data_8VJE
# 
_entry.id   8VJE 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_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   8VJE         pdb_00008vje 10.2210/pdb8vje/pdb 
WWPDB D_1000280205 ?            ?                   
# 
loop_
_pdbx_audit_revision_history.ordinal 
_pdbx_audit_revision_history.data_content_type 
_pdbx_audit_revision_history.major_revision 
_pdbx_audit_revision_history.minor_revision 
_pdbx_audit_revision_history.revision_date 
_pdbx_audit_revision_history.part_number 
1 'Structure model' 1 0 2024-11-06 ? 
2 'Structure model' 1 1 2025-03-05 ? 
# 
_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_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1  2 'Structure model' '_citation.country'                 
2  2 'Structure model' '_citation.journal_abbrev'          
3  2 'Structure model' '_citation.journal_id_ASTM'         
4  2 'Structure model' '_citation.journal_id_CSD'          
5  2 'Structure model' '_citation.journal_id_ISSN'         
6  2 'Structure model' '_citation.journal_volume'          
7  2 'Structure model' '_citation.page_first'              
8  2 'Structure model' '_citation.page_last'               
9  2 'Structure model' '_citation.pdbx_database_id_DOI'    
10 2 'Structure model' '_citation.pdbx_database_id_PubMed' 
11 2 'Structure model' '_citation.title'                   
12 2 'Structure model' '_citation.year'                    
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8VJE 
_pdbx_database_status.recvd_initial_deposition_date   2024-01-06 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              gregorb@ucr.edu 
_pdbx_contact_author.name_first         Gregor 
_pdbx_contact_author.name_last          Blaha 
_pdbx_contact_author.name_mi            M. 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-7228-0185 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Rodriguez, I.' 1 ? 
'Blaha, G.'     2 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Proc.Natl.Acad.Sci.USA 
_citation.journal_id_ASTM           PNASA6 
_citation.journal_id_CSD            0040 
_citation.journal_id_ISSN           1091-6490 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            121 
_citation.language                  ? 
_citation.page_first                e2403330121 
_citation.page_last                 e2403330121 
_citation.title                     'Targeted degradation of Pin1 by protein-destabilizing compounds.' 
_citation.year                      2024 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1073/pnas.2403330121 
_citation.pdbx_database_id_PubMed   39531501 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Alboreggia, G.'  1 ?                   
primary 'Udompholkul, P.' 2 ?                   
primary 'Rodriguez, I.'   3 0009-0004-7522-8947 
primary 'Blaha, G.'       4 0000-0001-7228-0185 
primary 'Pellecchia, M.'  5 0000-0001-5179-470X 
# 
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 'Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1' 18467.473 1   5.2.1.8 R14A ? ? 
2 polymer     syn 'Inhibitor 158F10'                                       516.612   1   ?       ?    ? ? 
3 non-polymer syn 'SULFATE ION'                                            96.063    5   ?       ?    ? ? 
4 non-polymer syn 2,3-DIHYDROXY-1,4-DITHIOBUTANE                           154.251   1   ?       ?    ? ? 
5 non-polymer syn 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL                  326.383   1   ?       ?    ? ? 
6 water       nat water                                                    18.015    157 ?       ?    ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Peptidyl-prolyl cis-trans isomerase Pin1,PPIase Pin1,Rotamase Pin1' 
# 
loop_
_entity_poly.entity_id 
_entity_poly.type 
_entity_poly.nstd_linkage 
_entity_poly.nstd_monomer 
_entity_poly.pdbx_seq_one_letter_code 
_entity_poly.pdbx_seq_one_letter_code_can 
_entity_poly.pdbx_strand_id 
_entity_poly.pdbx_target_identifier 
1 'polypeptide(L)' no no  
;GSHMADEEKLPPGWEKAMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEK
ITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIH
IILRTE
;
;GSHMADEEKLPPGWEKAMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEK
ITRTKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIH
IILRTE
;
A ? 
2 'polypeptide(L)' no yes '(ACE)F(YCP)(A1A2Y)(NH2)' XFXXX B ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 'SULFATE ION'                           SO4 
4 2,3-DIHYDROXY-1,4-DITHIOBUTANE          DTT 
5 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL P33 
6 water                                   HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY   n 
1 2   SER   n 
1 3   HIS   n 
1 4   MET   n 
1 5   ALA   n 
1 6   ASP   n 
1 7   GLU   n 
1 8   GLU   n 
1 9   LYS   n 
1 10  LEU   n 
1 11  PRO   n 
1 12  PRO   n 
1 13  GLY   n 
1 14  TRP   n 
1 15  GLU   n 
1 16  LYS   n 
1 17  ALA   n 
1 18  MET   n 
1 19  SER   n 
1 20  ARG   n 
1 21  SER   n 
1 22  SER   n 
1 23  GLY   n 
1 24  ARG   n 
1 25  VAL   n 
1 26  TYR   n 
1 27  TYR   n 
1 28  PHE   n 
1 29  ASN   n 
1 30  HIS   n 
1 31  ILE   n 
1 32  THR   n 
1 33  ASN   n 
1 34  ALA   n 
1 35  SER   n 
1 36  GLN   n 
1 37  TRP   n 
1 38  GLU   n 
1 39  ARG   n 
1 40  PRO   n 
1 41  SER   n 
1 42  GLY   n 
1 43  ASN   n 
1 44  SER   n 
1 45  SER   n 
1 46  SER   n 
1 47  GLY   n 
1 48  GLY   n 
1 49  LYS   n 
1 50  ASN   n 
1 51  GLY   n 
1 52  GLN   n 
1 53  GLY   n 
1 54  GLU   n 
1 55  PRO   n 
1 56  ALA   n 
1 57  ARG   n 
1 58  VAL   n 
1 59  ARG   n 
1 60  CYS   n 
1 61  SER   n 
1 62  HIS   n 
1 63  LEU   n 
1 64  LEU   n 
1 65  VAL   n 
1 66  LYS   n 
1 67  HIS   n 
1 68  SER   n 
1 69  GLN   n 
1 70  SER   n 
1 71  ARG   n 
1 72  ARG   n 
1 73  PRO   n 
1 74  SER   n 
1 75  SER   n 
1 76  TRP   n 
1 77  ARG   n 
1 78  GLN   n 
1 79  GLU   n 
1 80  LYS   n 
1 81  ILE   n 
1 82  THR   n 
1 83  ARG   n 
1 84  THR   n 
1 85  LYS   n 
1 86  GLU   n 
1 87  GLU   n 
1 88  ALA   n 
1 89  LEU   n 
1 90  GLU   n 
1 91  LEU   n 
1 92  ILE   n 
1 93  ASN   n 
1 94  GLY   n 
1 95  TYR   n 
1 96  ILE   n 
1 97  GLN   n 
1 98  LYS   n 
1 99  ILE   n 
1 100 LYS   n 
1 101 SER   n 
1 102 GLY   n 
1 103 GLU   n 
1 104 GLU   n 
1 105 ASP   n 
1 106 PHE   n 
1 107 GLU   n 
1 108 SER   n 
1 109 LEU   n 
1 110 ALA   n 
1 111 SER   n 
1 112 GLN   n 
1 113 PHE   n 
1 114 SER   n 
1 115 ASP   n 
1 116 CYS   n 
1 117 SER   n 
1 118 SER   n 
1 119 ALA   n 
1 120 LYS   n 
1 121 ALA   n 
1 122 ARG   n 
1 123 GLY   n 
1 124 ASP   n 
1 125 LEU   n 
1 126 GLY   n 
1 127 ALA   n 
1 128 PHE   n 
1 129 SER   n 
1 130 ARG   n 
1 131 GLY   n 
1 132 GLN   n 
1 133 MET   n 
1 134 GLN   n 
1 135 LYS   n 
1 136 PRO   n 
1 137 PHE   n 
1 138 GLU   n 
1 139 ASP   n 
1 140 ALA   n 
1 141 SER   n 
1 142 PHE   n 
1 143 ALA   n 
1 144 LEU   n 
1 145 ARG   n 
1 146 THR   n 
1 147 GLY   n 
1 148 GLU   n 
1 149 MET   n 
1 150 SER   n 
1 151 GLY   n 
1 152 PRO   n 
1 153 VAL   n 
1 154 PHE   n 
1 155 THR   n 
1 156 ASP   n 
1 157 SER   n 
1 158 GLY   n 
1 159 ILE   n 
1 160 HIS   n 
1 161 ILE   n 
1 162 ILE   n 
1 163 LEU   n 
1 164 ARG   n 
1 165 THR   n 
1 166 GLU   n 
2 1   ACE   n 
2 2   PHE   n 
2 3   YCP   n 
2 4   A1A2Y n 
2 5   NH2   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                   166 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 PIN1 
_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      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_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 'BL21-Gold(DE3)pLysS AG'
;
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     866768 
_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                   ? 
# 
_pdbx_entity_src_syn.entity_id              2 
_pdbx_entity_src_syn.pdbx_src_id            1 
_pdbx_entity_src_syn.pdbx_alt_source_flag   sample 
_pdbx_entity_src_syn.pdbx_beg_seq_num       1 
_pdbx_entity_src_syn.pdbx_end_seq_num       5 
_pdbx_entity_src_syn.organism_scientific    'synthetic construct' 
_pdbx_entity_src_syn.organism_common_name   ? 
_pdbx_entity_src_syn.ncbi_taxonomy_id       32630 
_pdbx_entity_src_syn.details                ? 
# 
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 
A1A2Y non-polymer         n 5-methoxy-L-tryptophan                  ?                              'C12 H14 N2 O3'  234.251 
ACE   non-polymer         . 'ACETYL GROUP'                          ?                              'C2 H4 O'        44.053  
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 
DTT   non-polymer         . 2,3-DIHYDROXY-1,4-DITHIOBUTANE          1,4-DITHIOTHREITOL             'C4 H10 O2 S2'   154.251 
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 
NH2   non-polymer         . 'AMINO GROUP'                           ?                              'H2 N'           16.023  
P33   non-polymer         . 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL 'HEPTAETHYLENE GLYCOL; PEG330' 'C14 H30 O8'     326.383 
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 
YCP   'L-peptide linking' . '(2S)-piperidine-2-carboxylic acid'     ?                              'C6 H11 N O2'    129.157 
# 
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   GLY   1   -2  ?   ?     ?   A . n 
A 1 2   SER   2   -1  ?   ?     ?   A . n 
A 1 3   HIS   3   0   ?   ?     ?   A . n 
A 1 4   MET   4   1   ?   ?     ?   A . n 
A 1 5   ALA   5   2   ?   ?     ?   A . n 
A 1 6   ASP   6   3   ?   ?     ?   A . n 
A 1 7   GLU   7   4   ?   ?     ?   A . n 
A 1 8   GLU   8   5   ?   ?     ?   A . n 
A 1 9   LYS   9   6   ?   ?     ?   A . n 
A 1 10  LEU   10  7   7   LEU   LEU A . n 
A 1 11  PRO   11  8   8   PRO   PRO A . n 
A 1 12  PRO   12  9   9   PRO   PRO A . n 
A 1 13  GLY   13  10  10  GLY   GLY A . n 
A 1 14  TRP   14  11  11  TRP   TRP A . n 
A 1 15  GLU   15  12  12  GLU   GLU A . n 
A 1 16  LYS   16  13  13  LYS   LYS A . n 
A 1 17  ALA   17  14  14  ALA   ALA A . n 
A 1 18  MET   18  15  15  MET   MET A . n 
A 1 19  SER   19  16  16  SER   SER A . n 
A 1 20  ARG   20  17  17  ARG   ARG A . n 
A 1 21  SER   21  18  18  SER   SER A . n 
A 1 22  SER   22  19  19  SER   SER A . n 
A 1 23  GLY   23  20  20  GLY   GLY A . n 
A 1 24  ARG   24  21  21  ARG   ARG A . n 
A 1 25  VAL   25  22  22  VAL   VAL A . n 
A 1 26  TYR   26  23  23  TYR   TYR A . n 
A 1 27  TYR   27  24  24  TYR   TYR A . n 
A 1 28  PHE   28  25  25  PHE   PHE A . n 
A 1 29  ASN   29  26  26  ASN   ASN A . n 
A 1 30  HIS   30  27  27  HIS   HIS A . n 
A 1 31  ILE   31  28  28  ILE   ILE A . n 
A 1 32  THR   32  29  29  THR   THR A . n 
A 1 33  ASN   33  30  30  ASN   ASN A . n 
A 1 34  ALA   34  31  31  ALA   ALA A . n 
A 1 35  SER   35  32  32  SER   SER A . n 
A 1 36  GLN   36  33  33  GLN   GLN A . n 
A 1 37  TRP   37  34  34  TRP   TRP A . n 
A 1 38  GLU   38  35  35  GLU   GLU A . n 
A 1 39  ARG   39  36  36  ARG   ARG A . n 
A 1 40  PRO   40  37  37  PRO   PRO A . n 
A 1 41  SER   41  38  38  SER   SER A . n 
A 1 42  GLY   42  39  ?   ?     ?   A . n 
A 1 43  ASN   43  40  ?   ?     ?   A . n 
A 1 44  SER   44  41  ?   ?     ?   A . n 
A 1 45  SER   45  42  ?   ?     ?   A . n 
A 1 46  SER   46  43  ?   ?     ?   A . n 
A 1 47  GLY   47  44  ?   ?     ?   A . n 
A 1 48  GLY   48  45  ?   ?     ?   A . n 
A 1 49  LYS   49  46  ?   ?     ?   A . n 
A 1 50  ASN   50  47  ?   ?     ?   A . n 
A 1 51  GLY   51  48  ?   ?     ?   A . n 
A 1 52  GLN   52  49  ?   ?     ?   A . n 
A 1 53  GLY   53  50  ?   ?     ?   A . n 
A 1 54  GLU   54  51  51  GLU   GLU A . n 
A 1 55  PRO   55  52  52  PRO   PRO A . n 
A 1 56  ALA   56  53  53  ALA   ALA A . n 
A 1 57  ARG   57  54  54  ARG   ARG A . n 
A 1 58  VAL   58  55  55  VAL   VAL A . n 
A 1 59  ARG   59  56  56  ARG   ARG A . n 
A 1 60  CYS   60  57  57  CYS   CYS A . n 
A 1 61  SER   61  58  58  SER   SER A . n 
A 1 62  HIS   62  59  59  HIS   HIS A . n 
A 1 63  LEU   63  60  60  LEU   LEU A . n 
A 1 64  LEU   64  61  61  LEU   LEU A . n 
A 1 65  VAL   65  62  62  VAL   VAL A . n 
A 1 66  LYS   66  63  63  LYS   LYS A . n 
A 1 67  HIS   67  64  64  HIS   HIS A . n 
A 1 68  SER   68  65  65  SER   SER A . n 
A 1 69  GLN   69  66  66  GLN   GLN A . n 
A 1 70  SER   70  67  67  SER   SER A . n 
A 1 71  ARG   71  68  68  ARG   ARG A . n 
A 1 72  ARG   72  69  69  ARG   ARG A . n 
A 1 73  PRO   73  70  70  PRO   PRO A . n 
A 1 74  SER   74  71  71  SER   SER A . n 
A 1 75  SER   75  72  72  SER   SER A . n 
A 1 76  TRP   76  73  73  TRP   TRP A . n 
A 1 77  ARG   77  74  74  ARG   ARG A . n 
A 1 78  GLN   78  75  75  GLN   GLN A . n 
A 1 79  GLU   79  76  76  GLU   GLU A . n 
A 1 80  LYS   80  77  77  LYS   LYS A . n 
A 1 81  ILE   81  78  78  ILE   ILE A . n 
A 1 82  THR   82  79  79  THR   THR A . n 
A 1 83  ARG   83  80  80  ARG   ARG A . n 
A 1 84  THR   84  81  81  THR   THR A . n 
A 1 85  LYS   85  82  82  LYS   LYS A . n 
A 1 86  GLU   86  83  83  GLU   GLU A . n 
A 1 87  GLU   87  84  84  GLU   GLU A . n 
A 1 88  ALA   88  85  85  ALA   ALA A . n 
A 1 89  LEU   89  86  86  LEU   LEU A . n 
A 1 90  GLU   90  87  87  GLU   GLU A . n 
A 1 91  LEU   91  88  88  LEU   LEU A . n 
A 1 92  ILE   92  89  89  ILE   ILE A . n 
A 1 93  ASN   93  90  90  ASN   ASN A . n 
A 1 94  GLY   94  91  91  GLY   GLY A . n 
A 1 95  TYR   95  92  92  TYR   TYR A . n 
A 1 96  ILE   96  93  93  ILE   ILE A . n 
A 1 97  GLN   97  94  94  GLN   GLN A . n 
A 1 98  LYS   98  95  95  LYS   LYS A . n 
A 1 99  ILE   99  96  96  ILE   ILE A . n 
A 1 100 LYS   100 97  97  LYS   LYS A . n 
A 1 101 SER   101 98  98  SER   SER A . n 
A 1 102 GLY   102 99  99  GLY   GLY A . n 
A 1 103 GLU   103 100 100 GLU   GLU A . n 
A 1 104 GLU   104 101 101 GLU   GLU A . n 
A 1 105 ASP   105 102 102 ASP   ASP A . n 
A 1 106 PHE   106 103 103 PHE   PHE A . n 
A 1 107 GLU   107 104 104 GLU   GLU A . n 
A 1 108 SER   108 105 105 SER   SER A . n 
A 1 109 LEU   109 106 106 LEU   LEU A . n 
A 1 110 ALA   110 107 107 ALA   ALA A . n 
A 1 111 SER   111 108 108 SER   SER A . n 
A 1 112 GLN   112 109 109 GLN   GLN A . n 
A 1 113 PHE   113 110 110 PHE   PHE A . n 
A 1 114 SER   114 111 111 SER   SER A . n 
A 1 115 ASP   115 112 112 ASP   ASP A . n 
A 1 116 CYS   116 113 113 CYS   CYS A . n 
A 1 117 SER   117 114 114 SER   SER A . n 
A 1 118 SER   118 115 115 SER   SER A . n 
A 1 119 ALA   119 116 116 ALA   ALA A . n 
A 1 120 LYS   120 117 117 LYS   LYS A . n 
A 1 121 ALA   121 118 118 ALA   ALA A . n 
A 1 122 ARG   122 119 119 ARG   ARG A . n 
A 1 123 GLY   123 120 120 GLY   GLY A . n 
A 1 124 ASP   124 121 121 ASP   ASP A . n 
A 1 125 LEU   125 122 122 LEU   LEU A . n 
A 1 126 GLY   126 123 123 GLY   GLY A . n 
A 1 127 ALA   127 124 124 ALA   ALA A . n 
A 1 128 PHE   128 125 125 PHE   PHE A . n 
A 1 129 SER   129 126 126 SER   SER A . n 
A 1 130 ARG   130 127 127 ARG   ARG A . n 
A 1 131 GLY   131 128 128 GLY   GLY A . n 
A 1 132 GLN   132 129 129 GLN   GLN A . n 
A 1 133 MET   133 130 130 MET   MET A . n 
A 1 134 GLN   134 131 131 GLN   GLN A . n 
A 1 135 LYS   135 132 132 LYS   LYS A . n 
A 1 136 PRO   136 133 133 PRO   PRO A . n 
A 1 137 PHE   137 134 134 PHE   PHE A . n 
A 1 138 GLU   138 135 135 GLU   GLU A . n 
A 1 139 ASP   139 136 136 ASP   ASP A . n 
A 1 140 ALA   140 137 137 ALA   ALA A . n 
A 1 141 SER   141 138 138 SER   SER A . n 
A 1 142 PHE   142 139 139 PHE   PHE A . n 
A 1 143 ALA   143 140 140 ALA   ALA A . n 
A 1 144 LEU   144 141 141 LEU   LEU A . n 
A 1 145 ARG   145 142 142 ARG   ARG A . n 
A 1 146 THR   146 143 143 THR   THR A . n 
A 1 147 GLY   147 144 144 GLY   GLY A . n 
A 1 148 GLU   148 145 145 GLU   GLU A . n 
A 1 149 MET   149 146 146 MET   MET A . n 
A 1 150 SER   150 147 147 SER   SER A . n 
A 1 151 GLY   151 148 148 GLY   GLY A . n 
A 1 152 PRO   152 149 149 PRO   PRO A . n 
A 1 153 VAL   153 150 150 VAL   VAL A . n 
A 1 154 PHE   154 151 151 PHE   PHE A . n 
A 1 155 THR   155 152 152 THR   THR A . n 
A 1 156 ASP   156 153 153 ASP   ASP A . n 
A 1 157 SER   157 154 154 SER   SER A . n 
A 1 158 GLY   158 155 155 GLY   GLY A . n 
A 1 159 ILE   159 156 156 ILE   ILE A . n 
A 1 160 HIS   160 157 157 HIS   HIS A . n 
A 1 161 ILE   161 158 158 ILE   ILE A . n 
A 1 162 ILE   162 159 159 ILE   ILE A . n 
A 1 163 LEU   163 160 160 LEU   LEU A . n 
A 1 164 ARG   164 161 161 ARG   ARG A . n 
A 1 165 THR   165 162 162 THR   THR A . n 
A 1 166 GLU   166 163 163 GLU   GLU A . n 
B 2 1   ACE   1   1   201 ACE   INH B . n 
B 2 2   PHE   2   2   201 PHE   INH B . n 
B 2 3   YCP   3   3   201 YCP   INH B . n 
B 2 4   A1A2Y 4   4   201 A1A2Y INH B . n 
B 2 5   NH2   5   5   201 NH2   INH B . n 
# 
loop_
_pdbx_entity_instance_feature.ordinal 
_pdbx_entity_instance_feature.comp_id 
_pdbx_entity_instance_feature.asym_id 
_pdbx_entity_instance_feature.seq_num 
_pdbx_entity_instance_feature.auth_comp_id 
_pdbx_entity_instance_feature.auth_asym_id 
_pdbx_entity_instance_feature.auth_seq_num 
_pdbx_entity_instance_feature.feature_type 
_pdbx_entity_instance_feature.details 
1 A1A2Y ? ? A1A2Y ? ? 'SUBJECT OF INVESTIGATION' ? 
2 YCP   ? ? YCP   ? ? 'SUBJECT OF INVESTIGATION' ? 
3 ACE   ? ? ACE   ? ? 'SUBJECT OF INVESTIGATION' ? 
4 NH2   ? ? NH2   ? ? 'SUBJECT OF INVESTIGATION' ? 
# 
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 
C 3 SO4 1   201 1   SO4 SO4 A . 
D 3 SO4 1   202 2   SO4 SO4 A . 
E 3 SO4 1   203 4   SO4 SO4 A . 
F 3 SO4 1   204 5   SO4 SO4 A . 
G 3 SO4 1   205 7   SO4 SO4 A . 
H 4 DTT 1   206 101 DTT DTT A . 
I 5 P33 1   207 102 P33 PEG A . 
J 6 HOH 1   301 207 HOH HOH A . 
J 6 HOH 2   302 198 HOH HOH A . 
J 6 HOH 3   303 4   HOH HOH A . 
J 6 HOH 4   304 193 HOH HOH A . 
J 6 HOH 5   305 115 HOH HOH A . 
J 6 HOH 6   306 55  HOH HOH A . 
J 6 HOH 7   307 170 HOH HOH A . 
J 6 HOH 8   308 89  HOH HOH A . 
J 6 HOH 9   309 192 HOH HOH A . 
J 6 HOH 10  310 99  HOH HOH A . 
J 6 HOH 11  311 86  HOH HOH A . 
J 6 HOH 12  312 125 HOH HOH A . 
J 6 HOH 13  313 11  HOH HOH A . 
J 6 HOH 14  314 121 HOH HOH A . 
J 6 HOH 15  315 62  HOH HOH A . 
J 6 HOH 16  316 16  HOH HOH A . 
J 6 HOH 17  317 177 HOH HOH A . 
J 6 HOH 18  318 77  HOH HOH A . 
J 6 HOH 19  319 12  HOH HOH A . 
J 6 HOH 20  320 94  HOH HOH A . 
J 6 HOH 21  321 71  HOH HOH A . 
J 6 HOH 22  322 97  HOH HOH A . 
J 6 HOH 23  323 107 HOH HOH A . 
J 6 HOH 24  324 37  HOH HOH A . 
J 6 HOH 25  325 142 HOH HOH A . 
J 6 HOH 26  326 33  HOH HOH A . 
J 6 HOH 27  327 205 HOH HOH A . 
J 6 HOH 28  328 85  HOH HOH A . 
J 6 HOH 29  329 91  HOH HOH A . 
J 6 HOH 30  330 56  HOH HOH A . 
J 6 HOH 31  331 160 HOH HOH A . 
J 6 HOH 32  332 48  HOH HOH A . 
J 6 HOH 33  333 168 HOH HOH A . 
J 6 HOH 34  334 46  HOH HOH A . 
J 6 HOH 35  335 47  HOH HOH A . 
J 6 HOH 36  336 13  HOH HOH A . 
J 6 HOH 37  337 114 HOH HOH A . 
J 6 HOH 38  338 23  HOH HOH A . 
J 6 HOH 39  339 109 HOH HOH A . 
J 6 HOH 40  340 36  HOH HOH A . 
J 6 HOH 41  341 15  HOH HOH A . 
J 6 HOH 42  342 195 HOH HOH A . 
J 6 HOH 43  343 57  HOH HOH A . 
J 6 HOH 44  344 175 HOH HOH A . 
J 6 HOH 45  345 2   HOH HOH A . 
J 6 HOH 46  346 74  HOH HOH A . 
J 6 HOH 47  347 176 HOH HOH A . 
J 6 HOH 48  348 79  HOH HOH A . 
J 6 HOH 49  349 103 HOH HOH A . 
J 6 HOH 50  350 151 HOH HOH A . 
J 6 HOH 51  351 134 HOH HOH A . 
J 6 HOH 52  352 17  HOH HOH A . 
J 6 HOH 53  353 60  HOH HOH A . 
J 6 HOH 54  354 111 HOH HOH A . 
J 6 HOH 55  355 139 HOH HOH A . 
J 6 HOH 56  356 172 HOH HOH A . 
J 6 HOH 57  357 10  HOH HOH A . 
J 6 HOH 58  358 21  HOH HOH A . 
J 6 HOH 59  359 58  HOH HOH A . 
J 6 HOH 60  360 155 HOH HOH A . 
J 6 HOH 61  361 141 HOH HOH A . 
J 6 HOH 62  362 20  HOH HOH A . 
J 6 HOH 63  363 202 HOH HOH A . 
J 6 HOH 64  364 180 HOH HOH A . 
J 6 HOH 65  365 96  HOH HOH A . 
J 6 HOH 66  366 25  HOH HOH A . 
J 6 HOH 67  367 105 HOH HOH A . 
J 6 HOH 68  368 88  HOH HOH A . 
J 6 HOH 69  369 34  HOH HOH A . 
J 6 HOH 70  370 14  HOH HOH A . 
J 6 HOH 71  371 188 HOH HOH A . 
J 6 HOH 72  372 95  HOH HOH A . 
J 6 HOH 73  373 90  HOH HOH A . 
J 6 HOH 74  374 174 HOH HOH A . 
J 6 HOH 75  375 98  HOH HOH A . 
J 6 HOH 76  376 6   HOH HOH A . 
J 6 HOH 77  377 171 HOH HOH A . 
J 6 HOH 78  378 28  HOH HOH A . 
J 6 HOH 79  379 204 HOH HOH A . 
J 6 HOH 80  380 66  HOH HOH A . 
J 6 HOH 81  381 18  HOH HOH A . 
J 6 HOH 82  382 61  HOH HOH A . 
J 6 HOH 83  383 1   HOH HOH A . 
J 6 HOH 84  384 7   HOH HOH A . 
J 6 HOH 85  385 145 HOH HOH A . 
J 6 HOH 86  386 209 HOH HOH A . 
J 6 HOH 87  387 68  HOH HOH A . 
J 6 HOH 88  388 212 HOH HOH A . 
J 6 HOH 89  389 102 HOH HOH A . 
J 6 HOH 90  390 213 HOH HOH A . 
J 6 HOH 91  391 51  HOH HOH A . 
J 6 HOH 92  392 164 HOH HOH A . 
J 6 HOH 93  393 73  HOH HOH A . 
J 6 HOH 94  394 32  HOH HOH A . 
J 6 HOH 95  395 29  HOH HOH A . 
J 6 HOH 96  396 116 HOH HOH A . 
J 6 HOH 97  397 161 HOH HOH A . 
J 6 HOH 98  398 154 HOH HOH A . 
J 6 HOH 99  399 165 HOH HOH A . 
J 6 HOH 100 400 104 HOH HOH A . 
J 6 HOH 101 401 100 HOH HOH A . 
J 6 HOH 102 402 110 HOH HOH A . 
J 6 HOH 103 403 149 HOH HOH A . 
J 6 HOH 104 404 156 HOH HOH A . 
J 6 HOH 105 405 52  HOH HOH A . 
J 6 HOH 106 406 206 HOH HOH A . 
J 6 HOH 107 407 194 HOH HOH A . 
J 6 HOH 108 408 138 HOH HOH A . 
J 6 HOH 109 409 179 HOH HOH A . 
J 6 HOH 110 410 64  HOH HOH A . 
J 6 HOH 111 411 130 HOH HOH A . 
J 6 HOH 112 412 124 HOH HOH A . 
J 6 HOH 113 413 9   HOH HOH A . 
J 6 HOH 114 414 22  HOH HOH A . 
J 6 HOH 115 415 53  HOH HOH A . 
J 6 HOH 116 416 137 HOH HOH A . 
J 6 HOH 117 417 152 HOH HOH A . 
J 6 HOH 118 418 35  HOH HOH A . 
J 6 HOH 119 419 148 HOH HOH A . 
J 6 HOH 120 420 191 HOH HOH A . 
J 6 HOH 121 421 182 HOH HOH A . 
J 6 HOH 122 422 169 HOH HOH A . 
J 6 HOH 123 423 203 HOH HOH A . 
J 6 HOH 124 424 49  HOH HOH A . 
J 6 HOH 125 425 76  HOH HOH A . 
J 6 HOH 126 426 183 HOH HOH A . 
J 6 HOH 127 427 8   HOH HOH A . 
J 6 HOH 128 428 211 HOH HOH A . 
J 6 HOH 129 429 65  HOH HOH A . 
J 6 HOH 130 430 78  HOH HOH A . 
J 6 HOH 131 431 197 HOH HOH A . 
J 6 HOH 132 432 123 HOH HOH A . 
J 6 HOH 133 433 210 HOH HOH A . 
J 6 HOH 134 434 153 HOH HOH A . 
J 6 HOH 135 435 196 HOH HOH A . 
J 6 HOH 136 436 162 HOH HOH A . 
J 6 HOH 137 437 44  HOH HOH A . 
J 6 HOH 138 438 101 HOH HOH A . 
J 6 HOH 139 439 190 HOH HOH A . 
J 6 HOH 140 440 146 HOH HOH A . 
J 6 HOH 141 441 45  HOH HOH A . 
J 6 HOH 142 442 112 HOH HOH A . 
J 6 HOH 143 443 108 HOH HOH A . 
J 6 HOH 144 444 75  HOH HOH A . 
J 6 HOH 145 445 106 HOH HOH A . 
J 6 HOH 146 446 59  HOH HOH A . 
J 6 HOH 147 447 199 HOH HOH A . 
J 6 HOH 148 448 5   HOH HOH A . 
J 6 HOH 149 449 185 HOH HOH A . 
J 6 HOH 150 450 178 HOH HOH A . 
J 6 HOH 151 451 143 HOH HOH A . 
J 6 HOH 152 452 136 HOH HOH A . 
J 6 HOH 153 453 184 HOH HOH A . 
J 6 HOH 154 454 144 HOH HOH A . 
K 6 HOH 1   101 70  HOH HOH B . 
K 6 HOH 2   102 67  HOH HOH B . 
K 6 HOH 3   103 167 HOH HOH B . 
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement        ? ? ? ? ? ? ? ? ? ? ? PHENIX  ? ? ? 1.20.1_4487 1 
? 'data collection' ? ? ? ? ? ? ? ? ? ? ? BOS     ? ? ? .           2 
? 'data reduction'  ? ? ? ? ? ? ? ? ? ? ? XDS     ? ? ? .           3 
? 'data scaling'    ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .           4 
? phasing           ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .           5 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  120.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8VJE 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     69.107 
_cell.length_a_esd                 ? 
_cell.length_b                     69.107 
_cell.length_b_esd                 ? 
_cell.length_c                     79.030 
_cell.length_c_esd                 ? 
_cell.volume                       326867.470 
_cell.volume_esd                   ? 
_cell.Z_PDB                        6 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         8VJE 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                152 
_symmetry.space_group_name_Hall            
;P 31 2"
;
_symmetry.space_group_name_H-M             'P 31 2 1' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8VJE 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.68 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          54.04 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    'HEPES-NaOH, BisTris, PEG400, TCEP' 
_exptl_crystal_grow.pdbx_pH_range   '7.1 - 7.2' 
_exptl_crystal_grow.temp            277 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS PILATUS3 S 2M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2023-11-03 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9765 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ALS BEAMLINE 5.0.3' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9765 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   5.0.3 
_diffrn_source.pdbx_synchrotron_site       ALS 
# 
_reflns.B_iso_Wilson_estimate                          27.63 
_reflns.entry_id                                       8VJE 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.70 
_reflns.d_resolution_low                               47.71 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     24551 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           100 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                9.7 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          30.7 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                ? 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1.000 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.048 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.70 
_reflns_shell.d_res_low                                     1.73 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.2 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1304 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               ? 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.770 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  1.026 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               35.63 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.details                                  ? 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8VJE 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.70 
_refine.ls_d_res_low                             47.71 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     24514 
_refine.ls_number_reflns_R_free                  1232 
_refine.ls_number_reflns_R_work                  23282 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.96 
_refine.ls_percent_reflns_R_free                 5.03 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.1999 
_refine.ls_R_factor_R_free                       0.2266 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1985 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          1.35 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.pdbx_solvent_vdw_probe_radii             1.1000 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 25.3777 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             ? 
_refine.overall_SU_ML                            0.2487 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.70 
_refine_hist.d_res_low                        47.71 
_refine_hist.number_atoms_solvent             157 
_refine_hist.number_atoms_total               1406 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1155 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         94 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.0074  ? 1291 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 1.0165  ? 1729 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0538  ? 169  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0068  ? 219  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 16.1686 ? 489  ? f_dihedral_angle_d ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.70 1.77  . . 133 2565 99.96  . . . . 0.3014 . . . . . . . . . . . 0.2957 
'X-RAY DIFFRACTION' 1.77 1.85  . . 136 2538 100.00 . . . . 0.2433 . . . . . . . . . . . 0.3316 
'X-RAY DIFFRACTION' 1.85 1.95  . . 137 2566 99.93  . . . . 0.2171 . . . . . . . . . . . 0.2778 
'X-RAY DIFFRACTION' 1.95 2.07  . . 135 2546 99.96  . . . . 0.2013 . . . . . . . . . . . 0.2332 
'X-RAY DIFFRACTION' 2.07 2.23  . . 136 2564 100.00 . . . . 0.2078 . . . . . . . . . . . 0.2589 
'X-RAY DIFFRACTION' 2.23 2.45  . . 136 2568 100.00 . . . . 0.2113 . . . . . . . . . . . 0.2205 
'X-RAY DIFFRACTION' 2.45 2.81  . . 139 2588 100.00 . . . . 0.2162 . . . . . . . . . . . 0.2356 
'X-RAY DIFFRACTION' 2.81 3.54  . . 139 2613 100.00 . . . . 0.2010 . . . . . . . . . . . 0.2158 
'X-RAY DIFFRACTION' 3.54 47.71 . . 141 2734 99.83  . . . . 0.1715 . . . . . . . . . . . 0.2023 
# 
_struct.entry_id                     8VJE 
_struct.title                        'Human R14A Pin1 covalently bound to inhibitor 158F10' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        8VJE 
_struct_keywords.text            
'Destabilizing Inhibitor, PPIase. Structure-Activity Relationship, Drug Design, ISOMERASE, ISOMERASE-INHIBITOR complex' 
_struct_keywords.pdbx_keywords   ISOMERASE/INHIBITOR 
# 
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 3 ? 
E N N 3 ? 
F N N 3 ? 
G N N 3 ? 
H N N 4 ? 
I N N 5 ? 
J N N 6 ? 
K N N 6 ? 
# 
loop_
_struct_ref.id 
_struct_ref.db_name 
_struct_ref.db_code 
_struct_ref.pdbx_db_accession 
_struct_ref.pdbx_db_isoform 
_struct_ref.entity_id 
_struct_ref.pdbx_seq_one_letter_code 
_struct_ref.pdbx_align_begin 
1 UNP PIN1_HUMAN Q13526 ? 1 
;MADEEKLPPGWEKRMSRSSGRVYYFNHITNASQWERPSGNSSSGGKNGQGEPARVRCSHLLVKHSQSRRPSSWRQEKITR
TKEEALELINGYIQKIKSGEEDFESLASQFSDCSSAKARGDLGAFSRGQMQKPFEDASFALRTGEMSGPVFTDSGIHIIL
RTE
;
1 
2 PDB 8VJE       8VJE   ? 2 ? 1 
# 
loop_
_struct_ref_seq.align_id 
_struct_ref_seq.ref_id 
_struct_ref_seq.pdbx_PDB_id_code 
_struct_ref_seq.pdbx_strand_id 
_struct_ref_seq.seq_align_beg 
_struct_ref_seq.pdbx_seq_align_beg_ins_code 
_struct_ref_seq.seq_align_end 
_struct_ref_seq.pdbx_seq_align_end_ins_code 
_struct_ref_seq.pdbx_db_accession 
_struct_ref_seq.db_align_beg 
_struct_ref_seq.pdbx_db_align_beg_ins_code 
_struct_ref_seq.db_align_end 
_struct_ref_seq.pdbx_db_align_end_ins_code 
_struct_ref_seq.pdbx_auth_seq_align_beg 
_struct_ref_seq.pdbx_auth_seq_align_end 
1 1 8VJE A 4 ? 166 ? Q13526 1 ? 163 ? 1 163 
2 2 8VJE B 1 ? 5   ? 8VJE   1 ? 5   ? 1 5   
# 
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 8VJE GLY A 1  ? UNP Q13526 ?   ?  'expression tag'      -2 1 
1 8VJE SER A 2  ? UNP Q13526 ?   ?  'expression tag'      -1 2 
1 8VJE HIS A 3  ? UNP Q13526 ?   ?  'expression tag'      0  3 
1 8VJE ALA A 17 ? UNP Q13526 ARG 14 'engineered mutation' 14 4 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   dimeric 
_pdbx_struct_assembly.oligomeric_count     2 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 2340 ? 
1 MORE         -76  ? 
1 'SSA (A^2)'  8620 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J,K 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_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 THR A 84  ? SER A 101 ? THR A 81  SER A 98  1 ? 18 
HELX_P HELX_P2 AA2 ASP A 105 ? SER A 114 ? ASP A 102 SER A 111 1 ? 10 
HELX_P HELX_P3 AA3 CYS A 116 ? ARG A 122 ? CYS A 113 ARG A 119 5 ? 7  
HELX_P HELX_P4 AA4 GLN A 134 ? LEU A 144 ? GLN A 131 LEU A 141 1 ? 11 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
covale1 covale none ? A CYS   116 SG ? ? ? 1_555 B ACE   1 CH3 ? ? A CYS   113 B ACE   1 1_555 ? ? ? ? ? ? ? 1.750 ? ? 
covale2 covale both ? B ACE   1   C  ? ? ? 1_555 B PHE   2 N   ? ? B ACE   1   B PHE   2 1_555 ? ? ? ? ? ? ? 1.439 ? ? 
covale3 covale both ? B PHE   2   C  ? ? ? 1_555 B YCP   3 N   ? ? B PHE   2   B YCP   3 1_555 ? ? ? ? ? ? ? 1.434 ? ? 
covale4 covale both ? B YCP   3   C  ? ? ? 1_555 B A1A2Y 4 N   ? ? B YCP   3   B A1A2Y 4 1_555 ? ? ? ? ? ? ? 1.446 ? ? 
covale5 covale both ? B A1A2Y 4   C  ? ? ? 1_555 B NH2   5 N   ? ? B A1A2Y 4   B NH2   5 1_555 ? ? ? ? ? ? ? 1.453 ? ? 
# 
_struct_conn_type.id          covale 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 A1A2Y B 4   ? .     . . . A1A2Y B 4   ? 1_555 .     . . . .     .  .   TRP   1  A1A2Y Methoxylation 'Named protein modification' 
2 YCP   B 3   ? .     . . . YCP   B 3   ? 1_555 .     . . . .     .  .   ?     1  YCP   None          'Non-standard residue'       
3 ACE   B 1   ? PHE   B 2 ? ACE   B 1   ? 1_555 PHE   B 2 ? 1_555 .  .   PHE   15 ACE   None          'Terminal acetylation'       
4 NH2   B 5   ? A1A2Y B 4 ? NH2   B 5   ? 1_555 A1A2Y B 4 ? 1_555 .  .   A1A2Y 42 NH2   None          'Terminal amidation'         
5 CYS   A 116 ? ACE   B 1 ? CYS   A 113 ? 1_555 ACE   B 1 ? 1_555 SG CH3 .     .  .     None          'Non-standard linkage'       
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 3 ? 
AA2 ? 4 ? 
# 
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 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? 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 TRP A 14  ? MET A 18  ? TRP A 11  MET A 15  
AA1 2 VAL A 25  ? ASN A 29  ? VAL A 22  ASN A 26  
AA1 3 SER A 35  ? GLN A 36  ? SER A 32  GLN A 33  
AA2 1 ASP A 124 ? SER A 129 ? ASP A 121 SER A 126 
AA2 2 ARG A 57  ? VAL A 65  ? ARG A 54  VAL A 62  
AA2 3 GLY A 158 ? ARG A 164 ? GLY A 155 ARG A 161 
AA2 4 VAL A 153 ? THR A 155 ? VAL A 150 THR A 152 
# 
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 ALA A 17  ? N ALA A 14  O TYR A 26  ? O TYR A 23  
AA1 2 3 N TYR A 27  ? N TYR A 24  O GLN A 36  ? O GLN A 33  
AA2 1 2 O LEU A 125 ? O LEU A 122 N CYS A 60  ? N CYS A 57  
AA2 2 3 N SER A 61  ? N SER A 58  O LEU A 163 ? O LEU A 160 
AA2 3 4 O HIS A 160 ? O HIS A 157 N VAL A 153 ? N VAL A 150 
# 
_pdbx_entry_details.entry_id                   8VJE 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    YCP 
_pdbx_validate_torsion.auth_asym_id    B 
_pdbx_validate_torsion.auth_seq_id     3 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             -102.74 
_pdbx_validate_torsion.psi             58.14 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z          
2 -y,x-y,z+1/3   
3 -x+y,-x,z+2/3  
4 x-y,-y,-z+2/3  
5 -x,-x+y,-z+1/3 
6 y,x,-z         
# 
_pdbx_refine_tls.id               1 
_pdbx_refine_tls.pdbx_refine_id   'X-RAY DIFFRACTION' 
_pdbx_refine_tls.details          ? 
_pdbx_refine_tls.method           refined 
_pdbx_refine_tls.origin_x         29.6580095525 
_pdbx_refine_tls.origin_y         -22.1728230748 
_pdbx_refine_tls.origin_z         11.746145818 
_pdbx_refine_tls.T[1][1]          0.177286722085 
_pdbx_refine_tls.T[1][1]_esd      ? 
_pdbx_refine_tls.T[1][2]          -0.0740509302469 
_pdbx_refine_tls.T[1][2]_esd      ? 
_pdbx_refine_tls.T[1][3]          0.0228282103598 
_pdbx_refine_tls.T[1][3]_esd      ? 
_pdbx_refine_tls.T[2][2]          0.194995086061 
_pdbx_refine_tls.T[2][2]_esd      ? 
_pdbx_refine_tls.T[2][3]          -0.0185331129427 
_pdbx_refine_tls.T[2][3]_esd      ? 
_pdbx_refine_tls.T[3][3]          0.170769579392 
_pdbx_refine_tls.T[3][3]_esd      ? 
_pdbx_refine_tls.L[1][1]          2.35870286263 
_pdbx_refine_tls.L[1][1]_esd      ? 
_pdbx_refine_tls.L[1][2]          -0.364313133861 
_pdbx_refine_tls.L[1][2]_esd      ? 
_pdbx_refine_tls.L[1][3]          0.730000666229 
_pdbx_refine_tls.L[1][3]_esd      ? 
_pdbx_refine_tls.L[2][2]          1.51784965169 
_pdbx_refine_tls.L[2][2]_esd      ? 
_pdbx_refine_tls.L[2][3]          -0.368437535964 
_pdbx_refine_tls.L[2][3]_esd      ? 
_pdbx_refine_tls.L[3][3]          2.9619069177 
_pdbx_refine_tls.L[3][3]_esd      ? 
_pdbx_refine_tls.S[1][1]          -0.0286431152495 
_pdbx_refine_tls.S[1][1]_esd      ? 
_pdbx_refine_tls.S[1][2]          0.120267971681 
_pdbx_refine_tls.S[1][2]_esd      ? 
_pdbx_refine_tls.S[1][3]          0.0117459475589 
_pdbx_refine_tls.S[1][3]_esd      ? 
_pdbx_refine_tls.S[2][1]          -0.0432298428617 
_pdbx_refine_tls.S[2][1]_esd      ? 
_pdbx_refine_tls.S[2][2]          0.0769739233196 
_pdbx_refine_tls.S[2][2]_esd      ? 
_pdbx_refine_tls.S[2][3]          -0.00504023915348 
_pdbx_refine_tls.S[2][3]_esd      ? 
_pdbx_refine_tls.S[3][1]          -0.175873186889 
_pdbx_refine_tls.S[3][1]_esd      ? 
_pdbx_refine_tls.S[3][2]          0.229628214047 
_pdbx_refine_tls.S[3][2]_esd      ? 
_pdbx_refine_tls.S[3][3]          -0.0470878159466 
_pdbx_refine_tls.S[3][3]_esd      ? 
# 
_pdbx_refine_tls_group.id                  1 
_pdbx_refine_tls_group.pdbx_refine_id      'X-RAY DIFFRACTION' 
_pdbx_refine_tls_group.refine_tls_id       1 
_pdbx_refine_tls_group.beg_label_asym_id   A 
_pdbx_refine_tls_group.beg_label_seq_id    1 
_pdbx_refine_tls_group.beg_auth_asym_id    A 
_pdbx_refine_tls_group.beg_auth_seq_id     7 
_pdbx_refine_tls_group.beg_PDB_ins_code    ? 
_pdbx_refine_tls_group.end_label_asym_id   J 
_pdbx_refine_tls_group.end_label_seq_id    ? 
_pdbx_refine_tls_group.end_auth_asym_id    A 
_pdbx_refine_tls_group.end_auth_seq_id     102 
_pdbx_refine_tls_group.end_PDB_ins_code    ? 
_pdbx_refine_tls_group.selection           ? 
_pdbx_refine_tls_group.selection_details   all 
# 
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 A GLY -2 ? A GLY 1  
2  1 Y 1 A SER -1 ? A SER 2  
3  1 Y 1 A HIS 0  ? A HIS 3  
4  1 Y 1 A MET 1  ? A MET 4  
5  1 Y 1 A ALA 2  ? A ALA 5  
6  1 Y 1 A ASP 3  ? A ASP 6  
7  1 Y 1 A GLU 4  ? A GLU 7  
8  1 Y 1 A GLU 5  ? A GLU 8  
9  1 Y 1 A LYS 6  ? A LYS 9  
10 1 Y 1 A GLY 39 ? A GLY 42 
11 1 Y 1 A ASN 40 ? A ASN 43 
12 1 Y 1 A SER 41 ? A SER 44 
13 1 Y 1 A SER 42 ? A SER 45 
14 1 Y 1 A SER 43 ? A SER 46 
15 1 Y 1 A GLY 44 ? A GLY 47 
16 1 Y 1 A GLY 45 ? A GLY 48 
17 1 Y 1 A LYS 46 ? A LYS 49 
18 1 Y 1 A ASN 47 ? A ASN 50 
19 1 Y 1 A GLY 48 ? A GLY 51 
20 1 Y 1 A GLN 49 ? A GLN 52 
21 1 Y 1 A GLY 50 ? A GLY 53 
# 
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 
A1A2Y N    N N N 1   
A1A2Y CA   C N S 2   
A1A2Y C    C N N 3   
A1A2Y CB   C N N 4   
A1A2Y CG   C Y N 5   
A1A2Y CD1  C Y N 6   
A1A2Y CE2  C Y N 7   
A1A2Y CD2  C Y N 8   
A1A2Y CE3  C Y N 9   
A1A2Y CZ3  C Y N 10  
A1A2Y O23  O N N 11  
A1A2Y C24  C N N 12  
A1A2Y CZ2  C Y N 13  
A1A2Y NE1  N Y N 14  
A1A2Y CH2  C Y N 15  
A1A2Y O    O N N 16  
A1A2Y H    H N N 17  
A1A2Y H2   H N N 18  
A1A2Y HA   H N N 19  
A1A2Y HXT  H N N 20  
A1A2Y HB2  H N N 21  
A1A2Y HB3  H N N 22  
A1A2Y HD1  H N N 23  
A1A2Y HE3  H N N 24  
A1A2Y H10  H N N 25  
A1A2Y H11  H N N 26  
A1A2Y H12  H N N 27  
A1A2Y HZ2  H N N 28  
A1A2Y HE1  H N N 29  
A1A2Y HH2  H N N 30  
A1A2Y OXT  O N N 31  
ACE   C    C N N 32  
ACE   O    O N N 33  
ACE   CH3  C N N 34  
ACE   H    H N N 35  
ACE   H1   H N N 36  
ACE   H2   H N N 37  
ACE   H3   H N N 38  
ALA   N    N N N 39  
ALA   CA   C N S 40  
ALA   C    C N N 41  
ALA   O    O N N 42  
ALA   CB   C N N 43  
ALA   OXT  O N N 44  
ALA   H    H N N 45  
ALA   H2   H N N 46  
ALA   HA   H N N 47  
ALA   HB1  H N N 48  
ALA   HB2  H N N 49  
ALA   HB3  H N N 50  
ALA   HXT  H N N 51  
ARG   N    N N N 52  
ARG   CA   C N S 53  
ARG   C    C N N 54  
ARG   O    O N N 55  
ARG   CB   C N N 56  
ARG   CG   C N N 57  
ARG   CD   C N N 58  
ARG   NE   N N N 59  
ARG   CZ   C N N 60  
ARG   NH1  N N N 61  
ARG   NH2  N N N 62  
ARG   OXT  O N N 63  
ARG   H    H N N 64  
ARG   H2   H N N 65  
ARG   HA   H N N 66  
ARG   HB2  H N N 67  
ARG   HB3  H N N 68  
ARG   HG2  H N N 69  
ARG   HG3  H N N 70  
ARG   HD2  H N N 71  
ARG   HD3  H N N 72  
ARG   HE   H N N 73  
ARG   HH11 H N N 74  
ARG   HH12 H N N 75  
ARG   HH21 H N N 76  
ARG   HH22 H N N 77  
ARG   HXT  H N N 78  
ASN   N    N N N 79  
ASN   CA   C N S 80  
ASN   C    C N N 81  
ASN   O    O N N 82  
ASN   CB   C N N 83  
ASN   CG   C N N 84  
ASN   OD1  O N N 85  
ASN   ND2  N N N 86  
ASN   OXT  O N N 87  
ASN   H    H N N 88  
ASN   H2   H N N 89  
ASN   HA   H N N 90  
ASN   HB2  H N N 91  
ASN   HB3  H N N 92  
ASN   HD21 H N N 93  
ASN   HD22 H N N 94  
ASN   HXT  H N N 95  
ASP   N    N N N 96  
ASP   CA   C N S 97  
ASP   C    C N N 98  
ASP   O    O N N 99  
ASP   CB   C N N 100 
ASP   CG   C N N 101 
ASP   OD1  O N N 102 
ASP   OD2  O N N 103 
ASP   OXT  O N N 104 
ASP   H    H N N 105 
ASP   H2   H N N 106 
ASP   HA   H N N 107 
ASP   HB2  H N N 108 
ASP   HB3  H N N 109 
ASP   HD2  H N N 110 
ASP   HXT  H N N 111 
CYS   N    N N N 112 
CYS   CA   C N R 113 
CYS   C    C N N 114 
CYS   O    O N N 115 
CYS   CB   C N N 116 
CYS   SG   S N N 117 
CYS   OXT  O N N 118 
CYS   H    H N N 119 
CYS   H2   H N N 120 
CYS   HA   H N N 121 
CYS   HB2  H N N 122 
CYS   HB3  H N N 123 
CYS   HG   H N N 124 
CYS   HXT  H N N 125 
DTT   S1   S N N 126 
DTT   C1   C N N 127 
DTT   C2   C N R 128 
DTT   O2   O N N 129 
DTT   C3   C N R 130 
DTT   O3   O N N 131 
DTT   C4   C N N 132 
DTT   S4   S N N 133 
DTT   HS1  H N N 134 
DTT   H11  H N N 135 
DTT   H12  H N N 136 
DTT   H2   H N N 137 
DTT   HO2  H N N 138 
DTT   H3   H N N 139 
DTT   HO3  H N N 140 
DTT   H41  H N N 141 
DTT   H42  H N N 142 
DTT   HS2  H N N 143 
GLN   N    N N N 144 
GLN   CA   C N S 145 
GLN   C    C N N 146 
GLN   O    O N N 147 
GLN   CB   C N N 148 
GLN   CG   C N N 149 
GLN   CD   C N N 150 
GLN   OE1  O N N 151 
GLN   NE2  N N N 152 
GLN   OXT  O N N 153 
GLN   H    H N N 154 
GLN   H2   H N N 155 
GLN   HA   H N N 156 
GLN   HB2  H N N 157 
GLN   HB3  H N N 158 
GLN   HG2  H N N 159 
GLN   HG3  H N N 160 
GLN   HE21 H N N 161 
GLN   HE22 H N N 162 
GLN   HXT  H N N 163 
GLU   N    N N N 164 
GLU   CA   C N S 165 
GLU   C    C N N 166 
GLU   O    O N N 167 
GLU   CB   C N N 168 
GLU   CG   C N N 169 
GLU   CD   C N N 170 
GLU   OE1  O N N 171 
GLU   OE2  O N N 172 
GLU   OXT  O N N 173 
GLU   H    H N N 174 
GLU   H2   H N N 175 
GLU   HA   H N N 176 
GLU   HB2  H N N 177 
GLU   HB3  H N N 178 
GLU   HG2  H N N 179 
GLU   HG3  H N N 180 
GLU   HE2  H N N 181 
GLU   HXT  H N N 182 
GLY   N    N N N 183 
GLY   CA   C N N 184 
GLY   C    C N N 185 
GLY   O    O N N 186 
GLY   OXT  O N N 187 
GLY   H    H N N 188 
GLY   H2   H N N 189 
GLY   HA2  H N N 190 
GLY   HA3  H N N 191 
GLY   HXT  H N N 192 
HIS   N    N N N 193 
HIS   CA   C N S 194 
HIS   C    C N N 195 
HIS   O    O N N 196 
HIS   CB   C N N 197 
HIS   CG   C Y N 198 
HIS   ND1  N Y N 199 
HIS   CD2  C Y N 200 
HIS   CE1  C Y N 201 
HIS   NE2  N Y N 202 
HIS   OXT  O N N 203 
HIS   H    H N N 204 
HIS   H2   H N N 205 
HIS   HA   H N N 206 
HIS   HB2  H N N 207 
HIS   HB3  H N N 208 
HIS   HD1  H N N 209 
HIS   HD2  H N N 210 
HIS   HE1  H N N 211 
HIS   HE2  H N N 212 
HIS   HXT  H N N 213 
HOH   O    O N N 214 
HOH   H1   H N N 215 
HOH   H2   H N N 216 
ILE   N    N N N 217 
ILE   CA   C N S 218 
ILE   C    C N N 219 
ILE   O    O N N 220 
ILE   CB   C N S 221 
ILE   CG1  C N N 222 
ILE   CG2  C N N 223 
ILE   CD1  C N N 224 
ILE   OXT  O N N 225 
ILE   H    H N N 226 
ILE   H2   H N N 227 
ILE   HA   H N N 228 
ILE   HB   H N N 229 
ILE   HG12 H N N 230 
ILE   HG13 H N N 231 
ILE   HG21 H N N 232 
ILE   HG22 H N N 233 
ILE   HG23 H N N 234 
ILE   HD11 H N N 235 
ILE   HD12 H N N 236 
ILE   HD13 H N N 237 
ILE   HXT  H N N 238 
LEU   N    N N N 239 
LEU   CA   C N S 240 
LEU   C    C N N 241 
LEU   O    O N N 242 
LEU   CB   C N N 243 
LEU   CG   C N N 244 
LEU   CD1  C N N 245 
LEU   CD2  C N N 246 
LEU   OXT  O N N 247 
LEU   H    H N N 248 
LEU   H2   H N N 249 
LEU   HA   H N N 250 
LEU   HB2  H N N 251 
LEU   HB3  H N N 252 
LEU   HG   H N N 253 
LEU   HD11 H N N 254 
LEU   HD12 H N N 255 
LEU   HD13 H N N 256 
LEU   HD21 H N N 257 
LEU   HD22 H N N 258 
LEU   HD23 H N N 259 
LEU   HXT  H N N 260 
LYS   N    N N N 261 
LYS   CA   C N S 262 
LYS   C    C N N 263 
LYS   O    O N N 264 
LYS   CB   C N N 265 
LYS   CG   C N N 266 
LYS   CD   C N N 267 
LYS   CE   C N N 268 
LYS   NZ   N N N 269 
LYS   OXT  O N N 270 
LYS   H    H N N 271 
LYS   H2   H N N 272 
LYS   HA   H N N 273 
LYS   HB2  H N N 274 
LYS   HB3  H N N 275 
LYS   HG2  H N N 276 
LYS   HG3  H N N 277 
LYS   HD2  H N N 278 
LYS   HD3  H N N 279 
LYS   HE2  H N N 280 
LYS   HE3  H N N 281 
LYS   HZ1  H N N 282 
LYS   HZ2  H N N 283 
LYS   HZ3  H N N 284 
LYS   HXT  H N N 285 
MET   N    N N N 286 
MET   CA   C N S 287 
MET   C    C N N 288 
MET   O    O N N 289 
MET   CB   C N N 290 
MET   CG   C N N 291 
MET   SD   S N N 292 
MET   CE   C N N 293 
MET   OXT  O N N 294 
MET   H    H N N 295 
MET   H2   H N N 296 
MET   HA   H N N 297 
MET   HB2  H N N 298 
MET   HB3  H N N 299 
MET   HG2  H N N 300 
MET   HG3  H N N 301 
MET   HE1  H N N 302 
MET   HE2  H N N 303 
MET   HE3  H N N 304 
MET   HXT  H N N 305 
NH2   N    N N N 306 
NH2   HN1  H N N 307 
NH2   HN2  H N N 308 
P33   O22  O N N 309 
P33   C21  C N N 310 
P33   C20  C N N 311 
P33   O19  O N N 312 
P33   C18  C N N 313 
P33   C17  C N N 314 
P33   O16  O N N 315 
P33   C15  C N N 316 
P33   C14  C N N 317 
P33   O13  O N N 318 
P33   C12  C N N 319 
P33   C11  C N N 320 
P33   O10  O N N 321 
P33   C9   C N N 322 
P33   C8   C N N 323 
P33   O7   O N N 324 
P33   C6   C N N 325 
P33   C5   C N N 326 
P33   O4   O N N 327 
P33   C3   C N N 328 
P33   C2   C N N 329 
P33   O1   O N N 330 
P33   H22  H N N 331 
P33   H211 H N N 332 
P33   H212 H N N 333 
P33   H201 H N N 334 
P33   H202 H N N 335 
P33   H181 H N N 336 
P33   H182 H N N 337 
P33   H171 H N N 338 
P33   H172 H N N 339 
P33   H151 H N N 340 
P33   H152 H N N 341 
P33   H141 H N N 342 
P33   H142 H N N 343 
P33   H121 H N N 344 
P33   H122 H N N 345 
P33   H111 H N N 346 
P33   H112 H N N 347 
P33   H91  H N N 348 
P33   H92  H N N 349 
P33   H81  H N N 350 
P33   H82  H N N 351 
P33   H61  H N N 352 
P33   H62  H N N 353 
P33   H51  H N N 354 
P33   H52  H N N 355 
P33   H31  H N N 356 
P33   H32  H N N 357 
P33   H21  H N N 358 
P33   H22A H N N 359 
P33   HO1  H N N 360 
PHE   N    N N N 361 
PHE   CA   C N S 362 
PHE   C    C N N 363 
PHE   O    O N N 364 
PHE   CB   C N N 365 
PHE   CG   C Y N 366 
PHE   CD1  C Y N 367 
PHE   CD2  C Y N 368 
PHE   CE1  C Y N 369 
PHE   CE2  C Y N 370 
PHE   CZ   C Y N 371 
PHE   OXT  O N N 372 
PHE   H    H N N 373 
PHE   H2   H N N 374 
PHE   HA   H N N 375 
PHE   HB2  H N N 376 
PHE   HB3  H N N 377 
PHE   HD1  H N N 378 
PHE   HD2  H N N 379 
PHE   HE1  H N N 380 
PHE   HE2  H N N 381 
PHE   HZ   H N N 382 
PHE   HXT  H N N 383 
PRO   N    N N N 384 
PRO   CA   C N S 385 
PRO   C    C N N 386 
PRO   O    O N N 387 
PRO   CB   C N N 388 
PRO   CG   C N N 389 
PRO   CD   C N N 390 
PRO   OXT  O N N 391 
PRO   H    H N N 392 
PRO   HA   H N N 393 
PRO   HB2  H N N 394 
PRO   HB3  H N N 395 
PRO   HG2  H N N 396 
PRO   HG3  H N N 397 
PRO   HD2  H N N 398 
PRO   HD3  H N N 399 
PRO   HXT  H N N 400 
SER   N    N N N 401 
SER   CA   C N S 402 
SER   C    C N N 403 
SER   O    O N N 404 
SER   CB   C N N 405 
SER   OG   O N N 406 
SER   OXT  O N N 407 
SER   H    H N N 408 
SER   H2   H N N 409 
SER   HA   H N N 410 
SER   HB2  H N N 411 
SER   HB3  H N N 412 
SER   HG   H N N 413 
SER   HXT  H N N 414 
SO4   S    S N N 415 
SO4   O1   O N N 416 
SO4   O2   O N N 417 
SO4   O3   O N N 418 
SO4   O4   O N N 419 
THR   N    N N N 420 
THR   CA   C N S 421 
THR   C    C N N 422 
THR   O    O N N 423 
THR   CB   C N R 424 
THR   OG1  O N N 425 
THR   CG2  C N N 426 
THR   OXT  O N N 427 
THR   H    H N N 428 
THR   H2   H N N 429 
THR   HA   H N N 430 
THR   HB   H N N 431 
THR   HG1  H N N 432 
THR   HG21 H N N 433 
THR   HG22 H N N 434 
THR   HG23 H N N 435 
THR   HXT  H N N 436 
TRP   N    N N N 437 
TRP   CA   C N S 438 
TRP   C    C N N 439 
TRP   O    O N N 440 
TRP   CB   C N N 441 
TRP   CG   C Y N 442 
TRP   CD1  C Y N 443 
TRP   CD2  C Y N 444 
TRP   NE1  N Y N 445 
TRP   CE2  C Y N 446 
TRP   CE3  C Y N 447 
TRP   CZ2  C Y N 448 
TRP   CZ3  C Y N 449 
TRP   CH2  C Y N 450 
TRP   OXT  O N N 451 
TRP   H    H N N 452 
TRP   H2   H N N 453 
TRP   HA   H N N 454 
TRP   HB2  H N N 455 
TRP   HB3  H N N 456 
TRP   HD1  H N N 457 
TRP   HE1  H N N 458 
TRP   HE3  H N N 459 
TRP   HZ2  H N N 460 
TRP   HZ3  H N N 461 
TRP   HH2  H N N 462 
TRP   HXT  H N N 463 
TYR   N    N N N 464 
TYR   CA   C N S 465 
TYR   C    C N N 466 
TYR   O    O N N 467 
TYR   CB   C N N 468 
TYR   CG   C Y N 469 
TYR   CD1  C Y N 470 
TYR   CD2  C Y N 471 
TYR   CE1  C Y N 472 
TYR   CE2  C Y N 473 
TYR   CZ   C Y N 474 
TYR   OH   O N N 475 
TYR   OXT  O N N 476 
TYR   H    H N N 477 
TYR   H2   H N N 478 
TYR   HA   H N N 479 
TYR   HB2  H N N 480 
TYR   HB3  H N N 481 
TYR   HD1  H N N 482 
TYR   HD2  H N N 483 
TYR   HE1  H N N 484 
TYR   HE2  H N N 485 
TYR   HH   H N N 486 
TYR   HXT  H N N 487 
VAL   N    N N N 488 
VAL   CA   C N S 489 
VAL   C    C N N 490 
VAL   O    O N N 491 
VAL   CB   C N N 492 
VAL   CG1  C N N 493 
VAL   CG2  C N N 494 
VAL   OXT  O N N 495 
VAL   H    H N N 496 
VAL   H2   H N N 497 
VAL   HA   H N N 498 
VAL   HB   H N N 499 
VAL   HG11 H N N 500 
VAL   HG12 H N N 501 
VAL   HG13 H N N 502 
VAL   HG21 H N N 503 
VAL   HG22 H N N 504 
VAL   HG23 H N N 505 
VAL   HXT  H N N 506 
YCP   C    C N N 507 
YCP   N    N N N 508 
YCP   O    O N N 509 
YCP   CA   C N S 510 
YCP   CB   C N N 511 
YCP   CD   C N N 512 
YCP   CE   C N N 513 
YCP   CG   C N N 514 
YCP   OXT  O N N 515 
YCP   H    H N N 516 
YCP   HA   H N N 517 
YCP   HB   H N N 518 
YCP   HBA  H N N 519 
YCP   HD   H N N 520 
YCP   HDA  H N N 521 
YCP   HE   H N N 522 
YCP   HEA  H N N 523 
YCP   HG   H N N 524 
YCP   HGA  H N N 525 
YCP   HXT  H N N 526 
# 
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 
A1A2Y O   C    doub N N 1   
A1A2Y C   CA   sing N N 2   
A1A2Y N   CA   sing N N 3   
A1A2Y CA  CB   sing N N 4   
A1A2Y CB  CG   sing N N 5   
A1A2Y CG  CD1  doub Y N 6   
A1A2Y CG  CD2  sing Y N 7   
A1A2Y CD1 NE1  sing Y N 8   
A1A2Y CE3 CD2  doub Y N 9   
A1A2Y CE3 CZ3  sing Y N 10  
A1A2Y CD2 CE2  sing Y N 11  
A1A2Y NE1 CE2  sing Y N 12  
A1A2Y O23 CZ3  sing N N 13  
A1A2Y O23 C24  sing N N 14  
A1A2Y CZ3 CH2  doub Y N 15  
A1A2Y CE2 CZ2  doub Y N 16  
A1A2Y CH2 CZ2  sing Y N 17  
A1A2Y N   H    sing N N 18  
A1A2Y N   H2   sing N N 19  
A1A2Y CA  HA   sing N N 20  
A1A2Y CB  HB2  sing N N 21  
A1A2Y CB  HB3  sing N N 22  
A1A2Y CD1 HD1  sing N N 23  
A1A2Y CE3 HE3  sing N N 24  
A1A2Y C24 H10  sing N N 25  
A1A2Y C24 H11  sing N N 26  
A1A2Y C24 H12  sing N N 27  
A1A2Y CZ2 HZ2  sing N N 28  
A1A2Y NE1 HE1  sing N N 29  
A1A2Y CH2 HH2  sing N N 30  
A1A2Y C   OXT  sing N N 31  
A1A2Y OXT HXT  sing N N 32  
ACE   C   O    doub N N 33  
ACE   C   CH3  sing N N 34  
ACE   C   H    sing N N 35  
ACE   CH3 H1   sing N N 36  
ACE   CH3 H2   sing N N 37  
ACE   CH3 H3   sing N N 38  
ALA   N   CA   sing N N 39  
ALA   N   H    sing N N 40  
ALA   N   H2   sing N N 41  
ALA   CA  C    sing N N 42  
ALA   CA  CB   sing N N 43  
ALA   CA  HA   sing N N 44  
ALA   C   O    doub N N 45  
ALA   C   OXT  sing N N 46  
ALA   CB  HB1  sing N N 47  
ALA   CB  HB2  sing N N 48  
ALA   CB  HB3  sing N N 49  
ALA   OXT HXT  sing N N 50  
ARG   N   CA   sing N N 51  
ARG   N   H    sing N N 52  
ARG   N   H2   sing N N 53  
ARG   CA  C    sing N N 54  
ARG   CA  CB   sing N N 55  
ARG   CA  HA   sing N N 56  
ARG   C   O    doub N N 57  
ARG   C   OXT  sing N N 58  
ARG   CB  CG   sing N N 59  
ARG   CB  HB2  sing N N 60  
ARG   CB  HB3  sing N N 61  
ARG   CG  CD   sing N N 62  
ARG   CG  HG2  sing N N 63  
ARG   CG  HG3  sing N N 64  
ARG   CD  NE   sing N N 65  
ARG   CD  HD2  sing N N 66  
ARG   CD  HD3  sing N N 67  
ARG   NE  CZ   sing N N 68  
ARG   NE  HE   sing N N 69  
ARG   CZ  NH1  sing N N 70  
ARG   CZ  NH2  doub N N 71  
ARG   NH1 HH11 sing N N 72  
ARG   NH1 HH12 sing N N 73  
ARG   NH2 HH21 sing N N 74  
ARG   NH2 HH22 sing N N 75  
ARG   OXT HXT  sing N N 76  
ASN   N   CA   sing N N 77  
ASN   N   H    sing N N 78  
ASN   N   H2   sing N N 79  
ASN   CA  C    sing N N 80  
ASN   CA  CB   sing N N 81  
ASN   CA  HA   sing N N 82  
ASN   C   O    doub N N 83  
ASN   C   OXT  sing N N 84  
ASN   CB  CG   sing N N 85  
ASN   CB  HB2  sing N N 86  
ASN   CB  HB3  sing N N 87  
ASN   CG  OD1  doub N N 88  
ASN   CG  ND2  sing N N 89  
ASN   ND2 HD21 sing N N 90  
ASN   ND2 HD22 sing N N 91  
ASN   OXT HXT  sing N N 92  
ASP   N   CA   sing N N 93  
ASP   N   H    sing N N 94  
ASP   N   H2   sing N N 95  
ASP   CA  C    sing N N 96  
ASP   CA  CB   sing N N 97  
ASP   CA  HA   sing N N 98  
ASP   C   O    doub N N 99  
ASP   C   OXT  sing N N 100 
ASP   CB  CG   sing N N 101 
ASP   CB  HB2  sing N N 102 
ASP   CB  HB3  sing N N 103 
ASP   CG  OD1  doub N N 104 
ASP   CG  OD2  sing N N 105 
ASP   OD2 HD2  sing N N 106 
ASP   OXT HXT  sing N N 107 
CYS   N   CA   sing N N 108 
CYS   N   H    sing N N 109 
CYS   N   H2   sing N N 110 
CYS   CA  C    sing N N 111 
CYS   CA  CB   sing N N 112 
CYS   CA  HA   sing N N 113 
CYS   C   O    doub N N 114 
CYS   C   OXT  sing N N 115 
CYS   CB  SG   sing N N 116 
CYS   CB  HB2  sing N N 117 
CYS   CB  HB3  sing N N 118 
CYS   SG  HG   sing N N 119 
CYS   OXT HXT  sing N N 120 
DTT   S1  C1   sing N N 121 
DTT   S1  HS1  sing N N 122 
DTT   C1  C2   sing N N 123 
DTT   C1  H11  sing N N 124 
DTT   C1  H12  sing N N 125 
DTT   C2  O2   sing N N 126 
DTT   C2  C3   sing N N 127 
DTT   C2  H2   sing N N 128 
DTT   O2  HO2  sing N N 129 
DTT   C3  O3   sing N N 130 
DTT   C3  C4   sing N N 131 
DTT   C3  H3   sing N N 132 
DTT   O3  HO3  sing N N 133 
DTT   C4  S4   sing N N 134 
DTT   C4  H41  sing N N 135 
DTT   C4  H42  sing N N 136 
DTT   S4  HS2  sing N N 137 
GLN   N   CA   sing N N 138 
GLN   N   H    sing N N 139 
GLN   N   H2   sing N N 140 
GLN   CA  C    sing N N 141 
GLN   CA  CB   sing N N 142 
GLN   CA  HA   sing N N 143 
GLN   C   O    doub N N 144 
GLN   C   OXT  sing N N 145 
GLN   CB  CG   sing N N 146 
GLN   CB  HB2  sing N N 147 
GLN   CB  HB3  sing N N 148 
GLN   CG  CD   sing N N 149 
GLN   CG  HG2  sing N N 150 
GLN   CG  HG3  sing N N 151 
GLN   CD  OE1  doub N N 152 
GLN   CD  NE2  sing N N 153 
GLN   NE2 HE21 sing N N 154 
GLN   NE2 HE22 sing N N 155 
GLN   OXT HXT  sing N N 156 
GLU   N   CA   sing N N 157 
GLU   N   H    sing N N 158 
GLU   N   H2   sing N N 159 
GLU   CA  C    sing N N 160 
GLU   CA  CB   sing N N 161 
GLU   CA  HA   sing N N 162 
GLU   C   O    doub N N 163 
GLU   C   OXT  sing N N 164 
GLU   CB  CG   sing N N 165 
GLU   CB  HB2  sing N N 166 
GLU   CB  HB3  sing N N 167 
GLU   CG  CD   sing N N 168 
GLU   CG  HG2  sing N N 169 
GLU   CG  HG3  sing N N 170 
GLU   CD  OE1  doub N N 171 
GLU   CD  OE2  sing N N 172 
GLU   OE2 HE2  sing N N 173 
GLU   OXT HXT  sing N N 174 
GLY   N   CA   sing N N 175 
GLY   N   H    sing N N 176 
GLY   N   H2   sing N N 177 
GLY   CA  C    sing N N 178 
GLY   CA  HA2  sing N N 179 
GLY   CA  HA3  sing N N 180 
GLY   C   O    doub N N 181 
GLY   C   OXT  sing N N 182 
GLY   OXT HXT  sing N N 183 
HIS   N   CA   sing N N 184 
HIS   N   H    sing N N 185 
HIS   N   H2   sing N N 186 
HIS   CA  C    sing N N 187 
HIS   CA  CB   sing N N 188 
HIS   CA  HA   sing N N 189 
HIS   C   O    doub N N 190 
HIS   C   OXT  sing N N 191 
HIS   CB  CG   sing N N 192 
HIS   CB  HB2  sing N N 193 
HIS   CB  HB3  sing N N 194 
HIS   CG  ND1  sing Y N 195 
HIS   CG  CD2  doub Y N 196 
HIS   ND1 CE1  doub Y N 197 
HIS   ND1 HD1  sing N N 198 
HIS   CD2 NE2  sing Y N 199 
HIS   CD2 HD2  sing N N 200 
HIS   CE1 NE2  sing Y N 201 
HIS   CE1 HE1  sing N N 202 
HIS   NE2 HE2  sing N N 203 
HIS   OXT HXT  sing N N 204 
HOH   O   H1   sing N N 205 
HOH   O   H2   sing N N 206 
ILE   N   CA   sing N N 207 
ILE   N   H    sing N N 208 
ILE   N   H2   sing N N 209 
ILE   CA  C    sing N N 210 
ILE   CA  CB   sing N N 211 
ILE   CA  HA   sing N N 212 
ILE   C   O    doub N N 213 
ILE   C   OXT  sing N N 214 
ILE   CB  CG1  sing N N 215 
ILE   CB  CG2  sing N N 216 
ILE   CB  HB   sing N N 217 
ILE   CG1 CD1  sing N N 218 
ILE   CG1 HG12 sing N N 219 
ILE   CG1 HG13 sing N N 220 
ILE   CG2 HG21 sing N N 221 
ILE   CG2 HG22 sing N N 222 
ILE   CG2 HG23 sing N N 223 
ILE   CD1 HD11 sing N N 224 
ILE   CD1 HD12 sing N N 225 
ILE   CD1 HD13 sing N N 226 
ILE   OXT HXT  sing N N 227 
LEU   N   CA   sing N N 228 
LEU   N   H    sing N N 229 
LEU   N   H2   sing N N 230 
LEU   CA  C    sing N N 231 
LEU   CA  CB   sing N N 232 
LEU   CA  HA   sing N N 233 
LEU   C   O    doub N N 234 
LEU   C   OXT  sing N N 235 
LEU   CB  CG   sing N N 236 
LEU   CB  HB2  sing N N 237 
LEU   CB  HB3  sing N N 238 
LEU   CG  CD1  sing N N 239 
LEU   CG  CD2  sing N N 240 
LEU   CG  HG   sing N N 241 
LEU   CD1 HD11 sing N N 242 
LEU   CD1 HD12 sing N N 243 
LEU   CD1 HD13 sing N N 244 
LEU   CD2 HD21 sing N N 245 
LEU   CD2 HD22 sing N N 246 
LEU   CD2 HD23 sing N N 247 
LEU   OXT HXT  sing N N 248 
LYS   N   CA   sing N N 249 
LYS   N   H    sing N N 250 
LYS   N   H2   sing N N 251 
LYS   CA  C    sing N N 252 
LYS   CA  CB   sing N N 253 
LYS   CA  HA   sing N N 254 
LYS   C   O    doub N N 255 
LYS   C   OXT  sing N N 256 
LYS   CB  CG   sing N N 257 
LYS   CB  HB2  sing N N 258 
LYS   CB  HB3  sing N N 259 
LYS   CG  CD   sing N N 260 
LYS   CG  HG2  sing N N 261 
LYS   CG  HG3  sing N N 262 
LYS   CD  CE   sing N N 263 
LYS   CD  HD2  sing N N 264 
LYS   CD  HD3  sing N N 265 
LYS   CE  NZ   sing N N 266 
LYS   CE  HE2  sing N N 267 
LYS   CE  HE3  sing N N 268 
LYS   NZ  HZ1  sing N N 269 
LYS   NZ  HZ2  sing N N 270 
LYS   NZ  HZ3  sing N N 271 
LYS   OXT HXT  sing N N 272 
MET   N   CA   sing N N 273 
MET   N   H    sing N N 274 
MET   N   H2   sing N N 275 
MET   CA  C    sing N N 276 
MET   CA  CB   sing N N 277 
MET   CA  HA   sing N N 278 
MET   C   O    doub N N 279 
MET   C   OXT  sing N N 280 
MET   CB  CG   sing N N 281 
MET   CB  HB2  sing N N 282 
MET   CB  HB3  sing N N 283 
MET   CG  SD   sing N N 284 
MET   CG  HG2  sing N N 285 
MET   CG  HG3  sing N N 286 
MET   SD  CE   sing N N 287 
MET   CE  HE1  sing N N 288 
MET   CE  HE2  sing N N 289 
MET   CE  HE3  sing N N 290 
MET   OXT HXT  sing N N 291 
NH2   N   HN1  sing N N 292 
NH2   N   HN2  sing N N 293 
P33   O22 C21  sing N N 294 
P33   O22 H22  sing N N 295 
P33   C21 C20  sing N N 296 
P33   C21 H211 sing N N 297 
P33   C21 H212 sing N N 298 
P33   C20 O19  sing N N 299 
P33   C20 H201 sing N N 300 
P33   C20 H202 sing N N 301 
P33   O19 C18  sing N N 302 
P33   C18 C17  sing N N 303 
P33   C18 H181 sing N N 304 
P33   C18 H182 sing N N 305 
P33   C17 O16  sing N N 306 
P33   C17 H171 sing N N 307 
P33   C17 H172 sing N N 308 
P33   O16 C15  sing N N 309 
P33   C15 C14  sing N N 310 
P33   C15 H151 sing N N 311 
P33   C15 H152 sing N N 312 
P33   C14 O13  sing N N 313 
P33   C14 H141 sing N N 314 
P33   C14 H142 sing N N 315 
P33   O13 C12  sing N N 316 
P33   C12 C11  sing N N 317 
P33   C12 H121 sing N N 318 
P33   C12 H122 sing N N 319 
P33   C11 O10  sing N N 320 
P33   C11 H111 sing N N 321 
P33   C11 H112 sing N N 322 
P33   O10 C9   sing N N 323 
P33   C9  C8   sing N N 324 
P33   C9  H91  sing N N 325 
P33   C9  H92  sing N N 326 
P33   C8  O7   sing N N 327 
P33   C8  H81  sing N N 328 
P33   C8  H82  sing N N 329 
P33   O7  C6   sing N N 330 
P33   C6  C5   sing N N 331 
P33   C6  H61  sing N N 332 
P33   C6  H62  sing N N 333 
P33   C5  O4   sing N N 334 
P33   C5  H51  sing N N 335 
P33   C5  H52  sing N N 336 
P33   O4  C3   sing N N 337 
P33   C3  C2   sing N N 338 
P33   C3  H31  sing N N 339 
P33   C3  H32  sing N N 340 
P33   C2  O1   sing N N 341 
P33   C2  H21  sing N N 342 
P33   C2  H22A sing N N 343 
P33   O1  HO1  sing N N 344 
PHE   N   CA   sing N N 345 
PHE   N   H    sing N N 346 
PHE   N   H2   sing N N 347 
PHE   CA  C    sing N N 348 
PHE   CA  CB   sing N N 349 
PHE   CA  HA   sing N N 350 
PHE   C   O    doub N N 351 
PHE   C   OXT  sing N N 352 
PHE   CB  CG   sing N N 353 
PHE   CB  HB2  sing N N 354 
PHE   CB  HB3  sing N N 355 
PHE   CG  CD1  doub Y N 356 
PHE   CG  CD2  sing Y N 357 
PHE   CD1 CE1  sing Y N 358 
PHE   CD1 HD1  sing N N 359 
PHE   CD2 CE2  doub Y N 360 
PHE   CD2 HD2  sing N N 361 
PHE   CE1 CZ   doub Y N 362 
PHE   CE1 HE1  sing N N 363 
PHE   CE2 CZ   sing Y N 364 
PHE   CE2 HE2  sing N N 365 
PHE   CZ  HZ   sing N N 366 
PHE   OXT HXT  sing N N 367 
PRO   N   CA   sing N N 368 
PRO   N   CD   sing N N 369 
PRO   N   H    sing N N 370 
PRO   CA  C    sing N N 371 
PRO   CA  CB   sing N N 372 
PRO   CA  HA   sing N N 373 
PRO   C   O    doub N N 374 
PRO   C   OXT  sing N N 375 
PRO   CB  CG   sing N N 376 
PRO   CB  HB2  sing N N 377 
PRO   CB  HB3  sing N N 378 
PRO   CG  CD   sing N N 379 
PRO   CG  HG2  sing N N 380 
PRO   CG  HG3  sing N N 381 
PRO   CD  HD2  sing N N 382 
PRO   CD  HD3  sing N N 383 
PRO   OXT HXT  sing N N 384 
SER   N   CA   sing N N 385 
SER   N   H    sing N N 386 
SER   N   H2   sing N N 387 
SER   CA  C    sing N N 388 
SER   CA  CB   sing N N 389 
SER   CA  HA   sing N N 390 
SER   C   O    doub N N 391 
SER   C   OXT  sing N N 392 
SER   CB  OG   sing N N 393 
SER   CB  HB2  sing N N 394 
SER   CB  HB3  sing N N 395 
SER   OG  HG   sing N N 396 
SER   OXT HXT  sing N N 397 
SO4   S   O1   doub N N 398 
SO4   S   O2   doub N N 399 
SO4   S   O3   sing N N 400 
SO4   S   O4   sing N N 401 
THR   N   CA   sing N N 402 
THR   N   H    sing N N 403 
THR   N   H2   sing N N 404 
THR   CA  C    sing N N 405 
THR   CA  CB   sing N N 406 
THR   CA  HA   sing N N 407 
THR   C   O    doub N N 408 
THR   C   OXT  sing N N 409 
THR   CB  OG1  sing N N 410 
THR   CB  CG2  sing N N 411 
THR   CB  HB   sing N N 412 
THR   OG1 HG1  sing N N 413 
THR   CG2 HG21 sing N N 414 
THR   CG2 HG22 sing N N 415 
THR   CG2 HG23 sing N N 416 
THR   OXT HXT  sing N N 417 
TRP   N   CA   sing N N 418 
TRP   N   H    sing N N 419 
TRP   N   H2   sing N N 420 
TRP   CA  C    sing N N 421 
TRP   CA  CB   sing N N 422 
TRP   CA  HA   sing N N 423 
TRP   C   O    doub N N 424 
TRP   C   OXT  sing N N 425 
TRP   CB  CG   sing N N 426 
TRP   CB  HB2  sing N N 427 
TRP   CB  HB3  sing N N 428 
TRP   CG  CD1  doub Y N 429 
TRP   CG  CD2  sing Y N 430 
TRP   CD1 NE1  sing Y N 431 
TRP   CD1 HD1  sing N N 432 
TRP   CD2 CE2  doub Y N 433 
TRP   CD2 CE3  sing Y N 434 
TRP   NE1 CE2  sing Y N 435 
TRP   NE1 HE1  sing N N 436 
TRP   CE2 CZ2  sing Y N 437 
TRP   CE3 CZ3  doub Y N 438 
TRP   CE3 HE3  sing N N 439 
TRP   CZ2 CH2  doub Y N 440 
TRP   CZ2 HZ2  sing N N 441 
TRP   CZ3 CH2  sing Y N 442 
TRP   CZ3 HZ3  sing N N 443 
TRP   CH2 HH2  sing N N 444 
TRP   OXT HXT  sing N N 445 
TYR   N   CA   sing N N 446 
TYR   N   H    sing N N 447 
TYR   N   H2   sing N N 448 
TYR   CA  C    sing N N 449 
TYR   CA  CB   sing N N 450 
TYR   CA  HA   sing N N 451 
TYR   C   O    doub N N 452 
TYR   C   OXT  sing N N 453 
TYR   CB  CG   sing N N 454 
TYR   CB  HB2  sing N N 455 
TYR   CB  HB3  sing N N 456 
TYR   CG  CD1  doub Y N 457 
TYR   CG  CD2  sing Y N 458 
TYR   CD1 CE1  sing Y N 459 
TYR   CD1 HD1  sing N N 460 
TYR   CD2 CE2  doub Y N 461 
TYR   CD2 HD2  sing N N 462 
TYR   CE1 CZ   doub Y N 463 
TYR   CE1 HE1  sing N N 464 
TYR   CE2 CZ   sing Y N 465 
TYR   CE2 HE2  sing N N 466 
TYR   CZ  OH   sing N N 467 
TYR   OH  HH   sing N N 468 
TYR   OXT HXT  sing N N 469 
VAL   N   CA   sing N N 470 
VAL   N   H    sing N N 471 
VAL   N   H2   sing N N 472 
VAL   CA  C    sing N N 473 
VAL   CA  CB   sing N N 474 
VAL   CA  HA   sing N N 475 
VAL   C   O    doub N N 476 
VAL   C   OXT  sing N N 477 
VAL   CB  CG1  sing N N 478 
VAL   CB  CG2  sing N N 479 
VAL   CB  HB   sing N N 480 
VAL   CG1 HG11 sing N N 481 
VAL   CG1 HG12 sing N N 482 
VAL   CG1 HG13 sing N N 483 
VAL   CG2 HG21 sing N N 484 
VAL   CG2 HG22 sing N N 485 
VAL   CG2 HG23 sing N N 486 
VAL   OXT HXT  sing N N 487 
YCP   C   O    doub N N 488 
YCP   C   CA   sing N N 489 
YCP   C   OXT  sing N N 490 
YCP   N   CA   sing N N 491 
YCP   N   CE   sing N N 492 
YCP   CA  CB   sing N N 493 
YCP   CB  CG   sing N N 494 
YCP   CD  CE   sing N N 495 
YCP   CD  CG   sing N N 496 
YCP   N   H    sing N N 497 
YCP   CA  HA   sing N N 498 
YCP   CB  HB   sing N N 499 
YCP   CB  HBA  sing N N 500 
YCP   CD  HD   sing N N 501 
YCP   CD  HDA  sing N N 502 
YCP   CE  HE   sing N N 503 
YCP   CE  HEA  sing N N 504 
YCP   CG  HG   sing N N 505 
YCP   CG  HGA  sing N N 506 
YCP   OXT HXT  sing N N 507 
# 
loop_
_pdbx_audit_support.funding_organization 
_pdbx_audit_support.country 
_pdbx_audit_support.grant_number 
_pdbx_audit_support.ordinal 
'National Institutes of Health/National Institute of Neurological Disorders and Stroke (NIH/NINDS)' 'United States' NS107479 1 
'National Institutes of Health/National Cancer Institute (NIH/NCI)'                                 'United States' CA168517 2 
'National Institutes of Health/National Cancer Institute (NIH/NCI)'                                 'United States' CA285114 3 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   1 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2Q5A 
_pdbx_initial_refinement_model.details          ? 
# 
_space_group.name_H-M_alt     'P 31 2 1' 
_space_group.name_Hall        
;P 31 2"
;
_space_group.IT_number        152 
_space_group.crystal_system   trigonal 
_space_group.id               1 
# 
_atom_sites.entry_id                    8VJE 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.014470 
_atom_sites.fract_transf_matrix[1][2]   0.008354 
_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]   0.016709 
_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]   0.012653 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
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   . LEU   A 1 10  ? 10.97344 -11.50396 3.22089  1.000 59.51322  ? 7   LEU   A N   1 
ATOM   2    C CA  . LEU   A 1 10  ? 11.92945 -12.39670 3.86382  1.000 61.25445  ? 7   LEU   A CA  1 
ATOM   3    C C   . LEU   A 1 10  ? 13.07301 -11.62365 4.51888  1.000 58.53325  ? 7   LEU   A C   1 
ATOM   4    O O   . LEU   A 1 10  ? 13.57945 -10.65882 3.95408  1.000 65.03902  ? 7   LEU   A O   1 
ATOM   5    C CB  . LEU   A 1 10  ? 12.48505 -13.40397 2.84847  1.000 63.58568  ? 7   LEU   A CB  1 
ATOM   6    C CG  . LEU   A 1 10  ? 11.56908 -14.56884 2.45708  1.000 62.98917  ? 7   LEU   A CG  1 
ATOM   7    C CD1 . LEU   A 1 10  ? 12.11290 -15.32655 1.25327  1.000 51.64281  ? 7   LEU   A CD1 1 
ATOM   8    C CD2 . LEU   A 1 10  ? 11.38845 -15.51017 3.63632  1.000 56.75893  ? 7   LEU   A CD2 1 
ATOM   9    N N   . PRO   A 1 11  ? 13.48137 -12.06592 5.70429  1.000 62.37104  ? 8   PRO   A N   1 
ATOM   10   C CA  . PRO   A 1 11  ? 14.57090 -11.39421 6.43985  1.000 61.16195  ? 8   PRO   A CA  1 
ATOM   11   C C   . PRO   A 1 11  ? 15.84691 -11.31723 5.61566  1.000 62.74451  ? 8   PRO   A C   1 
ATOM   12   O O   . PRO   A 1 11  ? 15.95529 -11.95704 4.55726  1.000 59.10221  ? 8   PRO   A O   1 
ATOM   13   C CB  . PRO   A 1 11  ? 14.75285 -12.28940 7.67571  1.000 60.07881  ? 8   PRO   A CB  1 
ATOM   14   C CG  . PRO   A 1 11  ? 13.42533 -12.93869 7.86022  1.000 64.11382  ? 8   PRO   A CG  1 
ATOM   15   C CD  . PRO   A 1 11  ? 12.88684 -13.16795 6.47783  1.000 62.55286  ? 8   PRO   A CD  1 
ATOM   16   N N   . PRO   A 1 12  ? 16.83955 -10.54376 6.06464  1.000 59.28598  ? 9   PRO   A N   1 
ATOM   17   C CA  . PRO   A 1 12  ? 18.03716 -10.31550 5.23547  1.000 57.69612  ? 9   PRO   A CA  1 
ATOM   18   C C   . PRO   A 1 12  ? 18.80756 -11.59716 4.95804  1.000 49.98145  ? 9   PRO   A C   1 
ATOM   19   O O   . PRO   A 1 12  ? 19.26785 -12.28281 5.88038  1.000 45.19364  ? 9   PRO   A O   1 
ATOM   20   C CB  . PRO   A 1 12  ? 18.86732 -9.33745  6.07810  1.000 56.88756  ? 9   PRO   A CB  1 
ATOM   21   C CG  . PRO   A 1 12  ? 17.88266 -8.66709  6.96801  1.000 58.16585  ? 9   PRO   A CG  1 
ATOM   22   C CD  . PRO   A 1 12  ? 16.85487 -9.71116  7.28193  1.000 57.65412  ? 9   PRO   A CD  1 
ATOM   23   N N   . GLY   A 1 13  ? 18.96886 -11.90252 3.66771  1.000 46.90587  ? 10  GLY   A N   1 
ATOM   24   C CA  . GLY   A 1 13  ? 19.78222 -13.01202 3.22081  1.000 39.39738  ? 10  GLY   A CA  1 
ATOM   25   C C   . GLY   A 1 13  ? 19.01595 -14.27414 2.88141  1.000 35.65126  ? 10  GLY   A C   1 
ATOM   26   O O   . GLY   A 1 13  ? 19.61184 -15.20514 2.33177  1.000 29.38735  ? 10  GLY   A O   1 
ATOM   27   N N   . TRP   A 1 14  ? 17.71887 -14.32283 3.17199  1.000 40.99990  ? 11  TRP   A N   1 
ATOM   28   C CA  . TRP   A 1 14  ? 16.92957 -15.54014 3.03226  1.000 38.49988  ? 11  TRP   A CA  1 
ATOM   29   C C   . TRP   A 1 14  ? 16.28510 -15.62745 1.65204  1.000 38.36862  ? 11  TRP   A C   1 
ATOM   30   O O   . TRP   A 1 14  ? 15.82945 -14.62189 1.09530  1.000 42.00324  ? 11  TRP   A O   1 
ATOM   31   C CB  . TRP   A 1 14  ? 15.85226 -15.59247 4.11812  1.000 38.64984  ? 11  TRP   A CB  1 
ATOM   32   C CG  . TRP   A 1 14  ? 16.35976 -15.93943 5.48927  1.000 39.11932  ? 11  TRP   A CG  1 
ATOM   33   C CD1 . TRP   A 1 14  ? 16.60373 -15.07850 6.52540  1.000 33.10878  ? 11  TRP   A CD1 1 
ATOM   34   C CD2 . TRP   A 1 14  ? 16.67333 -17.24588 5.97623  1.000 31.60059  ? 11  TRP   A CD2 1 
ATOM   35   N NE1 . TRP   A 1 14  ? 17.05536 -15.77128 7.62264  1.000 38.21150  ? 11  TRP   A NE1 1 
ATOM   36   C CE2 . TRP   A 1 14  ? 17.10008 -17.10574 7.31416  1.000 33.07378  ? 11  TRP   A CE2 1 
ATOM   37   C CE3 . TRP   A 1 14  ? 16.63165 -18.52471 5.41228  1.000 28.10751  ? 11  TRP   A CE3 1 
ATOM   38   C CZ2 . TRP   A 1 14  ? 17.48180 -18.19145 8.09098  1.000 31.25220  ? 11  TRP   A CZ2 1 
ATOM   39   C CZ3 . TRP   A 1 14  ? 17.02099 -19.59553 6.18470  1.000 26.18692  ? 11  TRP   A CZ3 1 
ATOM   40   C CH2 . TRP   A 1 14  ? 17.43610 -19.42613 7.50786  1.000 29.60168  ? 11  TRP   A CH2 1 
ATOM   41   N N   . GLU   A 1 15  ? 16.25370 -16.84240 1.10016  1.000 31.03421  ? 12  GLU   A N   1 
ATOM   42   C CA  . GLU   A 1 15  ? 15.64407 -17.11608 -0.19399 1.000 33.41066  ? 12  GLU   A CA  1 
ATOM   43   C C   . GLU   A 1 15  ? 14.87423 -18.42671 -0.10460 1.000 32.56201  ? 12  GLU   A C   1 
ATOM   44   O O   . GLU   A 1 15  ? 15.15731 -19.27881 0.74018  1.000 29.02528  ? 12  GLU   A O   1 
ATOM   45   C CB  . GLU   A 1 15  ? 16.69031 -17.20593 -1.32245 1.000 38.61793  ? 12  GLU   A CB  1 
ATOM   46   C CG  . GLU   A 1 15  ? 17.40886 -18.56997 -1.40135 1.000 41.47504  ? 12  GLU   A CG  1 
ATOM   47   C CD  . GLU   A 1 15  ? 18.51663 -18.64309 -2.46270 1.000 48.47673  ? 12  GLU   A CD  1 
ATOM   48   O OE1 . GLU   A 1 15  ? 19.57429 -17.99256 -2.29079 1.000 41.07450  ? 12  GLU   A OE1 1 
ATOM   49   O OE2 . GLU   A 1 15  ? 18.33264 -19.36734 -3.46970 1.000 52.84885  ? 12  GLU   A OE2 1 
ATOM   50   N N   . LYS   A 1 16  ? 13.89420 -18.58215 -0.98661 1.000 33.12128  ? 13  LYS   A N   1 
ATOM   51   C CA  . LYS   A 1 16  ? 13.09356 -19.79544 -1.05500 1.000 35.64058  ? 13  LYS   A CA  1 
ATOM   52   C C   . LYS   A 1 16  ? 13.68639 -20.73632 -2.09687 1.000 40.05247  ? 13  LYS   A C   1 
ATOM   53   O O   . LYS   A 1 16  ? 14.09743 -20.30235 -3.17600 1.000 38.58948  ? 13  LYS   A O   1 
ATOM   54   C CB  . LYS   A 1 16  ? 11.64160 -19.45672 -1.40133 1.000 37.44827  ? 13  LYS   A CB  1 
ATOM   55   C CG  . LYS   A 1 16  ? 10.68931 -20.62286 -1.31416 1.000 45.22609  ? 13  LYS   A CG  1 
ATOM   56   C CD  . LYS   A 1 16  ? 9.24302  -20.19014 -1.55512 1.000 50.24162  ? 13  LYS   A CD  1 
ATOM   57   C CE  . LYS   A 1 16  ? 9.06246  -19.58549 -2.93876 1.000 54.87491  ? 13  LYS   A CE  1 
ATOM   58   N NZ  . LYS   A 1 16  ? 7.64805  -19.18817 -3.20686 1.000 65.70730  ? 13  LYS   A NZ  1 
ATOM   59   N N   . ALA   A 1 17  ? 13.74515 -22.02336 -1.76576 1.000 34.35561  ? 14  ALA   A N   1 
ATOM   60   C CA  . ALA   A 1 17  ? 14.26064 -23.03176 -2.68387 1.000 35.95475  ? 14  ALA   A CA  1 
ATOM   61   C C   . ALA   A 1 17  ? 13.41081 -24.28737 -2.56485 1.000 39.89552  ? 14  ALA   A C   1 
ATOM   62   O O   . ALA   A 1 17  ? 12.55835 -24.40344 -1.68250 1.000 33.33574  ? 14  ALA   A O   1 
ATOM   63   C CB  . ALA   A 1 17  ? 15.73304 -23.34818 -2.40864 1.000 41.19148  ? 14  ALA   A CB  1 
ATOM   64   N N   . MET   A 1 18  ? 13.63892 -25.23281 -3.46983 1.000 40.34221  ? 15  MET   A N   1 
ATOM   65   C CA  . MET   A 1 18  ? 12.90330 -26.48884 -3.47933 1.000 37.04947  ? 15  MET   A CA  1 
ATOM   66   C C   . MET   A 1 18  ? 13.87326 -27.62615 -3.19926 1.000 41.55486  ? 15  MET   A C   1 
ATOM   67   O O   . MET   A 1 18  ? 14.96674 -27.67134 -3.77310 1.000 40.38970  ? 15  MET   A O   1 
ATOM   68   C CB  . MET   A 1 18  ? 12.17590 -26.69034 -4.81241 1.000 46.81835  ? 15  MET   A CB  1 
ATOM   69   C CG  . MET   A 1 18  ? 11.47106 -28.03401 -4.95244 1.000 45.49761  ? 15  MET   A CG  1 
ATOM   70   S SD  . MET   A 1 18  ? 12.49966 -29.17591 -5.91951 1.000 85.68850  ? 15  MET   A SD  1 
ATOM   71   C CE  . MET   A 1 18  ? 11.29273 -30.15452 -6.82114 1.000 68.25579  ? 15  MET   A CE  1 
ATOM   72   N N   . SER   A 1 19  ? 13.48208 -28.52166 -2.29595 1.000 39.89491  ? 16  SER   A N   1 
ATOM   73   C CA  . SER   A 1 19  ? 14.34382 -29.63549 -1.92472 1.000 38.81870  ? 16  SER   A CA  1 
ATOM   74   C C   . SER   A 1 19  ? 14.49944 -30.59611 -3.09646 1.000 39.70046  ? 16  SER   A C   1 
ATOM   75   O O   . SER   A 1 19  ? 13.51857 -30.97091 -3.74177 1.000 38.41727  ? 16  SER   A O   1 
ATOM   76   C CB  . SER   A 1 19  ? 13.77411 -30.37601 -0.72185 1.000 42.51295  ? 16  SER   A CB  1 
ATOM   77   O OG  . SER   A 1 19  ? 14.32792 -31.67877 -0.63898 1.000 47.58980  ? 16  SER   A OG  1 
ATOM   78   N N   . ARG   A 1 20  ? 15.73812 -31.01069 -3.35147 1.000 40.41351  ? 17  ARG   A N   1 
ATOM   79   C CA  . ARG   A 1 20  ? 16.00111 -31.87091 -4.49766 1.000 42.43424  ? 17  ARG   A CA  1 
ATOM   80   C C   . ARG   A 1 20  ? 15.42272 -33.26605 -4.29127 1.000 46.19226  ? 17  ARG   A C   1 
ATOM   81   O O   . ARG   A 1 20  ? 14.93365 -33.88075 -5.24149 1.000 45.77591  ? 17  ARG   A O   1 
ATOM   82   C CB  . ARG   A 1 20  ? 17.50454 -31.93375 -4.76275 1.000 44.32988  ? 17  ARG   A CB  1 
ATOM   83   C CG  . ARG   A 1 20  ? 17.86551 -32.53024 -6.09981 1.000 53.43312  ? 17  ARG   A CG  1 
ATOM   84   C CD  . ARG   A 1 20  ? 18.98877 -31.75656 -6.75507 1.000 53.43274  ? 17  ARG   A CD  1 
ATOM   85   N NE  . ARG   A 1 20  ? 18.68728 -30.33217 -6.84659 1.000 46.89135  ? 17  ARG   A NE  1 
ATOM   86   C CZ  . ARG   A 1 20  ? 19.57924 -29.40961 -7.17943 1.000 47.85405  ? 17  ARG   A CZ  1 
ATOM   87   N NH1 . ARG   A 1 20  ? 20.82166 -29.73698 -7.50160 1.000 48.67004  ? 17  ARG   A NH1 1 
ATOM   88   N NH2 . ARG   A 1 20  ? 19.22162 -28.12726 -7.17364 1.000 45.70954  ? 17  ARG   A NH2 1 
ATOM   89   N N   . SER   A 1 21  ? 15.45090 -33.77990 -3.06050 1.000 43.62916  ? 18  SER   A N   1 
ATOM   90   C CA  . SER   A 1 21  ? 15.01262 -35.15463 -2.84143 1.000 47.22801  ? 18  SER   A CA  1 
ATOM   91   C C   . SER   A 1 21  ? 13.51051 -35.26869 -2.61329 1.000 47.81532  ? 18  SER   A C   1 
ATOM   92   O O   . SER   A 1 21  ? 12.88678 -36.23145 -3.07877 1.000 48.22373  ? 18  SER   A O   1 
ATOM   93   C CB  . SER   A 1 21  ? 15.76554 -35.76827 -1.65891 1.000 49.02487  ? 18  SER   A CB  1 
ATOM   94   O OG  . SER   A 1 21  ? 15.71651 -34.91804 -0.52777 1.000 52.04605  ? 18  SER   A OG  1 
ATOM   95   N N   . SER   A 1 22  ? 12.91124 -34.30243 -1.91310 1.000 48.70289  ? 19  SER   A N   1 
ATOM   96   C CA  . SER   A 1 22  ? 11.50002 -34.37256 -1.56162 1.000 44.20614  ? 19  SER   A CA  1 
ATOM   97   C C   . SER   A 1 22  ? 10.61347 -33.43471 -2.36017 1.000 42.88735  ? 19  SER   A C   1 
ATOM   98   O O   . SER   A 1 22  ? 9.40493  -33.66835 -2.42799 1.000 42.47598  ? 19  SER   A O   1 
ATOM   99   C CB  . SER   A 1 22  ? 11.30435 -34.06234 -0.07050 1.000 43.53634  ? 19  SER   A CB  1 
ATOM   100  O OG  . SER   A 1 22  ? 11.32403 -32.66227 0.15105  1.000 45.96778  ? 19  SER   A OG  1 
ATOM   101  N N   . GLY   A 1 23  ? 11.16909 -32.39066 -2.96728 1.000 40.66470  ? 20  GLY   A N   1 
ATOM   102  C CA  . GLY   A 1 23  ? 10.34291 -31.43998 -3.67380 1.000 40.37769  ? 20  GLY   A CA  1 
ATOM   103  C C   . GLY   A 1 23  ? 9.62612  -30.45166 -2.78636 1.000 42.92602  ? 20  GLY   A C   1 
ATOM   104  O O   . GLY   A 1 23  ? 8.85447  -29.62846 -3.29459 1.000 41.18815  ? 20  GLY   A O   1 
ATOM   105  N N   . ARG   A 1 24  ? 9.86165  -30.50731 -1.48002 1.000 37.89121  ? 21  ARG   A N   1 
ATOM   106  C CA  . ARG   A 1 24  ? 9.26929  -29.57589 -0.53909 1.000 36.28005  ? 21  ARG   A CA  1 
ATOM   107  C C   . ARG   A 1 24  ? 10.05865 -28.27158 -0.53009 1.000 29.25082  ? 21  ARG   A C   1 
ATOM   108  O O   . ARG   A 1 24  ? 11.28750 -28.27140 -0.63219 1.000 30.65662  ? 21  ARG   A O   1 
ATOM   109  C CB  . ARG   A 1 24  ? 9.25674  -30.20262 0.86031  1.000 40.71091  ? 21  ARG   A CB  1 
ATOM   110  C CG  . ARG   A 1 24  ? 8.23580  -29.61307 1.82423  1.000 50.49723  ? 21  ARG   A CG  1 
ATOM   111  C CD  . ARG   A 1 24  ? 7.76169  -30.63763 2.87353  1.000 46.55862  ? 21  ARG   A CD  1 
ATOM   112  N NE  . ARG   A 1 24  ? 8.77543  -30.99075 3.86269  1.000 46.58355  ? 21  ARG   A NE  1 
ATOM   113  C CZ  . ARG   A 1 24  ? 9.05288  -30.28040 4.95223  1.000 42.14020  ? 21  ARG   A CZ  1 
ATOM   114  N NH1 . ARG   A 1 24  ? 8.47667  -29.10204 5.18452  1.000 41.65423  ? 21  ARG   A NH1 1 
ATOM   115  N NH2 . ARG   A 1 24  ? 9.91788  -30.76575 5.83920  1.000 41.04653  ? 21  ARG   A NH2 1 
ATOM   116  N N   . VAL   A 1 25  ? 9.33163  -27.16007 -0.41969 1.000 31.95761  ? 22  VAL   A N   1 
ATOM   117  C CA  . VAL   A 1 25  ? 9.95228  -25.84802 -0.28193 1.000 30.80911  ? 22  VAL   A CA  1 
ATOM   118  C C   . VAL   A 1 25  ? 10.76441 -25.78202 1.00813  1.000 29.94221  ? 22  VAL   A C   1 
ATOM   119  O O   . VAL   A 1 25  ? 10.36539 -26.32862 2.04144  1.000 30.04878  ? 22  VAL   A O   1 
ATOM   120  C CB  . VAL   A 1 25  ? 8.84805  -24.77667 -0.30901 1.000 37.05607  ? 22  VAL   A CB  1 
ATOM   121  C CG1 . VAL   A 1 25  ? 9.37710  -23.43147 0.10509  1.000 42.98010  ? 22  VAL   A CG1 1 
ATOM   122  C CG2 . VAL   A 1 25  ? 8.22171  -24.70028 -1.69798 1.000 38.02275  ? 22  VAL   A CG2 1 
ATOM   123  N N   . TYR   A 1 26  ? 11.91488 -25.10759 0.95835  1.000 27.59183  ? 23  TYR   A N   1 
ATOM   124  C CA  . TYR   A 1 26  ? 12.66055 -24.79180 2.17218  1.000 24.34171  ? 23  TYR   A CA  1 
ATOM   125  C C   . TYR   A 1 26  ? 13.27778 -23.41230 2.01774  1.000 24.56647  ? 23  TYR   A C   1 
ATOM   126  O O   . TYR   A 1 26  ? 13.11497 -22.74942 0.99206  1.000 28.72844  ? 23  TYR   A O   1 
ATOM   127  C CB  . TYR   A 1 26  ? 13.74402 -25.82977 2.47905  1.000 25.67537  ? 23  TYR   A CB  1 
ATOM   128  C CG  . TYR   A 1 26  ? 14.94640 -25.80344 1.55267  1.000 26.37613  ? 23  TYR   A CG  1 
ATOM   129  C CD1 . TYR   A 1 26  ? 14.86351 -26.32494 0.26768  1.000 32.70939  ? 23  TYR   A CD1 1 
ATOM   130  C CD2 . TYR   A 1 26  ? 16.17595 -25.29090 1.97405  1.000 28.01811  ? 23  TYR   A CD2 1 
ATOM   131  C CE1 . TYR   A 1 26  ? 15.95719 -26.31572 -0.57060 1.000 33.17825  ? 23  TYR   A CE1 1 
ATOM   132  C CE2 . TYR   A 1 26  ? 17.27329 -25.28152 1.14158  1.000 27.79226  ? 23  TYR   A CE2 1 
ATOM   133  C CZ  . TYR   A 1 26  ? 17.15222 -25.80410 -0.13367 1.000 33.69168  ? 23  TYR   A CZ  1 
ATOM   134  O OH  . TYR   A 1 26  ? 18.23938 -25.80027 -0.97540 1.000 43.45913  ? 23  TYR   A OH  1 
ATOM   135  N N   . TYR   A 1 27  ? 13.99227 -22.97688 3.05174  1.000 23.09485  ? 24  TYR   A N   1 
ATOM   136  C CA  . TYR   A 1 27  ? 14.56902 -21.64033 3.06551  1.000 25.23345  ? 24  TYR   A CA  1 
ATOM   137  C C   . TYR   A 1 27  ? 16.06556 -21.71146 3.31603  1.000 22.28735  ? 24  TYR   A C   1 
ATOM   138  O O   . TYR   A 1 27  ? 16.53079 -22.47751 4.16304  1.000 21.04694  ? 24  TYR   A O   1 
ATOM   139  C CB  . TYR   A 1 27  ? 13.88402 -20.77555 4.11825  1.000 24.53941  ? 24  TYR   A CB  1 
ATOM   140  C CG  . TYR   A 1 27  ? 12.40988 -20.66061 3.84873  1.000 31.70780  ? 24  TYR   A CG  1 
ATOM   141  C CD1 . TYR   A 1 27  ? 11.91700 -19.65762 3.02481  1.000 34.94683  ? 24  TYR   A CD1 1 
ATOM   142  C CD2 . TYR   A 1 27  ? 11.51136 -21.58355 4.38057  1.000 34.16603  ? 24  TYR   A CD2 1 
ATOM   143  C CE1 . TYR   A 1 27  ? 10.57162 -19.55603 2.75081  1.000 42.52709  ? 24  TYR   A CE1 1 
ATOM   144  C CE2 . TYR   A 1 27  ? 10.15389 -21.49719 4.10054  1.000 38.68828  ? 24  TYR   A CE2 1 
ATOM   145  C CZ  . TYR   A 1 27  ? 9.69142  -20.47301 3.29594  1.000 43.77735  ? 24  TYR   A CZ  1 
ATOM   146  O OH  . TYR   A 1 27  ? 8.34585  -20.36223 3.01107  1.000 47.62769  ? 24  TYR   A OH  1 
ATOM   147  N N   . PHE   A 1 28  ? 16.81564 -20.89056 2.57451  1.000 25.49606  ? 25  PHE   A N   1 
ATOM   148  C CA  . PHE   A 1 28  ? 18.27143 -20.88197 2.61528  1.000 25.62627  ? 25  PHE   A CA  1 
ATOM   149  C C   . PHE   A 1 28  ? 18.74818 -19.44917 2.79184  1.000 25.36513  ? 25  PHE   A C   1 
ATOM   150  O O   . PHE   A 1 28  ? 18.20886 -18.53734 2.16221  1.000 26.56761  ? 25  PHE   A O   1 
ATOM   151  C CB  . PHE   A 1 28  ? 18.85458 -21.47912 1.31299  1.000 26.76261  ? 25  PHE   A CB  1 
ATOM   152  C CG  . PHE   A 1 28  ? 20.35005 -21.37205 1.21499  1.000 28.03718  ? 25  PHE   A CG  1 
ATOM   153  C CD1 . PHE   A 1 28  ? 21.16913 -22.12442 2.06005  1.000 27.48636  ? 25  PHE   A CD1 1 
ATOM   154  C CD2 . PHE   A 1 28  ? 20.93974 -20.52115 0.29639  1.000 28.65559  ? 25  PHE   A CD2 1 
ATOM   155  C CE1 . PHE   A 1 28  ? 22.55263 -22.02824 1.98595  1.000 24.55968  ? 25  PHE   A CE1 1 
ATOM   156  C CE2 . PHE   A 1 28  ? 22.32708 -20.42642 0.20682  1.000 29.07428  ? 25  PHE   A CE2 1 
ATOM   157  C CZ  . PHE   A 1 28  ? 23.13401 -21.18007 1.06231  1.000 25.93846  ? 25  PHE   A CZ  1 
ATOM   158  N N   . ASN   A 1 29  ? 19.75292 -19.24491 3.64546  1.000 23.47267  ? 26  ASN   A N   1 
ATOM   159  C CA  . ASN   A 1 29  ? 20.34168 -17.92045 3.86182  1.000 24.55904  ? 26  ASN   A CA  1 
ATOM   160  C C   . ASN   A 1 29  ? 21.74946 -17.91725 3.27810  1.000 21.83823  ? 26  ASN   A C   1 
ATOM   161  O O   . ASN   A 1 29  ? 22.61754 -18.64871 3.74402  1.000 22.37731  ? 26  ASN   A O   1 
ATOM   162  C CB  . ASN   A 1 29  ? 20.35798 -17.55878 5.34600  1.000 25.39804  ? 26  ASN   A CB  1 
ATOM   163  C CG  . ASN   A 1 29  ? 20.75383 -16.11132 5.57903  1.000 27.68011  ? 26  ASN   A CG  1 
ATOM   164  O OD1 . ASN   A 1 29  ? 21.83500 -15.68430 5.17605  1.000 25.77129  ? 26  ASN   A OD1 1 
ATOM   165  N ND2 . ASN   A 1 29  ? 19.86300 -15.34132 6.19313  1.000 29.48433  ? 26  ASN   A ND2 1 
ATOM   166  N N   . HIS   A 1 30  ? 21.98069 -17.10740 2.24343  1.000 22.02322  ? 27  HIS   A N   1 
ATOM   167  C CA  . HIS   A 1 30  ? 23.27442 -17.17652 1.58269  1.000 22.60561  ? 27  HIS   A CA  1 
ATOM   168  C C   . HIS   A 1 30  ? 24.37863 -16.48933 2.37125  1.000 24.00569  ? 27  HIS   A C   1 
ATOM   169  O O   . HIS   A 1 30  ? 25.55330 -16.66476 2.03202  1.000 26.87696  ? 27  HIS   A O   1 
ATOM   170  C CB  . HIS   A 1 30  ? 23.18855 -16.57174 0.18475  1.000 23.52024  ? 27  HIS   A CB  1 
ATOM   171  C CG  . HIS   A 1 30  ? 23.03495 -15.08513 0.17752  1.000 27.94033  ? 27  HIS   A CG  1 
ATOM   172  N ND1 . HIS   A 1 30  ? 24.11503 -14.22594 0.17205  1.000 31.88294  ? 27  HIS   A ND1 1 
ATOM   173  C CD2 . HIS   A 1 30  ? 21.93037 -14.30403 0.13945  1.000 32.49054  ? 27  HIS   A CD2 1 
ATOM   174  C CE1 . HIS   A 1 30  ? 23.67950 -12.97969 0.15820  1.000 29.59928  ? 27  HIS   A CE1 1 
ATOM   175  N NE2 . HIS   A 1 30  ? 22.35816 -12.99884 0.13406  1.000 33.73747  ? 27  HIS   A NE2 1 
ATOM   176  N N   . ILE   A 1 31  ? 24.02874 -15.71633 3.39970  1.000 21.02402  ? 28  ILE   A N   1 
ATOM   177  C CA  . ILE   A 1 31  ? 25.03624 -15.04422 4.21592  1.000 22.45049  ? 28  ILE   A CA  1 
ATOM   178  C C   . ILE   A 1 31  ? 25.54709 -15.96533 5.31187  1.000 26.82792  ? 28  ILE   A C   1 
ATOM   179  O O   . ILE   A 1 31  ? 26.75263 -16.03771 5.57259  1.000 25.47181  ? 28  ILE   A O   1 
ATOM   180  C CB  . ILE   A 1 31  ? 24.46191 -13.75072 4.81628  1.000 26.83912  ? 28  ILE   A CB  1 
ATOM   181  C CG1 . ILE   A 1 31  ? 23.95232 -12.80722 3.72764  1.000 28.41040  ? 28  ILE   A CG1 1 
ATOM   182  C CG2 . ILE   A 1 31  ? 25.51267 -13.05159 5.69796  1.000 26.68269  ? 28  ILE   A CG2 1 
ATOM   183  C CD1 . ILE   A 1 31  ? 23.21908 -11.60058 4.28437  1.000 26.67404  ? 28  ILE   A CD1 1 
ATOM   184  N N   . THR   A 1 32  ? 24.64270 -16.67445 5.97338  1.000 23.80014  ? 29  THR   A N   1 
ATOM   185  C CA  . THR   A 1 32  ? 24.99780 -17.58576 7.04492  1.000 20.77481  ? 29  THR   A CA  1 
ATOM   186  C C   . THR   A 1 32  ? 25.13731 -19.02165 6.57308  1.000 23.83277  ? 29  THR   A C   1 
ATOM   187  O O   . THR   A 1 32  ? 25.64936 -19.85376 7.33176  1.000 22.28055  ? 29  THR   A O   1 
ATOM   188  C CB  . THR   A 1 32  ? 23.93463 -17.53987 8.13164  1.000 21.63732  ? 29  THR   A CB  1 
ATOM   189  O OG1 . THR   A 1 32  ? 22.71444 -18.05225 7.57454  1.000 22.36591  ? 29  THR   A OG1 1 
ATOM   190  C CG2 . THR   A 1 32  ? 23.71301 -16.10149 8.59261  1.000 23.08828  ? 29  THR   A CG2 1 
ATOM   191  N N   . ASN   A 1 33  ? 24.67123 -19.32679 5.35698  1.000 19.38748  ? 30  ASN   A N   1 
ATOM   192  C CA  . ASN   A 1 33  ? 24.59450 -20.68222 4.81567  1.000 21.12155  ? 30  ASN   A CA  1 
ATOM   193  C C   . ASN   A 1 33  ? 23.71280 -21.59213 5.67139  1.000 21.25149  ? 30  ASN   A C   1 
ATOM   194  O O   . ASN   A 1 33  ? 23.81221 -22.82080 5.59915  1.000 22.05770  ? 30  ASN   A O   1 
ATOM   195  C CB  . ASN   A 1 33  ? 25.98735 -21.27195 4.62847  1.000 20.55388  ? 30  ASN   A CB  1 
ATOM   196  C CG  . ASN   A 1 33  ? 26.76870 -20.54179 3.56065  1.000 25.70986  ? 30  ASN   A CG  1 
ATOM   197  O OD1 . ASN   A 1 33  ? 26.18910 -20.10956 2.54989  1.000 26.02493  ? 30  ASN   A OD1 1 
ATOM   198  N ND2 . ASN   A 1 33  ? 28.07902 -20.40014 3.76070  1.000 23.38840  ? 30  ASN   A ND2 1 
ATOM   199  N N   . ALA   A 1 34  ? 22.81245 -20.98857 6.44107  1.000 17.56360  ? 31  ALA   A N   1 
ATOM   200  C CA  . ALA   A 1 34  ? 21.76891 -21.73031 7.13184  1.000 19.36044  ? 31  ALA   A CA  1 
ATOM   201  C C   . ALA   A 1 34  ? 20.68565 -22.22366 6.17689  1.000 20.45599  ? 31  ALA   A C   1 
ATOM   202  O O   . ALA   A 1 34  ? 20.35260 -21.57122 5.19055  1.000 21.63969  ? 31  ALA   A O   1 
ATOM   203  C CB  . ALA   A 1 34  ? 21.12400 -20.83625 8.18844  1.000 22.76072  ? 31  ALA   A CB  1 
ATOM   204  N N   . SER   A 1 35  ? 20.08746 -23.36938 6.51008  1.000 19.99737  ? 32  SER   A N   1 
ATOM   205  C CA  . SER   A 1 35  ? 18.93681 -23.85231 5.76578  1.000 19.92366  ? 32  SER   A CA  1 
ATOM   206  C C   . SER   A 1 35  ? 17.95274 -24.50318 6.72749  1.000 24.32294  ? 32  SER   A C   1 
ATOM   207  O O   . SER   A 1 35  ? 18.34862 -25.10869 7.72638  1.000 23.25535  ? 32  SER   A O   1 
ATOM   208  C CB  . SER   A 1 35  ? 19.34428 -24.83716 4.66350  1.000 26.94039  ? 32  SER   A CB  1 
ATOM   209  O OG  . SER   A 1 35  ? 20.24302 -25.81192 5.15646  1.000 28.03019  ? 32  SER   A OG  1 
ATOM   210  N N   . GLN   A 1 36  ? 16.66796 -24.38459 6.40840  1.000 23.38543  ? 33  GLN   A N   1 
ATOM   211  C CA  . GLN   A 1 36  ? 15.61797 -24.86490 7.30142  1.000 24.72976  ? 33  GLN   A CA  1 
ATOM   212  C C   . GLN   A 1 36  ? 14.31491 -24.99519 6.52291  1.000 26.13903  ? 33  GLN   A C   1 
ATOM   213  O O   . GLN   A 1 36  ? 14.10744 -24.31403 5.52086  1.000 26.37849  ? 33  GLN   A O   1 
ATOM   214  C CB  . GLN   A 1 36  ? 15.44594 -23.91062 8.48520  1.000 24.18027  ? 33  GLN   A CB  1 
ATOM   215  C CG  . GLN   A 1 36  ? 14.95885 -22.53279 8.10080  1.000 29.32910  ? 33  GLN   A CG  1 
ATOM   216  C CD  . GLN   A 1 36  ? 14.89061 -21.58385 9.28464  1.000 36.18620  ? 33  GLN   A CD  1 
ATOM   217  O OE1 . GLN   A 1 36  ? 15.81469 -21.52168 10.09655 1.000 39.31447  ? 33  GLN   A OE1 1 
ATOM   218  N NE2 . GLN   A 1 36  ? 13.79557 -20.84034 9.38834  1.000 39.27805  ? 33  GLN   A NE2 1 
ATOM   219  N N   . TRP   A 1 37  ? 13.41695 -25.86361 7.01198  1.000 26.40140  ? 34  TRP   A N   1 
ATOM   220  C CA  . TRP   A 1 37  ? 12.11206 -26.01080 6.36529  1.000 24.78866  ? 34  TRP   A CA  1 
ATOM   221  C C   . TRP   A 1 37  ? 11.17571 -24.85784 6.69732  1.000 32.37398  ? 34  TRP   A C   1 
ATOM   222  O O   . TRP   A 1 37  ? 10.36642 -24.44862 5.85803  1.000 32.18438  ? 34  TRP   A O   1 
ATOM   223  C CB  . TRP   A 1 37  ? 11.44379 -27.32498 6.78637  1.000 28.38742  ? 34  TRP   A CB  1 
ATOM   224  C CG  . TRP   A 1 37  ? 12.20744 -28.54659 6.40232  1.000 31.08247  ? 34  TRP   A CG  1 
ATOM   225  C CD1 . TRP   A 1 37  ? 12.87232 -29.39701 7.23827  1.000 27.47524  ? 34  TRP   A CD1 1 
ATOM   226  C CD2 . TRP   A 1 37  ? 12.38952 -29.06036 5.07701  1.000 29.72843  ? 34  TRP   A CD2 1 
ATOM   227  N NE1 . TRP   A 1 37  ? 13.45218 -30.40856 6.51855  1.000 29.96854  ? 34  TRP   A NE1 1 
ATOM   228  C CE2 . TRP   A 1 37  ? 13.17705 -30.22395 5.18778  1.000 32.64259  ? 34  TRP   A CE2 1 
ATOM   229  C CE3 . TRP   A 1 37  ? 11.95695 -28.65154 3.80999  1.000 31.68263  ? 34  TRP   A CE3 1 
ATOM   230  C CZ2 . TRP   A 1 37  ? 13.54225 -30.98895 4.07964  1.000 35.62252  ? 34  TRP   A CZ2 1 
ATOM   231  C CZ3 . TRP   A 1 37  ? 12.32103 -29.40895 2.70862  1.000 31.92634  ? 34  TRP   A CZ3 1 
ATOM   232  C CH2 . TRP   A 1 37  ? 13.11530 -30.55811 2.84981  1.000 37.35878  ? 34  TRP   A CH2 1 
ATOM   233  N N   . GLU   A 1 38  ? 11.26132 -24.34208 7.92224  1.000 31.00547  ? 35  GLU   A N   1 
ATOM   234  C CA  . GLU   A 1 38  ? 10.29899 -23.37351 8.42435  1.000 36.29937  ? 35  GLU   A CA  1 
ATOM   235  C C   . GLU   A 1 38  ? 10.58741 -21.98522 7.86823  1.000 42.32518  ? 35  GLU   A C   1 
ATOM   236  O O   . GLU   A 1 38  ? 11.74952 -21.60120 7.69828  1.000 40.04854  ? 35  GLU   A O   1 
ATOM   237  C CB  . GLU   A 1 38  ? 10.34518 -23.35262 9.95606  1.000 46.69293  ? 35  GLU   A CB  1 
ATOM   238  C CG  . GLU   A 1 38  ? 10.07200 -24.71480 10.64035 1.000 39.48803  ? 35  GLU   A CG  1 
ATOM   239  C CD  . GLU   A 1 38  ? 11.26948 -25.67884 10.62165 1.000 44.07074  ? 35  GLU   A CD  1 
ATOM   240  O OE1 . GLU   A 1 38  ? 12.40849 -25.24779 10.30014 1.000 31.10407  ? 35  GLU   A OE1 1 
ATOM   241  O OE2 . GLU   A 1 38  ? 11.06376 -26.88277 10.92318 1.000 41.89895  ? 35  GLU   A OE2 1 
ATOM   242  N N   . ARG   A 1 39  ? 9.52781  -21.22494 7.59177  1.000 44.56544  ? 36  ARG   A N   1 
ATOM   243  C CA  . ARG   A 1 39  ? 9.71087  -19.88241 7.04431  1.000 48.24267  ? 36  ARG   A CA  1 
ATOM   244  C C   . ARG   A 1 39  ? 10.35094 -18.98523 8.09648  1.000 56.16944  ? 36  ARG   A C   1 
ATOM   245  O O   . ARG   A 1 39  ? 9.83357  -18.88175 9.21503  1.000 58.54244  ? 36  ARG   A O   1 
ATOM   246  C CB  . ARG   A 1 39  ? 8.38878  -19.28476 6.57262  1.000 54.62380  ? 36  ARG   A CB  1 
ATOM   247  C CG  . ARG   A 1 39  ? 8.56106  -18.08901 5.64398  1.000 52.22413  ? 36  ARG   A CG  1 
ATOM   248  C CD  . ARG   A 1 39  ? 7.22922  -17.57001 5.11616  1.000 59.20612  ? 36  ARG   A CD  1 
ATOM   249  N NE  . ARG   A 1 39  ? 7.23556  -17.40554 3.66446  1.000 61.03543  ? 36  ARG   A NE  1 
ATOM   250  C CZ  . ARG   A 1 39  ? 7.38261  -16.24586 3.03686  1.000 63.47065  ? 36  ARG   A CZ  1 
ATOM   251  N NH1 . ARG   A 1 39  ? 7.53123  -15.11244 3.70424  1.000 66.27568  ? 36  ARG   A NH1 1 
ATOM   252  N NH2 . ARG   A 1 39  ? 7.37633  -16.22188 1.70575  1.000 60.50650  ? 36  ARG   A NH2 1 
ATOM   253  N N   . PRO   A 1 40  ? 11.46732 -18.33190 7.78681  1.000 51.89365  ? 37  PRO   A N   1 
ATOM   254  C CA  . PRO   A 1 40  ? 12.20131 -17.60053 8.82250  1.000 59.18003  ? 37  PRO   A CA  1 
ATOM   255  C C   . PRO   A 1 40  ? 11.47854 -16.33201 9.25061  1.000 69.41881  ? 37  PRO   A C   1 
ATOM   256  O O   . PRO   A 1 40  ? 10.81173 -15.66387 8.45390  1.000 68.19549  ? 37  PRO   A O   1 
ATOM   257  C CB  . PRO   A 1 40  ? 13.53573 -17.27720 8.14191  1.000 47.57027  ? 37  PRO   A CB  1 
ATOM   258  C CG  . PRO   A 1 40  ? 13.20070 -17.21001 6.69623  1.000 47.26495  ? 37  PRO   A CG  1 
ATOM   259  C CD  . PRO   A 1 40  ? 12.11805 -18.23394 6.46905  1.000 47.56210  ? 37  PRO   A CD  1 
ATOM   260  N N   . SER   A 1 41  ? 11.62613 -16.00787 10.53368 1.000 89.21147  ? 38  SER   A N   1 
ATOM   261  C CA  . SER   A 1 41  ? 11.05951 -14.79333 11.11658 1.000 98.07384  ? 38  SER   A CA  1 
ATOM   262  C C   . SER   A 1 41  ? 11.56226 -14.62750 12.54475 1.000 97.28502  ? 38  SER   A C   1 
ATOM   263  O O   . SER   A 1 41  ? 11.53378 -15.57434 13.33228 1.000 94.44747  ? 38  SER   A O   1 
ATOM   264  C CB  . SER   A 1 41  ? 9.52717  -14.83152 11.09899 1.000 101.88754 ? 38  SER   A CB  1 
ATOM   265  O OG  . SER   A 1 41  ? 8.97840  -13.55880 11.39641 1.000 100.24290 ? 38  SER   A OG  1 
ATOM   266  N N   . GLU   A 1 54  ? 19.40327 -3.73364  13.06525 1.000 67.64943  ? 51  GLU   A N   1 
ATOM   267  C CA  . GLU   A 1 54  ? 20.58123 -4.53474  13.38499 1.000 62.56229  ? 51  GLU   A CA  1 
ATOM   268  C C   . GLU   A 1 54  ? 21.23300 -4.04266  14.67722 1.000 58.60228  ? 51  GLU   A C   1 
ATOM   269  O O   . GLU   A 1 54  ? 21.46816 -2.84440  14.84266 1.000 59.21980  ? 51  GLU   A O   1 
ATOM   270  C CB  . GLU   A 1 54  ? 21.58650 -4.50132  12.22738 1.000 59.92713  ? 51  GLU   A CB  1 
ATOM   271  C CG  . GLU   A 1 54  ? 22.91341 -5.18280  12.53327 1.000 53.99124  ? 51  GLU   A CG  1 
ATOM   272  C CD  . GLU   A 1 54  ? 23.89456 -5.10459  11.38184 1.000 45.39779  ? 51  GLU   A CD  1 
ATOM   273  O OE1 . GLU   A 1 54  ? 23.66908 -5.78007  10.35793 1.000 44.43019  ? 51  GLU   A OE1 1 
ATOM   274  O OE2 . GLU   A 1 54  ? 24.89109 -4.36083  11.50028 1.000 45.48709  ? 51  GLU   A OE2 1 
ATOM   275  N N   . PRO   A 1 55  ? 21.51614 -4.96768  15.59407 1.000 58.41850  ? 52  PRO   A N   1 
ATOM   276  C CA  . PRO   A 1 55  ? 22.08946 -4.57437  16.88632 1.000 56.13449  ? 52  PRO   A CA  1 
ATOM   277  C C   . PRO   A 1 55  ? 23.52268 -4.09069  16.74388 1.000 48.00671  ? 52  PRO   A C   1 
ATOM   278  O O   . PRO   A 1 55  ? 24.25619 -4.50049  15.83995 1.000 54.89098  ? 52  PRO   A O   1 
ATOM   279  C CB  . PRO   A 1 55  ? 22.02258 -5.86655  17.70982 1.000 56.21163  ? 52  PRO   A CB  1 
ATOM   280  C CG  . PRO   A 1 55  ? 22.05377 -6.95238  16.69329 1.000 51.21444  ? 52  PRO   A CG  1 
ATOM   281  C CD  . PRO   A 1 55  ? 21.31011 -6.42349  15.49728 1.000 55.07616  ? 52  PRO   A CD  1 
ATOM   282  N N   . ALA   A 1 56  ? 23.91958 -3.20817  17.66110 1.000 50.46665  ? 53  ALA   A N   1 
ATOM   283  C CA  . ALA   A 1 56  ? 25.28462 -2.69708  17.63993 1.000 45.95209  ? 53  ALA   A CA  1 
ATOM   284  C C   . ALA   A 1 56  ? 26.29542 -3.80280  17.90564 1.000 47.64345  ? 53  ALA   A C   1 
ATOM   285  O O   . ALA   A 1 56  ? 27.40102 -3.77887  17.35478 1.000 40.16370  ? 53  ALA   A O   1 
ATOM   286  C CB  . ALA   A 1 56  ? 25.44431 -1.56678  18.65506 1.000 50.90729  ? 53  ALA   A CB  1 
ATOM   287  N N   . ARG   A 1 57  ? 25.93594 -4.78527  18.73091 1.000 44.53926  ? 54  ARG   A N   1 
ATOM   288  C CA  . ARG   A 1 57  ? 26.84513 -5.86160  19.08777 1.000 33.66398  ? 54  ARG   A CA  1 
ATOM   289  C C   . ARG   A 1 57  ? 26.07210 -7.16739  19.16505 1.000 33.01970  ? 54  ARG   A C   1 
ATOM   290  O O   . ARG   A 1 57  ? 24.88048 -7.18570  19.48624 1.000 34.19260  ? 54  ARG   A O   1 
ATOM   291  C CB  . ARG   A 1 57  ? 27.55170 -5.60016  20.43135 1.000 39.88379  ? 54  ARG   A CB  1 
ATOM   292  C CG  . ARG   A 1 57  ? 28.38245 -4.32218  20.47632 1.000 46.34449  ? 54  ARG   A CG  1 
ATOM   293  C CD  . ARG   A 1 57  ? 28.96937 -4.09079  21.85204 1.000 49.57631  ? 54  ARG   A CD  1 
ATOM   294  N NE  . ARG   A 1 57  ? 30.12936 -4.93720  22.10772 1.000 53.73516  ? 54  ARG   A NE  1 
ATOM   295  C CZ  . ARG   A 1 57  ? 31.37692 -4.61271  21.78741 1.000 59.24950  ? 54  ARG   A CZ  1 
ATOM   296  N NH1 . ARG   A 1 57  ? 31.66050 -3.47566  21.16815 1.000 57.89997  ? 54  ARG   A NH1 1 
ATOM   297  N NH2 . ARG   A 1 57  ? 32.36578 -5.45037  22.09381 1.000 58.71795  ? 54  ARG   A NH2 1 
ATOM   298  N N   . VAL   A 1 58  ? 26.76047 -8.26174  18.84978 1.000 29.83707  ? 55  VAL   A N   1 
ATOM   299  C CA  . VAL   A 1 58  ? 26.22877 -9.60189  19.05361 1.000 25.64702  ? 55  VAL   A CA  1 
ATOM   300  C C   . VAL   A 1 58  ? 27.26646 -10.39374 19.82921 1.000 30.16043  ? 55  VAL   A C   1 
ATOM   301  O O   . VAL   A 1 58  ? 28.44735 -10.04082 19.87219 1.000 29.34031  ? 55  VAL   A O   1 
ATOM   302  C CB  . VAL   A 1 58  ? 25.88240 -10.31974 17.73003 1.000 26.41746  ? 55  VAL   A CB  1 
ATOM   303  C CG1 . VAL   A 1 58  ? 24.81670 -9.54269  16.97129 1.000 28.84573  ? 55  VAL   A CG1 1 
ATOM   304  C CG2 . VAL   A 1 58  ? 27.12651 -10.49712 16.89230 1.000 28.56605  ? 55  VAL   A CG2 1 
ATOM   305  N N   . ARG   A 1 59  ? 26.80444 -11.45483 20.48124 1.000 25.24929  ? 56  ARG   A N   1 
ATOM   306  C CA  . ARG   A 1 59  ? 27.69026 -12.41409 21.11907 1.000 24.22605  ? 56  ARG   A CA  1 
ATOM   307  C C   . ARG   A 1 59  ? 27.54858 -13.73254 20.38219 1.000 24.05729  ? 56  ARG   A C   1 
ATOM   308  O O   . ARG   A 1 59  ? 26.42753 -14.14846 20.08294 1.000 24.63420  ? 56  ARG   A O   1 
ATOM   309  C CB  . ARG   A 1 59  ? 27.34555 -12.60174 22.59522 1.000 27.25125  ? 56  ARG   A CB  1 
ATOM   310  C CG  . ARG   A 1 59  ? 28.28253 -13.55264 23.31530 1.000 27.15295  ? 56  ARG   A CG  1 
ATOM   311  C CD  . ARG   A 1 59  ? 27.87068 -13.69139 24.77060 1.000 30.18316  ? 56  ARG   A CD  1 
ATOM   312  N NE  . ARG   A 1 59  ? 28.80152 -14.50292 25.54298 1.000 31.23531  ? 56  ARG   A NE  1 
ATOM   313  C CZ  . ARG   A 1 59  ? 28.67523 -14.72275 26.84445 1.000 39.11024  ? 56  ARG   A CZ  1 
ATOM   314  N NH1 . ARG   A 1 59  ? 27.67691 -14.19704 27.53765 1.000 39.13003  ? 56  ARG   A NH1 1 
ATOM   315  N NH2 . ARG   A 1 59  ? 29.57027 -15.48715 27.46597 1.000 33.61843  ? 56  ARG   A NH2 1 
ATOM   316  N N   . CYS   A 1 60  ? 28.67493 -14.37809 20.07494 1.000 22.45232  ? 57  CYS   A N   1 
ATOM   317  C CA  . CYS   A 1 60  ? 28.63462 -15.65192 19.36751 1.000 20.12248  ? 57  CYS   A CA  1 
ATOM   318  C C   . CYS   A 1 60  ? 29.60610 -16.64584 19.97476 1.000 24.53672  ? 57  CYS   A C   1 
ATOM   319  O O   . CYS   A 1 60  ? 30.61166 -16.27419 20.58262 1.000 23.59209  ? 57  CYS   A O   1 
ATOM   320  C CB  . CYS   A 1 60  ? 28.98857 -15.51030 17.88698 1.000 21.06006  ? 57  CYS   A CB  1 
ATOM   321  S SG  . CYS   A 1 60  ? 27.79375 -14.52732 16.99920 1.000 24.42913  ? 57  CYS   A SG  1 
ATOM   322  N N   . SER   A 1 61  ? 29.29145 -17.92064 19.77714 1.000 23.14533  ? 58  SER   A N   1 
ATOM   323  C CA  . SER   A 1 61  ? 30.23829 -19.00776 19.94611 1.000 21.64329  ? 58  SER   A CA  1 
ATOM   324  C C   . SER   A 1 61  ? 30.52660 -19.59061 18.56932 1.000 21.91400  ? 58  SER   A C   1 
ATOM   325  O O   . SER   A 1 61  ? 29.75663 -19.40612 17.61843 1.000 21.21932  ? 58  SER   A O   1 
ATOM   326  C CB  . SER   A 1 61  ? 29.68724 -20.08830 20.88581 1.000 20.50428  ? 58  SER   A CB  1 
ATOM   327  O OG  . SER   A 1 61  ? 29.42653 -19.55070 22.18300 1.000 23.22667  ? 58  SER   A OG  1 
ATOM   328  N N   . HIS   A 1 62  ? 31.65501 -20.27748 18.44560 1.000 18.90132  ? 59  HIS   A N   1 
ATOM   329  C CA  . HIS   A 1 62  ? 31.90675 -20.93123 17.17356 1.000 19.78029  ? 59  HIS   A CA  1 
ATOM   330  C C   . HIS   A 1 62  ? 32.68084 -22.22301 17.38298 1.000 21.80493  ? 59  HIS   A C   1 
ATOM   331  O O   . HIS   A 1 62  ? 33.27184 -22.46429 18.43989 1.000 23.01533  ? 59  HIS   A O   1 
ATOM   332  C CB  . HIS   A 1 62  ? 32.65008 -19.99680 16.21086 1.000 20.69742  ? 59  HIS   A CB  1 
ATOM   333  C CG  . HIS   A 1 62  ? 34.09620 -19.82462 16.52967 1.000 20.83334  ? 59  HIS   A CG  1 
ATOM   334  N ND1 . HIS   A 1 62  ? 35.06646 -19.78690 15.55313 1.000 21.56958  ? 59  HIS   A ND1 1 
ATOM   335  C CD2 . HIS   A 1 62  ? 34.74371 -19.68483 17.71179 1.000 24.71151  ? 59  HIS   A CD2 1 
ATOM   336  C CE1 . HIS   A 1 62  ? 36.25083 -19.63504 16.11931 1.000 25.41783  ? 59  HIS   A CE1 1 
ATOM   337  N NE2 . HIS   A 1 62  ? 36.08063 -19.56215 17.42743 1.000 25.87288  ? 59  HIS   A NE2 1 
ATOM   338  N N   . LEU   A 1 63  ? 32.65498 -23.05469 16.34849 1.000 19.89760  ? 60  LEU   A N   1 
ATOM   339  C CA  . LEU   A 1 63  ? 33.44655 -24.27049 16.26052 1.000 19.41100  ? 60  LEU   A CA  1 
ATOM   340  C C   . LEU   A 1 63  ? 34.20094 -24.16119 14.95116 1.000 21.66040  ? 60  LEU   A C   1 
ATOM   341  O O   . LEU   A 1 63  ? 33.57937 -24.07899 13.89279 1.000 20.22072  ? 60  LEU   A O   1 
ATOM   342  C CB  . LEU   A 1 63  ? 32.56219 -25.51556 16.26727 1.000 19.33193  ? 60  LEU   A CB  1 
ATOM   343  C CG  . LEU   A 1 63  ? 33.16241 -26.92501 16.38145 1.000 21.52103  ? 60  LEU   A CG  1 
ATOM   344  C CD1 . LEU   A 1 63  ? 32.04167 -27.92119 16.74982 1.000 20.31235  ? 60  LEU   A CD1 1 
ATOM   345  C CD2 . LEU   A 1 63  ? 33.83938 -27.37581 15.09056 1.000 22.23240  ? 60  LEU   A CD2 1 
ATOM   346  N N   . LEU   A 1 64  ? 35.52147 -24.13705 15.02046 1.000 20.29782  ? 61  LEU   A N   1 
ATOM   347  C CA  . LEU   A 1 64  ? 36.36020 -23.98903 13.83516 1.000 20.66791  ? 61  LEU   A CA  1 
ATOM   348  C C   . LEU   A 1 64  ? 36.98912 -25.33130 13.50233 1.000 22.09452  ? 61  LEU   A C   1 
ATOM   349  O O   . LEU   A 1 64  ? 37.55030 -25.98039 14.38662 1.000 20.21267  ? 61  LEU   A O   1 
ATOM   350  C CB  . LEU   A 1 64  ? 37.45738 -22.95280 14.09881 1.000 20.52376  ? 61  LEU   A CB  1 
ATOM   351  C CG  . LEU   A 1 64  ? 38.54921 -22.80801 13.03723 1.000 20.44064  ? 61  LEU   A CG  1 
ATOM   352  C CD1 . LEU   A 1 64  ? 37.95353 -22.26910 11.75464 1.000 24.04554  ? 61  LEU   A CD1 1 
ATOM   353  C CD2 . LEU   A 1 64  ? 39.62534 -21.87250 13.56338 1.000 25.27918  ? 61  LEU   A CD2 1 
ATOM   354  N N   . VAL   A 1 65  ? 36.90978 -25.74572 12.23286 1.000 20.67922  ? 62  VAL   A N   1 
ATOM   355  C CA  . VAL   A 1 65  ? 37.71586 -26.85646 11.73923 1.000 21.15189  ? 62  VAL   A CA  1 
ATOM   356  C C   . VAL   A 1 65  ? 38.72785 -26.27085 10.77078 1.000 23.08592  ? 62  VAL   A C   1 
ATOM   357  O O   . VAL   A 1 65  ? 38.34840 -25.65422 9.76653  1.000 23.86668  ? 62  VAL   A O   1 
ATOM   358  C CB  . VAL   A 1 65  ? 36.86294 -27.93848 11.06179 1.000 21.04052  ? 62  VAL   A CB  1 
ATOM   359  C CG1 . VAL   A 1 65  ? 37.74248 -29.06017 10.55852 1.000 22.72433  ? 62  VAL   A CG1 1 
ATOM   360  C CG2 . VAL   A 1 65  ? 35.83244 -28.49140 12.03639 1.000 19.76074  ? 62  VAL   A CG2 1 
ATOM   361  N N   . LYS   A 1 66  ? 40.00679 -26.44373 11.07550 1.000 23.70282  ? 63  LYS   A N   1 
ATOM   362  C CA  . LYS   A 1 66  ? 41.04970 -25.96074 10.18964 1.000 22.89053  ? 63  LYS   A CA  1 
ATOM   363  C C   . LYS   A 1 66  ? 41.36471 -26.99195 9.10533  1.000 25.59217  ? 63  LYS   A C   1 
ATOM   364  O O   . LYS   A 1 66  ? 40.94300 -28.14979 9.15614  1.000 26.10936  ? 63  LYS   A O   1 
ATOM   365  C CB  . LYS   A 1 66  ? 42.30910 -25.61969 10.98388 1.000 25.30003  ? 63  LYS   A CB  1 
ATOM   366  C CG  . LYS   A 1 66  ? 42.16920 -24.36567 11.82464 1.000 24.31068  ? 63  LYS   A CG  1 
ATOM   367  C CD  . LYS   A 1 66  ? 43.50784 -23.97815 12.48310 1.000 28.85023  ? 63  LYS   A CD  1 
ATOM   368  C CE  . LYS   A 1 66  ? 43.40499 -22.61676 13.15609 1.000 35.81196  ? 63  LYS   A CE  1 
ATOM   369  N NZ  . LYS   A 1 66  ? 44.71999 -22.12684 13.66960 1.000 34.33709  ? 63  LYS   A NZ  1 
ATOM   370  N N   . HIS   A 1 67  ? 42.12490 -26.55464 8.10723  1.000 27.88047  ? 64  HIS   A N   1 
ATOM   371  C CA  . HIS   A 1 67  ? 42.56226 -27.44406 7.04504  1.000 29.17257  ? 64  HIS   A CA  1 
ATOM   372  C C   . HIS   A 1 67  ? 43.94854 -27.00855 6.59553  1.000 30.65856  ? 64  HIS   A C   1 
ATOM   373  O O   . HIS   A 1 67  ? 44.50078 -26.02016 7.08821  1.000 30.56335  ? 64  HIS   A O   1 
ATOM   374  C CB  . HIS   A 1 67  ? 41.56289 -27.45704 5.88339  1.000 29.08460  ? 64  HIS   A CB  1 
ATOM   375  C CG  . HIS   A 1 67  ? 41.20990 -26.09589 5.38111  1.000 28.27354  ? 64  HIS   A CG  1 
ATOM   376  N ND1 . HIS   A 1 67  ? 42.05893 -25.35575 4.58892  1.000 28.15699  ? 64  HIS   A ND1 1 
ATOM   377  C CD2 . HIS   A 1 67  ? 40.10939 -25.33114 5.57530  1.000 30.46584  ? 64  HIS   A CD2 1 
ATOM   378  C CE1 . HIS   A 1 67  ? 41.49184 -24.19763 4.30287  1.000 36.64297  ? 64  HIS   A CE1 1 
ATOM   379  N NE2 . HIS   A 1 67  ? 40.30980 -24.15629 4.88901  1.000 32.82060  ? 64  HIS   A NE2 1 
ATOM   380  N N   . SER   A 1 68  ? 44.50476 -27.74610 5.63377  1.000 31.89683  ? 65  SER   A N   1 
ATOM   381  C CA  . SER   A 1 68  ? 45.89878 -27.53284 5.26556  1.000 34.21512  ? 65  SER   A CA  1 
ATOM   382  C C   . SER   A 1 68  ? 46.15166 -26.14999 4.67177  1.000 36.07315  ? 65  SER   A C   1 
ATOM   383  O O   . SER   A 1 68  ? 47.30848 -25.71500 4.61879  1.000 38.83071  ? 65  SER   A O   1 
ATOM   384  C CB  . SER   A 1 68  ? 46.34803 -28.61439 4.28158  1.000 34.64994  ? 65  SER   A CB  1 
ATOM   385  O OG  . SER   A 1 68  ? 45.68259 -28.46009 3.03756  1.000 38.29192  ? 65  SER   A OG  1 
ATOM   386  N N   . GLN   A 1 69  ? 45.11266 -25.45147 4.21613  1.000 33.07126  ? 66  GLN   A N   1 
ATOM   387  C CA  . GLN   A 1 69  ? 45.27890 -24.11688 3.65344  1.000 37.07765  ? 66  GLN   A CA  1 
ATOM   388  C C   . GLN   A 1 69  ? 44.88969 -23.00738 4.63048  1.000 35.38672  ? 66  GLN   A C   1 
ATOM   389  O O   . GLN   A 1 69  ? 44.90613 -21.83279 4.25090  1.000 34.09503  ? 66  GLN   A O   1 
ATOM   390  C CB  . GLN   A 1 69  ? 44.47299 -23.98023 2.35808  1.000 37.66187  ? 66  GLN   A CB  1 
ATOM   391  C CG  . GLN   A 1 69  ? 44.90663 -24.91092 1.24360  1.000 41.33232  ? 66  GLN   A CG  1 
ATOM   392  C CD  . GLN   A 1 69  ? 44.14922 -24.63439 -0.05353 1.000 52.19023  ? 66  GLN   A CD  1 
ATOM   393  O OE1 . GLN   A 1 69  ? 44.39684 -23.62785 -0.72437 1.000 43.46735  ? 66  GLN   A OE1 1 
ATOM   394  N NE2 . GLN   A 1 69  ? 43.20384 -25.51475 -0.39543 1.000 52.91667  ? 66  GLN   A NE2 1 
ATOM   395  N N   . SER   A 1 70  ? 44.55362 -23.34488 5.87816  1.000 30.42058  ? 67  SER   A N   1 
ATOM   396  C CA  . SER   A 1 70  ? 44.32350 -22.31572 6.88602  1.000 30.27281  ? 67  SER   A CA  1 
ATOM   397  C C   . SER   A 1 70  ? 45.54823 -21.42086 7.02954  1.000 30.73879  ? 67  SER   A C   1 
ATOM   398  O O   . SER   A 1 70  ? 46.68504 -21.85259 6.82330  1.000 36.76792  ? 67  SER   A O   1 
ATOM   399  C CB  . SER   A 1 70  ? 43.99156 -22.94589 8.24268  1.000 26.58325  ? 67  SER   A CB  1 
ATOM   400  O OG  . SER   A 1 70  ? 42.75566 -23.63021 8.20036  1.000 26.27290  ? 67  SER   A OG  1 
ATOM   401  N N   . ARG   A 1 71  ? 45.30270 -20.15744 7.39140  1.000 35.79862  ? 68  ARG   A N   1 
ATOM   402  C CA  . ARG   A 1 71  ? 46.39292 -19.19161 7.54274  1.000 37.81638  ? 68  ARG   A CA  1 
ATOM   403  C C   . ARG   A 1 71  ? 47.46406 -19.70269 8.49947  1.000 42.47199  ? 68  ARG   A C   1 
ATOM   404  O O   . ARG   A 1 71  ? 48.66489 -19.55506 8.23502  1.000 42.10759  ? 68  ARG   A O   1 
ATOM   405  C CB  . ARG   A 1 71  ? 45.84643 -17.84248 8.02159  1.000 45.76879  ? 68  ARG   A CB  1 
ATOM   406  C CG  . ARG   A 1 71  ? 46.90664 -16.73594 8.07985  1.000 58.32773  ? 68  ARG   A CG  1 
ATOM   407  C CD  . ARG   A 1 71  ? 46.37346 -15.44644 8.71329  1.000 65.22400  ? 68  ARG   A CD  1 
ATOM   408  N NE  . ARG   A 1 71  ? 47.45708 -14.59903 9.20772  1.000 74.05129  ? 68  ARG   A NE  1 
ATOM   409  C CZ  . ARG   A 1 71  ? 48.01981 -13.60585 8.52839  1.000 68.99052  ? 68  ARG   A CZ  1 
ATOM   410  N NH1 . ARG   A 1 71  ? 47.61127 -13.27583 7.31305  1.000 69.23243  ? 68  ARG   A NH1 1 
ATOM   411  N NH2 . ARG   A 1 71  ? 49.01641 -12.92268 9.08514  1.000 65.55323  ? 68  ARG   A NH2 1 
ATOM   412  N N   . ARG   A 1 72  ? 47.05157 -20.29685 9.61839  1.000 41.10290  ? 69  ARG   A N   1 
ATOM   413  C CA  . ARG   A 1 72  ? 47.96043 -21.00392 10.52206 1.000 43.57838  ? 69  ARG   A CA  1 
ATOM   414  C C   . ARG   A 1 72  ? 47.44664 -22.42920 10.65180 1.000 35.40344  ? 69  ARG   A C   1 
ATOM   415  O O   . ARG   A 1 72  ? 46.50951 -22.68121 11.42702 1.000 35.19277  ? 69  ARG   A O   1 
ATOM   416  C CB  . ARG   A 1 72  ? 48.03515 -20.33134 11.89320 1.000 46.24955  ? 69  ARG   A CB  1 
ATOM   417  C CG  . ARG   A 1 72  ? 48.46614 -18.85526 11.89902 1.000 53.57367  ? 69  ARG   A CG  1 
ATOM   418  C CD  . ARG   A 1 72  ? 49.85054 -18.62343 11.30679 1.000 65.17310  ? 69  ARG   A CD  1 
ATOM   419  N NE  . ARG   A 1 72  ? 50.36548 -17.29131 11.61796 1.000 73.71184  ? 69  ARG   A NE  1 
ATOM   420  C CZ  . ARG   A 1 72  ? 50.46438 -16.29239 10.74824 1.000 71.76667  ? 69  ARG   A CZ  1 
ATOM   421  N NH1 . ARG   A 1 72  ? 50.11181 -16.43875 9.48047  1.000 64.80443  ? 69  ARG   A NH1 1 
ATOM   422  N NH2 . ARG   A 1 72  ? 50.93781 -15.11843 11.15929 1.000 74.21510  ? 69  ARG   A NH2 1 
ATOM   423  N N   . PRO   A 1 73  ? 47.99731 -23.38627 9.90506  1.000 36.78459  ? 70  PRO   A N   1 
ATOM   424  C CA  . PRO   A 1 73  ? 47.48697 -24.77213 9.93947  1.000 33.36028  ? 70  PRO   A CA  1 
ATOM   425  C C   . PRO   A 1 73  ? 47.99308 -25.54099 11.15449 1.000 37.28388  ? 70  PRO   A C   1 
ATOM   426  O O   . PRO   A 1 73  ? 48.73003 -26.52281 11.05470 1.000 36.73232  ? 70  PRO   A O   1 
ATOM   427  C CB  . PRO   A 1 73  ? 48.00144 -25.34864 8.61391  1.000 38.15938  ? 70  PRO   A CB  1 
ATOM   428  C CG  . PRO   A 1 73  ? 49.25527 -24.59100 8.34613  1.000 37.85633  ? 70  PRO   A CG  1 
ATOM   429  C CD  . PRO   A 1 73  ? 49.05958 -23.20835 8.90281  1.000 40.70304  ? 70  PRO   A CD  1 
ATOM   430  N N   . SER   A 1 74  ? 47.57870 -25.07345 12.33044 1.000 34.69923  ? 71  SER   A N   1 
ATOM   431  C CA  . SER   A 1 74  ? 48.00700 -25.60171 13.61766 1.000 32.02664  ? 71  SER   A CA  1 
ATOM   432  C C   . SER   A 1 74  ? 46.93176 -25.24441 14.62321 1.000 35.05758  ? 71  SER   A C   1 
ATOM   433  O O   . SER   A 1 74  ? 46.24729 -24.23126 14.46895 1.000 34.76291  ? 71  SER   A O   1 
ATOM   434  C CB  . SER   A 1 74  ? 49.35122 -25.00358 14.04858 1.000 34.62745  ? 71  SER   A CB  1 
ATOM   435  O OG  . SER   A 1 74  ? 49.93917 -25.72959 15.11470 1.000 40.68328  ? 71  SER   A OG  1 
ATOM   436  N N   . SER   A 1 75  ? 46.77749 -26.08399 15.64433 1.000 29.46298  ? 72  SER   A N   1 
ATOM   437  C CA  . SER   A 1 75  ? 45.84424 -25.78118 16.71946 1.000 32.46781  ? 72  SER   A CA  1 
ATOM   438  C C   . SER   A 1 75  ? 46.28337 -26.53899 17.96271 1.000 31.95314  ? 72  SER   A C   1 
ATOM   439  O O   . SER   A 1 75  ? 47.21458 -27.34357 17.92431 1.000 32.98320  ? 72  SER   A O   1 
ATOM   440  C CB  . SER   A 1 75  ? 44.41340 -26.16101 16.33578 1.000 33.60318  ? 72  SER   A CB  1 
ATOM   441  O OG  . SER   A 1 75  ? 44.22607 -27.55457 16.48446 1.000 29.86468  ? 72  SER   A OG  1 
ATOM   442  N N   . TRP   A 1 76  ? 45.57317 -26.29309 19.07071 1.000 32.21578  ? 73  TRP   A N   1 
ATOM   443  C CA  . TRP   A 1 76  ? 45.82183 -27.06803 20.27901 1.000 28.72953  ? 73  TRP   A CA  1 
ATOM   444  C C   . TRP   A 1 76  ? 45.57708 -28.55254 20.05933 1.000 32.93309  ? 73  TRP   A C   1 
ATOM   445  O O   . TRP   A 1 76  ? 46.12620 -29.37110 20.79841 1.000 32.80240  ? 73  TRP   A O   1 
ATOM   446  C CB  . TRP   A 1 76  ? 44.94552 -26.56819 21.43189 1.000 30.25100  ? 73  TRP   A CB  1 
ATOM   447  C CG  . TRP   A 1 76  ? 43.47867 -26.88295 21.27526 1.000 30.41854  ? 73  TRP   A CG  1 
ATOM   448  C CD1 . TRP   A 1 76  ? 42.54346 -26.12592 20.62340 1.000 27.68747  ? 73  TRP   A CD1 1 
ATOM   449  C CD2 . TRP   A 1 76  ? 42.77806 -28.03199 21.78659 1.000 29.86833  ? 73  TRP   A CD2 1 
ATOM   450  N NE1 . TRP   A 1 76  ? 41.30803 -26.73188 20.70023 1.000 28.86222  ? 73  TRP   A NE1 1 
ATOM   451  C CE2 . TRP   A 1 76  ? 41.42894 -27.90399 21.40169 1.000 26.99274  ? 73  TRP   A CE2 1 
ATOM   452  C CE3 . TRP   A 1 76  ? 43.16385 -29.16047 22.52095 1.000 30.46706  ? 73  TRP   A CE3 1 
ATOM   453  C CZ2 . TRP   A 1 76  ? 40.46088 -28.85393 21.74076 1.000 29.48056  ? 73  TRP   A CZ2 1 
ATOM   454  C CZ3 . TRP   A 1 76  ? 42.20392 -30.10610 22.84601 1.000 33.38907  ? 73  TRP   A CZ3 1 
ATOM   455  C CH2 . TRP   A 1 76  ? 40.86989 -29.94850 22.45067 1.000 31.46967  ? 73  TRP   A CH2 1 
ATOM   456  N N   . ARG   A 1 77  ? 44.78477 -28.91687 19.04585 1.000 29.44765  ? 74  ARG   A N   1 
ATOM   457  C CA  . ARG   A 1 77  ? 44.48630 -30.31907 18.79437 1.000 29.29991  ? 74  ARG   A CA  1 
ATOM   458  C C   . ARG   A 1 77  ? 45.59490 -31.01029 18.01529 1.000 35.34043  ? 74  ARG   A C   1 
ATOM   459  O O   . ARG   A 1 77  ? 45.76280 -32.22829 18.13797 1.000 36.54369  ? 74  ARG   A O   1 
ATOM   460  C CB  . ARG   A 1 77  ? 43.17307 -30.45484 18.01314 1.000 28.97004  ? 74  ARG   A CB  1 
ATOM   461  C CG  . ARG   A 1 77  ? 41.98769 -29.73440 18.62724 1.000 27.75264  ? 74  ARG   A CG  1 
ATOM   462  C CD  . ARG   A 1 77  ? 40.68929 -30.25558 18.04477 1.000 29.43644  ? 74  ARG   A CD  1 
ATOM   463  N NE  . ARG   A 1 77  ? 40.55638 -31.68388 18.29679 1.000 30.82794  ? 74  ARG   A NE  1 
ATOM   464  C CZ  . ARG   A 1 77  ? 40.10536 -32.56769 17.41831 1.000 29.35866  ? 74  ARG   A CZ  1 
ATOM   465  N NH1 . ARG   A 1 77  ? 39.70234 -32.20224 16.21110 1.000 32.50217  ? 74  ARG   A NH1 1 
ATOM   466  N NH2 . ARG   A 1 77  ? 40.07025 -33.85102 17.75418 1.000 33.71357  ? 74  ARG   A NH2 1 
ATOM   467  N N   . GLN   A 1 78  ? 46.34745 -30.25667 17.21784 1.000 33.32812  ? 75  GLN   A N   1 
ATOM   468  C CA  . GLN   A 1 78  ? 47.23452 -30.84009 16.21692 1.000 37.06557  ? 75  GLN   A CA  1 
ATOM   469  C C   . GLN   A 1 78  ? 48.31392 -29.83166 15.87733 1.000 40.11149  ? 75  GLN   A C   1 
ATOM   470  O O   . GLN   A 1 78  ? 47.98902 -28.72737 15.43652 1.000 33.72231  ? 75  GLN   A O   1 
ATOM   471  C CB  . GLN   A 1 78  ? 46.44816 -31.17816 14.96845 1.000 38.33319  ? 75  GLN   A CB  1 
ATOM   472  C CG  . GLN   A 1 78  ? 46.22771 -32.62354 14.70192 1.000 50.41871  ? 75  GLN   A CG  1 
ATOM   473  C CD  . GLN   A 1 78  ? 45.66111 -32.81871 13.31929 1.000 41.91985  ? 75  GLN   A CD  1 
ATOM   474  O OE1 . GLN   A 1 78  ? 44.80305 -32.05284 12.87883 1.000 36.37557  ? 75  GLN   A OE1 1 
ATOM   475  N NE2 . GLN   A 1 78  ? 46.16479 -33.81644 12.60871 1.000 44.77101  ? 75  GLN   A NE2 1 
ATOM   476  N N   . GLU   A 1 79  ? 49.58842 -30.20932 16.03510 1.000 36.10929  ? 76  GLU   A N   1 
ATOM   477  C CA  . GLU   A 1 79  ? 50.65517 -29.26748 15.71045 1.000 35.22218  ? 76  GLU   A CA  1 
ATOM   478  C C   . GLU   A 1 79  ? 50.69047 -28.96202 14.21932 1.000 38.14458  ? 76  GLU   A C   1 
ATOM   479  O O   . GLU   A 1 79  ? 50.93903 -27.81939 13.82157 1.000 36.11149  ? 76  GLU   A O   1 
ATOM   480  C CB  . GLU   A 1 79  ? 52.01424 -29.80189 16.17416 1.000 38.97093  ? 76  GLU   A CB  1 
ATOM   481  C CG  . GLU   A 1 79  ? 53.14834 -28.81879 15.93598 1.000 42.16669  ? 76  GLU   A CG  1 
ATOM   482  C CD  . GLU   A 1 79  ? 54.41014 -29.19190 16.67774 1.000 39.89164  ? 76  GLU   A CD  1 
ATOM   483  O OE1 . GLU   A 1 79  ? 54.52127 -30.35423 17.11114 1.000 40.37979  ? 76  GLU   A OE1 1 
ATOM   484  O OE2 . GLU   A 1 79  ? 55.28762 -28.32001 16.83356 1.000 44.27219  ? 76  GLU   A OE2 1 
ATOM   485  N N   . LYS   A 1 80  ? 50.46780 -29.96520 13.37963 1.000 36.70350  ? 77  LYS   A N   1 
ATOM   486  C CA  . LYS   A 1 80  ? 50.38832 -29.76291 11.93626 1.000 35.95160  ? 77  LYS   A CA  1 
ATOM   487  C C   . LYS   A 1 80  ? 49.04355 -30.28776 11.45328 1.000 39.21049  ? 77  LYS   A C   1 
ATOM   488  O O   . LYS   A 1 80  ? 48.78841 -31.49662 11.48923 1.000 40.24215  ? 77  LYS   A O   1 
ATOM   489  C CB  . LYS   A 1 80  ? 51.54028 -30.45228 11.21446 1.000 36.89710  ? 77  LYS   A CB  1 
ATOM   490  C CG  . LYS   A 1 80  ? 51.67925 -30.01872 9.76972  1.000 42.71749  ? 77  LYS   A CG  1 
ATOM   491  C CD  . LYS   A 1 80  ? 52.78703 -30.79179 9.07905  1.000 43.81850  ? 77  LYS   A CD  1 
ATOM   492  C CE  . LYS   A 1 80  ? 53.01918 -30.29450 7.65848  1.000 52.67566  ? 77  LYS   A CE  1 
ATOM   493  N NZ  . LYS   A 1 80  ? 53.56851 -28.91084 7.62578  1.000 55.21181  ? 77  LYS   A NZ  1 
ATOM   494  N N   . ILE   A 1 81  ? 48.18924 -29.38512 11.00051 1.000 32.98738  ? 78  ILE   A N   1 
ATOM   495  C CA  . ILE   A 1 81  ? 46.88523 -29.76688 10.48294 1.000 30.48447  ? 78  ILE   A CA  1 
ATOM   496  C C   . ILE   A 1 81  ? 47.03327 -30.08385 9.00279  1.000 37.80985  ? 78  ILE   A C   1 
ATOM   497  O O   . ILE   A 1 81  ? 47.46517 -29.23591 8.21369  1.000 34.34587  ? 78  ILE   A O   1 
ATOM   498  C CB  . ILE   A 1 81  ? 45.84929 -28.67032 10.73112 1.000 36.30100  ? 78  ILE   A CB  1 
ATOM   499  C CG1 . ILE   A 1 81  ? 45.64762 -28.56175 12.24275 1.000 34.75520  ? 78  ILE   A CG1 1 
ATOM   500  C CG2 . ILE   A 1 81  ? 44.55820 -28.99239 9.99245  1.000 31.68066  ? 78  ILE   A CG2 1 
ATOM   501  C CD1 . ILE   A 1 81  ? 44.51770 -27.70742 12.66456 1.000 33.69475  ? 78  ILE   A CD1 1 
ATOM   502  N N   . THR   A 1 82  ? 46.68137 -31.31409 8.63617  1.000 35.83487  ? 79  THR   A N   1 
ATOM   503  C CA  . THR   A 1 82  ? 46.93101 -31.84491 7.30967  1.000 34.85682  ? 79  THR   A CA  1 
ATOM   504  C C   . THR   A 1 82  ? 45.66682 -32.14071 6.52016  1.000 32.42547  ? 79  THR   A C   1 
ATOM   505  O O   . THR   A 1 82  ? 45.76414 -32.39386 5.31346  1.000 37.29135  ? 79  THR   A O   1 
ATOM   506  C CB  . THR   A 1 82  ? 47.75640 -33.13594 7.40888  1.000 38.46677  ? 79  THR   A CB  1 
ATOM   507  O OG1 . THR   A 1 82  ? 47.07525 -34.05995 8.26458  1.000 43.07781  ? 79  THR   A OG1 1 
ATOM   508  C CG2 . THR   A 1 82  ? 49.12217 -32.84580 7.99904  1.000 40.30479  ? 79  THR   A CG2 1 
ATOM   509  N N   . ARG   A 1 83  ? 44.49610 -32.13198 7.15536  1.000 36.42335  ? 80  ARG   A N   1 
ATOM   510  C CA  . ARG   A 1 83  ? 43.27539 -32.48700 6.44391  1.000 31.35728  ? 80  ARG   A CA  1 
ATOM   511  C C   . ARG   A 1 83  ? 43.00740 -31.48685 5.32564  1.000 33.00310  ? 80  ARG   A C   1 
ATOM   512  O O   . ARG   A 1 83  ? 43.38259 -30.31357 5.40857  1.000 31.23999  ? 80  ARG   A O   1 
ATOM   513  C CB  . ARG   A 1 83  ? 42.08833 -32.55260 7.40825  1.000 31.46681  ? 80  ARG   A CB  1 
ATOM   514  C CG  . ARG   A 1 83  ? 41.64171 -31.21306 7.95546  1.000 28.92826  ? 80  ARG   A CG  1 
ATOM   515  C CD  . ARG   A 1 83  ? 40.38745 -31.35141 8.79025  1.000 25.48142  ? 80  ARG   A CD  1 
ATOM   516  N NE  . ARG   A 1 83  ? 40.64191 -32.02236 10.06173 1.000 27.36787  ? 80  ARG   A NE  1 
ATOM   517  C CZ  . ARG   A 1 83  ? 40.96655 -31.38861 11.18047 1.000 29.39243  ? 80  ARG   A CZ  1 
ATOM   518  N NH1 . ARG   A 1 83  ? 41.10856 -30.07161 11.21158 1.000 24.99858  ? 80  ARG   A NH1 1 
ATOM   519  N NH2 . ARG   A 1 83  ? 41.15327 -32.09073 12.29654 1.000 30.03477  ? 80  ARG   A NH2 1 
ATOM   520  N N   . THR   A 1 84  ? 42.38520 -31.97352 4.25100  1.000 29.04235  ? 81  THR   A N   1 
ATOM   521  C CA  . THR   A 1 84  ? 42.06575 -31.11597 3.12399  1.000 30.98096  ? 81  THR   A CA  1 
ATOM   522  C C   . THR   A 1 84  ? 40.86798 -30.24084 3.46160  1.000 30.06383  ? 81  THR   A C   1 
ATOM   523  O O   . THR   A 1 84  ? 40.10592 -30.51943 4.38761  1.000 27.97781  ? 81  THR   A O   1 
ATOM   524  C CB  . THR   A 1 84  ? 41.77042 -31.93896 1.86347  1.000 35.13916  ? 81  THR   A CB  1 
ATOM   525  O OG1 . THR   A 1 84  ? 40.53306 -32.64947 2.01912  1.000 32.67547  ? 81  THR   A OG1 1 
ATOM   526  C CG2 . THR   A 1 84  ? 42.88635 -32.93338 1.60221  1.000 37.58519  ? 81  THR   A CG2 1 
ATOM   527  N N   . LYS   A 1 85  ? 40.71221 -29.16163 2.69733  1.000 30.10255  ? 82  LYS   A N   1 
ATOM   528  C CA  . LYS   A 1 85  ? 39.54299 -28.30784 2.87953  1.000 29.37818  ? 82  LYS   A CA  1 
ATOM   529  C C   . LYS   A 1 85  ? 38.25352 -29.10679 2.71675  1.000 26.44086  ? 82  LYS   A C   1 
ATOM   530  O O   . LYS   A 1 85  ? 37.27430 -28.88331 3.43935  1.000 27.74284  ? 82  LYS   A O   1 
ATOM   531  C CB  . LYS   A 1 85  ? 39.59059 -27.14950 1.87891  1.000 35.98928  ? 82  LYS   A CB  1 
ATOM   532  C CG  . LYS   A 1 85  ? 38.38227 -26.21922 1.98630  1.000 40.20270  ? 82  LYS   A CG  1 
ATOM   533  C CD  . LYS   A 1 85  ? 38.40639 -25.15120 0.90782  1.000 42.68260  ? 82  LYS   A CD  1 
ATOM   534  C CE  . LYS   A 1 85  ? 39.56941 -24.20232 1.10951  1.000 48.13425  ? 82  LYS   A CE  1 
ATOM   535  N NZ  . LYS   A 1 85  ? 39.69708 -23.25747 -0.03605 1.000 48.09942  ? 82  LYS   A NZ  1 
ATOM   536  N N   . GLU   A 1 86  ? 38.24668 -30.05345 1.77774  1.000 31.09349  ? 83  GLU   A N   1 
ATOM   537  C CA  . GLU   A 1 86  ? 37.07533 -30.89142 1.55745  1.000 26.75993  ? 83  GLU   A CA  1 
ATOM   538  C C   . GLU   A 1 86  ? 36.80799 -31.78341 2.76164  1.000 25.90107  ? 83  GLU   A C   1 
ATOM   539  O O   . GLU   A 1 86  ? 35.65042 -31.97472 3.15686  1.000 24.48826  ? 83  GLU   A O   1 
ATOM   540  C CB  . GLU   A 1 86  ? 37.27870 -31.72723 0.28890  1.000 29.86002  ? 83  GLU   A CB  1 
ATOM   541  C CG  . GLU   A 1 86  ? 37.30548 -30.91726 -1.02244 1.000 41.05630  ? 83  GLU   A CG  1 
ATOM   542  C CD  . GLU   A 1 86  ? 38.56480 -30.03981 -1.23525 1.000 49.27412  ? 83  GLU   A CD  1 
ATOM   543  O OE1 . GLU   A 1 86  ? 39.67896 -30.39101 -0.75774 1.000 40.95186  ? 83  GLU   A OE1 1 
ATOM   544  O OE2 . GLU   A 1 86  ? 38.42657 -28.97831 -1.89955 1.000 55.02361  ? 83  GLU   A OE2 1 
ATOM   545  N N   . GLU   A 1 87  ? 37.87106 -32.31279 3.37653  1.000 27.59390  ? 84  GLU   A N   1 
ATOM   546  C CA  . GLU   A 1 87  ? 37.71040 -33.13173 4.57604  1.000 26.76620  ? 84  GLU   A CA  1 
ATOM   547  C C   . GLU   A 1 87  ? 37.21839 -32.29774 5.74941  1.000 28.85478  ? 84  GLU   A C   1 
ATOM   548  O O   . GLU   A 1 87  ? 36.42228 -32.77086 6.57253  1.000 26.25354  ? 84  GLU   A O   1 
ATOM   549  C CB  . GLU   A 1 87  ? 39.03803 -33.82089 4.91237  1.000 29.95547  ? 84  GLU   A CB  1 
ATOM   550  C CG  . GLU   A 1 87  ? 39.36687 -34.95385 3.94565  1.000 33.08450  ? 84  GLU   A CG  1 
ATOM   551  C CD  . GLU   A 1 87  ? 40.80658 -35.43836 4.02140  1.000 36.63755  ? 84  GLU   A CD  1 
ATOM   552  O OE1 . GLU   A 1 87  ? 41.64330 -34.76913 4.65771  1.000 34.42806  ? 84  GLU   A OE1 1 
ATOM   553  O OE2 . GLU   A 1 87  ? 41.10235 -36.49315 3.42241  1.000 39.85506  ? 84  GLU   A OE2 1 
ATOM   554  N N   . ALA   A 1 88  ? 37.68074 -31.05099 5.84301  1.000 23.42248  ? 85  ALA   A N   1 
ATOM   555  C CA  . ALA   A 1 88  ? 37.20809 -30.17132 6.89910  1.000 22.01967  ? 85  ALA   A CA  1 
ATOM   556  C C   . ALA   A 1 88  ? 35.72830 -29.87459 6.73871  1.000 23.28935  ? 85  ALA   A C   1 
ATOM   557  O O   . ALA   A 1 88  ? 34.98643 -29.83436 7.73103  1.000 23.66847  ? 85  ALA   A O   1 
ATOM   558  C CB  . ALA   A 1 88  ? 38.02522 -28.87873 6.90715  1.000 25.64555  ? 85  ALA   A CB  1 
ATOM   559  N N   . LEU   A 1 89  ? 35.28102 -29.65036 5.49738  1.000 23.39719  ? 86  LEU   A N   1 
ATOM   560  C CA  . LEU   A 1 89  ? 33.86592 -29.39038 5.27678  1.000 21.76743  ? 86  LEU   A CA  1 
ATOM   561  C C   . LEU   A 1 89  ? 33.02711 -30.59708 5.66982  1.000 23.02407  ? 86  LEU   A C   1 
ATOM   562  O O   . LEU   A 1 89  ? 31.95786 -30.44481 6.26633  1.000 23.37388  ? 86  LEU   A O   1 
ATOM   563  C CB  . LEU   A 1 89  ? 33.61719 -29.01742 3.81531  1.000 23.17926  ? 86  LEU   A CB  1 
ATOM   564  C CG  . LEU   A 1 89  ? 32.17148 -28.67134 3.45941  1.000 23.04071  ? 86  LEU   A CG  1 
ATOM   565  C CD1 . LEU   A 1 89  ? 31.63095 -27.56309 4.35487  1.000 23.64097  ? 86  LEU   A CD1 1 
ATOM   566  C CD2 . LEU   A 1 89  ? 32.11258 -28.24771 2.00424  1.000 26.22989  ? 86  LEU   A CD2 1 
ATOM   567  N N   . GLU   A 1 90  ? 33.49341 -31.80840 5.34602  1.000 23.44202  ? 87  GLU   A N   1 
ATOM   568  C CA  . GLU   A 1 90  ? 32.73293 -32.99101 5.74349  1.000 23.74184  ? 87  GLU   A CA  1 
ATOM   569  C C   . GLU   A 1 90  ? 32.63191 -33.09952 7.25981  1.000 26.40947  ? 87  GLU   A C   1 
ATOM   570  O O   . GLU   A 1 90  ? 31.57450 -33.46775 7.78656  1.000 25.38676  ? 87  GLU   A O   1 
ATOM   571  C CB  . GLU   A 1 90  ? 33.33855 -34.25929 5.13721  1.000 29.62987  ? 87  GLU   A CB  1 
ATOM   572  C CG  . GLU   A 1 90  ? 32.75082 -34.57313 3.76735  1.000 42.72273  ? 87  GLU   A CG  1 
ATOM   573  C CD  . GLU   A 1 90  ? 31.22390 -34.42777 3.75778  1.000 47.66344  ? 87  GLU   A CD  1 
ATOM   574  O OE1 . GLU   A 1 90  ? 30.54696 -35.17489 4.50560  1.000 49.94488  ? 87  GLU   A OE1 1 
ATOM   575  O OE2 . GLU   A 1 90  ? 30.70622 -33.54153 3.03310  1.000 51.42533  ? 87  GLU   A OE2 1 
ATOM   576  N N   . LEU   A 1 91  ? 33.70227 -32.74899 7.98512  1.000 21.47616  ? 88  LEU   A N   1 
ATOM   577  C CA  . LEU   A 1 91  ? 33.63197 -32.75580 9.44700  1.000 20.28688  ? 88  LEU   A CA  1 
ATOM   578  C C   . LEU   A 1 91  ? 32.60009 -31.75715 9.94789  1.000 21.32914  ? 88  LEU   A C   1 
ATOM   579  O O   . LEU   A 1 91  ? 31.77954 -32.06969 10.82867 1.000 21.12136  ? 88  LEU   A O   1 
ATOM   580  C CB  . LEU   A 1 91  ? 35.00718 -32.43390 10.03477 1.000 21.31868  ? 88  LEU   A CB  1 
ATOM   581  C CG  . LEU   A 1 91  ? 36.01005 -33.57337 9.88879  1.000 26.52081  ? 88  LEU   A CG  1 
ATOM   582  C CD1 . LEU   A 1 91  ? 37.42203 -33.07953 10.14847 1.000 25.69902  ? 88  LEU   A CD1 1 
ATOM   583  C CD2 . LEU   A 1 91  ? 35.63958 -34.67950 10.86473 1.000 28.16296  ? 88  LEU   A CD2 1 
ATOM   584  N N   . ILE   A 1 92  ? 32.63504 -30.54238 9.39413  1.000 20.37895  ? 89  ILE   A N   1 
ATOM   585  C CA  . ILE   A 1 92  ? 31.67637 -29.49940 9.75895  1.000 19.84453  ? 89  ILE   A CA  1 
ATOM   586  C C   . ILE   A 1 92  ? 30.25035 -29.97442 9.49190  1.000 18.43590  ? 89  ILE   A C   1 
ATOM   587  O O   . ILE   A 1 92  ? 29.35839 -29.85219 10.34428 1.000 20.03719  ? 89  ILE   A O   1 
ATOM   588  C CB  . ILE   A 1 92  ? 32.00101 -28.20365 8.99147  1.000 20.12876  ? 89  ILE   A CB  1 
ATOM   589  C CG1 . ILE   A 1 92  ? 33.23425 -27.52523 9.59643  1.000 22.28801  ? 89  ILE   A CG1 1 
ATOM   590  C CG2 . ILE   A 1 92  ? 30.80476 -27.26910 8.98590  1.000 21.38964  ? 89  ILE   A CG2 1 
ATOM   591  C CD1 . ILE   A 1 92  ? 32.90438 -26.68857 10.83374 1.000 18.76040  ? 89  ILE   A CD1 1 
ATOM   592  N N   . ASN   A 1 93  ? 30.02282 -30.56974 8.32310  1.000 19.98207  ? 90  ASN   A N   1 
ATOM   593  C CA  . ASN   A 1 93  ? 28.68924 -31.05995 7.98947  1.000 19.52236  ? 90  ASN   A CA  1 
ATOM   594  C C   . ASN   A 1 93  ? 28.20976 -32.08909 9.00381  1.000 21.94536  ? 90  ASN   A C   1 
ATOM   595  O O   . ASN   A 1 93  ? 27.03808 -32.08534 9.39821  1.000 23.28625  ? 90  ASN   A O   1 
ATOM   596  C CB  . ASN   A 1 93  ? 28.69209 -31.66400 6.58625  1.000 22.84986  ? 90  ASN   A CB  1 
ATOM   597  C CG  . ASN   A 1 93  ? 28.72722 -30.60456 5.49651  1.000 24.42760  ? 90  ASN   A CG  1 
ATOM   598  O OD1 . ASN   A 1 93  ? 28.34747 -29.45097 5.72702  1.000 28.08242  ? 90  ASN   A OD1 1 
ATOM   599  N ND2 . ASN   A 1 93  ? 29.14111 -31.00257 4.29586  1.000 29.77270  ? 90  ASN   A ND2 1 
ATOM   600  N N   . GLY   A 1 94  ? 29.09905 -32.98363 9.42681  1.000 21.93878  ? 91  GLY   A N   1 
ATOM   601  C CA  . GLY   A 1 94  ? 28.71208 -33.99177 10.40035 1.000 23.26978  ? 91  GLY   A CA  1 
ATOM   602  C C   . GLY   A 1 94  ? 28.39775 -33.39981 11.76051 1.000 23.88784  ? 91  GLY   A C   1 
ATOM   603  O O   . GLY   A 1 94  ? 27.46770 -33.84476 12.44362 1.000 24.88943  ? 91  GLY   A O   1 
ATOM   604  N N   . TYR   A 1 95  ? 29.16315 -32.38991 12.17949 1.000 21.01189  ? 92  TYR   A N   1 
ATOM   605  C CA  . TYR   A 1 95  ? 28.84578 -31.73483 13.44561 1.000 19.91412  ? 92  TYR   A CA  1 
ATOM   606  C C   . TYR   A 1 95  ? 27.49626 -31.04293 13.37492 1.000 20.14849  ? 92  TYR   A C   1 
ATOM   607  O O   . TYR   A 1 95  ? 26.69536 -31.13539 14.30812 1.000 20.92067  ? 92  TYR   A O   1 
ATOM   608  C CB  . TYR   A 1 95  ? 29.92277 -30.71965 13.80926 1.000 20.02474  ? 92  TYR   A CB  1 
ATOM   609  C CG  . TYR   A 1 95  ? 31.27339 -31.31729 14.04996 1.000 19.65353  ? 92  TYR   A CG  1 
ATOM   610  C CD1 . TYR   A 1 95  ? 31.41145 -32.54479 14.67881 1.000 21.75246  ? 92  TYR   A CD1 1 
ATOM   611  C CD2 . TYR   A 1 95  ? 32.42471 -30.63253 13.68010 1.000 19.77581  ? 92  TYR   A CD2 1 
ATOM   612  C CE1 . TYR   A 1 95  ? 32.67561 -33.09164 14.90354 1.000 23.55213  ? 92  TYR   A CE1 1 
ATOM   613  C CE2 . TYR   A 1 95  ? 33.68060 -31.16839 13.91158 1.000 21.21908  ? 92  TYR   A CE2 1 
ATOM   614  C CZ  . TYR   A 1 95  ? 33.79722 -32.38783 14.51908 1.000 24.46250  ? 92  TYR   A CZ  1 
ATOM   615  O OH  . TYR   A 1 95  ? 35.05759 -32.90727 14.75351 1.000 26.74479  ? 92  TYR   A OH  1 
ATOM   616  N N   . ILE   A 1 96  ? 27.21912 -30.35854 12.25594 1.000 18.55527  ? 93  ILE   A N   1 
ATOM   617  C CA  . ILE   A 1 96  ? 25.92419 -29.70379 12.10180 1.000 18.15353  ? 93  ILE   A CA  1 
ATOM   618  C C   . ILE   A 1 96  ? 24.80328 -30.72839 12.17837 1.000 21.91236  ? 93  ILE   A C   1 
ATOM   619  O O   . ILE   A 1 96  ? 23.77779 -30.49762 12.83012 1.000 20.07517  ? 93  ILE   A O   1 
ATOM   620  C CB  . ILE   A 1 96  ? 25.88480 -28.90895 10.78191 1.000 19.25053  ? 93  ILE   A CB  1 
ATOM   621  C CG1 . ILE   A 1 96  ? 26.78543 -27.68119 10.87830 1.000 18.89882  ? 93  ILE   A CG1 1 
ATOM   622  C CG2 . ILE   A 1 96  ? 24.45437 -28.49314 10.44326 1.000 20.70476  ? 93  ILE   A CG2 1 
ATOM   623  C CD1 . ILE   A 1 96  ? 26.91954 -26.94227 9.50780  1.000 21.93388  ? 93  ILE   A CD1 1 
ATOM   624  N N   . GLN   A 1 97  ? 24.98509 -31.88847 11.53499 1.000 21.21628  ? 94  GLN   A N   1 
ATOM   625  C CA  . GLN   A 1 97  ? 23.96183 -32.92915 11.59654 1.000 19.40315  ? 94  GLN   A CA  1 
ATOM   626  C C   . GLN   A 1 97  ? 23.68185 -33.34415 13.02892 1.000 23.63371  ? 94  GLN   A C   1 
ATOM   627  O O   . GLN   A 1 97  ? 22.52182 -33.46839 13.43563 1.000 23.58130  ? 94  GLN   A O   1 
ATOM   628  C CB  . GLN   A 1 97  ? 24.38573 -34.14250 10.77803 1.000 23.11161  ? 94  GLN   A CB  1 
ATOM   629  C CG  . GLN   A 1 97  ? 24.27822 -33.91099 9.29848  1.000 26.72863  ? 94  GLN   A CG  1 
ATOM   630  C CD  . GLN   A 1 97  ? 24.56918 -35.16492 8.51829  1.000 36.60056  ? 94  GLN   A CD  1 
ATOM   631  O OE1 . GLN   A 1 97  ? 25.53936 -35.86820 8.79849  1.000 39.10544  ? 94  GLN   A OE1 1 
ATOM   632  N NE2 . GLN   A 1 97  ? 23.70981 -35.47657 7.55604  1.000 42.56007  ? 94  GLN   A NE2 1 
ATOM   633  N N   . LYS   A 1 98  ? 24.73976 -33.58653 13.80405 1.000 21.08971  ? 95  LYS   A N   1 
ATOM   634  C CA  . LYS   A 1 98  ? 24.56191 -34.06784 15.16384 1.000 22.41223  ? 95  LYS   A CA  1 
ATOM   635  C C   . LYS   A 1 98  ? 23.97547 -32.98814 16.05917 1.000 19.90137  ? 95  LYS   A C   1 
ATOM   636  O O   . LYS   A 1 98  ? 23.19877 -33.28929 16.97245 1.000 21.99211  ? 95  LYS   A O   1 
ATOM   637  C CB  . LYS   A 1 98  ? 25.89484 -34.56126 15.71147 1.000 26.38196  ? 95  LYS   A CB  1 
ATOM   638  C CG  . LYS   A 1 98  ? 26.37031 -35.84595 15.05438 1.000 32.20228  ? 95  LYS   A CG  1 
ATOM   639  C CD  . LYS   A 1 98  ? 27.47675 -36.48659 15.88212 1.000 41.76983  ? 95  LYS   A CD  1 
ATOM   640  C CE  . LYS   A 1 98  ? 27.79140 -37.89044 15.38576 1.000 45.48953  ? 95  LYS   A CE  1 
ATOM   641  N NZ  . LYS   A 1 98  ? 28.81795 -38.56051 16.24058 1.000 58.25692  ? 95  LYS   A NZ  1 
ATOM   642  N N   . ILE   A 1 99  ? 24.34153 -31.72790 15.82898 1.000 18.56867  ? 96  ILE   A N   1 
ATOM   643  C CA  . ILE   A 1 99  ? 23.74437 -30.64295 16.60797 1.000 18.08916  ? 96  ILE   A CA  1 
ATOM   644  C C   . ILE   A 1 99  ? 22.25760 -30.50845 16.29260 1.000 21.15508  ? 96  ILE   A C   1 
ATOM   645  O O   . ILE   A 1 99  ? 21.41653 -30.36877 17.19860 1.000 22.13700  ? 96  ILE   A O   1 
ATOM   646  C CB  . ILE   A 1 99  ? 24.50490 -29.32941 16.35166 1.000 19.20415  ? 96  ILE   A CB  1 
ATOM   647  C CG1 . ILE   A 1 99  ? 25.93189 -29.44107 16.88940 1.000 20.36331  ? 96  ILE   A CG1 1 
ATOM   648  C CG2 . ILE   A 1 99  ? 23.79230 -28.13657 16.99126 1.000 22.01028  ? 96  ILE   A CG2 1 
ATOM   649  C CD1 . ILE   A 1 99  ? 26.88825 -28.39404 16.29339 1.000 20.50649  ? 96  ILE   A CD1 1 
ATOM   650  N N   . LYS   A 1 100 ? 21.89883 -30.59237 15.01235 1.000 21.11694  ? 97  LYS   A N   1 
ATOM   651  C CA  . LYS   A 1 100 ? 20.49692 -30.41658 14.63719 1.000 21.41755  ? 97  LYS   A CA  1 
ATOM   652  C C   . LYS   A 1 100 ? 19.62354 -31.58434 15.06204 1.000 21.61857  ? 97  LYS   A C   1 
ATOM   653  O O   . LYS   A 1 100 ? 18.42895 -31.39028 15.32495 1.000 24.00469  ? 97  LYS   A O   1 
ATOM   654  C CB  . LYS   A 1 100 ? 20.36492 -30.21685 13.12672 1.000 19.60783  ? 97  LYS   A CB  1 
ATOM   655  C CG  . LYS   A 1 100 ? 20.75107 -28.84677 12.66114 1.000 21.39140  ? 97  LYS   A CG  1 
ATOM   656  C CD  . LYS   A 1 100 ? 20.16008 -28.60227 11.29426 1.000 23.73669  ? 97  LYS   A CD  1 
ATOM   657  C CE  . LYS   A 1 100 ? 20.43971 -27.20081 10.84744 1.000 23.76387  ? 97  LYS   A CE  1 
ATOM   658  N NZ  . LYS   A 1 100 ? 19.75173 -26.86947 9.54738  1.000 25.21073  ? 97  LYS   A NZ  1 
ATOM   659  N N   . SER   A 1 101 ? 20.17613 -32.80161 15.11695 1.000 21.55693  ? 98  SER   A N   1 
ATOM   660  C CA  . SER   A 1 101 ? 19.43746 -33.95683 15.60328 1.000 22.86632  ? 98  SER   A CA  1 
ATOM   661  C C   . SER   A 1 101 ? 19.33194 -33.99147 17.11704 1.000 21.74279  ? 98  SER   A C   1 
ATOM   662  O O   . SER   A 1 101 ? 18.53164 -34.76442 17.65151 1.000 27.65118  ? 98  SER   A O   1 
ATOM   663  C CB  . SER   A 1 101 ? 20.10270 -35.25143 15.13777 1.000 24.56632  ? 98  SER   A CB  1 
ATOM   664  O OG  . SER   A 1 101 ? 21.31823 -35.45273 15.83084 1.000 25.33892  ? 98  SER   A OG  1 
ATOM   665  N N   . GLY   A 1 102 ? 20.12420 -33.18164 17.81671 1.000 23.51758  ? 99  GLY   A N   1 
ATOM   666  C CA  . GLY   A 1 102 ? 20.14538 -33.23862 19.26198 1.000 23.09573  ? 99  GLY   A CA  1 
ATOM   667  C C   . GLY   A 1 102 ? 20.99378 -34.34993 19.82951 1.000 25.68309  ? 99  GLY   A C   1 
ATOM   668  O O   . GLY   A 1 102 ? 21.01691 -34.52531 21.05590 1.000 29.20222  ? 99  GLY   A O   1 
ATOM   669  N N   . GLU   A 1 103 ? 21.68441 -35.11351 18.97767 1.000 24.01759  ? 100 GLU   A N   1 
ATOM   670  C CA  . GLU   A 1 103 ? 22.59038 -36.15219 19.45868 1.000 24.78916  ? 100 GLU   A CA  1 
ATOM   671  C C   . GLU   A 1 103 ? 23.75938 -35.56249 20.24061 1.000 25.09640  ? 100 GLU   A C   1 
ATOM   672  O O   . GLU   A 1 103 ? 24.27263 -36.20220 21.16297 1.000 27.15996  ? 100 GLU   A O   1 
ATOM   673  C CB  . GLU   A 1 103 ? 23.13879 -36.97324 18.28842 1.000 28.34750  ? 100 GLU   A CB  1 
ATOM   674  C CG  . GLU   A 1 103 ? 22.13618 -37.83101 17.53014 1.000 41.26564  ? 100 GLU   A CG  1 
ATOM   675  C CD  . GLU   A 1 103 ? 22.75703 -38.43970 16.26657 1.000 49.15387  ? 100 GLU   A CD  1 
ATOM   676  O OE1 . GLU   A 1 103 ? 23.34288 -39.54140 16.36938 1.000 55.10386  ? 100 GLU   A OE1 1 
ATOM   677  O OE2 . GLU   A 1 103 ? 22.69062 -37.79842 15.18359 1.000 44.90486  ? 100 GLU   A OE2 1 
ATOM   678  N N   . GLU   A 1 104 ? 24.22434 -34.37927 19.85452 1.000 22.76282  ? 101 GLU   A N   1 
ATOM   679  C CA  . GLU   A 1 104 ? 25.25623 -33.65090 20.57701 1.000 25.76537  ? 101 GLU   A CA  1 
ATOM   680  C C   . GLU   A 1 104 ? 24.79976 -32.21227 20.70373 1.000 28.75277  ? 101 GLU   A C   1 
ATOM   681  O O   . GLU   A 1 104 ? 23.97356 -31.74914 19.91939 1.000 26.93088  ? 101 GLU   A O   1 
ATOM   682  C CB  . GLU   A 1 104 ? 26.59933 -33.68983 19.83812 1.000 29.48652  ? 101 GLU   A CB  1 
ATOM   683  C CG  . GLU   A 1 104 ? 27.05321 -35.08243 19.44990 1.000 34.93836  ? 101 GLU   A CG  1 
ATOM   684  C CD  . GLU   A 1 104 ? 27.77366 -35.78171 20.58323 1.000 43.64636  ? 101 GLU   A CD  1 
ATOM   685  O OE1 . GLU   A 1 104 ? 28.12428 -35.10177 21.57153 1.000 43.17345  ? 101 GLU   A OE1 1 
ATOM   686  O OE2 . GLU   A 1 104 ? 27.98440 -37.01027 20.48394 1.000 53.15141  ? 101 GLU   A OE2 1 
ATOM   687  N N   . ASP   A 1 105 ? 25.32930 -31.48108 21.67624 1.000 23.63696  ? 102 ASP   A N   1 
ATOM   688  C CA  . ASP   A 1 105 ? 25.05985 -30.05580 21.62679 1.000 25.21399  ? 102 ASP   A CA  1 
ATOM   689  C C   . ASP   A 1 105 ? 26.29516 -29.30722 21.15574 1.000 23.27335  ? 102 ASP   A C   1 
ATOM   690  O O   . ASP   A 1 105 ? 27.41879 -29.81964 21.15931 1.000 22.98208  ? 102 ASP   A O   1 
ATOM   691  C CB  . ASP   A 1 105 ? 24.54868 -29.48750 22.95937 1.000 33.45737  ? 102 ASP   A CB  1 
ATOM   692  C CG  . ASP   A 1 105 ? 25.45062 -29.77731 24.11468 1.000 38.61834  ? 102 ASP   A CG  1 
ATOM   693  O OD1 . ASP   A 1 105 ? 26.56975 -29.22013 24.15366 1.000 43.70704  ? 102 ASP   A OD1 1 
ATOM   694  O OD2 . ASP   A 1 105 ? 25.01515 -30.53667 25.01535 1.000 49.72078  ? 102 ASP   A OD2 1 
ATOM   695  N N   . PHE   A 1 106 ? 26.03928 -28.08710 20.70313 1.000 20.59754  ? 103 PHE   A N   1 
ATOM   696  C CA  . PHE   A 1 106 ? 27.08233 -27.27562 20.09119 1.000 18.31851  ? 103 PHE   A CA  1 
ATOM   697  C C   . PHE   A 1 106 ? 28.27258 -27.11122 21.03117 1.000 21.41378  ? 103 PHE   A C   1 
ATOM   698  O O   . PHE   A 1 106 ? 29.42813 -27.28131 20.62715 1.000 20.23987  ? 103 PHE   A O   1 
ATOM   699  C CB  . PHE   A 1 106 ? 26.48634 -25.92213 19.71950 1.000 21.32602  ? 103 PHE   A CB  1 
ATOM   700  C CG  . PHE   A 1 106 ? 27.46935 -24.98009 19.14697 1.000 23.27140  ? 103 PHE   A CG  1 
ATOM   701  C CD1 . PHE   A 1 106 ? 28.24973 -24.19316 19.97424 1.000 27.14546  ? 103 PHE   A CD1 1 
ATOM   702  C CD2 . PHE   A 1 106 ? 27.62598 -24.88105 17.78188 1.000 27.98439  ? 103 PHE   A CD2 1 
ATOM   703  C CE1 . PHE   A 1 106 ? 29.17635 -23.33305 19.43761 1.000 29.11483  ? 103 PHE   A CE1 1 
ATOM   704  C CE2 . PHE   A 1 106 ? 28.55027 -24.00998 17.24572 1.000 31.53405  ? 103 PHE   A CE2 1 
ATOM   705  C CZ  . PHE   A 1 106 ? 29.32521 -23.24454 18.09301 1.000 26.52948  ? 103 PHE   A CZ  1 
ATOM   706  N N   . GLU   A 1 107 ? 28.00091 -26.77188 22.29274 1.000 23.38324  ? 104 GLU   A N   1 
ATOM   707  C CA  . GLU   A 1 107 ? 29.08321 -26.45702 23.22730 1.000 23.12303  ? 104 GLU   A CA  1 
ATOM   708  C C   . GLU   A 1 107 ? 29.98376 -27.65951 23.46622 1.000 22.03131  ? 104 GLU   A C   1 
ATOM   709  O O   . GLU   A 1 107 ? 31.21040 -27.51661 23.59695 1.000 24.16963  ? 104 GLU   A O   1 
ATOM   710  C CB  . GLU   A 1 107 ? 28.49539 -25.96822 24.55158 1.000 24.09008  ? 104 GLU   A CB  1 
ATOM   711  C CG  . GLU   A 1 107 ? 27.76347 -24.65815 24.44923 1.000 27.64523  ? 104 GLU   A CG  1 
ATOM   712  C CD  . GLU   A 1 107 ? 26.25971 -24.81853 24.22772 1.000 38.93596  ? 104 GLU   A CD  1 
ATOM   713  O OE1 . GLU   A 1 107 ? 25.82444 -25.83733 23.62474 1.000 30.92077  ? 104 GLU   A OE1 1 
ATOM   714  O OE2 . GLU   A 1 107 ? 25.51311 -23.91229 24.67094 1.000 37.16541  ? 104 GLU   A OE2 1 
ATOM   715  N N   . SER   A 1 108 ? 29.39376 -28.85004 23.55287 1.000 23.11261  ? 105 SER   A N   1 
ATOM   716  C CA  . SER   A 1 108 ? 30.18138 -30.05156 23.78160 1.000 25.66910  ? 105 SER   A CA  1 
ATOM   717  C C   . SER   A 1 108 ? 31.08417 -30.35621 22.59074 1.000 26.06682  ? 105 SER   A C   1 
ATOM   718  O O   . SER   A 1 108 ? 32.23601 -30.75698 22.76833 1.000 23.69668  ? 105 SER   A O   1 
ATOM   719  C CB  . SER   A 1 108 ? 29.25408 -31.22402 24.07728 1.000 33.69530  ? 105 SER   A CB  1 
ATOM   720  O OG  . SER   A 1 108 ? 29.90872 -32.45480 23.85418 1.000 36.60761  ? 105 SER   A OG  1 
ATOM   721  N N   . LEU   A 1 109 ? 30.57863 -30.18387 21.36850 1.000 22.60518  ? 106 LEU   A N   1 
ATOM   722  C CA  . LEU   A 1 109 ? 31.43151 -30.40546 20.20272 1.000 20.91661  ? 106 LEU   A CA  1 
ATOM   723  C C   . LEU   A 1 109 ? 32.49252 -29.32007 20.09205 1.000 20.08366  ? 106 LEU   A C   1 
ATOM   724  O O   . LEU   A 1 109 ? 33.62999 -29.59554 19.69845 1.000 25.42941  ? 106 LEU   A O   1 
ATOM   725  C CB  . LEU   A 1 109 ? 30.59299 -30.47130 18.92178 1.000 21.45071  ? 106 LEU   A CB  1 
ATOM   726  C CG  . LEU   A 1 109 ? 29.62143 -31.65180 18.87923 1.000 19.28275  ? 106 LEU   A CG  1 
ATOM   727  C CD1 . LEU   A 1 109 ? 28.83173 -31.62507 17.57396 1.000 20.70171  ? 106 LEU   A CD1 1 
ATOM   728  C CD2 . LEU   A 1 109 ? 30.36452 -32.95348 18.98485 1.000 23.13002  ? 106 LEU   A CD2 1 
ATOM   729  N N   . ALA   A 1 110 ? 32.14606 -28.07353 20.41407 1.000 19.57346  ? 107 ALA   A N   1 
ATOM   730  C CA  . ALA   A 1 110 ? 33.15628 -27.03002 20.30295 1.000 19.43304  ? 107 ALA   A CA  1 
ATOM   731  C C   . ALA   A 1 110 ? 34.27355 -27.27334 21.30492 1.000 22.95727  ? 107 ALA   A C   1 
ATOM   732  O O   . ALA   A 1 110 ? 35.46315 -27.14069 20.97398 1.000 22.42813  ? 107 ALA   A O   1 
ATOM   733  C CB  . ALA   A 1 110 ? 32.52352 -25.65717 20.49994 1.000 20.77054  ? 107 ALA   A CB  1 
ATOM   734  N N   . SER   A 1 111 ? 33.90647 -27.70188 22.51561 1.000 20.23032  ? 108 SER   A N   1 
ATOM   735  C CA  . SER   A 1 111 ? 34.89613 -27.96600 23.55735 1.000 20.28599  ? 108 SER   A CA  1 
ATOM   736  C C   . SER   A 1 111 ? 35.83687 -29.08733 23.16498 1.000 25.08658  ? 108 SER   A C   1 
ATOM   737  O O   . SER   A 1 111 ? 37.01899 -29.06667 23.52965 1.000 26.61043  ? 108 SER   A O   1 
ATOM   738  C CB  . SER   A 1 111 ? 34.19472 -28.32561 24.85900 1.000 24.85392  ? 108 SER   A CB  1 
ATOM   739  O OG  . SER   A 1 111 ? 33.30723 -27.29381 25.23590 1.000 33.95227  ? 108 SER   A OG  1 
ATOM   740  N N   . GLN   A 1 112 ? 35.32991 -30.08619 22.43785 1.000 22.36112  ? 109 GLN   A N   1 
ATOM   741  C CA  . GLN   A 1 112 ? 36.14220 -31.23672 22.08543 1.000 24.07131  ? 109 GLN   A CA  1 
ATOM   742  C C   . GLN   A 1 112 ? 36.90940 -31.05223 20.78752 1.000 24.65159  ? 109 GLN   A C   1 
ATOM   743  O O   . GLN   A 1 112 ? 38.02346 -31.56912 20.66803 1.000 26.11774  ? 109 GLN   A O   1 
ATOM   744  C CB  . GLN   A 1 112 ? 35.27389 -32.48312 21.94833 1.000 25.86952  ? 109 GLN   A CB  1 
ATOM   745  C CG  . GLN   A 1 112 ? 34.56115 -32.88893 23.20103 1.000 25.56908  ? 109 GLN   A CG  1 
ATOM   746  C CD  . GLN   A 1 112 ? 33.65689 -34.06499 22.95880 1.000 29.43192  ? 109 GLN   A CD  1 
ATOM   747  O OE1 . GLN   A 1 112 ? 32.42798 -33.92317 22.90577 1.000 32.56715  ? 109 GLN   A OE1 1 
ATOM   748  N NE2 . GLN   A 1 112 ? 34.25186 -35.23805 22.80137 1.000 26.12476  ? 109 GLN   A NE2 1 
ATOM   749  N N   . PHE   A 1 113 ? 36.34557 -30.34051 19.81150 1.000 21.97260  ? 110 PHE   A N   1 
ATOM   750  C CA  . PHE   A 1 113 ? 36.84909 -30.43858 18.44599 1.000 21.89323  ? 110 PHE   A CA  1 
ATOM   751  C C   . PHE   A 1 113 ? 37.17255 -29.12056 17.76125 1.000 25.32362  ? 110 PHE   A C   1 
ATOM   752  O O   . PHE   A 1 113 ? 37.71689 -29.15557 16.65165 1.000 27.08033  ? 110 PHE   A O   1 
ATOM   753  C CB  . PHE   A 1 113 ? 35.84627 -31.20811 17.57018 1.000 25.85395  ? 110 PHE   A CB  1 
ATOM   754  C CG  . PHE   A 1 113 ? 35.50209 -32.56793 18.10535 1.000 23.10592  ? 110 PHE   A CG  1 
ATOM   755  C CD1 . PHE   A 1 113 ? 36.48934 -33.51795 18.31986 1.000 26.12471  ? 110 PHE   A CD1 1 
ATOM   756  C CD2 . PHE   A 1 113 ? 34.18866 -32.90474 18.37915 1.000 24.15224  ? 110 PHE   A CD2 1 
ATOM   757  C CE1 . PHE   A 1 113 ? 36.17890 -34.77860 18.81979 1.000 28.72831  ? 110 PHE   A CE1 1 
ATOM   758  C CE2 . PHE   A 1 113 ? 33.86749 -34.15787 18.86949 1.000 25.51201  ? 110 PHE   A CE2 1 
ATOM   759  C CZ  . PHE   A 1 113 ? 34.86488 -35.10120 19.08999 1.000 28.51890  ? 110 PHE   A CZ  1 
ATOM   760  N N   . SER   A 1 114 ? 36.87044 -27.97538 18.35390 1.000 22.61411  ? 111 SER   A N   1 
ATOM   761  C CA  . SER   A 1 114 ? 37.18820 -26.72516 17.68058 1.000 22.18318  ? 111 SER   A CA  1 
ATOM   762  C C   . SER   A 1 114 ? 38.69590 -26.52198 17.66358 1.000 23.68358  ? 111 SER   A C   1 
ATOM   763  O O   . SER   A 1 114 ? 39.35190 -26.63210 18.69911 1.000 23.85841  ? 111 SER   A O   1 
ATOM   764  C CB  . SER   A 1 114 ? 36.50748 -25.55171 18.37339 1.000 22.21942  ? 111 SER   A CB  1 
ATOM   765  O OG  . SER   A 1 114 ? 36.77290 -24.33233 17.68354 1.000 21.51291  ? 111 SER   A OG  1 
ATOM   766  N N   . ASP   A 1 115 ? 39.23859 -26.22112 16.47870 1.000 22.30841  ? 112 ASP   A N   1 
ATOM   767  C CA  . ASP   A 1 115 ? 40.66948 -25.97242 16.28497 1.000 23.24131  ? 112 ASP   A CA  1 
ATOM   768  C C   . ASP   A 1 115 ? 41.05102 -24.56825 16.71146 1.000 26.14610  ? 112 ASP   A C   1 
ATOM   769  O O   . ASP   A 1 115 ? 41.72230 -23.84468 15.96877 1.000 31.73406  ? 112 ASP   A O   1 
ATOM   770  C CB  . ASP   A 1 115 ? 41.05614 -26.17736 14.81550 1.000 23.92790  ? 112 ASP   A CB  1 
ATOM   771  C CG  . ASP   A 1 115 ? 41.29427 -27.63834 14.47301 1.000 23.75678  ? 112 ASP   A CG  1 
ATOM   772  O OD1 . ASP   A 1 115 ? 41.99653 -28.31630 15.26237 1.000 27.52573  ? 112 ASP   A OD1 1 
ATOM   773  O OD2 . ASP   A 1 115 ? 40.76821 -28.10803 13.43338 1.000 24.98153  ? 112 ASP   A OD2 1 
ATOM   774  N N   . CYS   A 1 116 ? 40.67109 -24.19356 17.92387 1.000 27.32045  ? 113 CYS   A N   1 
ATOM   775  C CA  . CYS   A 1 116 ? 40.76500 -22.82038 18.36515 1.000 26.12422  ? 113 CYS   A CA  1 
ATOM   776  C C   . CYS   A 1 116 ? 40.89734 -22.81303 19.87793 1.000 29.38142  ? 113 CYS   A C   1 
ATOM   777  O O   . CYS   A 1 116 ? 40.34669 -23.68111 20.55854 1.000 27.92247  ? 113 CYS   A O   1 
ATOM   778  C CB  . CYS   A 1 116 ? 39.52780 -22.06049 17.90414 1.000 29.50581  ? 113 CYS   A CB  1 
ATOM   779  S SG  . CYS   A 1 116 ? 39.55564 -20.37396 18.33118 1.000 35.40229  ? 113 CYS   A SG  1 
ATOM   780  N N   . SER   A 1 117 ? 41.65052 -21.84168 20.40149 1.000 27.44624  ? 114 SER   A N   1 
ATOM   781  C CA  . SER   A 1 117 ? 41.81059 -21.74685 21.84662 1.000 32.25720  ? 114 SER   A CA  1 
ATOM   782  C C   . SER   A 1 117 ? 40.48219 -21.51451 22.54552 1.000 31.89841  ? 114 SER   A C   1 
ATOM   783  O O   . SER   A 1 117 ? 40.34906 -21.84758 23.73039 1.000 30.30568  ? 114 SER   A O   1 
ATOM   784  C CB  . SER   A 1 117 ? 42.79475 -20.63215 22.20824 1.000 40.27452  ? 114 SER   A CB  1 
ATOM   785  O OG  . SER   A 1 117 ? 42.34489 -19.38003 21.72220 1.000 47.19206  ? 114 SER   A OG  1 
ATOM   786  N N   . SER   A 1 118 ? 39.49264 -20.97450 21.83256 1.000 27.03476  ? 115 SER   A N   1 
ATOM   787  C CA  . SER   A 1 118 ? 38.17217 -20.74543 22.40023 1.000 23.70346  ? 115 SER   A CA  1 
ATOM   788  C C   . SER   A 1 118 ? 37.44314 -22.04394 22.73738 1.000 24.43146  ? 115 SER   A C   1 
ATOM   789  O O   . SER   A 1 118 ? 36.40191 -21.99478 23.39963 1.000 23.36655  ? 115 SER   A O   1 
ATOM   790  C CB  . SER   A 1 118 ? 37.33925 -19.90393 21.42666 1.000 25.93497  ? 115 SER   A CB  1 
ATOM   791  O OG  . SER   A 1 118 ? 37.21817 -20.55742 20.17923 1.000 29.84553  ? 115 SER   A OG  1 
ATOM   792  N N   . ALA   A 1 119 ? 37.95730 -23.19734 22.30267 1.000 21.75224  ? 116 ALA   A N   1 
ATOM   793  C CA  . ALA   A 1 119 ? 37.36700 -24.47276 22.69948 1.000 23.62774  ? 116 ALA   A CA  1 
ATOM   794  C C   . ALA   A 1 119 ? 37.26615 -24.58570 24.21607 1.000 26.33855  ? 116 ALA   A C   1 
ATOM   795  O O   . ALA   A 1 119 ? 36.28924 -25.12053 24.74921 1.000 23.95974  ? 116 ALA   A O   1 
ATOM   796  C CB  . ALA   A 1 119 ? 38.20370 -25.62087 22.13021 1.000 22.30515  ? 116 ALA   A CB  1 
ATOM   797  N N   . LYS   A 1 120 ? 38.27573 -24.08773 24.92707 1.000 24.26238  ? 117 LYS   A N   1 
ATOM   798  C CA  . LYS   A 1 120 ? 38.25386 -24.14366 26.38494 1.000 21.34446  ? 117 LYS   A CA  1 
ATOM   799  C C   . LYS   A 1 120 ? 37.10313 -23.34649 26.98551 1.000 21.92847  ? 117 LYS   A C   1 
ATOM   800  O O   . LYS   A 1 120 ? 36.71602 -23.60967 28.13130 1.000 23.62294  ? 117 LYS   A O   1 
ATOM   801  C CB  . LYS   A 1 120 ? 39.58123 -23.63183 26.93846 1.000 26.95183  ? 117 LYS   A CB  1 
ATOM   802  C CG  . LYS   A 1 120 ? 40.74662 -24.55661 26.66120 1.000 36.85791  ? 117 LYS   A CG  1 
ATOM   803  C CD  . LYS   A 1 120 ? 41.89707 -24.28033 27.63498 1.000 39.58399  ? 117 LYS   A CD  1 
ATOM   804  C CE  . LYS   A 1 120 ? 42.94516 -25.39831 27.58832 1.000 47.82022  ? 117 LYS   A CE  1 
ATOM   805  N NZ  . LYS   A 1 120 ? 43.40882 -25.72600 26.20030 1.000 45.40824  ? 117 LYS   A NZ  1 
ATOM   806  N N   . ALA   A 1 121 ? 36.56055 -22.37574 26.24597 1.000 22.21780  ? 118 ALA   A N   1 
ATOM   807  C CA  . ALA   A 1 121 ? 35.39802 -21.60154 26.65972 1.000 23.09388  ? 118 ALA   A CA  1 
ATOM   808  C C   . ALA   A 1 121 ? 34.12136 -22.08024 25.97159 1.000 24.41570  ? 118 ALA   A C   1 
ATOM   809  O O   . ALA   A 1 121 ? 33.17290 -21.29701 25.80822 1.000 23.34004  ? 118 ALA   A O   1 
ATOM   810  C CB  . ALA   A 1 121 ? 35.62357 -20.11401 26.38442 1.000 22.94025  ? 118 ALA   A CB  1 
ATOM   811  N N   A ARG   A 1 122 ? 34.07897 -23.35120 25.56650 0.469 20.59149  ? 119 ARG   A N   1 
ATOM   812  N N   B ARG   A 1 122 ? 34.08939 -23.34945 25.56205 0.531 20.57221  ? 119 ARG   A N   1 
ATOM   813  C CA  A ARG   A 1 122 ? 32.92623 -23.92403 24.86544 0.469 23.68984  ? 119 ARG   A CA  1 
ATOM   814  C CA  B ARG   A 1 122 ? 32.94217 -23.93062 24.86424 0.531 22.59885  ? 119 ARG   A CA  1 
ATOM   815  C C   A ARG   A 1 122 ? 32.60638 -23.14331 23.59452 0.469 22.01375  ? 119 ARG   A C   1 
ATOM   816  C C   B ARG   A 1 122 ? 32.60487 -23.13230 23.60836 0.531 22.42348  ? 119 ARG   A C   1 
ATOM   817  O O   A ARG   A 1 122 ? 31.45363 -23.08253 23.15544 0.469 23.81151  ? 119 ARG   A O   1 
ATOM   818  O O   B ARG   A 1 122 ? 31.44460 -23.04970 23.19339 0.531 23.72980  ? 119 ARG   A O   1 
ATOM   819  C CB  A ARG   A 1 122 ? 31.69627 -24.00109 25.77820 0.469 24.35447  ? 119 ARG   A CB  1 
ATOM   820  C CB  B ARG   A 1 122 ? 31.73092 -24.04836 25.79873 0.531 24.65615  ? 119 ARG   A CB  1 
ATOM   821  C CG  A ARG   A 1 122 ? 31.91398 -24.82921 27.03815 0.469 28.73060  ? 119 ARG   A CG  1 
ATOM   822  C CG  B ARG   A 1 122 ? 32.01195 -24.91821 27.02956 0.531 28.71299  ? 119 ARG   A CG  1 
ATOM   823  C CD  A ARG   A 1 122 ? 30.81506 -24.56870 28.07060 0.469 30.97026  ? 119 ARG   A CD  1 
ATOM   824  C CD  B ARG   A 1 122 ? 31.01381 -24.67110 28.16361 0.531 31.26335  ? 119 ARG   A CD  1 
ATOM   825  N NE  A ARG   A 1 122 ? 30.58817 -23.13899 28.25001 0.469 31.21645  ? 119 ARG   A NE  1 
ATOM   826  N NE  B ARG   A 1 122 ? 29.68577 -25.18411 27.85834 0.531 35.68812  ? 119 ARG   A NE  1 
ATOM   827  C CZ  A ARG   A 1 122 ? 31.39071 -22.32590 28.92831 0.469 33.56459  ? 119 ARG   A CZ  1 
ATOM   828  C CZ  B ARG   A 1 122 ? 29.09683 -26.18637 28.50144 0.531 38.54730  ? 119 ARG   A CZ  1 
ATOM   829  N NH1 A ARG   A 1 122 ? 32.47851 -22.77025 29.53213 0.469 23.67502  ? 119 ARG   A NH1 1 
ATOM   830  N NH1 B ARG   A 1 122 ? 29.68101 -26.79417 29.52385 0.531 37.41199  ? 119 ARG   A NH1 1 
ATOM   831  N NH2 A ARG   A 1 122 ? 31.09146 -21.03182 29.00333 0.469 39.41336  ? 119 ARG   A NH2 1 
ATOM   832  N NH2 B ARG   A 1 122 ? 27.89124 -26.58757 28.10749 0.531 33.33118  ? 119 ARG   A NH2 1 
ATOM   833  N N   . GLY   A 1 123 ? 33.63023 -22.53683 22.99502 1.000 21.70558  ? 120 GLY   A N   1 
ATOM   834  C CA  . GLY   A 1 123 ? 33.48049 -21.81737 21.74466 1.000 22.72298  ? 120 GLY   A CA  1 
ATOM   835  C C   . GLY   A 1 123 ? 33.13620 -20.34999 21.87452 1.000 22.39518  ? 120 GLY   A C   1 
ATOM   836  O O   . GLY   A 1 123 ? 33.12734 -19.63883 20.85869 1.000 24.62767  ? 120 GLY   A O   1 
ATOM   837  N N   . ASP   A 1 124 ? 32.88321 -19.86337 23.08379 1.000 23.14728  ? 121 ASP   A N   1 
ATOM   838  C CA  . ASP   A 1 124 ? 32.43654 -18.48835 23.26386 1.000 24.22777  ? 121 ASP   A CA  1 
ATOM   839  C C   . ASP   A 1 124 ? 33.52532 -17.49787 22.86326 1.000 27.30526  ? 121 ASP   A C   1 
ATOM   840  O O   . ASP   A 1 124 ? 34.66717 -17.59323 23.32509 1.000 28.08025  ? 121 ASP   A O   1 
ATOM   841  C CB  . ASP   A 1 124 ? 32.03618 -18.27114 24.72457 1.000 25.93317  ? 121 ASP   A CB  1 
ATOM   842  C CG  . ASP   A 1 124 ? 31.59099 -16.85144 25.01122 1.000 31.98482  ? 121 ASP   A CG  1 
ATOM   843  O OD1 . ASP   A 1 124 ? 30.86558 -16.25836 24.17167 1.000 26.52426  ? 121 ASP   A OD1 1 
ATOM   844  O OD2 . ASP   A 1 124 ? 31.94269 -16.33987 26.10142 1.000 30.91045  ? 121 ASP   A OD2 1 
ATOM   845  N N   . LEU   A 1 125 ? 33.15547 -16.52877 22.02007 1.000 25.58761  ? 122 LEU   A N   1 
ATOM   846  C CA  . LEU   A 1 125 ? 34.03806 -15.43653 21.63090 1.000 26.38465  ? 122 LEU   A CA  1 
ATOM   847  C C   . LEU   A 1 125 ? 33.74742 -14.14046 22.36685 1.000 25.83589  ? 122 LEU   A C   1 
ATOM   848  O O   . LEU   A 1 125 ? 34.51345 -13.17867 22.22107 1.000 31.05066  ? 122 LEU   A O   1 
ATOM   849  C CB  . LEU   A 1 125 ? 33.92603 -15.17765 20.12478 1.000 27.65674  ? 122 LEU   A CB  1 
ATOM   850  C CG  . LEU   A 1 125 ? 34.32994 -16.38216 19.28855 1.000 26.31237  ? 122 LEU   A CG  1 
ATOM   851  C CD1 . LEU   A 1 125 ? 34.04770 -16.10451 17.82593 1.000 32.90947  ? 122 LEU   A CD1 1 
ATOM   852  C CD2 . LEU   A 1 125 ? 35.80032 -16.70075 19.51886 1.000 31.13588  ? 122 LEU   A CD2 1 
ATOM   853  N N   . GLY   A 1 126 ? 32.66871 -14.08209 23.14669 1.000 26.51502  ? 123 GLY   A N   1 
ATOM   854  C CA  . GLY   A 1 126 ? 32.24914 -12.83316 23.73608 1.000 27.01647  ? 123 GLY   A CA  1 
ATOM   855  C C   . GLY   A 1 126 ? 31.49429 -11.97646 22.73624 1.000 27.89944  ? 123 GLY   A C   1 
ATOM   856  O O   . GLY   A 1 126 ? 31.17170 -12.39855 21.62064 1.000 27.59271  ? 123 GLY   A O   1 
ATOM   857  N N   . ALA   A 1 127 ? 31.20919 -10.74953 23.15418 1.000 29.54279  ? 124 ALA   A N   1 
ATOM   858  C CA  . ALA   A 1 127 ? 30.47434 -9.80813  22.32374 1.000 32.07671  ? 124 ALA   A CA  1 
ATOM   859  C C   . ALA   A 1 127 ? 31.43246 -9.02092  21.44046 1.000 32.67157  ? 124 ALA   A C   1 
ATOM   860  O O   . ALA   A 1 127 ? 32.58346 -8.77629  21.80398 1.000 33.87819  ? 124 ALA   A O   1 
ATOM   861  C CB  . ALA   A 1 127 ? 29.65386 -8.84472  23.18394 1.000 34.89075  ? 124 ALA   A CB  1 
ATOM   862  N N   . PHE   A 1 128 ? 30.94137 -8.62256  20.26904 1.000 30.49639  ? 125 PHE   A N   1 
ATOM   863  C CA  . PHE   A 1 128 ? 31.73162 -7.82139  19.34574 1.000 36.43324  ? 125 PHE   A CA  1 
ATOM   864  C C   . PHE   A 1 128 ? 30.79188 -7.01687  18.46077 1.000 32.84187  ? 125 PHE   A C   1 
ATOM   865  O O   . PHE   A 1 128 ? 29.62763 -7.37074  18.26864 1.000 35.58998  ? 125 PHE   A O   1 
ATOM   866  C CB  . PHE   A 1 128 ? 32.67221 -8.68930  18.49501 1.000 30.37005  ? 125 PHE   A CB  1 
ATOM   867  C CG  . PHE   A 1 128 ? 31.97162 -9.78684  17.74567 1.000 28.55069  ? 125 PHE   A CG  1 
ATOM   868  C CD1 . PHE   A 1 128 ? 31.79725 -11.03868 18.31980 1.000 29.54063  ? 125 PHE   A CD1 1 
ATOM   869  C CD2 . PHE   A 1 128 ? 31.48710 -9.56600  16.46812 1.000 30.69945  ? 125 PHE   A CD2 1 
ATOM   870  C CE1 . PHE   A 1 128 ? 31.14743 -12.06033 17.62363 1.000 32.69306  ? 125 PHE   A CE1 1 
ATOM   871  C CE2 . PHE   A 1 128 ? 30.83668 -10.58111 15.76747 1.000 28.65148  ? 125 PHE   A CE2 1 
ATOM   872  C CZ  . PHE   A 1 128 ? 30.66630 -11.82408 16.35018 1.000 28.15621  ? 125 PHE   A CZ  1 
ATOM   873  N N   . SER   A 1 129 ? 31.30168 -5.90578  17.95517 1.000 38.35066  ? 126 SER   A N   1 
ATOM   874  C CA  . SER   A 1 129 ? 30.57146 -5.07258  17.01540 1.000 38.44815  ? 126 SER   A CA  1 
ATOM   875  C C   . SER   A 1 129 ? 31.15794 -5.25920  15.62173 1.000 37.27194  ? 126 SER   A C   1 
ATOM   876  O O   . SER   A 1 129 ? 32.15427 -5.96073  15.42500 1.000 34.08790  ? 126 SER   A O   1 
ATOM   877  C CB  . SER   A 1 129 ? 30.62319 -3.60982  17.44592 1.000 42.74633  ? 126 SER   A CB  1 
ATOM   878  O OG  . SER   A 1 129 ? 31.96527 -3.22301  17.63875 1.000 46.13248  ? 126 SER   A OG  1 
ATOM   879  N N   . ARG   A 1 130 ? 30.51933 -4.63485  14.63908 1.000 38.56512  ? 127 ARG   A N   1 
ATOM   880  C CA  . ARG   A 1 130 ? 31.07362 -4.67529  13.29638 1.000 38.63847  ? 127 ARG   A CA  1 
ATOM   881  C C   . ARG   A 1 130 ? 32.42838 -3.98136  13.27505 1.000 38.94352  ? 127 ARG   A C   1 
ATOM   882  O O   . ARG   A 1 130 ? 32.68976 -3.05136  14.04546 1.000 38.56080  ? 127 ARG   A O   1 
ATOM   883  C CB  . ARG   A 1 130 ? 30.11979 -4.02403  12.29711 1.000 35.31221  ? 127 ARG   A CB  1 
ATOM   884  C CG  . ARG   A 1 130 ? 28.92984 -4.90071  11.95407 1.000 34.57219  ? 127 ARG   A CG  1 
ATOM   885  C CD  . ARG   A 1 130 ? 28.31500 -4.47318  10.62864 1.000 37.86062  ? 127 ARG   A CD  1 
ATOM   886  N NE  . ARG   A 1 130 ? 27.18863 -5.31211  10.22999 1.000 36.30909  ? 127 ARG   A NE  1 
ATOM   887  C CZ  . ARG   A 1 130 ? 27.27668 -6.36574  9.42957  1.000 36.07170  ? 127 ARG   A CZ  1 
ATOM   888  N NH1 . ARG   A 1 130 ? 28.44277 -6.79188  8.97226  1.000 27.08130  ? 127 ARG   A NH1 1 
ATOM   889  N NH2 . ARG   A 1 130 ? 26.16480 -7.00263  9.07306  1.000 33.42388  ? 127 ARG   A NH2 1 
ATOM   890  N N   . GLY   A 1 131 ? 33.30885 -4.46438  12.40479 1.000 37.16539  ? 128 GLY   A N   1 
ATOM   891  C CA  . GLY   A 1 131 ? 34.63505 -3.89283  12.29511 1.000 39.65319  ? 128 GLY   A CA  1 
ATOM   892  C C   . GLY   A 1 131 ? 35.70568 -4.55889  13.12956 1.000 43.45414  ? 128 GLY   A C   1 
ATOM   893  O O   . GLY   A 1 131 ? 36.82738 -4.04271  13.18668 1.000 50.37317  ? 128 GLY   A O   1 
ATOM   894  N N   . GLN   A 1 132 ? 35.40362 -5.68320  13.78069 1.000 37.97472  ? 129 GLN   A N   1 
ATOM   895  C CA  . GLN   A 1 132 ? 36.36099 -6.34572  14.65724 1.000 38.47326  ? 129 GLN   A CA  1 
ATOM   896  C C   . GLN   A 1 132 ? 36.76677 -7.73682  14.19152 1.000 42.30144  ? 129 GLN   A C   1 
ATOM   897  O O   . GLN   A 1 132 ? 37.92662 -8.11098  14.37348 1.000 42.81737  ? 129 GLN   A O   1 
ATOM   898  C CB  . GLN   A 1 132 ? 35.79770 -6.42603  16.09144 1.000 38.36793  ? 129 GLN   A CB  1 
ATOM   899  C CG  . GLN   A 1 132 ? 35.46080 -5.04318  16.68045 1.000 40.24387  ? 129 GLN   A CG  1 
ATOM   900  C CD  . GLN   A 1 132 ? 35.11600 -5.07644  18.16346 1.000 44.53278  ? 129 GLN   A CD  1 
ATOM   901  O OE1 . GLN   A 1 132 ? 34.28380 -5.86241  18.60384 1.000 41.01536  ? 129 GLN   A OE1 1 
ATOM   902  N NE2 . GLN   A 1 132 ? 35.76655 -4.22042  18.93950 1.000 47.15400  ? 129 GLN   A NE2 1 
ATOM   903  N N   . MET   A 1 133 ? 35.85951 -8.50036  13.58269 1.000 38.26327  ? 130 MET   A N   1 
ATOM   904  C CA  . MET   A 1 133 ? 36.11071 -9.86288  13.13078 1.000 35.84872  ? 130 MET   A CA  1 
ATOM   905  C C   . MET   A 1 133 ? 36.27550 -9.91088  11.61428 1.000 34.36210  ? 130 MET   A C   1 
ATOM   906  O O   . MET   A 1 133 ? 35.89367 -8.97841  10.89984 1.000 35.83329  ? 130 MET   A O   1 
ATOM   907  C CB  . MET   A 1 133 ? 34.96010 -10.79160 13.54033 1.000 30.43832  ? 130 MET   A CB  1 
ATOM   908  C CG  . MET   A 1 133 ? 34.63161 -10.78787 15.02309 1.000 36.30550  ? 130 MET   A CG  1 
ATOM   909  S SD  . MET   A 1 133 ? 36.01902 -11.44764 15.95407 1.000 38.66267  ? 130 MET   A SD  1 
ATOM   910  C CE  . MET   A 1 133 ? 35.31178 -11.62277 17.60090 1.000 44.29522  ? 130 MET   A CE  1 
ATOM   911  N N   . GLN   A 1 134 ? 36.83123 -11.02635 11.13024 1.000 34.25962  ? 131 GLN   A N   1 
ATOM   912  C CA  . GLN   A 1 134 ? 36.94776 -11.25136 9.68995  1.000 36.09245  ? 131 GLN   A CA  1 
ATOM   913  C C   . GLN   A 1 134 ? 35.58101 -11.14748 9.02253  1.000 37.71178  ? 131 GLN   A C   1 
ATOM   914  O O   . GLN   A 1 134 ? 34.57014 -11.60864 9.55755  1.000 31.33164  ? 131 GLN   A O   1 
ATOM   915  C CB  . GLN   A 1 134 ? 37.57454 -12.62191 9.40512  1.000 36.69166  ? 131 GLN   A CB  1 
ATOM   916  C CG  . GLN   A 1 134 ? 39.05444 -12.72082 9.79575  1.000 41.33034  ? 131 GLN   A CG  1 
ATOM   917  C CD  . GLN   A 1 134 ? 39.63829 -14.13020 9.63766  1.000 46.18972  ? 131 GLN   A CD  1 
ATOM   918  O OE1 . GLN   A 1 134 ? 38.95556 -15.13021 9.86051  1.000 51.75182  ? 131 GLN   A OE1 1 
ATOM   919  N NE2 . GLN   A 1 134 ? 40.90817 -14.20690 9.24643  1.000 56.60913  ? 131 GLN   A NE2 1 
ATOM   920  N N   . LYS   A 1 135 ? 35.55719 -10.54636 7.82999  1.000 34.94279  ? 132 LYS   A N   1 
ATOM   921  C CA  . LYS   A 1 135 ? 34.28561 -10.15966 7.22125  1.000 33.33912  ? 132 LYS   A CA  1 
ATOM   922  C C   . LYS   A 1 135 ? 33.27955 -11.29209 7.05047  1.000 30.85307  ? 132 LYS   A C   1 
ATOM   923  O O   . LYS   A 1 135 ? 32.10014 -11.08502 7.38215  1.000 34.10206  ? 132 LYS   A O   1 
ATOM   924  C CB  . LYS   A 1 135 ? 34.55609 -9.47366  5.87982  1.000 34.41862  ? 132 LYS   A CB  1 
ATOM   925  C CG  . LYS   A 1 135 ? 34.04003 -8.07307  5.85965  1.000 41.86085  ? 132 LYS   A CG  1 
ATOM   926  C CD  . LYS   A 1 135 ? 32.53960 -8.07394  5.95821  1.000 42.93504  ? 132 LYS   A CD  1 
ATOM   927  C CE  . LYS   A 1 135 ? 32.04458 -6.73048  6.44294  1.000 43.07245  ? 132 LYS   A CE  1 
ATOM   928  N NZ  . LYS   A 1 135 ? 30.56858 -6.59337  6.28502  1.000 44.72504  ? 132 LYS   A NZ  1 
ATOM   929  N N   . PRO   A 1 136 ? 33.63784 -12.47130 6.51810  1.000 31.12785  ? 133 PRO   A N   1 
ATOM   930  C CA  . PRO   A 1 136 ? 32.61120 -13.51618 6.37477  1.000 28.35500  ? 133 PRO   A CA  1 
ATOM   931  C C   . PRO   A 1 136 ? 32.02955 -13.92038 7.70536  1.000 25.91540  ? 133 PRO   A C   1 
ATOM   932  O O   . PRO   A 1 136 ? 30.83558 -14.21845 7.80134  1.000 26.26575  ? 133 PRO   A O   1 
ATOM   933  C CB  . PRO   A 1 136 ? 33.37201 -14.67556 5.71573  1.000 31.29155  ? 133 PRO   A CB  1 
ATOM   934  C CG  . PRO   A 1 136 ? 34.57101 -14.03160 5.09761  1.000 32.49680  ? 133 PRO   A CG  1 
ATOM   935  C CD  . PRO   A 1 136 ? 34.94584 -12.93074 6.02192  1.000 32.78493  ? 133 PRO   A CD  1 
ATOM   936  N N   . PHE   A 1 137 ? 32.86593 -13.92900 8.74399  1.000 27.59646  ? 134 PHE   A N   1 
ATOM   937  C CA  . PHE   A 1 137 ? 32.40490 -14.27655 10.08109 1.000 23.94627  ? 134 PHE   A CA  1 
ATOM   938  C C   . PHE   A 1 137 ? 31.48935 -13.18808 10.63661 1.000 24.43442  ? 134 PHE   A C   1 
ATOM   939  O O   . PHE   A 1 137 ? 30.41932 -13.47960 11.19086 1.000 23.48764  ? 134 PHE   A O   1 
ATOM   940  C CB  . PHE   A 1 137 ? 33.62275 -14.49728 10.98200 1.000 24.47896  ? 134 PHE   A CB  1 
ATOM   941  C CG  . PHE   A 1 137 ? 33.29166 -15.13325 12.29605 1.000 23.28964  ? 134 PHE   A CG  1 
ATOM   942  C CD1 . PHE   A 1 137 ? 32.81528 -14.36930 13.35204 1.000 25.11235  ? 134 PHE   A CD1 1 
ATOM   943  C CD2 . PHE   A 1 137 ? 33.44367 -16.49785 12.47407 1.000 23.58182  ? 134 PHE   A CD2 1 
ATOM   944  C CE1 . PHE   A 1 137 ? 32.48728 -14.96506 14.55867 1.000 23.50244  ? 134 PHE   A CE1 1 
ATOM   945  C CE2 . PHE   A 1 137 ? 33.12677 -17.09754 13.68914 1.000 23.28671  ? 134 PHE   A CE2 1 
ATOM   946  C CZ  . PHE   A 1 137 ? 32.64523 -16.33187 14.72718 1.000 22.92797  ? 134 PHE   A CZ  1 
ATOM   947  N N   . GLU   A 1 138 ? 31.89905 -11.92357 10.49600 1.000 25.92131  ? 135 GLU   A N   1 
ATOM   948  C CA  . GLU   A 1 138 ? 31.07425 -10.81035 10.95456 1.000 24.72844  ? 135 GLU   A CA  1 
ATOM   949  C C   . GLU   A 1 138 ? 29.71764 -10.80241 10.26087 1.000 29.58095  ? 135 GLU   A C   1 
ATOM   950  O O   . GLU   A 1 138 ? 28.67279 -10.69363 10.91677 1.000 25.24406  ? 135 GLU   A O   1 
ATOM   951  C CB  . GLU   A 1 138 ? 31.79962 -9.48887  10.71501 1.000 27.18442  ? 135 GLU   A CB  1 
ATOM   952  C CG  . GLU   A 1 138 ? 30.90820 -8.26821  10.87190 1.000 31.73383  ? 135 GLU   A CG  1 
ATOM   953  C CD  . GLU   A 1 138 ? 31.60493 -6.99129  10.46600 1.000 36.71275  ? 135 GLU   A CD  1 
ATOM   954  O OE1 . GLU   A 1 138 ? 32.65290 -6.67731  11.06542 1.000 32.94464  ? 135 GLU   A OE1 1 
ATOM   955  O OE2 . GLU   A 1 138 ? 31.11038 -6.31318  9.53745  1.000 33.47018  ? 135 GLU   A OE2 1 
ATOM   956  N N   . ASP   A 1 139 ? 29.71245 -10.91998 8.92574  1.000 26.20669  ? 136 ASP   A N   1 
ATOM   957  C CA  . ASP   A 1 139 ? 28.45285 -10.84653 8.19298  1.000 25.13763  ? 136 ASP   A CA  1 
ATOM   958  C C   . ASP   A 1 139 ? 27.51368 -11.95501 8.61855  1.000 22.62227  ? 136 ASP   A C   1 
ATOM   959  O O   . ASP   A 1 139 ? 26.30903 -11.73290 8.78461  1.000 26.98507  ? 136 ASP   A O   1 
ATOM   960  C CB  . ASP   A 1 139 ? 28.69113 -10.92927 6.68118  1.000 27.08459  ? 136 ASP   A CB  1 
ATOM   961  C CG  . ASP   A 1 139 ? 29.18777 -9.62791  6.09098  1.000 34.22309  ? 136 ASP   A CG  1 
ATOM   962  O OD1 . ASP   A 1 139 ? 29.10924 -8.57911  6.77667  1.000 33.41609  ? 136 ASP   A OD1 1 
ATOM   963  O OD2 . ASP   A 1 139 ? 29.65860 -9.65578  4.92807  1.000 36.28290  ? 136 ASP   A OD2 1 
ATOM   964  N N   . ALA   A 1 140 ? 28.03965 -13.16410 8.78147  1.000 21.46353  ? 137 ALA   A N   1 
ATOM   965  C CA  . ALA   A 1 140 ? 27.17708 -14.26035 9.19982  1.000 21.16163  ? 137 ALA   A CA  1 
ATOM   966  C C   . ALA   A 1 140 ? 26.66786 -14.03356 10.61547 1.000 23.86716  ? 137 ALA   A C   1 
ATOM   967  O O   . ALA   A 1 140 ? 25.48956 -14.26042 10.90283 1.000 23.97253  ? 137 ALA   A O   1 
ATOM   968  C CB  . ALA   A 1 140 ? 27.92439 -15.58914 9.10419  1.000 23.45907  ? 137 ALA   A CB  1 
ATOM   969  N N   . SER   A 1 141 ? 27.53611 -13.54165 11.50075 1.000 22.75150  ? 138 SER   A N   1 
ATOM   970  C CA  . SER   A 1 141 ? 27.15233 -13.32962 12.89322 1.000 21.79987  ? 138 SER   A CA  1 
ATOM   971  C C   . SER   A 1 141 ? 26.00066 -12.34466 13.01588 1.000 23.68078  ? 138 SER   A C   1 
ATOM   972  O O   . SER   A 1 141 ? 25.05339 -12.57303 13.77482 1.000 24.24486  ? 138 SER   A O   1 
ATOM   973  C CB  . SER   A 1 141 ? 28.36023 -12.83618 13.68319 1.000 23.02284  ? 138 SER   A CB  1 
ATOM   974  O OG  . SER   A 1 141 ? 29.35063 -13.84867 13.74575 1.000 21.16965  ? 138 SER   A OG  1 
ATOM   975  N N   . PHE   A 1 142 ? 26.07039 -11.22679 12.29028 1.000 22.78229  ? 139 PHE   A N   1 
ATOM   976  C CA  . PHE   A 1 142 ? 25.03534 -10.20890 12.38301 1.000 25.79751  ? 139 PHE   A CA  1 
ATOM   977  C C   . PHE   A 1 142 ? 23.78662 -10.53873 11.57256 1.000 27.58496  ? 139 PHE   A C   1 
ATOM   978  O O   . PHE   A 1 142 ? 22.77090 -9.85595  11.73983 1.000 32.91618  ? 139 PHE   A O   1 
ATOM   979  C CB  . PHE   A 1 142 ? 25.60578 -8.84982  11.96254 1.000 27.78473  ? 139 PHE   A CB  1 
ATOM   980  C CG  . PHE   A 1 142 ? 26.38341 -8.17536  13.05843 1.000 26.57564  ? 139 PHE   A CG  1 
ATOM   981  C CD1 . PHE   A 1 142 ? 27.71397 -8.48278  13.26393 1.000 27.09440  ? 139 PHE   A CD1 1 
ATOM   982  C CD2 . PHE   A 1 142 ? 25.76708 -7.27310  13.90987 1.000 31.43350  ? 139 PHE   A CD2 1 
ATOM   983  C CE1 . PHE   A 1 142 ? 28.43156 -7.88732  14.28938 1.000 27.92780  ? 139 PHE   A CE1 1 
ATOM   984  C CE2 . PHE   A 1 142 ? 26.47414 -6.67882  14.92904 1.000 33.11119  ? 139 PHE   A CE2 1 
ATOM   985  C CZ  . PHE   A 1 142 ? 27.81241 -6.98341  15.11522 1.000 31.72621  ? 139 PHE   A CZ  1 
ATOM   986  N N   . ALA   A 1 143 ? 23.82730 -11.56437 10.71734 1.000 25.19340  ? 140 ALA   A N   1 
ATOM   987  C CA  . ALA   A 1 143 ? 22.63478 -11.99483 9.99706  1.000 25.53724  ? 140 ALA   A CA  1 
ATOM   988  C C   . ALA   A 1 143 ? 21.86239 -13.06545 10.75309 1.000 26.93533  ? 140 ALA   A C   1 
ATOM   989  O O   . ALA   A 1 143 ? 20.69501 -13.32580 10.43125 1.000 26.70611  ? 140 ALA   A O   1 
ATOM   990  C CB  . ALA   A 1 143 ? 23.01311 -12.51161 8.60181  1.000 25.86978  ? 140 ALA   A CB  1 
ATOM   991  N N   . LEU   A 1 144 ? 22.47704 -13.66894 11.76447 1.000 23.94377  ? 141 LEU   A N   1 
ATOM   992  C CA  . LEU   A 1 144 ? 21.78637 -14.63073 12.60464 1.000 23.66064  ? 141 LEU   A CA  1 
ATOM   993  C C   . LEU   A 1 144 ? 20.86254 -13.93190 13.59286 1.000 26.95801  ? 141 LEU   A C   1 
ATOM   994  O O   . LEU   A 1 144 ? 21.15170 -12.83485 14.08292 1.000 29.20590  ? 141 LEU   A O   1 
ATOM   995  C CB  . LEU   A 1 144 ? 22.79070 -15.48518 13.37982 1.000 22.92573  ? 141 LEU   A CB  1 
ATOM   996  C CG  . LEU   A 1 144 ? 23.69617 -16.42120 12.59266 1.000 22.56647  ? 141 LEU   A CG  1 
ATOM   997  C CD1 . LEU   A 1 144 ? 24.83480 -16.90550 13.47585 1.000 23.32447  ? 141 LEU   A CD1 1 
ATOM   998  C CD2 . LEU   A 1 144 ? 22.87675 -17.59851 12.07509 1.000 24.05209  ? 141 LEU   A CD2 1 
ATOM   999  N N   . ARG   A 1 145 ? 19.74541 -14.58890 13.89057 1.000 28.10783  ? 142 ARG   A N   1 
ATOM   1000 C CA  . ARG   A 1 145 ? 18.90727 -14.17861 15.00043 1.000 31.57954  ? 142 ARG   A CA  1 
ATOM   1001 C C   . ARG   A 1 145 ? 19.44194 -14.79023 16.29625 1.000 29.41348  ? 142 ARG   A C   1 
ATOM   1002 O O   . ARG   A 1 145 ? 20.21557 -15.75155 16.28303 1.000 28.61633  ? 142 ARG   A O   1 
ATOM   1003 C CB  . ARG   A 1 145 ? 17.45977 -14.60190 14.74720 1.000 39.27845  ? 142 ARG   A CB  1 
ATOM   1004 C CG  . ARG   A 1 145 ? 16.94373 -14.23920 13.34078 1.000 42.22048  ? 142 ARG   A CG  1 
ATOM   1005 C CD  . ARG   A 1 145 ? 15.66521 -15.00036 13.01140 1.000 50.99435  ? 142 ARG   A CD  1 
ATOM   1006 N NE  . ARG   A 1 145 ? 15.88623 -16.44334 13.03359 1.000 53.16108  ? 142 ARG   A NE  1 
ATOM   1007 C CZ  . ARG   A 1 145 ? 15.94187 -17.20713 11.95064 1.000 51.77289  ? 142 ARG   A CZ  1 
ATOM   1008 N NH1 . ARG   A 1 145 ? 15.72913 -16.70756 10.74211 1.000 51.71265  ? 142 ARG   A NH1 1 
ATOM   1009 N NH2 . ARG   A 1 145 ? 16.21379 -18.50401 12.08151 1.000 46.83103  ? 142 ARG   A NH2 1 
ATOM   1010 N N   . THR   A 1 146 ? 19.05329 -14.20496 17.42352 1.000 32.19918  ? 143 THR   A N   1 
ATOM   1011 C CA  . THR   A 1 146 ? 19.51214 -14.73313 18.70087 1.000 30.31481  ? 143 THR   A CA  1 
ATOM   1012 C C   . THR   A 1 146 ? 19.08055 -16.18513 18.83367 1.000 31.00115  ? 143 THR   A C   1 
ATOM   1013 O O   . THR   A 1 146 ? 17.90941 -16.51636 18.62462 1.000 30.69043  ? 143 THR   A O   1 
ATOM   1014 C CB  . THR   A 1 146 ? 18.95720 -13.90911 19.86285 1.000 36.08151  ? 143 THR   A CB  1 
ATOM   1015 O OG1 . THR   A 1 146 ? 19.49126 -12.58379 19.80033 1.000 43.47031  ? 143 THR   A OG1 1 
ATOM   1016 C CG2 . THR   A 1 146 ? 19.34747 -14.53143 21.18874 1.000 35.00576  ? 143 THR   A CG2 1 
ATOM   1017 N N   . GLY   A 1 147 ? 20.03429 -17.05525 19.15493 1.000 27.45223  ? 144 GLY   A N   1 
ATOM   1018 C CA  . GLY   A 1 147 ? 19.76873 -18.47404 19.28847 1.000 31.59604  ? 144 GLY   A CA  1 
ATOM   1019 C C   . GLY   A 1 147 ? 19.94027 -19.27840 18.01734 1.000 27.68001  ? 144 GLY   A C   1 
ATOM   1020 O O   . GLY   A 1 147 ? 19.87813 -20.51741 18.06817 1.000 27.61873  ? 144 GLY   A O   1 
ATOM   1021 N N   . GLU   A 1 148 ? 20.16350 -18.61845 16.88409 1.000 25.27619  ? 145 GLU   A N   1 
ATOM   1022 C CA  . GLU   A 1 148 ? 20.25698 -19.27691 15.59267 1.000 23.90097  ? 145 GLU   A CA  1 
ATOM   1023 C C   . GLU   A 1 148 ? 21.69749 -19.69302 15.29921 1.000 23.65492  ? 145 GLU   A C   1 
ATOM   1024 O O   . GLU   A 1 148 ? 22.65302 -19.08109 15.78149 1.000 24.10307  ? 145 GLU   A O   1 
ATOM   1025 C CB  . GLU   A 1 148 ? 19.74026 -18.34397 14.49997 1.000 25.18131  ? 145 GLU   A CB  1 
ATOM   1026 C CG  . GLU   A 1 148 ? 19.65752 -18.98213 13.14698 1.000 32.72162  ? 145 GLU   A CG  1 
ATOM   1027 C CD  . GLU   A 1 148 ? 19.23145 -18.00904 12.06727 1.000 38.16451  ? 145 GLU   A CD  1 
ATOM   1028 O OE1 . GLU   A 1 148 ? 18.93591 -16.82730 12.40524 1.000 34.51123  ? 145 GLU   A OE1 1 
ATOM   1029 O OE2 . GLU   A 1 148 ? 19.19038 -18.45086 10.88907 1.000 43.72181  ? 145 GLU   A OE2 1 
ATOM   1030 N N   . MET   A 1 149 ? 21.84497 -20.74563 14.49475 1.000 20.54807  ? 146 MET   A N   1 
ATOM   1031 C CA  . MET   A 1 149 ? 23.14690 -21.29607 14.14259 1.000 19.91995  ? 146 MET   A CA  1 
ATOM   1032 C C   . MET   A 1 149 ? 23.38088 -21.17192 12.64026 1.000 20.92218  ? 146 MET   A C   1 
ATOM   1033 O O   . MET   A 1 149 ? 22.44500 -21.26039 11.83678 1.000 21.08906  ? 146 MET   A O   1 
ATOM   1034 C CB  . MET   A 1 149 ? 23.25010 -22.77729 14.57370 1.000 19.98138  ? 146 MET   A CB  1 
ATOM   1035 C CG  . MET   A 1 149 ? 24.60996 -23.44960 14.33954 1.000 20.56169  ? 146 MET   A CG  1 
ATOM   1036 S SD  . MET   A 1 149 ? 24.59582 -25.18606 14.90010 1.000 24.06871  ? 146 MET   A SD  1 
ATOM   1037 C CE  . MET   A 1 149 ? 23.61983 -25.93399 13.61556 1.000 21.79737  ? 146 MET   A CE  1 
ATOM   1038 N N   . SER   A 1 150 ? 24.63304 -20.95637 12.25815 1.000 17.43129  ? 147 SER   A N   1 
ATOM   1039 C CA  . SER   A 1 150 ? 24.92694 -20.84012 10.83577 1.000 17.61950  ? 147 SER   A CA  1 
ATOM   1040 C C   . SER   A 1 150 ? 25.11244 -22.21007 10.19706 1.000 20.23043  ? 147 SER   A C   1 
ATOM   1041 O O   . SER   A 1 150 ? 25.17064 -23.23633 10.86913 1.000 20.07262  ? 147 SER   A O   1 
ATOM   1042 C CB  . SER   A 1 150 ? 26.19961 -20.02926 10.62754 1.000 19.47174  ? 147 SER   A CB  1 
ATOM   1043 O OG  . SER   A 1 150 ? 27.32385 -20.80216 11.04444 1.000 17.95538  ? 147 SER   A OG  1 
ATOM   1044 N N   . GLY   A 1 151 ? 25.27037 -22.20918 8.86935  1.000 20.70075  ? 148 GLY   A N   1 
ATOM   1045 C CA  . GLY   A 1 151 ? 25.88131 -23.32799 8.19202  1.000 20.12361  ? 148 GLY   A CA  1 
ATOM   1046 C C   . GLY   A 1 151 ? 27.38261 -23.10296 8.15040  1.000 21.44940  ? 148 GLY   A C   1 
ATOM   1047 O O   . GLY   A 1 151 ? 27.92486 -22.29555 8.90842  1.000 21.28273  ? 148 GLY   A O   1 
ATOM   1048 N N   . PRO   A 1 152 ? 28.08243 -23.83439 7.29374  1.000 18.82302  ? 149 PRO   A N   1 
ATOM   1049 C CA  . PRO   A 1 152 ? 29.53502 -23.64898 7.19086  1.000 19.50138  ? 149 PRO   A CA  1 
ATOM   1050 C C   . PRO   A 1 152 ? 29.86423 -22.23989 6.72434  1.000 21.51064  ? 149 PRO   A C   1 
ATOM   1051 O O   . PRO   A 1 152 ? 29.39573 -21.79201 5.67586  1.000 24.38387  ? 149 PRO   A O   1 
ATOM   1052 C CB  . PRO   A 1 152 ? 29.96594 -24.69399 6.15371  1.000 19.50635  ? 149 PRO   A CB  1 
ATOM   1053 C CG  . PRO   A 1 152 ? 28.80099 -25.60388 5.95603  1.000 29.94858  ? 149 PRO   A CG  1 
ATOM   1054 C CD  . PRO   A 1 152 ? 27.56157 -24.87091 6.38835  1.000 22.33791  ? 149 PRO   A CD  1 
ATOM   1055 N N   . VAL   A 1 153 ? 30.69209 -21.54801 7.50253  1.000 20.81400  ? 150 VAL   A N   1 
ATOM   1056 C CA  . VAL   A 1 153 ? 31.14801 -20.19679 7.18022  1.000 21.12947  ? 150 VAL   A CA  1 
ATOM   1057 C C   . VAL   A 1 153 ? 32.66057 -20.25010 6.97252  1.000 23.22992  ? 150 VAL   A C   1 
ATOM   1058 O O   . VAL   A 1 153 ? 33.39536 -20.71365 7.85236  1.000 22.87116  ? 150 VAL   A O   1 
ATOM   1059 C CB  . VAL   A 1 153 ? 30.75410 -19.19694 8.28401  1.000 19.85977  ? 150 VAL   A CB  1 
ATOM   1060 C CG1 . VAL   A 1 153 ? 31.34326 -17.79488 8.02122  1.000 23.36578  ? 150 VAL   A CG1 1 
ATOM   1061 C CG2 . VAL   A 1 153 ? 29.23728 -19.12953 8.39538  1.000 21.62597  ? 150 VAL   A CG2 1 
ATOM   1062 N N   . PHE   A 1 154 ? 33.12416 -19.79290 5.81023  1.000 23.07530  ? 151 PHE   A N   1 
ATOM   1063 C CA  . PHE   A 1 154 ? 34.52335 -19.92573 5.41393  1.000 23.11019  ? 151 PHE   A CA  1 
ATOM   1064 C C   . PHE   A 1 154 ? 35.28331 -18.63212 5.67751  1.000 25.87050  ? 151 PHE   A C   1 
ATOM   1065 O O   . PHE   A 1 154 ? 34.82843 -17.54834 5.29847  1.000 26.45612  ? 151 PHE   A O   1 
ATOM   1066 C CB  . PHE   A 1 154 ? 34.64511 -20.27948 3.92919  1.000 24.93192  ? 151 PHE   A CB  1 
ATOM   1067 C CG  . PHE   A 1 154 ? 34.11304 -21.63938 3.57011  1.000 24.16907  ? 151 PHE   A CG  1 
ATOM   1068 C CD1 . PHE   A 1 154 ? 32.75657 -21.85832 3.45956  1.000 24.03905  ? 151 PHE   A CD1 1 
ATOM   1069 C CD2 . PHE   A 1 154 ? 34.98221 -22.68337 3.29794  1.000 29.13973  ? 151 PHE   A CD2 1 
ATOM   1070 C CE1 . PHE   A 1 154 ? 32.26680 -23.10391 3.10610  1.000 27.87894  ? 151 PHE   A CE1 1 
ATOM   1071 C CE2 . PHE   A 1 154 ? 34.50069 -23.92964 2.95851  1.000 27.68190  ? 151 PHE   A CE2 1 
ATOM   1072 C CZ  . PHE   A 1 154 ? 33.14452 -24.13684 2.86323  1.000 25.43846  ? 151 PHE   A CZ  1 
ATOM   1073 N N   . THR   A 1 155 ? 36.44820 -18.75220 6.31409  1.000 25.72957  ? 152 THR   A N   1 
ATOM   1074 C CA  . THR   A 1 155 ? 37.37581 -17.64079 6.47953  1.000 27.46509  ? 152 THR   A CA  1 
ATOM   1075 C C   . THR   A 1 155 ? 38.77778 -18.14706 6.17703  1.000 28.26337  ? 152 THR   A C   1 
ATOM   1076 O O   . THR   A 1 155 ? 38.99513 -19.34116 5.94870  1.000 31.89927  ? 152 THR   A O   1 
ATOM   1077 C CB  . THR   A 1 155 ? 37.33735 -17.04989 7.89808  1.000 27.40795  ? 152 THR   A CB  1 
ATOM   1078 O OG1 . THR   A 1 155 ? 37.97682 -17.95976 8.79899  1.000 27.21916  ? 152 THR   A OG1 1 
ATOM   1079 C CG2 . THR   A 1 155 ? 35.91320 -16.81421 8.36488  1.000 28.62768  ? 152 THR   A CG2 1 
ATOM   1080 N N   . ASP   A 1 156 ? 39.75209 -17.23862 6.20467  1.000 28.81736  ? 153 ASP   A N   1 
ATOM   1081 C CA  . ASP   A 1 156 ? 41.12942 -17.67834 6.02736  1.000 31.14777  ? 153 ASP   A CA  1 
ATOM   1082 C C   . ASP   A 1 156 ? 41.58679 -18.60899 7.14359  1.000 31.38828  ? 153 ASP   A C   1 
ATOM   1083 O O   . ASP   A 1 156 ? 42.59850 -19.29985 6.98189  1.000 34.39457  ? 153 ASP   A O   1 
ATOM   1084 C CB  . ASP   A 1 156 ? 42.05861 -16.47363 5.93832  1.000 33.14504  ? 153 ASP   A CB  1 
ATOM   1085 C CG  . ASP   A 1 156 ? 42.00471 -15.79926 4.58937  1.000 44.41209  ? 153 ASP   A CG  1 
ATOM   1086 O OD1 . ASP   A 1 156 ? 41.15426 -16.18860 3.74902  1.000 42.95394  ? 153 ASP   A OD1 1 
ATOM   1087 O OD2 . ASP   A 1 156 ? 42.82807 -14.88610 4.36340  1.000 47.76698  ? 153 ASP   A OD2 1 
ATOM   1088 N N   . SER   A 1 157 ? 40.87539 -18.63555 8.27492  1.000 28.70004  ? 154 SER   A N   1 
ATOM   1089 C CA  . SER   A 1 157 ? 41.22066 -19.54141 9.36097  1.000 29.84489  ? 154 SER   A CA  1 
ATOM   1090 C C   . SER   A 1 157 ? 40.75858 -20.96639 9.09865  1.000 31.57233  ? 154 SER   A C   1 
ATOM   1091 O O   . SER   A 1 157 ? 41.35222 -21.91349 9.62521  1.000 28.89464  ? 154 SER   A O   1 
ATOM   1092 C CB  . SER   A 1 157 ? 40.58325 -19.06595 10.66959 1.000 30.47150  ? 154 SER   A CB  1 
ATOM   1093 O OG  . SER   A 1 157 ? 41.03055 -17.76184 10.98687 1.000 42.39548  ? 154 SER   A OG  1 
ATOM   1094 N N   . GLY   A 1 158 ? 39.70176 -21.13474 8.33506  1.000 27.39711  ? 155 GLY   A N   1 
ATOM   1095 C CA  . GLY   A 1 158 ? 39.13566 -22.44859 8.13637  1.000 25.08202  ? 155 GLY   A CA  1 
ATOM   1096 C C   . GLY   A 1 158 ? 37.63614 -22.33361 7.96493  1.000 25.21512  ? 155 GLY   A C   1 
ATOM   1097 O O   . GLY   A 1 158 ? 37.14127 -21.35246 7.41629  1.000 28.72868  ? 155 GLY   A O   1 
ATOM   1098 N N   . ILE   A 1 159 ? 36.92587 -23.35125 8.44062  1.000 21.94940  ? 156 ILE   A N   1 
ATOM   1099 C CA  . ILE   A 1 159 ? 35.47968 -23.41838 8.29635  1.000 20.29618  ? 156 ILE   A CA  1 
ATOM   1100 C C   . ILE   A 1 159 ? 34.85742 -23.37731 9.68458  1.000 21.58954  ? 156 ILE   A C   1 
ATOM   1101 O O   . ILE   A 1 159 ? 35.24467 -24.15704 10.56553 1.000 20.50352  ? 156 ILE   A O   1 
ATOM   1102 C CB  . ILE   A 1 159 ? 35.05157 -24.68321 7.53805  1.000 22.08789  ? 156 ILE   A CB  1 
ATOM   1103 C CG1 . ILE   A 1 159 ? 35.85545 -24.80159 6.23843  1.000 21.42300  ? 156 ILE   A CG1 1 
ATOM   1104 C CG2 . ILE   A 1 159 ? 33.56920 -24.60947 7.19382  1.000 21.91225  ? 156 ILE   A CG2 1 
ATOM   1105 C CD1 . ILE   A 1 159 ? 35.62877 -26.10855 5.49420  1.000 25.24922  ? 156 ILE   A CD1 1 
ATOM   1106 N N   . HIS   A 1 160 ? 33.89473 -22.47076 9.87298  1.000 20.80861  ? 157 HIS   A N   1 
ATOM   1107 C CA  . HIS   A 1 160 ? 33.26507 -22.22874 11.16709 1.000 18.81330  ? 157 HIS   A CA  1 
ATOM   1108 C C   . HIS   A 1 160 ? 31.80834 -22.66656 11.16124 1.000 20.51814  ? 157 HIS   A C   1 
ATOM   1109 O O   . HIS   A 1 160 ? 31.12280 -22.57362 10.13958 1.000 20.36440  ? 157 HIS   A O   1 
ATOM   1110 C CB  . HIS   A 1 160 ? 33.26462 -20.73614 11.54444 1.000 19.86965  ? 157 HIS   A CB  1 
ATOM   1111 C CG  . HIS   A 1 160 ? 34.60160 -20.07480 11.50354 1.000 21.31831  ? 157 HIS   A CG  1 
ATOM   1112 N ND1 . HIS   A 1 160 ? 35.28836 -19.70937 12.64219 1.000 22.98467  ? 157 HIS   A ND1 1 
ATOM   1113 C CD2 . HIS   A 1 160 ? 35.35729 -19.66307 10.45921 1.000 23.33882  ? 157 HIS   A CD2 1 
ATOM   1114 C CE1 . HIS   A 1 160 ? 36.41982 -19.12085 12.30098 1.000 24.45735  ? 157 HIS   A CE1 1 
ATOM   1115 N NE2 . HIS   A 1 160 ? 36.48937 -19.08366 10.98162 1.000 25.01127  ? 157 HIS   A NE2 1 
ATOM   1116 N N   . ILE   A 1 161 ? 31.33208 -23.11320 12.32815 1.000 18.23506  ? 158 ILE   A N   1 
ATOM   1117 C CA  . ILE   A 1 161 ? 29.91112 -23.12496 12.65511 1.000 17.08987  ? 158 ILE   A CA  1 
ATOM   1118 C C   . ILE   A 1 161 ? 29.73027 -22.03816 13.69423 1.000 19.07296  ? 158 ILE   A C   1 
ATOM   1119 O O   . ILE   A 1 161 ? 30.49418 -21.98916 14.66539 1.000 19.09560  ? 158 ILE   A O   1 
ATOM   1120 C CB  . ILE   A 1 161 ? 29.45013 -24.47596 13.22595 1.000 20.65382  ? 158 ILE   A CB  1 
ATOM   1121 C CG1 . ILE   A 1 161 ? 29.78692 -25.61316 12.27594 1.000 23.76373  ? 158 ILE   A CG1 1 
ATOM   1122 C CG2 . ILE   A 1 161 ? 27.95960 -24.44089 13.51639 1.000 25.20553  ? 158 ILE   A CG2 1 
ATOM   1123 C CD1 . ILE   A 1 161 ? 29.59756 -26.97437 12.93539 1.000 25.14517  ? 158 ILE   A CD1 1 
ATOM   1124 N N   . ILE   A 1 162 ? 28.75194 -21.15637 13.49331 1.000 19.95378  ? 159 ILE   A N   1 
ATOM   1125 C CA  . ILE   A 1 162 ? 28.57770 -20.00339 14.37879 1.000 20.48832  ? 159 ILE   A CA  1 
ATOM   1126 C C   . ILE   A 1 162 ? 27.23097 -20.10465 15.08390 1.000 18.20326  ? 159 ILE   A C   1 
ATOM   1127 O O   . ILE   A 1 162 ? 26.21010 -20.36993 14.44359 1.000 19.29599  ? 159 ILE   A O   1 
ATOM   1128 C CB  . ILE   A 1 162 ? 28.68226 -18.67442 13.61141 1.000 18.14221  ? 159 ILE   A CB  1 
ATOM   1129 C CG1 . ILE   A 1 162 ? 29.99992 -18.61806 12.84483 1.000 19.88814  ? 159 ILE   A CG1 1 
ATOM   1130 C CG2 . ILE   A 1 162 ? 28.57274 -17.50640 14.60009 1.000 20.03421  ? 159 ILE   A CG2 1 
ATOM   1131 C CD1 . ILE   A 1 162 ? 30.10057 -17.45637 11.84041 1.000 20.22969  ? 159 ILE   A CD1 1 
ATOM   1132 N N   . LEU   A 1 163 ? 27.23335 -19.87401 16.40080 1.000 19.46891  ? 160 LEU   A N   1 
ATOM   1133 C CA  . LEU   A 1 163 ? 26.01622 -19.84015 17.20509 1.000 19.12596  ? 160 LEU   A CA  1 
ATOM   1134 C C   . LEU   A 1 163 ? 25.89078 -18.44391 17.79016 1.000 22.35822  ? 160 LEU   A C   1 
ATOM   1135 O O   . LEU   A 1 163 ? 26.74271 -18.02953 18.57774 1.000 21.77384  ? 160 LEU   A O   1 
ATOM   1136 C CB  . LEU   A 1 163 ? 26.06343 -20.87708 18.33166 1.000 18.50987  ? 160 LEU   A CB  1 
ATOM   1137 C CG  . LEU   A 1 163 ? 24.85008 -20.92828 19.26094 1.000 23.24029  ? 160 LEU   A CG  1 
ATOM   1138 C CD1 . LEU   A 1 163 ? 23.58280 -21.29273 18.49452 1.000 23.68900  ? 160 LEU   A CD1 1 
ATOM   1139 C CD2 . LEU   A 1 163 ? 25.08195 -21.89846 20.41910 1.000 23.25566  ? 160 LEU   A CD2 1 
ATOM   1140 N N   . ARG   A 1 164 ? 24.84727 -17.71520 17.40616 1.000 24.97612  ? 161 ARG   A N   1 
ATOM   1141 C CA  . ARG   A 1 164 ? 24.60219 -16.41827 18.02568 1.000 23.34749  ? 161 ARG   A CA  1 
ATOM   1142 C C   . ARG   A 1 164 ? 23.88344 -16.63102 19.34661 1.000 24.29248  ? 161 ARG   A C   1 
ATOM   1143 O O   . ARG   A 1 164 ? 22.78673 -17.20243 19.37460 1.000 25.84924  ? 161 ARG   A O   1 
ATOM   1144 C CB  . ARG   A 1 164 ? 23.77689 -15.50408 17.12653 1.000 22.00271  ? 161 ARG   A CB  1 
ATOM   1145 C CG  . ARG   A 1 164 ? 23.51825 -14.18123 17.84385 1.000 25.55644  ? 161 ARG   A CG  1 
ATOM   1146 C CD  . ARG   A 1 164 ? 22.83844 -13.14107 16.98094 1.000 24.62507  ? 161 ARG   A CD  1 
ATOM   1147 N NE  . ARG   A 1 164 ? 22.45235 -12.01258 17.82100 1.000 26.00773  ? 161 ARG   A NE  1 
ATOM   1148 C CZ  . ARG   A 1 164 ? 21.59471 -11.07064 17.45782 1.000 34.43270  ? 161 ARG   A CZ  1 
ATOM   1149 N NH1 . ARG   A 1 164 ? 21.04545 -11.06515 16.25088 1.000 32.27065  ? 161 ARG   A NH1 1 
ATOM   1150 N NH2 . ARG   A 1 164 ? 21.27736 -10.11478 18.32814 1.000 32.93425  ? 161 ARG   A NH2 1 
ATOM   1151 N N   . THR   A 1 165 ? 24.49935 -16.18015 20.44096 1.000 23.87880  ? 162 THR   A N   1 
ATOM   1152 C CA  . THR   A 1 165 ? 23.92880 -16.38693 21.76448 1.000 24.61777  ? 162 THR   A CA  1 
ATOM   1153 C C   . THR   A 1 165 ? 23.28569 -15.13466 22.34241 1.000 25.98638  ? 162 THR   A C   1 
ATOM   1154 O O   . THR   A 1 165 ? 22.44915 -15.25233 23.24028 1.000 28.10065  ? 162 THR   A O   1 
ATOM   1155 C CB  . THR   A 1 165 ? 24.99797 -16.89764 22.73746 1.000 29.29364  ? 162 THR   A CB  1 
ATOM   1156 O OG1 . THR   A 1 165 ? 26.08660 -15.97306 22.77639 1.000 25.79150  ? 162 THR   A OG1 1 
ATOM   1157 C CG2 . THR   A 1 165 ? 25.51434 -18.26465 22.31201 1.000 25.89140  ? 162 THR   A CG2 1 
ATOM   1158 N N   A GLU   A 1 166 ? 23.62496 -13.95375 21.82647 0.443 26.37795  ? 163 GLU   A N   1 
ATOM   1159 N N   B GLU   A 1 166 ? 23.69006 -13.95147 21.89224 0.557 26.62028  ? 163 GLU   A N   1 
ATOM   1160 C CA  A GLU   A 1 166 ? 22.99104 -12.70355 22.24235 0.443 29.08468  ? 163 GLU   A CA  1 
ATOM   1161 C CA  B GLU   A 1 166 ? 23.12241 -12.69586 22.37225 0.557 29.16525  ? 163 GLU   A CA  1 
ATOM   1162 C C   A GLU   A 1 166 ? 22.73434 -11.78556 21.05027 0.443 29.09032  ? 163 GLU   A C   1 
ATOM   1163 C C   B GLU   A 1 166 ? 23.17668 -11.66379 21.25656 0.557 27.93622  ? 163 GLU   A C   1 
ATOM   1164 O O   A GLU   A 1 166 ? 22.25020 -10.66306 21.21215 0.443 24.63060  ? 163 GLU   A O   1 
ATOM   1165 O O   B GLU   A 1 166 ? 23.88874 -11.84909 20.27183 0.557 22.63527  ? 163 GLU   A O   1 
ATOM   1166 C CB  A GLU   A 1 166 ? 23.85316 -11.97071 23.26914 0.443 28.59437  ? 163 GLU   A CB  1 
ATOM   1167 C CB  B GLU   A 1 166 ? 23.87155 -12.16971 23.60225 0.557 28.73075  ? 163 GLU   A CB  1 
ATOM   1168 C CG  A GLU   A 1 166 ? 24.06752 -12.71279 24.57898 0.443 30.23005  ? 163 GLU   A CG  1 
ATOM   1169 C CG  B GLU   A 1 166 ? 23.79483 -13.04029 24.85339 0.557 29.57060  ? 163 GLU   A CG  1 
ATOM   1170 C CD  A GLU   A 1 166 ? 25.04189 -11.99110 25.48800 0.443 31.70131  ? 163 GLU   A CD  1 
ATOM   1171 C CD  B GLU   A 1 166 ? 24.53599 -12.43769 26.03213 0.557 32.45126  ? 163 GLU   A CD  1 
ATOM   1172 O OE1 A GLU   A 1 166 ? 25.52703 -10.90634 25.09657 0.443 31.08513  ? 163 GLU   A OE1 1 
ATOM   1173 O OE1 B GLU   A 1 166 ? 24.65196 -11.18950 26.09247 0.557 35.40129  ? 163 GLU   A OE1 1 
ATOM   1174 O OE2 A GLU   A 1 166 ? 25.32860 -12.50570 26.59269 0.443 35.41519  ? 163 GLU   A OE2 1 
ATOM   1175 O OE2 B GLU   A 1 166 ? 25.00231 -13.21265 26.90175 0.557 35.39185  ? 163 GLU   A OE2 1 
HETATM 1176 C C   . ACE   B 2 1   ? 39.80090 -18.32983 16.52050 1.000 46.54224  ? 1   ACE   B C   1 
HETATM 1177 O O   . ACE   B 2 1   ? 39.10907 -18.16869 15.56821 1.000 41.86203  ? 1   ACE   B O   1 
HETATM 1178 C CH3 . ACE   B 2 1   ? 40.29790 -19.69099 16.90075 1.000 42.19768  ? 1   ACE   B CH3 1 
ATOM   1179 N N   . PHE   B 2 2   ? 40.16050 -17.29489 17.45391 1.000 42.15741  ? 2   PHE   B N   1 
ATOM   1180 C CA  . PHE   B 2 2   ? 39.73216 -15.93597 17.26370 1.000 49.53975  ? 2   PHE   B CA  1 
ATOM   1181 C C   . PHE   B 2 2   ? 40.06244 -15.51540 15.83257 1.000 43.95461  ? 2   PHE   B C   1 
ATOM   1182 O O   . PHE   B 2 2   ? 41.14174 -15.59459 15.35259 1.000 48.82059  ? 2   PHE   B O   1 
ATOM   1183 C CB  . PHE   B 2 2   ? 40.34836 -15.06577 18.35591 1.000 51.64984  ? 2   PHE   B CB  1 
ATOM   1184 C CG  . PHE   B 2 2   ? 39.66422 -15.34058 19.70153 1.000 54.73750  ? 2   PHE   B CG  1 
ATOM   1185 C CD1 . PHE   B 2 2   ? 40.02447 -16.45335 20.46010 1.000 53.06854  ? 2   PHE   B CD1 1 
ATOM   1186 C CD2 . PHE   B 2 2   ? 38.67840 -14.47909 20.16790 1.000 49.24994  ? 2   PHE   B CD2 1 
ATOM   1187 C CE1 . PHE   B 2 2   ? 39.40693 -16.70197 21.68110 1.000 52.15440  ? 2   PHE   B CE1 1 
ATOM   1188 C CE2 . PHE   B 2 2   ? 38.06600 -14.72727 21.39446 1.000 56.50547  ? 2   PHE   B CE2 1 
ATOM   1189 C CZ  . PHE   B 2 2   ? 38.42511 -15.83814 22.15274 1.000 51.40963  ? 2   PHE   B CZ  1 
HETATM 1190 C C   . YCP   B 2 3   ? 38.95289 -13.12931 13.66104 1.000 41.47610  ? 3   YCP   B C   1 
HETATM 1191 N N   . YCP   B 2 3   ? 38.92753 -15.06260 15.08199 1.000 44.70068  ? 3   YCP   B N   1 
HETATM 1192 O O   . YCP   B 2 3   ? 38.08690 -12.56715 13.08313 1.000 40.04016  ? 3   YCP   B O   1 
HETATM 1193 C CA  . YCP   B 2 3   ? 38.99250 -14.62960 13.65629 1.000 38.85883  ? 3   YCP   B CA  1 
HETATM 1194 C CB  . YCP   B 2 3   ? 37.84878 -15.13532 12.79000 1.000 42.34895  ? 3   YCP   B CB  1 
HETATM 1195 C CD  . YCP   B 2 3   ? 36.42732 -15.31847 14.76265 1.000 37.98842  ? 3   YCP   B CD  1 
HETATM 1196 C CE  . YCP   B 2 3   ? 37.56277 -15.00147 15.71403 1.000 45.04786  ? 3   YCP   B CE  1 
HETATM 1197 C CG  . YCP   B 2 3   ? 36.91781 -15.98683 13.54684 1.000 42.73171  ? 3   YCP   B CG  1 
HETATM 1198 N N   . A1A2Y B 2 4   ? 39.97832 -12.41813 14.39206 1.000 34.93876  ? 4   A1A2Y B N   1 
HETATM 1199 C CA  . A1A2Y B 2 4   ? 39.96481 -10.97105 14.40230 1.000 43.30698  ? 4   A1A2Y B CA  1 
HETATM 1200 C C   . A1A2Y B 2 4   ? 40.27837 -10.50680 12.98230 1.000 41.45913  ? 4   A1A2Y B C   1 
HETATM 1201 C CB  . A1A2Y B 2 4   ? 41.03058 -10.42768 15.35396 1.000 43.43292  ? 4   A1A2Y B CB  1 
HETATM 1202 C CG  . A1A2Y B 2 4   ? 40.85592 -10.95815 16.77469 1.000 53.54401  ? 4   A1A2Y B CG  1 
HETATM 1203 C CD1 . A1A2Y B 2 4   ? 41.65072 -11.92468 17.37994 1.000 54.92153  ? 4   A1A2Y B CD1 1 
HETATM 1204 C CE2 . A1A2Y B 2 4   ? 40.09500 -11.31676 18.83107 1.000 58.84563  ? 4   A1A2Y B CE2 1 
HETATM 1205 C CD2 . A1A2Y B 2 4   ? 39.85752 -10.57305 17.70460 1.000 56.71575  ? 4   A1A2Y B CD2 1 
HETATM 1206 C CE3 . A1A2Y B 2 4   ? 38.77402 -9.65471  17.68544 1.000 55.79290  ? 4   A1A2Y B CE3 1 
HETATM 1207 C CZ3 . A1A2Y B 2 4   ? 37.95580 -9.50805  18.80617 1.000 53.47864  ? 4   A1A2Y B CZ3 1 
HETATM 1208 O O23 . A1A2Y B 2 4   ? 36.89226 -8.59052  18.76752 1.000 51.86921  ? 4   A1A2Y B O23 1 
HETATM 1209 C C24 . A1A2Y B 2 4   ? 36.15087 -8.47676  19.95028 1.000 52.17676  ? 4   A1A2Y B C24 1 
HETATM 1210 C CZ2 . A1A2Y B 2 4   ? 39.26240 -11.16658 19.97546 1.000 59.88943  ? 4   A1A2Y B CZ2 1 
HETATM 1211 N NE1 . A1A2Y B 2 4   ? 41.18445 -12.11772 18.61246 1.000 58.67960  ? 4   A1A2Y B NE1 1 
HETATM 1212 C CH2 . A1A2Y B 2 4   ? 38.20126 -10.26978 19.95326 1.000 57.31984  ? 4   A1A2Y B CH2 1 
HETATM 1213 O O   . A1A2Y B 2 4   ? 40.97585 -11.17242 12.28729 1.000 44.63454  ? 4   A1A2Y B O   1 
HETATM 1214 N N   . NH2   B 2 5   ? 39.71572 -9.26032  12.49215 1.000 43.91630  ? 5   NH2   B N   1 
HETATM 1215 S S   . SO4   C 3 .   ? 51.11102 -35.72929 15.89088 1.000 198.70778 ? 201 SO4   A S   1 
HETATM 1216 O O1  . SO4   C 3 .   ? 52.05398 -35.13044 16.82921 1.000 175.50374 ? 201 SO4   A O1  1 
HETATM 1217 O O2  . SO4   C 3 .   ? 50.27498 -34.69128 15.29863 1.000 172.40241 ? 201 SO4   A O2  1 
HETATM 1218 O O3  . SO4   C 3 .   ? 50.26296 -36.68501 16.59628 1.000 192.97170 ? 201 SO4   A O3  1 
HETATM 1219 O O4  . SO4   C 3 .   ? 51.85378 -36.41378 14.83744 1.000 173.55285 ? 201 SO4   A O4  1 
HETATM 1220 S S   . SO4   D 3 .   ? 44.54260 -18.81609 11.64609 1.000 62.64985  ? 202 SO4   A S   1 
HETATM 1221 O O1  . SO4   D 3 .   ? 44.49705 -19.95513 10.72366 1.000 42.41262  ? 202 SO4   A O1  1 
HETATM 1222 O O2  . SO4   D 3 .   ? 43.30798 -18.04421 11.55154 1.000 64.34354  ? 202 SO4   A O2  1 
HETATM 1223 O O3  . SO4   D 3 .   ? 44.68663 -19.30747 13.02048 1.000 64.20123  ? 202 SO4   A O3  1 
HETATM 1224 O O4  . SO4   D 3 .   ? 45.65505 -17.92047 11.32679 1.000 62.80983  ? 202 SO4   A O4  1 
HETATM 1225 S S   . SO4   E 3 .   ? 43.86997 -18.87250 18.53171 1.000 83.61495  ? 203 SO4   A S   1 
HETATM 1226 O O1  . SO4   E 3 .   ? 43.54229 -17.97291 19.63446 1.000 77.71911  ? 203 SO4   A O1  1 
HETATM 1227 O O2  . SO4   E 3 .   ? 43.51982 -18.22135 17.27168 1.000 78.07099  ? 203 SO4   A O2  1 
HETATM 1228 O O3  . SO4   E 3 .   ? 45.29870 -19.18393 18.54614 1.000 81.37458  ? 203 SO4   A O3  1 
HETATM 1229 O O4  . SO4   E 3 .   ? 43.11593 -20.11484 18.67565 1.000 67.43821  ? 203 SO4   A O4  1 
HETATM 1230 S S   . SO4   F 3 .   ? 17.06661 -10.83846 17.29369 1.000 89.10930  ? 204 SO4   A S   1 
HETATM 1231 O O1  . SO4   F 3 .   ? 17.99104 -10.13476 16.40221 1.000 69.03662  ? 204 SO4   A O1  1 
HETATM 1232 O O2  . SO4   F 3 .   ? 17.33154 -10.45568 18.67907 1.000 77.12872  ? 204 SO4   A O2  1 
HETATM 1233 O O3  . SO4   F 3 .   ? 15.69148 -10.48631 16.94238 1.000 98.42420  ? 204 SO4   A O3  1 
HETATM 1234 O O4  . SO4   F 3 .   ? 17.23974 -12.28133 17.15334 1.000 62.02063  ? 204 SO4   A O4  1 
HETATM 1235 S S   . SO4   G 3 .   ? 15.70813 -26.46182 -8.30487 1.000 136.68618 ? 205 SO4   A S   1 
HETATM 1236 O O1  . SO4   G 3 .   ? 15.83623 -27.37270 -9.43594 1.000 124.24766 ? 205 SO4   A O1  1 
HETATM 1237 O O2  . SO4   G 3 .   ? 16.85802 -26.61475 -7.41705 1.000 122.89536 ? 205 SO4   A O2  1 
HETATM 1238 O O3  . SO4   G 3 .   ? 15.62835 -25.08913 -8.79358 1.000 124.72000 ? 205 SO4   A O3  1 
HETATM 1239 O O4  . SO4   G 3 .   ? 14.49398 -26.77818 -7.56657 1.000 126.37524 ? 205 SO4   A O4  1 
HETATM 1240 S S1  . DTT   H 4 .   ? 39.08935 -34.81929 13.59454 1.000 59.06015  ? 206 DTT   A S1  1 
HETATM 1241 C C1  . DTT   H 4 .   ? 39.36839 -35.59444 11.97114 1.000 60.45726  ? 206 DTT   A C1  1 
HETATM 1242 C C2  . DTT   H 4 .   ? 40.76559 -35.43939 11.36968 1.000 53.47503  ? 206 DTT   A C2  1 
HETATM 1243 O O2  . DTT   H 4 .   ? 40.68749 -34.84425 10.09079 1.000 44.54953  ? 206 DTT   A O2  1 
HETATM 1244 C C3  . DTT   H 4 .   ? 41.37476 -36.80865 11.13985 1.000 67.08090  ? 206 DTT   A C3  1 
HETATM 1245 O O3  . DTT   H 4 .   ? 40.80998 -37.31970 9.95191  1.000 79.11647  ? 206 DTT   A O3  1 
HETATM 1246 C C4  . DTT   H 4 .   ? 42.90222 -36.77351 11.03481 1.000 77.06828  ? 206 DTT   A C4  1 
HETATM 1247 S S4  . DTT   H 4 .   ? 43.59175 -35.37304 10.10950 1.000 68.69205  ? 206 DTT   A S4  1 
HETATM 1248 O O22 . P33   I 5 .   ? 20.03068 -22.90872 11.54494 1.000 35.01709  ? 207 P33   A O22 1 
HETATM 1249 C C21 . P33   I 5 .   ? 21.05235 -23.75137 11.16674 1.000 29.17176  ? 207 P33   A C21 1 
HETATM 1250 C C20 . P33   I 5 .   ? 20.75447 -23.73125 9.69035  1.000 37.27162  ? 207 P33   A C20 1 
HETATM 1251 O O19 . P33   I 5 .   ? 21.32545 -24.79164 9.03755  1.000 25.98436  ? 207 P33   A O19 1 
HETATM 1252 C C18 . P33   I 5 .   ? 22.70479 -24.79261 9.00829  1.000 24.57781  ? 207 P33   A C18 1 
HETATM 1253 C C17 . P33   I 5 .   ? 22.95200 -25.69659 7.82991  1.000 25.96983  ? 207 P33   A C17 1 
HETATM 1254 O O16 . P33   I 5 .   ? 22.25242 -26.95101 8.06376  1.000 24.51216  ? 207 P33   A O16 1 
HETATM 1255 C C15 . P33   I 5 .   ? 22.96161 -27.95308 7.35065  1.000 31.24712  ? 207 P33   A C15 1 
HETATM 1256 C C14 . P33   I 5 .   ? 22.04600 -29.00129 6.75593  1.000 33.37196  ? 207 P33   A C14 1 
HETATM 1257 O O13 . P33   I 5 .   ? 21.36305 -29.62248 7.77535  1.000 35.91773  ? 207 P33   A O13 1 
HETATM 1258 C C12 . P33   I 5 .   ? 20.10719 -29.10209 7.80487  1.000 21.41404  ? 207 P33   A C12 1 
HETATM 1259 C C11 . P33   I 5 .   ? 18.89815 -30.13018 7.92020  1.000 24.39204  ? 207 P33   A C11 1 
HETATM 1260 O O10 . P33   I 5 .   ? 17.99750 -29.48779 7.00290  1.000 26.91539  ? 207 P33   A O10 1 
HETATM 1261 C C9  . P33   I 5 .   ? 16.62091 -29.35251 7.28999  1.000 28.12468  ? 207 P33   A C9  1 
HETATM 1262 C C8  . P33   I 5 .   ? 16.03002 -28.43201 6.15486  1.000 29.76126  ? 207 P33   A C8  1 
HETATM 1263 O O7  . P33   I 5 .   ? 16.45844 -28.96588 4.89338  1.000 28.82447  ? 207 P33   A O7  1 
HETATM 1264 C C6  . P33   I 5 .   ? 15.85534 -28.35578 3.77310  1.000 29.49104  ? 207 P33   A C6  1 
HETATM 1265 C C5  . P33   I 5 .   ? 16.42326 -29.07574 2.51293  1.000 31.22621  ? 207 P33   A C5  1 
HETATM 1266 O O4  . P33   I 5 .   ? 17.82018 -28.93728 2.62080  1.000 36.38625  ? 207 P33   A O4  1 
HETATM 1267 C C3  . P33   I 5 .   ? 18.51204 -29.25170 1.41005  1.000 45.46824  ? 207 P33   A C3  1 
HETATM 1268 C C2  . P33   I 5 .   ? 19.57659 -28.12669 1.16539  1.000 42.93593  ? 207 P33   A C2  1 
HETATM 1269 O O1  . P33   I 5 .   ? 20.67013 -28.46691 1.97876  1.000 44.69893  ? 207 P33   A O1  1 
HETATM 1270 O O   . HOH   J 6 .   ? 27.44865 -33.40116 22.90957 1.000 51.11569  ? 301 HOH   A O   1 
HETATM 1271 O O   . HOH   J 6 .   ? 48.14752 -35.26013 14.64933 1.000 71.75689  ? 302 HOH   A O   1 
HETATM 1272 O O   . HOH   J 6 .   ? 29.70930 -35.34423 6.65513  1.000 37.12577  ? 303 HOH   A O   1 
HETATM 1273 O O   . HOH   J 6 .   ? 18.60022 -8.57109  14.71613 1.000 61.86255  ? 304 HOH   A O   1 
HETATM 1274 O O   . HOH   J 6 .   ? 18.19129 -21.21449 10.37272 1.000 36.34753  ? 305 HOH   A O   1 
HETATM 1275 O O   . HOH   J 6 .   ? 20.60260 -17.69639 9.08164  1.000 26.57238  ? 306 HOH   A O   1 
HETATM 1276 O O   . HOH   J 6 .   ? 36.43381 -28.77334 -3.25724 1.000 64.81019  ? 307 HOH   A O   1 
HETATM 1277 O O   . HOH   J 6 .   ? 16.02718 -20.11733 -4.64380 1.000 45.84955  ? 308 HOH   A O   1 
HETATM 1278 O O   . HOH   J 6 .   ? 18.77467 -8.02538  17.33994 1.000 60.62866  ? 309 HOH   A O   1 
HETATM 1279 O O   . HOH   J 6 .   ? 41.33933 -21.53217 0.67559  1.000 61.82010  ? 310 HOH   A O   1 
HETATM 1280 O O   . HOH   J 6 .   ? 28.04220 -3.04335  15.06594 1.000 41.54756  ? 311 HOH   A O   1 
HETATM 1281 O O   . HOH   J 6 .   ? 19.22066 -21.99507 13.72469 1.000 37.59781  ? 312 HOH   A O   1 
HETATM 1282 O O   . HOH   J 6 .   ? 36.68655 -35.82688 22.83530 1.000 32.86323  ? 313 HOH   A O   1 
HETATM 1283 O O   . HOH   J 6 .   ? 23.27913 -8.18409  21.19246 1.000 36.08520  ? 314 HOH   A O   1 
HETATM 1284 O O   . HOH   J 6 .   ? 33.08786 -7.67222  13.38924 1.000 36.48961  ? 315 HOH   A O   1 
HETATM 1285 O O   . HOH   J 6 .   ? 51.18072 -32.78049 13.80415 1.000 58.94549  ? 316 HOH   A O   1 
HETATM 1286 O O   . HOH   J 6 .   ? 35.81383 -22.65569 19.40927 1.000 24.89767  ? 317 HOH   A O   1 
HETATM 1287 O O   . HOH   J 6 .   ? 29.52363 -21.38908 24.02395 1.000 27.84302  ? 318 HOH   A O   1 
HETATM 1288 O O   . HOH   J 6 .   ? 20.36517 -16.67272 -4.39121 1.000 38.69788  ? 319 HOH   A O   1 
HETATM 1289 O O   . HOH   J 6 .   ? 19.71772 -16.65912 -0.05490 1.000 38.48417  ? 320 HOH   A O   1 
HETATM 1290 O O   . HOH   J 6 .   ? 8.78906  -26.04755 4.10215  1.000 35.61771  ? 321 HOH   A O   1 
HETATM 1291 O O   . HOH   J 6 .   ? 32.28576 -1.14587  22.16592 1.000 59.36875  ? 322 HOH   A O   1 
HETATM 1292 O O   . HOH   J 6 .   ? 23.68766 -37.26517 12.82959 1.000 42.52332  ? 323 HOH   A O   1 
HETATM 1293 O O   . HOH   J 6 .   ? 33.69235 -16.96484 27.93745 1.000 45.61559  ? 324 HOH   A O   1 
HETATM 1294 O O   . HOH   J 6 .   ? 53.31794 -32.68563 16.97971 1.000 62.61834  ? 325 HOH   A O   1 
HETATM 1295 O O   . HOH   J 6 .   ? 39.95410 -34.52787 0.27547  1.000 41.94518  ? 326 HOH   A O   1 
HETATM 1296 O O   . HOH   J 6 .   ? 44.03306 -35.85796 4.75632  1.000 53.86513  ? 327 HOH   A O   1 
HETATM 1297 O O   . HOH   J 6 .   ? 25.57427 -3.28309  13.80401 1.000 50.45122  ? 328 HOH   A O   1 
HETATM 1298 O O   . HOH   J 6 .   ? 45.91792 -31.74894 21.91262 1.000 38.37573  ? 329 HOH   A O   1 
HETATM 1299 O O   . HOH   J 6 .   ? 19.10714 -15.50223 10.13302 1.000 27.37702  ? 330 HOH   A O   1 
HETATM 1300 O O   . HOH   J 6 .   ? 49.71331 -28.62036 6.98047  1.000 47.29055  ? 331 HOH   A O   1 
HETATM 1301 O O   . HOH   J 6 .   ? 19.45522 -23.57212 -1.70845 1.000 40.35356  ? 332 HOH   A O   1 
HETATM 1302 O O   . HOH   J 6 .   ? 42.42159 -18.90660 14.32365 1.000 51.95676  ? 333 HOH   A O   1 
HETATM 1303 O O   . HOH   J 6 .   ? 20.11559 -22.86010 16.86511 1.000 32.49713  ? 334 HOH   A O   1 
HETATM 1304 O O   . HOH   J 6 .   ? 19.24369 -28.26266 4.94957  1.000 32.25583  ? 335 HOH   A O   1 
HETATM 1305 O O   . HOH   J 6 .   ? 38.85650 -30.03715 14.41813 1.000 26.63148  ? 336 HOH   A O   1 
HETATM 1306 O O   . HOH   J 6 .   ? 34.78393 -10.53503 22.40310 1.000 43.84513  ? 337 HOH   A O   1 
HETATM 1307 O O   . HOH   J 6 .   ? 37.29678 -31.97533 13.62265 1.000 26.84689  ? 338 HOH   A O   1 
HETATM 1308 O O   . HOH   J 6 .   ? 38.49695 -27.91677 25.45236 1.000 29.77671  ? 339 HOH   A O   1 
HETATM 1309 O O   . HOH   J 6 .   ? 34.98505 -23.44652 30.21546 1.000 25.84097  ? 340 HOH   A O   1 
HETATM 1310 O O   . HOH   J 6 .   ? 44.52477 -32.51157 10.24712 1.000 37.95044  ? 341 HOH   A O   1 
HETATM 1311 O O   . HOH   J 6 .   ? 48.47076 -23.03573 5.20231  1.000 45.78668  ? 342 HOH   A O   1 
HETATM 1312 O O   . HOH   J 6 .   ? 16.62379 -13.96704 9.57192  1.000 43.65677  ? 343 HOH   A O   1 
HETATM 1313 O O   . HOH   J 6 .   ? 17.23106 -29.10975 14.53000 1.000 25.34980  ? 344 HOH   A O   1 
HETATM 1314 O O   . HOH   J 6 .   ? 25.96258 -28.42441 6.46116  1.000 32.24525  ? 345 HOH   A O   1 
HETATM 1315 O O   . HOH   J 6 .   ? 21.60320 -29.51006 19.74989 1.000 26.60856  ? 346 HOH   A O   1 
HETATM 1316 O O   . HOH   J 6 .   ? 22.03080 -8.26400  9.69009  1.000 56.94423  ? 347 HOH   A O   1 
HETATM 1317 O O   . HOH   J 6 .   ? 28.46977 -17.14635 23.27755 1.000 26.08499  ? 348 HOH   A O   1 
HETATM 1318 O O   . HOH   J 6 .   ? 33.59170 -31.92818 1.39921  1.000 36.01730  ? 349 HOH   A O   1 
HETATM 1319 O O   . HOH   J 6 .   ? 41.47551 -33.14737 20.39086 1.000 43.22576  ? 350 HOH   A O   1 
HETATM 1320 O O   . HOH   J 6 .   ? 17.63553 -35.89270 19.97750 1.000 40.07260  ? 351 HOH   A O   1 
HETATM 1321 O O   . HOH   J 6 .   ? 49.78095 -34.04682 11.64261 1.000 54.56617  ? 352 HOH   A O   1 
HETATM 1322 O O   . HOH   J 6 .   ? 25.29227 -9.34776  7.89470  1.000 30.95793  ? 353 HOH   A O   1 
HETATM 1323 O O   . HOH   J 6 .   ? 44.52979 -24.02466 24.36529 1.000 54.66276  ? 354 HOH   A O   1 
HETATM 1324 O O   . HOH   J 6 .   ? 12.52821 -38.93110 -2.66198 1.000 44.43830  ? 355 HOH   A O   1 
HETATM 1325 O O   . HOH   J 6 .   ? 49.88627 -26.58523 5.06047  1.000 46.77595  ? 356 HOH   A O   1 
HETATM 1326 O O   . HOH   J 6 .   ? 35.29520 -35.59584 15.33377 1.000 33.57143  ? 357 HOH   A O   1 
HETATM 1327 O O   . HOH   J 6 .   ? 35.35441 -6.35763  10.16989 1.000 41.62452  ? 358 HOH   A O   1 
HETATM 1328 O O   . HOH   J 6 .   ? 18.90588 -11.89317 8.86325  1.000 40.78863  ? 359 HOH   A O   1 
HETATM 1329 O O   . HOH   J 6 .   ? 43.72548 -34.10723 17.88999 1.000 44.05335  ? 360 HOH   A O   1 
HETATM 1330 O O   . HOH   J 6 .   ? 57.14272 -28.04099 18.88875 1.000 50.44299  ? 361 HOH   A O   1 
HETATM 1331 O O   . HOH   J 6 .   ? 44.93049 -35.62355 7.41902  1.000 51.96348  ? 362 HOH   A O   1 
HETATM 1332 O O   . HOH   J 6 .   ? 48.13251 -32.26520 3.85175  1.000 54.06091  ? 363 HOH   A O   1 
HETATM 1333 O O   . HOH   J 6 .   ? 15.39177 -24.44495 -5.49413 1.000 61.88288  ? 364 HOH   A O   1 
HETATM 1334 O O   . HOH   J 6 .   ? 22.91442 -25.14212 4.32288  1.000 30.76602  ? 365 HOH   A O   1 
HETATM 1335 O O   . HOH   J 6 .   ? 35.92468 -16.58860 25.62311 1.000 41.76436  ? 366 HOH   A O   1 
HETATM 1336 O O   . HOH   J 6 .   ? 27.89972 -37.38183 8.98342  1.000 51.95425  ? 367 HOH   A O   1 
HETATM 1337 O O   . HOH   J 6 .   ? 13.30384 -16.45236 -2.72345 1.000 45.34396  ? 368 HOH   A O   1 
HETATM 1338 O O   . HOH   J 6 .   ? 29.13542 -14.54456 5.49634  1.000 29.50253  ? 369 HOH   A O   1 
HETATM 1339 O O   . HOH   J 6 .   ? 42.58824 -30.97189 14.44874 1.000 30.06045  ? 370 HOH   A O   1 
HETATM 1340 O O   . HOH   J 6 .   ? 14.35384 -27.14097 9.51407  1.000 28.08300  ? 371 HOH   A O   1 
HETATM 1341 O O   . HOH   J 6 .   ? 30.93667 -32.87324 26.45975 1.000 48.31910  ? 372 HOH   A O   1 
HETATM 1342 O O   . HOH   J 6 .   ? 17.97259 -27.61725 -3.13339 1.000 45.69365  ? 373 HOH   A O   1 
HETATM 1343 O O   . HOH   J 6 .   ? 17.06847 -27.12242 10.43860 1.000 30.09791  ? 374 HOH   A O   1 
HETATM 1344 O O   . HOH   J 6 .   ? 38.36265 -22.08708 4.71073  1.000 33.97628  ? 375 HOH   A O   1 
HETATM 1345 O O   . HOH   J 6 .   ? 36.41279 -35.61780 6.86410  1.000 34.71736  ? 376 HOH   A O   1 
HETATM 1346 O O   . HOH   J 6 .   ? 43.15656 -28.23223 1.53200  1.000 46.85755  ? 377 HOH   A O   1 
HETATM 1347 O O   . HOH   J 6 .   ? 43.37728 -19.42502 3.99215  1.000 44.14488  ? 378 HOH   A O   1 
HETATM 1348 O O   . HOH   J 6 .   ? 41.53154 -36.00186 7.24427  1.000 52.13012  ? 379 HOH   A O   1 
HETATM 1349 O O   . HOH   J 6 .   ? 39.72967 -6.53069  15.94752 1.000 61.77750  ? 380 HOH   A O   1 
HETATM 1350 O O   . HOH   J 6 .   ? 47.93945 -35.69693 10.46181 1.000 62.12641  ? 381 HOH   A O   1 
HETATM 1351 O O   . HOH   J 6 .   ? 20.08773 -10.52889 12.73573 1.000 39.63193  ? 382 HOH   A O   1 
HETATM 1352 O O   . HOH   J 6 .   ? 25.06939 -30.79064 7.72515  1.000 28.98166  ? 383 HOH   A O   1 
HETATM 1353 O O   . HOH   J 6 .   ? 31.77438 -34.76757 11.86625 1.000 26.01389  ? 384 HOH   A O   1 
HETATM 1354 O O   . HOH   J 6 .   ? 5.70104  -28.61654 4.44177  1.000 45.76651  ? 385 HOH   A O   1 
HETATM 1355 O O   . HOH   J 6 .   ? 28.15081 -17.84887 28.42215 1.000 46.87875  ? 386 HOH   A O   1 
HETATM 1356 O O   . HOH   J 6 .   ? 38.67200 -14.51170 6.13990  1.000 34.96818  ? 387 HOH   A O   1 
HETATM 1357 O O   . HOH   J 6 .   ? 32.32519 -6.76151  24.72015 1.000 77.90998  ? 388 HOH   A O   1 
HETATM 1358 O O   . HOH   J 6 .   ? 40.19083 -25.41483 -1.98478 1.000 53.35579  ? 389 HOH   A O   1 
HETATM 1359 O O   . HOH   J 6 .   ? 35.74986 -26.50254 27.32310 1.000 32.21046  ? 390 HOH   A O   1 
HETATM 1360 O O   . HOH   J 6 .   ? 17.55845 -31.72351 4.59755  1.000 40.07703  ? 391 HOH   A O   1 
HETATM 1361 O O   . HOH   J 6 .   ? 21.08919 -17.89487 23.58257 1.000 42.28551  ? 392 HOH   A O   1 
HETATM 1362 O O   . HOH   J 6 .   ? 23.15194 -27.34390 20.42505 1.000 31.25844  ? 393 HOH   A O   1 
HETATM 1363 O O   . HOH   J 6 .   ? 44.33258 -23.55521 19.11787 1.000 34.10789  ? 394 HOH   A O   1 
HETATM 1364 O O   . HOH   J 6 .   ? 23.72089 -30.23284 -8.17987 1.000 66.11778  ? 395 HOH   A O   1 
HETATM 1365 O O   . HOH   J 6 .   ? 41.37630 -24.67264 23.40309 1.000 39.14547  ? 396 HOH   A O   1 
HETATM 1366 O O   . HOH   J 6 .   ? 51.72474 -26.08910 10.87082 1.000 44.64794  ? 397 HOH   A O   1 
HETATM 1367 O O   . HOH   J 6 .   ? 38.92722 -36.17782 16.05883 1.000 54.70002  ? 398 HOH   A O   1 
HETATM 1368 O O   . HOH   J 6 .   ? 6.22562  -27.27954 -0.02477 1.000 49.39144  ? 399 HOH   A O   1 
HETATM 1369 O O   . HOH   J 6 .   ? 38.46052 -36.37537 8.09446  1.000 47.89134  ? 400 HOH   A O   1 
HETATM 1370 O O   . HOH   J 6 .   ? 43.71443 -20.73233 0.32141  1.000 48.53995  ? 401 HOH   A O   1 
HETATM 1371 O O   . HOH   J 6 .   ? 40.97159 -27.07045 24.69490 1.000 34.85068  ? 402 HOH   A O   1 
HETATM 1372 O O   . HOH   J 6 .   ? 11.06337 -33.12830 3.32617  1.000 44.12427  ? 403 HOH   A O   1 
HETATM 1373 O O   . HOH   J 6 .   ? 12.49477 -18.80355 11.81847 1.000 84.48413  ? 404 HOH   A O   1 
HETATM 1374 O O   . HOH   J 6 .   ? 18.51218 -30.46296 -1.81219 1.000 44.82086  ? 405 HOH   A O   1 
HETATM 1375 O O   . HOH   J 6 .   ? 27.95396 -37.04216 12.28885 1.000 48.10158  ? 406 HOH   A O   1 
HETATM 1376 O O   . HOH   J 6 .   ? 27.72004 -21.63896 25.58712 1.000 38.08538  ? 407 HOH   A O   1 
HETATM 1377 O O   . HOH   J 6 .   ? 6.85255  -35.65944 -1.79272 1.000 64.67700  ? 408 HOH   A O   1 
HETATM 1378 O O   . HOH   J 6 .   ? 17.60505 -21.94294 -5.52933 1.000 63.25108  ? 409 HOH   A O   1 
HETATM 1379 O O   . HOH   J 6 .   ? 38.91940 -3.15346  18.31576 1.000 72.85609  ? 410 HOH   A O   1 
HETATM 1380 O O   . HOH   J 6 .   ? 38.04679 -17.44440 3.14537  1.000 41.00304  ? 411 HOH   A O   1 
HETATM 1381 O O   . HOH   J 6 .   ? 14.81590 -38.14730 -5.13388 1.000 49.23991  ? 412 HOH   A O   1 
HETATM 1382 O O   . HOH   J 6 .   ? 29.96192 -35.70684 13.86315 1.000 34.48145  ? 413 HOH   A O   1 
HETATM 1383 O O   . HOH   J 6 .   ? 42.88355 -33.26815 15.50511 1.000 32.82070  ? 414 HOH   A O   1 
HETATM 1384 O O   . HOH   J 6 .   ? 14.46822 -31.13856 -7.24642 1.000 100.65827 ? 415 HOH   A O   1 
HETATM 1385 O O   . HOH   J 6 .   ? 20.76924 -10.07642 0.97078  1.000 53.99445  ? 416 HOH   A O   1 
HETATM 1386 O O   . HOH   J 6 .   ? 39.60784 -36.16170 20.26654 1.000 47.86622  ? 417 HOH   A O   1 
HETATM 1387 O O   . HOH   J 6 .   ? 33.75121 -26.00732 29.70667 1.000 34.45568  ? 418 HOH   A O   1 
HETATM 1388 O O   . HOH   J 6 .   ? 8.29923  -29.34442 -6.72731 1.000 74.13902  ? 419 HOH   A O   1 
HETATM 1389 O O   . HOH   J 6 .   ? 5.67013  -13.45471 10.20577 1.000 66.11373  ? 420 HOH   A O   1 
HETATM 1390 O O   . HOH   J 6 .   ? 6.37495  -21.80298 6.04536  1.000 59.27299  ? 421 HOH   A O   1 
HETATM 1391 O O   . HOH   J 6 .   ? 41.47718 -21.13500 3.38254  1.000 47.17771  ? 422 HOH   A O   1 
HETATM 1392 O O   . HOH   J 6 .   ? 35.54135 -35.45596 2.35918  1.000 60.88619  ? 423 HOH   A O   1 
HETATM 1393 O O   . HOH   J 6 .   ? 45.18350 -28.81213 25.63832 1.000 43.30368  ? 424 HOH   A O   1 
HETATM 1394 O O   . HOH   J 6 .   ? 35.51272 -27.62099 -0.24365 1.000 43.02058  ? 425 HOH   A O   1 
HETATM 1395 O O   . HOH   J 6 .   ? 6.18122  -20.97905 9.02489  1.000 54.40416  ? 426 HOH   A O   1 
HETATM 1396 O O   . HOH   J 6 .   ? 32.05570 -36.44315 9.84375  1.000 34.87102  ? 427 HOH   A O   1 
HETATM 1397 O O   . HOH   J 6 .   ? 32.91229 -15.52579 29.52666 1.000 65.18441  ? 428 HOH   A O   1 
HETATM 1398 O O   . HOH   J 6 .   ? 39.01897 -5.49970  17.77696 1.000 66.27483  ? 429 HOH   A O   1 
HETATM 1399 O O   . HOH   J 6 .   ? 27.47456 -17.97576 25.73852 1.000 34.79530  ? 430 HOH   A O   1 
HETATM 1400 O O   . HOH   J 6 .   ? 47.51428 -22.37510 17.40070 1.000 55.89127  ? 431 HOH   A O   1 
HETATM 1401 O O   . HOH   J 6 .   ? 25.74607 -8.88654  5.25082  1.000 37.09699  ? 432 HOH   A O   1 
HETATM 1402 O O   . HOH   J 6 .   ? 27.50247 -20.39995 29.78033 1.000 43.38596  ? 433 HOH   A O   1 
HETATM 1403 O O   . HOH   J 6 .   ? 38.65746 -37.28007 18.23001 1.000 54.67615  ? 434 HOH   A O   1 
HETATM 1404 O O   . HOH   J 6 .   ? 51.85664 -20.58731 9.91480  1.000 58.74452  ? 435 HOH   A O   1 
HETATM 1405 O O   . HOH   J 6 .   ? 51.39823 -22.84025 11.53834 1.000 51.25663  ? 436 HOH   A O   1 
HETATM 1406 O O   . HOH   J 6 .   ? 13.12367 -27.34177 14.14972 1.000 48.81059  ? 437 HOH   A O   1 
HETATM 1407 O O   . HOH   J 6 .   ? 30.42706 -6.07719  25.78701 1.000 56.42647  ? 438 HOH   A O   1 
HETATM 1408 O O   . HOH   J 6 .   ? 7.75202  -21.70865 11.04461 1.000 50.20196  ? 439 HOH   A O   1 
HETATM 1409 O O   . HOH   J 6 .   ? 18.04453 -17.96531 22.41010 1.000 48.30514  ? 440 HOH   A O   1 
HETATM 1410 O O   . HOH   J 6 .   ? 14.02530 -29.52251 10.89776 1.000 34.54999  ? 441 HOH   A O   1 
HETATM 1411 O O   . HOH   J 6 .   ? 45.29902 -22.83377 21.68136 1.000 52.25018  ? 442 HOH   A O   1 
HETATM 1412 O O   . HOH   J 6 .   ? 33.47077 -36.41934 13.44713 1.000 36.00833  ? 443 HOH   A O   1 
HETATM 1413 O O   . HOH   J 6 .   ? 34.17865 -36.79910 8.13600  1.000 36.80281  ? 444 HOH   A O   1 
HETATM 1414 O O   . HOH   J 6 .   ? 19.60120 -40.85595 15.02912 1.000 45.64373  ? 445 HOH   A O   1 
HETATM 1415 O O   . HOH   J 6 .   ? 22.28749 -9.02421  7.62075  1.000 42.52253  ? 446 HOH   A O   1 
HETATM 1416 O O   . HOH   J 6 .   ? 52.02074 -34.61317 10.77756 1.000 57.39816  ? 447 HOH   A O   1 
HETATM 1417 O O   . HOH   J 6 .   ? 35.93641 -36.77039 4.68073  1.000 46.02602  ? 448 HOH   A O   1 
HETATM 1418 O O   . HOH   J 6 .   ? 30.22599 -9.72378  0.47385  1.000 46.63050  ? 449 HOH   A O   1 
HETATM 1419 O O   . HOH   J 6 .   ? 14.23035 -7.28088  8.61095  1.000 67.15498  ? 450 HOH   A O   1 
HETATM 1420 O O   . HOH   J 6 .   ? 4.90497  -25.25833 0.62915  1.000 66.38199  ? 451 HOH   A O   1 
HETATM 1421 O O   . HOH   J 6 .   ? 22.04858 -25.07472 17.33532 1.000 29.96331  ? 452 HOH   A O   1 
HETATM 1422 O O   . HOH   J 6 .   ? 29.38227 -12.48963 0.37103  1.000 46.63299  ? 453 HOH   A O   1 
HETATM 1423 O O   . HOH   J 6 .   ? 4.45235  -31.85122 0.78593  1.000 47.38085  ? 454 HOH   A O   1 
HETATM 1424 O O   . HOH   K 6 .   ? 40.29373 -17.69461 13.54651 1.000 63.12066  ? 101 HOH   B O   1 
HETATM 1425 O O   . HOH   K 6 .   ? 39.72148 -7.87267  9.98475  1.000 50.68493  ? 102 HOH   B O   1 
HETATM 1426 O O   . HOH   K 6 .   ? 41.87121 -15.22628 12.46625 1.000 62.79434  ? 103 HOH   B O   1 
# 
loop_
_atom_site_anisotrop.id 
_atom_site_anisotrop.type_symbol 
_atom_site_anisotrop.pdbx_label_atom_id 
_atom_site_anisotrop.pdbx_label_alt_id 
_atom_site_anisotrop.pdbx_label_comp_id 
_atom_site_anisotrop.pdbx_label_asym_id 
_atom_site_anisotrop.pdbx_label_seq_id 
_atom_site_anisotrop.pdbx_PDB_ins_code 
_atom_site_anisotrop.U[1][1] 
_atom_site_anisotrop.U[2][2] 
_atom_site_anisotrop.U[3][3] 
_atom_site_anisotrop.U[1][2] 
_atom_site_anisotrop.U[1][3] 
_atom_site_anisotrop.U[2][3] 
_atom_site_anisotrop.pdbx_auth_seq_id 
_atom_site_anisotrop.pdbx_auth_comp_id 
_atom_site_anisotrop.pdbx_auth_asym_id 
_atom_site_anisotrop.pdbx_auth_atom_id 
1    N N   . LEU   A 10  ? 0.75204 0.75788 0.75131 0.07465  -0.05335 0.08900  7   LEU   A N   
2    C CA  . LEU   A 10  ? 0.77396 0.77915 0.77428 0.05711  -0.04436 0.07897  7   LEU   A CA  
3    C C   . LEU   A 10  ? 0.75984 0.72423 0.73992 0.05450  -0.03749 0.07481  7   LEU   A C   
4    O O   . LEU   A 10  ? 0.85980 0.79251 0.81888 0.05455  -0.04133 0.08080  7   LEU   A O   
5    C CB  . LEU   A 10  ? 0.80092 0.81761 0.79743 0.03727  -0.04852 0.07797  7   LEU   A CB  
6    C CG  . LEU   A 10  ? 0.77240 0.82969 0.79121 0.03299  -0.05466 0.07713  7   LEU   A CG  
7    C CD1 . LEU   A 10  ? 0.63114 0.69230 0.63875 0.01698  -0.06122 0.07538  7   LEU   A CD1 
8    C CD2 . LEU   A 10  ? 0.67983 0.75618 0.72056 0.02886  -0.04667 0.06984  7   LEU   A CD2 
9    N N   . PRO   A 11  ? 0.80589 0.77166 0.79227 0.05098  -0.02815 0.06534  8   PRO   A N   
10   C CA  . PRO   A 11  ? 0.80844 0.73831 0.77713 0.04742  -0.02264 0.05977  8   PRO   A CA  
11   C C   . PRO   A 11  ? 0.84135 0.75088 0.79178 0.02868  -0.02446 0.06220  8   PRO   A C   
12   O O   . PRO   A 11  ? 0.78970 0.71535 0.74056 0.01847  -0.02826 0.06613  8   PRO   A O   
13   C CB  . PRO   A 11  ? 0.78469 0.73180 0.76623 0.04359  -0.01344 0.04999  8   PRO   A CB  
14   C CG  . PRO   A 11  ? 0.81472 0.80076 0.82055 0.05346  -0.01323 0.05217  8   PRO   A CG  
15   C CD  . PRO   A 11  ? 0.78835 0.78959 0.79879 0.05050  -0.02294 0.06039  8   PRO   A CD  
16   N N   . PRO   A 12  ? 0.81428 0.69007 0.74825 0.02343  -0.02203 0.05976  9   PRO   A N   
17   C CA  . PRO   A 12  ? 0.80532 0.66412 0.72275 0.00547  -0.02351 0.06469  9   PRO   A CA  
18   C C   . PRO   A 12  ? 0.69686 0.58139 0.62082 -0.01123 -0.01921 0.05989  9   PRO   A C   
19   O O   . PRO   A 12  ? 0.63047 0.52383 0.56286 -0.01582 -0.01306 0.05034  9   PRO   A O   
20   C CB  . PRO   A 12  ? 0.81208 0.63351 0.71588 0.00267  -0.02170 0.06092  9   PRO   A CB  
21   C CG  . PRO   A 12  ? 0.83163 0.64073 0.73768 0.02452  -0.02256 0.05687  9   PRO   A CG  
22   C CD  . PRO   A 12  ? 0.80395 0.65449 0.73216 0.03445  -0.01904 0.05309  9   PRO   A CD  
23   N N   . GLY   A 13  ? 0.65618 0.55174 0.57429 -0.01914 -0.02285 0.06650  10  GLY   A N   
24   C CA  . GLY   A 13  ? 0.55360 0.46981 0.47351 -0.03329 -0.01949 0.06164  10  GLY   A CA  
25   C C   . GLY   A 13  ? 0.49081 0.43835 0.42542 -0.03098 -0.02200 0.05700  10  GLY   A C   
26   O O   . GLY   A 13  ? 0.40690 0.36924 0.34044 -0.04070 -0.02092 0.05239  10  GLY   A O   
27   N N   . TRP   A 14  ? 0.55038 0.50868 0.49875 -0.01841 -0.02577 0.05797  11  TRP   A N   
28   C CA  . TRP   A 14  ? 0.50293 0.49091 0.46898 -0.01833 -0.02891 0.05364  11  TRP   A CA  
29   C C   . TRP   A 14  ? 0.49842 0.49949 0.45992 -0.01740 -0.03891 0.05962  11  TRP   A C   
30   O O   . TRP   A 14  ? 0.55067 0.54251 0.50275 -0.00911 -0.04421 0.06942  11  TRP   A O   
31   C CB  . TRP   A 14  ? 0.49430 0.49370 0.48052 -0.00666 -0.02721 0.05260  11  TRP   A CB  
32   C CG  . TRP   A 14  ? 0.49918 0.49513 0.49205 -0.00862 -0.01799 0.04512  11  TRP   A CG  
33   C CD1 . TRP   A 14  ? 0.43124 0.40813 0.41861 -0.00134 -0.01232 0.04356  11  TRP   A CD1 
34   C CD2 . TRP   A 14  ? 0.39514 0.40585 0.39969 -0.01789 -0.01447 0.03820  11  TRP   A CD2 
35   N NE1 . TRP   A 14  ? 0.49182 0.47379 0.48625 -0.00565 -0.00527 0.03640  11  TRP   A NE1 
36   C CE2 . TRP   A 14  ? 0.41625 0.41855 0.42184 -0.01563 -0.00633 0.03398  11  TRP   A CE2 
37   C CE3 . TRP   A 14  ? 0.34244 0.37023 0.35528 -0.02743 -0.01840 0.03483  11  TRP   A CE3 
38   C CZ2 . TRP   A 14  ? 0.38687 0.39872 0.40185 -0.02238 -0.00172 0.02858  11  TRP   A CZ2 
39   C CZ3 . TRP   A 14  ? 0.31302 0.34654 0.33542 -0.03410 -0.01406 0.02883  11  TRP   A CZ3 
40   C CH2 . TRP   A 14  ? 0.35819 0.38461 0.38193 -0.03148 -0.00565 0.02675  11  TRP   A CH2 
41   N N   . GLU   A 15  ? 0.39712 0.41807 0.36397 -0.02548 -0.04250 0.05337  12  GLU   A N   
42   C CA  . GLU   A 15  ? 0.42373 0.45995 0.38577 -0.02576 -0.05336 0.05627  12  GLU   A CA  
43   C C   . GLU   A 15  ? 0.39794 0.45857 0.38069 -0.02951 -0.05898 0.04876  12  GLU   A C   
44   O O   . GLU   A 15  ? 0.34830 0.41097 0.34356 -0.03512 -0.05356 0.04095  12  GLU   A O   
45   C CB  . GLU   A 15  ? 0.49964 0.53047 0.43719 -0.03463 -0.05351 0.05531  12  GLU   A CB  
46   C CG  . GLU   A 15  ? 0.53247 0.57218 0.47122 -0.04473 -0.05116 0.04170  12  GLU   A CG  
47   C CD  . GLU   A 15  ? 0.62983 0.66809 0.54397 -0.05122 -0.04910 0.03981  12  GLU   A CD  
48   O OE1 . GLU   A 15  ? 0.54397 0.56960 0.44707 -0.05476 -0.04020 0.04366  12  GLU   A OE1 
49   O OE2 . GLU   A 15  ? 0.68358 0.73507 0.58937 -0.05305 -0.05654 0.03412  12  GLU   A OE2 
50   N N   . LYS   A 16  ? 0.39787 0.47652 0.38406 -0.02716 -0.07096 0.05197  13  LYS   A N   
51   C CA  . LYS   A 16  ? 0.41556 0.51728 0.42134 -0.03318 -0.07923 0.04568  13  LYS   A CA  
52   C C   . LYS   A 16  ? 0.47677 0.57838 0.46666 -0.04357 -0.08541 0.03553  13  LYS   A C   
53   O O   . LYS   A 16  ? 0.46786 0.56483 0.43353 -0.04259 -0.08873 0.03747  13  LYS   A O   
54   C CB  . LYS   A 16  ? 0.42562 0.55075 0.44649 -0.02506 -0.09038 0.05418  13  LYS   A CB  
55   C CG  . LYS   A 16  ? 0.50665 0.65845 0.55328 -0.03296 -0.09933 0.04978  13  LYS   A CG  
56   C CD  . LYS   A 16  ? 0.55425 0.73488 0.61982 -0.02404 -0.10968 0.05959  13  LYS   A CD  
57   C CE  . LYS   A 16  ? 0.61936 0.80152 0.66412 -0.01865 -0.12166 0.06444  13  LYS   A CE  
58   N NZ  . LYS   A 16  ? 0.73970 0.95283 0.80405 -0.00879 -0.13326 0.07424  13  LYS   A NZ  
59   N N   . ALA   A 17  ? 0.39924 0.50485 0.40126 -0.05289 -0.08687 0.02483  14  ALA   A N   
60   C CA  . ALA   A 17  ? 0.42516 0.52851 0.41244 -0.06095 -0.09357 0.01228  14  ALA   A CA  
61   C C   . ALA   A 17  ? 0.46400 0.57934 0.47251 -0.06972 -0.10461 0.00521  14  ALA   A C   
62   O O   . ALA   A 17  ? 0.36795 0.49507 0.40359 -0.07089 -0.10454 0.01123  14  ALA   A O   
63   C CB  . ALA   A 17  ? 0.50234 0.58734 0.47541 -0.06364 -0.08196 0.00393  14  ALA   A CB  
64   N N   . MET   A 18  ? 0.47491 0.58745 0.47046 -0.07620 -0.11442 -0.00761 15  MET   A N   
65   C CA  . MET   A 18  ? 0.42548 0.54398 0.43826 -0.08693 -0.12746 -0.01577 15  MET   A CA  
66   C C   . MET   A 18  ? 0.49180 0.58863 0.49847 -0.09252 -0.12404 -0.03003 15  MET   A C   
67   O O   . MET   A 18  ? 0.48999 0.57402 0.47062 -0.08829 -0.11946 -0.03919 15  MET   A O   
68   C CB  . MET   A 18  ? 0.54806 0.67993 0.55089 -0.08949 -0.14601 -0.02040 15  MET   A CB  
69   C CG  . MET   A 18  ? 0.52534 0.65998 0.54339 -0.10307 -0.16232 -0.03084 15  MET   A CG  
70   S SD  . MET   A 18  ? 1.05357 1.16298 1.03922 -0.10617 -0.16924 -0.05485 15  MET   A SD  
71   C CE  . MET   A 18  ? 0.82723 0.94688 0.81930 -0.11923 -0.19687 -0.06519 15  MET   A CE  
72   N N   . SER   A 19  ? 0.46361 0.55759 0.49462 -0.10128 -0.12573 -0.03066 16  SER   A N   
73   C CA  . SER   A 19  ? 0.45901 0.52975 0.48618 -0.10552 -0.12342 -0.04270 16  SER   A CA  
74   C C   . SER   A 19  ? 0.48023 0.53967 0.48853 -0.10933 -0.13821 -0.06064 16  SER   A C   
75   O O   . SER   A 19  ? 0.45897 0.52783 0.47288 -0.11705 -0.15486 -0.06337 16  SER   A O   
76   C CB  . SER   A 19  ? 0.49602 0.56601 0.55327 -0.11519 -0.12338 -0.03663 16  SER   A CB  
77   O OG  . SER   A 19  ? 0.56972 0.61514 0.62333 -0.12131 -0.12822 -0.04930 16  SER   A OG  
78   N N   . ARG   A 20  ? 0.50305 0.54335 0.48913 -0.10335 -0.13254 -0.07364 17  ARG   A N   
79   C CA  . ARG   A 20  ? 0.54025 0.56869 0.50337 -0.10329 -0.14521 -0.09312 17  ARG   A CA  
80   C C   . ARG   A 20  ? 0.58881 0.59986 0.56642 -0.11546 -0.16070 -0.10270 17  ARG   A C   
81   O O   . ARG   A 20  ? 0.58709 0.59636 0.55583 -0.11883 -0.17455 -0.11441 17  ARG   A O   
82   C CB  . ARG   A 20  ? 0.57691 0.59323 0.51420 -0.09153 -0.13340 -0.10415 17  ARG   A CB  
83   C CG  . ARG   A 20  ? 0.70450 0.71444 0.61128 -0.08661 -0.14344 -0.12422 17  ARG   A CG  
84   C CD  . ARG   A 20  ? 0.71017 0.73087 0.58915 -0.07399 -0.12973 -0.12531 17  ARG   A CD  
85   N NE  . ARG   A 20  ? 0.61995 0.66211 0.49959 -0.07351 -0.12261 -0.10608 17  ARG   A NE  
86   C CZ  . ARG   A 20  ? 0.63454 0.68735 0.49634 -0.06601 -0.10882 -0.09976 17  ARG   A CZ  
87   N NH1 . ARG   A 20  ? 0.65203 0.70251 0.49470 -0.05800 -0.09977 -0.11100 17  ARG   A NH1 
88   N NH2 . ARG   A 20  ? 0.60212 0.66847 0.46617 -0.06648 -0.10408 -0.08114 17  ARG   A NH2 
89   N N   . SER   A 21  ? 0.55262 0.55210 0.55298 -0.12106 -0.15538 -0.09630 18  SER   A N   
90   C CA  . SER   A 21  ? 0.59982 0.58164 0.61300 -0.12963 -0.16239 -0.10223 18  SER   A CA  
91   C C   . SER   A 21  ? 0.59143 0.59225 0.63308 -0.14235 -0.16940 -0.09003 18  SER   A C   
92   O O   . SER   A 21  ? 0.59805 0.59161 0.64262 -0.15013 -0.17986 -0.09740 18  SER   A O   
93   C CB  . SER   A 21  ? 0.62704 0.58694 0.64874 -0.12853 -0.15255 -0.09981 18  SER   A CB  
94   O OG  . SER   A 21  ? 0.65441 0.62863 0.69447 -0.12982 -0.14198 -0.08202 18  SER   A OG  
95   N N   . SER   A 22  ? 0.58730 0.61344 0.64974 -0.14433 -0.16375 -0.07159 19  SER   A N   
96   C CA  . SER   A 22  ? 0.51286 0.56185 0.60492 -0.15448 -0.16795 -0.05864 19  SER   A CA  
97   C C   . SER   A 22  ? 0.48496 0.56525 0.57932 -0.15295 -0.17603 -0.05350 19  SER   A C   
98   O O   . SER   A 22  ? 0.46629 0.56593 0.58167 -0.16095 -0.18337 -0.04769 19  SER   A O   
99   C CB  . SER   A 22  ? 0.49257 0.55181 0.60981 -0.15649 -0.15461 -0.04017 19  SER   A CB  
100  O OG  . SER   A 22  ? 0.51504 0.59718 0.63435 -0.14903 -0.14764 -0.02897 19  SER   A OG  
101  N N   . GLY   A 23  ? 0.46195 0.54838 0.53474 -0.14302 -0.17521 -0.05450 20  GLY   A N   
102  C CA  . GLY   A 23  ? 0.44814 0.56404 0.52199 -0.13995 -0.18279 -0.04690 20  GLY   A CA  
103  C C   . GLY   A 23  ? 0.46188 0.60671 0.56241 -0.13821 -0.17557 -0.02597 20  GLY   A C   
104  O O   . GLY   A 23  ? 0.42982 0.60094 0.53421 -0.13306 -0.18099 -0.01784 20  GLY   A O   
105  N N   . ARG   A 24  ? 0.39406 0.53435 0.51128 -0.13859 -0.16107 -0.01761 21  ARG   A N   
106  C CA  . ARG   A 24  ? 0.35801 0.52324 0.49722 -0.13177 -0.14905 0.00011  21  ARG   A CA  
107  C C   . ARG   A 24  ? 0.27842 0.43729 0.39569 -0.11355 -0.13422 0.00324  21  ARG   A C   
108  O O   . ARG   A 24  ? 0.31291 0.44620 0.40570 -0.10885 -0.12640 -0.00531 21  ARG   A O   
109  C CB  . ARG   A 24  ? 0.40758 0.56965 0.56960 -0.13945 -0.13947 0.00715  21  ARG   A CB  
110  C CG  . ARG   A 24  ? 0.50981 0.70638 0.70247 -0.13709 -0.13168 0.02505  21  ARG   A CG  
111  C CD  . ARG   A 24  ? 0.45270 0.64929 0.66703 -0.14748 -0.12597 0.03069  21  ARG   A CD  
112  N NE  . ARG   A 24  ? 0.46358 0.63551 0.67087 -0.14740 -0.11376 0.03033  21  ARG   A NE  
113  C CZ  . ARG   A 24  ? 0.40216 0.58346 0.61552 -0.13969 -0.09895 0.04049  21  ARG   A CZ  
114  N NH1 . ARG   A 24  ? 0.38448 0.59308 0.60511 -0.12649 -0.09141 0.04949  21  ARG   A NH1 
115  N NH2 . ARG   A 24  ? 0.39811 0.55663 0.60485 -0.14065 -0.08934 0.03975  21  ARG   A NH2 
116  N N   . VAL   A 25  ? 0.30148 0.48424 0.42851 -0.10340 -0.13113 0.01582  22  VAL   A N   
117  C CA  . VAL   A 25  ? 0.29560 0.47016 0.40484 -0.08706 -0.11787 0.02093  22  VAL   A CA  
118  C C   . VAL   A 25  ? 0.28968 0.44790 0.40009 -0.08427 -0.10038 0.02228  22  VAL   A C   
119  O O   . VAL   A 25  ? 0.28054 0.44726 0.41391 -0.09000 -0.09618 0.02677  22  VAL   A O   
120  C CB  . VAL   A 25  ? 0.36071 0.56323 0.48403 -0.07590 -0.11977 0.03424  22  VAL   A CB  
121  C CG1 . VAL   A 25  ? 0.44453 0.63481 0.55370 -0.05944 -0.10589 0.04068  22  VAL   A CG1 
122  C CG2 . VAL   A 25  ? 0.37060 0.58748 0.48662 -0.07652 -0.13755 0.03302  22  VAL   A CG2 
123  N N   . TYR   A 26  ? 0.27549 0.41186 0.36101 -0.07622 -0.09039 0.01924  23  TYR   A N   
124  C CA  . TYR   A 26  ? 0.23879 0.36204 0.32404 -0.07171 -0.07460 0.02135  23  TYR   A CA  
125  C C   . TYR   A 26  ? 0.25234 0.36389 0.31718 -0.05975 -0.06674 0.02496  23  TYR   A C   
126  O O   . TYR   A 26  ? 0.30896 0.42225 0.36034 -0.05514 -0.07300 0.02728  23  TYR   A O   
127  C CB  . TYR   A 26  ? 0.26497 0.36772 0.34286 -0.07962 -0.07107 0.01114  23  TYR   A CB  
128  C CG  . TYR   A 26  ? 0.28941 0.37389 0.33887 -0.07839 -0.07099 0.00104  23  TYR   A CG  
129  C CD1 . TYR   A 26  ? 0.37349 0.45842 0.41089 -0.08242 -0.08329 -0.00740 23  TYR   A CD1 
130  C CD2 . TYR   A 26  ? 0.32014 0.38946 0.35496 -0.07353 -0.05873 -0.00036 23  TYR   A CD2 
131  C CE1 . TYR   A 26  ? 0.39236 0.46504 0.40322 -0.08007 -0.08172 -0.01644 23  TYR   A CE1 
132  C CE2 . TYR   A 26  ? 0.32862 0.38733 0.34003 -0.07279 -0.05750 -0.00829 23  TYR   A CE2 
133  C CZ  . TYR   A 26  ? 0.40654 0.46785 0.40573 -0.07540 -0.06832 -0.01620 23  TYR   A CZ  
134  O OH  . TYR   A 26  ? 0.54047 0.59538 0.51540 -0.07337 -0.06577 -0.02400 23  TYR   A OH  
135  N N   . TYR   A 27  ? 0.23905 0.33756 0.30089 -0.05548 -0.05381 0.02603  24  TYR   A N   
136  C CA  . TYR   A 27  ? 0.27679 0.36087 0.32110 -0.04599 -0.04682 0.02991  24  TYR   A CA  
137  C C   . TYR   A 27  ? 0.25196 0.31517 0.27969 -0.04990 -0.03842 0.02331  24  TYR   A C   
138  O O   . TYR   A 27  ? 0.23490 0.29498 0.26981 -0.05440 -0.03327 0.01861  24  TYR   A O   
139  C CB  . TYR   A 27  ? 0.26206 0.35179 0.31854 -0.03482 -0.04033 0.03779  24  TYR   A CB  
140  C CG  . TYR   A 27  ? 0.33795 0.45379 0.41301 -0.02921 -0.04821 0.04503  24  TYR   A CG  
141  C CD1 . TYR   A 27  ? 0.38115 0.49852 0.44815 -0.01929 -0.05443 0.05133  24  TYR   A CD1 
142  C CD2 . TYR   A 27  ? 0.35199 0.49266 0.45350 -0.03459 -0.05021 0.04677  24  TYR   A CD2 
143  C CE1 . TYR   A 27  ? 0.46177 0.60677 0.54729 -0.01299 -0.06257 0.05818  24  TYR   A CE1 
144  C CE2 . TYR   A 27  ? 0.39264 0.56305 0.51429 -0.03049 -0.05798 0.05403  24  TYR   A CE2 
145  C CZ  . TYR   A 27  ? 0.45862 0.63214 0.57258 -0.01874 -0.06416 0.05923  24  TYR   A CZ  
146  O OH  . TYR   A 27  ? 0.48931 0.69572 0.62461 -0.01312 -0.07258 0.06677  24  TYR   A OH  
147  N N   . PHE   A 28  ? 0.30399 0.35467 0.31007 -0.04832 -0.03729 0.02435  25  PHE   A N   
148  C CA  . PHE   A 28  ? 0.31553 0.35184 0.30631 -0.05288 -0.03000 0.01916  25  PHE   A CA  
149  C C   . PHE   A 28  ? 0.32165 0.34253 0.29958 -0.04866 -0.02446 0.02631  25  PHE   A C   
150  O O   . PHE   A 28  ? 0.34023 0.35851 0.31070 -0.04346 -0.02885 0.03441  25  PHE   A O   
151  C CB  . PHE   A 28  ? 0.33411 0.37327 0.30948 -0.05832 -0.03474 0.01281  25  PHE   A CB  
152  C CG  . PHE   A 28  ? 0.35807 0.38887 0.31834 -0.06195 -0.02669 0.00891  25  PHE   A CG  
153  C CD1 . PHE   A 28  ? 0.34977 0.37777 0.31682 -0.06459 -0.02063 0.00133  25  PHE   A CD1 
154  C CD2 . PHE   A 28  ? 0.37349 0.40151 0.31378 -0.06288 -0.02522 0.01419  25  PHE   A CD2 
155  C CE1 . PHE   A 28  ? 0.31719 0.34271 0.27325 -0.06741 -0.01342 -0.00193 25  PHE   A CE1 
156  C CE2 . PHE   A 28  ? 0.38317 0.40917 0.31235 -0.06747 -0.01721 0.01181  25  PHE   A CE2 
157  C CZ  . PHE   A 28  ? 0.34039 0.36657 0.27858 -0.06937 -0.01136 0.00323  25  PHE   A CZ  
158  N N   . ASN   A 29  ? 0.30247 0.31183 0.27755 -0.05114 -0.01604 0.02363  26  ASN   A N   
159  C CA  . ASN   A 29  ? 0.32661 0.31752 0.28900 -0.05009 -0.01186 0.02925  26  ASN   A CA  
160  C C   . ASN   A 29  ? 0.29801 0.28574 0.24600 -0.05965 -0.00815 0.02743  26  ASN   A C   
161  O O   . ASN   A 29  ? 0.30202 0.29437 0.25385 -0.06442 -0.00347 0.01996  26  ASN   A O   
162  C CB  . ASN   A 29  ? 0.33783 0.31935 0.30783 -0.04578 -0.00620 0.02758  26  ASN   A CB  
163  C CG  . ASN   A 29  ? 0.37910 0.33690 0.33572 -0.04394 -0.00462 0.03259  26  ASN   A CG  
164  O OD1 . ASN   A 29  ? 0.36248 0.31031 0.30640 -0.05281 -0.00297 0.03405  26  ASN   A OD1 
165  N ND2 . ASN   A 29  ? 0.40399 0.35286 0.36342 -0.03234 -0.00553 0.03548  26  ASN   A ND2 
166  N N   . HIS   A 30  ? 0.30764 0.28978 0.23937 -0.06209 -0.01012 0.03529  27  HIS   A N   
167  C CA  . HIS   A 30  ? 0.31775 0.30420 0.23696 -0.07155 -0.00571 0.03477  27  HIS   A CA  
168  C C   . HIS   A 30  ? 0.34016 0.31433 0.25762 -0.07848 0.00084  0.03611  27  HIS   A C   
169  O O   . HIS   A 30  ? 0.37523 0.35862 0.28735 -0.08694 0.00577  0.03488  27  HIS   A O   
170  C CB  . HIS   A 30  ? 0.33502 0.32254 0.23610 -0.07322 -0.00942 0.04461  27  HIS   A CB  
171  C CG  . HIS   A 30  ? 0.40170 0.36678 0.29312 -0.07308 -0.01094 0.05810  27  HIS   A CG  
172  N ND1 . HIS   A 30  ? 0.45919 0.41198 0.34024 -0.08326 -0.00616 0.06526  27  HIS   A ND1 
173  C CD2 . HIS   A 30  ? 0.46407 0.41587 0.35455 -0.06382 -0.01756 0.06611  27  HIS   A CD2 
174  C CE1 . HIS   A 30  ? 0.44124 0.36925 0.31415 -0.08088 -0.01034 0.07686  27  HIS   A CE1 
175  N NE2 . HIS   A 30  ? 0.49229 0.41929 0.37029 -0.06763 -0.01708 0.07729  27  HIS   A NE2 
176  N N   . ILE   A 31  ? 0.30723 0.26264 0.22895 -0.07477 0.00060  0.03802  28  ILE   A N   
177  C CA  . ILE   A 31  ? 0.33061 0.27228 0.25013 -0.08214 0.00472  0.03786  28  ILE   A CA  
178  C C   . ILE   A 31  ? 0.37824 0.33048 0.31062 -0.08240 0.00892  0.02679  28  ILE   A C   
179  O O   . ILE   A 31  ? 0.35937 0.31667 0.29178 -0.09122 0.01283  0.02417  28  ILE   A O   
180  C CB  . ILE   A 31  ? 0.39751 0.31025 0.31200 -0.07684 0.00138  0.04317  28  ILE   A CB  
181  C CG1 . ILE   A 31  ? 0.42643 0.32568 0.32736 -0.07534 -0.00388 0.05590  28  ILE   A CG1 
182  C CG2 . ILE   A 31  ? 0.40231 0.29810 0.31341 -0.08594 0.00364  0.04129  28  ILE   A CG2 
183  C CD1 . ILE   A 31  ? 0.41636 0.28477 0.31236 -0.06575 -0.00842 0.06013  28  ILE   A CD1 
184  N N   . THR   A 32  ? 0.33425 0.29173 0.27831 -0.07306 0.00795  0.02144  29  THR   A N   
185  C CA  . THR   A 32  ? 0.28927 0.25547 0.24461 -0.07231 0.01129  0.01300  29  THR   A CA  
186  C C   . THR   A 32  ? 0.31911 0.30474 0.28169 -0.07277 0.01134  0.00727  29  THR   A C   
187  O O   . THR   A 32  ? 0.29460 0.28687 0.26509 -0.07289 0.01379  0.00113  29  THR   A O   
188  C CB  . THR   A 32  ? 0.29913 0.26034 0.26265 -0.06238 0.01092  0.01197  29  THR   A CB  
189  O OG1 . THR   A 32  ? 0.30241 0.27399 0.27340 -0.05627 0.00732  0.01434  29  THR   A OG1 
190  C CG2 . THR   A 32  ? 0.32823 0.26663 0.28238 -0.05864 0.01002  0.01548  29  THR   A CG2 
191  N N   . ASN   A 33  ? 0.26166 0.25460 0.22038 -0.07221 0.00768  0.00882  30  ASN   A N   
192  C CA  . ASN   A 33  ? 0.27743 0.28418 0.24091 -0.07135 0.00540  0.00182  30  ASN   A CA  
193  C C   . ASN   A 33  ? 0.27323 0.28182 0.25241 -0.06695 0.00308  -0.00134 30  ASN   A C   
194  O O   . ASN   A 33  ? 0.27946 0.29408 0.26455 -0.06721 0.00116  -0.00802 30  ASN   A O   
195  C CB  . ASN   A 33  ? 0.26818 0.28430 0.22848 -0.07527 0.00982  -0.00467 30  ASN   A CB  
196  C CG  . ASN   A 33  ? 0.33664 0.35796 0.28226 -0.08074 0.01241  -0.00026 30  ASN   A CG  
197  O OD1 . ASN   A 33  ? 0.34420 0.36491 0.27972 -0.08058 0.00894  0.00512  30  ASN   A OD1 
198  N ND2 . ASN   A 33  ? 0.30502 0.33398 0.24966 -0.08599 0.01830  -0.00129 30  ASN   A ND2 
199  N N   . ALA   A 34  ? 0.22617 0.22949 0.21167 -0.06260 0.00304  0.00395  31  ALA   A N   
200  C CA  . ALA   A 34  ? 0.24152 0.25139 0.24270 -0.05914 0.00118  0.00423  31  ALA   A CA  
201  C C   . ALA   A 34  ? 0.25039 0.26975 0.25710 -0.05909 -0.00666 0.00551  31  ALA   A C   
202  O O   . ALA   A 34  ? 0.26811 0.28773 0.26636 -0.05789 -0.01063 0.00896  31  ALA   A O   
203  C CB  . ALA   A 34  ? 0.28475 0.29032 0.28973 -0.05254 0.00453  0.00935  31  ALA   A CB  
204  N N   . SER   A 35  ? 0.23714 0.26424 0.25844 -0.06105 -0.00981 0.00372  32  SER   A N   
205  C CA  . SER   A 35  ? 0.22975 0.26747 0.25978 -0.06267 -0.01872 0.00519  32  SER   A CA  
206  C C   . SER   A 35  ? 0.27491 0.32301 0.32624 -0.06384 -0.01909 0.00972  32  SER   A C   
207  O O   . SER   A 35  ? 0.26059 0.30537 0.31764 -0.06562 -0.01433 0.00908  32  SER   A O   
208  C CB  . SER   A 35  ? 0.32156 0.35770 0.34435 -0.06800 -0.02578 -0.00373 32  SER   A CB  
209  O OG  . SER   A 35  ? 0.33770 0.36618 0.36113 -0.07044 -0.02308 -0.01078 32  SER   A OG  
210  N N   . GLN   A 36  ? 0.25396 0.31712 0.31745 -0.06307 -0.02494 0.01548  33  GLN   A N   
211  C CA  . GLN   A 36  ? 0.25797 0.33756 0.34408 -0.06461 -0.02433 0.02244  33  GLN   A CA  
212  C C   . GLN   A 36  ? 0.26456 0.36391 0.36470 -0.06703 -0.03458 0.02673  33  GLN   A C   
213  O O   . GLN   A 36  ? 0.27011 0.37098 0.36117 -0.06285 -0.04009 0.02648  33  GLN   A O   
214  C CB  . GLN   A 36  ? 0.24900 0.33259 0.33715 -0.05452 -0.01371 0.02852  33  GLN   A CB  
215  C CG  . GLN   A 36  ? 0.31543 0.40144 0.39750 -0.04323 -0.01361 0.03214  33  GLN   A CG  
216  C CD  . GLN   A 36  ? 0.40342 0.48792 0.48357 -0.03150 -0.00364 0.03505  33  GLN   A CD  
217  O OE1 . GLN   A 36  ? 0.45098 0.52147 0.52132 -0.03158 0.00323  0.03119  33  GLN   A OE1 
218  N NE2 . GLN   A 36  ? 0.43460 0.53424 0.52355 -0.02026 -0.00344 0.04108  33  GLN   A NE2 
219  N N   . TRP   A 37  ? 0.25460 0.37084 0.37770 -0.07447 -0.03752 0.03206  34  TRP   A N   
220  C CA  . TRP   A 37  ? 0.22022 0.36059 0.36105 -0.07828 -0.04803 0.03710  34  TRP   A CA  
221  C C   . TRP   A 37  ? 0.30532 0.46863 0.45612 -0.06527 -0.04342 0.04656  34  TRP   A C   
222  O O   . TRP   A 37  ? 0.29581 0.47516 0.45189 -0.06210 -0.05208 0.04939  34  TRP   A O   
223  C CB  . TRP   A 37  ? 0.25387 0.40631 0.41841 -0.09303 -0.05329 0.04122  34  TRP   A CB  
224  C CG  . TRP   A 37  ? 0.29911 0.42674 0.45515 -0.10487 -0.06047 0.03144  34  TRP   A CG  
225  C CD1 . TRP   A 37  ? 0.25897 0.36998 0.41498 -0.11029 -0.05574 0.03073  34  TRP   A CD1 
226  C CD2 . TRP   A 37  ? 0.28980 0.40542 0.43432 -0.11082 -0.07422 0.02027  34  TRP   A CD2 
227  N NE1 . TRP   A 37  ? 0.30153 0.38938 0.44775 -0.11826 -0.06578 0.01951  34  TRP   A NE1 
228  C CE2 . TRP   A 37  ? 0.33724 0.42759 0.47544 -0.11862 -0.07694 0.01201  34  TRP   A CE2 
229  C CE3 . TRP   A 37  ? 0.31415 0.43803 0.45161 -0.10919 -0.08492 0.01634  34  TRP   A CE3 
230  C CZ2 . TRP   A 37  ? 0.38550 0.45791 0.51008 -0.12389 -0.08954 -0.00175 34  TRP   A CZ2 
231  C CZ3 . TRP   A 37  ? 0.32736 0.43533 0.45036 -0.11566 -0.09737 0.00330  34  TRP   A CZ3 
232  C CH2 . TRP   A 37  ? 0.40705 0.48911 0.52330 -0.12237 -0.09928 -0.00650 34  TRP   A CH2 
233  N N   . GLU   A 38  ? 0.28659 0.45214 0.43934 -0.05637 -0.03043 0.05102  35  GLU   A N   
234  C CA  . GLU   A 38  ? 0.34203 0.53103 0.50615 -0.04202 -0.02500 0.05919  35  GLU   A CA  
235  C C   . GLU   A 38  ? 0.43035 0.60370 0.57411 -0.02698 -0.02487 0.05670  35  GLU   A C   
236  O O   . GLU   A 38  ? 0.41958 0.56266 0.53942 -0.02643 -0.02232 0.05000  35  GLU   A O   
237  C CB  . GLU   A 38  ? 0.46982 0.66503 0.63927 -0.03695 -0.01108 0.06317  35  GLU   A CB  
238  C CG  . GLU   A 38  ? 0.36726 0.57689 0.55622 -0.05237 -0.01008 0.06889  35  GLU   A CG  
239  C CD  . GLU   A 38  ? 0.43994 0.61904 0.61550 -0.06510 -0.01212 0.06171  35  GLU   A CD  
240  O OE1 . GLU   A 38  ? 0.29323 0.44382 0.44476 -0.06088 -0.01120 0.05226  35  GLU   A OE1 
241  O OE2 . GLU   A 38  ? 0.40592 0.59014 0.59591 -0.07941 -0.01501 0.06621  35  GLU   A OE2 
242  N N   . ARG   A 39  ? 0.44819 0.64281 0.60229 -0.01485 -0.02796 0.06312  36  ARG   A N   
243  C CA  . ARG   A 39  ? 0.50705 0.68408 0.64187 0.00009  -0.02923 0.06269  36  ARG   A CA  
244  C C   . ARG   A 39  ? 0.61985 0.77489 0.73944 0.01222  -0.01696 0.05982  36  ARG   A C   
245  O O   . ARG   A 39  ? 0.64049 0.81191 0.77196 0.02104  -0.00814 0.06227  36  ARG   A O   
246  C CB  . ARG   A 39  ? 0.57326 0.77857 0.72362 0.01285  -0.03595 0.07074  36  ARG   A CB  
247  C CG  . ARG   A 39  ? 0.55693 0.74128 0.68607 0.02497  -0.04195 0.07184  36  ARG   A CG  
248  C CD  . ARG   A 39  ? 0.62995 0.84419 0.77542 0.03867  -0.05042 0.08046  36  ARG   A CD  
249  N NE  . ARG   A 39  ? 0.65923 0.86757 0.79227 0.03556  -0.06431 0.08240  36  ARG   A NE  
250  C CZ  . ARG   A 39  ? 0.70401 0.89093 0.81665 0.04880  -0.06814 0.08630  36  ARG   A CZ  
251  N NH1 . ARG   A 39  ? 0.75008 0.91564 0.85246 0.06628  -0.06026 0.08758  36  ARG   A NH1 
252  N NH2 . ARG   A 39  ? 0.67098 0.85628 0.77171 0.04441  -0.08086 0.08908  36  ARG   A NH2 
253  N N   . PRO   A 40  ? 0.58629 0.70590 0.67954 0.01241  -0.01628 0.05466  37  PRO   A N   
254  C CA  . PRO   A 40  ? 0.69141 0.78756 0.76960 0.02008  -0.00632 0.05023  37  PRO   A CA  
255  C C   . PRO   A 40  ? 0.82208 0.91702 0.89850 0.04190  -0.00369 0.05292  37  PRO   A C   
256  O O   . PRO   A 40  ? 0.80548 0.90325 0.88240 0.05180  -0.01083 0.05812  37  PRO   A O   
257  C CB  . PRO   A 40  ? 0.56387 0.62633 0.61725 0.01138  -0.00872 0.04559  37  PRO   A CB  
258  C CG  . PRO   A 40  ? 0.55955 0.62580 0.61050 0.00889  -0.01939 0.04993  37  PRO   A CG  
259  C CD  . PRO   A 40  ? 0.54336 0.64470 0.61908 0.00469  -0.02477 0.05300  37  PRO   A CD  
260  N N   . SER   A 41  ? 1.07560 1.16559 1.14844 0.05070  0.00619  0.04881  38  SER   A N   
261  C CA  . SER   A 41  ? 1.19171 1.27563 1.25902 0.07383  0.00978  0.04810  38  SER   A CA  
262  C C   . SER   A 41  ? 1.18854 1.26205 1.24580 0.07895  0.02037  0.04038  38  SER   A C   
263  O O   . SER   A 41  ? 1.14134 1.23718 1.21005 0.07180  0.02715  0.04057  38  SER   A O   
264  C CB  . SER   A 41  ? 1.21780 1.34321 1.31025 0.08799  0.00932  0.05562  38  SER   A CB  
265  O OG  . SER   A 41  ? 1.20241 1.31881 1.28755 0.11351  0.01070  0.05459  38  SER   A OG  
266  N N   . GLU   A 54  ? 1.04552 0.65339 0.87146 0.06368  -0.02952 -0.00389 51  GLU   A N   
267  C CA  . GLU   A 54  ? 0.97313 0.59985 0.80410 0.03899  -0.02565 -0.00747 51  GLU   A CA  
268  C C   . GLU   A 54  ? 0.93724 0.53696 0.75242 0.03791  -0.02799 -0.02409 51  GLU   A C   
269  O O   . GLU   A 54  ? 0.96864 0.51746 0.76398 0.03937  -0.03721 -0.02855 51  GLU   A O   
270  C CB  . GLU   A 54  ? 0.94207 0.56220 0.77268 0.01183  -0.02981 0.00603  51  GLU   A CB  
271  C CG  . GLU   A 54  ? 0.85955 0.49690 0.69497 -0.01296 -0.02685 0.00232  51  GLU   A CG  
272  C CD  . GLU   A 54  ? 0.75137 0.38670 0.58684 -0.03828 -0.02965 0.01606  51  GLU   A CD  
273  O OE1 . GLU   A 54  ? 0.72583 0.39044 0.57188 -0.04113 -0.02599 0.02688  51  GLU   A OE1 
274  O OE2 . GLU   A 54  ? 0.76607 0.37161 0.59062 -0.05575 -0.03570 0.01602  51  GLU   A OE2 
275  N N   . PRO   A 55  ? 0.92161 0.55368 0.74435 0.03535  -0.02071 -0.03320 52  PRO   A N   
276  C CA  . PRO   A 55  ? 0.90503 0.51622 0.71160 0.03571  -0.02326 -0.04996 52  PRO   A CA  
277  C C   . PRO   A 55  ? 0.81467 0.39747 0.61189 0.00793  -0.03213 -0.05016 52  PRO   A C   
278  O O   . PRO   A 55  ? 0.89329 0.49063 0.70168 -0.01419 -0.03207 -0.03794 52  PRO   A O   
279  C CB  . PRO   A 55  ? 0.88509 0.54569 0.70500 0.03804  -0.01275 -0.05479 52  PRO   A CB  
280  C CG  . PRO   A 55  ? 0.80133 0.50059 0.64400 0.02552  -0.00760 -0.04014 52  PRO   A CG  
281  C CD  . PRO   A 55  ? 0.85338 0.54075 0.69852 0.03220  -0.01087 -0.02837 52  PRO   A CD  
282  N N   . ALA   A 56  ? 0.86589 0.40935 0.64226 0.00929  -0.04002 -0.06472 53  ALA   A N   
283  C CA  . ALA   A 56  ? 0.82022 0.33709 0.58866 -0.01869 -0.04991 -0.06570 53  ALA   A CA  
284  C C   . ALA   A 56  ? 0.82201 0.38269 0.60553 -0.03857 -0.04503 -0.06535 53  ALA   A C   
285  O O   . ALA   A 56  ? 0.72498 0.28657 0.51448 -0.06518 -0.04921 -0.05750 53  ALA   A O   
286  C CB  . ALA   A 56  ? 0.89738 0.38544 0.65143 -0.01194 -0.05804 -0.08054 53  ALA   A CB  
287  N N   . ARG   A 57  ? 0.76766 0.36653 0.55809 -0.02571 -0.03604 -0.07254 54  ARG   A N   
288  C CA  . ARG   A 57  ? 0.61240 0.25088 0.41580 -0.04093 -0.03209 -0.07271 54  ARG   A CA  
289  C C   . ARG   A 57  ? 0.58268 0.26897 0.40295 -0.02711 -0.01946 -0.06827 54  ARG   A C   
290  O O   . ARG   A 57  ? 0.59692 0.28720 0.41503 -0.00399 -0.01400 -0.07082 54  ARG   A O   
291  C CB  . ARG   A 57  ? 0.70014 0.32721 0.48806 -0.04407 -0.03850 -0.08957 54  ARG   A CB  
292  C CG  . ARG   A 57  ? 0.80085 0.38457 0.57546 -0.05988 -0.05244 -0.09456 54  ARG   A CG  
293  C CD  . ARG   A 57  ? 0.84486 0.42919 0.60962 -0.05956 -0.05825 -0.11077 54  ARG   A CD  
294  N NE  . ARG   A 57  ? 0.88194 0.50074 0.65901 -0.07905 -0.05870 -0.10947 54  ARG   A NE  
295  C CZ  . ARG   A 57  ? 0.94520 0.57061 0.73540 -0.10318 -0.06565 -0.10353 54  ARG   A CZ  
296  N NH1 . ARG   A 57  ? 0.93655 0.53516 0.72822 -0.11326 -0.07241 -0.09747 54  ARG   A NH1 
297  N NH2 . ARG   A 57  ? 0.92244 0.58373 0.72485 -0.11668 -0.06557 -0.10297 54  ARG   A NH2 
298  N N   . VAL   A 58  ? 0.52432 0.24717 0.36218 -0.04156 -0.01516 -0.06119 55  VAL   A N   
299  C CA  . VAL   A 58  ? 0.45181 0.21744 0.30522 -0.03238 -0.00499 -0.05763 55  VAL   A CA  
300  C C   . VAL   A 58  ? 0.50015 0.28857 0.35724 -0.04301 -0.00496 -0.06212 55  VAL   A C   
301  O O   . VAL   A 58  ? 0.49390 0.27326 0.34764 -0.06037 -0.01210 -0.06493 55  VAL   A O   
302  C CB  . VAL   A 58  ? 0.44782 0.23580 0.32012 -0.03628 -0.00012 -0.04343 55  VAL   A CB  
303  C CG1 . VAL   A 58  ? 0.48646 0.25442 0.35513 -0.02446 -0.00118 -0.03808 55  VAL   A CG1 
304  C CG2 . VAL   A 58  ? 0.47069 0.26447 0.35022 -0.05916 -0.00316 -0.03712 55  VAL   A CG2 
305  N N   . ARG   A 59  ? 0.42539 0.24425 0.28972 -0.03247 0.00261  -0.06197 56  ARG   A N   
306  C CA  . ARG   A 59  ? 0.40189 0.24645 0.27214 -0.04036 0.00323  -0.06318 56  ARG   A CA  
307  C C   . ARG   A 59  ? 0.38192 0.25827 0.27388 -0.04289 0.00987  -0.05178 56  ARG   A C   
308  O O   . ARG   A 59  ? 0.38339 0.26960 0.28300 -0.03193 0.01603  -0.04600 56  ARG   A O   
309  C CB  . ARG   A 59  ? 0.44213 0.29354 0.29975 -0.02638 0.00561  -0.07175 56  ARG   A CB  
310  C CG  . ARG   A 59  ? 0.43126 0.30755 0.29289 -0.03354 0.00483  -0.07212 56  ARG   A CG  
311  C CD  . ARG   A 59  ? 0.47255 0.35583 0.31845 -0.01887 0.00746  -0.07929 56  ARG   A CD  
312  N NE  . ARG   A 59  ? 0.47859 0.38309 0.32511 -0.02482 0.00498  -0.07949 56  ARG   A NE  
313  C CZ  . ARG   A 59  ? 0.58020 0.49423 0.41159 -0.01448 0.00618  -0.08453 56  ARG   A CZ  
314  N NH1 . ARG   A 59  ? 0.58879 0.49486 0.40311 0.00262  0.01080  -0.09079 56  ARG   A NH1 
315  N NH2 . ARG   A 59  ? 0.50365 0.43734 0.33635 -0.02012 0.00278  -0.08302 56  ARG   A NH2 
316  N N   . CYS   A 60  ? 0.35282 0.24529 0.25498 -0.05695 0.00796  -0.04906 57  CYS   A N   
317  C CA  . CYS   A 60  ? 0.30840 0.22715 0.22902 -0.05860 0.01301  -0.04038 57  CYS   A CA  
318  C C   . CYS   A 60  ? 0.35475 0.29575 0.28179 -0.06294 0.01235  -0.04120 57  CYS   A C   
319  O O   . CYS   A 60  ? 0.34546 0.28481 0.26612 -0.07009 0.00675  -0.04708 57  CYS   A O   
320  C CB  . CYS   A 60  ? 0.31790 0.23548 0.24680 -0.06961 0.01206  -0.03422 57  CYS   A CB  
321  S SG  . CYS   A 60  ? 0.37016 0.26467 0.29337 -0.06333 0.01226  -0.03003 57  CYS   A SG  
322  N N   . SER   A 61  ? 0.32610 0.28714 0.26618 -0.05868 0.01703  -0.03499 58  SER   A N   
323  C CA  . SER   A 61  ? 0.29710 0.27852 0.24673 -0.06236 0.01612  -0.03357 58  SER   A CA  
324  C C   . SER   A 61  ? 0.29296 0.28343 0.25624 -0.06809 0.01734  -0.02914 58  SER   A C   
325  O O   . SER   A 61  ? 0.28564 0.26939 0.25121 -0.06749 0.01953  -0.02582 58  SER   A O   
326  C CB  . SER   A 61  ? 0.27792 0.27157 0.22958 -0.05223 0.01955  -0.02980 58  SER   A CB  
327  O OG  . SER   A 61  ? 0.31928 0.30765 0.25557 -0.04562 0.01926  -0.03419 58  SER   A OG  
328  N N   . HIS   A 62  ? 0.24651 0.25363 0.21802 -0.07254 0.01558  -0.02961 59  HIS   A N   
329  C CA  . HIS   A 62  ? 0.25059 0.26788 0.23309 -0.07505 0.01743  -0.02697 59  HIS   A CA  
330  C C   . HIS   A 62  ? 0.26672 0.30267 0.25909 -0.07105 0.01677  -0.02710 59  HIS   A C   
331  O O   . HIS   A 62  ? 0.27992 0.32324 0.27132 -0.06886 0.01400  -0.02847 59  HIS   A O   
332  C CB  . HIS   A 62  ? 0.26257 0.27968 0.24416 -0.08673 0.01640  -0.02743 59  HIS   A CB  
333  C CG  . HIS   A 62  ? 0.25785 0.29054 0.24318 -0.09502 0.01310  -0.03019 59  HIS   A CG  
334  N ND1 . HIS   A 62  ? 0.25883 0.30878 0.25194 -0.10352 0.01415  -0.02879 59  HIS   A ND1 
335  C CD2 . HIS   A 62  ? 0.30625 0.34345 0.28922 -0.09621 0.00852  -0.03397 59  HIS   A CD2 
336  C CE1 . HIS   A 62  ? 0.30052 0.36672 0.29852 -0.11014 0.01042  -0.03110 59  HIS   A CE1 
337  N NE2 . HIS   A 62  ? 0.31129 0.36895 0.30281 -0.10610 0.00616  -0.03461 59  HIS   A NE2 
338  N N   . LEU   A 63  ? 0.23770 0.28007 0.23825 -0.06895 0.01858  -0.02608 60  LEU   A N   
339  C CA  . LEU   A 63  ? 0.22342 0.28095 0.23316 -0.06354 0.01763  -0.02740 60  LEU   A CA  
340  C C   . LEU   A 63  ? 0.24621 0.31656 0.26022 -0.06788 0.01940  -0.03003 60  LEU   A C   
341  O O   . LEU   A 63  ? 0.23079 0.29481 0.24269 -0.06909 0.02154  -0.02948 60  LEU   A O   
342  C CB  . LEU   A 63  ? 0.22375 0.27342 0.23735 -0.05504 0.01768  -0.02464 60  LEU   A CB  
343  C CG  . LEU   A 63  ? 0.24670 0.30314 0.26786 -0.04653 0.01521  -0.02542 60  LEU   A CG  
344  C CD1 . LEU   A 63  ? 0.23582 0.27735 0.25860 -0.04170 0.01408  -0.01990 60  LEU   A CD1 
345  C CD2 . LEU   A 63  ? 0.25086 0.31693 0.27694 -0.04444 0.01579  -0.03121 60  LEU   A CD2 
346  N N   . LEU   A 64  ? 0.22008 0.31123 0.23991 -0.07015 0.01856  -0.03236 61  LEU   A N   
347  C CA  . LEU   A 64  ? 0.21684 0.32710 0.24135 -0.07444 0.02166  -0.03392 61  LEU   A CA  
348  C C   . LEU   A 64  ? 0.22645 0.35338 0.25966 -0.06210 0.02216  -0.03812 61  LEU   A C   
349  O O   . LEU   A 64  ? 0.19789 0.33303 0.23706 -0.05484 0.01887  -0.03911 61  LEU   A O   
350  C CB  . LEU   A 64  ? 0.20858 0.33527 0.23597 -0.08689 0.02050  -0.03295 61  LEU   A CB  
351  C CG  . LEU   A 64  ? 0.19517 0.35104 0.23044 -0.09261 0.02453  -0.03264 61  LEU   A CG  
352  C CD1 . LEU   A 64  ? 0.24655 0.39337 0.27370 -0.09840 0.02911  -0.02934 61  LEU   A CD1 
353  C CD2 . LEU   A 64  ? 0.24874 0.42183 0.28993 -0.10675 0.02150  -0.03066 61  LEU   A CD2 
354  N N   . VAL   A 65  ? 0.20733 0.33860 0.23979 -0.05847 0.02566  -0.04099 62  VAL   A N   
355  C CA  . VAL   A 65  ? 0.20482 0.35470 0.24415 -0.04596 0.02668  -0.04711 62  VAL   A CA  
356  C C   . VAL   A 65  ? 0.21806 0.39860 0.26051 -0.05174 0.03243  -0.04769 62  VAL   A C   
357  O O   . VAL   A 65  ? 0.23129 0.40966 0.26588 -0.05923 0.03625  -0.04573 62  VAL   A O   
358  C CB  . VAL   A 65  ? 0.21139 0.34235 0.24571 -0.03536 0.02546  -0.05195 62  VAL   A CB  
359  C CG1 . VAL   A 65  ? 0.22575 0.37270 0.26498 -0.02016 0.02590  -0.06029 62  VAL   A CG1 
360  C CG2 . VAL   A 65  ? 0.20480 0.30802 0.23801 -0.03254 0.02017  -0.04864 62  VAL   A CG2 
361  N N   . LYS   A 66  ? 0.21164 0.42305 0.26591 -0.04859 0.03302  -0.04909 63  LYS   A N   
362  C CA  . LYS   A 66  ? 0.18726 0.43504 0.24744 -0.05420 0.03945  -0.04838 63  LYS   A CA  
363  C C   . LYS   A 66  ? 0.21637 0.47998 0.27603 -0.03756 0.04429  -0.05659 63  LYS   A C   
364  O O   . LYS   A 66  ? 0.22991 0.47564 0.28648 -0.02119 0.04094  -0.06381 63  LYS   A O   
365  C CB  . LYS   A 66  ? 0.20195 0.48180 0.27753 -0.05940 0.03768  -0.04583 63  LYS   A CB  
366  C CG  . LYS   A 66  ? 0.19405 0.46179 0.26785 -0.07892 0.03308  -0.03903 63  LYS   A CG  
367  C CD  . LYS   A 66  ? 0.23412 0.53797 0.32409 -0.08679 0.03010  -0.03697 63  LYS   A CD  
368  C CE  . LYS   A 66  ? 0.32857 0.61776 0.41435 -0.10846 0.02467  -0.03167 63  LYS   A CE  
369  N NZ  . LYS   A 66  ? 0.29265 0.61764 0.39437 -0.12010 0.02051  -0.02939 63  LYS   A NZ  
370  N N   . HIS   A 67  ? 0.23344 0.53066 0.29524 -0.04207 0.05212  -0.05538 64  HIS   A N   
371  C CA  . HIS   A 67  ? 0.24339 0.56178 0.30325 -0.02506 0.05792  -0.06437 64  HIS   A CA  
372  C C   . HIS   A 67  ? 0.23971 0.61260 0.31257 -0.02894 0.06623  -0.06106 64  HIS   A C   
373  O O   . HIS   A 67  ? 0.22907 0.61960 0.31259 -0.04710 0.06621  -0.05129 64  HIS   A O   
374  C CB  . HIS   A 67  ? 0.25586 0.55277 0.29645 -0.02493 0.06019  -0.06706 64  HIS   A CB  
375  C CG  . HIS   A 67  ? 0.24864 0.54413 0.28150 -0.04633 0.06365  -0.05561 64  HIS   A CG  
376  N ND1 . HIS   A 67  ? 0.23402 0.56701 0.26881 -0.05623 0.07241  -0.04890 64  HIS   A ND1 
377  C CD2 . HIS   A 67  ? 0.29100 0.55209 0.31447 -0.05927 0.05931  -0.04868 64  HIS   A CD2 
378  C CE1 . HIS   A 67  ? 0.34967 0.66731 0.37528 -0.07498 0.07255  -0.03780 64  HIS   A CE1 
379  N NE2 . HIS   A 67  ? 0.31814 0.59214 0.33676 -0.07594 0.06455  -0.03822 64  HIS   A NE2 
380  N N   . SER   A 68  ? 0.24657 0.64707 0.31829 -0.01199 0.07321  -0.06951 65  SER   A N   
381  C CA  . SER   A 68  ? 0.25844 0.70071 0.34087 -0.01150 0.07714  -0.06483 65  SER   A CA  
382  C C   . SER   A 68  ? 0.28041 0.73118 0.35902 -0.03564 0.08033  -0.05008 65  SER   A C   
383  O O   . SER   A 68  ? 0.30125 0.78310 0.39104 -0.04159 0.08173  -0.04289 65  SER   A O   
384  C CB  . SER   A 68  ? 0.26084 0.71846 0.33724 0.01333  0.08152  -0.07643 65  SER   A CB  
385  O OG  . SER   A 68  ? 0.31748 0.76385 0.37359 0.01175  0.08619  -0.07803 65  SER   A OG  
386  N N   . GLN   A 69  ? 0.25663 0.68017 0.31976 -0.04918 0.08103  -0.04503 66  GLN   A N   
387  C CA  . GLN   A 69  ? 0.30848 0.73374 0.36657 -0.07100 0.08276  -0.03024 66  GLN   A CA  
388  C C   . GLN   A 69  ? 0.29495 0.69391 0.35567 -0.09260 0.07578  -0.02064 66  GLN   A C   
389  O O   . GLN   A 69  ? 0.28303 0.67434 0.33808 -0.11068 0.07548  -0.00849 66  GLN   A O   
390  C CB  . GLN   A 69  ? 0.32694 0.74001 0.36403 -0.07071 0.08742  -0.02941 66  GLN   A CB  
391  C CG  . GLN   A 69  ? 0.36746 0.80504 0.39795 -0.05059 0.09382  -0.03867 66  GLN   A CG  
392  C CD  . GLN   A 69  ? 0.51607 0.94282 0.52410 -0.05247 0.09735  -0.03641 66  GLN   A CD  
393  O OE1 . GLN   A 69  ? 0.40421 0.83958 0.40777 -0.06736 0.10031  -0.02267 66  GLN   A OE1 
394  N NE2 . GLN   A 69  ? 0.53712 0.94327 0.53020 -0.03767 0.09603  -0.04975 66  GLN   A NE2 
395  N N   . SER   A 70  ? 0.23465 0.61827 0.30292 -0.09019 0.06966  -0.02597 67  SER   A N   
396  C CA  . SER   A 70  ? 0.24019 0.59985 0.31019 -0.10863 0.06208  -0.01861 67  SER   A CA  
397  C C   . SER   A 70  ? 0.23585 0.61639 0.31570 -0.12270 0.06003  -0.00929 67  SER   A C   
398  O O   . SER   A 70  ? 0.29547 0.71405 0.38749 -0.11574 0.06306  -0.01022 67  SER   A O   
399  C CB  . SER   A 70  ? 0.19444 0.54299 0.27262 -0.10160 0.05591  -0.02632 67  SER   A CB  
400  O OG  . SER   A 70  ? 0.20500 0.52175 0.27150 -0.08997 0.05509  -0.03306 67  SER   A OG  
401  N N   . ARG   A 71  ? 0.31049 0.66484 0.38485 -0.14206 0.05449  -0.00064 68  ARG   A N   
402  C CA  . ARG   A 71  ? 0.32818 0.69755 0.41113 -0.15806 0.05157  0.00838  68  ARG   A CA  
403  C C   . ARG   A 71  ? 0.37107 0.77015 0.47253 -0.15331 0.04771  0.00379  68  ARG   A C   
404  O O   . ARG   A 71  ? 0.35057 0.78507 0.46426 -0.15728 0.04962  0.00851  68  ARG   A O   
405  C CB  . ARG   A 71  ? 0.44563 0.77442 0.51895 -0.17666 0.04407  0.01520  68  ARG   A CB  
406  C CG  . ARG   A 71  ? 0.59842 0.93829 0.67948 -0.19543 0.04054  0.02500  68  ARG   A CG  
407  C CD  . ARG   A 71  ? 0.70375 0.99935 0.77512 -0.21144 0.03146  0.02906  68  ARG   A CD  
408  N NE  . ARG   A 71  ? 0.80836 1.11458 0.89066 -0.22801 0.02528  0.03434  68  ARG   A NE  
409  C CZ  . ARG   A 71  ? 0.74250 1.05282 0.82600 -0.24451 0.02586  0.04615  68  ARG   A CZ  
410  N NH1 . ARG   A 71  ? 0.75098 1.05534 0.82420 -0.24663 0.03229  0.05479  68  ARG   A NH1 
411  N NH2 . ARG   A 71  ? 0.69143 1.01251 0.78678 -0.25989 0.01937  0.04979  68  ARG   A NH2 
412  N N   . ARG   A 72  ? 0.35696 0.74376 0.46100 -0.14492 0.04203  -0.00465 69  ARG   A N   
413  C CA  . ARG   A 72  ? 0.37302 0.78891 0.49384 -0.13587 0.03800  -0.00984 69  ARG   A CA  
414  C C   . ARG   A 72  ? 0.26798 0.68690 0.39028 -0.11251 0.04044  -0.02037 69  ARG   A C   
415  O O   . ARG   A 72  ? 0.27623 0.66784 0.39310 -0.10948 0.03592  -0.02511 69  ARG   A O   
416  C CB  . ARG   A 72  ? 0.41194 0.81078 0.53456 -0.14806 0.02675  -0.00956 69  ARG   A CB  
417  C CG  . ARG   A 72  ? 0.50895 0.89724 0.62937 -0.17162 0.02230  -0.00051 69  ARG   A CG  
418  C CD  . ARG   A 72  ? 0.63683 1.06739 0.77206 -0.17815 0.02560  0.00652  69  ARG   A CD  
419  N NE  . ARG   A 72  ? 0.74735 1.16907 0.88429 -0.20117 0.01872  0.01411  69  ARG   A NE  
420  C CZ  . ARG   A 72  ? 0.72657 1.14139 0.85885 -0.21682 0.02156  0.02429  69  ARG   A CZ  
421  N NH1 . ARG   A 72  ? 0.63983 1.05787 0.76458 -0.21233 0.03137  0.02870  69  ARG   A NH1 
422  N NH2 . ARG   A 72  ? 0.76015 1.16456 0.89513 -0.23750 0.01376  0.03018  69  ARG   A NH2 
423  N N   . PRO   A 73  ? 0.27299 0.72283 0.40182 -0.09491 0.04731  -0.02459 70  PRO   A N   
424  C CA  . PRO   A 73  ? 0.23000 0.67839 0.35915 -0.07066 0.04924  -0.03565 70  PRO   A CA  
425  C C   . PRO   A 73  ? 0.27042 0.73231 0.41389 -0.05781 0.04186  -0.04047 70  PRO   A C   
426  O O   . PRO   A 73  ? 0.25128 0.73976 0.40463 -0.03747 0.04318  -0.04574 70  PRO   A O   
427  C CB  . PRO   A 73  ? 0.28259 0.75678 0.41051 -0.05677 0.05854  -0.03856 70  PRO   A CB  
428  C CG  . PRO   A 73  ? 0.26490 0.77132 0.40215 -0.06905 0.05982  -0.02948 70  PRO   A CG  
429  C CD  . PRO   A 73  ? 0.30899 0.79415 0.44339 -0.09594 0.05391  -0.01960 70  PRO   A CD  
430  N N   . SER   A 74  ? 0.24467 0.68620 0.38754 -0.06885 0.03318  -0.03856 71  SER   A N   
431  C CA  . SER   A 74  ? 0.20359 0.65566 0.35761 -0.06014 0.02399  -0.04107 71  SER   A CA  
432  C C   . SER   A 74  ? 0.26032 0.67031 0.40139 -0.06821 0.01641  -0.04082 71  SER   A C   
433  O O   . SER   A 74  ? 0.26942 0.65297 0.39844 -0.08639 0.01703  -0.03738 71  SER   A O   
434  C CB  . SER   A 74  ? 0.22292 0.70426 0.38851 -0.07013 0.01920  -0.03559 71  SER   A CB  
435  O OG  . SER   A 74  ? 0.28981 0.78901 0.46696 -0.05659 0.01090  -0.03824 71  SER   A OG  
436  N N   . SER   A 75  ? 0.19457 0.59129 0.33359 -0.05252 0.00901  -0.04343 72  SER   A N   
437  C CA  . SER   A 75  ? 0.25177 0.60720 0.37465 -0.05769 0.00179  -0.04215 72  SER   A CA  
438  C C   . SER   A 75  ? 0.24120 0.60447 0.36841 -0.04398 -0.00754 -0.04242 72  SER   A C   
439  O O   . SER   A 75  ? 0.23816 0.63441 0.38065 -0.02897 -0.00861 -0.04373 72  SER   A O   
440  C CB  . SER   A 75  ? 0.28742 0.59702 0.39233 -0.05114 0.00597  -0.04313 72  SER   A CB  
441  O OG  . SER   A 75  ? 0.24301 0.54392 0.34779 -0.02865 0.00483  -0.04561 72  SER   A OG  
442  N N   . TRP   A 76  ? 0.25965 0.59241 0.37200 -0.04756 -0.01419 -0.04090 73  TRP   A N   
443  C CA  . TRP   A 76  ? 0.21488 0.55005 0.32667 -0.03362 -0.02299 -0.03947 73  TRP   A CA  
444  C C   . TRP   A 76  ? 0.27135 0.59614 0.38383 -0.00937 -0.02104 -0.03917 73  TRP   A C   
445  O O   . TRP   A 76  ? 0.26398 0.60080 0.38156 0.00576  -0.02793 -0.03716 73  TRP   A O   
446  C CB  . TRP   A 76  ? 0.25177 0.55412 0.34351 -0.04056 -0.02849 -0.03773 73  TRP   A CB  
447  C CG  . TRP   A 76  ? 0.27391 0.53278 0.34907 -0.03598 -0.02274 -0.03600 73  TRP   A CG  
448  C CD1 . TRP   A 76  ? 0.25063 0.48491 0.31645 -0.04733 -0.01634 -0.03700 73  TRP   A CD1 
449  C CD2 . TRP   A 76  ? 0.27697 0.51359 0.34430 -0.01965 -0.02355 -0.03171 73  TRP   A CD2 
450  N NE1 . TRP   A 76  ? 0.28007 0.48208 0.33448 -0.03900 -0.01310 -0.03424 73  TRP   A NE1 
451  C CE2 . TRP   A 76  ? 0.25596 0.45836 0.31128 -0.02326 -0.01725 -0.03059 73  TRP   A CE2 
452  C CE3 . TRP   A 76  ? 0.28183 0.52416 0.35162 -0.00268 -0.02953 -0.02751 73  TRP   A CE3 
453  C CZ2 . TRP   A 76  ? 0.29894 0.47496 0.34623 -0.01277 -0.01653 -0.02519 73  TRP   A CZ2 
454  C CZ3 . TRP   A 76  ? 0.33236 0.54410 0.39217 0.00796  -0.02885 -0.02155 73  TRP   A CZ3 
455  C CH2 . TRP   A 76  ? 0.32204 0.50209 0.37157 0.00182  -0.02224 -0.02036 73  TRP   A CH2 
456  N N   . ARG   A 77  ? 0.23671 0.53845 0.34372 -0.00538 -0.01297 -0.04115 74  ARG   A N   
457  C CA  . ARG   A 77  ? 0.24067 0.52594 0.34665 0.01608  -0.01255 -0.04204 74  ARG   A CA  
458  C C   . ARG   A 77  ? 0.30024 0.61984 0.42270 0.03191  -0.01034 -0.04732 74  ARG   A C   
459  O O   . ARG   A 77  ? 0.31692 0.63015 0.44142 0.05340  -0.01381 -0.04832 74  ARG   A O   
460  C CB  . ARG   A 77  ? 0.25349 0.50048 0.34676 0.01351  -0.00646 -0.04326 74  ARG   A CB  
461  C CG  . ARG   A 77  ? 0.25338 0.46948 0.33161 -0.00063 -0.00678 -0.03848 74  ARG   A CG  
462  C CD  . ARG   A 77  ? 0.28977 0.47012 0.35856 0.00182  -0.00318 -0.03822 74  ARG   A CD  
463  N NE  . ARG   A 77  ? 0.31250 0.47711 0.38171 0.01911  -0.00737 -0.03655 74  ARG   A NE  
464  C CZ  . ARG   A 77  ? 0.30036 0.44648 0.36866 0.02779  -0.00606 -0.04048 74  ARG   A CZ  
465  N NH1 . ARG   A 77  ? 0.34186 0.48513 0.40795 0.02166  -0.00026 -0.04635 74  ARG   A NH1 
466  N NH2 . ARG   A 77  ? 0.36130 0.48994 0.42972 0.04296  -0.01167 -0.03845 74  ARG   A NH2 
467  N N   . GLN   A 78  ? 0.25889 0.61462 0.39280 0.02217  -0.00454 -0.05022 75  GLN   A N   
468  C CA  . GLN   A 78  ? 0.29035 0.67996 0.43801 0.03721  0.00108  -0.05617 75  GLN   A CA  
469  C C   . GLN   A 78  ? 0.30603 0.74748 0.47055 0.02212  0.00478  -0.05479 75  GLN   A C   
470  O O   . GLN   A 78  ? 0.22777 0.66598 0.38754 -0.00030 0.00942  -0.05227 75  GLN   A O   
471  C CB  . GLN   A 78  ? 0.31826 0.68347 0.45475 0.04149  0.00926  -0.06195 75  GLN   A CB  
472  C CG  . GLN   A 78  ? 0.48011 0.82340 0.61217 0.06726  0.00741  -0.06825 75  GLN   A CG  
473  C CD  . GLN   A 78  ? 0.38053 0.70965 0.50258 0.06983  0.01524  -0.07610 75  GLN   A CD  
474  O OE1 . GLN   A 78  ? 0.32001 0.63081 0.43129 0.05188  0.01916  -0.07402 75  GLN   A OE1 
475  N NE2 . GLN   A 78  ? 0.41252 0.75133 0.53724 0.09320  0.01716  -0.08577 75  GLN   A NE2 
476  N N   . GLU   A 79  ? 0.23240 0.72221 0.41738 0.03418  0.00264  -0.05563 76  GLU   A N   
477  C CA  . GLU   A 79  ? 0.20327 0.73434 0.40068 0.01734  0.00581  -0.05181 76  GLU   A CA  
478  C C   . GLU   A 79  ? 0.23995 0.77667 0.43269 0.01247  0.01850  -0.05324 76  GLU   A C   
479  O O   . GLU   A 79  ? 0.21256 0.75588 0.40363 -0.01091 0.02187  -0.04723 76  GLU   A O   
480  C CB  . GLU   A 79  ? 0.23406 0.80043 0.44622 0.03167  0.00071  -0.05063 76  GLU   A CB  
481  C CG  . GLU   A 79  ? 0.26012 0.86021 0.48182 0.01249  0.00274  -0.04490 76  GLU   A CG  
482  C CD  . GLU   A 79  ? 0.21450 0.84928 0.45192 0.02246  -0.00470 -0.04277 76  GLU   A CD  
483  O OE1 . GLU   A 79  ? 0.21974 0.85442 0.46009 0.04870  -0.00933 -0.04611 76  GLU   A OE1 
484  O OE2 . GLU   A 79  ? 0.25830 0.91882 0.50503 0.00413  -0.00658 -0.03734 76  GLU   A OE2 
485  N N   . LYS   A 80  ? 0.22454 0.75669 0.41334 0.03487  0.02466  -0.06100 77  LYS   A N   
486  C CA  . LYS   A 80  ? 0.21686 0.75204 0.39710 0.03236  0.03602  -0.06326 77  LYS   A CA  
487  C C   . LYS   A 80  ? 0.27541 0.77341 0.44100 0.04087  0.03916  -0.07093 77  LYS   A C   
488  O O   . LYS   A 80  ? 0.29455 0.77696 0.45751 0.06615  0.03677  -0.07966 77  LYS   A O   
489  C CB  . LYS   A 80  ? 0.21549 0.78400 0.40243 0.05177  0.04076  -0.06712 77  LYS   A CB  
490  C CG  . LYS   A 80  ? 0.28795 0.86854 0.46659 0.04518  0.05182  -0.06677 77  LYS   A CG  
491  C CD  . LYS   A 80  ? 0.28870 0.90306 0.47315 0.06693  0.05648  -0.07177 77  LYS   A CD  
492  C CE  . LYS   A 80  ? 0.39763 1.02974 0.57406 0.05953  0.06729  -0.06988 77  LYS   A CE  
493  N NZ  . LYS   A 80  ? 0.41962 1.07466 0.60352 0.02998  0.06917  -0.05599 77  LYS   A NZ  
494  N N   . ILE   A 81  ? 0.20660 0.68577 0.36100 0.01992  0.04344  -0.06741 78  ILE   A N   
495  C CA  . ILE   A 81  ? 0.19866 0.62814 0.33147 0.02396  0.04418  -0.07215 78  ILE   A CA  
496  C C   . ILE   A 81  ? 0.28752 0.73462 0.41447 0.03429  0.05460  -0.07956 78  ILE   A C   
497  O O   . ILE   A 81  ? 0.23671 0.70591 0.36237 0.01994  0.06127  -0.07349 78  ILE   A O   
498  C CB  . ILE   A 81  ? 0.28815 0.68279 0.40833 -0.00124 0.04219  -0.06426 78  ILE   A CB  
499  C CG1 . ILE   A 81  ? 0.27447 0.64932 0.39675 -0.00601 0.03172  -0.05964 78  ILE   A CG1 
500  C CG2 . ILE   A 81  ? 0.25065 0.60245 0.35062 0.00192  0.04370  -0.06845 78  ILE   A CG2 
501  C CD1 . ILE   A 81  ? 0.27896 0.61416 0.38712 -0.02415 0.02873  -0.05421 78  ILE   A CD1 
502  N N   . THR   A 82  ? 0.27327 0.69762 0.39067 0.05834  0.05301  -0.09094 79  THR   A N   
503  C CA  . THR   A 82  ? 0.25823 0.69834 0.36783 0.07426  0.06117  -0.10134 79  THR   A CA  
504  C C   . THR   A 82  ? 0.25021 0.64558 0.33623 0.07510  0.06066  -0.10826 79  THR   A C   
505  O O   . THR   A 82  ? 0.31176 0.71839 0.38675 0.08452  0.06735  -0.11658 79  THR   A O   
506  C CB  . THR   A 82  ? 0.29958 0.74728 0.41470 0.10421  0.05742  -0.11066 79  THR   A CB  
507  O OG1 . THR   A 82  ? 0.37242 0.77907 0.48527 0.11787  0.04745  -0.11586 79  THR   A OG1 
508  C CG2 . THR   A 82  ? 0.30241 0.79191 0.43708 0.10225  0.05641  -0.10207 79  THR   A CG2 
509  N N   . ARG   A 83  ? 0.32074 0.66546 0.39773 0.06533  0.05196  -0.10439 80  ARG   A N   
510  C CA  . ARG   A 83  ? 0.27731 0.58011 0.33402 0.06582  0.04945  -0.11058 80  ARG   A CA  
511  C C   . ARG   A 83  ? 0.29705 0.61398 0.34293 0.05014  0.05792  -0.10707 80  ARG   A C   
512  O O   . ARG   A 83  ? 0.26392 0.60620 0.31686 0.03126  0.06324  -0.09546 80  ARG   A O   
513  C CB  . ARG   A 83  ? 0.29639 0.55002 0.34918 0.05596  0.03948  -0.10433 80  ARG   A CB  
514  C CG  . ARG   A 83  ? 0.26433 0.51581 0.31900 0.03047  0.04028  -0.09049 80  ARG   A CG  
515  C CD  . ARG   A 83  ? 0.23760 0.44372 0.28686 0.02377  0.03200  -0.08561 80  ARG   A CD  
516  N NE  . ARG   A 83  ? 0.26145 0.45875 0.31966 0.03229  0.02516  -0.08327 80  ARG   A NE  
517  C CZ  . ARG   A 83  ? 0.28111 0.48807 0.34760 0.02307  0.02343  -0.07435 80  ARG   A CZ  
518  N NH1 . ARG   A 83  ? 0.21954 0.44281 0.28748 0.00473  0.02744  -0.06780 80  ARG   A NH1 
519  N NH2 . ARG   A 83  ? 0.29033 0.48855 0.36230 0.03240  0.01665  -0.07191 80  ARG   A NH2 
520  N N   . THR   A 84  ? 0.25865 0.55851 0.28631 0.05816  0.05832  -0.11715 81  THR   A N   
521  C CA  . THR   A 84  ? 0.28392 0.59523 0.29799 0.04533  0.06545  -0.11360 81  THR   A CA  
522  C C   . THR   A 84  ? 0.28529 0.56319 0.29380 0.02311  0.06044  -0.10201 81  THR   A C   
523  O O   . THR   A 84  ? 0.26970 0.51209 0.28123 0.02074  0.05152  -0.10013 81  THR   A O   
524  C CB  . THR   A 84  ? 0.34567 0.64990 0.33955 0.06216  0.06618  -0.12940 81  THR   A CB  
525  O OG1 . THR   A 84  ? 0.33558 0.58701 0.31893 0.06445  0.05427  -0.13586 81  THR   A OG1 
526  C CG2 . THR   A 84  ? 0.36652 0.69682 0.36472 0.08841  0.06956  -0.14270 81  THR   A CG2 
527  N N   . LYS   A 85  ? 0.28421 0.57521 0.28434 0.00743  0.06660  -0.09333 82  LYS   A N   
528  C CA  . LYS   A 85  ? 0.28782 0.54737 0.28105 -0.01078 0.06188  -0.08309 82  LYS   A CA  
529  C C   . LYS   A 85  ? 0.26837 0.48645 0.24981 -0.00383 0.05266  -0.09137 82  LYS   A C   
530  O O   . LYS   A 85  ? 0.29443 0.48173 0.27795 -0.01258 0.04579  -0.08546 82  LYS   A O   
531  C CB  . LYS   A 85  ? 0.36865 0.64723 0.35155 -0.02546 0.06939  -0.07301 82  LYS   A CB  
532  C CG  . LYS   A 85  ? 0.43553 0.68155 0.41044 -0.04184 0.06419  -0.06234 82  LYS   A CG  
533  C CD  . LYS   A 85  ? 0.46609 0.72742 0.42824 -0.05458 0.07057  -0.05157 82  LYS   A CD  
534  C CE  . LYS   A 85  ? 0.52029 0.81445 0.49414 -0.06861 0.07823  -0.03955 82  LYS   A CE  
535  N NZ  . LYS   A 85  ? 0.51882 0.82909 0.47965 -0.08056 0.08471  -0.02744 82  LYS   A NZ  
536  N N   . GLU   A 86  ? 0.33135 0.54951 0.30055 0.01197  0.05213  -0.10553 83  GLU   A N   
537  C CA  . GLU   A 86  ? 0.29294 0.47234 0.25148 0.01744  0.04176  -0.11461 83  GLU   A CA  
538  C C   . GLU   A 86  ? 0.28745 0.43828 0.25840 0.02332  0.03300  -0.11696 83  GLU   A C   
539  O O   . GLU   A 86  ? 0.28073 0.39835 0.25137 0.01669  0.02442  -0.11426 83  GLU   A O   
540  C CB  . GLU   A 86  ? 0.33581 0.52199 0.27674 0.03413  0.04240  -0.13154 83  GLU   A CB  
541  C CG  . GLU   A 86  ? 0.47522 0.68615 0.39858 0.02820  0.04998  -0.12869 83  GLU   A CG  
542  C CD  . GLU   A 86  ? 0.56101 0.82072 0.49046 0.02382  0.06422  -0.11909 83  GLU   A CD  
543  O OE1 . GLU   A 86  ? 0.44255 0.72703 0.38640 0.03364  0.06942  -0.12211 83  GLU   A OE1 
544  O OE2 . GLU   A 86  ? 0.63208 0.90620 0.55236 0.00974  0.06972  -0.10728 83  GLU   A OE2 
545  N N   . GLU   A 87  ? 0.29994 0.46580 0.28271 0.03545  0.03512  -0.12036 84  GLU   A N   
546  C CA  . GLU   A 87  ? 0.29435 0.43451 0.28813 0.04121  0.02694  -0.12007 84  GLU   A CA  
547  C C   . GLU   A 87  ? 0.32027 0.45169 0.32439 0.02391  0.02560  -0.10429 84  GLU   A C   
548  O O   . GLU   A 87  ? 0.29635 0.39731 0.30386 0.02189  0.01791  -0.10083 84  GLU   A O   
549  C CB  . GLU   A 87  ? 0.32407 0.48643 0.32767 0.05990  0.02940  -0.12660 84  GLU   A CB  
550  C CG  . GLU   A 87  ? 0.36846 0.52798 0.36062 0.08237  0.02800  -0.14524 84  GLU   A CG  
551  C CD  . GLU   A 87  ? 0.39911 0.59234 0.40061 0.10316  0.03327  -0.15218 84  GLU   A CD  
552  O OE1 . GLU   A 87  ? 0.35445 0.58168 0.37199 0.09775  0.03920  -0.14191 84  GLU   A OE1 
553  O OE2 . GLU   A 87  ? 0.44513 0.63137 0.43782 0.12562  0.03088  -0.16873 84  GLU   A OE2 
554  N N   . ALA   A 88  ? 0.24131 0.39888 0.24975 0.01112  0.03290  -0.09452 85  ALA   A N   
555  C CA  . ALA   A 88  ? 0.22468 0.37234 0.23963 -0.00428 0.03137  -0.08167 85  ALA   A CA  
556  C C   . ALA   A 88  ? 0.25338 0.37150 0.26001 -0.01410 0.02703  -0.07755 85  ALA   A C   
557  O O   . ALA   A 88  ? 0.26349 0.36114 0.27467 -0.01924 0.02258  -0.07107 85  ALA   A O   
558  C CB  . ALA   A 88  ? 0.25884 0.43711 0.27846 -0.01680 0.03868  -0.07336 85  ALA   A CB  
559  N N   . LEU   A 89  ? 0.25864 0.37735 0.25299 -0.01626 0.02840  -0.08072 86  LEU   A N   
560  C CA  . LEU   A 89  ? 0.24825 0.34271 0.23610 -0.02448 0.02332  -0.07685 86  LEU   A CA  
561  C C   . LEU   A 89  ? 0.27275 0.33880 0.26326 -0.01845 0.01420  -0.08188 86  LEU   A C   
562  O O   . LEU   A 89  ? 0.28189 0.32971 0.27649 -0.02607 0.00992  -0.07461 86  LEU   A O   
563  C CB  . LEU   A 89  ? 0.26846 0.37101 0.24124 -0.02637 0.02528  -0.07972 86  LEU   A CB  
564  C CG  . LEU   A 89  ? 0.27557 0.35796 0.24191 -0.03433 0.01932  -0.07528 86  LEU   A CG  
565  C CD1 . LEU   A 89  ? 0.28316 0.35848 0.25661 -0.04597 0.02017  -0.06158 86  LEU   A CD1 
566  C CD2 . LEU   A 89  ? 0.31746 0.41214 0.26701 -0.03537 0.02141  -0.07716 86  LEU   A CD2 
567  N N   . GLU   A 90  ? 0.28011 0.34200 0.26858 -0.00465 0.01098  -0.09399 87  GLU   A N   
568  C CA  . GLU   A 90  ? 0.29339 0.32410 0.28459 -0.00067 0.00100  -0.09768 87  GLU   A CA  
569  C C   . GLU   A 90  ? 0.32598 0.34701 0.33045 -0.00371 -0.00046 -0.08703 87  GLU   A C   
570  O O   . GLU   A 90  ? 0.31908 0.31770 0.32780 -0.00990 -0.00665 -0.08131 87  GLU   A O   
571  C CB  . GLU   A 90  ? 0.37243 0.39611 0.35726 0.01638  -0.00308 -0.11366 87  GLU   A CB  
572  C CG  . GLU   A 90  ? 0.54639 0.56144 0.51544 0.01788  -0.00786 -0.12549 87  GLU   A CG  
573  C CD  . GLU   A 90  ? 0.61589 0.60951 0.58560 0.00310  -0.01582 -0.11899 87  GLU   A CD  
574  O OE1 . GLU   A 90  ? 0.65055 0.61802 0.62912 -0.00011 -0.02410 -0.11569 87  GLU   A OE1 
575  O OE2 . GLU   A 90  ? 0.66217 0.66716 0.62460 -0.00554 -0.01369 -0.11559 87  GLU   A OE2 
576  N N   . LEU   A 91  ? 0.25479 0.29525 0.26595 -0.00030 0.00512  -0.08337 88  LEU   A N   
577  C CA  . LEU   A 91  ? 0.23871 0.27257 0.25953 -0.00311 0.00373  -0.07302 88  LEU   A CA  
578  C C   . LEU   A 91  ? 0.25317 0.28238 0.27487 -0.01776 0.00518  -0.06181 88  LEU   A C   
579  O O   . LEU   A 91  ? 0.25456 0.26723 0.28073 -0.02131 0.00158  -0.05423 88  LEU   A O   
580  C CB  . LEU   A 91  ? 0.24103 0.30091 0.26807 0.00228  0.00852  -0.07202 88  LEU   A CB  
581  C CG  . LEU   A 91  ? 0.30469 0.36882 0.33416 0.02047  0.00620  -0.08145 88  LEU   A CG  
582  C CD1 . LEU   A 91  ? 0.27963 0.38014 0.31668 0.02484  0.01193  -0.08129 88  LEU   A CD1 
583  C CD2 . LEU   A 91  ? 0.33360 0.36963 0.36683 0.02671  -0.00205 -0.07764 88  LEU   A CD2 
584  N N   . ILE   A 92  ? 0.23767 0.28185 0.25479 -0.02572 0.01068  -0.06004 89  ILE   A N   
585  C CA  . ILE   A 92  ? 0.23285 0.27183 0.24931 -0.03708 0.01197  -0.05077 89  ILE   A CA  
586  C C   . ILE   A 92  ? 0.22139 0.24116 0.23793 -0.03996 0.00644  -0.04922 89  ILE   A C   
587  O O   . ILE   A 92  ? 0.24288 0.25387 0.26458 -0.04445 0.00533  -0.04097 89  ILE   A O   
588  C CB  . ILE   A 92  ? 0.23363 0.28777 0.24340 -0.04414 0.01740  -0.04950 89  ILE   A CB  
589  C CG1 . ILE   A 92  ? 0.25363 0.32636 0.26685 -0.04634 0.02193  -0.04738 89  ILE   A CG1 
590  C CG2 . ILE   A 92  ? 0.25419 0.29775 0.26076 -0.05263 0.01697  -0.04208 89  ILE   A CG2 
591  C CD1 . ILE   A 92  ? 0.21069 0.27631 0.22580 -0.05303 0.02183  -0.03963 89  ILE   A CD1 
592  N N   . ASN   A 93  ? 0.24440 0.25939 0.25544 -0.03723 0.00257  -0.05743 90  ASN   A N   
593  C CA  . ASN   A 93  ? 0.24357 0.24226 0.25594 -0.04157 -0.00454 -0.05667 90  ASN   A CA  
594  C C   . ASN   A 93  ? 0.27661 0.25819 0.29902 -0.04144 -0.00976 -0.05217 90  ASN   A C   
595  O O   . ASN   A 93  ? 0.29351 0.26838 0.32289 -0.04894 -0.01254 -0.04399 90  ASN   A O   
596  C CB  . ASN   A 93  ? 0.29013 0.28542 0.29264 -0.03755 -0.00951 -0.06888 90  ASN   A CB  
597  C CG  . ASN   A 93  ? 0.30857 0.31961 0.29996 -0.04060 -0.00545 -0.06958 90  ASN   A CG  
598  O OD1 . ASN   A 93  ? 0.35226 0.37003 0.34472 -0.04768 -0.00149 -0.05975 90  ASN   A OD1 
599  N ND2 . ASN   A 93  ? 0.37889 0.39433 0.35801 -0.03457 -0.00687 -0.08106 90  ASN   A ND2 
600  N N   . GLY   A 94  ? 0.27801 0.25385 0.30172 -0.03271 -0.01115 -0.05631 91  GLY   A N   
601  C CA  . GLY   A 94  ? 0.29831 0.25571 0.33013 -0.03275 -0.01650 -0.04998 91  GLY   A CA  
602  C C   . GLY   A 94  ? 0.30168 0.26592 0.34003 -0.03796 -0.01157 -0.03590 91  GLY   A C   
603  O O   . GLY   A 94  ? 0.31541 0.26938 0.36089 -0.04391 -0.01445 -0.02614 91  GLY   A O   
604  N N   . TYR   A 95  ? 0.26011 0.24259 0.29566 -0.03629 -0.00428 -0.03463 92  TYR   A N   
605  C CA  . TYR   A 95  ? 0.24333 0.23176 0.28156 -0.04025 0.00002  -0.02355 92  TYR   A CA  
606  C C   . TYR   A 95  ? 0.24534 0.23451 0.28570 -0.04869 0.00159  -0.01720 92  TYR   A C   
607  O O   . TYR   A 95  ? 0.25388 0.24163 0.29937 -0.05180 0.00250  -0.00716 92  TYR   A O   
608  C CB  . TYR   A 95  ? 0.24048 0.24619 0.27418 -0.03828 0.00562  -0.02536 92  TYR   A CB  
609  C CG  . TYR   A 95  ? 0.23344 0.24539 0.26792 -0.02930 0.00438  -0.03000 92  TYR   A CG  
610  C CD1 . TYR   A 95  ? 0.26279 0.26280 0.30090 -0.02244 -0.00055 -0.02716 92  TYR   A CD1 
611  C CD2 . TYR   A 95  ? 0.22923 0.26044 0.26172 -0.02778 0.00789  -0.03592 92  TYR   A CD2 
612  C CE1 . TYR   A 95  ? 0.28276 0.28990 0.32221 -0.01163 -0.00232 -0.03129 92  TYR   A CE1 
613  C CE2 . TYR   A 95  ? 0.24260 0.28524 0.27838 -0.01850 0.00678  -0.03986 92  TYR   A CE2 
614  C CZ  . TYR   A 95  ? 0.28657 0.31724 0.32565 -0.00929 0.00158  -0.03800 92  TYR   A CZ  
615  O OH  . TYR   A 95  ? 0.30991 0.35339 0.35288 0.00224  -0.00009 -0.04171 92  TYR   A OH  
616  N N   . ILE   A 96  ? 0.22503 0.21854 0.26144 -0.05159 0.00203  -0.02224 93  ILE   A N   
617  C CA  . ILE   A 96  ? 0.21825 0.21394 0.25757 -0.05755 0.00254  -0.01636 93  ILE   A CA  
618  C C   . ILE   A 96  ? 0.26522 0.25241 0.31493 -0.06210 -0.00337 -0.01119 93  ILE   A C   
619  O O   . ILE   A 96  ? 0.23760 0.23019 0.29497 -0.06597 -0.00152 -0.00141 93  ILE   A O   
620  C CB  . ILE   A 96  ? 0.23300 0.23348 0.26495 -0.05904 0.00241  -0.02204 93  ILE   A CB  
621  C CG1 . ILE   A 96  ? 0.22853 0.23745 0.25209 -0.05817 0.00864  -0.02290 93  ILE   A CG1 
622  C CG2 . ILE   A 96  ? 0.24926 0.25152 0.28591 -0.06356 0.00022  -0.01647 93  ILE   A CG2 
623  C CD1 . ILE   A 96  ? 0.26850 0.28196 0.28292 -0.06020 0.00878  -0.02670 93  ILE   A CD1 
624  N N   . GLN   A 97  ? 0.26055 0.23467 0.31090 -0.06177 -0.01079 -0.01770 94  GLN   A N   
625  C CA  . GLN   A 97  ? 0.23791 0.20055 0.29876 -0.06875 -0.01833 -0.01261 94  GLN   A CA  
626  C C   . GLN   A 97  ? 0.28905 0.25066 0.35827 -0.07095 -0.01574 0.00083  94  GLN   A C   
627  O O   . GLN   A 97  ? 0.28301 0.24952 0.36345 -0.07906 -0.01631 0.01171  94  GLN   A O   
628  C CB  . GLN   A 97  ? 0.29275 0.23547 0.34992 -0.06651 -0.02777 -0.02367 94  GLN   A CB  
629  C CG  . GLN   A 97  ? 0.34079 0.28504 0.38974 -0.06641 -0.03205 -0.03572 94  GLN   A CG  
630  C CD  . GLN   A 97  ? 0.47491 0.39729 0.51846 -0.06332 -0.04240 -0.04836 94  GLN   A CD  
631  O OE1 . GLN   A 97  ? 0.51190 0.42244 0.55149 -0.05427 -0.04286 -0.05357 94  GLN   A OE1 
632  N NE2 . GLN   A 97  ? 0.55263 0.46873 0.59573 -0.07005 -0.05181 -0.05384 94  GLN   A NE2 
633  N N   . LYS   A 98  ? 0.25974 0.21770 0.32387 -0.06368 -0.01297 0.00104  95  LYS   A N   
634  C CA  . LYS   A 98  ? 0.27538 0.23171 0.34446 -0.06492 -0.01111 0.01448  95  LYS   A CA  
635  C C   . LYS   A 98  ? 0.23652 0.21321 0.30642 -0.06632 -0.00195 0.02383  95  LYS   A C   
636  O O   . LYS   A 98  ? 0.25914 0.24046 0.33599 -0.07092 0.00019  0.03733  95  LYS   A O   
637  C CB  . LYS   A 98  ? 0.33041 0.27934 0.39264 -0.05511 -0.01163 0.01179  95  LYS   A CB  
638  C CG  . LYS   A 98  ? 0.41211 0.33738 0.47406 -0.05124 -0.02121 0.00419  95  LYS   A CG  
639  C CD  . LYS   A 98  ? 0.53692 0.45502 0.59513 -0.04079 -0.02242 0.00636  95  LYS   A CD  
640  C CE  . LYS   A 98  ? 0.59377 0.48272 0.65191 -0.03558 -0.03304 0.00058  95  LYS   A CE  
641  N NZ  . LYS   A 98  ? 0.75902 0.64023 0.81425 -0.02364 -0.03518 0.00446  95  LYS   A NZ  
642  N N   . ILE   A 99  ? 0.21829 0.20687 0.28036 -0.06213 0.00354  0.01711  96  ILE   A N   
643  C CA  . ILE   A 99  ? 0.20748 0.21162 0.26820 -0.06149 0.01132  0.02347  96  ILE   A CA  
644  C C   . ILE   A 99  ? 0.23966 0.25248 0.31165 -0.06756 0.01137  0.03005  96  ILE   A C   
645  O O   . ILE   A 99  ? 0.24598 0.27159 0.32354 -0.06839 0.01653  0.04091  96  ILE   A O   
646  C CB  . ILE   A 99  ? 0.22380 0.23289 0.27297 -0.05665 0.01518  0.01427  96  ILE   A CB  
647  C CG1 . ILE   A 99  ? 0.24181 0.24899 0.28292 -0.05166 0.01529  0.00987  96  ILE   A CG1 
648  C CG2 . ILE   A 99  ? 0.25681 0.27671 0.30278 -0.05449 0.02175  0.01823  96  ILE   A CG2 
649  C CD1 . ILE   A 99  ? 0.24529 0.25602 0.27784 -0.05036 0.01662  -0.00005 96  ILE   A CD1 
650  N N   . LYS   A 100 ? 0.23919 0.24814 0.31502 -0.07150 0.00547  0.02395  97  LYS   A N   
651  C CA  . LYS   A 100 ? 0.23498 0.25577 0.32301 -0.07710 0.00413  0.02988  97  LYS   A CA  
652  C C   . LYS   A 100 ? 0.23197 0.25366 0.33578 -0.08661 0.00028  0.04139  97  LYS   A C   
653  O O   . LYS   A 100 ? 0.25163 0.29196 0.36849 -0.09083 0.00261  0.05127  97  LYS   A O   
654  C CB  . LYS   A 100 ? 0.21388 0.23099 0.30014 -0.07901 -0.00268 0.02034  97  LYS   A CB  
655  C CG  . LYS   A 100 ? 0.23905 0.26047 0.31325 -0.07226 0.00160  0.01416  97  LYS   A CG  
656  C CD  . LYS   A 100 ? 0.26772 0.29157 0.34260 -0.07487 -0.00486 0.00998  97  LYS   A CD  
657  C CE  . LYS   A 100 ? 0.27120 0.29767 0.33405 -0.06891 -0.00093 0.00694  97  LYS   A CE  
658  N NZ  . LYS   A 100 ? 0.28818 0.31910 0.35061 -0.07046 -0.00741 0.00525  97  LYS   A NZ  
659  N N   . SER   A 101 ? 0.23768 0.23993 0.34145 -0.09018 -0.00595 0.04099  98  SER   A N   
660  C CA  . SER   A 101 ? 0.25090 0.24916 0.36875 -0.10104 -0.01040 0.05383  98  SER   A CA  
661  C C   . SER   A 101 ? 0.23249 0.24203 0.35161 -0.09989 -0.00157 0.06901  98  SER   A C   
662  O O   . SER   A 101 ? 0.30161 0.31505 0.43396 -0.11024 -0.00276 0.08392  98  SER   A O   
663  C CB  . SER   A 101 ? 0.28358 0.25124 0.39859 -0.10376 -0.02133 0.04772  98  SER   A CB  
664  O OG  . SER   A 101 ? 0.30102 0.25766 0.40408 -0.09401 -0.01826 0.04618  98  SER   A OG  
665  N N   . GLY   A 102 ? 0.25771 0.27310 0.36276 -0.08845 0.00676  0.06594  99  GLY   A N   
666  C CA  . GLY   A 102 ? 0.25015 0.27543 0.35195 -0.08582 0.01443  0.07876  99  GLY   A CA  
667  C C   . GLY   A 102 ? 0.29132 0.29652 0.38800 -0.08572 0.00989  0.08358  99  GLY   A C   
668  O O   . GLY   A 102 ? 0.33471 0.34744 0.42740 -0.08409 0.01529  0.09620  99  GLY   A O   
669  N N   . GLU   A 103 ? 0.27899 0.25910 0.37447 -0.08601 -0.00004 0.07398  100 GLU   A N   
670  C CA  . GLU   A 103 ? 0.29784 0.25641 0.38762 -0.08251 -0.00536 0.07709  100 GLU   A CA  
671  C C   . GLU   A 103 ? 0.30434 0.27006 0.37916 -0.06954 0.00009  0.07327  100 GLU   A C   
672  O O   . GLU   A 103 ? 0.33444 0.29329 0.40423 -0.06595 -0.00102 0.08247  100 GLU   A O   
673  C CB  . GLU   A 103 ? 0.35207 0.28317 0.44184 -0.08171 -0.01683 0.06385  100 GLU   A CB  
674  C CG  . GLU   A 103 ? 0.51638 0.43245 0.61908 -0.09535 -0.02631 0.06630  100 GLU   A CG  
675  C CD  . GLU   A 103 ? 0.62668 0.51661 0.72433 -0.09121 -0.03722 0.04809  100 GLU   A CD  
676  O OE1 . GLU   A 103 ? 0.71259 0.57416 0.80694 -0.08770 -0.04529 0.04767  100 GLU   A OE1 
677  O OE2 . GLU   A 103 ? 0.57103 0.46882 0.66633 -0.08988 -0.03758 0.03411  100 GLU   A OE2 
678  N N   . GLU   A 104 ? 0.27308 0.25122 0.34058 -0.06312 0.00460  0.06013  101 GLU   A N   
679  C CA  . GLU   A 104 ? 0.31225 0.30002 0.36670 -0.05337 0.00904  0.05574  101 GLU   A CA  
680  C C   . GLU   A 104 ? 0.34525 0.35201 0.39522 -0.05261 0.01714  0.05212  101 GLU   A C   
681  O O   . GLU   A 104 ? 0.31867 0.32938 0.37520 -0.05705 0.01820  0.04925  101 GLU   A O   
682  C CB  . GLU   A 104 ? 0.36373 0.34333 0.41329 -0.04605 0.00419  0.04091  101 GLU   A CB  
683  C CG  . GLU   A 104 ? 0.43882 0.39639 0.49229 -0.04373 -0.00477 0.04041  101 GLU   A CG  
684  C CD  . GLU   A 104 ? 0.55227 0.50517 0.60092 -0.03678 -0.00706 0.04957  101 GLU   A CD  
685  O OE1 . GLU   A 104 ? 0.54334 0.51295 0.58410 -0.03315 -0.00197 0.05329  101 GLU   A OE1 
686  O OE2 . GLU   A 104 ? 0.67901 0.60995 0.73055 -0.03446 -0.01489 0.05280  101 GLU   A OE2 
687  N N   . ASP   A 105 ? 0.28097 0.29828 0.31885 -0.04629 0.02183  0.05160  102 ASP   A N   
688  C CA  . ASP   A 105 ? 0.29938 0.32776 0.33087 -0.04422 0.02754  0.04439  102 ASP   A CA  
689  C C   . ASP   A 105 ? 0.27855 0.30389 0.30184 -0.04099 0.02508  0.03027  102 ASP   A C   
690  O O   . ASP   A 105 ? 0.27672 0.29811 0.29839 -0.03844 0.02049  0.02681  102 ASP   A O   
691  C CB  . ASP   A 105 ? 0.40204 0.44492 0.42426 -0.03996 0.03497  0.05152  102 ASP   A CB  
692  C CG  . ASP   A 105 ? 0.47089 0.51553 0.48090 -0.03482 0.03400  0.05463  102 ASP   A CG  
693  O OD1 . ASP   A 105 ? 0.53911 0.58186 0.53971 -0.03115 0.03092  0.04387  102 ASP   A OD1 
694  O OD2 . ASP   A 105 ? 0.60981 0.65971 0.61965 -0.03508 0.03617  0.06898  102 ASP   A OD2 
695  N N   . PHE   A 106 ? 0.24505 0.27309 0.26447 -0.04128 0.02796  0.02302  103 PHE   A N   
696  C CA  . PHE   A 106 ? 0.21907 0.24447 0.23249 -0.04150 0.02580  0.01133  103 PHE   A CA  
697  C C   . PHE   A 106 ? 0.25998 0.28976 0.26388 -0.03825 0.02411  0.00834  103 PHE   A C   
698  O O   . PHE   A 106 ? 0.24419 0.27533 0.24951 -0.03867 0.02016  0.00252  103 PHE   A O   
699  C CB  . PHE   A 106 ? 0.25911 0.28361 0.26757 -0.04207 0.02900  0.00696  103 PHE   A CB  
700  C CG  . PHE   A 106 ? 0.28726 0.30787 0.28908 -0.04471 0.02691  -0.00253 103 PHE   A CG  
701  C CD1 . PHE   A 106 ? 0.33997 0.36100 0.33043 -0.04391 0.02632  -0.00730 103 PHE   A CD1 
702  C CD2 . PHE   A 106 ? 0.34651 0.36389 0.35287 -0.04901 0.02507  -0.00622 103 PHE   A CD2 
703  C CE1 . PHE   A 106 ? 0.36729 0.38537 0.35357 -0.04925 0.02373  -0.01452 103 PHE   A CE1 
704  C CE2 . PHE   A 106 ? 0.39375 0.40986 0.39454 -0.05319 0.02384  -0.01257 103 PHE   A CE2 
705  C CZ  . PHE   A 106 ? 0.33321 0.34961 0.32517 -0.05416 0.02309  -0.01614 103 PHE   A CZ  
706  N N   . GLU   A 107 ? 0.28654 0.32139 0.28053 -0.03445 0.02697  0.01207  104 GLU   A N   
707  C CA  . GLU   A 107 ? 0.28530 0.32530 0.26797 -0.03174 0.02406  0.00804  104 GLU   A CA  
708  C C   . GLU   A 107 ? 0.26868 0.31202 0.25639 -0.02933 0.01904  0.01223  104 GLU   A C   
709  O O   . GLU   A 107 ? 0.29442 0.34393 0.27998 -0.02863 0.01422  0.00631  104 GLU   A O   
710  C CB  . GLU   A 107 ? 0.30064 0.34565 0.26903 -0.02659 0.02810  0.01112  104 GLU   A CB  
711  C CG  . GLU   A 107 ? 0.34979 0.39020 0.31040 -0.02552 0.03216  0.00459  104 GLU   A CG  
712  C CD  . GLU   A 107 ? 0.48922 0.53265 0.45752 -0.02341 0.03897  0.01252  104 GLU   A CD  
713  O OE1 . GLU   A 107 ? 0.38210 0.42694 0.36580 -0.02729 0.03895  0.02083  104 GLU   A OE1 
714  O OE2 . GLU   A 107 ? 0.46942 0.51426 0.42844 -0.01748 0.04375  0.00986  104 GLU   A OE2 
715  N N   . SER   A 108 ? 0.28124 0.32070 0.27623 -0.02802 0.01937  0.02300  105 SER   A N   
716  C CA  . SER   A 108 ? 0.31286 0.35059 0.31185 -0.02389 0.01373  0.02786  105 SER   A CA  
717  C C   . SER   A 108 ? 0.31568 0.35048 0.32426 -0.02353 0.00925  0.01863  105 SER   A C   
718  O O   . SER   A 108 ? 0.28342 0.32408 0.29286 -0.01802 0.00431  0.01620  105 SER   A O   
719  C CB  . SER   A 108 ? 0.41550 0.44482 0.41995 -0.02449 0.01439  0.04240  105 SER   A CB  
720  O OG  . SER   A 108 ? 0.45364 0.47274 0.46454 -0.02072 0.00761  0.04540  105 SER   A OG  
721  N N   . LEU   A 109 ? 0.27168 0.30001 0.28720 -0.02824 0.01094  0.01352  106 LEU   A N   
722  C CA  . LEU   A 109 ? 0.24800 0.27669 0.27005 -0.02697 0.00795  0.00404  106 LEU   A CA  
723  C C   . LEU   A 109 ? 0.23361 0.27734 0.25214 -0.02863 0.00837  -0.00482 106 LEU   A C   
724  O O   . LEU   A 109 ? 0.29640 0.35005 0.31975 -0.02489 0.00558  -0.01031 106 LEU   A O   
725  C CB  . LEU   A 109 ? 0.25611 0.27519 0.28372 -0.03172 0.00911  0.00094  106 LEU   A CB  
726  C CG  . LEU   A 109 ? 0.23174 0.23542 0.26550 -0.03247 0.00652  0.00887  106 LEU   A CG  
727  C CD1 . LEU   A 109 ? 0.25045 0.24710 0.28903 -0.03788 0.00604  0.00417  106 LEU   A CD1 
728  C CD2 . LEU   A 109 ? 0.28258 0.27692 0.31934 -0.02491 0.00033  0.00967  106 LEU   A CD2 
729  N N   . ALA   A 110 ? 0.22903 0.27490 0.23978 -0.03427 0.01153  -0.00635 107 ALA   A N   
730  C CA  . ALA   A 110 ? 0.22447 0.28156 0.23234 -0.03869 0.01048  -0.01400 107 ALA   A CA  
731  C C   . ALA   A 110 ? 0.26500 0.33579 0.27148 -0.03457 0.00559  -0.01400 107 ALA   A C   
732  O O   . ALA   A 110 ? 0.25112 0.33746 0.26358 -0.03569 0.00276  -0.01919 107 ALA   A O   
733  C CB  . ALA   A 110 ? 0.24699 0.29729 0.24491 -0.04483 0.01323  -0.01608 107 ALA   A CB  
734  N N   . SER   A 111 ? 0.23369 0.30186 0.23310 -0.02939 0.00448  -0.00713 108 SER   A N   
735  C CA  . SER   A 111 ? 0.23106 0.31260 0.22711 -0.02444 -0.00132 -0.00594 108 SER   A CA  
736  C C   . SER   A 111 ? 0.28497 0.37500 0.29321 -0.01671 -0.00559 -0.00522 108 SER   A C   
737  O O   . SER   A 111 ? 0.29712 0.40569 0.30826 -0.01390 -0.01099 -0.00798 108 SER   A O   
738  C CB  . SER   A 111 ? 0.29445 0.37114 0.27874 -0.01950 -0.00085 0.00341  108 SER   A CB  
739  O OG  . SER   A 111 ? 0.41565 0.48635 0.38803 -0.02369 0.00381  0.00148  108 SER   A OG  
740  N N   . GLN   A 112 ? 0.25243 0.32926 0.26793 -0.01248 -0.00409 -0.00205 109 GLN   A N   
741  C CA  . GLN   A 112 ? 0.26987 0.34980 0.29493 -0.00204 -0.00857 -0.00232 109 GLN   A CA  
742  C C   . GLN   A 112 ? 0.26983 0.36196 0.30486 -0.00210 -0.00726 -0.01289 109 GLN   A C   
743  O O   . GLN   A 112 ? 0.28049 0.38843 0.32344 0.00711  -0.01089 -0.01605 109 GLN   A O   
744  C CB  . GLN   A 112 ? 0.30013 0.35605 0.32675 0.00281  -0.00933 0.00533  109 GLN   A CB  
745  C CG  . GLN   A 112 ? 0.30233 0.34859 0.32059 0.00333  -0.01015 0.01888  109 GLN   A CG  
746  C CD  . GLN   A 112 ? 0.35825 0.37989 0.38014 0.00418  -0.01127 0.02751  109 GLN   A CD  
747  O OE1 . GLN   A 112 ? 0.40150 0.41347 0.42243 -0.00433 -0.00689 0.03287  109 GLN   A OE1 
748  N NE2 . GLN   A 112 ? 0.31821 0.32939 0.34502 0.01449  -0.01784 0.02889  109 GLN   A NE2 
749  N N   . PHE   A 113 ? 0.23761 0.32500 0.27224 -0.01118 -0.00197 -0.01774 110 PHE   A N   
750  C CA  . PHE   A 113 ? 0.23140 0.32699 0.27345 -0.00976 0.00017  -0.02595 110 PHE   A CA  
751  C C   . PHE   A 113 ? 0.26994 0.38030 0.31193 -0.02143 0.00445  -0.03105 110 PHE   A C   
752  O O   . PHE   A 113 ? 0.28621 0.40906 0.33366 -0.02037 0.00707  -0.03682 110 PHE   A O   
753  C CB  . PHE   A 113 ? 0.28943 0.36192 0.33098 -0.00763 0.00118  -0.02655 110 PHE   A CB  
754  C CG  . PHE   A 113 ? 0.26080 0.31406 0.30306 0.00182  -0.00395 -0.02074 110 PHE   A CG  
755  C CD1 . PHE   A 113 ? 0.29576 0.35401 0.34285 0.01566  -0.00890 -0.02203 110 PHE   A CD1 
756  C CD2 . PHE   A 113 ? 0.28272 0.31328 0.32167 -0.00317 -0.00417 -0.01303 110 PHE   A CD2 
757  C CE1 . PHE   A 113 ? 0.33642 0.37208 0.38305 0.02421  -0.01475 -0.01526 110 PHE   A CE1 
758  C CE2 . PHE   A 113 ? 0.30611 0.31719 0.34605 0.00299  -0.00941 -0.00557 110 PHE   A CE2 
759  C CZ  . PHE   A 113 ? 0.34331 0.35415 0.38612 0.01663  -0.01509 -0.00652 110 PHE   A CZ  
760  N N   . SER   A 114 ? 0.23858 0.34711 0.27354 -0.03202 0.00512  -0.02905 111 SER   A N   
761  C CA  . SER   A 114 ? 0.23024 0.34796 0.26466 -0.04417 0.00800  -0.03258 111 SER   A CA  
762  C C   . SER   A 114 ? 0.23575 0.38429 0.27983 -0.04583 0.00597  -0.03566 111 SER   A C   
763  O O   . SER   A 114 ? 0.23339 0.39369 0.27943 -0.04321 0.00071  -0.03479 111 SER   A O   
764  C CB  . SER   A 114 ? 0.23912 0.34277 0.26234 -0.05364 0.00781  -0.03079 111 SER   A CB  
765  O OG  . SER   A 114 ? 0.22966 0.33628 0.25145 -0.06611 0.00951  -0.03305 111 SER   A OG  
766  N N   . ASP   A 115 ? 0.21094 0.37547 0.26121 -0.05038 0.01012  -0.03854 112 ASP   A N   
767  C CA  . ASP   A 115 ? 0.20672 0.40711 0.26923 -0.05367 0.00972  -0.04037 112 ASP   A CA  
768  C C   . ASP   A 115 ? 0.24214 0.44828 0.30301 -0.07190 0.00712  -0.03873 112 ASP   A C   
769  O O   . ASP   A 115 ? 0.30431 0.52992 0.37151 -0.08371 0.00986  -0.03802 112 ASP   A O   
770  C CB  . ASP   A 115 ? 0.20764 0.42541 0.27610 -0.05176 0.01653  -0.04312 112 ASP   A CB  
771  C CG  . ASP   A 115 ? 0.20174 0.42530 0.27561 -0.03151 0.01697  -0.04777 112 ASP   A CG  
772  O OD1 . ASP   A 115 ? 0.24235 0.47924 0.32427 -0.02073 0.01217  -0.04820 112 ASP   A OD1 
773  O OD2 . ASP   A 115 ? 0.22247 0.43536 0.29135 -0.02578 0.02103  -0.05133 112 ASP   A OD2 
774  N N   . CYS   A 116 ? 0.26545 0.45529 0.31731 -0.07447 0.00142  -0.03804 113 CYS   A N   
775  C CA  . CYS   A 116 ? 0.25469 0.43802 0.29990 -0.09120 -0.00240 -0.03837 113 CYS   A CA  
776  C C   . CYS   A 116 ? 0.29890 0.47983 0.33763 -0.08858 -0.01059 -0.03995 113 CYS   A C   
777  O O   . CYS   A 116 ? 0.28559 0.45654 0.31880 -0.07493 -0.01117 -0.03855 113 CYS   A O   
778  C CB  . CYS   A 116 ? 0.31322 0.46319 0.34468 -0.09691 0.00147  -0.03721 113 CYS   A CB  
779  S SG  . CYS   A 116 ? 0.39704 0.53026 0.41783 -0.11544 -0.00383 -0.03854 113 CYS   A SG  
780  N N   . SER   A 117 ? 0.27114 0.46171 0.30998 -0.10252 -0.01755 -0.04239 114 SER   A N   
781  C CA  . SER   A 117 ? 0.33565 0.52465 0.36533 -0.10061 -0.02660 -0.04527 114 SER   A CA  
782  C C   . SER   A 117 ? 0.35031 0.50331 0.35838 -0.09503 -0.02546 -0.04638 114 SER   A C   
783  O O   . SER   A 117 ? 0.33414 0.48528 0.33205 -0.08679 -0.03013 -0.04711 114 SER   A O   
784  C CB  . SER   A 117 ? 0.43187 0.63414 0.46424 -0.11922 -0.03579 -0.04914 114 SER   A CB  
785  O OG  . SER   A 117 ? 0.53106 0.70762 0.55441 -0.13473 -0.03484 -0.05058 114 SER   A OG  
786  N N   . SER   A 118 ? 0.29968 0.42694 0.30057 -0.09824 -0.01908 -0.04581 115 SER   A N   
787  C CA  . SER   A 118 ? 0.27346 0.37088 0.25628 -0.09143 -0.01664 -0.04650 115 SER   A CA  
788  C C   . SER   A 118 ? 0.28284 0.37984 0.26561 -0.07499 -0.01206 -0.04103 115 SER   A C   
789  O O   . SER   A 118 ? 0.27962 0.35932 0.24888 -0.06836 -0.00976 -0.04014 115 SER   A O   
790  C CB  . SER   A 118 ? 0.31104 0.38495 0.28943 -0.09766 -0.01137 -0.04609 115 SER   A CB  
791  O OG  . SER   A 118 ? 0.35375 0.43548 0.34476 -0.09544 -0.00460 -0.04114 115 SER   A OG  
792  N N   . ALA   A 119 ? 0.23791 0.35325 0.23532 -0.06816 -0.01078 -0.03711 116 ALA   A N   
793  C CA  . ALA   A 119 ? 0.26287 0.37471 0.26017 -0.05407 -0.00854 -0.03101 116 ALA   A CA  
794  C C   . ALA   A 119 ? 0.30182 0.41316 0.28576 -0.04827 -0.01312 -0.02929 116 ALA   A C   
795  O O   . ALA   A 119 ? 0.27833 0.37772 0.25431 -0.04042 -0.00968 -0.02333 116 ALA   A O   
796  C CB  . ALA   A 119 ? 0.23435 0.36516 0.24798 -0.04669 -0.00922 -0.02907 116 ALA   A CB  
797  N N   . LYS   A 120 ? 0.27141 0.39785 0.25260 -0.05272 -0.02117 -0.03391 117 LYS   A N   
798  C CA  . LYS   A 120 ? 0.23921 0.36711 0.20467 -0.04702 -0.02659 -0.03318 117 LYS   A CA  
799  C C   . LYS   A 120 ? 0.26106 0.36648 0.20565 -0.04716 -0.02310 -0.03587 117 LYS   A C   
800  O O   . LYS   A 120 ? 0.28786 0.39260 0.21710 -0.03902 -0.02396 -0.03293 117 LYS   A O   
801  C CB  . LYS   A 120 ? 0.30268 0.45200 0.26937 -0.05383 -0.03762 -0.03938 117 LYS   A CB  
802  C CG  . LYS   A 120 ? 0.41181 0.59015 0.39847 -0.04897 -0.04176 -0.03573 117 LYS   A CG  
803  C CD  . LYS   A 120 ? 0.43865 0.64151 0.42385 -0.05187 -0.05435 -0.03943 117 LYS   A CD  
804  C CE  . LYS   A 120 ? 0.52655 0.76001 0.53039 -0.04117 -0.05881 -0.03397 117 LYS   A CE  
805  N NZ  . LYS   A 120 ? 0.48377 0.73050 0.51103 -0.04183 -0.05281 -0.03383 117 LYS   A NZ  
806  N N   . ALA   A 121 ? 0.27101 0.35925 0.21391 -0.05499 -0.01911 -0.04098 118 ALA   A N   
807  C CA  . ALA   A 121 ? 0.29535 0.36188 0.22023 -0.05246 -0.01492 -0.04414 118 ALA   A CA  
808  C C   . ALA   A 121 ? 0.31370 0.36963 0.24435 -0.04665 -0.00458 -0.03668 118 ALA   A C   
809  O O   . ALA   A 121 ? 0.30847 0.34752 0.23083 -0.04607 -0.00019 -0.03953 118 ALA   A O   
810  C CB  . ALA   A 121 ? 0.30105 0.35214 0.21844 -0.06403 -0.01929 -0.05488 118 ALA   A CB  
811  N N   A ARG   A 122 ? 0.25752 0.32252 0.20235 -0.04200 -0.00162 -0.02755 119 ARG   A N   
812  N N   B ARG   A 122 ? 0.25722 0.32230 0.20213 -0.04207 -0.00167 -0.02760 119 ARG   A N   
813  C CA  A ARG   A 122 ? 0.29704 0.35346 0.24961 -0.03854 0.00622  -0.02037 119 ARG   A CA  
814  C CA  B ARG   A 122 ? 0.28313 0.33972 0.23581 -0.03856 0.00615  -0.02038 119 ARG   A CA  
815  C C   A ARG   A 122 ? 0.27755 0.32299 0.23588 -0.04569 0.00891  -0.02472 119 ARG   A C   
816  C C   B ARG   A 122 ? 0.28283 0.32821 0.24095 -0.04567 0.00889  -0.02478 119 ARG   A C   
817  O O   A ARG   A 122 ? 0.30322 0.33895 0.26256 -0.04357 0.01455  -0.02153 119 ARG   A O   
818  O O   B ARG   A 122 ? 0.30245 0.33798 0.26119 -0.04349 0.01453  -0.02168 119 ARG   A O   
819  C CB  A ARG   A 122 ? 0.31098 0.36272 0.25167 -0.03082 0.01180  -0.01481 119 ARG   A CB  
820  C CB  B ARG   A 122 ? 0.31455 0.36684 0.25543 -0.03070 0.01162  -0.01456 119 ARG   A CB  
821  C CG  A ARG   A 122 ? 0.36529 0.42816 0.29818 -0.02369 0.00993  -0.00758 119 ARG   A CG  
822  C CG  B ARG   A 122 ? 0.36445 0.42822 0.29829 -0.02372 0.00939  -0.00724 119 ARG   A CG  
823  C CD  A ARG   A 122 ? 0.39924 0.46169 0.31580 -0.01665 0.01608  -0.00390 119 ARG   A CD  
824  C CD  B ARG   A 122 ? 0.40246 0.46660 0.31881 -0.01659 0.01480  -0.00366 119 ARG   A CD  
825  N NE  A ARG   A 122 ? 0.41038 0.46356 0.31214 -0.01684 0.01631  -0.01633 119 ARG   A NE  
826  N NE  B ARG   A 122 ? 0.45655 0.51865 0.38078 -0.01432 0.02357  0.00657  119 ARG   A NE  
827  C CZ  A ARG   A 122 ? 0.44577 0.49776 0.33178 -0.01801 0.00912  -0.02730 119 ARG   A CZ  
828  C CZ  B ARG   A 122 ? 0.49009 0.55981 0.41472 -0.01013 0.02753  0.02073  119 ARG   A CZ  
829  N NH1 A ARG   A 122 ? 0.31728 0.38139 0.20088 -0.01889 0.00128  -0.02702 119 ARG   A NH1 
830  N NH1 B ARG   A 122 ? 0.47598 0.55438 0.39113 -0.00598 0.02388  0.02703  119 ARG   A NH1 
831  N NH2 A ARG   A 122 ? 0.52934 0.56666 0.40153 -0.01804 0.00869  -0.03911 119 ARG   A NH2 
832  N NH2 B ARG   A 122 ? 0.42058 0.49009 0.35576 -0.01092 0.03471  0.02990  119 ARG   A NH2 
833  N N   . GLY   A 123 ? 0.27100 0.32011 0.23361 -0.05463 0.00464  -0.03086 120 GLY   A N   
834  C CA  . GLY   A 123 ? 0.28533 0.32549 0.25255 -0.06241 0.00671  -0.03305 120 GLY   A CA  
835  C C   . GLY   A 123 ? 0.29187 0.31342 0.24562 -0.06755 0.00540  -0.03880 120 GLY   A C   
836  O O   . GLY   A 123 ? 0.32237 0.33492 0.27845 -0.07519 0.00592  -0.03946 120 GLY   A O   
837  N N   . ASP   A 124 ? 0.30905 0.32330 0.24715 -0.06304 0.00322  -0.04311 121 ASP   A N   
838  C CA  . ASP   A 124 ? 0.33550 0.32682 0.25823 -0.06478 0.00150  -0.05014 121 ASP   A CA  
839  C C   . ASP   A 124 ? 0.37682 0.36158 0.29908 -0.08003 -0.00616 -0.05587 121 ASP   A C   
840  O O   . ASP   A 124 ? 0.38114 0.38010 0.30568 -0.08697 -0.01278 -0.05887 121 ASP   A O   
841  C CB  . ASP   A 124 ? 0.36475 0.35208 0.26851 -0.05495 0.00050  -0.05532 121 ASP   A CB  
842  C CG  . ASP   A 124 ? 0.45660 0.41711 0.34156 -0.05379 -0.00219 -0.06517 121 ASP   A CG  
843  O OD1 . ASP   A 124 ? 0.39250 0.33629 0.27901 -0.05321 0.00101  -0.06402 121 ASP   A OD1 
844  O OD2 . ASP   A 124 ? 0.45075 0.40578 0.31793 -0.05219 -0.00822 -0.07448 121 ASP   A OD2 
845  N N   . LEU   A 125 ? 0.36293 0.32673 0.28256 -0.08570 -0.00585 -0.05633 122 LEU   A N   
846  C CA  . LEU   A 125 ? 0.37763 0.32970 0.29516 -0.10210 -0.01323 -0.05993 122 LEU   A CA  
847  C C   . LEU   A 125 ? 0.38855 0.30847 0.28463 -0.10224 -0.01984 -0.06973 122 LEU   A C   
848  O O   . LEU   A 125 ? 0.46049 0.36635 0.35295 -0.11768 -0.02820 -0.07340 122 LEU   A O   
849  C CB  . LEU   A 125 ? 0.39198 0.33963 0.31922 -0.10987 -0.00956 -0.05230 122 LEU   A CB  
850  C CG  . LEU   A 125 ? 0.35852 0.33638 0.30486 -0.11003 -0.00395 -0.04497 122 LEU   A CG  
851  C CD1 . LEU   A 125 ? 0.44210 0.41487 0.39345 -0.11536 0.00008  -0.03803 122 LEU   A CD1 
852  C CD2 . LEU   A 125 ? 0.40733 0.41150 0.36419 -0.12003 -0.00857 -0.04622 122 LEU   A CD2 
853  N N   . GLY   A 126 ? 0.40595 0.31391 0.28759 -0.08560 -0.01652 -0.07412 123 GLY   A N   
854  C CA  . GLY   A 126 ? 0.43100 0.30513 0.29037 -0.08180 -0.02197 -0.08483 123 GLY   A CA  
855  C C   . GLY   A 126 ? 0.45205 0.29837 0.30963 -0.08113 -0.02024 -0.08161 123 GLY   A C   
856  O O   . GLY   A 126 ? 0.43996 0.29578 0.31266 -0.08241 -0.01407 -0.07081 123 GLY   A O   
857  N N   . ALA   A 127 ? 0.49178 0.30176 0.32895 -0.07812 -0.02673 -0.09167 124 ALA   A N   
858  C CA  . ALA   A 127 ? 0.53621 0.31423 0.36833 -0.07519 -0.02687 -0.08914 124 ALA   A CA  
859  C C   . ALA   A 127 ? 0.54861 0.30831 0.38446 -0.09854 -0.03535 -0.08477 124 ALA   A C   
860  O O   . ALA   A 127 ? 0.56396 0.32421 0.39905 -0.11565 -0.04411 -0.08927 124 ALA   A O   
861  C CB  . ALA   A 127 ? 0.59151 0.33564 0.39854 -0.05790 -0.02999 -0.10243 124 ALA   A CB  
862  N N   . PHE   A 128 ? 0.52429 0.26982 0.36461 -0.09976 -0.03295 -0.07478 125 PHE   A N   
863  C CA  . PHE   A 128 ? 0.60483 0.33197 0.44749 -0.12188 -0.03987 -0.06751 125 PHE   A CA  
864  C C   . PHE   A 128 ? 0.57247 0.26740 0.40797 -0.11462 -0.03952 -0.06057 125 PHE   A C   
865  O O   . PHE   A 128 ? 0.60492 0.30560 0.44174 -0.09464 -0.03198 -0.05818 125 PHE   A O   
866  C CB  . PHE   A 128 ? 0.50712 0.27442 0.37239 -0.13856 -0.03535 -0.05579 125 PHE   A CB  
867  C CG  . PHE   A 128 ? 0.46954 0.26640 0.34885 -0.12663 -0.02369 -0.04678 125 PHE   A CG  
868  C CD1 . PHE   A 128 ? 0.46824 0.29773 0.35644 -0.11512 -0.01718 -0.04953 125 PHE   A CD1 
869  C CD2 . PHE   A 128 ? 0.49785 0.28825 0.38034 -0.12755 -0.02040 -0.03527 125 PHE   A CD2 
870  C CE1 . PHE   A 128 ? 0.49605 0.34915 0.39699 -0.10584 -0.00816 -0.04185 125 PHE   A CE1 
871  C CE2 . PHE   A 128 ? 0.45915 0.27592 0.35355 -0.11741 -0.01143 -0.02843 125 PHE   A CE2 
872  C CZ  . PHE   A 128 ? 0.43968 0.28652 0.34361 -0.10712 -0.00568 -0.03227 125 PHE   A CZ  
873  N N   . SER   A 129 ? 0.65180 0.32083 0.48453 -0.12817 -0.04745 -0.05549 126 SER   A N   
874  C CA  . SER   A 129 ? 0.66489 0.30416 0.49180 -0.12321 -0.04845 -0.04611 126 SER   A CA  
875  C C   . SER   A 129 ? 0.63738 0.29856 0.48022 -0.14031 -0.04492 -0.02785 126 SER   A C   
876  O O   . SER   A 129 ? 0.57925 0.27803 0.43790 -0.15450 -0.04164 -0.02376 126 SER   A O   
877  C CB  . SER   A 129 ? 0.73734 0.33560 0.55122 -0.12157 -0.05888 -0.05206 126 SER   A CB  
878  O OG  . SER   A 129 ? 0.77443 0.38159 0.59681 -0.14255 -0.06514 -0.05158 126 SER   A OG  
879  N N   . ARG   A 130 ? 0.66268 0.30205 0.50057 -0.13677 -0.04536 -0.01679 127 ARG   A N   
880  C CA  . ARG   A 130 ? 0.65329 0.31222 0.50258 -0.15201 -0.04225 0.00066  127 ARG   A CA  
881  C C   . ARG   A 130 ? 0.65321 0.31680 0.50966 -0.17237 -0.04757 0.00423  127 ARG   A C   
882  O O   . ARG   A 130 ? 0.66018 0.29599 0.50896 -0.17433 -0.05623 -0.00379 127 ARG   A O   
883  C CB  . ARG   A 130 ? 0.62334 0.25515 0.46321 -0.14371 -0.04328 0.01231  127 ARG   A CB  
884  C CG  . ARG   A 130 ? 0.61234 0.25105 0.45020 -0.12748 -0.03676 0.01386  127 ARG   A CG  
885  C CD  . ARG   A 130 ? 0.65917 0.28669 0.49266 -0.12484 -0.03717 0.03049  127 ARG   A CD  
886  N NE  . ARG   A 130 ? 0.62908 0.28123 0.46926 -0.10512 -0.03055 0.03195  127 ARG   A NE  
887  C CZ  . ARG   A 130 ? 0.60761 0.30224 0.46071 -0.10857 -0.02316 0.03829  127 ARG   A CZ  
888  N NH1 . ARG   A 130 ? 0.48333 0.20226 0.34338 -0.12922 -0.01989 0.04327  127 ARG   A NH1 
889  N NH2 . ARG   A 130 ? 0.56557 0.27949 0.42489 -0.09051 -0.01940 0.03918  127 ARG   A NH2 
890  N N   . GLY   A 131 ? 0.61349 0.31392 0.48470 -0.18699 -0.04220 0.01564  128 GLY   A N   
891  C CA  . GLY   A 131 ? 0.63872 0.34915 0.51877 -0.20669 -0.04601 0.02068  128 GLY   A CA  
892  C C   . GLY   A 131 ? 0.67130 0.41522 0.56454 -0.21427 -0.04588 0.01197  128 GLY   A C   
893  O O   . GLY   A 131 ? 0.75379 0.50531 0.65484 -0.23058 -0.05025 0.01491  128 GLY   A O   
894  N N   . GLN   A 132 ? 0.59415 0.35843 0.49029 -0.20323 -0.04142 0.00202  129 GLN   A N   
895  C CA  . GLN   A 132 ? 0.58647 0.38143 0.49391 -0.20816 -0.04226 -0.00643 129 GLN   A CA  
896  C C   . GLN   A 132 ? 0.61332 0.45737 0.53657 -0.20718 -0.03248 -0.00271 129 GLN   A C   
897  O O   . GLN   A 132 ? 0.60434 0.48091 0.54161 -0.21622 -0.03253 -0.00263 129 GLN   A O   
898  C CB  . GLN   A 132 ? 0.59569 0.37112 0.49099 -0.19574 -0.04730 -0.02355 129 GLN   A CB  
899  C CG  . GLN   A 132 ? 0.64142 0.36792 0.51974 -0.19422 -0.05769 -0.03060 129 GLN   A CG  
900  C CD  . GLN   A 132 ? 0.70505 0.41687 0.57013 -0.18223 -0.06301 -0.04913 129 GLN   A CD  
901  O OE1 . GLN   A 132 ? 0.66140 0.37734 0.51966 -0.16651 -0.05782 -0.05602 129 GLN   A OE1 
902  N NE2 . GLN   A 132 ? 0.74524 0.44063 0.60578 -0.18986 -0.07338 -0.05739 129 GLN   A NE2 
903  N N   . MET   A 133 ? 0.56066 0.41085 0.48231 -0.19609 -0.02458 0.00013  130 MET   A N   
904  C CA  . MET   A 133 ? 0.51138 0.40427 0.44644 -0.19270 -0.01552 0.00192  130 MET   A CA  
905  C C   . MET   A 133 ? 0.48551 0.39501 0.42508 -0.19745 -0.00913 0.01546  130 MET   A C   
906  O O   . MET   A 133 ? 0.51540 0.40034 0.44576 -0.20111 -0.01108 0.02426  130 MET   A O   
907  C CB  . MET   A 133 ? 0.44548 0.33523 0.37581 -0.17725 -0.01127 -0.00554 130 MET   A CB  
908  C CG  . MET   A 133 ? 0.52833 0.40110 0.45002 -0.17046 -0.01646 -0.01921 130 MET   A CG  
909  S SD  . MET   A 133 ? 0.54150 0.45065 0.47685 -0.17670 -0.01914 -0.02576 130 MET   A SD  
910  C CE  . MET   A 133 ? 0.62372 0.51485 0.54445 -0.16289 -0.02340 -0.04116 130 MET   A CE  
911  N N   . GLN   A 134 ? 0.46606 0.41716 0.41849 -0.19608 -0.00170 0.01665  131 GLN   A N   
912  C CA  . GLN   A 134 ? 0.48201 0.45283 0.43651 -0.19807 0.00528  0.02733  131 GLN   A CA  
913  C C   . GLN   A 134 ? 0.51488 0.46159 0.45640 -0.18997 0.00691  0.03148  131 GLN   A C   
914  O O   . GLN   A 134 ? 0.44014 0.37306 0.37727 -0.17900 0.00687  0.02441  131 GLN   A O   
915  C CB  . GLN   A 134 ? 0.46994 0.48617 0.43800 -0.19308 0.01288  0.02408  131 GLN   A CB  
916  C CG  . GLN   A 134 ? 0.51371 0.56053 0.49612 -0.20125 0.01195  0.02295  131 GLN   A CG  
917  C CD  . GLN   A 134 ? 0.55645 0.64639 0.55215 -0.19293 0.01882  0.01806  131 GLN   A CD  
918  O OE1 . GLN   A 134 ? 0.62612 0.71829 0.62193 -0.18063 0.02164  0.01086  131 GLN   A OE1 
919  N NE2 . GLN   A 134 ? 0.67305 0.79737 0.68047 -0.19937 0.02139  0.02205  131 GLN   A NE2 
920  N N   . LYS   A 135 ? 0.48298 0.42631 0.41838 -0.19568 0.00832  0.04391  132 LYS   A N   
921  C CA  . LYS   A 135 ? 0.47686 0.39188 0.39799 -0.18935 0.00734  0.04999  132 LYS   A CA  
922  C C   . LYS   A 135 ? 0.44276 0.36657 0.36294 -0.17648 0.01213  0.04520  132 LYS   A C   
923  O O   . LYS   A 135 ? 0.49593 0.39182 0.40797 -0.16591 0.00878  0.04293  132 LYS   A O   
924  C CB  . LYS   A 135 ? 0.49182 0.40905 0.40689 -0.19781 0.00866  0.06535  132 LYS   A CB  
925  C CG  . LYS   A 135 ? 0.60515 0.47796 0.50741 -0.20089 0.00085  0.07301  132 LYS   A CG  
926  C CD  . LYS   A 135 ? 0.63275 0.47560 0.52298 -0.18684 -0.00180 0.07148  132 LYS   A CD  
927  C CE  . LYS   A 135 ? 0.65474 0.44834 0.53348 -0.18555 -0.01114 0.07306  132 LYS   A CE  
928  N NZ  . LYS   A 135 ? 0.68975 0.45413 0.55547 -0.17026 -0.01396 0.07513  132 LYS   A NZ  
929  N N   . PRO   A 136 ? 0.43090 0.39241 0.35940 -0.17384 0.01935  0.04284  133 PRO   A N   
930  C CA  . PRO   A 136 ? 0.39340 0.36122 0.32274 -0.15613 0.02146  0.03611  133 PRO   A CA  
931  C C   . PRO   A 136 ? 0.36443 0.32091 0.29932 -0.14404 0.01860  0.02444  133 PRO   A C   
932  O O   . PRO   A 136 ? 0.37290 0.31908 0.30600 -0.13000 0.01731  0.02170  133 PRO   A O   
933  C CB  . PRO   A 136 ? 0.41416 0.42298 0.35180 -0.15524 0.02849  0.03303  133 PRO   A CB  
934  C CG  . PRO   A 136 ? 0.42415 0.44890 0.36169 -0.17199 0.03139  0.04281  133 PRO   A CG  
935  C CD  . PRO   A 136 ? 0.43538 0.43605 0.37425 -0.17974 0.02455  0.04387  133 PRO   A CD  
936  N N   . PHE   A 137 ? 0.38191 0.34291 0.32372 -0.14975 0.01746  0.01826  134 PHE   A N   
937  C CA  . PHE   A 137 ? 0.33771 0.28969 0.28245 -0.13887 0.01503  0.00800  134 PHE   A CA  
938  C C   . PHE   A 137 ? 0.36061 0.27447 0.29331 -0.13442 0.00964  0.00797  134 PHE   A C   
939  O O   . PHE   A 137 ? 0.35168 0.25730 0.28344 -0.11921 0.00962  0.00322  134 PHE   A O   
940  C CB  . PHE   A 137 ? 0.33618 0.30444 0.28947 -0.14675 0.01406  0.00215  134 PHE   A CB  
941  C CG  . PHE   A 137 ? 0.32032 0.28798 0.27661 -0.13481 0.01270  -0.00765 134 PHE   A CG  
942  C CD1 . PHE   A 137 ? 0.35569 0.29613 0.30233 -0.13178 0.00771  -0.01236 134 PHE   A CD1 
943  C CD2 . PHE   A 137 ? 0.31195 0.30506 0.27899 -0.12579 0.01627  -0.01194 134 PHE   A CD2 
944  C CE1 . PHE   A 137 ? 0.33424 0.27710 0.28164 -0.12034 0.00742  -0.02018 134 PHE   A CE1 
945  C CE2 . PHE   A 137 ? 0.30785 0.30035 0.27658 -0.11549 0.01510  -0.01843 134 PHE   A CE2 
946  C CZ  . PHE   A 137 ? 0.31432 0.28377 0.27307 -0.11302 0.01123  -0.02203 134 PHE   A CZ  
947  N N   . GLU   A 138 ? 0.39032 0.28071 0.31386 -0.14740 0.00493  0.01352  135 GLU   A N   
948  C CA  . GLU   A 138 ? 0.39340 0.24283 0.30334 -0.14172 -0.00113 0.01277  135 GLU   A CA  
949  C C   . GLU   A 138 ? 0.45951 0.29964 0.36479 -0.12665 0.00000  0.01780  135 GLU   A C   
950  O O   . GLU   A 138 ? 0.41061 0.23611 0.31244 -0.11049 -0.00125 0.01223  135 GLU   A O   
951  C CB  . GLU   A 138 ? 0.43642 0.25937 0.33709 -0.16041 -0.00746 0.01982  135 GLU   A CB  
952  C CG  . GLU   A 138 ? 0.51550 0.29060 0.39965 -0.15341 -0.01446 0.02100  135 GLU   A CG  
953  C CD  . GLU   A 138 ? 0.58715 0.34157 0.46619 -0.16729 -0.02085 0.02944  135 GLU   A CD  
954  O OE1 . GLU   A 138 ? 0.53552 0.29593 0.42029 -0.17781 -0.02430 0.02493  135 GLU   A OE1 
955  O OE2 . GLU   A 138 ? 0.55522 0.29054 0.42596 -0.16634 -0.02258 0.04107  135 GLU   A OE2 
956  N N   . ASP   A 139 ? 0.41301 0.26464 0.31809 -0.13123 0.00235  0.02850  136 ASP   A N   
957  C CA  . ASP   A 139 ? 0.40361 0.24761 0.30390 -0.11801 0.00161  0.03417  136 ASP   A CA  
958  C C   . ASP   A 139 ? 0.36204 0.22489 0.27262 -0.10119 0.00468  0.02611  136 ASP   A C   
959  O O   . ASP   A 139 ? 0.42171 0.27300 0.33060 -0.08654 0.00268  0.02591  136 ASP   A O   
960  C CB  . ASP   A 139 ? 0.42454 0.28305 0.32150 -0.12604 0.00357  0.04628  136 ASP   A CB  
961  C CG  . ASP   A 139 ? 0.52768 0.36095 0.41169 -0.14051 -0.00041 0.05938  136 ASP   A CG  
962  O OD1 . ASP   A 139 ? 0.53211 0.32915 0.40839 -0.14186 -0.00650 0.05883  136 ASP   A OD1 
963  O OD2 . ASP   A 139 ? 0.54977 0.39868 0.43013 -0.15061 0.00236  0.07046  136 ASP   A OD2 
964  N N   . ALA   A 140 ? 0.33359 0.22624 0.25569 -0.10300 0.00930  0.02023  137 ALA   A N   
965  C CA  . ALA   A 140 ? 0.32104 0.22958 0.25343 -0.08960 0.01150  0.01412  137 ALA   A CA  
966  C C   . ALA   A 140 ? 0.35940 0.25540 0.29205 -0.07990 0.01093  0.00715  137 ALA   A C   
967  O O   . ALA   A 140 ? 0.35901 0.25630 0.29553 -0.06656 0.01137  0.00638  137 ALA   A O   
968  C CB  . ALA   A 140 ? 0.33685 0.27460 0.27989 -0.09329 0.01547  0.00941  137 ALA   A CB  
969  N N   . SER   A 141 ? 0.35030 0.23578 0.27837 -0.08658 0.00970  0.00217  138 SER   A N   
970  C CA  . SER   A 141 ? 0.34292 0.21762 0.26776 -0.07697 0.00918  -0.00592 138 SER   A CA  
971  C C   . SER   A 141 ? 0.37839 0.22763 0.29375 -0.06397 0.00665  -0.00511 138 SER   A C   
972  O O   . SER   A 141 ? 0.38348 0.23671 0.30100 -0.04893 0.00910  -0.00913 138 SER   A O   
973  C CB  . SER   A 141 ? 0.36338 0.22904 0.28234 -0.08826 0.00602  -0.01171 138 SER   A CB  
974  O OG  . SER   A 141 ? 0.32685 0.22074 0.25676 -0.09626 0.00860  -0.01325 138 SER   A OG  
975  N N   . PHE   A 142 ? 0.37917 0.20258 0.28388 -0.06890 0.00184  0.00083  139 PHE   A N   
976  C CA  . PHE   A 142 ? 0.43012 0.22545 0.32461 -0.05467 -0.00171 0.00151  139 PHE   A CA  
977  C C   . PHE   A 142 ? 0.44585 0.25453 0.34773 -0.04190 -0.00027 0.00878  139 PHE   A C   
978  O O   . PHE   A 142 ? 0.52030 0.31312 0.41724 -0.02577 -0.00236 0.00890  139 PHE   A O   
979  C CB  . PHE   A 142 ? 0.47311 0.23038 0.35220 -0.06515 -0.00900 0.00611  139 PHE   A CB  
980  C CG  . PHE   A 142 ? 0.46936 0.20248 0.33791 -0.07157 -0.01342 -0.00397 139 PHE   A CG  
981  C CD1 . PHE   A 142 ? 0.47041 0.21596 0.34309 -0.09093 -0.01370 -0.00595 139 PHE   A CD1 
982  C CD2 . PHE   A 142 ? 0.54646 0.24676 0.40110 -0.05689 -0.01772 -0.01261 139 PHE   A CD2 
983  C CE1 . PHE   A 142 ? 0.49075 0.21621 0.35417 -0.09790 -0.01942 -0.01587 139 PHE   A CE1 
984  C CE2 . PHE   A 142 ? 0.57938 0.25647 0.42222 -0.06277 -0.02316 -0.02384 139 PHE   A CE2 
985  C CZ  . PHE   A 142 ? 0.55610 0.24580 0.40355 -0.08442 -0.02460 -0.02523 139 PHE   A CZ  
986  N N   . ALA   A 143 ? 0.40201 0.23981 0.31541 -0.04774 0.00252  0.01393  140 ALA   A N   
987  C CA  . ALA   A 143 ? 0.39818 0.25216 0.31996 -0.03701 0.00246  0.01962  140 ALA   A CA  
988  C C   . ALA   A 143 ? 0.40183 0.28265 0.33894 -0.02717 0.00711  0.01451  140 ALA   A C   
989  O O   . ALA   A 143 ? 0.39125 0.28601 0.33746 -0.01659 0.00656  0.01834  140 ALA   A O   
990  C CB  . ALA   A 143 ? 0.39673 0.26600 0.32021 -0.04825 0.00157  0.02711  140 ALA   A CB  
991  N N   . LEU   A 144 ? 0.36002 0.24922 0.30051 -0.03091 0.01115  0.00713  141 LEU   A N   
992  C CA  . LEU   A 144 ? 0.34442 0.25675 0.29783 -0.02269 0.01583  0.00419  141 LEU   A CA  
993  C C   . LEU   A 144 ? 0.38990 0.29476 0.33962 -0.00569 0.01772  0.00105  141 LEU   A C   
994  O O   . LEU   A 144 ? 0.43248 0.31034 0.36687 -0.00170 0.01571  -0.00382 141 LEU   A O   
995  C CB  . LEU   A 144 ? 0.33077 0.25340 0.28690 -0.03134 0.01898  -0.00134 141 LEU   A CB  
996  C CG  . LEU   A 144 ? 0.31982 0.25571 0.28190 -0.04457 0.01852  -0.00017 141 LEU   A CG  
997  C CD1 . LEU   A 144 ? 0.32804 0.26849 0.28970 -0.05095 0.02037  -0.00594 141 LEU   A CD1 
998  C CD2 . LEU   A 144 ? 0.32649 0.28417 0.30321 -0.04238 0.01895  0.00326  141 LEU   A CD2 
999  N N   . ARG   A 145 ? 0.39146 0.32113 0.35538 0.00428  0.02144  0.00361  142 ARG   A N   
1000 C CA  . ARG   A 145 ? 0.43484 0.36760 0.39743 0.02134  0.02590  0.00014  142 ARG   A CA  
1001 C C   . ARG   A 145 ? 0.40508 0.34677 0.36573 0.01914  0.03137  -0.00566 142 ARG   A C   
1002 O O   . ARG   A 145 ? 0.38995 0.34138 0.35596 0.00584  0.03172  -0.00499 142 ARG   A O   
1003 C CB  . ARG   A 145 ? 0.51667 0.47807 0.49766 0.03207  0.02799  0.00732  142 ARG   A CB  
1004 C CG  . ARG   A 145 ? 0.55351 0.51220 0.53848 0.03250  0.02112  0.01447  142 ARG   A CG  
1005 C CD  . ARG   A 145 ? 0.64503 0.63963 0.65289 0.03722  0.02163  0.02197  142 ARG   A CD  
1006 N NE  . ARG   A 145 ? 0.66038 0.67722 0.68228 0.02264  0.02323  0.02376  142 ARG   A NE  
1007 C CZ  . ARG   A 145 ? 0.63729 0.66254 0.66731 0.01052  0.01751  0.02740  142 ARG   A CZ  
1008 N NH1 . ARG   A 145 ? 0.63999 0.65857 0.66628 0.01096  0.01033  0.03084  142 ARG   A NH1 
1009 N NH2 . ARG   A 145 ? 0.56658 0.60579 0.60700 -0.00157 0.01841  0.02744  142 ARG   A NH2 
1010 N N   . THR   A 146 ? 0.44493 0.38251 0.39598 0.03366  0.03525  -0.01177 143 THR   A N   
1011 C CA  . THR   A 146 ? 0.41949 0.36659 0.36575 0.03299  0.04016  -0.01673 143 THR   A CA  
1012 C C   . THR   A 146 ? 0.40972 0.39211 0.37607 0.02805  0.04537  -0.00798 143 THR   A C   
1013 O O   . THR   A 146 ? 0.39294 0.39825 0.37491 0.03495  0.04869  -0.00065 143 THR   A O   
1014 C CB  . THR   A 146 ? 0.49922 0.44074 0.43097 0.05240  0.04433  -0.02481 143 THR   A CB  
1015 O OG1 . THR   A 146 ? 0.61305 0.51473 0.52389 0.05510  0.03753  -0.03430 143 THR   A OG1 
1016 C CG2 . THR   A 146 ? 0.48282 0.43876 0.40848 0.05233  0.04971  -0.02851 143 THR   A CG2 
1017 N N   . GLY   A 147 ? 0.36327 0.34969 0.33011 0.01560  0.04514  -0.00815 144 GLY   A N   
1018 C CA  . GLY   A 147 ? 0.40124 0.41407 0.38520 0.00927  0.04843  0.00039  144 GLY   A CA  
1019 C C   . GLY   A 147 ? 0.34584 0.36177 0.34411 -0.00364 0.04340  0.00557  144 GLY   A C   
1020 O O   . GLY   A 147 ? 0.33564 0.36700 0.34675 -0.01070 0.04410  0.01151  144 GLY   A O   
1021 N N   . GLU   A 148 ? 0.32178 0.32205 0.31655 -0.00677 0.03794  0.00354  145 GLU   A N   
1022 C CA  . GLU   A 148 ? 0.29979 0.30357 0.30477 -0.01697 0.03307  0.00719  145 GLU   A CA  
1023 C C   . GLU   A 148 ? 0.30166 0.29625 0.30087 -0.02866 0.03031  0.00288  145 GLU   A C   
1024 O O   . GLU   A 148 ? 0.31602 0.29734 0.30244 -0.03021 0.03024  -0.00269 145 GLU   A O   
1025 C CB  . GLU   A 148 ? 0.31993 0.31447 0.32237 -0.01336 0.02888  0.00868  145 GLU   A CB  
1026 C CG  . GLU   A 148 ? 0.41046 0.41143 0.42139 -0.02199 0.02355  0.01222  145 GLU   A CG  
1027 C CD  . GLU   A 148 ? 0.48445 0.47581 0.48982 -0.01829 0.01878  0.01490  145 GLU   A CD  
1028 O OE1 . GLU   A 148 ? 0.44584 0.42343 0.44200 -0.00801 0.01947  0.01441  145 GLU   A OE1 
1029 O OE2 . GLU   A 148 ? 0.55194 0.54848 0.56081 -0.02490 0.01378  0.01728  145 GLU   A OE2 
1030 N N   . MET   A 149 ? 0.25629 0.25907 0.26537 -0.03654 0.02747  0.00492  146 MET   A N   
1031 C CA  . MET   A 149 ? 0.25056 0.24975 0.25656 -0.04515 0.02546  0.00077  146 MET   A CA  
1032 C C   . MET   A 149 ? 0.26496 0.26096 0.26903 -0.05056 0.02134  0.00012  146 MET   A C   
1033 O O   . MET   A 149 ? 0.26374 0.26426 0.27329 -0.04937 0.01854  0.00353  146 MET   A O   
1034 C CB  . MET   A 149 ? 0.24433 0.25399 0.26088 -0.04770 0.02559  0.00234  146 MET   A CB  
1035 C CG  . MET   A 149 ? 0.25299 0.26091 0.26736 -0.05299 0.02369  -0.00258 146 MET   A CG  
1036 S SD  . MET   A 149 ? 0.29164 0.30550 0.31736 -0.05360 0.02240  0.00043  146 MET   A SD  
1037 C CE  . MET   A 149 ? 0.25905 0.27405 0.29510 -0.05740 0.01712  0.00184  146 MET   A CE  
1038 N N   . SER   A 150 ? 0.22501 0.21611 0.22119 -0.05659 0.02089  -0.00378 147 SER   A N   
1039 C CA  . SER   A 150 ? 0.22870 0.21991 0.22085 -0.06152 0.01825  -0.00370 147 SER   A CA  
1040 C C   . SER   A 150 ? 0.25595 0.25773 0.25498 -0.06347 0.01624  -0.00682 147 SER   A C   
1041 O O   . SER   A 150 ? 0.24987 0.25588 0.25693 -0.06209 0.01644  -0.00856 147 SER   A O   
1042 C CB  . SER   A 150 ? 0.25744 0.24306 0.23934 -0.06823 0.01934  -0.00525 147 SER   A CB  
1043 O OG  . SER   A 150 ? 0.23377 0.22907 0.21938 -0.07113 0.02089  -0.01000 147 SER   A OG  
1044 N N   . GLY   A 151 ? 0.26284 0.26719 0.25650 -0.06636 0.01389  -0.00770 148 GLY   A N   
1045 C CA  . GLY   A 151 ? 0.25263 0.26472 0.24726 -0.06751 0.01245  -0.01384 148 GLY   A CA  
1046 C C   . GLY   A 151 ? 0.26945 0.28711 0.25841 -0.07062 0.01652  -0.01703 148 GLY   A C   
1047 O O   . GLY   A 151 ? 0.26891 0.28360 0.25614 -0.07324 0.01939  -0.01483 148 GLY   A O   
1048 N N   . PRO   A 152 ? 0.23383 0.26113 0.22023 -0.07007 0.01649  -0.02290 149 PRO   A N   
1049 C CA  . PRO   A 152 ? 0.23925 0.27888 0.22283 -0.07258 0.02112  -0.02528 149 PRO   A CA  
1050 C C   . PRO   A 152 ? 0.26751 0.30767 0.24212 -0.08067 0.02384  -0.01822 149 PRO   A C   
1051 O O   . PRO   A 152 ? 0.30738 0.34615 0.27294 -0.08248 0.02279  -0.01445 149 PRO   A O   
1052 C CB  . PRO   A 152 ? 0.23663 0.28728 0.21725 -0.06770 0.02059  -0.03345 149 PRO   A CB  
1053 C CG  . PRO   A 152 ? 0.37178 0.41122 0.35491 -0.06341 0.01407  -0.03676 149 PRO   A CG  
1054 C CD  . PRO   A 152 ? 0.27814 0.30653 0.26406 -0.06664 0.01174  -0.02840 149 PRO   A CD  
1055 N N   . VAL   A 153 ? 0.25766 0.29900 0.23418 -0.08623 0.02636  -0.01596 150 VAL   A N   
1056 C CA  . VAL   A 153 ? 0.26509 0.30376 0.23397 -0.09655 0.02798  -0.00857 150 VAL   A CA  
1057 C C   . VAL   A 153 ? 0.28289 0.34477 0.25498 -0.10289 0.03235  -0.00960 150 VAL   A C   
1058 O O   . VAL   A 153 ? 0.27202 0.34351 0.25347 -0.10142 0.03277  -0.01437 150 VAL   A O   
1059 C CB  . VAL   A 153 ? 0.25635 0.27405 0.22418 -0.09920 0.02554  -0.00529 150 VAL   A CB  
1060 C CG1 . VAL   A 153 ? 0.30614 0.31577 0.26589 -0.11167 0.02555  0.00211  150 VAL   A CG1 
1061 C CG2 . VAL   A 153 ? 0.28486 0.28586 0.25097 -0.09116 0.02242  -0.00363 150 VAL   A CG2 
1062 N N   . PHE   A 154 ? 0.27937 0.35329 0.24410 -0.10954 0.03568  -0.00428 151 PHE   A N   
1063 C CA  . PHE   A 154 ? 0.26839 0.37230 0.23740 -0.11478 0.04130  -0.00443 151 PHE   A CA  
1064 C C   . PHE   A 154 ? 0.30311 0.40717 0.27268 -0.13153 0.04197  0.00505  151 PHE   A C   
1065 O O   . PHE   A 154 ? 0.32025 0.40534 0.27963 -0.14019 0.04017  0.01463  151 PHE   A O   
1066 C CB  . PHE   A 154 ? 0.28833 0.41092 0.24805 -0.11201 0.04574  -0.00401 151 PHE   A CB  
1067 C CG  . PHE   A 154 ? 0.27855 0.40263 0.23714 -0.09654 0.04409  -0.01555 151 PHE   A CG  
1068 C CD1 . PHE   A 154 ? 0.28637 0.38744 0.23957 -0.09105 0.03803  -0.01693 151 PHE   A CD1 
1069 C CD2 . PHE   A 154 ? 0.33173 0.48063 0.29482 -0.08754 0.04798  -0.02505 151 PHE   A CD2 
1070 C CE1 . PHE   A 154 ? 0.33555 0.43581 0.28791 -0.07946 0.03485  -0.02748 151 PHE   A CE1 
1071 C CE2 . PHE   A 154 ? 0.31562 0.46018 0.27598 -0.07362 0.04488  -0.03664 151 PHE   A CE2 
1072 C CZ  . PHE   A 154 ? 0.29748 0.41664 0.25242 -0.07097 0.03786  -0.03772 151 PHE   A CZ  
1073 N N   . THR   A 155 ? 0.29032 0.41524 0.27205 -0.13629 0.04351  0.00269  152 THR   A N   
1074 C CA  . THR   A 155 ? 0.30897 0.44063 0.29396 -0.15484 0.04362  0.01130  152 THR   A CA  
1075 C C   . THR   A 155 ? 0.30112 0.47457 0.29818 -0.15427 0.04844  0.00986  152 THR   A C   
1076 O O   . THR   A 155 ? 0.33682 0.53537 0.33983 -0.14245 0.05346  0.00165  152 THR   A O   
1077 C CB  . THR   A 155 ? 0.31485 0.42340 0.30313 -0.15944 0.03611  0.00893  152 THR   A CB  
1078 O OG1 . THR   A 155 ? 0.30126 0.43004 0.30290 -0.15257 0.03564  -0.00008 152 THR   A OG1 
1079 C CG2 . THR   A 155 ? 0.34669 0.41653 0.32450 -0.15159 0.03133  0.00694  152 THR   A CG2 
1080 N N   . ASP   A 156 ? 0.30444 0.48485 0.30564 -0.16574 0.04636  0.01731  153 ASP   A N   
1081 C CA  . ASP   A 156 ? 0.31558 0.53749 0.33040 -0.16480 0.05026  0.01642  153 ASP   A CA  
1082 C C   . ASP   A 156 ? 0.30864 0.54612 0.33786 -0.15604 0.04835  0.00579  153 ASP   A C   
1083 O O   . ASP   A 156 ? 0.33031 0.60499 0.37153 -0.14950 0.05220  0.00264  153 ASP   A O   
1084 C CB  . ASP   A 156 ? 0.33859 0.56414 0.35663 -0.18108 0.04757  0.02722  153 ASP   A CB  
1085 C CG  . ASP   A 156 ? 0.48446 0.71098 0.49201 -0.18797 0.05180  0.03894  153 ASP   A CG  
1086 O OD1 . ASP   A 156 ? 0.47178 0.69297 0.46730 -0.18011 0.05591  0.03857  153 ASP   A OD1 
1087 O OD2 . ASP   A 156 ? 0.52330 0.75706 0.53457 -0.20173 0.05078  0.04889  153 ASP   A OD2 
1088 N N   . SER   A 157 ? 0.28386 0.49469 0.31192 -0.15479 0.04233  0.00057  154 SER   A N   
1089 C CA  . SER   A 157 ? 0.28957 0.51425 0.33015 -0.14611 0.03991  -0.00855 154 SER   A CA  
1090 C C   . SER   A 157 ? 0.30869 0.54054 0.35038 -0.12656 0.04397  -0.01737 154 SER   A C   
1091 O O   . SER   A 157 ? 0.26463 0.51582 0.31742 -0.11447 0.04310  -0.02396 154 SER   A O   
1092 C CB  . SER   A 157 ? 0.30984 0.50199 0.34595 -0.15023 0.03165  -0.01102 154 SER   A CB  
1093 O OG  . SER   A 157 ? 0.46659 0.64510 0.49914 -0.16460 0.02583  -0.00507 154 SER   A OG  
1094 N N   . GLY   A 158 ? 0.26752 0.47759 0.29585 -0.12039 0.04589  -0.01763 155 GLY   A N   
1095 C CA  . GLY   A 158 ? 0.24088 0.44527 0.26686 -0.10083 0.04619  -0.02652 155 GLY   A CA  
1096 C C   . GLY   A 158 ? 0.25947 0.42663 0.27196 -0.09860 0.04314  -0.02577 155 GLY   A C   
1097 O O   . GLY   A 158 ? 0.31150 0.46573 0.31433 -0.10890 0.04367  -0.01849 155 GLY   A O   
1098 N N   . ILE   A 159 ? 0.22334 0.37444 0.23620 -0.08523 0.03953  -0.03233 156 ILE   A N   
1099 C CA  . ILE   A 159 ? 0.21531 0.33680 0.21905 -0.08222 0.03637  -0.03184 156 ILE   A CA  
1100 C C   . ILE   A 159 ? 0.23770 0.33840 0.24421 -0.08111 0.03158  -0.03096 156 ILE   A C   
1101 O O   . ILE   A 159 ? 0.21990 0.32512 0.23403 -0.07401 0.02962  -0.03459 156 ILE   A O   
1102 C CB  . ILE   A 159 ? 0.23919 0.35967 0.24038 -0.06922 0.03585  -0.03955 156 ILE   A CB  
1103 C CG1 . ILE   A 159 ? 0.22353 0.36999 0.22045 -0.06758 0.04155  -0.04240 156 ILE   A CG1 
1104 C CG2 . ILE   A 159 ? 0.24802 0.34346 0.24108 -0.06932 0.03209  -0.03766 156 ILE   A CG2 
1105 C CD1 . ILE   A 159 ? 0.27369 0.41951 0.26616 -0.05293 0.04025  -0.05333 156 ILE   A CD1 
1106 N N   . HIS   A 160 ? 0.23744 0.31639 0.23680 -0.08677 0.02982  -0.02583 157 HIS   A N   
1107 C CA  . HIS   A 160 ? 0.21806 0.27933 0.21743 -0.08551 0.02657  -0.02480 157 HIS   A CA  
1108 C C   . HIS   A 160 ? 0.24602 0.29011 0.24347 -0.07855 0.02495  -0.02394 157 HIS   A C   
1109 O O   . HIS   A 160 ? 0.24702 0.28661 0.24013 -0.07868 0.02498  -0.02234 157 HIS   A O   
1110 C CB  . HIS   A 160 ? 0.23798 0.28659 0.23039 -0.09590 0.02539  -0.02046 157 HIS   A CB  
1111 C CG  . HIS   A 160 ? 0.25043 0.31428 0.24528 -0.10741 0.02577  -0.01934 157 HIS   A CG  
1112 N ND1 . HIS   A 160 ? 0.26998 0.33588 0.26745 -0.11206 0.02236  -0.02136 157 HIS   A ND1 
1113 C CD2 . HIS   A 160 ? 0.27071 0.35019 0.26587 -0.11659 0.02885  -0.01550 157 HIS   A CD2 
1114 C CE1 . HIS   A 160 ? 0.28173 0.36429 0.28324 -0.12465 0.02262  -0.01894 157 HIS   A CE1 
1115 N NE2 . HIS   A 160 ? 0.28589 0.37794 0.28649 -0.12772 0.02730  -0.01463 157 HIS   A NE2 
1116 N N   . ILE   A 161 ? 0.21840 0.25525 0.21920 -0.07312 0.02331  -0.02404 158 ILE   A N   
1117 C CA  . ILE   A 161 ? 0.20889 0.23157 0.20887 -0.06925 0.02243  -0.02072 158 ILE   A CA  
1118 C C   . ILE   A 161 ? 0.23926 0.25232 0.23311 -0.07077 0.02266  -0.01901 158 ILE   A C   
1119 O O   . ILE   A 161 ? 0.23842 0.25543 0.23169 -0.07132 0.02205  -0.02112 158 ILE   A O   
1120 C CB  . ILE   A 161 ? 0.25135 0.27427 0.25913 -0.06237 0.02104  -0.02062 158 ILE   A CB  
1121 C CG1 . ILE   A 161 ? 0.28755 0.31578 0.29958 -0.05966 0.01929  -0.02494 158 ILE   A CG1 
1122 C CG2 . ILE   A 161 ? 0.31130 0.32556 0.32084 -0.06017 0.02087  -0.01554 158 ILE   A CG2 
1123 C CD1 . ILE   A 161 ? 0.30393 0.32831 0.32316 -0.05380 0.01654  -0.02455 158 ILE   A CD1 
1124 N N   . ILE   A 162 ? 0.25648 0.25688 0.24479 -0.07038 0.02275  -0.01599 159 ILE   A N   
1125 C CA  . ILE   A 162 ? 0.27058 0.25780 0.25009 -0.07010 0.02242  -0.01633 159 ILE   A CA  
1126 C C   . ILE   A 162 ? 0.24278 0.22572 0.22314 -0.06053 0.02401  -0.01408 159 ILE   A C   
1127 O O   . ILE   A 162 ? 0.25434 0.23879 0.24002 -0.05718 0.02434  -0.01027 159 ILE   A O   
1128 C CB  . ILE   A 162 ? 0.24848 0.22192 0.21892 -0.07652 0.02091  -0.01458 159 ILE   A CB  
1129 C CG1 . ILE   A 162 ? 0.26687 0.25051 0.23827 -0.08746 0.02066  -0.01461 159 ILE   A CG1 
1130 C CG2 . ILE   A 162 ? 0.28237 0.23694 0.24190 -0.07538 0.01904  -0.01717 159 ILE   A CG2 
1131 C CD1 . ILE   A 162 ? 0.27785 0.24989 0.24090 -0.09593 0.01952  -0.00946 159 ILE   A CD1 
1132 N N   . LEU   A 163 ? 0.26146 0.24181 0.23646 -0.05616 0.02486  -0.01637 160 LEU   A N   
1133 C CA  . LEU   A 163 ? 0.25739 0.23758 0.23172 -0.04612 0.02792  -0.01413 160 LEU   A CA  
1134 C C   . LEU   A 163 ? 0.30898 0.27203 0.26850 -0.04199 0.02725  -0.01890 160 LEU   A C   
1135 O O   . LEU   A 163 ? 0.30681 0.26398 0.25651 -0.04451 0.02506  -0.02472 160 LEU   A O   
1136 C CB  . LEU   A 163 ? 0.24406 0.23715 0.22208 -0.04250 0.03013  -0.01239 160 LEU   A CB  
1137 C CG  . LEU   A 163 ? 0.30203 0.30125 0.27974 -0.03263 0.03496  -0.00839 160 LEU   A CG  
1138 C CD1 . LEU   A 163 ? 0.30085 0.30748 0.29175 -0.03069 0.03668  -0.00155 160 LEU   A CD1 
1139 C CD2 . LEU   A 163 ? 0.29804 0.30927 0.27631 -0.03065 0.03692  -0.00496 160 LEU   A CD2 
1140 N N   . ARG   A 164 ? 0.34579 0.29995 0.30324 -0.03515 0.02801  -0.01709 161 ARG   A N   
1141 C CA  . ARG   A 164 ? 0.33693 0.27120 0.27897 -0.02779 0.02701  -0.02273 161 ARG   A CA  
1142 C C   . ARG   A 164 ? 0.34670 0.29090 0.28540 -0.01495 0.03209  -0.02460 161 ARG   A C   
1143 O O   . ARG   A 164 ? 0.35698 0.31860 0.30658 -0.00723 0.03705  -0.01836 161 ARG   A O   
1144 C CB  . ARG   A 164 ? 0.32543 0.24510 0.26547 -0.02268 0.02537  -0.01988 161 ARG   A CB  
1145 C CG  . ARG   A 164 ? 0.38462 0.27929 0.30712 -0.01256 0.02361  -0.02712 161 ARG   A CG  
1146 C CD  . ARG   A 164 ? 0.38116 0.25532 0.29916 -0.00653 0.02036  -0.02422 161 ARG   A CD  
1147 N NE  . ARG   A 164 ? 0.41237 0.26239 0.31342 0.00733  0.01900  -0.03264 161 ARG   A NE  
1148 C CZ  . ARG   A 164 ? 0.52712 0.35874 0.42243 0.02039  0.01695  -0.03183 161 ARG   A CZ  
1149 N NH1 . ARG   A 164 ? 0.49535 0.33054 0.40025 0.02022  0.01544  -0.02190 161 ARG   A NH1 
1150 N NH2 . ARG   A 164 ? 0.52140 0.33021 0.39974 0.03530  0.01578  -0.04174 161 ARG   A NH2 
1151 N N   . THR   A 165 ? 0.34944 0.28485 0.27300 -0.01330 0.03067  -0.03280 162 THR   A N   
1152 C CA  . THR   A 165 ? 0.35724 0.30420 0.27393 -0.00081 0.03599  -0.03488 162 THR   A CA  
1153 C C   . THR   A 165 ? 0.38645 0.31537 0.28554 0.01392  0.03647  -0.04350 162 THR   A C   
1154 O O   . THR   A 165 ? 0.40984 0.35289 0.30497 0.02819  0.04319  -0.04382 162 THR   A O   
1155 C CB  . THR   A 165 ? 0.41660 0.37021 0.32622 -0.00640 0.03398  -0.03853 162 THR   A CB  
1156 O OG1 . THR   A 165 ? 0.38405 0.31557 0.28034 -0.01450 0.02586  -0.04823 162 THR   A OG1 
1157 C CG2 . THR   A 165 ? 0.36140 0.33400 0.28836 -0.01642 0.03420  -0.02992 162 THR   A CG2 
1158 N N   A GLU   A 166 ? 0.40524 0.30339 0.29361 0.01137  0.02968  -0.04987 163 GLU   A N   
1159 N N   B GLU   A 166 ? 0.40871 0.30655 0.29619 0.01106  0.02947  -0.05043 163 GLU   A N   
1160 C CA  A GLU   A 166 ? 0.45341 0.32755 0.32412 0.02695  0.02860  -0.05892 163 GLU   A CA  
1161 C CA  B GLU   A 166 ? 0.45537 0.32865 0.32413 0.02622  0.02813  -0.06015 163 GLU   A CA  
1162 C C   A GLU   A 166 ? 0.46180 0.31025 0.33325 0.02594  0.02349  -0.05640 163 GLU   A C   
1163 C C   B GLU   A 166 ? 0.45104 0.29311 0.31729 0.02189  0.02121  -0.05965 163 GLU   A C   
1164 O O   A GLU   A 166 ? 0.41907 0.24096 0.27582 0.03898  0.02080  -0.06341 163 GLU   A O   
1165 O O   B GLU   A 166 ? 0.38162 0.22139 0.25703 0.00490  0.01723  -0.05328 163 GLU   A O   
1166 C CB  A GLU   A 166 ? 0.46270 0.31412 0.30963 0.02594  0.02232  -0.07322 163 GLU   A CB  
1167 C CB  B GLU   A 166 ? 0.46270 0.32056 0.30838 0.02737  0.02366  -0.07402 163 GLU   A CB  
1168 C CG  A GLU   A 166 ? 0.47782 0.35242 0.31836 0.02989  0.02647  -0.07660 163 GLU   A CG  
1169 C CG  B GLU   A 166 ? 0.46493 0.35141 0.30722 0.03413  0.03010  -0.07475 163 GLU   A CG  
1170 C CD  A GLU   A 166 ? 0.51189 0.36400 0.32862 0.02624  0.01766  -0.09143 163 GLU   A CD  
1171 C CD  B GLU   A 166 ? 0.51544 0.38568 0.33188 0.03577  0.02397  -0.08977 163 GLU   A CD  
1172 O OE1 A GLU   A 166 ? 0.51929 0.33610 0.32571 0.01949  0.00821  -0.09897 163 GLU   A OE1 
1173 O OE1 B GLU   A 166 ? 0.57081 0.40545 0.36883 0.03929  0.01663  -0.10213 163 GLU   A OE1 
1174 O OE2 A GLU   A 166 ? 0.55621 0.42537 0.36403 0.02921  0.01928  -0.09501 163 GLU   A OE2 
1175 O OE2 B GLU   A 166 ? 0.54657 0.43805 0.36010 0.03351  0.02544  -0.08923 163 GLU   A OE2 
1176 C C   . ACE   B 1   ? 0.54228 0.66454 0.56158 -0.14578 -0.00070 -0.03197 1   ACE   B C   
1177 O O   . ACE   B 1   ? 0.48902 0.59799 0.50356 -0.14524 0.00479  -0.02815 1   ACE   B O   
1178 C CH3 . ACE   B 1   ? 0.47416 0.62418 0.50499 -0.13134 0.00014  -0.03435 1   ACE   B CH3 
1179 N N   . PHE   B 2   ? 0.49301 0.60309 0.50569 -0.15846 -0.00992 -0.03532 2   PHE   B N   
1180 C CA  . PHE   B 2   ? 0.60183 0.67889 0.60157 -0.17147 -0.01311 -0.03409 2   PHE   B CA  
1181 C C   . PHE   B 2   ? 0.52714 0.61034 0.53259 -0.17806 -0.00726 -0.02396 2   PHE   B C   
1182 O O   . PHE   B 2   ? 0.57485 0.68696 0.59316 -0.18345 -0.00582 -0.01935 2   PHE   B O   
1183 C CB  . PHE   B 2   ? 0.63381 0.70088 0.62777 -0.17978 -0.02413 -0.03915 2   PHE   B CB  
1184 C CG  . PHE   B 2   ? 0.68295 0.73435 0.66248 -0.16899 -0.02886 -0.04915 2   PHE   B CG  
1185 C CD1 . PHE   B 2   ? 0.65078 0.72857 0.63701 -0.15685 -0.02938 -0.05157 2   PHE   B CD1 
1186 C CD2 . PHE   B 2   ? 0.63426 0.64424 0.59277 -0.16591 -0.03173 -0.05426 2   PHE   B CD2 
1187 C CE1 . PHE   B 2   ? 0.64868 0.71298 0.61997 -0.14354 -0.03227 -0.05768 2   PHE   B CE1 
1188 C CE2 . PHE   B 2   ? 0.73467 0.73352 0.67876 -0.15120 -0.03395 -0.06203 2   PHE   B CE2 
1189 C CZ  . PHE   B 2   ? 0.65889 0.68550 0.60894 -0.14084 -0.03395 -0.06306 2   PHE   B CZ  
1190 C C   . YCP   B 3   ? 0.52325 0.54614 0.50651 -0.19242 -0.00452 -0.00575 3   YCP   B C   
1191 N N   . YCP   B 3   ? 0.55053 0.60406 0.54383 -0.17617 -0.00339 -0.02013 3   YCP   B N   
1192 O O   . YCP   B 3   ? 0.51756 0.51397 0.48982 -0.19148 -0.00356 -0.00142 3   YCP   B O   
1193 C CA  . YCP   B 3   ? 0.47585 0.53095 0.46966 -0.18134 0.00189  -0.00987 3   YCP   B CA  
1194 C CB  . YCP   B 3   ? 0.52473 0.57151 0.51283 -0.17214 0.00887  -0.00761 3   YCP   B CB  
1195 C CD  . YCP   B 3   ? 0.48670 0.49603 0.46066 -0.15529 0.00263  -0.02123 3   YCP   B CD  
1196 C CE  . YCP   B 3   ? 0.57115 0.59119 0.54928 -0.16633 -0.00455 -0.02589 3   YCP   B CE  
1197 C CG  . YCP   B 3   ? 0.53321 0.57184 0.51856 -0.15696 0.00944  -0.01535 3   YCP   B CG  
1198 N N   . A1A2Y B 4   ? 0.43853 0.46320 0.42579 -0.20377 -0.01263 -0.00738 4   A1A2Y B N   
1199 C CA  . A1A2Y B 4   ? 0.55884 0.55007 0.53655 -0.21479 -0.01972 -0.00411 4   A1A2Y B CA  
1200 C C   . A1A2Y B 4   ? 0.53196 0.53039 0.51290 -0.22348 -0.01475 0.00948  4   A1A2Y B C   
1201 C CB  . A1A2Y B 4   ? 0.55715 0.55273 0.54038 -0.22584 -0.02924 -0.00860 4   A1A2Y B CB  
1202 C CG  . A1A2Y B 4   ? 0.68696 0.68129 0.66618 -0.21729 -0.03461 -0.02198 4   A1A2Y B CG  
1203 C CD1 . A1A2Y B 4   ? 0.68769 0.71932 0.67976 -0.21471 -0.03499 -0.02618 4   A1A2Y B CD1 
1204 C CE2 . A1A2Y B 4   ? 0.76712 0.74022 0.72852 -0.20340 -0.04341 -0.04181 4   A1A2Y B CE2 
1205 C CD2 . A1A2Y B 4   ? 0.74598 0.70255 0.70641 -0.20940 -0.04007 -0.03219 4   A1A2Y B CD2 
1206 C CE3 . A1A2Y B 4   ? 0.75586 0.66632 0.69770 -0.20547 -0.04249 -0.03423 4   A1A2Y B CE3 
1207 C CZ3 . A1A2Y B 4   ? 0.74173 0.62449 0.66572 -0.19466 -0.04732 -0.04705 4   A1A2Y B CZ3 
1208 O O23 . A1A2Y B 4   ? 0.74247 0.58027 0.64805 -0.18815 -0.04944 -0.04964 4   A1A2Y B O23 
1209 C C24 . A1A2Y B 4   ? 0.76068 0.57462 0.64717 -0.17516 -0.05356 -0.06393 4   A1A2Y B C24 
1210 C CZ2 . A1A2Y B 4   ? 0.79613 0.74126 0.73813 -0.19376 -0.04861 -0.05407 4   A1A2Y B CZ2 
1211 N NE1 . A1A2Y B 4   ? 0.74347 0.76141 0.72468 -0.20698 -0.04076 -0.03750 4   A1A2Y B NE1 
1212 C CH2 . A1A2Y B 4   ? 0.78465 0.68539 0.70785 -0.18897 -0.05000 -0.05712 4   A1A2Y B CH2 
1213 O O   . A1A2Y B 4   ? 0.55572 0.59137 0.54882 -0.22442 -0.00812 0.01444  4   A1A2Y B O   
1214 N N   . NH2   B 5   ? 0.58028 0.54009 0.54825 -0.22949 -0.01829 0.01616  5   NH2   B N   
1215 S S   . SO4   C .   ? 2.28882 2.77393 2.48724 0.16271  -0.00910 -0.07680 201 SO4   A S   
1216 O O1  . SO4   C .   ? 1.97894 2.49936 2.19005 0.15155  -0.01497 -0.06775 201 SO4   A O1  
1217 O O2  . SO4   C .   ? 1.96290 2.43592 2.15169 0.13554  -0.00104 -0.07649 201 SO4   A O2  
1218 O O3  . SO4   C .   ? 2.23966 2.66900 2.42339 0.17534  -0.01871 -0.07441 201 SO4   A O3  
1219 O O4  . SO4   C .   ? 1.96638 2.46330 2.16454 0.18155  -0.00243 -0.08547 201 SO4   A O4  
1220 S S   . SO4   D .   ? 0.67504 0.95519 0.75018 -0.16276 0.02490  -0.00756 202 SO4   A S   
1221 O O1  . SO4   D .   ? 0.40956 0.71340 0.48853 -0.14736 0.03395  -0.01069 202 SO4   A O1  
1222 O O2  . SO4   D .   ? 0.71722 0.95279 0.77475 -0.16872 0.02329  -0.00544 202 SO4   A O2  
1223 O O3  . SO4   D .   ? 0.69150 0.97460 0.77326 -0.15741 0.01765  -0.01479 202 SO4   A O3  
1224 O O4  . SO4   D .   ? 0.66923 0.96642 0.75084 -0.17713 0.02378  0.00055  202 SO4   A O4  
1225 S S   . SO4   E .   ? 0.96282 1.18968 1.02449 -0.15964 -0.02033 -0.03734 203 SO4   A S   
1226 O O1  . SO4   E .   ? 0.90362 1.10046 0.94889 -0.16705 -0.03012 -0.04237 203 SO4   A O1  
1227 O O2  . SO4   E .   ? 0.89928 1.11026 0.95680 -0.16658 -0.01262 -0.03110 203 SO4   A O2  
1228 O O3  . SO4   E .   ? 0.91417 1.18294 0.99476 -0.15979 -0.02235 -0.03504 203 SO4   A O3  
1229 O O4  . SO4   E .   ? 0.76087 0.98239 0.81909 -0.13779 -0.01567 -0.03918 203 SO4   A O4  
1230 S S   . SO4   F .   ? 1.19237 1.07662 1.11675 0.08340  0.02950  -0.01971 204 SO4   A S   
1231 O O1  . SO4   F .   ? 0.95470 0.80166 0.86672 0.06978  0.02019  -0.01890 204 SO4   A O1  
1232 O O2  . SO4   F .   ? 1.04992 0.92355 0.95707 0.09291  0.03312  -0.03235 204 SO4   A O2  
1233 O O3  . SO4   F .   ? 1.30221 1.20058 1.23688 0.10347  0.03061  -0.01450 204 SO4   A O3  
1234 O O4  . SO4   F .   ? 0.83135 0.75047 0.77468 0.06789  0.03352  -0.01270 204 SO4   A O4  
1235 S S   . SO4   G .   ? 1.73634 1.84074 1.61637 -0.07264 -0.13708 -0.05060 205 SO4   A S   
1236 O O1  . SO4   G .   ? 1.58702 1.69079 1.44304 -0.07325 -0.14919 -0.06908 205 SO4   A O1  
1237 O O2  . SO4   G .   ? 1.56535 1.65515 1.44896 -0.07143 -0.12030 -0.05328 205 SO4   A O2  
1238 O O3  . SO4   G .   ? 1.58576 1.70052 1.45251 -0.06628 -0.13332 -0.03359 205 SO4   A O3  
1239 O O4  . SO4   G .   ? 1.59270 1.70272 1.50626 -0.07935 -0.14633 -0.04615 205 SO4   A O4  
1240 S S1  . DTT   H .   ? 0.69480 0.79510 0.75412 0.05193  -0.00221 -0.06776 206 DTT   A S1  
1241 C C1  . DTT   H .   ? 0.71428 0.81388 0.76893 0.06703  -0.00058 -0.08446 206 DTT   A C1  
1242 C C2  . DTT   H .   ? 0.60921 0.75170 0.67090 0.07888  0.00546  -0.09264 206 DTT   A C2  
1243 O O2  . DTT   H .   ? 0.49335 0.65071 0.54862 0.07294  0.01304  -0.09938 206 DTT   A O2  
1244 C C3  . DTT   H .   ? 0.78381 0.91877 0.84618 0.10506  0.00061  -0.10307 206 DTT   A C3  
1245 O O3  . DTT   H .   ? 0.94751 1.06126 0.99730 0.11017  0.00037  -0.11526 206 DTT   A O3  
1246 C C4  . DTT   H .   ? 0.89003 1.07335 0.96486 0.12039  0.00537  -0.10773 206 DTT   A C4  
1247 S S4  . DTT   H .   ? 0.76376 1.00253 0.84369 0.10667  0.01899  -0.10848 206 DTT   A S4  
1248 O O22 . P33   I .   ? 0.42089 0.44874 0.46086 -0.04849 0.01350  0.01267  207 P33   A O22 
1249 C C21 . P33   I .   ? 0.34987 0.37208 0.38645 -0.05495 0.01136  0.00721  207 P33   A C21 
1250 C C20 . P33   I .   ? 0.45293 0.47593 0.48729 -0.05766 0.00484  0.00574  207 P33   A C20 
1251 O O19 . P33   I .   ? 0.31089 0.33187 0.34452 -0.06280 0.00068  -0.00021 207 P33   A O19 
1252 C C18 . P33   I .   ? 0.29865 0.31334 0.32185 -0.06340 0.00375  -0.00605 207 P33   A C18 
1253 C C17 . P33   I .   ? 0.31731 0.33196 0.33746 -0.06606 -0.00219 -0.01299 207 P33   A C17 
1254 O O16 . P33   I .   ? 0.29490 0.30876 0.32769 -0.06853 -0.00769 -0.01326 207 P33   A O16 
1255 C C15 . P33   I .   ? 0.38403 0.39184 0.41137 -0.06887 -0.01203 -0.02300 207 P33   A C15 
1256 C C14 . P33   I .   ? 0.40986 0.41394 0.44419 -0.07334 -0.02237 -0.02583 207 P33   A C14 
1257 O O13 . P33   I .   ? 0.43740 0.43979 0.48752 -0.07718 -0.02343 -0.01866 207 P33   A O13 
1258 C C12 . P33   I .   ? 0.24632 0.26070 0.30661 -0.08037 -0.02495 -0.01023 207 P33   A C12 
1259 C C11 . P33   I .   ? 0.27718 0.29372 0.35588 -0.08966 -0.03379 -0.00533 207 P33   A C11 
1260 O O10 . P33   I .   ? 0.30434 0.33402 0.38430 -0.09064 -0.03896 -0.00425 207 P33   A O10 
1261 C C9  . P33   I .   ? 0.30710 0.35528 0.40623 -0.09513 -0.04146 0.00628  207 P33   A C9  
1262 C C8  . P33   I .   ? 0.32552 0.38594 0.41933 -0.09170 -0.04651 0.00549  207 P33   A C8  
1263 O O7  . P33   I .   ? 0.32223 0.37118 0.40179 -0.09443 -0.05618 -0.00651 207 P33   A O7  
1264 C C6  . P33   I .   ? 0.32880 0.38894 0.40279 -0.09293 -0.06344 -0.00696 207 P33   A C6  
1265 C C5  . P33   I .   ? 0.36128 0.40834 0.41683 -0.09529 -0.07314 -0.02157 207 P33   A C5  
1266 O O4  . P33   I .   ? 0.43695 0.47042 0.47514 -0.08883 -0.06358 -0.02778 207 P33   A O4  
1267 C C3  . P33   I .   ? 0.56166 0.58786 0.57807 -0.08651 -0.06849 -0.04077 207 P33   A C3  
1268 C C2  . P33   I .   ? 0.53497 0.56368 0.53272 -0.07844 -0.05682 -0.03916 207 P33   A C2  
1269 O O1  . P33   I .   ? 0.56037 0.57968 0.55831 -0.07588 -0.04783 -0.04235 207 P33   A O1  
1270 O O   . HOH   J .   ? 0.63740 0.63799 0.66678 -0.03535 0.01082  0.05930  301 HOH   A O   
1271 O O   . HOH   J .   ? 0.73122 1.11039 0.88483 0.13178  0.00049  -0.08113 302 HOH   A O   
1272 O O   . HOH   J .   ? 0.48685 0.43470 0.48906 -0.01238 -0.02703 -0.09355 303 HOH   A O   
1273 O O   . HOH   J .   ? 0.88920 0.67798 0.78331 0.06020  0.00534  -0.01151 304 HOH   A O   
1274 O O   . HOH   J .   ? 0.43478 0.46997 0.47629 -0.03716 0.00852  0.02035  305 HOH   A O   
1275 O O   . HOH   J .   ? 0.34943 0.32391 0.33629 -0.03711 0.00803  0.01729  306 HOH   A O   
1276 O O   . HOH   J .   ? 0.78000 1.01565 0.66684 0.00271  0.05834  -0.10879 307 HOH   A O   
1277 O O   . HOH   J .   ? 0.58150 0.66224 0.49834 -0.04814 -0.08266 0.03299  308 HOH   A O   
1278 O O   . HOH   J .   ? 0.88696 0.65915 0.75750 0.07979  0.01112  -0.03723 309 HOH   A O   
1279 O O   . HOH   J .   ? 0.67798 1.00788 0.66302 -0.10673 0.08451  -0.00467 310 HOH   A O   
1280 O O   . HOH   J .   ? 0.73937 0.29618 0.54307 -0.09263 -0.05266 -0.02634 311 HOH   A O   
1281 O O   . HOH   J .   ? 0.45029 0.48629 0.49196 -0.03457 0.02455  0.01811  312 HOH   A O   
1282 O O   . HOH   J .   ? 0.39311 0.42834 0.42720 0.03735  -0.02746 0.01951  313 HOH   A O   
1283 O O   . HOH   J .   ? 0.60567 0.34112 0.42428 0.03344  0.00169  -0.08069 314 HOH   A O   
1284 O O   . HOH   J .   ? 0.57336 0.34968 0.46340 -0.17128 -0.02607 -0.00124 315 HOH   A O   
1285 O O   . HOH   J .   ? 0.50319 1.03632 0.70016 0.09913  0.01667  -0.07408 316 HOH   A O   
1286 O O   . HOH   J .   ? 0.28944 0.36772 0.28884 -0.07380 0.00551  -0.03356 317 HOH   A O   
1287 O O   . HOH   J .   ? 0.36898 0.38443 0.30449 -0.03500 0.02149  -0.02586 318 HOH   A O   
1288 O O   . HOH   J .   ? 0.52947 0.55287 0.38800 -0.05887 -0.04135 0.06210  319 HOH   A O   
1289 O O   . HOH   J .   ? 0.51533 0.51107 0.43582 -0.05012 -0.02937 0.04983  320 HOH   A O   
1290 O O   . HOH   J .   ? 0.31947 0.53101 0.50283 -0.08634 -0.08303 0.04842  321 HOH   A O   
1291 O O   . HOH   J .   ? 0.98211 0.51962 0.75401 -0.11937 -0.09275 -0.11409 322 HOH   A O   
1292 O O   . HOH   J .   ? 0.54811 0.44119 0.62639 -0.07732 -0.04292 -0.00087 323 HOH   A O   
1293 O O   . HOH   J .   ? 0.63114 0.61505 0.48699 -0.05590 -0.02171 -0.08108 324 HOH   A O   
1294 O O   . HOH   J .   ? 0.52181 1.10813 0.74927 0.09945  -0.01057 -0.05693 325 HOH   A O   
1295 O O   . HOH   J .   ? 0.47520 0.69447 0.42405 0.09686  0.04657  -0.16974 326 HOH   A O   
1296 O O   . HOH   J .   ? 0.57347 0.86241 0.61075 0.13925  0.04586  -0.15540 327 HOH   A O   
1297 O O   . HOH   J .   ? 0.85408 0.40676 0.65607 -0.05377 -0.04506 -0.01265 328 HOH   A O   
1298 O O   . HOH   J .   ? 0.34552 0.65562 0.45696 0.04491  -0.03763 -0.02963 329 HOH   A O   
1299 O O   . HOH   J .   ? 0.36934 0.32167 0.34920 -0.01189 0.00863  0.02156  330 HOH   A O   
1300 O O   . HOH   J .   ? 0.37349 0.91307 0.51026 0.01583  0.07034  -0.06426 331 HOH   A O   
1301 O O   . HOH   J .   ? 0.51230 0.56624 0.45471 -0.06594 -0.05176 -0.01030 332 HOH   A O   
1302 O O   . HOH   J .   ? 0.56898 0.77995 0.62518 -0.15684 0.01000  -0.02188 333 HOH   A O   
1303 O O   . HOH   J .   ? 0.38550 0.42813 0.42111 -0.03088 0.03708  0.01947  334 HOH   A O   
1304 O O   . HOH   J .   ? 0.38573 0.41108 0.42877 -0.08104 -0.03921 -0.01847 335 HOH   A O   
1305 O O   . HOH   J .   ? 0.26863 0.41731 0.32593 -0.00721 0.01216  -0.04993 336 HOH   A O   
1306 O O   . HOH   J .   ? 0.65494 0.49209 0.51888 -0.13655 -0.04608 -0.08646 337 HOH   A O   
1307 O O   . HOH   J .   ? 0.29079 0.38946 0.33981 0.00750  0.00751  -0.05468 338 HOH   A O   
1308 O O   . HOH   J .   ? 0.33118 0.47078 0.32942 -0.01734 -0.02260 -0.01213 339 HOH   A O   
1309 O O   . HOH   J .   ? 0.33393 0.42552 0.22239 -0.02355 -0.01769 -0.02898 340 HOH   A O   
1310 O O   . HOH   J .   ? 0.34353 0.65789 0.44052 0.06386  0.03269  -0.09048 341 HOH   A O   
1311 O O   . HOH   J .   ? 0.38050 0.87523 0.48396 -0.09163 0.07670  -0.01408 342 HOH   A O   
1312 O O   . HOH   J .   ? 0.57325 0.52710 0.55841 0.01894  0.00191  0.03260  343 HOH   A O   
1313 O O   . HOH   J .   ? 0.25822 0.32905 0.37591 -0.08030 0.00859  0.04773  344 HOH   A O   
1314 O O   . HOH   J .   ? 0.40393 0.41272 0.40853 -0.05998 -0.00562 -0.04173 345 HOH   A O   
1315 O O   . HOH   J .   ? 0.30105 0.34594 0.36401 -0.05720 0.03125  0.05181  346 HOH   A O   
1316 O O   . HOH   J .   ? 0.84227 0.59746 0.72389 -0.02211 -0.01316 0.02951  347 HOH   A O   
1317 O O   . HOH   J .   ? 0.37903 0.33097 0.28110 -0.03472 0.01760  -0.04904 348 HOH   A O   
1318 O O   . HOH   J .   ? 0.44571 0.53363 0.38916 0.00742  0.01412  -0.12030 349 HOH   A O   
1319 O O   . HOH   J .   ? 0.46720 0.63610 0.53908 0.04234  -0.02172 -0.02552 350 HOH   A O   
1320 O O   . HOH   J .   ? 0.45009 0.48007 0.59242 -0.11999 0.00627  0.11980  351 HOH   A O   
1321 O O   . HOH   J .   ? 0.47380 0.95673 0.64274 0.12549  0.02935  -0.09441 352 HOH   A O   
1322 O O   . HOH   J .   ? 0.50063 0.29117 0.38445 -0.07986 -0.00830 0.04204  353 HOH   A O   
1323 O O   . HOH   J .   ? 0.58356 0.85693 0.63645 -0.07276 -0.04955 -0.04287 354 HOH   A O   
1324 O O   . HOH   J .   ? 0.56257 0.50751 0.61837 -0.16690 -0.19063 -0.10770 355 HOH   A O   
1325 O O   . HOH   J .   ? 0.36632 0.92273 0.48822 -0.02112 0.08255  -0.04539 356 HOH   A O   
1326 O O   . HOH   J .   ? 0.40742 0.41429 0.45386 0.02578  -0.01343 -0.04068 357 HOH   A O   
1327 O O   . HOH   J .   ? 0.62037 0.43286 0.52831 -0.21164 -0.02286 0.03925  358 HOH   A O   
1328 O O   . HOH   J .   ? 0.57633 0.45646 0.51699 0.00302  -0.00364 0.03340  359 HOH   A O   
1329 O O   . HOH   J .   ? 0.44940 0.67435 0.55008 0.07158  -0.01585 -0.04764 360 HOH   A O   
1330 O O   . HOH   J .   ? 0.31213 1.02160 0.58287 -0.00152 -0.02801 -0.03057 361 HOH   A O   
1331 O O   . HOH   J .   ? 0.53257 0.83524 0.60656 0.13278  0.03703  -0.13327 362 HOH   A O   
1332 O O   . HOH   J .   ? 0.49596 0.97953 0.57859 0.09454  0.07876  -0.11243 363 HOH   A O   
1333 O O   . HOH   J .   ? 0.77286 0.87345 0.70496 -0.06809 -0.11005 -0.01396 364 HOH   A O   
1334 O O   . HOH   J .   ? 0.38520 0.40703 0.37673 -0.06780 -0.01243 -0.02033 365 HOH   A O   
1335 O O   . HOH   J .   ? 0.56422 0.56111 0.46152 -0.09282 -0.03142 -0.07650 366 HOH   A O   
1336 O O   . HOH   J .   ? 0.68571 0.57457 0.71375 -0.02727 -0.04483 -0.07048 367 HOH   A O   
1337 O O   . HOH   J .   ? 0.56635 0.63551 0.52100 -0.01077 -0.08328 0.07463  368 HOH   A O   
1338 O O   . HOH   J .   ? 0.41634 0.36683 0.33779 -0.11758 0.01689  0.03294  369 HOH   A O   
1339 O O   . HOH   J .   ? 0.27046 0.51122 0.36049 0.02076  0.01136  -0.05916 370 HOH   A O   
1340 O O   . HOH   J .   ? 0.27704 0.38122 0.40876 -0.08069 -0.02128 0.03640  371 HOH   A O   
1341 O O   . HOH   J .   ? 0.60403 0.63871 0.59317 -0.00872 0.00367  0.06137  372 HOH   A O   
1342 O O   . HOH   J .   ? 0.57653 0.63167 0.52795 -0.07812 -0.08967 -0.04938 373 HOH   A O   
1343 O O   . HOH   J .   ? 0.32743 0.39070 0.42545 -0.07442 -0.00903 0.02405  374 HOH   A O   
1344 O O   . HOH   J .   ? 0.36010 0.57438 0.35646 -0.10252 0.05834  -0.02005 375 HOH   A O   
1345 O O   . HOH   J .   ? 0.42039 0.47202 0.42669 0.05298  0.00169  -0.11910 376 HOH   A O   
1346 O O   . HOH   J .   ? 0.46023 0.84772 0.47242 0.00425  0.08673  -0.08377 377 HOH   A O   
1347 O O   . HOH   J .   ? 0.44077 0.76518 0.47135 -0.14496 0.06867  0.01231  378 HOH   A O   
1348 O O   . HOH   J .   ? 0.58764 0.76717 0.62590 0.10687  0.02114  -0.13210 379 HOH   A O   
1349 O O   . HOH   J .   ? 0.84829 0.70998 0.78899 -0.24027 -0.05254 -0.01208 380 HOH   A O   
1350 O O   . HOH   J .   ? 0.61090 1.00510 0.74452 0.15142  0.02809  -0.11398 381 HOH   A O   
1351 O O   . HOH   J .   ? 0.58685 0.41589 0.50310 0.01476  0.00498  0.00491  382 HOH   A O   
1352 O O   . HOH   J .   ? 0.36359 0.34839 0.38919 -0.06109 -0.01657 -0.04155 383 HOH   A O   
1353 O O   . HOH   J .   ? 0.32735 0.30017 0.36089 -0.00616 -0.01215 -0.05399 384 HOH   A O   
1354 O O   . HOH   J .   ? 0.39675 0.68006 0.66211 -0.12725 -0.10662 0.06506  385 HOH   A O   
1355 O O   . HOH   J .   ? 0.65017 0.63582 0.49519 -0.00042 0.02190  -0.05979 386 HOH   A O   
1356 O O   . HOH   J .   ? 0.41412 0.52219 0.39232 -0.18719 0.03527  0.03557  387 HOH   A O   
1357 O O   . HOH   J .   ? 1.16201 0.85667 0.94154 -0.09498 -0.06467 -0.12933 388 HOH   A O   
1358 O O   . HOH   J .   ? 0.58149 0.92383 0.52196 -0.03990 0.09042  -0.05509 389 HOH   A O   
1359 O O   . HOH   J .   ? 0.38910 0.49198 0.34277 -0.02161 -0.01303 -0.00791 390 HOH   A O   
1360 O O   . HOH   J .   ? 0.48072 0.48839 0.55363 -0.10493 -0.06978 -0.02718 391 HOH   A O   
1361 O O   . HOH   J .   ? 0.55491 0.56520 0.48654 0.02819  0.05811  -0.01828 392 HOH   A O   
1362 O O   . HOH   J .   ? 0.37091 0.41342 0.40334 -0.04300 0.03675  0.03381  393 HOH   A O   
1363 O O   . HOH   J .   ? 0.30810 0.59276 0.39508 -0.09004 -0.01426 -0.04006 394 HOH   A O   
1364 O O   . HOH   J .   ? 0.88296 0.94236 0.68685 -0.03693 -0.07501 -0.13231 395 HOH   A O   
1365 O O   . HOH   J .   ? 0.42195 0.61644 0.44896 -0.05882 -0.02824 -0.03712 396 HOH   A O   
1366 O O   . HOH   J .   ? 0.31357 0.88708 0.49577 -0.04119 0.04406  -0.03610 397 HOH   A O   
1367 O O   . HOH   J .   ? 0.64973 0.71721 0.71142 0.06285  -0.01620 -0.04935 398 HOH   A O   
1368 O O   . HOH   J .   ? 0.47121 0.73530 0.67015 -0.11353 -0.14900 0.03884  399 HOH   A O   
1369 O O   . HOH   J .   ? 0.57210 0.65136 0.59619 0.07854  0.00319  -0.11965 400 HOH   A O   
1370 O O   . HOH   J .   ? 0.48433 0.87001 0.48995 -0.11799 0.09012  0.00928  401 HOH   A O   
1371 O O   . HOH   J .   ? 0.37080 0.56031 0.39306 -0.02722 -0.03127 -0.02486 402 HOH   A O   
1372 O O   . HOH   J .   ? 0.47513 0.56260 0.63879 -0.15485 -0.12041 -0.00023 403 HOH   A O   
1373 O O   . HOH   J .   ? 1.00074 1.11604 1.09323 0.01763  0.01554  0.04622  404 HOH   A O   
1374 O O   . HOH   J .   ? 0.56963 0.59008 0.54328 -0.08654 -0.09524 -0.07182 405 HOH   A O   
1375 O O   . HOH   J .   ? 0.62704 0.52635 0.67425 -0.03275 -0.03430 -0.03427 406 HOH   A O   
1376 O O   . HOH   J .   ? 0.50024 0.52439 0.42243 -0.01788 0.03197  -0.01815 407 HOH   A O   
1377 O O   . HOH   J .   ? 0.72195 0.84085 0.89463 -0.19238 -0.19723 -0.03719 408 HOH   A O   
1378 O O   . HOH   J .   ? 0.80931 0.89121 0.70273 -0.05845 -0.08020 0.00728  409 HOH   A O   
1379 O O   . HOH   J .   ? 1.04760 0.77820 0.94240 -0.24151 -0.08523 -0.04098 410 HOH   A O   
1380 O O   . HOH   J .   ? 0.47141 0.64800 0.43852 -0.15786 0.05715  0.02728  411 HOH   A O   
1381 O O   . HOH   J .   ? 0.65409 0.58696 0.62984 -0.13421 -0.18988 -0.14659 412 HOH   A O   
1382 O O   . HOH   J .   ? 0.44213 0.38178 0.48623 -0.01908 -0.01917 -0.02843 413 HOH   A O   
1383 O O   . HOH   J .   ? 0.31138 0.53072 0.40494 0.05586  -0.00060 -0.06007 414 HOH   A O   
1384 O O   . HOH   J .   ? 1.27677 1.34036 1.20742 -0.10386 -0.17549 -0.09842 415 HOH   A O   
1385 O O   . HOH   J .   ? 0.77566 0.63251 0.64337 -0.04495 -0.02906 0.09649  416 HOH   A O   
1386 O O   . HOH   J .   ? 0.55917 0.64001 0.61952 0.06480  -0.02909 -0.01501 417 HOH   A O   
1387 O O   . HOH   J .   ? 0.43501 0.52800 0.34615 -0.01175 -0.00484 0.00050  418 HOH   A O   
1388 O O   . HOH   J .   ? 0.86044 1.04521 0.91129 -0.12512 -0.21499 -0.03759 419 HOH   A O   
1389 O O   . HOH   J .   ? 0.71787 0.93170 0.86245 0.14362  -0.00116 0.07617  420 HOH   A O   
1390 O O   . HOH   J .   ? 0.58546 0.86836 0.79829 -0.01856 -0.05431 0.08004  421 HOH   A O   
1391 O O   . HOH   J .   ? 0.49221 0.79635 0.50399 -0.11904 0.07310  -0.00536 422 HOH   A O   
1392 O O   . HOH   J .   ? 0.76553 0.82837 0.71950 0.05804  0.00476  -0.15431 423 HOH   A O   
1393 O O   . HOH   J .   ? 0.42690 0.72438 0.49406 0.00021  -0.05668 -0.02281 424 HOH   A O   
1394 O O   . HOH   J .   ? 0.50564 0.69349 0.43546 -0.02515 0.04861  -0.08271 425 HOH   A O   
1395 O O   . HOH   J .   ? 0.51444 0.81417 0.73850 0.00643  -0.02059 0.08674  426 HOH   A O   
1396 O O   . HOH   J .   ? 0.45144 0.39940 0.47410 0.01010  -0.02245 -0.07930 427 HOH   A O   
1397 O O   . HOH   J .   ? 0.90382 0.85739 0.71550 -0.04255 -0.02612 -0.10068 428 HOH   A O   
1398 O O   . HOH   J .   ? 0.93261 0.73707 0.84845 -0.23186 -0.06765 -0.03382 429 HOH   A O   
1399 O O   . HOH   J .   ? 0.48763 0.46341 0.37103 -0.01189 0.02611  -0.04812 430 HOH   A O   
1400 O O   . HOH   J .   ? 0.53523 0.92091 0.66747 -0.11857 -0.00984 -0.03362 431 HOH   A O   
1401 O O   . HOH   J .   ? 0.58134 0.37700 0.45118 -0.09773 -0.01058 0.06859  432 HOH   A O   
1402 O O   . HOH   J .   ? 0.58644 0.62226 0.43977 0.00972  0.03438  -0.03278 433 HOH   A O   
1403 O O   . HOH   J .   ? 0.65968 0.69879 0.71897 0.06982  -0.02774 -0.02849 434 HOH   A O   
1404 O O   . HOH   J .   ? 0.51164 1.04481 0.67558 -0.14658 0.04179  0.00415  435 HOH   A O   
1405 O O   . HOH   J .   ? 0.41403 0.94750 0.58599 -0.10676 0.03456  -0.01581 436 HOH   A O   
1406 O O   . HOH   J .   ? 0.51175 0.66669 0.67614 -0.07292 0.01259  0.06931  437 HOH   A O   
1407 O O   . HOH   J .   ? 0.91334 0.57270 0.65791 -0.05390 -0.05955 -0.14702 438 HOH   A O   
1408 O O   . HOH   J .   ? 0.47827 0.74556 0.68361 -0.00253 0.00055  0.08062  439 HOH   A O   
1409 O O   . HOH   J .   ? 0.60546 0.65542 0.57449 0.04498  0.06840  -0.00071 440 HOH   A O   
1410 O O   . HOH   J .   ? 0.34997 0.45441 0.50836 -0.10186 -0.02315 0.04743  441 HOH   A O   
1411 O O   . HOH   J .   ? 0.53509 0.83349 0.61668 -0.09972 -0.03653 -0.04353 442 HOH   A O   
1412 O O   . HOH   J .   ? 0.45463 0.41908 0.49444 0.01769  -0.01869 -0.05088 443 HOH   A O   
1413 O O   . HOH   J .   ? 0.47017 0.44778 0.48038 0.03871  -0.01693 -0.10692 444 HOH   A O   
1414 O O   . HOH   J .   ? 0.58236 0.43981 0.71208 -0.13386 -0.06404 0.06086  445 HOH   A O   
1415 O O   . HOH   J .   ? 0.64795 0.43299 0.53473 -0.03788 -0.01346 0.04618  446 HOH   A O   
1416 O O   . HOH   J .   ? 0.48514 1.02955 0.66618 0.14746  0.03522  -0.09736 447 HOH   A O   
1417 O O   . HOH   J .   ? 0.57980 0.60912 0.55986 0.06830  -0.00486 -0.14659 448 HOH   A O   
1418 O O   . HOH   J .   ? 0.67233 0.57584 0.52358 -0.16923 0.01180  0.11181  449 HOH   A O   
1419 O O   . HOH   J .   ? 0.93648 0.75367 0.86144 0.10041  -0.02413 0.05091  450 HOH   A O   
1420 O O   . HOH   J .   ? 0.66153 0.97547 0.88522 -0.08465 -0.13766 0.06197  451 HOH   A O   
1421 O O   . HOH   J .   ? 0.35575 0.39045 0.39227 -0.04405 0.03271  0.01865  452 HOH   A O   
1422 O O   . HOH   J .   ? 0.64845 0.60703 0.51636 -0.14106 0.01717  0.08294  453 HOH   A O   
1423 O O   . HOH   J .   ? 0.43338 0.68249 0.68439 -0.16936 -0.16397 0.02777  454 HOH   A O   
1424 O O   . HOH   K .   ? 0.74262 0.88577 0.76991 -0.16210 0.01254  -0.01721 101 HOH   B O   
1425 O O   . HOH   K .   ? 0.67233 0.62025 0.63322 -0.24546 -0.01301 0.04386  102 HOH   B O   
1426 O O   . HOH   K .   ? 0.73940 0.88056 0.76594 -0.19260 0.00842  0.00002  103 HOH   B O   
# 
