATOM   1379 N N   . LEU A 1 163 ? -21.754 -18.479 -31.785 1.00 10.42 ? 169 LEU B N   1 
ATOM   1380 C CA  . LEU A 1 163 ? -22.518 -17.779 -30.709 1.00 9.45  ? 169 LEU B CA  1 
ATOM   1381 C C   . LEU A 1 163 ? -22.625 -16.295 -30.984 1.00 10.53 ? 169 LEU B C   1 
ATOM   1382 O O   . LEU A 1 163 ? -21.680 -15.664 -31.448 1.00 11.59 ? 169 LEU B O   1 
ATOM   1383 C CB  . LEU A 1 163 ? -21.824 -18.008 -29.371 1.00 10.45 ? 169 LEU B CB  1 
ATOM   1384 C CG  . LEU A 1 163 ? -21.867 -19.423 -28.794 1.00 11.27 ? 169 LEU B CG  1 
ATOM   1385 C CD1 . LEU A 1 163 ? -21.017 -19.469 -27.537 1.00 11.53 ? 169 LEU B CD1 1 
ATOM   1386 C CD2 . LEU A 1 163 ? -23.271 -19.906 -28.537 1.00 11.55 ? 169 LEU B CD2 1 
ATOM   1387 N N   . ARG A 1 164 ? -23.749 -15.718 -30.588 1.00 9.32  ? 170 ARG B N   1 
ATOM   1388 C CA  . ARG A 1 164 ? -23.967 -14.269 -30.581 1.00 9.65  ? 170 ARG B CA  1 
ATOM   1389 C C   . ARG A 1 164 ? -24.381 -13.786 -29.188 1.00 8.62  ? 170 ARG B C   1 
ATOM   1390 O O   . ARG A 1 164 ? -25.133 -14.465 -28.505 1.00 9.25  ? 170 ARG B O   1 
ATOM   1391 C CB  . ARG A 1 164 ? -25.033 -13.876 -31.603 1.00 10.13 ? 170 ARG B CB  1 
ATOM   1392 C CG  . ARG A 1 164 ? -24.591 -14.241 -33.032 1.00 12.32 ? 170 ARG B CG  1 
ATOM   1393 C CD  . ARG A 1 164 ? -25.568 -13.849 -34.123 1.00 13.17 ? 170 ARG B CD  1 
ATOM   1394 N NE  . ARG A 1 164 ? -25.619 -12.414 -34.248 1.00 13.52 ? 170 ARG B NE  1 
ATOM   1395 C CZ  . ARG A 1 164 ? -26.310 -11.798 -35.201 1.00 13.50 ? 170 ARG B CZ  1 
ATOM   1396 N NH1 . ARG A 1 164 ? -26.923 -12.484 -36.141 1.00 14.81 ? 170 ARG B NH1 1 
ATOM   1397 N NH2 . ARG A 1 164 ? -26.355 -10.498 -35.209 1.00 13.38 ? 170 ARG B NH2 1 
ATOM   1398 N N   . PRO A 1 165 ? -23.929 -12.590 -28.783 1.00 8.33  ? 171 PRO B N   1 
ATOM   1399 C CA  . PRO A 1 165 ? -24.480 -11.997 -27.559 1.00 8.99  ? 171 PRO B CA  1 
ATOM   1400 C C   . PRO A 1 165 ? -26.004 -11.826 -27.709 1.00 8.44  ? 171 PRO B C   1 
ATOM   1401 O O   . PRO A 1 165 ? -26.506 -11.474 -28.777 1.00 9.28  ? 171 PRO B O   1 
ATOM   1402 C CB  . PRO A 1 165 ? -23.782 -10.629 -27.477 1.00 8.99  ? 171 PRO B CB  1 
ATOM   1403 C CG  . PRO A 1 165 ? -22.491 -10.800 -28.313 1.00 10.49 ? 171 PRO B CG  1 
ATOM   1404 C CD  . PRO A 1 165 ? -22.926 -11.733 -29.419 1.00 10.51 ? 171 PRO B CD  1 
ATOM   1405 N N   . PHE A 1 166 ? -26.713 -12.086 -26.606 1.00 8.02  ? 172 PHE B N   1 
ATOM   1406 C CA  . PHE A 1 166 ? -28.177 -12.113 -26.591 1.00 8.48  ? 172 PHE B CA  1 
ATOM   1407 C C   . PHE A 1 166 ? -28.691 -11.151 -25.509 1.00 7.96  ? 172 PHE B C   1 
ATOM   1408 O O   . PHE A 1 166 ? -28.193 -11.148 -24.377 1.00 8.25  ? 172 PHE B O   1 
ATOM   1409 C CB  . PHE A 1 166 ? -28.676 -13.527 -26.287 1.00 8.86  ? 172 PHE B CB  1 
ATOM   1410 C CG  . PHE A 1 166 ? -30.168 -13.626 -26.101 1.00 8.69  ? 172 PHE B CG  1 
ATOM   1411 C CD1 . PHE A 1 166 ? -31.014 -13.654 -27.195 1.00 9.79  ? 172 PHE B CD1 1 
ATOM   1412 C CD2 . PHE A 1 166 ? -30.731 -13.645 -24.848 1.00 9.85  ? 172 PHE B CD2 1 
ATOM   1413 C CE1 . PHE A 1 166 ? -32.387 -13.688 -27.041 1.00 9.80  ? 172 PHE B CE1 1 
ATOM   1414 C CE2 . PHE A 1 166 ? -32.118 -13.664 -24.711 1.00 10.07 ? 172 PHE B CE2 1 
ATOM   1415 C CZ  . PHE A 1 166 ? -32.926 -13.709 -25.809 1.00 10.21 ? 172 PHE B CZ  1 
ATOM   1416 N N   . PHE A 1 167 ? -29.772 -10.410 -25.820 1.00 8.05  ? 173 PHE B N   1 
ATOM   1417 C CA  . PHE A 1 167 ? -30.372 -9.393  -24.938 1.00 8.35  ? 173 PHE B CA  1 
ATOM   1418 C C   . PHE A 1 167 ? -31.895 -9.447  -25.049 1.00 8.71  ? 173 PHE B C   1 
ATOM   1419 O O   . PHE A 1 167 ? -32.423 -9.527  -26.175 1.00 9.19  ? 173 PHE B O   1 
ATOM   1420 C CB  . PHE A 1 167 ? -29.893 -7.984  -25.342 1.00 9.49  ? 173 PHE B CB  1 
ATOM   1421 C CG  . PHE A 1 167 ? -28.395 -7.849  -25.457 1.00 8.87  ? 173 PHE B CG  1 
ATOM   1422 C CD1 . PHE A 1 167 ? -27.760 -8.140  -26.646 1.00 9.03  ? 173 PHE B CD1 1 
ATOM   1423 C CD2 . PHE A 1 167 ? -27.635 -7.362  -24.409 1.00 10.03 ? 173 PHE B CD2 1 
ATOM   1424 C CE1 . PHE A 1 167 ? -26.375 -8.074  -26.752 1.00 9.51  ? 173 PHE B CE1 1 
ATOM   1425 C CE2 . PHE A 1 167 ? -26.264 -7.249  -24.526 1.00 10.88 ? 173 PHE B CE2 1 
ATOM   1426 C CZ  . PHE A 1 167 ? -25.637 -7.574  -25.706 1.00 10.07 ? 173 PHE B CZ  1 
ATOM   1427 N N   . ASN A 1 168 ? -32.549 -9.250  -23.917 1.00 8.83  ? 174 ASN B N   1 
ATOM   1428 C CA  . ASN A 1 168 ? -34.006 -9.002  -23.871 1.00 9.00  ? 174 ASN B CA  1 
ATOM   1429 C C   . ASN A 1 168 ? -34.202 -7.868  -22.896 1.00 8.66  ? 174 ASN B C   1 
ATOM   1430 O O   . ASN A 1 168 ? -33.860 -8.001  -21.702 1.00 9.43  ? 174 ASN B O   1 
ATOM   1431 C CB  . ASN A 1 168 ? -34.783 -10.249 -23.448 1.00 9.37  ? 174 ASN B CB  1 
ATOM   1432 C CG  . ASN A 1 168 ? -36.277 -10.072 -23.538 1.00 10.83 ? 174 ASN B CG  1 
ATOM   1433 O OD1 . ASN A 1 168 ? -36.807 -9.000  -23.836 1.00 11.71 ? 174 ASN B OD1 1 
ATOM   1434 N ND2 . ASN A 1 168 ? -37.012 -11.127 -23.255 1.00 12.68 ? 174 ASN B ND2 1 
ATOM   1435 N N   . VAL A 1 169 ? -34.744 -6.727  -23.371 1.00 8.86  ? 175 VAL B N   1 
ATOM   1436 C CA  . VAL A 1 169 ? -35.004 -5.575  -22.469 1.00 9.80  ? 175 VAL B CA  1 
ATOM   1437 C C   . VAL A 1 169 ? -36.231 -5.824  -21.602 1.00 10.14 ? 175 VAL B C   1 
ATOM   1438 O O   . VAL A 1 169 ? -36.454 -5.006  -20.679 1.00 12.18 ? 175 VAL B O   1 
ATOM   1439 C CB  . VAL A 1 169 ? -35.123 -4.226  -23.228 1.00 9.73  ? 175 VAL B CB  1 
ATOM   1440 C CG1 . VAL A 1 169 ? -33.854 -3.886  -23.989 1.00 10.66 ? 175 VAL B CG1 1 
ATOM   1441 C CG2 . VAL A 1 169 ? -36.322 -4.225  -24.169 1.00 9.98  ? 175 VAL B CG2 1 
ATOM   1442 N N   . GLY A 1 170 ? -37.042 -6.832  -21.924 1.00 11.24 ? 176 GLY B N   1 
ATOM   1443 C CA  . GLY A 1 170 ? -38.371 -7.051  -21.279 1.00 13.07 ? 176 GLY B CA  1 
ATOM   1444 C C   . GLY A 1 170 ? -39.486 -6.122  -21.711 1.00 13.12 ? 176 GLY B C   1 
ATOM   1445 O O   . GLY A 1 170 ? -39.280 -5.118  -22.286 1.00 12.97 ? 176 GLY B O   1 
ATOM   1446 N N   . PHE A 1 171 ? -40.629 -6.800  -21.568 0.32 14.13 ? 177 PHE B N   1 
ATOM   1447 C CA  . PHE A 1 171 ? -41.967 -6.360  -21.131 0.32 12.66 ? 177 PHE B CA  1 
ATOM   1448 C C   . PHE A 1 171 ? -41.861 -5.154  -20.189 0.32 11.73 ? 177 PHE B C   1 
ATOM   1449 O O   . PHE A 1 171 ? -41.036 -5.101  -19.226 0.32 10.65 ? 177 PHE B O   1 
ATOM   1450 C CB  . PHE A 1 171 ? -42.743 -7.515  -20.475 0.32 12.18 ? 177 PHE B CB  1 
ATOM   1451 C CG  . PHE A 1 171 ? -42.822 -8.823  -21.240 0.32 11.67 ? 177 PHE B CG  1 
ATOM   1452 C CD1 . PHE A 1 171 ? -42.773 -8.850  -22.626 0.32 11.53 ? 177 PHE B CD1 1 
ATOM   1453 C CD2 . PHE A 1 171 ? -42.999 -10.035 -20.577 0.32 11.98 ? 177 PHE B CD2 1 
ATOM   1454 C CE1 . PHE A 1 171 ? -42.855 -10.051 -23.317 0.32 10.83 ? 177 PHE B CE1 1 
ATOM   1455 C CE2 . PHE A 1 171 ? -43.107 -11.231 -21.277 0.32 11.21 ? 177 PHE B CE2 1 
ATOM   1456 C CZ  . PHE A 1 171 ? -43.043 -11.235 -22.648 0.32 11.26 ? 177 PHE B CZ  1 
ATOM   1457 N N   . ASN A 1 172 ? -42.740 -4.198  -20.475 0.32 11.24 ? 178 ASN B N   1 
ATOM   1458 C CA  . ASN A 1 172 ? -42.889 -2.925  -19.726 0.32 11.35 ? 178 ASN B CA  1 
ATOM   1459 C C   . ASN A 1 172 ? -44.374 -2.552  -19.566 0.32 11.96 ? 178 ASN B C   1 
ATOM   1460 O O   . ASN A 1 172 ? -44.731 -1.395  -19.604 0.32 12.00 ? 178 ASN B O   1 
ATOM   1461 C CB  . ASN A 1 172 ? -42.118 -1.798  -20.397 0.32 11.22 ? 178 ASN B CB  1 
ATOM   1462 C CG  . ASN A 1 172 ? -42.136 -0.568  -19.526 0.32 10.83 ? 178 ASN B CG  1 
ATOM   1463 O OD1 . ASN A 1 172 ? -42.102 -0.691  -18.306 0.32 10.76 ? 178 ASN B OD1 1 
ATOM   1464 N ND2 . ASN A 1 172 ? -42.229 0.603   -20.133 0.32 11.02 ? 178 ASN B ND2 1 
ATOM   1465 N N   . TYR A 1 173 ? -45.180 -3.552  -19.294 1.00 12.89 ? 179 TYR B N   1 
ATOM   1466 C CA  . TYR A 1 173 ? -46.632 -3.470  -18.931 1.00 12.27 ? 179 TYR B CA  1 
ATOM   1467 C C   . TYR A 1 173 ? -46.807 -2.623  -17.666 1.00 12.87 ? 179 TYR B C   1 
ATOM   1468 O O   . TYR A 1 173 ? -47.845 -1.911  -17.513 1.00 13.16 ? 179 TYR B O   1 
ATOM   1469 C CB  . TYR A 1 173 ? -47.212 -4.871  -18.716 1.00 12.81 ? 179 TYR B CB  1 
ATOM   1470 C CG  . TYR A 1 173 ? -47.270 -5.753  -19.943 1.00 14.04 ? 179 TYR B CG  1 
ATOM   1471 C CD1 . TYR A 1 173 ? -48.171 -5.524  -20.974 1.00 16.49 ? 179 TYR B CD1 1 
ATOM   1472 C CD2 . TYR A 1 173 ? -46.449 -6.866  -20.039 1.00 15.19 ? 179 TYR B CD2 1 
ATOM   1473 C CE1 . TYR A 1 173 ? -48.153 -6.313  -22.130 1.00 16.05 ? 179 TYR B CE1 1 
ATOM   1474 C CE2 . TYR A 1 173 ? -46.430 -7.651  -21.190 1.00 16.01 ? 179 TYR B CE2 1 
ATOM   1475 C CZ  . TYR A 1 173 ? -47.309 -7.388  -22.203 1.00 16.22 ? 179 TYR B CZ  1 
ATOM   1476 O OH  . TYR A 1 173 ? -47.356 -8.187  -23.333 1.00 20.44 ? 179 TYR B OH  1 
ATOM   1477 N N   . SER A 1 174 ? -45.856 -2.632  -16.742 1.00 11.65 ? 180 SER B N   1 
ATOM   1478 C CA  . SER A 1 174 ? -45.964 -1.998  -15.414 1.00 12.46 ? 180 SER B CA  1 
ATOM   1479 C C   . SER A 1 174 ? -45.669 -0.497  -15.457 1.00 11.55 ? 180 SER B C   1 
ATOM   1480 O O   . SER A 1 174 ? -45.961 0.215   -14.500 1.00 13.26 ? 180 SER B O   1 
ATOM   1481 C CB  . SER A 1 174 ? -45.024 -2.625  -14.442 1.00 12.12 ? 180 SER B CB  1 
ATOM   1482 O OG  . SER A 1 174 ? -43.678 -2.353  -14.872 1.00 12.92 ? 180 SER B OG  1 
ATOM   1483 N N   . GLY A 1 175 ? -44.994 -0.037  -16.510 1.00 12.00 ? 181 GLY B N   1 
ATOM   1484 C CA  . GLY A 1 175 ? -44.435 1.331   -16.517 1.00 12.88 ? 181 GLY B CA  1 
ATOM   1485 C C   . GLY A 1 175 ? -43.202 1.470   -15.657 1.00 13.28 ? 181 GLY B C   1 
ATOM   1486 O O   . GLY A 1 175 ? -42.672 2.604   -15.534 1.00 15.70 ? 181 GLY B O   1 
ATOM   1487 N N   . GLY A 1 176 ? -42.693 0.403   -15.075 1.00 11.86 ? 182 GLY B N   1 
ATOM   1488 C CA  . GLY A 1 176 ? -41.495 0.460   -14.231 1.00 11.93 ? 182 GLY B CA  1 
ATOM   1489 C C   . GLY A 1 176 ? -40.277 -0.177  -14.912 1.00 11.26 ? 182 GLY B C   1 
ATOM   1490 O O   . GLY A 1 176 ? -39.221 -0.219  -14.256 1.00 13.18 ? 182 GLY B O   1 
ATOM   1491 N N   . ASN A 1 177 ? -40.362 -0.565  -16.157 1.00 9.73  ? 183 ASN B N   1 
ATOM   1492 C CA  . ASN A 1 177 ? -39.269 -1.292  -16.836 1.00 9.90  ? 183 ASN B CA  1 
ATOM   1493 C C   . ASN A 1 177 ? -38.835 -0.588  -18.117 1.00 10.22 ? 183 ASN B C   1 
ATOM   1494 O O   . ASN A 1 177 ? -38.238 -1.253  -18.984 1.00 11.55 ? 183 ASN B O   1 
ATOM   1495 C CB  . ASN A 1 177 ? -39.636 -2.743  -17.154 1.00 10.34 ? 183 ASN B CB  1 
ATOM   1496 C CG  . ASN A 1 177 ? -38.401 -3.600  -17.419 1.00 10.38 ? 183 ASN B CG  1 
ATOM   1497 O OD1 . ASN A 1 177 ? -37.375 -3.388  -16.812 1.00 11.90 ? 183 ASN B OD1 1 
ATOM   1498 N ND2 . ASN A 1 177 ? -38.578 -4.527  -18.365 1.00 10.70 ? 183 ASN B ND2 1 
ATOM   1499 N N   . ALA A 1 178 ? -38.903 0.734   -18.195 1.00 11.07 ? 184 ALA B N   1 
ATOM   1500 C CA  . ALA A 1 178 ? -38.515 1.458   -19.426 1.00 11.53 ? 184 ALA B CA  1 
ATOM   1501 C C   . ALA A 1 178 ? -37.003 1.600   -19.542 1.00 11.97 ? 184 ALA B C   1 
ATOM   1502 O O   . ALA A 1 178 ? -36.554 1.876   -20.662 1.00 13.17 ? 184 ALA B O   1 
ATOM   1503 C CB  . ALA A 1 178 ? -39.163 2.868   -19.426 1.00 11.82 ? 184 ALA B CB  1 
ATOM   1504 N N   . ALA A 1 179 ? -36.245 1.459   -18.479 1.00 10.91 ? 185 ALA B N   1 
ATOM   1505 C CA  . ALA A 1 179 ? -34.796 1.755   -18.544 1.00 11.34 ? 185 ALA B CA  1 
ATOM   1506 C C   . ALA A 1 179 ? -34.094 0.875   -19.575 1.00 10.88 ? 185 ALA B C   1 
ATOM   1507 O O   . ALA A 1 179 ? -34.461 -0.279  -19.845 1.00 10.87 ? 185 ALA B O   1 
ATOM   1508 C CB  . ALA A 1 179 ? -34.165 1.620   -17.195 1.00 11.52 ? 185 ALA B CB  1 
ATOM   1509 N N   . PRO A 1 180 ? -32.999 1.398   -20.157 1.00 11.48 ? 186 PRO B N   1 
ATOM   1510 C CA  . PRO A 1 180 ? -32.254 0.641   -21.166 1.00 11.82 ? 186 PRO B CA  1 
ATOM   1511 C C   . PRO A 1 180 ? -31.323 -0.473  -20.615 1.00 10.72 ? 186 PRO B C   1 
ATOM   1512 O O   . PRO A 1 180 ? -30.965 -0.431  -19.448 1.00 11.98 ? 186 PRO B O   1 
ATOM   1513 C CB  . PRO A 1 180 ? -31.357 1.707   -21.827 1.00 12.72 ? 186 PRO B CB  1 
ATOM   1514 C CG  . PRO A 1 180 ? -31.112 2.684   -20.739 1.00 14.94 ? 186 PRO B CG  1 
ATOM   1515 C CD  . PRO A 1 180 ? -32.455 2.762   -20.017 1.00 13.45 ? 186 PRO B CD  1 
ATOM   1516 N N   . LEU A 1 181 ? -30.963 -1.420  -21.468 1.00 10.79 ? 187 LEU B N   1 
ATOM   1517 C CA  . LEU A 1 181 ? -29.724 -2.190  -21.283 1.00 10.47 ? 187 LEU B CA  1 
ATOM   1518 C C   . LEU A 1 181 ? -28.607 -1.381  -21.916 1.00 10.79 ? 187 LEU B C   1 
ATOM   1519 O O   . LEU A 1 181 ? -28.757 -0.894  -23.058 1.00 13.47 ? 187 LEU B O   1 
ATOM   1520 C CB  . LEU A 1 181 ? -29.854 -3.553  -21.919 1.00 10.47 ? 187 LEU B CB  1 
ATOM   1521 C CG  . LEU A 1 181 ? -30.880 -4.507  -21.331 1.00 11.80 ? 187 LEU B CG  1 
ATOM   1522 C CD1 . LEU A 1 181 ? -31.059 -5.772  -22.155 1.00 12.03 ? 187 LEU B CD1 1 
ATOM   1523 C CD2 . LEU A 1 181 ? -30.564 -4.895  -19.880 1.00 12.35 ? 187 LEU B CD2 1 
ATOM   1524 N N   . LYS A 1 182 ? -27.455 -1.327  -21.269 1.00 10.55 ? 188 LYS B N   1 
ATOM   1525 C CA  . LYS A 1 182 ? -26.303 -0.577  -21.817 1.00 12.16 ? 188 LYS B CA  1 
ATOM   1526 C C   . LYS A 1 182 ? -25.066 -1.467  -21.793 1.00 11.87 ? 188 LYS B C   1 
ATOM   1527 O O   . LYS A 1 182 ? -24.690 -1.979  -20.707 1.00 12.68 ? 188 LYS B O   1 
ATOM   1528 C CB  . LYS A 1 182 ? -26.018 0.720   -21.045 1.00 13.74 ? 188 LYS B CB  1 
ATOM   1529 C CG  . LYS A 1 182 ? -27.177 1.674   -20.857 1.00 16.80 ? 188 LYS B CG  1 
ATOM   1530 C CD  . LYS A 1 182 ? -26.746 3.014   -20.241 1.00 21.12 ? 188 LYS B CD  1 
ATOM   1531 C CE  . LYS A 1 182 ? -27.899 3.849   -19.725 1.00 23.87 ? 188 LYS B CE  1 
ATOM   1532 N NZ  . LYS A 1 182 ? -27.395 5.047   -19.008 1.00 29.39 ? 188 LYS B NZ  1 
ATOM   1533 N N   . LEU A 1 183 ? -24.325 -1.541  -22.861 1.00 11.28 ? 189 LEU B N   1 
ATOM   1534 C CA  . LEU A 1 183 ? -22.995 -2.214  -22.867 1.00 11.80 ? 189 LEU B CA  1 
ATOM   1535 C C   . LEU A 1 183 ? -21.995 -1.256  -22.232 1.00 13.89 ? 189 LEU B C   1 
ATOM   1536 O O   . LEU A 1 183 ? -21.819 -0.103  -22.749 1.00 15.58 ? 189 LEU B O   1 
ATOM   1537 C CB  . LEU A 1 183 ? -22.648 -2.601  -24.302 1.00 12.39 ? 189 LEU B CB  1 
ATOM   1538 C CG  . LEU A 1 183 ? -23.389 -3.854  -24.773 1.00 13.44 ? 189 LEU B CG  1 
ATOM   1539 C CD1 . LEU A 1 183 ? -23.585 -3.944  -26.287 1.00 16.63 ? 189 LEU B CD1 1 
ATOM   1540 C CD2 . LEU A 1 183 ? -22.740 -5.124  -24.217 1.00 11.70 ? 189 LEU B CD2 1 
ATOM   1541 N N   . CYS A 1 184 ? -21.333 -1.711  -21.179 1.00 15.18 ? 190 CYS B N   1 
ATOM   1542 C CA  . CYS A 1 184 ? -20.425 -0.865  -20.353 1.00 17.74 ? 190 CYS B CA  1 
ATOM   1543 C C   . CYS A 1 184 ? -19.054 -0.809  -20.985 1.00 19.19 ? 190 CYS B C   1 
ATOM   1544 O O   . CYS A 1 184 ? -18.581 -1.761  -21.564 1.00 20.08 ? 190 CYS B O   1 
ATOM   1545 C CB  . CYS A 1 184 ? -20.126 -1.491  -19.006 1.00 19.92 ? 190 CYS B CB  1 
ATOM   1546 S SG  . CYS A 1 184 ? -21.564 -2.007  -18.084 1.00 20.58 ? 190 CYS B SG  1 
ATOM   1547 N N   . PRO A 1 185 ? -18.357 0.338   -20.884 1.00 23.81 ? 191 PRO B N   1 
ATOM   1548 C CA  . PRO A 1 185 ? -17.054 0.500   -21.496 1.00 27.52 ? 191 PRO B CA  1 
ATOM   1549 C C   . PRO A 1 185 ? -16.063 -0.407  -20.766 1.00 26.15 ? 191 PRO B C   1 
ATOM   1550 O O   . PRO A 1 185 ? -16.218 -0.661  -19.573 1.00 27.46 ? 191 PRO B O   1 
ATOM   1551 C CB  . PRO A 1 185 ? -16.775 2.008   -21.339 1.00 27.96 ? 191 PRO B CB  1 
ATOM   1552 C CG  . PRO A 1 185 ? -17.543 2.372   -20.110 1.00 28.74 ? 191 PRO B CG  1 
ATOM   1553 C CD  . PRO A 1 185 ? -18.822 1.571   -20.228 1.00 25.75 ? 191 PRO B CD  1 
ATOM   1554 N N   . LEU A 1 186 ? -15.069 -0.836  -21.535 1.00 32.58 ? 192 LEU B N   1 
ATOM   1555 C CA  . LEU A 1 186 ? -13.790 -1.478  -21.141 1.00 36.41 ? 192 LEU B CA  1 
ATOM   1556 C C   . LEU A 1 186 ? -12.977 -0.534  -20.251 1.00 40.29 ? 192 LEU B C   1 
ATOM   1557 O O   . LEU A 1 186 ? -12.238 -1.020  -19.382 1.00 48.20 ? 192 LEU B O   1 
ATOM   1558 C CB  . LEU A 1 186 ? -13.028 -1.775  -22.435 1.00 35.97 ? 192 LEU B CB  1 
HETATM 1559 N N1  . NZJ B 2 .   ? -44.957 -3.798  -24.037 0.32 16.90 ? 201 NZJ B N1  1 
HETATM 1560 C C4  . NZJ B 2 .   ? -42.771 -6.305  -27.108 0.32 15.72 ? 201 NZJ B C4  1 
HETATM 1561 C C5  . NZJ B 2 .   ? -43.016 -5.453  -26.047 0.32 15.64 ? 201 NZJ B C5  1 
HETATM 1562 C C6  . NZJ B 2 .   ? -43.949 -5.798  -25.081 0.32 15.84 ? 201 NZJ B C6  1 
HETATM 1563 C C7  . NZJ B 2 .   ? -44.629 -7.015  -25.203 0.32 15.92 ? 201 NZJ B C7  1 
HETATM 1564 C C8  . NZJ B 2 .   ? -44.200 -4.898  -23.905 0.32 15.91 ? 201 NZJ B C8  1 
HETATM 1565 C C10 . NZJ B 2 .   ? -47.041 -3.062  -25.102 0.32 18.55 ? 201 NZJ B C10 1 
HETATM 1566 C C13 . NZJ B 2 .   ? -45.152 -2.865  -22.921 0.32 18.13 ? 201 NZJ B C13 1 
HETATM 1567 C C1  . NZJ B 2 .   ? -45.143 -9.185  -26.388 0.32 16.88 ? 201 NZJ B C1  1 
HETATM 1568 C C11 . NZJ B 2 .   ? -47.209 -1.979  -24.038 0.32 19.22 ? 201 NZJ B C11 1 
HETATM 1569 C C12 . NZJ B 2 .   ? -46.612 -2.503  -22.732 0.32 18.36 ? 201 NZJ B C12 1 
HETATM 1570 C C14 . NZJ B 2 .   ? -48.663 -1.546  -23.891 0.32 21.56 ? 201 NZJ B C14 1 
HETATM 1571 C C2  . NZJ B 2 .   ? -44.390 -7.884  -26.263 0.32 16.33 ? 201 NZJ B C2  1 
HETATM 1572 C C3  . NZJ B 2 .   ? -43.457 -7.502  -27.211 0.32 15.54 ? 201 NZJ B C3  1 
HETATM 1573 C C9  . NZJ B 2 .   ? -45.575 -3.373  -25.298 0.32 17.73 ? 201 NZJ B C9  1 
HETATM 1574 N N2  . NZJ B 2 .   ? -49.295 -1.891  -22.771 0.32 22.88 ? 201 NZJ B N2  1 
HETATM 1575 O O1  . NZJ B 2 .   ? -43.663 -5.181  -22.842 0.32 15.15 ? 201 NZJ B O1  1 
HETATM 1576 O O2  . NZJ B 2 .   ? -49.214 -0.875  -24.774 0.32 25.34 ? 201 NZJ B O2  1 
HETATM 1577 C C1  . EDO C 3 .   ? -50.358 -16.993 -33.234 1.00 36.14 ? 202 EDO B C1  1 
HETATM 1578 O O1  . EDO C 3 .   ? -49.064 -16.437 -33.155 1.00 31.40 ? 202 EDO B O1  1 
HETATM 1579 C C2  . EDO C 3 .   ? -51.032 -17.016 -31.931 1.00 37.98 ? 202 EDO B C2  1 
HETATM 1580 O O2  . EDO C 3 .   ? -51.144 -15.720 -31.377 1.00 46.77 ? 202 EDO B O2  1 
HETATM 1581 S S   . SO4 D 4 .   ? -40.455 -24.627 -26.165 1.00 36.45 ? 203 SO4 B S   1 
HETATM 1582 O O1  . SO4 D 4 .   ? -39.740 -23.682 -26.987 1.00 22.65 ? 203 SO4 B O1  1 
HETATM 1583 O O2  . SO4 D 4 .   ? -41.334 -25.409 -26.982 1.00 42.02 ? 203 SO4 B O2  1 
HETATM 1584 O O3  . SO4 D 4 .   ? -39.499 -25.498 -25.511 1.00 43.02 ? 203 SO4 B O3  1 
HETATM 1585 O O4  . SO4 D 4 .   ? -41.222 -23.948 -25.150 1.00 40.48 ? 203 SO4 B O4  1 
HETATM 1586 O O   . HOH E 5 .   ? -42.752 1.222   -22.944 1.00 34.38 ? 301 HOH B O   1 
HETATM 1587 O O   . HOH E 5 .   ? -22.572 -1.749  -9.870  1.00 26.64 ? 302 HOH B O   1 
HETATM 1588 O O   . HOH E 5 .   ? -45.660 3.670   -34.242 1.00 18.11 ? 303 HOH B O   1 
HETATM 1589 O O   . HOH E 5 .   ? -26.828 -28.466 -28.012 1.00 19.36 ? 304 HOH B O   1 
HETATM 1590 O O   . HOH E 5 .   ? -40.083 -1.110  -9.952  1.00 29.19 ? 305 HOH B O   1 
HETATM 1591 O O   . HOH E 5 .   ? -36.221 5.412   -15.829 1.00 20.17 ? 306 HOH B O   1 
HETATM 1592 O O   . HOH E 5 .   ? -18.736 -21.939 -35.732 1.00 15.92 ? 307 HOH B O   1 
HETATM 1593 O O   . HOH E 5 .   ? -37.849 2.889   -22.873 1.00 18.37 ? 308 HOH B O   1 
HETATM 1594 O O   . HOH E 5 .   ? -26.307 3.457   -35.219 1.00 29.67 ? 309 HOH B O   1 
HETATM 1595 O O   . HOH E 5 .   ? -33.850 5.016   -17.055 1.00 29.67 ? 310 HOH B O   1 
HETATM 1596 O O   . HOH E 5 .   ? -13.489 -23.578 -31.599 1.00 14.98 ? 311 HOH B O   1 
HETATM 1597 O O   . HOH E 5 .   ? -29.702 -12.585 -37.777 1.00 21.19 ? 312 HOH B O   1 
HETATM 1598 O O   . HOH E 5 .   ? -24.471 -30.967 -22.002 1.00 35.71 ? 313 HOH B O   1 
HETATM 1599 O O   . HOH E 5 .   ? -21.092 -5.971  -2.151  1.00 43.74 ? 314 HOH B O   1 
HETATM 1600 O O   . HOH E 5 .   ? -47.074 -17.052 -31.576 1.00 18.87 ? 315 HOH B O   1 
HETATM 1601 O O   . HOH E 5 .   ? -32.957 1.009   -33.568 1.00 19.71 ? 316 HOH B O   1 
HETATM 1602 O O   . HOH E 5 .   ? -19.349 -29.639 -15.454 1.00 26.62 ? 317 HOH B O   1 
HETATM 1603 O O   . HOH E 5 .   ? -35.784 -22.396 -19.443 1.00 23.03 ? 318 HOH B O   1 
HETATM 1604 O O   . HOH E 5 .   ? -12.559 -21.268 -18.744 1.00 24.45 ? 319 HOH B O   1 
HETATM 1605 O O   . HOH E 5 .   ? -35.380 -17.056 -8.241  1.00 39.61 ? 320 HOH B O   1 
HETATM 1606 O O   . HOH E 5 .   ? -25.971 -22.639 -35.840 1.00 22.04 ? 321 HOH B O   1 
HETATM 1607 O O   . HOH E 5 .   ? -36.943 -16.426 -39.253 1.00 25.53 ? 322 HOH B O   1 
HETATM 1608 O O   . HOH E 5 .   ? -30.722 -6.634  -11.338 1.00 14.13 ? 323 HOH B O   1 
HETATM 1609 O O   . HOH E 5 .   ? -49.536 -1.575  -19.551 1.00 24.77 ? 324 HOH B O   1 
HETATM 1610 O O   . HOH E 5 .   ? -15.498 -5.372  -13.659 1.00 28.93 ? 325 HOH B O   1 
HETATM 1611 O O   . HOH E 5 .   ? -16.099 -19.531 -15.681 1.00 23.94 ? 326 HOH B O   1 
HETATM 1612 O O   . HOH E 5 .   ? -38.193 0.400   -11.861 1.00 33.76 ? 327 HOH B O   1 
HETATM 1613 O O   . HOH E 5 .   ? -36.726 -26.016 -23.780 1.00 32.42 ? 328 HOH B O   1 
HETATM 1614 O O   . HOH E 5 .   ? -37.686 -14.597 -21.289 1.00 32.96 ? 329 HOH B O   1 
HETATM 1615 O O   . HOH E 5 .   ? -8.971  -13.478 -25.377 1.00 31.91 ? 330 HOH B O   1 
HETATM 1616 O O   . HOH E 5 .   ? -35.716 -19.338 -30.485 1.00 28.87 ? 331 HOH B O   1 
HETATM 1617 O O   . HOH E 5 .   ? -45.415 0.142   -11.847 1.00 22.43 ? 332 HOH B O   1 
HETATM 1618 O O   . HOH E 5 .   ? -23.843 1.299   -10.886 1.00 35.82 ? 333 HOH B O   1 
HETATM 1619 O O   . HOH E 5 .   ? -38.621 -2.528  -21.346 1.00 14.53 ? 334 HOH B O   1 
HETATM 1620 O O   . HOH E 5 .   ? -26.428 -25.671 -16.350 1.00 15.53 ? 335 HOH B O   1 
HETATM 1621 O O   . HOH E 5 .   ? -17.535 -27.603 -19.630 1.00 17.56 ? 336 HOH B O   1 
HETATM 1622 O O   . HOH E 5 .   ? -17.476 -21.232 -12.447 1.00 15.98 ? 337 HOH B O   1 
HETATM 1623 O O   . HOH E 5 .   ? -51.651 0.269   -24.350 1.00 29.59 ? 338 HOH B O   1 
HETATM 1624 O O   . HOH E 5 .   ? -37.180 -25.570 -11.335 1.00 36.91 ? 339 HOH B O   1 
HETATM 1625 O O   . HOH E 5 .   ? -45.784 -14.662 -27.551 1.00 35.16 ? 340 HOH B O   1 
HETATM 1626 O O   . HOH E 5 .   ? -18.480 -4.640  -24.829 1.00 16.63 ? 341 HOH B O   1 
HETATM 1627 O O   . HOH E 5 .   ? -19.310 -4.333  -22.162 1.00 14.76 ? 342 HOH B O   1 
HETATM 1628 O O   . HOH E 5 .   ? -40.298 -14.401 -31.326 1.00 13.96 ? 343 HOH B O   1 
HETATM 1629 O O   . HOH E 5 .   ? -38.424 -7.605  -10.752 1.00 14.42 ? 344 HOH B O   1 
HETATM 1630 O O   . HOH E 5 .   ? -30.796 -20.308 -21.329 1.00 10.59 ? 345 HOH B O   1 
HETATM 1631 O O   . HOH E 5 .   ? -42.937 -15.303 -10.083 1.00 19.41 ? 346 HOH B O   1 
HETATM 1632 O O   . HOH E 5 .   ? -32.861 -18.115 -37.227 1.00 28.78 ? 347 HOH B O   1 
HETATM 1633 O O   . HOH E 5 .   ? -23.285 4.347   -24.773 1.00 23.30 ? 348 HOH B O   1 
HETATM 1634 O O   . HOH E 5 .   ? -34.075 -22.049 -31.349 1.00 16.31 ? 349 HOH B O   1 
HETATM 1635 O O   . HOH E 5 .   ? -30.230 -23.929 -34.084 1.00 18.87 ? 350 HOH B O   1 
HETATM 1636 O O   . HOH E 5 .   ? -42.178 -4.033  -39.338 1.00 23.27 ? 351 HOH B O   1 
HETATM 1637 O O   . HOH E 5 .   ? -44.944 -7.819  -39.042 1.00 14.04 ? 352 HOH B O   1 
HETATM 1638 O O   . HOH E 5 .   ? -19.088 -29.152 -23.416 1.00 21.54 ? 353 HOH B O   1 
HETATM 1639 O O   . HOH E 5 .   ? -26.454 1.980   -11.077 1.00 27.23 ? 354 HOH B O   1 
HETATM 1640 O O   . HOH E 5 .   ? -28.316 -21.496 -8.873  1.00 17.17 ? 355 HOH B O   1 
HETATM 1641 O O   . HOH E 5 .   ? -27.067 -20.112 -6.928  1.00 16.51 ? 356 HOH B O   1 
HETATM 1642 O O   . HOH E 5 .   ? -36.532 -23.112 -30.701 1.00 28.72 ? 357 HOH B O   1 
HETATM 1643 O O   . HOH E 5 .   ? -42.446 -5.776  -12.268 1.00 20.42 ? 358 HOH B O   1 
HETATM 1644 O O   . HOH E 5 .   ? -17.928 -19.841 -37.525 1.00 24.66 ? 359 HOH B O   1 
HETATM 1645 O O   . HOH E 5 .   ? -33.955 -21.769 -36.622 1.00 34.15 ? 360 HOH B O   1 
HETATM 1646 O O   . HOH E 5 .   ? -40.994 -9.279  -36.591 1.00 21.30 ? 361 HOH B O   1 
HETATM 1647 O O   . HOH E 5 .   ? -9.402  -18.628 -30.236 1.00 41.22 ? 362 HOH B O   1 
HETATM 1648 O O   . HOH E 5 .   ? -26.621 -17.482 -7.754  1.00 15.22 ? 363 HOH B O   1 
HETATM 1649 O O   . HOH E 5 .   ? -45.218 -12.298 -26.327 1.00 30.91 ? 364 HOH B O   1 
HETATM 1650 O O   . HOH E 5 .   ? -23.222 2.296   -23.147 1.00 26.30 ? 365 HOH B O   1 
HETATM 1651 O O   . HOH E 5 .   ? -10.829 -21.211 -25.224 1.00 25.81 ? 366 HOH B O   1 
HETATM 1652 O O   . HOH E 5 .   ? -36.258 -1.937  -33.811 1.00 16.93 ? 367 HOH B O   1 
HETATM 1653 O O   . HOH E 5 .   ? -20.895 -16.346 -5.513  1.00 15.20 ? 368 HOH B O   1 
HETATM 1654 O O   . HOH E 5 .   ? -30.690 1.216   -17.121 1.00 20.96 ? 369 HOH B O   1 
HETATM 1655 O O   . HOH E 5 .   ? -40.697 -14.478 -8.507  1.00 26.56 ? 370 HOH B O   1 
HETATM 1656 O O   . HOH E 5 .   ? -23.798 -20.949 -38.924 1.00 20.12 ? 371 HOH B O   1 
HETATM 1657 O O   . HOH E 5 .   ? -25.583 -14.119 -3.180  1.00 29.46 ? 372 HOH B O   1 
HETATM 1658 O O   . HOH E 5 .   ? -16.558 -5.624  -9.409  1.00 31.37 ? 373 HOH B O   1 
HETATM 1659 O O   . HOH E 5 .   ? -10.166 -23.493 -21.863 1.00 27.24 ? 374 HOH B O   1 
HETATM 1660 O O   . HOH E 5 .   ? -36.441 -0.970  -22.137 1.00 12.61 ? 375 HOH B O   1 
HETATM 1661 O O   . HOH E 5 .   ? -32.193 -4.936  -12.972 1.00 12.44 ? 376 HOH B O   1 
HETATM 1662 O O   . HOH E 5 .   ? -17.862 -4.252  -6.033  1.00 38.26 ? 377 HOH B O   1 
HETATM 1663 O O   . HOH E 5 .   ? -45.819 -4.386  -34.010 1.00 23.97 ? 378 HOH B O   1 
HETATM 1664 O O   . HOH E 5 .   ? -13.325 -20.962 -35.097 1.00 29.96 ? 379 HOH B O   1 
HETATM 1665 O O   . HOH E 5 .   ? -15.078 -19.723 -37.522 1.00 22.26 ? 380 HOH B O   1 
HETATM 1666 O O   . HOH E 5 .   ? -19.725 1.706   -30.753 1.00 31.82 ? 381 HOH B O   1 
HETATM 1667 O O   . HOH E 5 .   ? -35.507 -4.724  -42.195 1.00 22.82 ? 382 HOH B O   1 
HETATM 1668 O O   . HOH E 5 .   ? -36.916 0.802   -15.610 1.00 15.23 ? 383 HOH B O   1 
HETATM 1669 O O   . HOH E 5 .   ? -33.622 -1.851  -38.277 1.00 23.52 ? 384 HOH B O   1 
HETATM 1670 O O   . HOH E 5 .   ? -18.299 -17.382 -36.385 1.00 25.40 ? 385 HOH B O   1 
HETATM 1671 O O   . HOH E 5 .   ? -41.033 -6.005  -37.959 1.00 39.76 ? 386 HOH B O   1 
HETATM 1672 O O   . HOH E 5 .   ? -12.650 -18.395 -34.773 1.00 33.78 ? 387 HOH B O   1 
HETATM 1673 O O   . HOH E 5 .   ? -9.296  -20.821 -28.945 1.00 34.70 ? 388 HOH B O   1 
HETATM 1674 O O   . HOH E 5 .   ? -25.239 -10.492 -23.634 1.00 11.66 ? 389 HOH B O   1 
HETATM 1675 O O   . HOH E 5 .   ? -45.682 -19.745 -31.634 1.00 23.03 ? 390 HOH B O   1 
HETATM 1676 O O   . HOH E 5 .   ? -23.967 -12.270 -6.594  1.00 16.56 ? 391 HOH B O   1 
HETATM 1677 O O   . HOH E 5 .   ? -39.858 6.064   -26.324 1.00 35.53 ? 392 HOH B O   1 
HETATM 1678 O O   . HOH E 5 .   ? -15.945 -11.873 -5.529  1.00 38.06 ? 393 HOH B O   1 
HETATM 1679 O O   . HOH E 5 .   ? -40.878 -8.358  -13.449 1.00 19.68 ? 394 HOH B O   1 
HETATM 1680 O O   . HOH E 5 .   ? -14.461 -16.513 -33.047 1.00 27.70 ? 395 HOH B O   1 
HETATM 1681 O O   . HOH E 5 .   ? -13.211 -6.222  -29.264 1.00 30.36 ? 396 HOH B O   1 
HETATM 1682 O O   . HOH E 5 .   ? -24.770 -14.943 -6.871  1.00 14.23 ? 397 HOH B O   1 
HETATM 1683 O O   . HOH E 5 .   ? -33.286 -14.854 -6.995  1.00 18.40 ? 398 HOH B O   1 
HETATM 1684 O O   . HOH E 5 .   ? -24.804 -10.940 -4.265  1.00 23.25 ? 399 HOH B O   1 
HETATM 1685 O O   . HOH E 5 .   ? -9.274  -16.083 -26.565 1.00 27.75 ? 400 HOH B O   1 
HETATM 1686 O O   . HOH E 5 .   ? -25.639 -26.972 -23.721 1.00 15.33 ? 401 HOH B O   1 
HETATM 1687 O O   . HOH E 5 .   ? -31.391 3.410   -26.932 1.00 21.66 ? 402 HOH B O   1 
HETATM 1688 O O   . HOH E 5 .   ? -18.142 -15.963 -6.084  1.00 19.12 ? 403 HOH B O   1 
HETATM 1689 O O   . HOH E 5 .   ? -28.818 7.736   -30.110 1.00 29.15 ? 404 HOH B O   1 
HETATM 1690 O O   . HOH E 5 .   ? -40.456 -7.449  -34.629 1.00 22.07 ? 405 HOH B O   1 
HETATM 1691 O O   . HOH E 5 .   ? -17.976 -11.275 -35.704 1.00 24.67 ? 406 HOH B O   1 
HETATM 1692 O O   . HOH E 5 .   ? -39.928 -11.431 -22.760 1.00 30.66 ? 407 HOH B O   1 
HETATM 1693 O O   . HOH E 5 .   ? -34.175 -7.123  -7.951  1.00 26.29 ? 408 HOH B O   1 
HETATM 1694 O O   . HOH E 5 .   ? -34.632 -8.916  -6.104  1.00 38.35 ? 409 HOH B O   1 
HETATM 1695 O O   . HOH E 5 .   ? -30.939 4.062   -24.402 1.00 20.86 ? 410 HOH B O   1 
HETATM 1696 O O   . HOH E 5 .   ? -36.284 -0.426  -41.897 1.00 36.24 ? 411 HOH B O   1 
HETATM 1697 O O   . HOH E 5 .   ? -38.629 3.776   -13.562 1.00 32.37 ? 412 HOH B O   1 
HETATM 1698 O O   . HOH E 5 .   ? -41.130 -8.820  -19.411 1.00 15.02 ? 413 HOH B O   1 
HETATM 1699 O O   . HOH E 5 .   ? -16.073 -14.708 -8.645  1.00 27.57 ? 414 HOH B O   1 
HETATM 1700 O O   . HOH E 5 .   ? -42.359 -5.146  -43.792 1.00 24.30 ? 415 HOH B O   1 
HETATM 1701 O O   . HOH E 5 .   ? -52.428 -13.999 -29.234 1.00 42.08 ? 416 HOH B O   1 
HETATM 1702 O O   . HOH E 5 .   ? -30.791 -17.303 -42.747 1.00 33.97 ? 417 HOH B O   1 
HETATM 1703 O O   . HOH E 5 .   ? -25.129 6.930   -29.026 1.00 27.60 ? 418 HOH B O   1 
HETATM 1704 O O   . HOH E 5 .   ? -41.190 5.391   -28.645 1.00 24.89 ? 419 HOH B O   1 
HETATM 1705 O O   . HOH E 5 .   ? -19.680 2.150   -23.985 1.00 35.25 ? 420 HOH B O   1 
HETATM 1706 O O   . HOH E 5 .   ? -40.889 6.419   -33.082 1.00 31.46 ? 421 HOH B O   1 
HETATM 1707 O O   . HOH E 5 .   ? -24.426 -4.460  -36.955 1.00 34.70 ? 422 HOH B O   1 
HETATM 1708 O O   . HOH E 5 .   ? -15.928 -7.395  -11.403 1.00 28.44 ? 423 HOH B O   1 
HETATM 1709 O O   . HOH E 5 .   ? -42.989 3.676   -18.720 1.00 25.88 ? 424 HOH B O   1 
HETATM 1710 O O   . HOH E 5 .   ? -47.647 0.000   -33.021 0.50 23.07 ? 425 HOH B O   1 
HETATM 1711 O O   . HOH E 5 .   ? -32.873 -23.575 -33.469 1.00 28.76 ? 426 HOH B O   1 
HETATM 1712 O O   . HOH E 5 .   ? -8.393  -23.020 -30.255 1.00 26.90 ? 427 HOH B O   1 
HETATM 1713 O O   . HOH E 5 .   ? -36.591 -6.621  -8.950  1.00 29.62 ? 428 HOH B O   1 
HETATM 1714 O O   . HOH E 5 .   ? -21.765 6.951   -32.331 1.00 29.36 ? 429 HOH B O   1 
HETATM 1715 O O   . HOH E 5 .   ? -40.282 5.118   -22.112 1.00 37.04 ? 430 HOH B O   1 
HETATM 1716 O O   . HOH E 5 .   ? -36.677 1.855   -42.585 1.00 51.25 ? 431 HOH B O   1 
HETATM 1717 O O   . HOH E 5 .   ? -41.230 -9.928  -43.867 1.00 37.73 ? 432 HOH B O   1 
HETATM 1718 O O   . HOH E 5 .   ? -26.398 -28.112 -21.530 1.00 33.70 ? 433 HOH B O   1 
HETATM 1719 O O   . HOH E 5 .   ? -27.489 -28.607 -24.999 1.00 27.69 ? 434 HOH B O   1 
HETATM 1720 O O   . HOH E 5 .   ? -22.722 3.405   -20.753 1.00 34.77 ? 435 HOH B O   1 
HETATM 1721 O O   . HOH E 5 .   ? -38.912 -16.624 -40.847 1.00 35.84 ? 436 HOH B O   1 
HETATM 1722 O O   . HOH E 5 .   ? -15.876 -22.189 -14.574 1.00 25.75 ? 437 HOH B O   1 
HETATM 1723 O O   . HOH E 5 .   ? -28.295 -27.680 -16.784 1.00 24.08 ? 438 HOH B O   1 
HETATM 1724 O O   . HOH E 5 .   ? -16.002 -26.818 -17.170 1.00 30.10 ? 439 HOH B O   1 
HETATM 1725 O O   . HOH E 5 .   ? -26.404 -31.064 -23.988 1.00 27.99 ? 440 HOH B O   1 
# 
