data_8VJF
# 
_entry.id   8VJF 
# 
_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   8VJF         pdb_00008vjf 10.2210/pdb8vjf/pdb 
WWPDB D_1000280204 ?            ?                   
# 
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                        8VJF 
_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           Y 
# 
_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 158D9'                                        502.586   1   ?       ?    ? ? 
3 non-polymer syn 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL                  326.383   1   ?       ?    ? ? 
4 non-polymer syn 2,3-DIHYDROXY-1,4-DITHIOBUTANE                           154.251   1   ?       ?    ? ? 
5 non-polymer nat 'SULFATE ION'                                            96.063    3   ?       ?    ? ? 
6 water       nat water                                                    18.015    149 ?       ?    ? ? 
# 
_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)(MTY)(YCP)W(NH2)' XYXWX B ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 3,6,9,12,15,18-HEXAOXAICOSANE-1,20-DIOL P33 
4 2,3-DIHYDROXY-1,4-DITHIOBUTANE          DTT 
5 'SULFATE ION'                           SO4 
6 water                                   HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   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   MTY n 
2 3   YCP n 
2 4   TRP 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 
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 
MTY 'L-peptide linking' n META-TYROSINE                           ?                              'C9 H11 N O3'    181.189 
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   MTY 2   2   201 MTY INH B . n 
B 2 3   YCP 3   3   201 YCP INH B . n 
B 2 4   TRP 4   4   201 TRP 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 MTY ? ? MTY ? ? '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 P33 1   201 206 P33 PEG A . 
D 4 DTT 1   202 207 DTT DTT A . 
E 5 SO4 1   203 2   SO4 SO4 A . 
F 5 SO4 1   204 4   SO4 SO4 A . 
G 5 SO4 1   205 5   SO4 SO4 A . 
H 6 HOH 1   301 197 HOH HOH A . 
H 6 HOH 2   302 62  HOH HOH A . 
H 6 HOH 3   303 115 HOH HOH A . 
H 6 HOH 4   304 5   HOH HOH A . 
H 6 HOH 5   305 85  HOH HOH A . 
H 6 HOH 6   306 18  HOH HOH A . 
H 6 HOH 7   307 121 HOH HOH A . 
H 6 HOH 8   308 212 HOH HOH A . 
H 6 HOH 9   309 205 HOH HOH A . 
H 6 HOH 10  310 55  HOH HOH A . 
H 6 HOH 11  311 37  HOH HOH A . 
H 6 HOH 12  312 91  HOH HOH A . 
H 6 HOH 13  313 2   HOH HOH A . 
H 6 HOH 14  314 177 HOH HOH A . 
H 6 HOH 15  315 89  HOH HOH A . 
H 6 HOH 16  316 203 HOH HOH A . 
H 6 HOH 17  317 46  HOH HOH A . 
H 6 HOH 18  318 214 HOH HOH A . 
H 6 HOH 19  319 103 HOH HOH A . 
H 6 HOH 20  320 77  HOH HOH A . 
H 6 HOH 21  321 21  HOH HOH A . 
H 6 HOH 22  322 68  HOH HOH A . 
H 6 HOH 23  323 99  HOH HOH A . 
H 6 HOH 24  324 172 HOH HOH A . 
H 6 HOH 25  325 23  HOH HOH A . 
H 6 HOH 26  326 195 HOH HOH A . 
H 6 HOH 27  327 17  HOH HOH A . 
H 6 HOH 28  328 66  HOH HOH A . 
H 6 HOH 29  329 111 HOH HOH A . 
H 6 HOH 30  330 33  HOH HOH A . 
H 6 HOH 31  331 86  HOH HOH A . 
H 6 HOH 32  332 56  HOH HOH A . 
H 6 HOH 33  333 114 HOH HOH A . 
H 6 HOH 34  334 79  HOH HOH A . 
H 6 HOH 35  335 28  HOH HOH A . 
H 6 HOH 36  336 47  HOH HOH A . 
H 6 HOH 37  337 109 HOH HOH A . 
H 6 HOH 38  338 180 HOH HOH A . 
H 6 HOH 39  339 13  HOH HOH A . 
H 6 HOH 40  340 57  HOH HOH A . 
H 6 HOH 41  341 151 HOH HOH A . 
H 6 HOH 42  342 139 HOH HOH A . 
H 6 HOH 43  343 204 HOH HOH A . 
H 6 HOH 44  344 58  HOH HOH A . 
H 6 HOH 45  345 36  HOH HOH A . 
H 6 HOH 46  346 96  HOH HOH A . 
H 6 HOH 47  347 74  HOH HOH A . 
H 6 HOH 48  348 171 HOH HOH A . 
H 6 HOH 49  349 61  HOH HOH A . 
H 6 HOH 50  350 10  HOH HOH A . 
H 6 HOH 51  351 88  HOH HOH A . 
H 6 HOH 52  352 11  HOH HOH A . 
H 6 HOH 53  353 202 HOH HOH A . 
H 6 HOH 54  354 71  HOH HOH A . 
H 6 HOH 55  355 32  HOH HOH A . 
H 6 HOH 56  356 25  HOH HOH A . 
H 6 HOH 57  357 14  HOH HOH A . 
H 6 HOH 58  358 175 HOH HOH A . 
H 6 HOH 59  359 60  HOH HOH A . 
H 6 HOH 60  360 34  HOH HOH A . 
H 6 HOH 61  361 170 HOH HOH A . 
H 6 HOH 62  362 207 HOH HOH A . 
H 6 HOH 63  363 188 HOH HOH A . 
H 6 HOH 64  364 4   HOH HOH A . 
H 6 HOH 65  365 94  HOH HOH A . 
H 6 HOH 66  366 53  HOH HOH A . 
H 6 HOH 67  367 15  HOH HOH A . 
H 6 HOH 68  368 6   HOH HOH A . 
H 6 HOH 69  369 176 HOH HOH A . 
H 6 HOH 70  370 98  HOH HOH A . 
H 6 HOH 71  371 160 HOH HOH A . 
H 6 HOH 72  372 107 HOH HOH A . 
H 6 HOH 73  373 174 HOH HOH A . 
H 6 HOH 74  374 51  HOH HOH A . 
H 6 HOH 75  375 141 HOH HOH A . 
H 6 HOH 76  376 102 HOH HOH A . 
H 6 HOH 77  377 100 HOH HOH A . 
H 6 HOH 78  378 154 HOH HOH A . 
H 6 HOH 79  379 194 HOH HOH A . 
H 6 HOH 80  380 134 HOH HOH A . 
H 6 HOH 81  381 16  HOH HOH A . 
H 6 HOH 82  382 20  HOH HOH A . 
H 6 HOH 83  383 196 HOH HOH A . 
H 6 HOH 84  384 152 HOH HOH A . 
H 6 HOH 85  385 110 HOH HOH A . 
H 6 HOH 86  386 125 HOH HOH A . 
H 6 HOH 87  387 104 HOH HOH A . 
H 6 HOH 88  388 213 HOH HOH A . 
H 6 HOH 89  389 12  HOH HOH A . 
H 6 HOH 90  390 65  HOH HOH A . 
H 6 HOH 91  391 73  HOH HOH A . 
H 6 HOH 92  392 209 HOH HOH A . 
H 6 HOH 93  393 35  HOH HOH A . 
H 6 HOH 94  394 191 HOH HOH A . 
H 6 HOH 95  395 155 HOH HOH A . 
H 6 HOH 96  396 161 HOH HOH A . 
H 6 HOH 97  397 206 HOH HOH A . 
H 6 HOH 98  398 101 HOH HOH A . 
H 6 HOH 99  399 116 HOH HOH A . 
H 6 HOH 100 400 95  HOH HOH A . 
H 6 HOH 101 401 165 HOH HOH A . 
H 6 HOH 102 402 148 HOH HOH A . 
H 6 HOH 103 403 105 HOH HOH A . 
H 6 HOH 104 404 190 HOH HOH A . 
H 6 HOH 105 405 90  HOH HOH A . 
H 6 HOH 106 406 9   HOH HOH A . 
H 6 HOH 107 407 182 HOH HOH A . 
H 6 HOH 108 408 198 HOH HOH A . 
H 6 HOH 109 409 156 HOH HOH A . 
H 6 HOH 110 410 124 HOH HOH A . 
H 6 HOH 111 411 76  HOH HOH A . 
H 6 HOH 112 412 106 HOH HOH A . 
H 6 HOH 113 413 164 HOH HOH A . 
H 6 HOH 114 414 138 HOH HOH A . 
H 6 HOH 115 415 169 HOH HOH A . 
H 6 HOH 116 416 29  HOH HOH A . 
H 6 HOH 117 417 52  HOH HOH A . 
H 6 HOH 118 418 211 HOH HOH A . 
H 6 HOH 119 419 49  HOH HOH A . 
H 6 HOH 120 420 183 HOH HOH A . 
H 6 HOH 121 421 22  HOH HOH A . 
H 6 HOH 122 422 97  HOH HOH A . 
H 6 HOH 123 423 130 HOH HOH A . 
H 6 HOH 124 424 44  HOH HOH A . 
H 6 HOH 125 425 8   HOH HOH A . 
H 6 HOH 126 426 78  HOH HOH A . 
H 6 HOH 127 427 162 HOH HOH A . 
H 6 HOH 128 428 123 HOH HOH A . 
H 6 HOH 129 429 137 HOH HOH A . 
H 6 HOH 130 430 108 HOH HOH A . 
H 6 HOH 131 431 45  HOH HOH A . 
H 6 HOH 132 432 146 HOH HOH A . 
H 6 HOH 133 433 153 HOH HOH A . 
H 6 HOH 134 434 179 HOH HOH A . 
H 6 HOH 135 435 75  HOH HOH A . 
H 6 HOH 136 436 64  HOH HOH A . 
H 6 HOH 137 437 59  HOH HOH A . 
H 6 HOH 138 438 112 HOH HOH A . 
H 6 HOH 139 439 122 HOH HOH A . 
H 6 HOH 140 440 185 HOH HOH A . 
H 6 HOH 141 441 199 HOH HOH A . 
H 6 HOH 142 442 144 HOH HOH A . 
H 6 HOH 143 443 136 HOH HOH A . 
H 6 HOH 144 444 143 HOH HOH A . 
H 6 HOH 145 445 178 HOH HOH A . 
H 6 HOH 146 446 184 HOH HOH A . 
H 6 HOH 147 447 210 HOH HOH A . 
I 6 HOH 1   101 70  HOH HOH B . 
I 6 HOH 2   102 67  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                     8VJF 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     68.867 
_cell.length_a_esd                 ? 
_cell.length_b                     68.867 
_cell.length_b_esd                 ? 
_cell.length_c                     78.738 
_cell.length_c_esd                 ? 
_cell.volume                       323394.247 
_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                         8VJF 
_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                   8VJF 
_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             2.65 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          53.55 
_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                          24.74 
_reflns.entry_id                                       8VJF 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.70 
_reflns.d_resolution_low                               47.54 
_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                                     24276 
_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                           100.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                9.5 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          25.9 
_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                                0.028 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.999 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.082 
_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                           2.4 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             1284 
_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                               0.356 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  ? 
_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                                  1.056 
_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                               32.53 
_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                                 8VJF 
_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                             47.54 
_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                     24131 
_refine.ls_number_reflns_R_free                  1214 
_refine.ls_number_reflns_R_work                  22917 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.44 
_refine.ls_percent_reflns_R_free                 5.03 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_obs                          0.2165 
_refine.ls_R_factor_R_free                       0.2565 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.2145 
_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                          1.33 
_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                 27.2910 
_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                            0.2184 
_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                        47.54 
_refine_hist.number_atoms_solvent             149 
_refine_hist.number_atoms_total               1387 
_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         83 
_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' ? 0.0071  ? 1270 ? f_bond_d           ? ? 
'X-RAY DIFFRACTION' ? 0.9350  ? 1699 ? f_angle_d          ? ? 
'X-RAY DIFFRACTION' ? 0.0509  ? 168  ? f_chiral_restr     ? ? 
'X-RAY DIFFRACTION' ? 0.0077  ? 216  ? f_plane_restr      ? ? 
'X-RAY DIFFRACTION' ? 15.7001 ? 481  ? 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  . . 130 2559 99.93  . . . . 0.2574 . . . . . . . . . . . 0.2977 
'X-RAY DIFFRACTION' 1.77 1.85  . . 131 2496 99.96  . . . . 0.2263 . . . . . . . . . . . 0.2799 
'X-RAY DIFFRACTION' 1.85 1.95  . . 140 2452 97.19  . . . . 0.3087 . . . . . . . . . . . 0.3820 
'X-RAY DIFFRACTION' 1.95 2.07  . . 129 2538 99.93  . . . . 0.2310 . . . . . . . . . . . 0.2602 
'X-RAY DIFFRACTION' 2.07 2.23  . . 140 2519 99.55  . . . . 0.2184 . . . . . . . . . . . 0.2707 
'X-RAY DIFFRACTION' 2.23 2.45  . . 130 2508 98.76  . . . . 0.2488 . . . . . . . . . . . 0.2776 
'X-RAY DIFFRACTION' 2.45 2.81  . . 133 2557 99.96  . . . . 0.2314 . . . . . . . . . . . 0.2678 
'X-RAY DIFFRACTION' 2.81 3.53  . . 141 2586 100.00 . . . . 0.2117 . . . . . . . . . . . 0.2356 
'X-RAY DIFFRACTION' 3.54 47.54 . . 140 2702 99.72  . . . . 0.1781 . . . . . . . . . . . 0.2314 
# 
_struct.entry_id                     8VJF 
_struct.title                        'Human R14A Pin1 covalently bound to inhibitor 158D9' 
_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        8VJF 
_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 4 ? 
E N N 5 ? 
F N N 5 ? 
G N N 5 ? 
H N N 6 ? 
I 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 8VJF       8VJF   ? 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 8VJF A 4 ? 166 ? Q13526 1 ? 163 ? 1 163 
2 2 8VJF B 1 ? 5   ? 8VJF   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 8VJF GLY A 1  ? UNP Q13526 ?   ?  'expression tag'      -2 1 
1 8VJF SER A 2  ? UNP Q13526 ?   ?  'expression tag'      -1 2 
1 8VJF HIS A 3  ? UNP Q13526 ?   ?  'expression tag'      0  3 
1 8VJF 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)' 2050 ? 
1 MORE         -56  ? 
1 'SSA (A^2)'  8530 ? 
# 
_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 
# 
_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 ? ? ? ? ? ? ? 1.739 ? ? 
covale2 covale both ? B ACE 1   C  ? ? ? 1_555 B MTY 2 N   ? ? B ACE 1   B MTY 2 1_555 ? ? ? ? ? ? ? 1.459 ? ? 
covale3 covale both ? B MTY 2   C  ? ? ? 1_555 B YCP 3 N   ? ? B MTY 2   B YCP 3 1_555 ? ? ? ? ? ? ? 1.455 ? ? 
covale4 covale both ? B YCP 3   C  ? ? ? 1_555 B TRP 4 N   ? ? B YCP 3   B TRP 4 1_555 ? ? ? ? ? ? ? 1.479 ? ? 
covale5 covale both ? B TRP 4   C  ? ? ? 1_555 B NH2 5 N   ? ? B TRP 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 MTY B 2   ? .   . . . MTY B 2   ? 1_555 .   . . . .     .  .   PHE 1  MTY Hydroxylation 'Named protein modification' 
2 YCP B 3   ? .   . . . YCP B 3   ? 1_555 .   . . . .     .  .   ?   1  YCP None          'Non-standard residue'       
3 ACE B 1   ? MTY B 2 ? ACE B 1   ? 1_555 MTY B 2 ? 1_555 .  .   MTY 42 ACE None          'Terminal acetylation'       
4 NH2 B 5   ? TRP B 4 ? NH2 B 5   ? 1_555 TRP B 4 ? 1_555 .  .   TRP 16 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 GLU A 15  ? N GLU A 12  O PHE A 28  ? O PHE A 25  
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                   8VJF 
_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_rmsd_bond.id                        1 
_pdbx_validate_rmsd_bond.PDB_model_num             1 
_pdbx_validate_rmsd_bond.auth_atom_id_1            C 
_pdbx_validate_rmsd_bond.auth_asym_id_1            B 
_pdbx_validate_rmsd_bond.auth_comp_id_1            YCP 
_pdbx_validate_rmsd_bond.auth_seq_id_1             3 
_pdbx_validate_rmsd_bond.PDB_ins_code_1            ? 
_pdbx_validate_rmsd_bond.label_alt_id_1            ? 
_pdbx_validate_rmsd_bond.auth_atom_id_2            N 
_pdbx_validate_rmsd_bond.auth_asym_id_2            B 
_pdbx_validate_rmsd_bond.auth_comp_id_2            TRP 
_pdbx_validate_rmsd_bond.auth_seq_id_2             4 
_pdbx_validate_rmsd_bond.PDB_ins_code_2            ? 
_pdbx_validate_rmsd_bond.label_alt_id_2            ? 
_pdbx_validate_rmsd_bond.bond_value                1.479 
_pdbx_validate_rmsd_bond.bond_target_value         1.336 
_pdbx_validate_rmsd_bond.bond_deviation            0.143 
_pdbx_validate_rmsd_bond.bond_standard_deviation   0.023 
_pdbx_validate_rmsd_bond.linker_flag               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             -100.68 
_pdbx_validate_torsion.psi             55.82 
# 
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         29.5301251689 
_pdbx_refine_tls.origin_y         -21.9712913008 
_pdbx_refine_tls.origin_z         11.7247958929 
_pdbx_refine_tls.T[1][1]          0.183714716915 
_pdbx_refine_tls.T[1][1]_esd      ? 
_pdbx_refine_tls.T[1][2]          -0.0649012620219 
_pdbx_refine_tls.T[1][2]_esd      ? 
_pdbx_refine_tls.T[1][3]          0.017316759331 
_pdbx_refine_tls.T[1][3]_esd      ? 
_pdbx_refine_tls.T[2][2]          0.185397769453 
_pdbx_refine_tls.T[2][2]_esd      ? 
_pdbx_refine_tls.T[2][3]          -0.00110994696762 
_pdbx_refine_tls.T[2][3]_esd      ? 
_pdbx_refine_tls.T[3][3]          0.138834756348 
_pdbx_refine_tls.T[3][3]_esd      ? 
_pdbx_refine_tls.L[1][1]          2.54687464037 
_pdbx_refine_tls.L[1][1]_esd      ? 
_pdbx_refine_tls.L[1][2]          -0.430951869566 
_pdbx_refine_tls.L[1][2]_esd      ? 
_pdbx_refine_tls.L[1][3]          0.74324004895 
_pdbx_refine_tls.L[1][3]_esd      ? 
_pdbx_refine_tls.L[2][2]          1.57829666265 
_pdbx_refine_tls.L[2][2]_esd      ? 
_pdbx_refine_tls.L[2][3]          -0.27843407103 
_pdbx_refine_tls.L[2][3]_esd      ? 
_pdbx_refine_tls.L[3][3]          2.81334485038 
_pdbx_refine_tls.L[3][3]_esd      ? 
_pdbx_refine_tls.S[1][1]          0.00230372814715 
_pdbx_refine_tls.S[1][1]_esd      ? 
_pdbx_refine_tls.S[1][2]          0.123587168825 
_pdbx_refine_tls.S[1][2]_esd      ? 
_pdbx_refine_tls.S[1][3]          -0.000541646241558 
_pdbx_refine_tls.S[1][3]_esd      ? 
_pdbx_refine_tls.S[2][1]          -0.0314403293145 
_pdbx_refine_tls.S[2][1]_esd      ? 
_pdbx_refine_tls.S[2][2]          0.0446501944381 
_pdbx_refine_tls.S[2][2]_esd      ? 
_pdbx_refine_tls.S[2][3]          -0.0252950964746 
_pdbx_refine_tls.S[2][3]_esd      ? 
_pdbx_refine_tls.S[3][1]          -0.200538197728 
_pdbx_refine_tls.S[3][1]_esd      ? 
_pdbx_refine_tls.S[3][2]          0.217782971972 
_pdbx_refine_tls.S[3][2]_esd      ? 
_pdbx_refine_tls.S[3][3]          -0.0518659211239 
_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   H 
_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     5 
_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 
ACE C    C N N 1   
ACE O    O N N 2   
ACE CH3  C N N 3   
ACE H    H N N 4   
ACE H1   H N N 5   
ACE H2   H N N 6   
ACE H3   H N N 7   
ALA N    N N N 8   
ALA CA   C N S 9   
ALA C    C N N 10  
ALA O    O N N 11  
ALA CB   C N N 12  
ALA OXT  O N N 13  
ALA H    H N N 14  
ALA H2   H N N 15  
ALA HA   H N N 16  
ALA HB1  H N N 17  
ALA HB2  H N N 18  
ALA HB3  H N N 19  
ALA HXT  H N N 20  
ARG N    N N N 21  
ARG CA   C N S 22  
ARG C    C N N 23  
ARG O    O N N 24  
ARG CB   C N N 25  
ARG CG   C N N 26  
ARG CD   C N N 27  
ARG NE   N N N 28  
ARG CZ   C N N 29  
ARG NH1  N N N 30  
ARG NH2  N N N 31  
ARG OXT  O N N 32  
ARG H    H N N 33  
ARG H2   H N N 34  
ARG HA   H N N 35  
ARG HB2  H N N 36  
ARG HB3  H N N 37  
ARG HG2  H N N 38  
ARG HG3  H N N 39  
ARG HD2  H N N 40  
ARG HD3  H N N 41  
ARG HE   H N N 42  
ARG HH11 H N N 43  
ARG HH12 H N N 44  
ARG HH21 H N N 45  
ARG HH22 H N N 46  
ARG HXT  H N N 47  
ASN N    N N N 48  
ASN CA   C N S 49  
ASN C    C N N 50  
ASN O    O N N 51  
ASN CB   C N N 52  
ASN CG   C N N 53  
ASN OD1  O N N 54  
ASN ND2  N N N 55  
ASN OXT  O N N 56  
ASN H    H N N 57  
ASN H2   H N N 58  
ASN HA   H N N 59  
ASN HB2  H N N 60  
ASN HB3  H N N 61  
ASN HD21 H N N 62  
ASN HD22 H N N 63  
ASN HXT  H N N 64  
ASP N    N N N 65  
ASP CA   C N S 66  
ASP C    C N N 67  
ASP O    O N N 68  
ASP CB   C N N 69  
ASP CG   C N N 70  
ASP OD1  O N N 71  
ASP OD2  O N N 72  
ASP OXT  O N N 73  
ASP H    H N N 74  
ASP H2   H N N 75  
ASP HA   H N N 76  
ASP HB2  H N N 77  
ASP HB3  H N N 78  
ASP HD2  H N N 79  
ASP HXT  H N N 80  
CYS N    N N N 81  
CYS CA   C N R 82  
CYS C    C N N 83  
CYS O    O N N 84  
CYS CB   C N N 85  
CYS SG   S N N 86  
CYS OXT  O N N 87  
CYS H    H N N 88  
CYS H2   H N N 89  
CYS HA   H N N 90  
CYS HB2  H N N 91  
CYS HB3  H N N 92  
CYS HG   H N N 93  
CYS HXT  H N N 94  
DTT S1   S N N 95  
DTT C1   C N N 96  
DTT C2   C N R 97  
DTT O2   O N N 98  
DTT C3   C N R 99  
DTT O3   O N N 100 
DTT C4   C N N 101 
DTT S4   S N N 102 
DTT HS1  H N N 103 
DTT H11  H N N 104 
DTT H12  H N N 105 
DTT H2   H N N 106 
DTT HO2  H N N 107 
DTT H3   H N N 108 
DTT HO3  H N N 109 
DTT H41  H N N 110 
DTT H42  H N N 111 
DTT HS2  H N N 112 
GLN N    N N N 113 
GLN CA   C N S 114 
GLN C    C N N 115 
GLN O    O N N 116 
GLN CB   C N N 117 
GLN CG   C N N 118 
GLN CD   C N N 119 
GLN OE1  O N N 120 
GLN NE2  N N N 121 
GLN OXT  O N N 122 
GLN H    H N N 123 
GLN H2   H N N 124 
GLN HA   H N N 125 
GLN HB2  H N N 126 
GLN HB3  H N N 127 
GLN HG2  H N N 128 
GLN HG3  H N N 129 
GLN HE21 H N N 130 
GLN HE22 H N N 131 
GLN HXT  H N N 132 
GLU N    N N N 133 
GLU CA   C N S 134 
GLU C    C N N 135 
GLU O    O N N 136 
GLU CB   C N N 137 
GLU CG   C N N 138 
GLU CD   C N N 139 
GLU OE1  O N N 140 
GLU OE2  O N N 141 
GLU OXT  O N N 142 
GLU H    H N N 143 
GLU H2   H N N 144 
GLU HA   H N N 145 
GLU HB2  H N N 146 
GLU HB3  H N N 147 
GLU HG2  H N N 148 
GLU HG3  H N N 149 
GLU HE2  H N N 150 
GLU HXT  H N N 151 
GLY N    N N N 152 
GLY CA   C N N 153 
GLY C    C N N 154 
GLY O    O N N 155 
GLY OXT  O N N 156 
GLY H    H N N 157 
GLY H2   H N N 158 
GLY HA2  H N N 159 
GLY HA3  H N N 160 
GLY HXT  H N N 161 
HIS N    N N N 162 
HIS CA   C N S 163 
HIS C    C N N 164 
HIS O    O N N 165 
HIS CB   C N N 166 
HIS CG   C Y N 167 
HIS ND1  N Y N 168 
HIS CD2  C Y N 169 
HIS CE1  C Y N 170 
HIS NE2  N Y N 171 
HIS OXT  O N N 172 
HIS H    H N N 173 
HIS H2   H N N 174 
HIS HA   H N N 175 
HIS HB2  H N N 176 
HIS HB3  H N N 177 
HIS HD1  H N N 178 
HIS HD2  H N N 179 
HIS HE1  H N N 180 
HIS HE2  H N N 181 
HIS HXT  H N N 182 
HOH O    O N N 183 
HOH H1   H N N 184 
HOH H2   H N N 185 
ILE N    N N N 186 
ILE CA   C N S 187 
ILE C    C N N 188 
ILE O    O N N 189 
ILE CB   C N S 190 
ILE CG1  C N N 191 
ILE CG2  C N N 192 
ILE CD1  C N N 193 
ILE OXT  O N N 194 
ILE H    H N N 195 
ILE H2   H N N 196 
ILE HA   H N N 197 
ILE HB   H N N 198 
ILE HG12 H N N 199 
ILE HG13 H N N 200 
ILE HG21 H N N 201 
ILE HG22 H N N 202 
ILE HG23 H N N 203 
ILE HD11 H N N 204 
ILE HD12 H N N 205 
ILE HD13 H N N 206 
ILE HXT  H N N 207 
LEU N    N N N 208 
LEU CA   C N S 209 
LEU C    C N N 210 
LEU O    O N N 211 
LEU CB   C N N 212 
LEU CG   C N N 213 
LEU CD1  C N N 214 
LEU CD2  C N N 215 
LEU OXT  O N N 216 
LEU H    H N N 217 
LEU H2   H N N 218 
LEU HA   H N N 219 
LEU HB2  H N N 220 
LEU HB3  H N N 221 
LEU HG   H N N 222 
LEU HD11 H N N 223 
LEU HD12 H N N 224 
LEU HD13 H N N 225 
LEU HD21 H N N 226 
LEU HD22 H N N 227 
LEU HD23 H N N 228 
LEU HXT  H N N 229 
LYS N    N N N 230 
LYS CA   C N S 231 
LYS C    C N N 232 
LYS O    O N N 233 
LYS CB   C N N 234 
LYS CG   C N N 235 
LYS CD   C N N 236 
LYS CE   C N N 237 
LYS NZ   N N N 238 
LYS OXT  O N N 239 
LYS H    H N N 240 
LYS H2   H N N 241 
LYS HA   H N N 242 
LYS HB2  H N N 243 
LYS HB3  H N N 244 
LYS HG2  H N N 245 
LYS HG3  H N N 246 
LYS HD2  H N N 247 
LYS HD3  H N N 248 
LYS HE2  H N N 249 
LYS HE3  H N N 250 
LYS HZ1  H N N 251 
LYS HZ2  H N N 252 
LYS HZ3  H N N 253 
LYS HXT  H N N 254 
MET N    N N N 255 
MET CA   C N S 256 
MET C    C N N 257 
MET O    O N N 258 
MET CB   C N N 259 
MET CG   C N N 260 
MET SD   S N N 261 
MET CE   C N N 262 
MET OXT  O N N 263 
MET H    H N N 264 
MET H2   H N N 265 
MET HA   H N N 266 
MET HB2  H N N 267 
MET HB3  H N N 268 
MET HG2  H N N 269 
MET HG3  H N N 270 
MET HE1  H N N 271 
MET HE2  H N N 272 
MET HE3  H N N 273 
MET HXT  H N N 274 
MTY N    N N N 275 
MTY CA   C N S 276 
MTY CB   C N N 277 
MTY CG   C Y N 278 
MTY CD1  C Y N 279 
MTY CE1  C Y N 280 
MTY CD2  C Y N 281 
MTY CE2  C Y N 282 
MTY CZ   C Y N 283 
MTY OH   O N N 284 
MTY C    C N N 285 
MTY O    O N N 286 
MTY OXT  O N N 287 
MTY H    H N N 288 
MTY H2   H N N 289 
MTY HA   H N N 290 
MTY HB2  H N N 291 
MTY HB3  H N N 292 
MTY HD1  H N N 293 
MTY HE1  H N N 294 
MTY HD2  H N N 295 
MTY HZ   H N N 296 
MTY HH   H N N 297 
MTY HXT  H N N 298 
NH2 N    N N N 299 
NH2 HN1  H N N 300 
NH2 HN2  H N N 301 
P33 O22  O N N 302 
P33 C21  C N N 303 
P33 C20  C N N 304 
P33 O19  O N N 305 
P33 C18  C N N 306 
P33 C17  C N N 307 
P33 O16  O N N 308 
P33 C15  C N N 309 
P33 C14  C N N 310 
P33 O13  O N N 311 
P33 C12  C N N 312 
P33 C11  C N N 313 
P33 O10  O N N 314 
P33 C9   C N N 315 
P33 C8   C N N 316 
P33 O7   O N N 317 
P33 C6   C N N 318 
P33 C5   C N N 319 
P33 O4   O N N 320 
P33 C3   C N N 321 
P33 C2   C N N 322 
P33 O1   O N N 323 
P33 H22  H N N 324 
P33 H211 H N N 325 
P33 H212 H N N 326 
P33 H201 H N N 327 
P33 H202 H N N 328 
P33 H181 H N N 329 
P33 H182 H N N 330 
P33 H171 H N N 331 
P33 H172 H N N 332 
P33 H151 H N N 333 
P33 H152 H N N 334 
P33 H141 H N N 335 
P33 H142 H N N 336 
P33 H121 H N N 337 
P33 H122 H N N 338 
P33 H111 H N N 339 
P33 H112 H N N 340 
P33 H91  H N N 341 
P33 H92  H N N 342 
P33 H81  H N N 343 
P33 H82  H N N 344 
P33 H61  H N N 345 
P33 H62  H N N 346 
P33 H51  H N N 347 
P33 H52  H N N 348 
P33 H31  H N N 349 
P33 H32  H N N 350 
P33 H21  H N N 351 
P33 H22A H N N 352 
P33 HO1  H N N 353 
PHE N    N N N 354 
PHE CA   C N S 355 
PHE C    C N N 356 
PHE O    O N N 357 
PHE CB   C N N 358 
PHE CG   C Y N 359 
PHE CD1  C Y N 360 
PHE CD2  C Y N 361 
PHE CE1  C Y N 362 
PHE CE2  C Y N 363 
PHE CZ   C Y N 364 
PHE OXT  O N N 365 
PHE H    H N N 366 
PHE H2   H N N 367 
PHE HA   H N N 368 
PHE HB2  H N N 369 
PHE HB3  H N N 370 
PHE HD1  H N N 371 
PHE HD2  H N N 372 
PHE HE1  H N N 373 
PHE HE2  H N N 374 
PHE HZ   H N N 375 
PHE HXT  H N N 376 
PRO N    N N N 377 
PRO CA   C N S 378 
PRO C    C N N 379 
PRO O    O N N 380 
PRO CB   C N N 381 
PRO CG   C N N 382 
PRO CD   C N N 383 
PRO OXT  O N N 384 
PRO H    H N N 385 
PRO HA   H N N 386 
PRO HB2  H N N 387 
PRO HB3  H N N 388 
PRO HG2  H N N 389 
PRO HG3  H N N 390 
PRO HD2  H N N 391 
PRO HD3  H N N 392 
PRO HXT  H N N 393 
SER N    N N N 394 
SER CA   C N S 395 
SER C    C N N 396 
SER O    O N N 397 
SER CB   C N N 398 
SER OG   O N N 399 
SER OXT  O N N 400 
SER H    H N N 401 
SER H2   H N N 402 
SER HA   H N N 403 
SER HB2  H N N 404 
SER HB3  H N N 405 
SER HG   H N N 406 
SER HXT  H N N 407 
SO4 S    S N N 408 
SO4 O1   O N N 409 
SO4 O2   O N N 410 
SO4 O3   O N N 411 
SO4 O4   O N N 412 
THR N    N N N 413 
THR CA   C N S 414 
THR C    C N N 415 
THR O    O N N 416 
THR CB   C N R 417 
THR OG1  O N N 418 
THR CG2  C N N 419 
THR OXT  O N N 420 
THR H    H N N 421 
THR H2   H N N 422 
THR HA   H N N 423 
THR HB   H N N 424 
THR HG1  H N N 425 
THR HG21 H N N 426 
THR HG22 H N N 427 
THR HG23 H N N 428 
THR HXT  H N N 429 
TRP N    N N N 430 
TRP CA   C N S 431 
TRP C    C N N 432 
TRP O    O N N 433 
TRP CB   C N N 434 
TRP CG   C Y N 435 
TRP CD1  C Y N 436 
TRP CD2  C Y N 437 
TRP NE1  N Y N 438 
TRP CE2  C Y N 439 
TRP CE3  C Y N 440 
TRP CZ2  C Y N 441 
TRP CZ3  C Y N 442 
TRP CH2  C Y N 443 
TRP OXT  O N N 444 
TRP H    H N N 445 
TRP H2   H N N 446 
TRP HA   H N N 447 
TRP HB2  H N N 448 
TRP HB3  H N N 449 
TRP HD1  H N N 450 
TRP HE1  H N N 451 
TRP HE3  H N N 452 
TRP HZ2  H N N 453 
TRP HZ3  H N N 454 
TRP HH2  H N N 455 
TRP HXT  H N N 456 
TYR N    N N N 457 
TYR CA   C N S 458 
TYR C    C N N 459 
TYR O    O N N 460 
TYR CB   C N N 461 
TYR CG   C Y N 462 
TYR CD1  C Y N 463 
TYR CD2  C Y N 464 
TYR CE1  C Y N 465 
TYR CE2  C Y N 466 
TYR CZ   C Y N 467 
TYR OH   O N N 468 
TYR OXT  O N N 469 
TYR H    H N N 470 
TYR H2   H N N 471 
TYR HA   H N N 472 
TYR HB2  H N N 473 
TYR HB3  H N N 474 
TYR HD1  H N N 475 
TYR HD2  H N N 476 
TYR HE1  H N N 477 
TYR HE2  H N N 478 
TYR HH   H N N 479 
TYR HXT  H N N 480 
VAL N    N N N 481 
VAL CA   C N S 482 
VAL C    C N N 483 
VAL O    O N N 484 
VAL CB   C N N 485 
VAL CG1  C N N 486 
VAL CG2  C N N 487 
VAL OXT  O N N 488 
VAL H    H N N 489 
VAL H2   H N N 490 
VAL HA   H N N 491 
VAL HB   H N N 492 
VAL HG11 H N N 493 
VAL HG12 H N N 494 
VAL HG13 H N N 495 
VAL HG21 H N N 496 
VAL HG22 H N N 497 
VAL HG23 H N N 498 
VAL HXT  H N N 499 
YCP C    C N N 500 
YCP N    N N N 501 
YCP O    O N N 502 
YCP CA   C N S 503 
YCP CB   C N N 504 
YCP CD   C N N 505 
YCP CE   C N N 506 
YCP CG   C N N 507 
YCP OXT  O N N 508 
YCP H    H N N 509 
YCP HA   H N N 510 
YCP HB   H N N 511 
YCP HBA  H N N 512 
YCP HD   H N N 513 
YCP HDA  H N N 514 
YCP HE   H N N 515 
YCP HEA  H N N 516 
YCP HG   H N N 517 
YCP HGA  H N N 518 
YCP HXT  H N N 519 
# 
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 
ACE C   O    doub N N 1   
ACE C   CH3  sing N N 2   
ACE C   H    sing N N 3   
ACE CH3 H1   sing N N 4   
ACE CH3 H2   sing N N 5   
ACE CH3 H3   sing N N 6   
ALA N   CA   sing N N 7   
ALA N   H    sing N N 8   
ALA N   H2   sing N N 9   
ALA CA  C    sing N N 10  
ALA CA  CB   sing N N 11  
ALA CA  HA   sing N N 12  
ALA C   O    doub N N 13  
ALA C   OXT  sing N N 14  
ALA CB  HB1  sing N N 15  
ALA CB  HB2  sing N N 16  
ALA CB  HB3  sing N N 17  
ALA OXT HXT  sing N N 18  
ARG N   CA   sing N N 19  
ARG N   H    sing N N 20  
ARG N   H2   sing N N 21  
ARG CA  C    sing N N 22  
ARG CA  CB   sing N N 23  
ARG CA  HA   sing N N 24  
ARG C   O    doub N N 25  
ARG C   OXT  sing N N 26  
ARG CB  CG   sing N N 27  
ARG CB  HB2  sing N N 28  
ARG CB  HB3  sing N N 29  
ARG CG  CD   sing N N 30  
ARG CG  HG2  sing N N 31  
ARG CG  HG3  sing N N 32  
ARG CD  NE   sing N N 33  
ARG CD  HD2  sing N N 34  
ARG CD  HD3  sing N N 35  
ARG NE  CZ   sing N N 36  
ARG NE  HE   sing N N 37  
ARG CZ  NH1  sing N N 38  
ARG CZ  NH2  doub N N 39  
ARG NH1 HH11 sing N N 40  
ARG NH1 HH12 sing N N 41  
ARG NH2 HH21 sing N N 42  
ARG NH2 HH22 sing N N 43  
ARG OXT HXT  sing N N 44  
ASN N   CA   sing N N 45  
ASN N   H    sing N N 46  
ASN N   H2   sing N N 47  
ASN CA  C    sing N N 48  
ASN CA  CB   sing N N 49  
ASN CA  HA   sing N N 50  
ASN C   O    doub N N 51  
ASN C   OXT  sing N N 52  
ASN CB  CG   sing N N 53  
ASN CB  HB2  sing N N 54  
ASN CB  HB3  sing N N 55  
ASN CG  OD1  doub N N 56  
ASN CG  ND2  sing N N 57  
ASN ND2 HD21 sing N N 58  
ASN ND2 HD22 sing N N 59  
ASN OXT HXT  sing N N 60  
ASP N   CA   sing N N 61  
ASP N   H    sing N N 62  
ASP N   H2   sing N N 63  
ASP CA  C    sing N N 64  
ASP CA  CB   sing N N 65  
ASP CA  HA   sing N N 66  
ASP C   O    doub N N 67  
ASP C   OXT  sing N N 68  
ASP CB  CG   sing N N 69  
ASP CB  HB2  sing N N 70  
ASP CB  HB3  sing N N 71  
ASP CG  OD1  doub N N 72  
ASP CG  OD2  sing N N 73  
ASP OD2 HD2  sing N N 74  
ASP OXT HXT  sing N N 75  
CYS N   CA   sing N N 76  
CYS N   H    sing N N 77  
CYS N   H2   sing N N 78  
CYS CA  C    sing N N 79  
CYS CA  CB   sing N N 80  
CYS CA  HA   sing N N 81  
CYS C   O    doub N N 82  
CYS C   OXT  sing N N 83  
CYS CB  SG   sing N N 84  
CYS CB  HB2  sing N N 85  
CYS CB  HB3  sing N N 86  
CYS SG  HG   sing N N 87  
CYS OXT HXT  sing N N 88  
DTT S1  C1   sing N N 89  
DTT S1  HS1  sing N N 90  
DTT C1  C2   sing N N 91  
DTT C1  H11  sing N N 92  
DTT C1  H12  sing N N 93  
DTT C2  O2   sing N N 94  
DTT C2  C3   sing N N 95  
DTT C2  H2   sing N N 96  
DTT O2  HO2  sing N N 97  
DTT C3  O3   sing N N 98  
DTT C3  C4   sing N N 99  
DTT C3  H3   sing N N 100 
DTT O3  HO3  sing N N 101 
DTT C4  S4   sing N N 102 
DTT C4  H41  sing N N 103 
DTT C4  H42  sing N N 104 
DTT S4  HS2  sing N N 105 
GLN N   CA   sing N N 106 
GLN N   H    sing N N 107 
GLN N   H2   sing N N 108 
GLN CA  C    sing N N 109 
GLN CA  CB   sing N N 110 
GLN CA  HA   sing N N 111 
GLN C   O    doub N N 112 
GLN C   OXT  sing N N 113 
GLN CB  CG   sing N N 114 
GLN CB  HB2  sing N N 115 
GLN CB  HB3  sing N N 116 
GLN CG  CD   sing N N 117 
GLN CG  HG2  sing N N 118 
GLN CG  HG3  sing N N 119 
GLN CD  OE1  doub N N 120 
GLN CD  NE2  sing N N 121 
GLN NE2 HE21 sing N N 122 
GLN NE2 HE22 sing N N 123 
GLN OXT HXT  sing N N 124 
GLU N   CA   sing N N 125 
GLU N   H    sing N N 126 
GLU N   H2   sing N N 127 
GLU CA  C    sing N N 128 
GLU CA  CB   sing N N 129 
GLU CA  HA   sing N N 130 
GLU C   O    doub N N 131 
GLU C   OXT  sing N N 132 
GLU CB  CG   sing N N 133 
GLU CB  HB2  sing N N 134 
GLU CB  HB3  sing N N 135 
GLU CG  CD   sing N N 136 
GLU CG  HG2  sing N N 137 
GLU CG  HG3  sing N N 138 
GLU CD  OE1  doub N N 139 
GLU CD  OE2  sing N N 140 
GLU OE2 HE2  sing N N 141 
GLU OXT HXT  sing N N 142 
GLY N   CA   sing N N 143 
GLY N   H    sing N N 144 
GLY N   H2   sing N N 145 
GLY CA  C    sing N N 146 
GLY CA  HA2  sing N N 147 
GLY CA  HA3  sing N N 148 
GLY C   O    doub N N 149 
GLY C   OXT  sing N N 150 
GLY OXT HXT  sing N N 151 
HIS N   CA   sing N N 152 
HIS N   H    sing N N 153 
HIS N   H2   sing N N 154 
HIS CA  C    sing N N 155 
HIS CA  CB   sing N N 156 
HIS CA  HA   sing N N 157 
HIS C   O    doub N N 158 
HIS C   OXT  sing N N 159 
HIS CB  CG   sing N N 160 
HIS CB  HB2  sing N N 161 
HIS CB  HB3  sing N N 162 
HIS CG  ND1  sing Y N 163 
HIS CG  CD2  doub Y N 164 
HIS ND1 CE1  doub Y N 165 
HIS ND1 HD1  sing N N 166 
HIS CD2 NE2  sing Y N 167 
HIS CD2 HD2  sing N N 168 
HIS CE1 NE2  sing Y N 169 
HIS CE1 HE1  sing N N 170 
HIS NE2 HE2  sing N N 171 
HIS OXT HXT  sing N N 172 
HOH O   H1   sing N N 173 
HOH O   H2   sing N N 174 
ILE N   CA   sing N N 175 
ILE N   H    sing N N 176 
ILE N   H2   sing N N 177 
ILE CA  C    sing N N 178 
ILE CA  CB   sing N N 179 
ILE CA  HA   sing N N 180 
ILE C   O    doub N N 181 
ILE C   OXT  sing N N 182 
ILE CB  CG1  sing N N 183 
ILE CB  CG2  sing N N 184 
ILE CB  HB   sing N N 185 
ILE CG1 CD1  sing N N 186 
ILE CG1 HG12 sing N N 187 
ILE CG1 HG13 sing N N 188 
ILE CG2 HG21 sing N N 189 
ILE CG2 HG22 sing N N 190 
ILE CG2 HG23 sing N N 191 
ILE CD1 HD11 sing N N 192 
ILE CD1 HD12 sing N N 193 
ILE CD1 HD13 sing N N 194 
ILE OXT HXT  sing N N 195 
LEU N   CA   sing N N 196 
LEU N   H    sing N N 197 
LEU N   H2   sing N N 198 
LEU CA  C    sing N N 199 
LEU CA  CB   sing N N 200 
LEU CA  HA   sing N N 201 
LEU C   O    doub N N 202 
LEU C   OXT  sing N N 203 
LEU CB  CG   sing N N 204 
LEU CB  HB2  sing N N 205 
LEU CB  HB3  sing N N 206 
LEU CG  CD1  sing N N 207 
LEU CG  CD2  sing N N 208 
LEU CG  HG   sing N N 209 
LEU CD1 HD11 sing N N 210 
LEU CD1 HD12 sing N N 211 
LEU CD1 HD13 sing N N 212 
LEU CD2 HD21 sing N N 213 
LEU CD2 HD22 sing N N 214 
LEU CD2 HD23 sing N N 215 
LEU OXT HXT  sing N N 216 
LYS N   CA   sing N N 217 
LYS N   H    sing N N 218 
LYS N   H2   sing N N 219 
LYS CA  C    sing N N 220 
LYS CA  CB   sing N N 221 
LYS CA  HA   sing N N 222 
LYS C   O    doub N N 223 
LYS C   OXT  sing N N 224 
LYS CB  CG   sing N N 225 
LYS CB  HB2  sing N N 226 
LYS CB  HB3  sing N N 227 
LYS CG  CD   sing N N 228 
LYS CG  HG2  sing N N 229 
LYS CG  HG3  sing N N 230 
LYS CD  CE   sing N N 231 
LYS CD  HD2  sing N N 232 
LYS CD  HD3  sing N N 233 
LYS CE  NZ   sing N N 234 
LYS CE  HE2  sing N N 235 
LYS CE  HE3  sing N N 236 
LYS NZ  HZ1  sing N N 237 
LYS NZ  HZ2  sing N N 238 
LYS NZ  HZ3  sing N N 239 
LYS OXT HXT  sing N N 240 
MET N   CA   sing N N 241 
MET N   H    sing N N 242 
MET N   H2   sing N N 243 
MET CA  C    sing N N 244 
MET CA  CB   sing N N 245 
MET CA  HA   sing N N 246 
MET C   O    doub N N 247 
MET C   OXT  sing N N 248 
MET CB  CG   sing N N 249 
MET CB  HB2  sing N N 250 
MET CB  HB3  sing N N 251 
MET CG  SD   sing N N 252 
MET CG  HG2  sing N N 253 
MET CG  HG3  sing N N 254 
MET SD  CE   sing N N 255 
MET CE  HE1  sing N N 256 
MET CE  HE2  sing N N 257 
MET CE  HE3  sing N N 258 
MET OXT HXT  sing N N 259 
MTY N   CA   sing N N 260 
MTY N   H    sing N N 261 
MTY N   H2   sing N N 262 
MTY CA  CB   sing N N 263 
MTY CA  C    sing N N 264 
MTY CA  HA   sing N N 265 
MTY CB  CG   sing N N 266 
MTY CB  HB2  sing N N 267 
MTY CB  HB3  sing N N 268 
MTY CG  CD1  doub Y N 269 
MTY CG  CD2  sing Y N 270 
MTY CD1 CE1  sing Y N 271 
MTY CD1 HD1  sing N N 272 
MTY CE1 CZ   doub Y N 273 
MTY CE1 HE1  sing N N 274 
MTY CD2 CE2  doub Y N 275 
MTY CD2 HD2  sing N N 276 
MTY CE2 CZ   sing Y N 277 
MTY CE2 OH   sing N N 278 
MTY CZ  HZ   sing N N 279 
MTY OH  HH   sing N N 280 
MTY C   O    doub N N 281 
MTY C   OXT  sing N N 282 
MTY OXT HXT  sing N N 283 
NH2 N   HN1  sing N N 284 
NH2 N   HN2  sing N N 285 
P33 O22 C21  sing N N 286 
P33 O22 H22  sing N N 287 
P33 C21 C20  sing N N 288 
P33 C21 H211 sing N N 289 
P33 C21 H212 sing N N 290 
P33 C20 O19  sing N N 291 
P33 C20 H201 sing N N 292 
P33 C20 H202 sing N N 293 
P33 O19 C18  sing N N 294 
P33 C18 C17  sing N N 295 
P33 C18 H181 sing N N 296 
P33 C18 H182 sing N N 297 
P33 C17 O16  sing N N 298 
P33 C17 H171 sing N N 299 
P33 C17 H172 sing N N 300 
P33 O16 C15  sing N N 301 
P33 C15 C14  sing N N 302 
P33 C15 H151 sing N N 303 
P33 C15 H152 sing N N 304 
P33 C14 O13  sing N N 305 
P33 C14 H141 sing N N 306 
P33 C14 H142 sing N N 307 
P33 O13 C12  sing N N 308 
P33 C12 C11  sing N N 309 
P33 C12 H121 sing N N 310 
P33 C12 H122 sing N N 311 
P33 C11 O10  sing N N 312 
P33 C11 H111 sing N N 313 
P33 C11 H112 sing N N 314 
P33 O10 C9   sing N N 315 
P33 C9  C8   sing N N 316 
P33 C9  H91  sing N N 317 
P33 C9  H92  sing N N 318 
P33 C8  O7   sing N N 319 
P33 C8  H81  sing N N 320 
P33 C8  H82  sing N N 321 
P33 O7  C6   sing N N 322 
P33 C6  C5   sing N N 323 
P33 C6  H61  sing N N 324 
P33 C6  H62  sing N N 325 
P33 C5  O4   sing N N 326 
P33 C5  H51  sing N N 327 
P33 C5  H52  sing N N 328 
P33 O4  C3   sing N N 329 
P33 C3  C2   sing N N 330 
P33 C3  H31  sing N N 331 
P33 C3  H32  sing N N 332 
P33 C2  O1   sing N N 333 
P33 C2  H21  sing N N 334 
P33 C2  H22A sing N N 335 
P33 O1  HO1  sing N N 336 
PHE N   CA   sing N N 337 
PHE N   H    sing N N 338 
PHE N   H2   sing N N 339 
PHE CA  C    sing N N 340 
PHE CA  CB   sing N N 341 
PHE CA  HA   sing N N 342 
PHE C   O    doub N N 343 
PHE C   OXT  sing N N 344 
PHE CB  CG   sing N N 345 
PHE CB  HB2  sing N N 346 
PHE CB  HB3  sing N N 347 
PHE CG  CD1  doub Y N 348 
PHE CG  CD2  sing Y N 349 
PHE CD1 CE1  sing Y N 350 
PHE CD1 HD1  sing N N 351 
PHE CD2 CE2  doub Y N 352 
PHE CD2 HD2  sing N N 353 
PHE CE1 CZ   doub Y N 354 
PHE CE1 HE1  sing N N 355 
PHE CE2 CZ   sing Y N 356 
PHE CE2 HE2  sing N N 357 
PHE CZ  HZ   sing N N 358 
PHE OXT HXT  sing N N 359 
PRO N   CA   sing N N 360 
PRO N   CD   sing N N 361 
PRO N   H    sing N N 362 
PRO CA  C    sing N N 363 
PRO CA  CB   sing N N 364 
PRO CA  HA   sing N N 365 
PRO C   O    doub N N 366 
PRO C   OXT  sing N N 367 
PRO CB  CG   sing N N 368 
PRO CB  HB2  sing N N 369 
PRO CB  HB3  sing N N 370 
PRO CG  CD   sing N N 371 
PRO CG  HG2  sing N N 372 
PRO CG  HG3  sing N N 373 
PRO CD  HD2  sing N N 374 
PRO CD  HD3  sing N N 375 
PRO OXT HXT  sing N N 376 
SER N   CA   sing N N 377 
SER N   H    sing N N 378 
SER N   H2   sing N N 379 
SER CA  C    sing N N 380 
SER CA  CB   sing N N 381 
SER CA  HA   sing N N 382 
SER C   O    doub N N 383 
SER C   OXT  sing N N 384 
SER CB  OG   sing N N 385 
SER CB  HB2  sing N N 386 
SER CB  HB3  sing N N 387 
SER OG  HG   sing N N 388 
SER OXT HXT  sing N N 389 
SO4 S   O1   doub N N 390 
SO4 S   O2   doub N N 391 
SO4 S   O3   sing N N 392 
SO4 S   O4   sing N N 393 
THR N   CA   sing N N 394 
THR N   H    sing N N 395 
THR N   H2   sing N N 396 
THR CA  C    sing N N 397 
THR CA  CB   sing N N 398 
THR CA  HA   sing N N 399 
THR C   O    doub N N 400 
THR C   OXT  sing N N 401 
THR CB  OG1  sing N N 402 
THR CB  CG2  sing N N 403 
THR CB  HB   sing N N 404 
THR OG1 HG1  sing N N 405 
THR CG2 HG21 sing N N 406 
THR CG2 HG22 sing N N 407 
THR CG2 HG23 sing N N 408 
THR OXT HXT  sing N N 409 
TRP N   CA   sing N N 410 
TRP N   H    sing N N 411 
TRP N   H2   sing N N 412 
TRP CA  C    sing N N 413 
TRP CA  CB   sing N N 414 
TRP CA  HA   sing N N 415 
TRP C   O    doub N N 416 
TRP C   OXT  sing N N 417 
TRP CB  CG   sing N N 418 
TRP CB  HB2  sing N N 419 
TRP CB  HB3  sing N N 420 
TRP CG  CD1  doub Y N 421 
TRP CG  CD2  sing Y N 422 
TRP CD1 NE1  sing Y N 423 
TRP CD1 HD1  sing N N 424 
TRP CD2 CE2  doub Y N 425 
TRP CD2 CE3  sing Y N 426 
TRP NE1 CE2  sing Y N 427 
TRP NE1 HE1  sing N N 428 
TRP CE2 CZ2  sing Y N 429 
TRP CE3 CZ3  doub Y N 430 
TRP CE3 HE3  sing N N 431 
TRP CZ2 CH2  doub Y N 432 
TRP CZ2 HZ2  sing N N 433 
TRP CZ3 CH2  sing Y N 434 
TRP CZ3 HZ3  sing N N 435 
TRP CH2 HH2  sing N N 436 
TRP OXT HXT  sing N N 437 
TYR N   CA   sing N N 438 
TYR N   H    sing N N 439 
TYR N   H2   sing N N 440 
TYR CA  C    sing N N 441 
TYR CA  CB   sing N N 442 
TYR CA  HA   sing N N 443 
TYR C   O    doub N N 444 
TYR C   OXT  sing N N 445 
TYR CB  CG   sing N N 446 
TYR CB  HB2  sing N N 447 
TYR CB  HB3  sing N N 448 
TYR CG  CD1  doub Y N 449 
TYR CG  CD2  sing Y N 450 
TYR CD1 CE1  sing Y N 451 
TYR CD1 HD1  sing N N 452 
TYR CD2 CE2  doub Y N 453 
TYR CD2 HD2  sing N N 454 
TYR CE1 CZ   doub Y N 455 
TYR CE1 HE1  sing N N 456 
TYR CE2 CZ   sing Y N 457 
TYR CE2 HE2  sing N N 458 
TYR CZ  OH   sing N N 459 
TYR OH  HH   sing N N 460 
TYR OXT HXT  sing N N 461 
VAL N   CA   sing N N 462 
VAL N   H    sing N N 463 
VAL N   H2   sing N N 464 
VAL CA  C    sing N N 465 
VAL CA  CB   sing N N 466 
VAL CA  HA   sing N N 467 
VAL C   O    doub N N 468 
VAL C   OXT  sing N N 469 
VAL CB  CG1  sing N N 470 
VAL CB  CG2  sing N N 471 
VAL CB  HB   sing N N 472 
VAL CG1 HG11 sing N N 473 
VAL CG1 HG12 sing N N 474 
VAL CG1 HG13 sing N N 475 
VAL CG2 HG21 sing N N 476 
VAL CG2 HG22 sing N N 477 
VAL CG2 HG23 sing N N 478 
VAL OXT HXT  sing N N 479 
YCP C   O    doub N N 480 
YCP C   CA   sing N N 481 
YCP C   OXT  sing N N 482 
YCP N   CA   sing N N 483 
YCP N   CE   sing N N 484 
YCP CA  CB   sing N N 485 
YCP CB  CG   sing N N 486 
YCP CD  CE   sing N N 487 
YCP CD  CG   sing N N 488 
YCP N   H    sing N N 489 
YCP CA  HA   sing N N 490 
YCP CB  HB   sing N N 491 
YCP CB  HBA  sing N N 492 
YCP CD  HD   sing N N 493 
YCP CD  HDA  sing N N 494 
YCP CE  HE   sing N N 495 
YCP CE  HEA  sing N N 496 
YCP CG  HG   sing N N 497 
YCP CG  HGA  sing N N 498 
YCP OXT HXT  sing N N 499 
# 
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                    8VJF 
_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]   0.014521 
_atom_sites.fract_transf_matrix[1][2]   0.008384 
_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]   0.016767 
_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]   0.012700 
_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  ? 10.54006 -10.91978 4.52530  1.000 55.98984 ? 7   LEU A N   1 
ATOM   2    C CA  . LEU A 1 10  ? 11.63690 -11.86704 4.35850  1.000 55.34413 ? 7   LEU A CA  1 
ATOM   3    C C   . LEU A 1 10  ? 12.95317 -11.25969 4.84982  1.000 52.93177 ? 7   LEU A C   1 
ATOM   4    O O   . LEU A 1 10  ? 13.52894 -10.39557 4.19126  1.000 56.73034 ? 7   LEU A O   1 
ATOM   5    C CB  . LEU A 1 10  ? 11.74430 -12.29823 2.89613  1.000 56.18172 ? 7   LEU A CB  1 
ATOM   6    C CG  . LEU A 1 10  ? 12.23966 -13.72649 2.64667  1.000 53.07786 ? 7   LEU A CG  1 
ATOM   7    C CD1 . LEU A 1 10  ? 11.49870 -14.72745 3.52116  1.000 51.86325 ? 7   LEU A CD1 1 
ATOM   8    C CD2 . LEU A 1 10  ? 12.08490 -14.08899 1.17774  1.000 54.46169 ? 7   LEU A CD2 1 
ATOM   9    N N   . PRO A 1 11  ? 13.42237 -11.73108 6.00201  1.000 53.08867 ? 8   PRO A N   1 
ATOM   10   C CA  . PRO A 1 11  ? 14.56948 -11.09570 6.68518  1.000 50.39941 ? 8   PRO A CA  1 
ATOM   11   C C   . PRO A 1 11  ? 15.81371 -11.06984 5.81204  1.000 49.31576 ? 8   PRO A C   1 
ATOM   12   O O   . PRO A 1 11  ? 15.88686 -11.77978 4.79657  1.000 48.59472 ? 8   PRO A O   1 
ATOM   13   C CB  . PRO A 1 11  ? 14.77138 -11.98609 7.92131  1.000 50.87423 ? 8   PRO A CB  1 
ATOM   14   C CG  . PRO A 1 11  ? 13.44737 -12.62254 8.14896  1.000 53.01528 ? 8   PRO A CG  1 
ATOM   15   C CD  . PRO A 1 11  ? 12.85607 -12.84064 6.78589  1.000 52.17934 ? 8   PRO A CD  1 
ATOM   16   N N   . PRO A 1 12  ? 16.82050 -10.26988 6.18072  1.000 48.61018 ? 9   PRO A N   1 
ATOM   17   C CA  . PRO A 1 12  ? 17.97222 -10.06974 5.28734  1.000 47.33069 ? 9   PRO A CA  1 
ATOM   18   C C   . PRO A 1 12  ? 18.72014 -11.36512 5.00742  1.000 41.22133 ? 9   PRO A C   1 
ATOM   19   O O   . PRO A 1 12  ? 19.14507 -12.07626 5.92562  1.000 39.00932 ? 9   PRO A O   1 
ATOM   20   C CB  . PRO A 1 12  ? 18.85177 -9.07394  6.05594  1.000 44.64996 ? 9   PRO A CB  1 
ATOM   21   C CG  . PRO A 1 12  ? 17.94193 -8.41955  7.04120  1.000 46.98999 ? 9   PRO A CG  1 
ATOM   22   C CD  . PRO A 1 12  ? 16.92959 -9.45638  7.40710  1.000 44.72314 ? 9   PRO A CD  1 
ATOM   23   N N   . GLY A 1 13  ? 18.89390 -11.65605 3.72084  1.000 38.87455 ? 10  GLY A N   1 
ATOM   24   C CA  . GLY A 1 13  ? 19.67837 -12.78904 3.28727  1.000 35.67593 ? 10  GLY A CA  1 
ATOM   25   C C   . GLY A 1 13  ? 18.89673 -14.05255 3.00209  1.000 33.20610 ? 10  GLY A C   1 
ATOM   26   O O   . GLY A 1 13  ? 19.48731 -15.02086 2.51612  1.000 29.00431 ? 10  GLY A O   1 
ATOM   27   N N   . TRP A 1 14  ? 17.59269 -14.07319 3.26732  1.000 38.25331 ? 11  TRP A N   1 
ATOM   28   C CA  . TRP A 1 14  ? 16.79955 -15.29058 3.13808  1.000 36.51152 ? 11  TRP A CA  1 
ATOM   29   C C   . TRP A 1 14  ? 16.15969 -15.38400 1.75668  1.000 36.20423 ? 11  TRP A C   1 
ATOM   30   O O   . TRP A 1 14  ? 15.69342 -14.38301 1.20240  1.000 39.51054 ? 11  TRP A O   1 
ATOM   31   C CB  . TRP A 1 14  ? 15.71567 -15.34238 4.22152  1.000 36.14071 ? 11  TRP A CB  1 
ATOM   32   C CG  . TRP A 1 14  ? 16.22188 -15.69632 5.60230  1.000 35.11698 ? 11  TRP A CG  1 
ATOM   33   C CD1 . TRP A 1 14  ? 16.46013 -14.83849 6.63819  1.000 32.77440 ? 11  TRP A CD1 1 
ATOM   34   C CD2 . TRP A 1 14  ? 16.54184 -17.00473 6.08806  1.000 31.26067 ? 11  TRP A CD2 1 
ATOM   35   N NE1 . TRP A 1 14  ? 16.90992 -15.53118 7.73702  1.000 33.90886 ? 11  TRP A NE1 1 
ATOM   36   C CE2 . TRP A 1 14  ? 16.96095 -16.86451 7.42811  1.000 29.25023 ? 11  TRP A CE2 1 
ATOM   37   C CE3 . TRP A 1 14  ? 16.50581 -18.28465 5.52352  1.000 27.28402 ? 11  TRP A CE3 1 
ATOM   38   C CZ2 . TRP A 1 14  ? 17.35678 -17.94560 8.20114  1.000 29.13236 ? 11  TRP A CZ2 1 
ATOM   39   C CZ3 . TRP A 1 14  ? 16.89804 -19.35413 6.29898  1.000 25.78967 ? 11  TRP A CZ3 1 
ATOM   40   C CH2 . TRP A 1 14  ? 17.31869 -19.17909 7.61989  1.000 30.23362 ? 11  TRP A CH2 1 
ATOM   41   N N   . GLU A 1 15  ? 16.14567 -16.59547 1.19834  1.000 31.10677 ? 12  GLU A N   1 
ATOM   42   C CA  . GLU A 1 15  ? 15.45835 -16.86887 -0.05631 1.000 34.92126 ? 12  GLU A CA  1 
ATOM   43   C C   . GLU A 1 15  ? 14.70934 -18.18903 0.05405  1.000 34.66518 ? 12  GLU A C   1 
ATOM   44   O O   . GLU A 1 15  ? 14.99428 -19.02281 0.91780  1.000 30.43964 ? 12  GLU A O   1 
ATOM   45   C CB  . GLU A 1 15  ? 16.42135 -16.93137 -1.25421 1.000 37.41032 ? 12  GLU A CB  1 
ATOM   46   C CG  . GLU A 1 15  ? 17.27538 -18.19996 -1.27414 1.000 38.55126 ? 12  GLU A CG  1 
ATOM   47   C CD  . GLU A 1 15  ? 18.25314 -18.25407 -2.43975 1.000 44.51330 ? 12  GLU A CD  1 
ATOM   48   O OE1 . GLU A 1 15  ? 17.79504 -18.22199 -3.60058 1.000 47.44524 ? 12  GLU A OE1 1 
ATOM   49   O OE2 . GLU A 1 15  ? 19.47944 -18.33190 -2.19168 1.000 43.23820 ? 12  GLU A OE2 1 
ATOM   50   N N   . LYS A 1 16  ? 13.74505 -18.36841 -0.83803 1.000 34.59930 ? 13  LYS A N   1 
ATOM   51   C CA  . LYS A 1 16  ? 12.95732 -19.58881 -0.91862 1.000 36.12065 ? 13  LYS A CA  1 
ATOM   52   C C   . LYS A 1 16  ? 13.54239 -20.50917 -1.98463 1.000 38.04981 ? 13  LYS A C   1 
ATOM   53   O O   . LYS A 1 16  ? 13.99047 -20.04601 -3.03836 1.000 38.25714 ? 13  LYS A O   1 
ATOM   54   C CB  . LYS A 1 16  ? 11.50087 -19.25176 -1.24485 1.000 38.84659 ? 13  LYS A CB  1 
ATOM   55   C CG  . LYS A 1 16  ? 10.62156 -20.44557 -1.50017 1.000 43.41361 ? 13  LYS A CG  1 
ATOM   56   C CD  . LYS A 1 16  ? 9.44187  -20.09130 -2.39676 1.000 49.36991 ? 13  LYS A CD  1 
ATOM   57   C CE  . LYS A 1 16  ? 8.52140  -19.06332 -1.75594 1.000 52.56394 ? 13  LYS A CE  1 
ATOM   58   N NZ  . LYS A 1 16  ? 7.46554  -18.62214 -2.71519 1.000 56.99195 ? 13  LYS A NZ  1 
ATOM   59   N N   . ALA A 1 17  ? 13.54321 -21.81242 -1.71205 1.000 36.17730 ? 14  ALA A N   1 
ATOM   60   C CA  . ALA A 1 17  ? 14.06452 -22.77681 -2.67291 1.000 37.22516 ? 14  ALA A CA  1 
ATOM   61   C C   . ALA A 1 17  ? 13.27694 -24.07743 -2.58256 1.000 40.28864 ? 14  ALA A C   1 
ATOM   62   O O   . ALA A 1 17  ? 12.41678 -24.25751 -1.71542 1.000 34.87982 ? 14  ALA A O   1 
ATOM   63   C CB  . ALA A 1 17  ? 15.55686 -23.03122 -2.45217 1.000 38.44706 ? 14  ALA A CB  1 
ATOM   64   N N   . MET A 1 18  ? 13.58427 -24.98912 -3.50204 1.000 39.60439 ? 15  MET A N   1 
ATOM   65   C CA  . MET A 1 18  ? 12.89589 -26.26890 -3.61517 1.000 37.63352 ? 15  MET A CA  1 
ATOM   66   C C   . MET A 1 18  ? 13.86674 -27.38750 -3.28010 1.000 40.76779 ? 15  MET A C   1 
ATOM   67   O O   . MET A 1 18  ? 14.93069 -27.49105 -3.89999 1.000 38.17859 ? 15  MET A O   1 
ATOM   68   C CB  . MET A 1 18  ? 12.33837 -26.47086 -5.02106 1.000 43.82410 ? 15  MET A CB  1 
ATOM   69   C CG  . MET A 1 18  ? 10.97195 -27.10113 -5.03027 1.000 40.44846 ? 15  MET A CG  1 
ATOM   70   S SD  . MET A 1 18  ? 9.71586  -25.90872 -4.50418 1.000 61.77892 ? 15  MET A SD  1 
ATOM   71   C CE  . MET A 1 18  ? 10.38056 -24.37509 -5.16427 1.000 52.58532 ? 15  MET A CE  1 
ATOM   72   N N   . SER A 1 19  ? 13.49657 -28.22062 -2.30971 1.000 39.34638 ? 16  SER A N   1 
ATOM   73   C CA  . SER A 1 19  ? 14.32885 -29.35963 -1.95182 1.000 42.73333 ? 16  SER A CA  1 
ATOM   74   C C   . SER A 1 19  ? 14.43889 -30.33553 -3.11920 1.000 41.63919 ? 16  SER A C   1 
ATOM   75   O O   . SER A 1 19  ? 13.45809 -30.62060 -3.80910 1.000 42.34445 ? 16  SER A O   1 
ATOM   76   C CB  . SER A 1 19  ? 13.75205 -30.07495 -0.73542 1.000 43.04831 ? 16  SER A CB  1 
ATOM   77   O OG  . SER A 1 19  ? 14.29545 -31.38054 -0.61262 1.000 49.51527 ? 16  SER A OG  1 
ATOM   78   N N   . ARG A 1 20  ? 15.65233 -30.84716 -3.32902 1.000 43.63418 ? 17  ARG A N   1 
ATOM   79   C CA  . ARG A 1 20  ? 15.87531 -31.87335 -4.34378 1.000 47.12638 ? 17  ARG A CA  1 
ATOM   80   C C   . ARG A 1 20  ? 15.19241 -33.17573 -3.97532 1.000 49.91855 ? 17  ARG A C   1 
ATOM   81   O O   . ARG A 1 20  ? 14.58295 -33.82318 -4.83015 1.000 49.03752 ? 17  ARG A O   1 
ATOM   82   C CB  . ARG A 1 20  ? 17.36790 -32.12791 -4.51681 1.000 49.88356 ? 17  ARG A CB  1 
ATOM   83   C CG  . ARG A 1 20  ? 18.10561 -30.95822 -5.04263 1.000 45.93996 ? 17  ARG A CG  1 
ATOM   84   C CD  . ARG A 1 20  ? 17.58678 -30.61831 -6.42205 1.000 40.17778 ? 17  ARG A CD  1 
ATOM   85   N NE  . ARG A 1 20  ? 18.02446 -29.27872 -6.77195 1.000 42.16270 ? 17  ARG A NE  1 
ATOM   86   C CZ  . ARG A 1 20  ? 19.25637 -28.98007 -7.15715 1.000 38.23111 ? 17  ARG A CZ  1 
ATOM   87   N NH1 . ARG A 1 20  ? 20.16617 -29.92238 -7.36088 1.000 39.04162 ? 17  ARG A NH1 1 
ATOM   88   N NH2 . ARG A 1 20  ? 19.58638 -27.70455 -7.33105 1.000 41.08505 ? 17  ARG A NH2 1 
ATOM   89   N N   . SER A 1 21  ? 15.31380 -33.58927 -2.71445 1.000 51.43301 ? 18  SER A N   1 
ATOM   90   C CA  . SER A 1 21  ? 14.84223 -34.90873 -2.31367 1.000 54.52463 ? 18  SER A CA  1 
ATOM   91   C C   . SER A 1 21  ? 13.32343 -34.97938 -2.33608 1.000 50.14614 ? 18  SER A C   1 
ATOM   92   O O   . SER A 1 21  ? 12.74195 -35.92319 -2.88551 1.000 52.06471 ? 18  SER A O   1 
ATOM   93   C CB  . SER A 1 21  ? 15.37583 -35.24187 -0.92076 1.000 57.66700 ? 18  SER A CB  1 
ATOM   94   O OG  . SER A 1 21  ? 16.60121 -34.56963 -0.67931 1.000 63.51423 ? 18  SER A OG  1 
ATOM   95   N N   . SER A 1 22  ? 12.66274 -33.97364 -1.75907 1.000 48.80646 ? 19  SER A N   1 
ATOM   96   C CA  . SER A 1 22  ? 11.23207 -34.02786 -1.49721 1.000 45.25499 ? 19  SER A CA  1 
ATOM   97   C C   . SER A 1 22  ? 10.40678 -33.08377 -2.34784 1.000 43.27784 ? 19  SER A C   1 
ATOM   98   O O   . SER A 1 22  ? 9.18724  -33.25213 -2.41515 1.000 41.94664 ? 19  SER A O   1 
ATOM   99   C CB  . SER A 1 22  ? 10.95466 -33.70202 -0.02167 1.000 46.04291 ? 19  SER A CB  1 
ATOM   100  O OG  . SER A 1 22  ? 11.17192 -32.32443 0.23064  1.000 42.49203 ? 19  SER A OG  1 
ATOM   101  N N   . GLY A 1 23  ? 11.02459 -32.09834 -2.99090 1.000 43.28129 ? 20  GLY A N   1 
ATOM   102  C CA  . GLY A 1 23  ? 10.24901 -31.11971 -3.71923 1.000 41.12711 ? 20  GLY A CA  1 
ATOM   103  C C   . GLY A 1 23  ? 9.50973  -30.13104 -2.84919 1.000 40.56144 ? 20  GLY A C   1 
ATOM   104  O O   . GLY A 1 23  ? 8.77075  -29.29374 -3.37683 1.000 39.35888 ? 20  GLY A O   1 
ATOM   105  N N   . ARG A 1 24  ? 9.68849  -30.19981 -1.53486 1.000 37.72811 ? 21  ARG A N   1 
ATOM   106  C CA  . ARG A 1 24  ? 9.07535  -29.25191 -0.62391 1.000 36.35740 ? 21  ARG A CA  1 
ATOM   107  C C   . ARG A 1 24  ? 9.89044  -27.96493 -0.55739 1.000 31.99412 ? 21  ARG A C   1 
ATOM   108  O O   . ARG A 1 24  ? 11.11993 -27.96775 -0.67763 1.000 31.07543 ? 21  ARG A O   1 
ATOM   109  C CB  . ARG A 1 24  ? 8.94689  -29.86791 0.77204  1.000 38.93228 ? 21  ARG A CB  1 
ATOM   110  C CG  . ARG A 1 24  ? 7.51010  -30.14953 1.19809  1.000 44.25165 ? 21  ARG A CG  1 
ATOM   111  C CD  . ARG A 1 24  ? 7.44433  -31.04706 2.44346  1.000 42.18541 ? 21  ARG A CD  1 
ATOM   112  N NE  . ARG A 1 24  ? 8.08299  -30.46866 3.62000  1.000 40.88812 ? 21  ARG A NE  1 
ATOM   113  C CZ  . ARG A 1 24  ? 9.15991  -30.96382 4.21946  1.000 37.49230 ? 21  ARG A CZ  1 
ATOM   114  N NH1 . ARG A 1 24  ? 9.78514  -32.03577 3.75280  1.000 45.59732 ? 21  ARG A NH1 1 
ATOM   115  N NH2 . ARG A 1 24  ? 9.60840  -30.38535 5.32771  1.000 36.22101 ? 21  ARG A NH2 1 
ATOM   116  N N   . VAL A 1 25  ? 9.17197  -26.85605 -0.38108 1.000 32.52324 ? 22  VAL A N   1 
ATOM   117  C CA  . VAL A 1 25  ? 9.79457  -25.55046 -0.23039 1.000 32.10349 ? 22  VAL A CA  1 
ATOM   118  C C   . VAL A 1 25  ? 10.63890 -25.52499 1.04161  1.000 30.14280 ? 22  VAL A C   1 
ATOM   119  O O   . VAL A 1 25  ? 10.29029 -26.13955 2.05542  1.000 30.36956 ? 22  VAL A O   1 
ATOM   120  C CB  . VAL A 1 25  ? 8.69026  -24.47792 -0.20296 1.000 35.29669 ? 22  VAL A CB  1 
ATOM   121  C CG1 . VAL A 1 25  ? 9.25500  -23.11051 0.08454  1.000 39.90559 ? 22  VAL A CG1 1 
ATOM   122  C CG2 . VAL A 1 25  ? 7.90318  -24.47766 -1.52032 1.000 41.09025 ? 22  VAL A CG2 1 
ATOM   123  N N   . TYR A 1 26  ? 11.76679 -24.82291 0.99146  1.000 29.03733 ? 23  TYR A N   1 
ATOM   124  C CA  . TYR A 1 26  ? 12.53325 -24.54717 2.19694  1.000 26.26215 ? 23  TYR A CA  1 
ATOM   125  C C   . TYR A 1 26  ? 13.12691 -23.15625 2.07860  1.000 26.98536 ? 23  TYR A C   1 
ATOM   126  O O   . TYR A 1 26  ? 12.93962 -22.46536 1.07573  1.000 29.85606 ? 23  TYR A O   1 
ATOM   127  C CB  . TYR A 1 26  ? 13.62666 -25.58736 2.43453  1.000 26.54603 ? 23  TYR A CB  1 
ATOM   128  C CG  . TYR A 1 26  ? 14.81758 -25.52186 1.49880  1.000 27.87228 ? 23  TYR A CG  1 
ATOM   129  C CD1 . TYR A 1 26  ? 14.75268 -26.08805 0.22986  1.000 32.64189 ? 23  TYR A CD1 1 
ATOM   130  C CD2 . TYR A 1 26  ? 16.02101 -24.92664 1.89192  1.000 30.21755 ? 23  TYR A CD2 1 
ATOM   131  C CE1 . TYR A 1 26  ? 15.83436 -26.05380 -0.61597 1.000 33.83581 ? 23  TYR A CE1 1 
ATOM   132  C CE2 . TYR A 1 26  ? 17.11165 -24.89128 1.04446  1.000 29.15605 ? 23  TYR A CE2 1 
ATOM   133  C CZ  . TYR A 1 26  ? 17.00860 -25.46140 -0.21042 1.000 35.24715 ? 23  TYR A CZ  1 
ATOM   134  O OH  . TYR A 1 26  ? 18.07941 -25.43528 -1.07411 1.000 39.22671 ? 23  TYR A OH  1 
ATOM   135  N N   . TYR A 1 27  ? 13.85498 -22.74858 3.11409  1.000 24.04728 ? 24  TYR A N   1 
ATOM   136  C CA  . TYR A 1 27  ? 14.41780 -21.41035 3.17349  1.000 25.30212 ? 24  TYR A CA  1 
ATOM   137  C C   . TYR A 1 27  ? 15.91795 -21.48253 3.40101  1.000 23.25058 ? 24  TYR A C   1 
ATOM   138  O O   . TYR A 1 27  ? 16.40327 -22.26406 4.22066  1.000 20.48991 ? 24  TYR A O   1 
ATOM   139  C CB  . TYR A 1 27  ? 13.74015 -20.59040 4.26489  1.000 24.38150 ? 24  TYR A CB  1 
ATOM   140  C CG  . TYR A 1 27  ? 12.27011 -20.45671 4.00096  1.000 29.61668 ? 24  TYR A CG  1 
ATOM   141  C CD1 . TYR A 1 27  ? 11.78526 -19.43015 3.19896  1.000 31.99521 ? 24  TYR A CD1 1 
ATOM   142  C CD2 . TYR A 1 27  ? 11.36627 -21.38538 4.50902  1.000 30.46895 ? 24  TYR A CD2 1 
ATOM   143  C CE1 . TYR A 1 27  ? 10.43713 -19.30965 2.93420  1.000 37.84182 ? 24  TYR A CE1 1 
ATOM   144  C CE2 . TYR A 1 27  ? 10.01289 -21.27692 4.24157  1.000 35.37611 ? 24  TYR A CE2 1 
ATOM   145  C CZ  . TYR A 1 27  ? 9.55671  -20.23586 3.45577  1.000 40.67519 ? 24  TYR A CZ  1 
ATOM   146  O OH  . TYR A 1 27  ? 8.21060  -20.10799 3.18388  1.000 41.13501 ? 24  TYR A OH  1 
ATOM   147  N N   . PHE A 1 28  ? 16.64811 -20.65234 2.67054  1.000 24.19683 ? 25  PHE A N   1 
ATOM   148  C CA  . PHE A 1 28  ? 18.10055 -20.65896 2.70988  1.000 23.03198 ? 25  PHE A CA  1 
ATOM   149  C C   . PHE A 1 28  ? 18.58076 -19.23242 2.90339  1.000 25.19832 ? 25  PHE A C   1 
ATOM   150  O O   . PHE A 1 28  ? 18.02437 -18.30704 2.31080  1.000 28.40332 ? 25  PHE A O   1 
ATOM   151  C CB  . PHE A 1 28  ? 18.67184 -21.24292 1.40265  1.000 27.51164 ? 25  PHE A CB  1 
ATOM   152  C CG  . PHE A 1 28  ? 20.16072 -21.14726 1.29745  1.000 30.38354 ? 25  PHE A CG  1 
ATOM   153  C CD1 . PHE A 1 28  ? 20.97608 -21.93269 2.11168  1.000 25.65722 ? 25  PHE A CD1 1 
ATOM   154  C CD2 . PHE A 1 28  ? 20.74677 -20.28415 0.38674  1.000 27.65892 ? 25  PHE A CD2 1 
ATOM   155  C CE1 . PHE A 1 28  ? 22.36080 -21.85634 2.02936  1.000 25.06149 ? 25  PHE A CE1 1 
ATOM   156  C CE2 . PHE A 1 28  ? 22.13348 -20.20019 0.28701  1.000 28.48445 ? 25  PHE A CE2 1 
ATOM   157  C CZ  . PHE A 1 28  ? 22.94447 -20.98798 1.11623  1.000 26.21350 ? 25  PHE A CZ  1 
ATOM   158  N N   . ASN A 1 29  ? 19.60997 -19.05047 3.72065  1.000 22.75132 ? 26  ASN A N   1 
ATOM   159  C CA  . ASN A 1 29  ? 20.20611 -17.73497 3.92291  1.000 24.30565 ? 26  ASN A CA  1 
ATOM   160  C C   . ASN A 1 29  ? 21.60974 -17.75756 3.33288  1.000 20.83713 ? 26  ASN A C   1 
ATOM   161  O O   . ASN A 1 29  ? 22.45989 -18.52465 3.78209  1.000 21.21714 ? 26  ASN A O   1 
ATOM   162  C CB  . ASN A 1 29  ? 20.22199 -17.36464 5.40853  1.000 21.60887 ? 26  ASN A CB  1 
ATOM   163  C CG  . ASN A 1 29  ? 20.66527 -15.93766 5.64038  1.000 27.27789 ? 26  ASN A CG  1 
ATOM   164  O OD1 . ASN A 1 29  ? 21.76834 -15.55215 5.25284  1.000 22.47014 ? 26  ASN A OD1 1 
ATOM   165  N ND2 . ASN A 1 29  ? 19.80172 -15.13815 6.26218  1.000 27.58853 ? 26  ASN A ND2 1 
ATOM   166  N N   . HIS A 1 30  ? 21.84206 -16.95662 2.29293  1.000 22.48856 ? 27  HIS A N   1 
ATOM   167  C CA  . HIS A 1 30  ? 23.14277 -17.01655 1.64139  1.000 22.06839 ? 27  HIS A CA  1 
ATOM   168  C C   . HIS A 1 30  ? 24.24081 -16.32700 2.44217  1.000 24.25455 ? 27  HIS A C   1 
ATOM   169  O O   . HIS A 1 30  ? 25.41831 -16.52343 2.13225  1.000 23.40875 ? 27  HIS A O   1 
ATOM   170  C CB  . HIS A 1 30  ? 23.05719 -16.41734 0.23781  1.000 24.15365 ? 27  HIS A CB  1 
ATOM   171  C CG  . HIS A 1 30  ? 23.04506 -14.92499 0.21641  1.000 26.15853 ? 27  HIS A CG  1 
ATOM   172  N ND1 . HIS A 1 30  ? 21.87959 -14.19085 0.20320  1.000 30.82177 ? 27  HIS A ND1 1 
ATOM   173  C CD2 . HIS A 1 30  ? 24.05842 -14.02737 0.18458  1.000 27.10035 ? 27  HIS A CD2 1 
ATOM   174  C CE1 . HIS A 1 30  ? 22.17452 -12.90449 0.17522  1.000 29.69874 ? 27  HIS A CE1 1 
ATOM   175  N NE2 . HIS A 1 30  ? 23.48975 -12.77855 0.16242  1.000 30.75774 ? 27  HIS A NE2 1 
ATOM   176  N N   . ILE A 1 31  ? 23.89172 -15.53844 3.46209  1.000 22.23916 ? 28  ILE A N   1 
ATOM   177  C CA  . ILE A 1 31  ? 24.91874 -14.87617 4.26022  1.000 23.60132 ? 28  ILE A CA  1 
ATOM   178  C C   . ILE A 1 31  ? 25.42133 -15.79623 5.36715  1.000 24.58346 ? 28  ILE A C   1 
ATOM   179  O O   . ILE A 1 31  ? 26.62567 -15.85964 5.64452  1.000 24.25326 ? 28  ILE A O   1 
ATOM   180  C CB  . ILE A 1 31  ? 24.38091 -13.55342 4.83597  1.000 24.39851 ? 28  ILE A CB  1 
ATOM   181  C CG1 . ILE A 1 31  ? 23.90403 -12.60680 3.72556  1.000 24.76170 ? 28  ILE A CG1 1 
ATOM   182  C CG2 . ILE A 1 31  ? 25.44297 -12.88439 5.72595  1.000 23.42749 ? 28  ILE A CG2 1 
ATOM   183  C CD1 . ILE A 1 31  ? 23.18147 -11.37050 4.25210  1.000 25.31168 ? 28  ILE A CD1 1 
ATOM   184  N N   . THR A 1 32  ? 24.51898 -16.53864 6.00114  1.000 22.68754 ? 29  THR A N   1 
ATOM   185  C CA  . THR A 1 32  ? 24.88006 -17.44820 7.07268  1.000 21.91318 ? 29  THR A CA  1 
ATOM   186  C C   . THR A 1 32  ? 25.01404 -18.88372 6.60722  1.000 22.28424 ? 29  THR A C   1 
ATOM   187  O O   . THR A 1 32  ? 25.49497 -19.72194 7.37693  1.000 20.12559 ? 29  THR A O   1 
ATOM   188  C CB  . THR A 1 32  ? 23.82589 -17.40568 8.16800  1.000 22.50101 ? 29  THR A CB  1 
ATOM   189  O OG1 . THR A 1 32  ? 22.60541 -17.94230 7.63299  1.000 21.81090 ? 29  THR A OG1 1 
ATOM   190  C CG2 . THR A 1 32  ? 23.60031 -15.95696 8.62970  1.000 22.13347 ? 29  THR A CG2 1 
ATOM   191  N N   . ASN A 1 33  ? 24.55910 -19.18662 5.38878  1.000 20.49905 ? 30  ASN A N   1 
ATOM   192  C CA  . ASN A 1 33  ? 24.49378 -20.54249 4.85649  1.000 19.90029 ? 30  ASN A CA  1 
ATOM   193  C C   . ASN A 1 33  ? 23.59213 -21.44794 5.69502  1.000 19.65350 ? 30  ASN A C   1 
ATOM   194  O O   . ASN A 1 33  ? 23.65138 -22.67394 5.58766  1.000 18.41673 ? 30  ASN A O   1 
ATOM   195  C CB  . ASN A 1 33  ? 25.89909 -21.11371 4.68952  1.000 20.28945 ? 30  ASN A CB  1 
ATOM   196  C CG  . ASN A 1 33  ? 26.66285 -20.39774 3.59350  1.000 22.81646 ? 30  ASN A CG  1 
ATOM   197  O OD1 . ASN A 1 33  ? 26.06717 -19.97754 2.58508  1.000 23.10669 ? 30  ASN A OD1 1 
ATOM   198  N ND2 . ASN A 1 33  ? 27.96197 -20.23580 3.77514  1.000 20.55785 ? 30  ASN A ND2 1 
ATOM   199  N N   . ALA A 1 34  ? 22.69557 -20.84021 6.46411  1.000 17.74760 ? 31  ALA A N   1 
ATOM   200  C CA  . ALA A 1 34  ? 21.65205 -21.58048 7.15934  1.000 21.00047 ? 31  ALA A CA  1 
ATOM   201  C C   . ALA A 1 34  ? 20.54665 -22.02491 6.20741  1.000 21.56009 ? 31  ALA A C   1 
ATOM   202  O O   . ALA A 1 34  ? 20.21253 -21.33938 5.23879  1.000 21.49022 ? 31  ALA A O   1 
ATOM   203  C CB  . ALA A 1 34  ? 21.05122 -20.71755 8.26915  1.000 22.33035 ? 31  ALA A CB  1 
ATOM   204  N N   . SER A 1 35  ? 19.94969 -23.17938 6.51499  1.000 20.54432 ? 32  SER A N   1 
ATOM   205  C CA  . SER A 1 35  ? 18.81563 -23.68630 5.75982  1.000 20.98882 ? 32  SER A CA  1 
ATOM   206  C C   . SER A 1 35  ? 17.83863 -24.34759 6.72191  1.000 23.67369 ? 32  SER A C   1 
ATOM   207  O O   . SER A 1 35  ? 18.24475 -24.95003 7.72070  1.000 22.38968 ? 32  SER A O   1 
ATOM   208  C CB  . SER A 1 35  ? 19.25615 -24.66883 4.66841  1.000 27.31129 ? 32  SER A CB  1 
ATOM   209  O OG  . SER A 1 35  ? 20.14348 -25.63557 5.18592  1.000 26.43257 ? 32  SER A OG  1 
ATOM   210  N N   . GLN A 1 36  ? 16.54611 -24.22168 6.41760  1.000 22.18491 ? 33  GLN A N   1 
ATOM   211  C CA  . GLN A 1 36  ? 15.49216 -24.69542 7.31316  1.000 24.18473 ? 33  GLN A CA  1 
ATOM   212  C C   . GLN A 1 36  ? 14.18066 -24.81552 6.54126  1.000 24.67446 ? 33  GLN A C   1 
ATOM   213  O O   . GLN A 1 36  ? 13.97618 -24.14279 5.53121  1.000 26.96472 ? 33  GLN A O   1 
ATOM   214  C CB  . GLN A 1 36  ? 15.32339 -23.74968 8.50340  1.000 23.78760 ? 33  GLN A CB  1 
ATOM   215  C CG  . GLN A 1 36  ? 14.77097 -22.38939 8.14233  1.000 28.03269 ? 33  GLN A CG  1 
ATOM   216  C CD  . GLN A 1 36  ? 14.71265 -21.44725 9.33246  1.000 35.40101 ? 33  GLN A CD  1 
ATOM   217  O OE1 . GLN A 1 36  ? 15.62975 -21.41276 10.15167 1.000 35.15609 ? 33  GLN A OE1 1 
ATOM   218  N NE2 . GLN A 1 36  ? 13.63630 -20.67762 9.42850  1.000 36.39085 ? 33  GLN A NE2 1 
ATOM   219  N N   . TRP A 1 37  ? 13.27845 -25.67094 7.04509  1.000 27.41338 ? 34  TRP A N   1 
ATOM   220  C CA  . TRP A 1 37  ? 11.97696 -25.86078 6.40094  1.000 28.88746 ? 34  TRP A CA  1 
ATOM   221  C C   . TRP A 1 37  ? 11.00884 -24.73225 6.72305  1.000 30.81534 ? 34  TRP A C   1 
ATOM   222  O O   . TRP A 1 37  ? 10.21524 -24.32415 5.86527  1.000 32.51377 ? 34  TRP A O   1 
ATOM   223  C CB  . TRP A 1 37  ? 11.34618 -27.19226 6.82938  1.000 28.57100 ? 34  TRP A CB  1 
ATOM   224  C CG  . TRP A 1 37  ? 12.10596 -28.40160 6.39223  1.000 28.94991 ? 34  TRP A CG  1 
ATOM   225  C CD1 . TRP A 1 37  ? 12.77299 -29.28298 7.18380  1.000 27.12020 ? 34  TRP A CD1 1 
ATOM   226  C CD2 . TRP A 1 37  ? 12.27445 -28.86205 5.04643  1.000 29.44170 ? 34  TRP A CD2 1 
ATOM   227  N NE1 . TRP A 1 37  ? 13.34945 -30.26619 6.41610  1.000 30.99073 ? 34  TRP A NE1 1 
ATOM   228  C CE2 . TRP A 1 37  ? 13.06116 -30.02587 5.09908  1.000 29.84068 ? 34  TRP A CE2 1 
ATOM   229  C CE3 . TRP A 1 37  ? 11.82785 -28.40390 3.80176  1.000 31.40073 ? 34  TRP A CE3 1 
ATOM   230  C CZ2 . TRP A 1 37  ? 13.40839 -30.74237 3.95873  1.000 34.76191 ? 34  TRP A CZ2 1 
ATOM   231  C CZ3 . TRP A 1 37  ? 12.17500 -29.11004 2.67702  1.000 31.85510 ? 34  TRP A CZ3 1 
ATOM   232  C CH2 . TRP A 1 37  ? 12.96258 -30.26166 2.75678  1.000 35.36392 ? 34  TRP A CH2 1 
ATOM   233  N N   . GLU A 1 38  ? 11.04161 -24.24961 7.96201  1.000 30.32868 ? 35  GLU A N   1 
ATOM   234  C CA  . GLU A 1 38  ? 10.07972 -23.28099 8.45956  1.000 33.34011 ? 35  GLU A CA  1 
ATOM   235  C C   . GLU A 1 38  ? 10.43228 -21.88087 7.97077  1.000 37.95851 ? 35  GLU A C   1 
ATOM   236  O O   . GLU A 1 38  ? 11.60921 -21.53537 7.81941  1.000 34.77150 ? 35  GLU A O   1 
ATOM   237  C CB  . GLU A 1 38  ? 10.05687 -23.30934 9.99484  1.000 40.61233 ? 35  GLU A CB  1 
ATOM   238  C CG  . GLU A 1 38  ? 9.93772  -24.71209 10.63593 1.000 37.99738 ? 35  GLU A CG  1 
ATOM   239  C CD  . GLU A 1 38  ? 11.23252 -25.52887 10.60758 1.000 39.00536 ? 35  GLU A CD  1 
ATOM   240  O OE1 . GLU A 1 38  ? 12.30738 -24.96217 10.30832 1.000 30.75266 ? 35  GLU A OE1 1 
ATOM   241  O OE2 . GLU A 1 38  ? 11.17224 -26.75178 10.88220 1.000 37.91811 ? 35  GLU A OE2 1 
ATOM   242  N N   . ARG A 1 39  ? 9.40319  -21.06926 7.73291  1.000 37.73174 ? 36  ARG A N   1 
ATOM   243  C CA  . ARG A 1 39  ? 9.63221  -19.69147 7.30231  1.000 43.08727 ? 36  ARG A CA  1 
ATOM   244  C C   . ARG A 1 39  ? 10.31649 -18.91546 8.42256  1.000 47.49617 ? 36  ARG A C   1 
ATOM   245  O O   . ARG A 1 39  ? 9.91652  -19.03460 9.58818  1.000 45.54155 ? 36  ARG A O   1 
ATOM   246  C CB  . ARG A 1 39  ? 8.32250  -19.01203 6.91339  1.000 44.24859 ? 36  ARG A CB  1 
ATOM   247  C CG  . ARG A 1 39  ? 8.47023  -17.94956 5.82404  1.000 45.87325 ? 36  ARG A CG  1 
ATOM   248  C CD  . ARG A 1 39  ? 7.12639  -17.36656 5.40476  1.000 49.45372 ? 36  ARG A CD  1 
ATOM   249  N NE  . ARG A 1 39  ? 6.99947  -17.26117 3.95327  1.000 53.46140 ? 36  ARG A NE  1 
ATOM   250  C CZ  . ARG A 1 39  ? 7.20191  -16.15039 3.25642  1.000 53.05891 ? 36  ARG A CZ  1 
ATOM   251  N NH1 . ARG A 1 39  ? 7.54508  -15.01762 3.84746  1.000 57.13721 ? 36  ARG A NH1 1 
ATOM   252  N NH2 . ARG A 1 39  ? 7.05246  -16.17605 1.93338  1.000 53.54349 ? 36  ARG A NH2 1 
ATOM   253  N N   . PRO A 1 40  ? 11.34873 -18.13321 8.12411  1.000 45.18545 ? 37  PRO A N   1 
ATOM   254  C CA  . PRO A 1 40  ? 12.08291 -17.44291 9.18908  1.000 48.13812 ? 37  PRO A CA  1 
ATOM   255  C C   . PRO A 1 40  ? 11.37720 -16.18546 9.67660  1.000 54.07958 ? 37  PRO A C   1 
ATOM   256  O O   . PRO A 1 40  ? 10.67987 -15.49708 8.92472  1.000 56.89362 ? 37  PRO A O   1 
ATOM   257  C CB  . PRO A 1 40  ? 13.41967 -17.09687 8.52211  1.000 44.09859 ? 37  PRO A CB  1 
ATOM   258  C CG  . PRO A 1 40  ? 13.09604 -16.98550 7.07584  1.000 41.27976 ? 37  PRO A CG  1 
ATOM   259  C CD  . PRO A 1 40  ? 11.98267 -17.96713 6.80507  1.000 42.02803 ? 37  PRO A CD  1 
ATOM   260  N N   . SER A 1 41  ? 11.57545 -15.90446 10.96641 1.000 58.48411 ? 38  SER A N   1 
ATOM   261  C CA  . SER A 1 41  ? 11.09820 -14.68409 11.63085 1.000 63.71733 ? 38  SER A CA  1 
ATOM   262  C C   . SER A 1 41  ? 9.63735  -14.34752 11.32792 1.000 68.89106 ? 38  SER A C   1 
ATOM   263  O O   . SER A 1 41  ? 9.02279  -13.52681 12.01239 1.000 68.95666 ? 38  SER A O   1 
ATOM   264  C CB  . SER A 1 41  ? 11.98530 -13.49867 11.24749 1.000 62.01562 ? 38  SER A CB  1 
ATOM   265  O OG  . SER A 1 41  ? 13.35481 -13.83193 11.36779 1.000 56.99412 ? 38  SER A OG  1 
ATOM   266  N N   . GLU A 1 54  ? 19.35831 -3.71439  12.78583 1.000 62.66259 ? 51  GLU A N   1 
ATOM   267  C CA  . GLU A 1 54  ? 20.52586 -4.52239  13.12643 1.000 59.61333 ? 51  GLU A CA  1 
ATOM   268  C C   . GLU A 1 54  ? 21.14165 -4.06811  14.45421 1.000 59.65099 ? 51  GLU A C   1 
ATOM   269  O O   . GLU A 1 54  ? 21.36122 -2.87128  14.66877 1.000 52.92033 ? 51  GLU A O   1 
ATOM   270  C CB  . GLU A 1 54  ? 21.56677 -4.45808  12.00117 1.000 55.69999 ? 51  GLU A CB  1 
ATOM   271  C CG  . GLU A 1 54  ? 22.90369 -5.10079  12.34576 1.000 50.33669 ? 51  GLU A CG  1 
ATOM   272  C CD  . GLU A 1 54  ? 23.91717 -4.98822  11.22521 1.000 43.98228 ? 51  GLU A CD  1 
ATOM   273  O OE1 . GLU A 1 54  ? 23.70282 -5.60798  10.16527 1.000 40.34616 ? 51  GLU A OE1 1 
ATOM   274  O OE2 . GLU A 1 54  ? 24.92527 -4.27241  11.40418 1.000 43.08072 ? 51  GLU A OE2 1 
ATOM   275  N N   . PRO A 1 55  ? 21.41663 -5.02241  15.34411 1.000 58.90084 ? 52  PRO A N   1 
ATOM   276  C CA  . PRO A 1 55  ? 21.98202 -4.66938  16.65084 1.000 58.21770 ? 52  PRO A CA  1 
ATOM   277  C C   . PRO A 1 55  ? 23.40684 -4.15233  16.52929 1.000 55.44879 ? 52  PRO A C   1 
ATOM   278  O O   . PRO A 1 55  ? 24.16441 -4.55201  15.64161 1.000 57.40413 ? 52  PRO A O   1 
ATOM   279  C CB  . PRO A 1 55  ? 21.93619 -5.99278  17.42428 1.000 54.93212 ? 52  PRO A CB  1 
ATOM   280  C CG  . PRO A 1 55  ? 21.95996 -7.03942  16.37513 1.000 54.13256 ? 52  PRO A CG  1 
ATOM   281  C CD  . PRO A 1 55  ? 21.20741 -6.47403  15.20417 1.000 57.88594 ? 52  PRO A CD  1 
ATOM   282  N N   . ALA A 1 56  ? 23.76738 -3.25223  17.44731 1.000 50.27020 ? 53  ALA A N   1 
ATOM   283  C CA  . ALA A 1 56  ? 25.11511 -2.68965  17.44692 1.000 46.59881 ? 53  ALA A CA  1 
ATOM   284  C C   . ALA A 1 56  ? 26.15562 -3.74560  17.79768 1.000 44.47093 ? 53  ALA A C   1 
ATOM   285  O O   . ALA A 1 56  ? 27.26934 -3.73054  17.25973 1.000 40.38238 ? 53  ALA A O   1 
ATOM   286  C CB  . ALA A 1 56  ? 25.19569 -1.51373  18.41705 1.000 49.06286 ? 53  ALA A CB  1 
ATOM   287  N N   . ARG A 1 57  ? 25.81511 -4.66931  18.69814 1.000 43.23093 ? 54  ARG A N   1 
ATOM   288  C CA  . ARG A 1 57  ? 26.72932 -5.72484  19.11167 1.000 35.68547 ? 54  ARG A CA  1 
ATOM   289  C C   . ARG A 1 57  ? 25.98728 -7.05134  19.13881 1.000 35.05551 ? 54  ARG A C   1 
ATOM   290  O O   . ARG A 1 57  ? 24.77923 -7.10100  19.38252 1.000 31.87514 ? 54  ARG A O   1 
ATOM   291  C CB  . ARG A 1 57  ? 27.34666 -5.44272  20.49669 1.000 40.05239 ? 54  ARG A CB  1 
ATOM   292  C CG  . ARG A 1 57  ? 27.36893 -3.98654  20.88488 1.000 45.92459 ? 54  ARG A CG  1 
ATOM   293  C CD  . ARG A 1 57  ? 28.31969 -3.71733  22.02860 1.000 50.57219 ? 54  ARG A CD  1 
ATOM   294  N NE  . ARG A 1 57  ? 29.70533 -3.78280  21.58215 1.000 52.18661 ? 54  ARG A NE  1 
ATOM   295  C CZ  . ARG A 1 57  ? 30.61598 -4.61352  22.07012 1.000 49.61383 ? 54  ARG A CZ  1 
ATOM   296  N NH1 . ARG A 1 57  ? 30.32965 -5.45126  23.05289 1.000 48.88588 ? 54  ARG A NH1 1 
ATOM   297  N NH2 . ARG A 1 57  ? 31.85109 -4.58751  21.57094 1.000 51.05529 ? 54  ARG A NH2 1 
ATOM   298  N N   . VAL A 1 58  ? 26.71964 -8.12822  18.84788 1.000 29.26770 ? 55  VAL A N   1 
ATOM   299  C CA  . VAL A 1 58  ? 26.23005 -9.48590  19.02619 1.000 28.95460 ? 55  VAL A CA  1 
ATOM   300  C C   . VAL A 1 58  ? 27.27509 -10.25625 19.81492 1.000 28.16305 ? 55  VAL A C   1 
ATOM   301  O O   . VAL A 1 58  ? 28.45614 -9.90260  19.84030 1.000 30.97133 ? 55  VAL A O   1 
ATOM   302  C CB  . VAL A 1 58  ? 25.94196 -10.20324 17.68927 1.000 24.70334 ? 55  VAL A CB  1 
ATOM   303  C CG1 . VAL A 1 58  ? 24.87101 -9.45799  16.90940 1.000 28.47263 ? 55  VAL A CG1 1 
ATOM   304  C CG2 . VAL A 1 58  ? 27.22045 -10.33971 16.88834 1.000 28.81705 ? 55  VAL A CG2 1 
ATOM   305  N N   . ARG A 1 59  ? 26.82301 -11.31319 20.47675 1.000 25.68690 ? 56  ARG A N   1 
ATOM   306  C CA  . ARG A 1 59  ? 27.71989 -12.26461 21.11113 1.000 23.96678 ? 56  ARG A CA  1 
ATOM   307  C C   . ARG A 1 59  ? 27.57381 -13.59201 20.38705 1.000 25.19115 ? 56  ARG A C   1 
ATOM   308  O O   . ARG A 1 59  ? 26.45066 -14.01400 20.09632 1.000 25.40455 ? 56  ARG A O   1 
ATOM   309  C CB  . ARG A 1 59  ? 27.39430 -12.42559 22.59653 1.000 27.85648 ? 56  ARG A CB  1 
ATOM   310  C CG  . ARG A 1 59  ? 28.32471 -13.37465 23.32222 1.000 26.41338 ? 56  ARG A CG  1 
ATOM   311  C CD  . ARG A 1 59  ? 27.94817 -13.47929 24.78779 1.000 29.10228 ? 56  ARG A CD  1 
ATOM   312  N NE  . ARG A 1 59  ? 28.85858 -14.35120 25.51468 1.000 30.21920 ? 56  ARG A NE  1 
ATOM   313  C CZ  . ARG A 1 59  ? 28.76276 -14.60754 26.81028 1.000 36.51884 ? 56  ARG A CZ  1 
ATOM   314  N NH1 . ARG A 1 59  ? 27.80855 -14.06691 27.55164 1.000 35.59299 ? 56  ARG A NH1 1 
ATOM   315  N NH2 . ARG A 1 59  ? 29.64240 -15.42844 27.37484 1.000 34.15324 ? 56  ARG A NH2 1 
ATOM   316  N N   . CYS A 1 60  ? 28.69879 -14.24300 20.08195 1.000 24.57685 ? 57  CYS A N   1 
ATOM   317  C CA  . CYS A 1 60  ? 28.64877 -15.51031 19.36461 1.000 20.70630 ? 57  CYS A CA  1 
ATOM   318  C C   . CYS A 1 60  ? 29.59883 -16.52517 19.97524 1.000 22.49879 ? 57  CYS A C   1 
ATOM   319  O O   . CYS A 1 60  ? 30.60969 -16.16920 20.58076 1.000 23.88486 ? 57  CYS A O   1 
ATOM   320  C CB  . CYS A 1 60  ? 29.00709 -15.34080 17.88850 1.000 22.30595 ? 57  CYS A CB  1 
ATOM   321  S SG  . CYS A 1 60  ? 27.77174 -14.39163 17.01362 1.000 22.06152 ? 57  CYS A SG  1 
ATOM   322  N N   . SER A 1 61  ? 29.25627 -17.79858 19.80284 1.000 21.42588 ? 58  SER A N   1 
ATOM   323  C CA  . SER A 1 61  ? 30.18924 -18.90197 19.95884 1.000 20.84769 ? 58  SER A CA  1 
ATOM   324  C C   . SER A 1 61  ? 30.45232 -19.49439 18.57956 1.000 21.75671 ? 58  SER A C   1 
ATOM   325  O O   . SER A 1 61  ? 29.68131 -19.28633 17.63893 1.000 21.38734 ? 58  SER A O   1 
ATOM   326  C CB  . SER A 1 61  ? 29.63662 -19.97680 20.90017 1.000 20.60496 ? 58  SER A CB  1 
ATOM   327  O OG  . SER A 1 61  ? 29.32001 -19.42781 22.16813 1.000 22.53166 ? 58  SER A OG  1 
ATOM   328  N N   . HIS A 1 62  ? 31.56301 -20.21052 18.44284 1.000 20.00233 ? 59  HIS A N   1 
ATOM   329  C CA  . HIS A 1 62  ? 31.83203 -20.84385 17.15787 1.000 19.28656 ? 59  HIS A CA  1 
ATOM   330  C C   . HIS A 1 62  ? 32.58909 -22.15025 17.36855 1.000 20.85558 ? 59  HIS A C   1 
ATOM   331  O O   . HIS A 1 62  ? 33.14581 -22.42008 18.44095 1.000 22.14817 ? 59  HIS A O   1 
ATOM   332  C CB  . HIS A 1 62  ? 32.60340 -19.89870 16.21662 1.000 19.83206 ? 59  HIS A CB  1 
ATOM   333  C CG  . HIS A 1 62  ? 34.05488 -19.74976 16.54603 1.000 20.74994 ? 59  HIS A CG  1 
ATOM   334  N ND1 . HIS A 1 62  ? 35.02664 -19.69180 15.57093 1.000 21.21295 ? 59  HIS A ND1 1 
ATOM   335  C CD2 . HIS A 1 62  ? 34.70547 -19.65522 17.73263 1.000 24.85336 ? 59  HIS A CD2 1 
ATOM   336  C CE1 . HIS A 1 62  ? 36.21284 -19.57178 16.14131 1.000 26.40927 ? 59  HIS A CE1 1 
ATOM   337  N NE2 . HIS A 1 62  ? 36.04418 -19.54055 17.45176 1.000 25.51107 ? 59  HIS A NE2 1 
ATOM   338  N N   . LEU A 1 63  ? 32.56479 -22.97968 16.33430 1.000 18.97076 ? 60  LEU A N   1 
ATOM   339  C CA  . LEU A 1 63  ? 33.37396 -24.18494 16.25370 1.000 17.71056 ? 60  LEU A CA  1 
ATOM   340  C C   . LEU A 1 63  ? 34.15721 -24.07172 14.95992 1.000 21.25231 ? 60  LEU A C   1 
ATOM   341  O O   . LEU A 1 63  ? 33.56094 -23.95483 13.88586 1.000 19.31717 ? 60  LEU A O   1 
ATOM   342  C CB  . LEU A 1 63  ? 32.49267 -25.44022 16.26846 1.000 20.56189 ? 60  LEU A CB  1 
ATOM   343  C CG  . LEU A 1 63  ? 33.08027 -26.85670 16.37128 1.000 19.81586 ? 60  LEU A CG  1 
ATOM   344  C CD1 . LEU A 1 63  ? 31.98829 -27.84871 16.75816 1.000 19.29614 ? 60  LEU A CD1 1 
ATOM   345  C CD2 . LEU A 1 63  ? 33.73170 -27.29635 15.05899 1.000 21.50458 ? 60  LEU A CD2 1 
ATOM   346  N N   . LEU A 1 64  ? 35.47424 -24.09156 15.05260 1.000 19.75800 ? 61  LEU A N   1 
ATOM   347  C CA  . LEU A 1 64  ? 36.32864 -23.93199 13.88210 1.000 21.19221 ? 61  LEU A CA  1 
ATOM   348  C C   . LEU A 1 64  ? 36.93345 -25.27636 13.50938 1.000 20.65284 ? 61  LEU A C   1 
ATOM   349  O O   . LEU A 1 64  ? 37.48621 -25.96102 14.36839 1.000 21.63190 ? 61  LEU A O   1 
ATOM   350  C CB  . LEU A 1 64  ? 37.44060 -22.92515 14.17180 1.000 20.56190 ? 61  LEU A CB  1 
ATOM   351  C CG  . LEU A 1 64  ? 38.49800 -22.79615 13.07978 1.000 19.85398 ? 61  LEU A CG  1 
ATOM   352  C CD1 . LEU A 1 64  ? 37.87379 -22.24711 11.81733 1.000 21.68323 ? 61  LEU A CD1 1 
ATOM   353  C CD2 . LEU A 1 64  ? 39.61820 -21.90025 13.58529 1.000 23.25412 ? 61  LEU A CD2 1 
ATOM   354  N N   . VAL A 1 65  ? 36.83954 -25.65540 12.23248 1.000 19.83507 ? 62  VAL A N   1 
ATOM   355  C CA  . VAL A 1 65  ? 37.60937 -26.78131 11.71340 1.000 20.37887 ? 62  VAL A CA  1 
ATOM   356  C C   . VAL A 1 65  ? 38.62655 -26.21660 10.74466 1.000 21.46272 ? 62  VAL A C   1 
ATOM   357  O O   . VAL A 1 65  ? 38.24768 -25.58610 9.75053  1.000 22.57638 ? 62  VAL A O   1 
ATOM   358  C CB  . VAL A 1 65  ? 36.72915 -27.82698 11.02244 1.000 20.66868 ? 62  VAL A CB  1 
ATOM   359  C CG1 . VAL A 1 65  ? 37.59574 -28.94570 10.47296 1.000 22.69750 ? 62  VAL A CG1 1 
ATOM   360  C CG2 . VAL A 1 65  ? 35.75074 -28.39296 11.99949 1.000 19.67983 ? 62  VAL A CG2 1 
ATOM   361  N N   . LYS A 1 66  ? 39.90648 -26.43574 11.03447 1.000 21.96880 ? 63  LYS A N   1 
ATOM   362  C CA  . LYS A 1 66  ? 40.97547 -25.96089 10.17549 1.000 22.76245 ? 63  LYS A CA  1 
ATOM   363  C C   . LYS A 1 66  ? 41.30551 -26.99317 9.09705  1.000 24.67085 ? 63  LYS A C   1 
ATOM   364  O O   . LYS A 1 66  ? 40.86267 -28.14445 9.13510  1.000 23.33174 ? 63  LYS A O   1 
ATOM   365  C CB  . LYS A 1 66  ? 42.21130 -25.62883 11.00381 1.000 23.44263 ? 63  LYS A CB  1 
ATOM   366  C CG  . LYS A 1 66  ? 42.06369 -24.34741 11.80663 1.000 24.02073 ? 63  LYS A CG  1 
ATOM   367  C CD  . LYS A 1 66  ? 43.38056 -23.96102 12.49666 1.000 25.73848 ? 63  LYS A CD  1 
ATOM   368  C CE  . LYS A 1 66  ? 43.31630 -22.56189 13.08644 1.000 30.54293 ? 63  LYS A CE  1 
ATOM   369  N NZ  . LYS A 1 66  ? 44.66496 -22.12794 13.58343 1.000 33.78494 ? 63  LYS A NZ  1 
ATOM   370  N N   . HIS A 1 67  ? 42.06722 -26.55476 8.09880  1.000 27.68605 ? 64  HIS A N   1 
ATOM   371  C CA  . HIS A 1 67  ? 42.47086 -27.42600 7.00551  1.000 27.67288 ? 64  HIS A CA  1 
ATOM   372  C C   . HIS A 1 67  ? 43.85517 -26.99823 6.53452  1.000 29.32305 ? 64  HIS A C   1 
ATOM   373  O O   . HIS A 1 67  ? 44.42389 -26.02084 7.02798  1.000 30.54745 ? 64  HIS A O   1 
ATOM   374  C CB  . HIS A 1 67  ? 41.44421 -27.40633 5.85909  1.000 27.24688 ? 64  HIS A CB  1 
ATOM   375  C CG  . HIS A 1 67  ? 41.12432 -26.03658 5.34978  1.000 27.13730 ? 64  HIS A CG  1 
ATOM   376  N ND1 . HIS A 1 67  ? 41.99135 -25.31050 4.56301  1.000 28.62337 ? 64  HIS A ND1 1 
ATOM   377  C CD2 . HIS A 1 67  ? 40.02703 -25.26179 5.51458  1.000 27.71513 ? 64  HIS A CD2 1 
ATOM   378  C CE1 . HIS A 1 67  ? 41.44528 -24.14481 4.26849  1.000 30.78329 ? 64  HIS A CE1 1 
ATOM   379  N NE2 . HIS A 1 67  ? 40.25179 -24.09098 4.83259  1.000 27.99727 ? 64  HIS A NE2 1 
ATOM   380  N N   . SER A 1 68  ? 44.38720 -27.72457 5.54454  1.000 29.48511 ? 65  SER A N   1 
ATOM   381  C CA  . SER A 1 68  ? 45.78627 -27.55133 5.16511  1.000 33.86547 ? 65  SER A CA  1 
ATOM   382  C C   . SER A 1 68  ? 46.08002 -26.17591 4.57493  1.000 34.47386 ? 65  SER A C   1 
ATOM   383  O O   . SER A 1 68  ? 47.24622 -25.76357 4.55486  1.000 35.85166 ? 65  SER A O   1 
ATOM   384  C CB  . SER A 1 68  ? 46.20853 -28.64270 4.17805  1.000 34.29125 ? 65  SER A CB  1 
ATOM   385  O OG  . SER A 1 68  ? 45.55452 -28.48940 2.93114  1.000 34.18741 ? 65  SER A OG  1 
ATOM   386  N N   . GLN A 1 69  ? 45.06548 -25.46193 4.09195  1.000 32.63558 ? 66  GLN A N   1 
ATOM   387  C CA  . GLN A 1 69  ? 45.24641 -24.12348 3.54220  1.000 33.57154 ? 66  GLN A CA  1 
ATOM   388  C C   . GLN A 1 69  ? 44.82318 -23.02812 4.52309  1.000 33.92076 ? 66  GLN A C   1 
ATOM   389  O O   . GLN A 1 69  ? 44.77046 -21.85345 4.14105  1.000 35.09172 ? 66  GLN A O   1 
ATOM   390  C CB  . GLN A 1 69  ? 44.47967 -23.97631 2.21771  1.000 36.15513 ? 66  GLN A CB  1 
ATOM   391  C CG  . GLN A 1 69  ? 44.97175 -24.88966 1.09520  1.000 37.83872 ? 66  GLN A CG  1 
ATOM   392  C CD  . GLN A 1 69  ? 44.63382 -24.38033 -0.31161 1.000 42.64288 ? 66  GLN A CD  1 
ATOM   393  O OE1 . GLN A 1 69  ? 43.93864 -23.38053 -0.48008 1.000 41.96945 ? 66  GLN A OE1 1 
ATOM   394  N NE2 . GLN A 1 69  ? 45.14245 -25.07203 -1.32434 1.000 42.93835 ? 66  GLN A NE2 1 
ATOM   395  N N   . SER A 1 70  ? 44.53034 -23.37722 5.77770  1.000 33.02663 ? 67  SER A N   1 
ATOM   396  C CA  . SER A 1 70  ? 44.31401 -22.34927 6.78552  1.000 30.49471 ? 67  SER A CA  1 
ATOM   397  C C   . SER A 1 70  ? 45.55809 -21.48074 6.91514  1.000 30.69430 ? 67  SER A C   1 
ATOM   398  O O   . SER A 1 70  ? 46.68240 -21.94258 6.71832  1.000 36.05194 ? 67  SER A O   1 
ATOM   399  C CB  . SER A 1 70  ? 43.98402 -22.97244 8.14587  1.000 29.00089 ? 67  SER A CB  1 
ATOM   400  O OG  . SER A 1 70  ? 42.71057 -23.59847 8.13596  1.000 27.21869 ? 67  SER A OG  1 
ATOM   401  N N   . ARG A 1 71  ? 45.34311 -20.20823 7.25356  1.000 33.45052 ? 68  ARG A N   1 
ATOM   402  C CA  . ARG A 1 71  ? 46.46585 -19.28422 7.41998  1.000 37.41867 ? 68  ARG A CA  1 
ATOM   403  C C   . ARG A 1 71  ? 47.49458 -19.83288 8.39992  1.000 39.02724 ? 68  ARG A C   1 
ATOM   404  O O   . ARG A 1 71  ? 48.70228 -19.75890 8.15045  1.000 37.17877 ? 68  ARG A O   1 
ATOM   405  C CB  . ARG A 1 71  ? 45.96693 -17.91565 7.88812  1.000 43.28409 ? 68  ARG A CB  1 
ATOM   406  C CG  . ARG A 1 71  ? 47.02389 -16.81897 7.78865  1.000 51.01584 ? 68  ARG A CG  1 
ATOM   407  C CD  . ARG A 1 71  ? 46.87661 -15.77649 8.89408  1.000 56.23640 ? 68  ARG A CD  1 
ATOM   408  N NE  . ARG A 1 71  ? 47.89747 -14.73592 8.79479  1.000 62.24613 ? 68  ARG A NE  1 
ATOM   409  C CZ  . ARG A 1 71  ? 49.08707 -14.78268 9.38401  1.000 59.99033 ? 68  ARG A CZ  1 
ATOM   410  N NH1 . ARG A 1 71  ? 49.44844 -15.81040 10.13770 1.000 59.57032 ? 68  ARG A NH1 1 
ATOM   411  N NH2 . ARG A 1 71  ? 49.93526 -13.77159 9.21492  1.000 59.32597 ? 68  ARG A NH2 1 
ATOM   412  N N   . ARG A 1 72  ? 47.03778 -20.37887 9.52734  1.000 38.47544 ? 69  ARG A N   1 
ATOM   413  C CA  . ARG A 1 72  ? 47.89925 -21.06780 10.48745 1.000 40.93969 ? 69  ARG A CA  1 
ATOM   414  C C   . ARG A 1 72  ? 47.37742 -22.48996 10.61999 1.000 37.32379 ? 69  ARG A C   1 
ATOM   415  O O   . ARG A 1 72  ? 46.46423 -22.74492 11.41650 1.000 36.00611 ? 69  ARG A O   1 
ATOM   416  C CB  . ARG A 1 72  ? 47.90742 -20.36421 11.84262 1.000 41.38110 ? 69  ARG A CB  1 
ATOM   417  C CG  . ARG A 1 72  ? 48.71115 -19.07680 11.89916 1.000 49.07134 ? 69  ARG A CG  1 
ATOM   418  C CD  . ARG A 1 72  ? 48.47101 -18.36768 13.22854 1.000 57.17426 ? 69  ARG A CD  1 
ATOM   419  N NE  . ARG A 1 72  ? 48.34083 -19.31517 14.33292 1.000 55.67317 ? 69  ARG A NE  1 
ATOM   420  C CZ  . ARG A 1 72  ? 49.32033 -19.63594 15.16902 1.000 58.96190 ? 69  ARG A CZ  1 
ATOM   421  N NH1 . ARG A 1 72  ? 50.51597 -19.07199 15.08437 1.000 58.03005 ? 69  ARG A NH1 1 
ATOM   422  N NH2 . ARG A 1 72  ? 49.09400 -20.54348 16.11556 1.000 57.77683 ? 69  ARG A NH2 1 
ATOM   423  N N   . PRO A 1 73  ? 47.90799 -23.44329 9.84399  1.000 35.01501 ? 70  PRO A N   1 
ATOM   424  C CA  . PRO A 1 73  ? 47.38752 -24.83176 9.87452  1.000 34.27943 ? 70  PRO A CA  1 
ATOM   425  C C   . PRO A 1 73  ? 47.89229 -25.60420 11.08904 1.000 35.52071 ? 70  PRO A C   1 
ATOM   426  O O   . PRO A 1 73  ? 48.62011 -26.60309 10.99149 1.000 33.53889 ? 70  PRO A O   1 
ATOM   427  C CB  . PRO A 1 73  ? 47.89805 -25.40562 8.54702  1.000 35.71551 ? 70  PRO A CB  1 
ATOM   428  C CG  . PRO A 1 73  ? 49.12579 -24.62521 8.25204  1.000 33.02075 ? 70  PRO A CG  1 
ATOM   429  C CD  . PRO A 1 73  ? 48.90041 -23.24320 8.77518  1.000 35.93607 ? 70  PRO A CD  1 
ATOM   430  N N   . SER A 1 74  ? 47.48669 -25.12402 12.26260 1.000 31.54765 ? 71  SER A N   1 
ATOM   431  C CA  . SER A 1 74  ? 47.93750 -25.63386 13.55089 1.000 31.67081 ? 71  SER A CA  1 
ATOM   432  C C   . SER A 1 74  ? 46.87446 -25.28233 14.57499 1.000 32.54493 ? 71  SER A C   1 
ATOM   433  O O   . SER A 1 74  ? 46.21772 -24.24624 14.46142 1.000 33.49919 ? 71  SER A O   1 
ATOM   434  C CB  . SER A 1 74  ? 49.29052 -25.02129 13.94699 1.000 34.96782 ? 71  SER A CB  1 
ATOM   435  O OG  . SER A 1 74  ? 49.90734 -25.72171 15.01860 1.000 36.49670 ? 71  SER A OG  1 
ATOM   436  N N   . SER A 1 75  ? 46.70196 -26.15015 15.57040 1.000 32.06535 ? 72  SER A N   1 
ATOM   437  C CA  . SER A 1 75  ? 45.76511 -25.87271 16.65210 1.000 30.39405 ? 72  SER A CA  1 
ATOM   438  C C   . SER A 1 75  ? 46.20839 -26.62293 17.89549 1.000 29.61400 ? 72  SER A C   1 
ATOM   439  O O   . SER A 1 75  ? 47.11916 -27.45239 17.85553 1.000 31.86976 ? 72  SER A O   1 
ATOM   440  C CB  . SER A 1 75  ? 44.32982 -26.27401 16.29105 1.000 30.67867 ? 72  SER A CB  1 
ATOM   441  O OG  . SER A 1 75  ? 44.12243 -27.66949 16.46557 1.000 29.11183 ? 72  SER A OG  1 
ATOM   442  N N   . TRP A 1 76  ? 45.53004 -26.32945 19.01108 1.000 30.64972 ? 73  TRP A N   1 
ATOM   443  C CA  . TRP A 1 76  ? 45.74242 -27.10384 20.22635 1.000 31.12965 ? 73  TRP A CA  1 
ATOM   444  C C   . TRP A 1 76  ? 45.48775 -28.59033 20.01139 1.000 31.30108 ? 73  TRP A C   1 
ATOM   445  O O   . TRP A 1 76  ? 46.05983 -29.41188 20.73449 1.000 31.68255 ? 73  TRP A O   1 
ATOM   446  C CB  . TRP A 1 76  ? 44.85695 -26.57353 21.36250 1.000 32.23149 ? 73  TRP A CB  1 
ATOM   447  C CG  . TRP A 1 76  ? 43.39297 -26.88825 21.22254 1.000 31.06446 ? 73  TRP A CG  1 
ATOM   448  C CD1 . TRP A 1 76  ? 42.44737 -26.14193 20.56475 1.000 28.31518 ? 73  TRP A CD1 1 
ATOM   449  C CD2 . TRP A 1 76  ? 42.70346 -28.03180 21.74524 1.000 31.55055 ? 73  TRP A CD2 1 
ATOM   450  N NE1 . TRP A 1 76  ? 41.22131 -26.74807 20.65608 1.000 29.82533 ? 73  TRP A NE1 1 
ATOM   451  C CE2 . TRP A 1 76  ? 41.35154 -27.91193 21.36784 1.000 28.30698 ? 73  TRP A CE2 1 
ATOM   452  C CE3 . TRP A 1 76  ? 43.09924 -29.14878 22.49110 1.000 30.52752 ? 73  TRP A CE3 1 
ATOM   453  C CZ2 . TRP A 1 76  ? 40.39020 -28.85779 21.72198 1.000 28.44089 ? 73  TRP A CZ2 1 
ATOM   454  C CZ3 . TRP A 1 76  ? 42.14532 -30.09307 22.83082 1.000 31.49922 ? 73  TRP A CZ3 1 
ATOM   455  C CH2 . TRP A 1 76  ? 40.80617 -29.94166 22.44174 1.000 30.16613 ? 73  TRP A CH2 1 
ATOM   456  N N   . ARG A 1 77  ? 44.66860 -28.95854 19.01710 1.000 29.65897 ? 74  ARG A N   1 
ATOM   457  C CA  . ARG A 1 77  ? 44.36187 -30.36521 18.78309 1.000 30.99508 ? 74  ARG A CA  1 
ATOM   458  C C   . ARG A 1 77  ? 45.44957 -31.07516 17.98762 1.000 33.03131 ? 74  ARG A C   1 
ATOM   459  O O   . ARG A 1 77  ? 45.61321 -32.29284 18.12005 1.000 32.82639 ? 74  ARG A O   1 
ATOM   460  C CB  . ARG A 1 77  ? 43.03900 -30.51526 18.02153 1.000 28.78780 ? 74  ARG A CB  1 
ATOM   461  C CG  . ARG A 1 77  ? 41.86280 -29.74859 18.58258 1.000 27.85151 ? 74  ARG A CG  1 
ATOM   462  C CD  . ARG A 1 77  ? 40.53729 -30.27512 18.01241 1.000 27.62110 ? 74  ARG A CD  1 
ATOM   463  N NE  . ARG A 1 77  ? 40.37965 -31.69959 18.26865 1.000 28.38257 ? 74  ARG A NE  1 
ATOM   464  C CZ  . ARG A 1 77  ? 39.91004 -32.57834 17.39488 1.000 28.90443 ? 74  ARG A CZ  1 
ATOM   465  N NH1 . ARG A 1 77  ? 39.46757 -32.20264 16.20468 1.000 29.07022 ? 74  ARG A NH1 1 
ATOM   466  N NH2 . ARG A 1 77  ? 39.89907 -33.86898 17.71662 1.000 30.49699 ? 74  ARG A NH2 1 
ATOM   467  N N   . GLN A 1 78  ? 46.17574 -30.35148 17.14096 1.000 30.05494 ? 75  GLN A N   1 
ATOM   468  C CA  . GLN A 1 78  ? 47.05350 -30.99737 16.16907 1.000 31.73102 ? 75  GLN A CA  1 
ATOM   469  C C   . GLN A 1 78  ? 48.12444 -30.00158 15.76737 1.000 31.56978 ? 75  GLN A C   1 
ATOM   470  O O   . GLN A 1 78  ? 47.79167 -28.89600 15.33869 1.000 31.69765 ? 75  GLN A O   1 
ATOM   471  C CB  . GLN A 1 78  ? 46.22331 -31.43055 14.97136 1.000 32.41458 ? 75  GLN A CB  1 
ATOM   472  C CG  . GLN A 1 78  ? 46.81103 -32.45739 14.05686 1.000 39.44408 ? 75  GLN A CG  1 
ATOM   473  C CD  . GLN A 1 78  ? 45.80737 -32.84838 12.99120 1.000 38.59692 ? 75  GLN A CD  1 
ATOM   474  O OE1 . GLN A 1 78  ? 44.79274 -32.16545 12.79918 1.000 34.87397 ? 75  GLN A OE1 1 
ATOM   475  N NE2 . GLN A 1 78  ? 46.07173 -33.94878 12.30111 1.000 43.02737 ? 75  GLN A NE2 1 
ATOM   476  N N   . GLU A 1 79  ? 49.40302 -30.36676 15.92793 1.000 30.87788 ? 76  GLU A N   1 
ATOM   477  C CA  . GLU A 1 79  ? 50.45971 -29.39952 15.64885 1.000 32.31445 ? 76  GLU A CA  1 
ATOM   478  C C   . GLU A 1 79  ? 50.53900 -29.07109 14.16311 1.000 33.45937 ? 76  GLU A C   1 
ATOM   479  O O   . GLU A 1 79  ? 50.82401 -27.92635 13.79045 1.000 35.95167 ? 76  GLU A O   1 
ATOM   480  C CB  . GLU A 1 79  ? 51.81062 -29.91567 16.14503 1.000 34.53824 ? 76  GLU A CB  1 
ATOM   481  C CG  . GLU A 1 79  ? 52.88190 -28.84138 16.11803 1.000 36.09574 ? 76  GLU A CG  1 
ATOM   482  C CD  . GLU A 1 79  ? 54.17847 -29.30977 16.71037 1.000 38.46401 ? 76  GLU A CD  1 
ATOM   483  O OE1 . GLU A 1 79  ? 54.23976 -30.49079 17.10029 1.000 38.88580 ? 76  GLU A OE1 1 
ATOM   484  O OE2 . GLU A 1 79  ? 55.12853 -28.50134 16.79503 1.000 40.06786 ? 76  GLU A OE2 1 
ATOM   485  N N   . LYS A 1 80  ? 50.30415 -30.06128 13.30417 1.000 32.77689 ? 77  LYS A N   1 
ATOM   486  C CA  . LYS A 1 80  ? 50.27261 -29.87669 11.85287 1.000 36.14899 ? 77  LYS A CA  1 
ATOM   487  C C   . LYS A 1 80  ? 48.93137 -30.38349 11.33396 1.000 33.85558 ? 77  LYS A C   1 
ATOM   488  O O   . LYS A 1 80  ? 48.66917 -31.59038 11.34053 1.000 34.75260 ? 77  LYS A O   1 
ATOM   489  C CB  . LYS A 1 80  ? 51.43204 -30.60705 11.18221 1.000 36.02660 ? 77  LYS A CB  1 
ATOM   490  C CG  . LYS A 1 80  ? 51.49270 -30.43673 9.66789  1.000 36.54491 ? 77  LYS A CG  1 
ATOM   491  C CD  . LYS A 1 80  ? 52.65124 -31.22710 9.09483  1.000 41.08079 ? 77  LYS A CD  1 
ATOM   492  C CE  . LYS A 1 80  ? 52.78516 -31.02853 7.58489  1.000 48.99167 ? 77  LYS A CE  1 
ATOM   493  N NZ  . LYS A 1 80  ? 53.15495 -29.63278 7.20969  1.000 51.95111 ? 77  LYS A NZ  1 
ATOM   494  N N   . ILE A 1 81  ? 48.08506 -29.47430 10.87917 1.000 32.84711 ? 78  ILE A N   1 
ATOM   495  C CA  . ILE A 1 81  ? 46.77592 -29.85332 10.36889 1.000 28.60918 ? 78  ILE A CA  1 
ATOM   496  C C   . ILE A 1 81  ? 46.89671 -30.13497 8.87839  1.000 34.66054 ? 78  ILE A C   1 
ATOM   497  O O   . ILE A 1 81  ? 47.30899 -29.26751 8.10023  1.000 32.42816 ? 78  ILE A O   1 
ATOM   498  C CB  . ILE A 1 81  ? 45.73301 -28.77431 10.66977 1.000 32.57187 ? 78  ILE A CB  1 
ATOM   499  C CG1 . ILE A 1 81  ? 45.56981 -28.70183 12.19135 1.000 32.48367 ? 78  ILE A CG1 1 
ATOM   500  C CG2 . ILE A 1 81  ? 44.42633 -29.10785 9.97176  1.000 29.93220 ? 78  ILE A CG2 1 
ATOM   501  C CD1 . ILE A 1 81  ? 44.57183 -27.72222 12.68801 1.000 32.33702 ? 78  ILE A CD1 1 
ATOM   502  N N   . THR A 1 82  ? 46.56436 -31.36575 8.49333  1.000 32.55566 ? 79  THR A N   1 
ATOM   503  C CA  . THR A 1 82  ? 46.80126 -31.88075 7.15600  1.000 31.81076 ? 79  THR A CA  1 
ATOM   504  C C   . THR A 1 82  ? 45.52212 -32.13412 6.37524  1.000 32.99268 ? 79  THR A C   1 
ATOM   505  O O   . THR A 1 82  ? 45.59143 -32.36739 5.16191  1.000 35.65167 ? 79  THR A O   1 
ATOM   506  C CB  . THR A 1 82  ? 47.58965 -33.19258 7.24567  1.000 36.94570 ? 79  THR A CB  1 
ATOM   507  O OG1 . THR A 1 82  ? 46.93525 -34.06447 8.17737  1.000 40.62058 ? 79  THR A OG1 1 
ATOM   508  C CG2 . THR A 1 82  ? 49.00613 -32.92797 7.72401  1.000 35.09453 ? 79  THR A CG2 1 
ATOM   509  N N   . ARG A 1 83  ? 44.36883 -32.12222 7.03211  1.000 34.37318 ? 80  ARG A N   1 
ATOM   510  C CA  . ARG A 1 83  ? 43.13529 -32.45411 6.33547  1.000 31.80040 ? 80  ARG A CA  1 
ATOM   511  C C   . ARG A 1 83  ? 42.88411 -31.45677 5.20854  1.000 33.14002 ? 80  ARG A C   1 
ATOM   512  O O   . ARG A 1 83  ? 43.29816 -30.29557 5.26610  1.000 28.59861 ? 80  ARG A O   1 
ATOM   513  C CB  . ARG A 1 83  ? 41.95754 -32.50316 7.31299  1.000 29.47292 ? 80  ARG A CB  1 
ATOM   514  C CG  . ARG A 1 83  ? 41.45715 -31.16104 7.80936  1.000 28.68438 ? 80  ARG A CG  1 
ATOM   515  C CD  . ARG A 1 83  ? 40.24369 -31.31940 8.71108  1.000 26.29776 ? 80  ARG A CD  1 
ATOM   516  N NE  . ARG A 1 83  ? 40.53375 -32.02307 9.95794  1.000 29.54219 ? 80  ARG A NE  1 
ATOM   517  C CZ  . ARG A 1 83  ? 40.86818 -31.42869 11.09642 1.000 29.50926 ? 80  ARG A CZ  1 
ATOM   518  N NH1 . ARG A 1 83  ? 41.03210 -30.11587 11.16992 1.000 25.50719 ? 80  ARG A NH1 1 
ATOM   519  N NH2 . ARG A 1 83  ? 41.02579 -32.16643 12.19269 1.000 31.40292 ? 80  ARG A NH2 1 
ATOM   520  N N   . THR A 1 84  ? 42.25398 -31.93780 4.14211  1.000 30.96663 ? 81  THR A N   1 
ATOM   521  C CA  . THR A 1 84  ? 41.94288 -31.04152 3.04538  1.000 28.98258 ? 81  THR A CA  1 
ATOM   522  C C   . THR A 1 84  ? 40.75865 -30.16056 3.41985  1.000 28.65217 ? 81  THR A C   1 
ATOM   523  O O   . THR A 1 84  ? 40.01508 -30.44486 4.36181  1.000 25.71652 ? 81  THR A O   1 
ATOM   524  C CB  . THR A 1 84  ? 41.65620 -31.82711 1.76163  1.000 30.64142 ? 81  THR A CB  1 
ATOM   525  O OG1 . THR A 1 84  ? 40.39223 -32.49587 1.86138  1.000 28.91099 ? 81  THR A OG1 1 
ATOM   526  C CG2 . THR A 1 84  ? 42.73163 -32.86345 1.53714  1.000 34.17262 ? 81  THR A CG2 1 
ATOM   527  N N   . LYS A 1 85  ? 40.60290 -29.06041 2.68292  1.000 27.44670 ? 82  LYS A N   1 
ATOM   528  C CA  . LYS A 1 85  ? 39.43171 -28.21645 2.89096  1.000 28.02973 ? 82  LYS A CA  1 
ATOM   529  C C   . LYS A 1 85  ? 38.14247 -29.01239 2.71976  1.000 26.22222 ? 82  LYS A C   1 
ATOM   530  O O   . LYS A 1 85  ? 37.17435 -28.81276 3.46111  1.000 26.37123 ? 82  LYS A O   1 
ATOM   531  C CB  . LYS A 1 85  ? 39.45357 -27.03737 1.92222  1.000 30.62898 ? 82  LYS A CB  1 
ATOM   532  C CG  . LYS A 1 85  ? 38.24649 -26.13006 2.08519  1.000 32.01447 ? 82  LYS A CG  1 
ATOM   533  C CD  . LYS A 1 85  ? 38.22111 -25.09686 0.98315  1.000 36.57793 ? 82  LYS A CD  1 
ATOM   534  C CE  . LYS A 1 85  ? 39.42800 -24.19724 1.08419  1.000 38.70908 ? 82  LYS A CE  1 
ATOM   535  N NZ  . LYS A 1 85  ? 39.59673 -23.32694 -0.11226 1.000 38.80177 ? 82  LYS A NZ  1 
ATOM   536  N N   . GLU A 1 86  ? 38.11774 -29.92435 1.74936  1.000 29.68296 ? 83  GLU A N   1 
ATOM   537  C CA  . GLU A 1 86  ? 36.93075 -30.73523 1.51896  1.000 25.77195 ? 83  GLU A CA  1 
ATOM   538  C C   . GLU A 1 86  ? 36.66450 -31.65638 2.70337  1.000 24.22530 ? 83  GLU A C   1 
ATOM   539  O O   . GLU A 1 86  ? 35.51008 -31.85990 3.09504  1.000 23.53581 ? 83  GLU A O   1 
ATOM   540  C CB  . GLU A 1 86  ? 37.09978 -31.53275 0.22695  1.000 29.56542 ? 83  GLU A CB  1 
ATOM   541  C CG  . GLU A 1 86  ? 37.21825 -30.67411 -1.05393 1.000 38.11852 ? 83  GLU A CG  1 
ATOM   542  C CD  . GLU A 1 86  ? 38.50032 -29.80582 -1.17549 1.000 46.52513 ? 83  GLU A CD  1 
ATOM   543  O OE1 . GLU A 1 86  ? 39.60294 -30.20467 -0.71306 1.000 36.40268 ? 83  GLU A OE1 1 
ATOM   544  O OE2 . GLU A 1 86  ? 38.39331 -28.70240 -1.77310 1.000 52.90111 ? 83  GLU A OE2 1 
ATOM   545  N N   . GLU A 1 87  ? 37.72732 -32.20241 3.30264  1.000 26.35284 ? 84  GLU A N   1 
ATOM   546  C CA  . GLU A 1 87  ? 37.56286 -33.03901 4.49032  1.000 24.14403 ? 84  GLU A CA  1 
ATOM   547  C C   . GLU A 1 87  ? 37.09563 -32.21746 5.68641  1.000 27.48254 ? 84  GLU A C   1 
ATOM   548  O O   . GLU A 1 87  ? 36.29140 -32.69323 6.50002  1.000 24.93981 ? 84  GLU A O   1 
ATOM   549  C CB  . GLU A 1 87  ? 38.87802 -33.76547 4.79622  1.000 28.35119 ? 84  GLU A CB  1 
ATOM   550  C CG  . GLU A 1 87  ? 39.22395 -34.81055 3.73731  1.000 30.96900 ? 84  GLU A CG  1 
ATOM   551  C CD  . GLU A 1 87  ? 40.61654 -35.39903 3.88224  1.000 35.06212 ? 84  GLU A CD  1 
ATOM   552  O OE1 . GLU A 1 87  ? 41.47012 -34.79146 4.55913  1.000 32.27856 ? 84  GLU A OE1 1 
ATOM   553  O OE2 . GLU A 1 87  ? 40.85754 -36.47311 3.29383  1.000 37.44584 ? 84  GLU A OE2 1 
ATOM   554  N N   . ALA A 1 88  ? 37.58446 -30.97910 5.81101  1.000 23.14292 ? 85  ALA A N   1 
ATOM   555  C CA  . ALA A 1 88  ? 37.11112 -30.10210 6.87598  1.000 22.51367 ? 85  ALA A CA  1 
ATOM   556  C C   . ALA A 1 88  ? 35.63219 -29.78883 6.71259  1.000 21.34364 ? 85  ALA A C   1 
ATOM   557  O O   . ALA A 1 88  ? 34.87860 -29.75890 7.69714  1.000 21.12562 ? 85  ALA A O   1 
ATOM   558  C CB  . ALA A 1 88  ? 37.92851 -28.80926 6.89644  1.000 22.78452 ? 85  ALA A CB  1 
ATOM   559  N N   . LEU A 1 89  ? 35.19480 -29.55486 5.47383  1.000 22.25299 ? 86  LEU A N   1 
ATOM   560  C CA  . LEU A 1 89  ? 33.78265 -29.27621 5.24159  1.000 19.35454 ? 86  LEU A CA  1 
ATOM   561  C C   . LEU A 1 89  ? 32.92028 -30.47500 5.61979  1.000 21.82983 ? 86  LEU A C   1 
ATOM   562  O O   . LEU A 1 89  ? 31.83826 -30.31003 6.19790  1.000 22.03956 ? 86  LEU A O   1 
ATOM   563  C CB  . LEU A 1 89  ? 33.55363 -28.89461 3.77362  1.000 21.21046 ? 86  LEU A CB  1 
ATOM   564  C CG  . LEU A 1 89  ? 32.09325 -28.56681 3.44902  1.000 18.70011 ? 86  LEU A CG  1 
ATOM   565  C CD1 . LEU A 1 89  ? 31.59721 -27.41048 4.29556  1.000 21.15928 ? 86  LEU A CD1 1 
ATOM   566  C CD2 . LEU A 1 89  ? 31.96582 -28.23620 1.97289  1.000 22.63496 ? 86  LEU A CD2 1 
ATOM   567  N N   . GLU A 1 90  ? 33.38308 -31.68969 5.30907  1.000 19.72421 ? 87  GLU A N   1 
ATOM   568  C CA  . GLU A 1 90  ? 32.61542 -32.87230 5.69722  1.000 22.69251 ? 87  GLU A CA  1 
ATOM   569  C C   . GLU A 1 90  ? 32.52273 -32.98588 7.21408  1.000 22.67250 ? 87  GLU A C   1 
ATOM   570  O O   . GLU A 1 90  ? 31.47164 -33.36801 7.74753  1.000 23.20243 ? 87  GLU A O   1 
ATOM   571  C CB  . GLU A 1 90  ? 33.23131 -34.13832 5.09926  1.000 28.07837 ? 87  GLU A CB  1 
ATOM   572  C CG  . GLU A 1 90  ? 32.99352 -34.29634 3.61141  1.000 34.03832 ? 87  GLU A CG  1 
ATOM   573  C CD  . GLU A 1 90  ? 33.44352 -35.65282 3.09676  1.000 47.90947 ? 87  GLU A CD  1 
ATOM   574  O OE1 . GLU A 1 90  ? 33.69747 -36.55027 3.93567  1.000 51.87247 ? 87  GLU A OE1 1 
ATOM   575  O OE2 . GLU A 1 90  ? 33.55100 -35.82071 1.85793  1.000 50.78751 ? 87  GLU A OE2 1 
ATOM   576  N N   . LEU A 1 91  ? 33.60449 -32.64670 7.92776  1.000 20.94305 ? 88  LEU A N   1 
ATOM   577  C CA  . LEU A 1 91  ? 33.53718 -32.66581 9.38775  1.000 22.24232 ? 88  LEU A CA  1 
ATOM   578  C C   . LEU A 1 91  ? 32.51064 -31.67085 9.89108  1.000 18.64309 ? 88  LEU A C   1 
ATOM   579  O O   . LEU A 1 91  ? 31.70052 -31.99333 10.77720 1.000 19.32670 ? 88  LEU A O   1 
ATOM   580  C CB  . LEU A 1 91  ? 34.90222 -32.35408 10.00054 1.000 21.49886 ? 88  LEU A CB  1 
ATOM   581  C CG  . LEU A 1 91  ? 35.88465 -33.51201 9.88596  1.000 24.58697 ? 88  LEU A CG  1 
ATOM   582  C CD1 . LEU A 1 91  ? 37.29385 -33.00683 10.13747 1.000 27.61133 ? 88  LEU A CD1 1 
ATOM   583  C CD2 . LEU A 1 91  ? 35.51423 -34.59133 10.89441 1.000 25.69513 ? 88  LEU A CD2 1 
ATOM   584  N N   . ILE A 1 92  ? 32.53115 -30.45482 9.32920  1.000 19.14403 ? 89  ILE A N   1 
ATOM   585  C CA  . ILE A 1 92  ? 31.58853 -29.40245 9.71055  1.000 20.07903 ? 89  ILE A CA  1 
ATOM   586  C C   . ILE A 1 92  ? 30.15345 -29.85186 9.45099  1.000 17.85539 ? 89  ILE A C   1 
ATOM   587  O O   . ILE A 1 92  ? 29.25424 -29.66237 10.28304 1.000 19.27091 ? 89  ILE A O   1 
ATOM   588  C CB  . ILE A 1 92  ? 31.91457 -28.10815 8.93899  1.000 20.70432 ? 89  ILE A CB  1 
ATOM   589  C CG1 . ILE A 1 92  ? 33.16286 -27.43350 9.51407  1.000 19.50201 ? 89  ILE A CG1 1 
ATOM   590  C CG2 . ILE A 1 92  ? 30.73478 -27.15496 8.97102  1.000 22.14023 ? 89  ILE A CG2 1 
ATOM   591  C CD1 . ILE A 1 92  ? 32.87997 -26.68513 10.82270 1.000 20.61977 ? 89  ILE A CD1 1 
ATOM   592  N N   . ASN A 1 93  ? 29.91354 -30.44016 8.27947  1.000 19.57400 ? 90  ASN A N   1 
ATOM   593  C CA  . ASN A 1 93  ? 28.57420 -30.92616 7.94915  1.000 18.57088 ? 90  ASN A CA  1 
ATOM   594  C C   . ASN A 1 93  ? 28.09655 -31.96990 8.95191  1.000 21.45803 ? 90  ASN A C   1 
ATOM   595  O O   . ASN A 1 93  ? 26.93038 -31.95228 9.36832  1.000 22.11177 ? 90  ASN A O   1 
ATOM   596  C CB  . ASN A 1 93  ? 28.56856 -31.50157 6.53899  1.000 21.83283 ? 90  ASN A CB  1 
ATOM   597  C CG  . ASN A 1 93  ? 28.64499 -30.43478 5.46608  1.000 20.34305 ? 90  ASN A CG  1 
ATOM   598  O OD1 . ASN A 1 93  ? 28.25866 -29.28874 5.67880  1.000 26.24256 ? 90  ASN A OD1 1 
ATOM   599  N ND2 . ASN A 1 93  ? 29.08702 -30.83359 4.27605  1.000 25.22078 ? 90  ASN A ND2 1 
ATOM   600  N N   . GLY A 1 94  ? 28.98064 -32.88211 9.35671  1.000 21.58009 ? 91  GLY A N   1 
ATOM   601  C CA  . GLY A 1 94  ? 28.59795 -33.89157 10.33263 1.000 23.17942 ? 91  GLY A CA  1 
ATOM   602  C C   . GLY A 1 94  ? 28.30685 -33.31515 11.70689 1.000 20.64637 ? 91  GLY A C   1 
ATOM   603  O O   . GLY A 1 94  ? 27.41046 -33.79453 12.41129 1.000 22.19841 ? 91  GLY A O   1 
ATOM   604  N N   . TYR A 1 95  ? 29.06251 -32.28855 12.11802 1.000 18.01202 ? 92  TYR A N   1 
ATOM   605  C CA  . TYR A 1 95  ? 28.75932 -31.64284 13.39452 1.000 17.67515 ? 92  TYR A CA  1 
ATOM   606  C C   . TYR A 1 95  ? 27.40770 -30.95033 13.33406 1.000 18.96266 ? 92  TYR A C   1 
ATOM   607  O O   . TYR A 1 95  ? 26.60345 -31.06954 14.26380 1.000 20.60168 ? 92  TYR A O   1 
ATOM   608  C CB  . TYR A 1 95  ? 29.84862 -30.63651 13.76858 1.000 18.01444 ? 92  TYR A CB  1 
ATOM   609  C CG  . TYR A 1 95  ? 31.20828 -31.23721 14.03086 1.000 18.18333 ? 92  TYR A CG  1 
ATOM   610  C CD1 . TYR A 1 95  ? 31.33724 -32.44990 14.70759 1.000 20.65375 ? 92  TYR A CD1 1 
ATOM   611  C CD2 . TYR A 1 95  ? 32.37109 -30.57781 13.62787 1.000 18.73260 ? 92  TYR A CD2 1 
ATOM   612  C CE1 . TYR A 1 95  ? 32.58948 -33.00068 14.95442 1.000 21.59915 ? 92  TYR A CE1 1 
ATOM   613  C CE2 . TYR A 1 95  ? 33.62614 -31.12534 13.87506 1.000 18.72174 ? 92  TYR A CE2 1 
ATOM   614  C CZ  . TYR A 1 95  ? 33.72589 -32.32895 14.53988 1.000 22.13498 ? 92  TYR A CZ  1 
ATOM   615  O OH  . TYR A 1 95  ? 34.96688 -32.87965 14.77944 1.000 23.17177 ? 92  TYR A OH  1 
ATOM   616  N N   . ILE A 1 96  ? 27.13134 -30.24545 12.22439 1.000 18.59813 ? 93  ILE A N   1 
ATOM   617  C CA  . ILE A 1 96  ? 25.83841 -29.58882 12.06699 1.000 18.16590 ? 93  ILE A CA  1 
ATOM   618  C C   . ILE A 1 96  ? 24.71777 -30.61052 12.14270 1.000 20.23590 ? 93  ILE A C   1 
ATOM   619  O O   . ILE A 1 96  ? 23.69278 -30.37019 12.78449 1.000 19.92565 ? 93  ILE A O   1 
ATOM   620  C CB  . ILE A 1 96  ? 25.79946 -28.77959 10.75983 1.000 16.44090 ? 93  ILE A CB  1 
ATOM   621  C CG1 . ILE A 1 96  ? 26.71183 -27.55798 10.87091 1.000 18.33515 ? 93  ILE A CG1 1 
ATOM   622  C CG2 . ILE A 1 96  ? 24.37291 -28.34460 10.42056 1.000 19.20864 ? 93  ILE A CG2 1 
ATOM   623  C CD1 . ILE A 1 96  ? 26.83877 -26.79587 9.53918  1.000 20.93131 ? 93  ILE A CD1 1 
ATOM   624  N N   . GLN A 1 97  ? 24.91043 -31.78870 11.54183 1.000 20.37475 ? 94  GLN A N   1 
ATOM   625  C CA  . GLN A 1 97  ? 23.86771 -32.81079 11.60817 1.000 18.87405 ? 94  GLN A CA  1 
ATOM   626  C C   . GLN A 1 97  ? 23.58727 -33.22730 13.04284 1.000 22.04358 ? 94  GLN A C   1 
ATOM   627  O O   . GLN A 1 97  ? 22.42547 -33.35284 13.44605 1.000 21.55331 ? 94  GLN A O   1 
ATOM   628  C CB  . GLN A 1 97  ? 24.25974 -34.02999 10.78374 1.000 23.96665 ? 94  GLN A CB  1 
ATOM   629  C CG  . GLN A 1 97  ? 24.07311 -33.82812 9.30604  1.000 26.76839 ? 94  GLN A CG  1 
ATOM   630  C CD  . GLN A 1 97  ? 24.47732 -35.05392 8.52523  1.000 32.03691 ? 94  GLN A CD  1 
ATOM   631  O OE1 . GLN A 1 97  ? 25.39346 -35.76913 8.91640  1.000 34.86340 ? 94  GLN A OE1 1 
ATOM   632  N NE2 . GLN A 1 97  ? 23.78011 -35.31808 7.43568  1.000 36.17244 ? 94  GLN A NE2 1 
ATOM   633  N N   . LYS A 1 98  ? 24.64378 -33.48281 13.81423 1.000 21.14566 ? 95  LYS A N   1 
ATOM   634  C CA  . LYS A 1 98  ? 24.47914 -33.93501 15.18858 1.000 22.02523 ? 95  LYS A CA  1 
ATOM   635  C C   . LYS A 1 98  ? 23.88130 -32.84333 16.06508 1.000 21.47273 ? 95  LYS A C   1 
ATOM   636  O O   . LYS A 1 98  ? 23.08544 -33.13162 16.96796 1.000 21.96287 ? 95  LYS A O   1 
ATOM   637  C CB  . LYS A 1 98  ? 25.82607 -34.40673 15.74096 1.000 25.81825 ? 95  LYS A CB  1 
ATOM   638  C CG  . LYS A 1 98  ? 26.29923 -35.68356 15.04995 1.000 30.23266 ? 95  LYS A CG  1 
ATOM   639  C CD  . LYS A 1 98  ? 27.37374 -36.39497 15.85253 1.000 37.81617 ? 95  LYS A CD  1 
ATOM   640  C CE  . LYS A 1 98  ? 27.54234 -37.83156 15.37744 1.000 41.12451 ? 95  LYS A CE  1 
ATOM   641  N NZ  . LYS A 1 98  ? 28.48970 -38.60272 16.23068 1.000 47.88933 ? 95  LYS A NZ  1 
ATOM   642  N N   . ILE A 1 99  ? 24.23709 -31.58893 15.81664 1.000 20.19415 ? 96  ILE A N   1 
ATOM   643  C CA  . ILE A 1 99  ? 23.64487 -30.49961 16.58926 1.000 18.61641 ? 96  ILE A CA  1 
ATOM   644  C C   . ILE A 1 99  ? 22.15964 -30.36708 16.26624 1.000 19.31600 ? 96  ILE A C   1 
ATOM   645  O O   . ILE A 1 99  ? 21.31200 -30.24188 17.16140 1.000 20.34764 ? 96  ILE A O   1 
ATOM   646  C CB  . ILE A 1 99  ? 24.40766 -29.19248 16.32492 1.000 21.00758 ? 96  ILE A CB  1 
ATOM   647  C CG1 . ILE A 1 99  ? 25.83780 -29.32445 16.85435 1.000 20.26844 ? 96  ILE A CG1 1 
ATOM   648  C CG2 . ILE A 1 99  ? 23.67145 -28.02313 16.93883 1.000 20.67278 ? 96  ILE A CG2 1 
ATOM   649  C CD1 . ILE A 1 99  ? 26.78511 -28.27496 16.33427 1.000 21.17198 ? 96  ILE A CD1 1 
ATOM   650  N N   . LYS A 1 100 ? 21.81560 -30.41824 14.97971 1.000 18.46638 ? 97  LYS A N   1 
ATOM   651  C CA  . LYS A 1 100 ? 20.41111 -30.26923 14.59830 1.000 21.59402 ? 97  LYS A CA  1 
ATOM   652  C C   . LYS A 1 100 ? 19.54795 -31.45436 15.02043 1.000 21.98666 ? 97  LYS A C   1 
ATOM   653  O O   . LYS A 1 100 ? 18.34510 -31.28107 15.26885 1.000 21.68706 ? 97  LYS A O   1 
ATOM   654  C CB  . LYS A 1 100 ? 20.29742 -30.07164 13.09187 1.000 18.80550 ? 97  LYS A CB  1 
ATOM   655  C CG  . LYS A 1 100 ? 20.71127 -28.71700 12.61943 1.000 19.11292 ? 97  LYS A CG  1 
ATOM   656  C CD  . LYS A 1 100 ? 20.17512 -28.52686 11.21993 1.000 20.76967 ? 97  LYS A CD  1 
ATOM   657  C CE  . LYS A 1 100 ? 20.35950 -27.12060 10.77499 1.000 21.98422 ? 97  LYS A CE  1 
ATOM   658  N NZ  . LYS A 1 100 ? 19.59256 -26.82582 9.51190  1.000 21.37537 ? 97  LYS A NZ  1 
ATOM   659  N N   . SER A 1 101 ? 20.11118 -32.66627 15.08177 1.000 21.57891 ? 98  SER A N   1 
ATOM   660  C CA  . SER A 1 101 ? 19.36272 -33.81876 15.55970 1.000 21.50873 ? 98  SER A CA  1 
ATOM   661  C C   . SER A 1 101 ? 19.23567 -33.84498 17.07379 1.000 21.76694 ? 98  SER A C   1 
ATOM   662  O O   . SER A 1 101 ? 18.44163 -34.62675 17.59741 1.000 25.88983 ? 98  SER A O   1 
ATOM   663  C CB  . SER A 1 101 ? 20.01218 -35.12949 15.11251 1.000 23.75269 ? 98  SER A CB  1 
ATOM   664  O OG  . SER A 1 101 ? 21.21467 -35.36864 15.81925 1.000 24.69874 ? 98  SER A OG  1 
ATOM   665  N N   . GLY A 1 102 ? 19.99040 -33.00640 17.77479 1.000 23.75914 ? 99  GLY A N   1 
ATOM   666  C CA  . GLY A 1 102 ? 20.04033 -33.06229 19.21953 1.000 26.35583 ? 99  GLY A CA  1 
ATOM   667  C C   . GLY A 1 102 ? 20.88263 -34.18460 19.77353 1.000 24.37833 ? 99  GLY A C   1 
ATOM   668  O O   . GLY A 1 102 ? 20.95855 -34.33152 21.00044 1.000 29.88400 ? 99  GLY A O   1 
ATOM   669  N N   . GLU A 1 103 ? 21.52644 -34.98066 18.91682 1.000 24.06528 ? 100 GLU A N   1 
ATOM   670  C CA  . GLU A 1 103 ? 22.43119 -36.01587 19.41016 1.000 26.62010 ? 100 GLU A CA  1 
ATOM   671  C C   . GLU A 1 103 ? 23.59453 -35.40886 20.18436 1.000 27.48897 ? 100 GLU A C   1 
ATOM   672  O O   . GLU A 1 103 ? 24.08364 -36.00830 21.14778 1.000 27.82204 ? 100 GLU A O   1 
ATOM   673  C CB  . GLU A 1 103 ? 22.95289 -36.86640 18.24678 1.000 29.98242 ? 100 GLU A CB  1 
ATOM   674  C CG  . GLU A 1 103 ? 21.93260 -37.86356 17.68999 1.000 36.36797 ? 100 GLU A CG  1 
ATOM   675  C CD  . GLU A 1 103 ? 22.32386 -38.43225 16.32658 1.000 40.98561 ? 100 GLU A CD  1 
ATOM   676  O OE1 . GLU A 1 103 ? 22.62638 -37.63674 15.40172 1.000 42.69242 ? 100 GLU A OE1 1 
ATOM   677  O OE2 . GLU A 1 103 ? 22.31845 -39.67442 16.17658 1.000 48.65958 ? 100 GLU A OE2 1 
ATOM   678  N N   . GLU A 1 104 ? 24.04371 -34.22660 19.78744 1.000 25.40153 ? 101 GLU A N   1 
ATOM   679  C CA  . GLU A 1 104 ? 25.10283 -33.52375 20.48313 1.000 27.54591 ? 101 GLU A CA  1 
ATOM   680  C C   . GLU A 1 104 ? 24.70727 -32.06808 20.62357 1.000 26.28949 ? 101 GLU A C   1 
ATOM   681  O O   . GLU A 1 104 ? 23.92174 -31.53189 19.84017 1.000 25.31772 ? 101 GLU A O   1 
ATOM   682  C CB  . GLU A 1 104 ? 26.43895 -33.61243 19.73311 1.000 27.64591 ? 101 GLU A CB  1 
ATOM   683  C CG  . GLU A 1 104 ? 26.85686 -35.02421 19.37465 1.000 30.45195 ? 101 GLU A CG  1 
ATOM   684  C CD  . GLU A 1 104 ? 27.55607 -35.72737 20.50335 1.000 36.44827 ? 101 GLU A CD  1 
ATOM   685  O OE1 . GLU A 1 104 ? 27.89904 -35.05151 21.49811 1.000 38.74856 ? 101 GLU A OE1 1 
ATOM   686  O OE2 . GLU A 1 104 ? 27.75708 -36.95858 20.39143 1.000 42.15630 ? 101 GLU A OE2 1 
ATOM   687  N N   . ASP A 1 105 ? 25.29456 -31.43023 21.61323 1.000 23.33853 ? 102 ASP A N   1 
ATOM   688  C CA  . ASP A 1 105 ? 25.11899 -30.01598 21.86696 1.000 26.21314 ? 102 ASP A CA  1 
ATOM   689  C C   . ASP A 1 105 ? 26.25141 -29.23080 21.20482 1.000 21.32968 ? 102 ASP A C   1 
ATOM   690  O O   . ASP A 1 105 ? 27.38561 -29.71452 21.13732 1.000 23.74969 ? 102 ASP A O   1 
ATOM   691  C CB  . ASP A 1 105 ? 25.09799 -29.81896 23.38006 1.000 31.72878 ? 102 ASP A CB  1 
ATOM   692  C CG  . ASP A 1 105 ? 24.96242 -28.41026 23.77479 1.000 39.68823 ? 102 ASP A CG  1 
ATOM   693  O OD1 . ASP A 1 105 ? 23.90131 -27.80524 23.47753 1.000 44.92931 ? 102 ASP A OD1 1 
ATOM   694  O OD2 . ASP A 1 105 ? 25.92748 -27.91378 24.38902 1.000 42.46827 ? 102 ASP A OD2 1 
ATOM   695  N N   . PHE A 1 106 ? 25.93971 -28.02976 20.69003 1.000 20.29538 ? 103 PHE A N   1 
ATOM   696  C CA  . PHE A 1 106 ? 26.96571 -27.18507 20.06578 1.000 21.86113 ? 103 PHE A CA  1 
ATOM   697  C C   . PHE A 1 106 ? 28.17399 -27.00723 20.98416 1.000 23.23260 ? 103 PHE A C   1 
ATOM   698  O O   . PHE A 1 106 ? 29.32324 -27.22546 20.57742 1.000 20.35428 ? 103 PHE A O   1 
ATOM   699  C CB  . PHE A 1 106 ? 26.37345 -25.81363 19.68523 1.000 21.35953 ? 103 PHE A CB  1 
ATOM   700  C CG  . PHE A 1 106 ? 27.36278 -24.87015 19.03693 1.000 23.12825 ? 103 PHE A CG  1 
ATOM   701  C CD1 . PHE A 1 106 ? 28.20641 -24.07944 19.80848 1.000 27.10036 ? 103 PHE A CD1 1 
ATOM   702  C CD2 . PHE A 1 106 ? 27.42723 -24.75814 17.66237 1.000 27.24178 ? 103 PHE A CD2 1 
ATOM   703  C CE1 . PHE A 1 106 ? 29.12030 -23.22637 19.20181 1.000 25.13859 ? 103 PHE A CE1 1 
ATOM   704  C CE2 . PHE A 1 106 ? 28.33804 -23.90152 17.05559 1.000 28.43435 ? 103 PHE A CE2 1 
ATOM   705  C CZ  . PHE A 1 106 ? 29.18226 -23.14533 17.83480 1.000 24.82470 ? 103 PHE A CZ  1 
ATOM   706  N N   . GLU A 1 107 ? 27.92903 -26.60127 22.23333 1.000 23.31247 ? 104 GLU A N   1 
ATOM   707  C CA  . GLU A 1 107 ? 29.03048 -26.30632 23.14778 1.000 23.86748 ? 104 GLU A CA  1 
ATOM   708  C C   . GLU A 1 107 ? 29.89906 -27.52878 23.40695 1.000 22.24970 ? 104 GLU A C   1 
ATOM   709  O O   . GLU A 1 107 ? 31.12800 -27.41173 23.54032 1.000 23.91039 ? 104 GLU A O   1 
ATOM   710  C CB  . GLU A 1 107 ? 28.47997 -25.77302 24.47086 1.000 25.96644 ? 104 GLU A CB  1 
ATOM   711  C CG  . GLU A 1 107 ? 27.79575 -24.43431 24.35243 1.000 29.27400 ? 104 GLU A CG  1 
ATOM   712  C CD  . GLU A 1 107 ? 26.28163 -24.52607 24.18115 1.000 38.53209 ? 104 GLU A CD  1 
ATOM   713  O OE1 . GLU A 1 107 ? 25.77921 -25.45214 23.49500 1.000 32.94262 ? 104 GLU A OE1 1 
ATOM   714  O OE2 . GLU A 1 107 ? 25.58813 -23.64818 24.73542 1.000 40.22904 ? 104 GLU A OE2 1 
ATOM   715  N N   . SER A 1 108 ? 29.28065 -28.70350 23.51947 1.000 23.09277 ? 105 SER A N   1 
ATOM   716  C CA  . SER A 1 108 ? 30.03953 -29.92857 23.73245 1.000 25.86679 ? 105 SER A CA  1 
ATOM   717  C C   . SER A 1 108 ? 30.95465 -30.21906 22.55281 1.000 23.29804 ? 105 SER A C   1 
ATOM   718  O O   . SER A 1 108 ? 32.11415 -30.59978 22.73164 1.000 22.72393 ? 105 SER A O   1 
ATOM   719  C CB  . SER A 1 108 ? 29.08451 -31.09539 23.96275 1.000 32.34356 ? 105 SER A CB  1 
ATOM   720  O OG  . SER A 1 108 ? 29.73017 -32.33342 23.71667 1.000 34.17877 ? 105 SER A OG  1 
ATOM   721  N N   . LEU A 1 109 ? 30.45273 -30.04587 21.33375 1.000 21.17230 ? 106 LEU A N   1 
ATOM   722  C CA  . LEU A 1 109 ? 31.31514 -30.28663 20.18699 1.000 20.32420 ? 106 LEU A CA  1 
ATOM   723  C C   . LEU A 1 109 ? 32.38315 -29.21222 20.07925 1.000 19.33859 ? 106 LEU A C   1 
ATOM   724  O O   . LEU A 1 109 ? 33.51883 -29.50088 19.69298 1.000 24.20207 ? 106 LEU A O   1 
ATOM   725  C CB  . LEU A 1 109 ? 30.49313 -30.35577 18.90253 1.000 19.99682 ? 106 LEU A CB  1 
ATOM   726  C CG  . LEU A 1 109 ? 29.52359 -31.53275 18.83218 1.000 18.57451 ? 106 LEU A CG  1 
ATOM   727  C CD1 . LEU A 1 109 ? 28.74753 -31.50240 17.50797 1.000 19.09212 ? 106 LEU A CD1 1 
ATOM   728  C CD2 . LEU A 1 109 ? 30.25182 -32.83666 18.95796 1.000 20.94690 ? 106 LEU A CD2 1 
ATOM   729  N N   . ALA A 1 110 ? 32.03879 -27.96372 20.38634 1.000 18.23508 ? 107 ALA A N   1 
ATOM   730  C CA  . ALA A 1 110 ? 33.05017 -26.91757 20.30663 1.000 19.55716 ? 107 ALA A CA  1 
ATOM   731  C C   . ALA A 1 110 ? 34.15824 -27.16643 21.31650 1.000 23.57864 ? 107 ALA A C   1 
ATOM   732  O O   . ALA A 1 110 ? 35.34568 -27.02110 20.99513 1.000 21.98002 ? 107 ALA A O   1 
ATOM   733  C CB  . ALA A 1 110 ? 32.41756 -25.54109 20.50819 1.000 20.42283 ? 107 ALA A CB  1 
ATOM   734  N N   . SER A 1 111 ? 33.78889 -27.58083 22.53453 1.000 20.56736 ? 108 SER A N   1 
ATOM   735  C CA  . SER A 1 111 ? 34.77657 -27.85140 23.57695 1.000 21.61815 ? 108 SER A CA  1 
ATOM   736  C C   . SER A 1 111 ? 35.72888 -28.96710 23.18800 1.000 23.20248 ? 108 SER A C   1 
ATOM   737  O O   . SER A 1 111 ? 36.89706 -28.95431 23.59242 1.000 24.19106 ? 108 SER A O   1 
ATOM   738  C CB  . SER A 1 111 ? 34.07156 -28.22439 24.87716 1.000 25.24577 ? 108 SER A CB  1 
ATOM   739  O OG  . SER A 1 111 ? 33.29662 -27.14520 25.35574 1.000 31.90050 ? 108 SER A OG  1 
ATOM   740  N N   . GLN A 1 112 ? 35.24782 -29.94154 22.42356 1.000 21.58164 ? 109 GLN A N   1 
ATOM   741  C CA  . GLN A 1 112 ? 36.02834 -31.12443 22.10038 1.000 22.63412 ? 109 GLN A CA  1 
ATOM   742  C C   . GLN A 1 112 ? 36.80270 -30.98223 20.80629 1.000 25.00837 ? 109 GLN A C   1 
ATOM   743  O O   . GLN A 1 112 ? 37.90316 -31.52562 20.69251 1.000 26.02891 ? 109 GLN A O   1 
ATOM   744  C CB  . GLN A 1 112 ? 35.12224 -32.34368 21.94604 1.000 25.37115 ? 109 GLN A CB  1 
ATOM   745  C CG  . GLN A 1 112 ? 34.50780 -32.83829 23.21406 1.000 25.49858 ? 109 GLN A CG  1 
ATOM   746  C CD  . GLN A 1 112 ? 33.49996 -33.93227 22.96504 1.000 27.91380 ? 109 GLN A CD  1 
ATOM   747  O OE1 . GLN A 1 112 ? 32.29094 -33.68954 23.00280 1.000 32.83990 ? 109 GLN A OE1 1 
ATOM   748  N NE2 . GLN A 1 112 ? 33.98393 -35.15145 22.72696 1.000 24.93879 ? 109 GLN A NE2 1 
ATOM   749  N N   . PHE A 1 113 ? 36.23891 -30.28607 19.82637 1.000 21.35038 ? 110 PHE A N   1 
ATOM   750  C CA  . PHE A 1 113 ? 36.70354 -30.42071 18.45280 1.000 22.93997 ? 110 PHE A CA  1 
ATOM   751  C C   . PHE A 1 113 ? 37.05411 -29.11874 17.75186 1.000 25.04962 ? 110 PHE A C   1 
ATOM   752  O O   . PHE A 1 113 ? 37.58993 -29.17408 16.64017 1.000 23.99774 ? 110 PHE A O   1 
ATOM   753  C CB  . PHE A 1 113 ? 35.65469 -31.17712 17.62092 1.000 23.65987 ? 110 PHE A CB  1 
ATOM   754  C CG  . PHE A 1 113 ? 35.34555 -32.55742 18.15267 1.000 22.64603 ? 110 PHE A CG  1 
ATOM   755  C CD1 . PHE A 1 113 ? 36.35105 -33.50084 18.28724 1.000 24.83752 ? 110 PHE A CD1 1 
ATOM   756  C CD2 . PHE A 1 113 ? 34.04953 -32.91974 18.48680 1.000 24.36229 ? 110 PHE A CD2 1 
ATOM   757  C CE1 . PHE A 1 113 ? 36.07914 -34.76995 18.76554 1.000 25.67662 ? 110 PHE A CE1 1 
ATOM   758  C CE2 . PHE A 1 113 ? 33.77108 -34.19367 18.95471 1.000 22.90826 ? 110 PHE A CE2 1 
ATOM   759  C CZ  . PHE A 1 113 ? 34.78920 -35.11711 19.09920 1.000 26.59361 ? 110 PHE A CZ  1 
ATOM   760  N N   . SER A 1 114 ? 36.80767 -27.96047 18.34706 1.000 22.10071 ? 111 SER A N   1 
ATOM   761  C CA  . SER A 1 114 ? 37.14918 -26.72208 17.66281 1.000 21.84619 ? 111 SER A CA  1 
ATOM   762  C C   . SER A 1 114 ? 38.66254 -26.53217 17.63012 1.000 23.73516 ? 111 SER A C   1 
ATOM   763  O O   . SER A 1 114 ? 39.33777 -26.71215 18.64330 1.000 24.46765 ? 111 SER A O   1 
ATOM   764  C CB  . SER A 1 114 ? 36.47505 -25.53940 18.35193 1.000 22.94594 ? 111 SER A CB  1 
ATOM   765  O OG  . SER A 1 114 ? 36.70752 -24.33076 17.64382 1.000 22.09152 ? 111 SER A OG  1 
ATOM   766  N N   . ASP A 1 115 ? 39.19306 -26.18109 16.45423 1.000 22.87210 ? 112 ASP A N   1 
ATOM   767  C CA  . ASP A 1 115 ? 40.63307 -25.96367 16.24551 1.000 22.39504 ? 112 ASP A CA  1 
ATOM   768  C C   . ASP A 1 115 ? 41.04412 -24.55262 16.66792 1.000 27.88591 ? 112 ASP A C   1 
ATOM   769  O O   . ASP A 1 115 ? 41.66961 -23.79540 15.91859 1.000 29.24823 ? 112 ASP A O   1 
ATOM   770  C CB  . ASP A 1 115 ? 40.99021 -26.19082 14.77983 1.000 23.35417 ? 112 ASP A CB  1 
ATOM   771  C CG  . ASP A 1 115 ? 41.18798 -27.64977 14.43307 1.000 26.00808 ? 112 ASP A CG  1 
ATOM   772  O OD1 . ASP A 1 115 ? 41.92275 -28.34567 15.16749 1.000 25.59784 ? 112 ASP A OD1 1 
ATOM   773  O OD2 . ASP A 1 115 ? 40.64716 -28.08959 13.38774 1.000 24.78853 ? 112 ASP A OD2 1 
ATOM   774  N N   . CYS A 1 116 ? 40.71723 -24.21627 17.91121 1.000 26.98715 ? 113 CYS A N   1 
ATOM   775  C CA  . CYS A 1 116 ? 40.80448 -22.83861 18.36059 1.000 27.22457 ? 113 CYS A CA  1 
ATOM   776  C C   . CYS A 1 116 ? 40.86815 -22.83494 19.88168 1.000 28.12671 ? 113 CYS A C   1 
ATOM   777  O O   . CYS A 1 116 ? 40.23228 -23.67125 20.52864 1.000 26.43440 ? 113 CYS A O   1 
ATOM   778  C CB  . CYS A 1 116 ? 39.59323 -22.05808 17.83624 1.000 27.94954 ? 113 CYS A CB  1 
ATOM   779  S SG  . CYS A 1 116 ? 39.51679 -20.33647 18.28679 1.000 32.06689 ? 113 CYS A SG  1 
ATOM   780  N N   . SER A 1 117 ? 41.65561 -21.91197 20.44704 1.000 28.44697 ? 114 SER A N   1 
ATOM   781  C CA  . SER A 1 117 ? 41.75663 -21.82840 21.90183 1.000 32.75075 ? 114 SER A CA  1 
ATOM   782  C C   . SER A 1 117 ? 40.41807 -21.50997 22.55301 1.000 29.25751 ? 114 SER A C   1 
ATOM   783  O O   . SER A 1 117 ? 40.23228 -21.80104 23.74296 1.000 27.59185 ? 114 SER A O   1 
ATOM   784  C CB  . SER A 1 117 ? 42.79794 -20.77918 22.30597 1.000 36.59611 ? 114 SER A CB  1 
ATOM   785  O OG  . SER A 1 117 ? 42.42912 -19.49359 21.83419 1.000 45.11736 ? 114 SER A OG  1 
ATOM   786  N N   . SER A 1 118 ? 39.47912 -20.92773 21.80440 1.000 26.84087 ? 115 SER A N   1 
ATOM   787  C CA  . SER A 1 118 ? 38.15068 -20.66962 22.33661 1.000 24.62237 ? 115 SER A CA  1 
ATOM   788  C C   . SER A 1 118 ? 37.39097 -21.94813 22.67845 1.000 23.20740 ? 115 SER A C   1 
ATOM   789  O O   . SER A 1 118 ? 36.33936 -21.85925 23.31378 1.000 21.82901 ? 115 SER A O   1 
ATOM   790  C CB  . SER A 1 118 ? 37.33684 -19.82371 21.35556 1.000 25.98714 ? 115 SER A CB  1 
ATOM   791  O OG  . SER A 1 118 ? 37.07563 -20.52435 20.16601 1.000 27.30683 ? 115 SER A OG  1 
ATOM   792  N N   . ALA A 1 119 ? 37.90095 -23.12306 22.29356 1.000 22.08413 ? 116 ALA A N   1 
ATOM   793  C CA  . ALA A 1 119 ? 37.27684 -24.38194 22.69467 1.000 23.48429 ? 116 ALA A CA  1 
ATOM   794  C C   . ALA A 1 119 ? 37.19487 -24.50541 24.21386 1.000 23.47869 ? 116 ALA A C   1 
ATOM   795  O O   . ALA A 1 119 ? 36.22323 -25.05529 24.74532 1.000 22.14485 ? 116 ALA A O   1 
ATOM   796  C CB  . ALA A 1 119 ? 38.05736 -25.55960 22.10584 1.000 24.63093 ? 116 ALA A CB  1 
ATOM   797  N N   . LYS A 1 120 ? 38.20810 -24.00319 24.92794 1.000 22.17410 ? 117 LYS A N   1 
ATOM   798  C CA  . LYS A 1 120 ? 38.17486 -24.05621 26.39063 1.000 21.10825 ? 117 LYS A CA  1 
ATOM   799  C C   . LYS A 1 120 ? 37.01241 -23.26280 26.97018 1.000 22.12479 ? 117 LYS A C   1 
ATOM   800  O O   . LYS A 1 120 ? 36.60245 -23.52404 28.10866 1.000 23.23186 ? 117 LYS A O   1 
ATOM   801  C CB  . LYS A 1 120 ? 39.49779 -23.54726 26.97910 1.000 27.21564 ? 117 LYS A CB  1 
ATOM   802  C CG  . LYS A 1 120 ? 40.67232 -24.47129 26.69503 1.000 34.09562 ? 117 LYS A CG  1 
ATOM   803  C CD  . LYS A 1 120 ? 41.81655 -24.27590 27.69273 1.000 33.06313 ? 117 LYS A CD  1 
ATOM   804  C CE  . LYS A 1 120 ? 42.74876 -25.49285 27.70834 1.000 35.83731 ? 117 LYS A CE  1 
ATOM   805  N NZ  . LYS A 1 120 ? 43.18463 -25.93301 26.34387 1.000 40.53329 ? 117 LYS A NZ  1 
ATOM   806  N N   . ALA A 1 121 ? 36.48085 -22.29755 26.22016 1.000 21.92356 ? 118 ALA A N   1 
ATOM   807  C CA  . ALA A 1 121 ? 35.31701 -21.52077 26.62165 1.000 22.26191 ? 118 ALA A CA  1 
ATOM   808  C C   . ALA A 1 121 ? 34.04087 -21.98952 25.92096 1.000 22.94153 ? 118 ALA A C   1 
ATOM   809  O O   . ALA A 1 121 ? 33.09981 -21.20304 25.75789 1.000 21.10563 ? 118 ALA A O   1 
ATOM   810  C CB  . ALA A 1 121 ? 35.56226 -20.03433 26.35502 1.000 22.69158 ? 118 ALA A CB  1 
ATOM   811  N N   . ARG A 1 122 ? 33.99177 -23.26169 25.52597 1.000 19.33129 ? 119 ARG A N   1 
ATOM   812  C CA  . ARG A 1 122 ? 32.84506 -23.84028 24.83139 1.000 22.09041 ? 119 ARG A CA  1 
ATOM   813  C C   . ARG A 1 122 ? 32.52462 -23.05272 23.57172 1.000 21.54633 ? 119 ARG A C   1 
ATOM   814  O O   . ARG A 1 122 ? 31.36512 -22.93568 23.17090 1.000 23.10714 ? 119 ARG A O   1 
ATOM   815  C CB  . ARG A 1 122 ? 31.61584 -23.92426 25.74350 1.000 21.99482 ? 119 ARG A CB  1 
ATOM   816  C CG  . ARG A 1 122 ? 31.89743 -24.61249 27.05898 1.000 27.07728 ? 119 ARG A CG  1 
ATOM   817  C CD  . ARG A 1 122 ? 30.63334 -24.74857 27.89094 1.000 28.06109 ? 119 ARG A CD  1 
ATOM   818  N NE  . ARG A 1 122 ? 30.74085 -25.87645 28.80438 1.000 37.90879 ? 119 ARG A NE  1 
ATOM   819  C CZ  . ARG A 1 122 ? 29.72477 -26.65222 29.16687 1.000 40.22253 ? 119 ARG A CZ  1 
ATOM   820  N NH1 . ARG A 1 122 ? 28.51387 -26.49206 28.65171 1.000 41.46222 ? 119 ARG A NH1 1 
ATOM   821  N NH2 . ARG A 1 122 ? 29.93395 -27.62637 30.05099 1.000 33.29054 ? 119 ARG A NH2 1 
ATOM   822  N N   . GLY A 1 123 ? 33.55189 -22.46329 22.96657 1.000 21.49863 ? 120 GLY A N   1 
ATOM   823  C CA  . GLY A 1 123 ? 33.39037 -21.74378 21.71791 1.000 21.12774 ? 120 GLY A CA  1 
ATOM   824  C C   . GLY A 1 123 ? 33.09356 -20.26680 21.85605 1.000 23.06418 ? 120 GLY A C   1 
ATOM   825  O O   . GLY A 1 123 ? 33.14895 -19.54523 20.85141 1.000 24.28009 ? 120 GLY A O   1 
ATOM   826  N N   . ASP A 1 124 ? 32.83392 -19.78043 23.06704 1.000 22.14234 ? 121 ASP A N   1 
ATOM   827  C CA  . ASP A 1 124 ? 32.40024 -18.40162 23.25255 1.000 22.98098 ? 121 ASP A CA  1 
ATOM   828  C C   . ASP A 1 124 ? 33.48633 -17.41332 22.83924 1.000 25.69239 ? 121 ASP A C   1 
ATOM   829  O O   . ASP A 1 124 ? 34.64029 -17.52284 23.26465 1.000 24.99715 ? 121 ASP A O   1 
ATOM   830  C CB  . ASP A 1 124 ? 32.01434 -18.18220 24.71797 1.000 22.37835 ? 121 ASP A CB  1 
ATOM   831  C CG  . ASP A 1 124 ? 31.61778 -16.74461 25.01448 1.000 27.64108 ? 121 ASP A CG  1 
ATOM   832  O OD1 . ASP A 1 124 ? 30.91748 -16.12607 24.17466 1.000 26.16815 ? 121 ASP A OD1 1 
ATOM   833  O OD2 . ASP A 1 124 ? 31.98289 -16.24359 26.09980 1.000 29.73516 ? 121 ASP A OD2 1 
ATOM   834  N N   . LEU A 1 125 ? 33.11197 -16.43559 22.00901 1.000 24.83677 ? 122 LEU A N   1 
ATOM   835  C CA  . LEU A 1 125 ? 34.01455 -15.35138 21.64622 1.000 25.09264 ? 122 LEU A CA  1 
ATOM   836  C C   . LEU A 1 125 ? 33.70023 -14.04281 22.35315 1.000 27.68969 ? 122 LEU A C   1 
ATOM   837  O O   . LEU A 1 125 ? 34.46571 -13.08281 22.20486 1.000 29.05297 ? 122 LEU A O   1 
ATOM   838  C CB  . LEU A 1 125 ? 33.97595 -15.11466 20.13408 1.000 27.98352 ? 122 LEU A CB  1 
ATOM   839  C CG  . LEU A 1 125 ? 34.32029 -16.35524 19.32882 1.000 23.07062 ? 122 LEU A CG  1 
ATOM   840  C CD1 . LEU A 1 125 ? 33.98175 -16.08113 17.85928 1.000 28.76666 ? 122 LEU A CD1 1 
ATOM   841  C CD2 . LEU A 1 125 ? 35.78281 -16.72809 19.47398 1.000 29.73465 ? 122 LEU A CD2 1 
ATOM   842  N N   . GLY A 1 126 ? 32.60842 -13.97789 23.11586 1.000 27.12707 ? 123 GLY A N   1 
ATOM   843  C CA  . GLY A 1 126 ? 32.17639 -12.72684 23.70168 1.000 27.91989 ? 123 GLY A CA  1 
ATOM   844  C C   . GLY A 1 126 ? 31.42328 -11.86651 22.70527 1.000 28.59405 ? 123 GLY A C   1 
ATOM   845  O O   . GLY A 1 126 ? 31.07566 -12.29178 21.59708 1.000 27.30411 ? 123 GLY A O   1 
ATOM   846  N N   . ALA A 1 127 ? 31.15546 -10.63651 23.12179 1.000 28.13530 ? 124 ALA A N   1 
ATOM   847  C CA  . ALA A 1 127 ? 30.45122 -9.67578  22.28874 1.000 31.30439 ? 124 ALA A CA  1 
ATOM   848  C C   . ALA A 1 127 ? 31.43234 -8.89927  21.42018 1.000 32.78638 ? 124 ALA A C   1 
ATOM   849  O O   . ALA A 1 127 ? 32.59416 -8.70823  21.77977 1.000 32.89757 ? 124 ALA A O   1 
ATOM   850  C CB  . ALA A 1 127 ? 29.63918 -8.70724  23.14920 1.000 33.04113 ? 124 ALA A CB  1 
ATOM   851  N N   . PHE A 1 128 ? 30.94874 -8.45910  20.25961 1.000 29.13181 ? 125 PHE A N   1 
ATOM   852  C CA  . PHE A 1 128 ? 31.73125 -7.63117  19.35246 1.000 35.30644 ? 125 PHE A CA  1 
ATOM   853  C C   . PHE A 1 128 ? 30.77413 -6.82187  18.49102 1.000 32.00209 ? 125 PHE A C   1 
ATOM   854  O O   . PHE A 1 128 ? 29.60630 -7.17897  18.32485 1.000 32.99952 ? 125 PHE A O   1 
ATOM   855  C CB  . PHE A 1 128 ? 32.66387 -8.47390  18.47199 1.000 31.76141 ? 125 PHE A CB  1 
ATOM   856  C CG  . PHE A 1 128 ? 31.96435 -9.58837  17.74570 1.000 28.28298 ? 125 PHE A CG  1 
ATOM   857  C CD1 . PHE A 1 128 ? 31.84675 -10.84591 18.32360 1.000 26.94381 ? 125 PHE A CD1 1 
ATOM   858  C CD2 . PHE A 1 128 ? 31.41972 -9.38353  16.48932 1.000 30.16510 ? 125 PHE A CD2 1 
ATOM   859  C CE1 . PHE A 1 128 ? 31.20253 -11.88319 17.65865 1.000 30.41707 ? 125 PHE A CE1 1 
ATOM   860  C CE2 . PHE A 1 128 ? 30.76773 -10.42032 15.82200 1.000 26.04090 ? 125 PHE A CE2 1 
ATOM   861  C CZ  . PHE A 1 128 ? 30.66410 -11.66773 16.40390 1.000 27.76285 ? 125 PHE A CZ  1 
ATOM   862  N N   . SER A 1 129 ? 31.27175 -5.70531  17.97213 1.000 37.66157 ? 126 SER A N   1 
ATOM   863  C CA  . SER A 1 129 ? 30.53802 -4.89927  17.00898 1.000 37.02000 ? 126 SER A CA  1 
ATOM   864  C C   . SER A 1 129 ? 31.13221 -5.11739  15.62242 1.000 34.13570 ? 126 SER A C   1 
ATOM   865  O O   . SER A 1 129 ? 32.12411 -5.83250  15.44766 1.000 32.69503 ? 126 SER A O   1 
ATOM   866  C CB  . SER A 1 129 ? 30.56567 -3.42098  17.40041 1.000 38.76889 ? 126 SER A CB  1 
ATOM   867  O OG  . SER A 1 129 ? 31.85219 -3.04856  17.84832 1.000 39.94668 ? 126 SER A OG  1 
ATOM   868  N N   . ARG A 1 130 ? 30.51397 -4.49567  14.62392 1.000 35.02494 ? 127 ARG A N   1 
ATOM   869  C CA  . ARG A 1 130 ? 31.08419 -4.55928  13.28698 1.000 35.35777 ? 127 ARG A CA  1 
ATOM   870  C C   . ARG A 1 130 ? 32.43430 -3.85988  13.25918 1.000 35.59108 ? 127 ARG A C   1 
ATOM   871  O O   . ARG A 1 130 ? 32.68430 -2.90396  14.00270 1.000 35.14478 ? 127 ARG A O   1 
ATOM   872  C CB  . ARG A 1 130 ? 30.14511 -3.93358  12.25498 1.000 34.38644 ? 127 ARG A CB  1 
ATOM   873  C CG  . ARG A 1 130 ? 28.96031 -4.81092  11.89144 1.000 35.36552 ? 127 ARG A CG  1 
ATOM   874  C CD  . ARG A 1 130 ? 28.34889 -4.36913  10.57347 1.000 35.13415 ? 127 ARG A CD  1 
ATOM   875  N NE  . ARG A 1 130 ? 27.22050 -5.20229  10.17328 1.000 36.33279 ? 127 ARG A NE  1 
ATOM   876  C CZ  . ARG A 1 130 ? 27.31516 -6.26522  9.38766  1.000 32.68207 ? 127 ARG A CZ  1 
ATOM   877  N NH1 . ARG A 1 130 ? 28.48421 -6.69250  8.94466  1.000 29.32232 ? 127 ARG A NH1 1 
ATOM   878  N NH2 . ARG A 1 130 ? 26.20825 -6.91048  9.03438  1.000 30.77936 ? 127 ARG A NH2 1 
ATOM   879  N N   . GLY A 1 131 ? 33.31362 -4.35490  12.39527 1.000 35.31692 ? 128 GLY A N   1 
ATOM   880  C CA  . GLY A 1 131 ? 34.64050 -3.79679  12.25983 1.000 35.97520 ? 128 GLY A CA  1 
ATOM   881  C C   . GLY A 1 131 ? 35.70130 -4.45443  13.10831 1.000 36.79731 ? 128 GLY A C   1 
ATOM   882  O O   . GLY A 1 131 ? 36.81482 -3.92853  13.18396 1.000 41.92663 ? 128 GLY A O   1 
ATOM   883  N N   . GLN A 1 132 ? 35.39280 -5.57749  13.75874 1.000 33.24492 ? 129 GLN A N   1 
ATOM   884  C CA  . GLN A 1 132 ? 36.34393 -6.29443  14.60100 1.000 35.27487 ? 129 GLN A CA  1 
ATOM   885  C C   . GLN A 1 132 ? 36.74857 -7.65349  14.05555 1.000 37.15605 ? 129 GLN A C   1 
ATOM   886  O O   . GLN A 1 132 ? 37.91285 -8.03622  14.18285 1.000 41.54526 ? 129 GLN A O   1 
ATOM   887  C CB  . GLN A 1 132 ? 35.76795 -6.48148  16.00802 1.000 38.43818 ? 129 GLN A CB  1 
ATOM   888  C CG  . GLN A 1 132 ? 35.40807 -5.19157  16.72144 1.000 41.37934 ? 129 GLN A CG  1 
ATOM   889  C CD  . GLN A 1 132 ? 34.96250 -5.43956  18.15357 1.000 45.55525 ? 129 GLN A CD  1 
ATOM   890  O OE1 . GLN A 1 132 ? 33.89011 -5.00055  18.57276 1.000 44.09357 ? 129 GLN A OE1 1 
ATOM   891  N NE2 . GLN A 1 132 ? 35.79060 -6.14664  18.91352 1.000 50.53021 ? 129 GLN A NE2 1 
ATOM   892  N N   . MET A 1 133 ? 35.82326 -8.39455  13.45566 1.000 32.95148 ? 130 MET A N   1 
ATOM   893  C CA  . MET A 1 133 ? 36.05779 -9.76373  13.01534 1.000 37.35173 ? 130 MET A CA  1 
ATOM   894  C C   . MET A 1 133 ? 36.23393 -9.82818  11.50043 1.000 32.11860 ? 130 MET A C   1 
ATOM   895  O O   . MET A 1 133 ? 35.88424 -8.89600  10.77416 1.000 33.99378 ? 130 MET A O   1 
ATOM   896  C CB  . MET A 1 133 ? 34.89285 -10.66936 13.43092 1.000 31.92662 ? 130 MET A CB  1 
ATOM   897  C CG  . MET A 1 133 ? 34.58790 -10.70304 14.91856 1.000 37.66687 ? 130 MET A CG  1 
ATOM   898  S SD  . MET A 1 133 ? 35.91232 -11.51453 15.82298 1.000 42.62317 ? 130 MET A SD  1 
ATOM   899  C CE  . MET A 1 133 ? 35.10311 -11.91035 17.38214 1.000 40.28660 ? 130 MET A CE  1 
ATOM   900  N N   . GLN A 1 134 ? 36.76898 -10.95750 11.03179 1.000 31.07302 ? 131 GLN A N   1 
ATOM   901  C CA  . GLN A 1 134 ? 36.89883 -11.18983 9.59558  1.000 29.65930 ? 131 GLN A CA  1 
ATOM   902  C C   . GLN A 1 134 ? 35.53727 -11.10451 8.91759  1.000 30.98313 ? 131 GLN A C   1 
ATOM   903  O O   . GLN A 1 134 ? 34.51903 -11.53455 9.46214  1.000 27.35152 ? 131 GLN A O   1 
ATOM   904  C CB  . GLN A 1 134 ? 37.54168 -12.55194 9.32047  1.000 33.09981 ? 131 GLN A CB  1 
ATOM   905  C CG  . GLN A 1 134 ? 39.01204 -12.65241 9.75382  1.000 38.19393 ? 131 GLN A CG  1 
ATOM   906  C CD  . GLN A 1 134 ? 39.72512 -13.85939 9.15171  1.000 41.78156 ? 131 GLN A CD  1 
ATOM   907  O OE1 . GLN A 1 134 ? 40.21064 -13.80343 8.01936  1.000 50.37291 ? 131 GLN A OE1 1 
ATOM   908  N NE2 . GLN A 1 134 ? 39.78267 -14.95856 9.90249  1.000 40.30906 ? 131 GLN A NE2 1 
ATOM   909  N N   . LYS A 1 135 ? 35.52556 -10.53900 7.71342  1.000 31.44392 ? 132 LYS A N   1 
ATOM   910  C CA  . LYS A 1 135 ? 34.26017 -10.15216 7.09676  1.000 30.33472 ? 132 LYS A CA  1 
ATOM   911  C C   . LYS A 1 135 ? 33.23908 -11.27902 6.95611  1.000 28.58297 ? 132 LYS A C   1 
ATOM   912  O O   . LYS A 1 135 ? 32.06530 -11.05331 7.28766  1.000 30.53428 ? 132 LYS A O   1 
ATOM   913  C CB  . LYS A 1 135 ? 34.54168 -9.50012  5.74373  1.000 32.69211 ? 132 LYS A CB  1 
ATOM   914  C CG  . LYS A 1 135 ? 34.06252 -8.09089  5.71865  1.000 39.35414 ? 132 LYS A CG  1 
ATOM   915  C CD  . LYS A 1 135 ? 32.56211 -8.08954  5.76111  1.000 40.01126 ? 132 LYS A CD  1 
ATOM   916  C CE  . LYS A 1 135 ? 32.04196 -6.81189  6.37786  1.000 42.13365 ? 132 LYS A CE  1 
ATOM   917  N NZ  . LYS A 1 135 ? 30.60679 -6.60616  6.04560  1.000 44.57545 ? 132 LYS A NZ  1 
ATOM   918  N N   . PRO A 1 136 ? 33.58398 -12.47252 6.45857  1.000 29.68544 ? 133 PRO A N   1 
ATOM   919  C CA  . PRO A 1 136 ? 32.54605 -13.50855 6.34885  1.000 27.10108 ? 133 PRO A CA  1 
ATOM   920  C C   . PRO A 1 136 ? 31.97319 -13.88155 7.69424  1.000 23.84675 ? 133 PRO A C   1 
ATOM   921  O O   . PRO A 1 136 ? 30.77887 -14.18227 7.80079  1.000 24.61192 ? 133 PRO A O   1 
ATOM   922  C CB  . PRO A 1 136 ? 33.28637 -14.68771 5.70307  1.000 28.35254 ? 133 PRO A CB  1 
ATOM   923  C CG  . PRO A 1 136 ? 34.51714 -14.11346 5.12803  1.000 32.95475 ? 133 PRO A CG  1 
ATOM   924  C CD  . PRO A 1 136 ? 34.89317 -12.98286 6.02130  1.000 30.48559 ? 133 PRO A CD  1 
ATOM   925  N N   . PHE A 1 137 ? 32.80228 -13.83736 8.73724  1.000 26.26304 ? 134 PHE A N   1 
ATOM   926  C CA  . PHE A 1 137 ? 32.34408 -14.17797 10.07932 1.000 23.49628 ? 134 PHE A CA  1 
ATOM   927  C C   . PHE A 1 137 ? 31.43868 -13.08587 10.63809 1.000 24.35901 ? 134 PHE A C   1 
ATOM   928  O O   . PHE A 1 137 ? 30.38042 -13.37874 11.21195 1.000 21.62394 ? 134 PHE A O   1 
ATOM   929  C CB  . PHE A 1 137 ? 33.55869 -14.40483 10.98431 1.000 24.25723 ? 134 PHE A CB  1 
ATOM   930  C CG  . PHE A 1 137 ? 33.22537 -15.06641 12.29425 1.000 22.03570 ? 134 PHE A CG  1 
ATOM   931  C CD1 . PHE A 1 137 ? 32.72625 -14.33012 13.35747 1.000 24.52501 ? 134 PHE A CD1 1 
ATOM   932  C CD2 . PHE A 1 137 ? 33.40799 -16.43175 12.45936 1.000 21.84138 ? 134 PHE A CD2 1 
ATOM   933  C CE1 . PHE A 1 137 ? 32.40037 -14.95755 14.56099 1.000 21.28558 ? 134 PHE A CE1 1 
ATOM   934  C CE2 . PHE A 1 137 ? 33.09928 -17.05690 13.66423 1.000 24.24697 ? 134 PHE A CE2 1 
ATOM   935  C CZ  . PHE A 1 137 ? 32.59337 -16.31556 14.71436 1.000 23.84104 ? 134 PHE A CZ  1 
ATOM   936  N N   . GLU A 1 138 ? 31.83714 -11.82211 10.46338 1.000 24.25914 ? 135 GLU A N   1 
ATOM   937  C CA  . GLU A 1 138 ? 31.01730 -10.69726 10.89904 1.000 23.96047 ? 135 GLU A CA  1 
ATOM   938  C C   . GLU A 1 138 ? 29.65217 -10.69607 10.21367 1.000 27.18705 ? 135 GLU A C   1 
ATOM   939  O O   . GLU A 1 138 ? 28.61362 -10.57994 10.87834 1.000 24.71084 ? 135 GLU A O   1 
ATOM   940  C CB  . GLU A 1 138 ? 31.75558 -9.38849  10.63449 1.000 25.31357 ? 135 GLU A CB  1 
ATOM   941  C CG  . GLU A 1 138 ? 30.91192 -8.15473  10.83634 1.000 29.03786 ? 135 GLU A CG  1 
ATOM   942  C CD  . GLU A 1 138 ? 31.64360 -6.88848  10.44791 1.000 33.00627 ? 135 GLU A CD  1 
ATOM   943  O OE1 . GLU A 1 138 ? 32.67652 -6.57926  11.07463 1.000 32.33390 ? 135 GLU A OE1 1 
ATOM   944  O OE2 . GLU A 1 138 ? 31.19670 -6.20980  9.50068  1.000 33.23389 ? 135 GLU A OE2 1 
ATOM   945  N N   . ASP A 1 139 ? 29.63150 -10.82423 8.87954  1.000 25.37405 ? 136 ASP A N   1 
ATOM   946  C CA  . ASP A 1 139 ? 28.36167 -10.75634 8.16241  1.000 26.61743 ? 136 ASP A CA  1 
ATOM   947  C C   . ASP A 1 139 ? 27.41586 -11.84457 8.62339  1.000 22.11591 ? 136 ASP A C   1 
ATOM   948  O O   . ASP A 1 139 ? 26.21703 -11.60535 8.79894  1.000 23.84465 ? 136 ASP A O   1 
ATOM   949  C CB  . ASP A 1 139 ? 28.58266 -10.87573 6.65320  1.000 24.99879 ? 136 ASP A CB  1 
ATOM   950  C CG  . ASP A 1 139 ? 29.07014 -9.58608  6.03116  1.000 30.91456 ? 136 ASP A CG  1 
ATOM   951  O OD1 . ASP A 1 139 ? 29.03115 -8.53670  6.70730  1.000 30.96072 ? 136 ASP A OD1 1 
ATOM   952  O OD2 . ASP A 1 139 ? 29.49350 -9.62591  4.85749  1.000 35.09671 ? 136 ASP A OD2 1 
ATOM   953  N N   . ALA A 1 140 ? 27.93185 -13.05207 8.80433  1.000 20.00315 ? 137 ALA A N   1 
ATOM   954  C CA  . ALA A 1 140 ? 27.07108 -14.13987 9.23991  1.000 19.15404 ? 137 ALA A CA  1 
ATOM   955  C C   . ALA A 1 140 ? 26.58189 -13.89266 10.65719 1.000 22.12545 ? 137 ALA A C   1 
ATOM   956  O O   . ALA A 1 140 ? 25.39813 -14.08415 10.94990 1.000 20.97183 ? 137 ALA A O   1 
ATOM   957  C CB  . ALA A 1 140 ? 27.81546 -15.46750 9.14017  1.000 19.80454 ? 137 ALA A CB  1 
ATOM   958  N N   . SER A 1 141 ? 27.46716 -13.40130 11.53017 1.000 20.61383 ? 138 SER A N   1 
ATOM   959  C CA  . SER A 1 141 ? 27.08277 -13.17421 12.91846 1.000 20.46422 ? 138 SER A CA  1 
ATOM   960  C C   . SER A 1 141 ? 25.94531 -12.16937 13.02392 1.000 22.82225 ? 138 SER A C   1 
ATOM   961  O O   . SER A 1 141 ? 24.98112 -12.38897 13.76725 1.000 23.75258 ? 138 SER A O   1 
ATOM   962  C CB  . SER A 1 141 ? 28.29363 -12.70824 13.72265 1.000 22.88535 ? 138 SER A CB  1 
ATOM   963  O OG  . SER A 1 141 ? 29.27078 -13.73462 13.75574 1.000 19.80882 ? 138 SER A OG  1 
ATOM   964  N N   . PHE A 1 142 ? 26.02464 -11.06483 12.27976 1.000 22.21201 ? 139 PHE A N   1 
ATOM   965  C CA  . PHE A 1 142 ? 24.99944 -10.03703 12.40634 1.000 24.82435 ? 139 PHE A CA  1 
ATOM   966  C C   . PHE A 1 142 ? 23.73774 -10.35275 11.61458 1.000 26.49934 ? 139 PHE A C   1 
ATOM   967  O O   . PHE A 1 142 ? 22.71721 -9.68741  11.82448 1.000 31.82692 ? 139 PHE A O   1 
ATOM   968  C CB  . PHE A 1 142 ? 25.57114 -8.67900  11.99747 1.000 26.17987 ? 139 PHE A CB  1 
ATOM   969  C CG  . PHE A 1 142 ? 26.39734 -8.03051  13.07832 1.000 27.62691 ? 139 PHE A CG  1 
ATOM   970  C CD1 . PHE A 1 142 ? 27.73365 -8.34463  13.22832 1.000 27.06562 ? 139 PHE A CD1 1 
ATOM   971  C CD2 . PHE A 1 142 ? 25.82628 -7.12146  13.95422 1.000 32.97716 ? 139 PHE A CD2 1 
ATOM   972  C CE1 . PHE A 1 142 ? 28.49623 -7.76654  14.23993 1.000 31.39110 ? 139 PHE A CE1 1 
ATOM   973  C CE2 . PHE A 1 142 ? 26.57790 -6.53712  14.94777 1.000 34.97331 ? 139 PHE A CE2 1 
ATOM   974  C CZ  . PHE A 1 142 ? 27.91786 -6.86172  15.09068 1.000 32.33432 ? 139 PHE A CZ  1 
ATOM   975  N N   . ALA A 1 143 ? 23.77992 -11.34329 10.72401 1.000 23.94848 ? 140 ALA A N   1 
ATOM   976  C CA  . ALA A 1 143 ? 22.58939 -11.80670 10.02313 1.000 23.53041 ? 140 ALA A CA  1 
ATOM   977  C C   . ALA A 1 143 ? 21.83178 -12.87158 10.80457 1.000 27.93361 ? 140 ALA A C   1 
ATOM   978  O O   . ALA A 1 143 ? 20.67916 -13.17538 10.46855 1.000 26.17317 ? 140 ALA A O   1 
ATOM   979  C CB  . ALA A 1 143 ? 22.97053 -12.34532 8.63395  1.000 24.02529 ? 140 ALA A CB  1 
ATOM   980  N N   . LEU A 1 144 ? 22.43808 -13.42968 11.84650 1.000 24.70923 ? 141 LEU A N   1 
ATOM   981  C CA  . LEU A 1 144 ? 21.75034 -14.40599 12.67613 1.000 24.70064 ? 141 LEU A CA  1 
ATOM   982  C C   . LEU A 1 144 ? 20.83329 -13.71702 13.67696 1.000 25.10473 ? 141 LEU A C   1 
ATOM   983  O O   . LEU A 1 144 ? 21.10203 -12.60509 14.14046 1.000 28.52213 ? 141 LEU A O   1 
ATOM   984  C CB  . LEU A 1 144 ? 22.75039 -15.27467 13.43723 1.000 23.36024 ? 141 LEU A CB  1 
ATOM   985  C CG  . LEU A 1 144 ? 23.61152 -16.23753 12.63238 1.000 21.46591 ? 141 LEU A CG  1 
ATOM   986  C CD1 . LEU A 1 144 ? 24.74310 -16.75794 13.51381 1.000 21.81975 ? 141 LEU A CD1 1 
ATOM   987  C CD2 . LEU A 1 144 ? 22.77460 -17.39670 12.09140 1.000 23.53192 ? 141 LEU A CD2 1 
ATOM   988  N N   . ARG A 1 145 ? 19.74657 -14.39808 14.01581 1.000 24.82522 ? 142 ARG A N   1 
ATOM   989  C CA  . ARG A 1 145 ? 18.91072 -13.99177 15.12907 1.000 33.43717 ? 142 ARG A CA  1 
ATOM   990  C C   . ARG A 1 145 ? 19.43293 -14.64670 16.40297 1.000 30.44461 ? 142 ARG A C   1 
ATOM   991  O O   . ARG A 1 145 ? 20.16414 -15.63710 16.35573 1.000 25.90917 ? 142 ARG A O   1 
ATOM   992  C CB  . ARG A 1 145 ? 17.45919 -14.38700 14.87345 1.000 37.21078 ? 142 ARG A CB  1 
ATOM   993  C CG  . ARG A 1 145 ? 16.91456 -13.87172 13.54338 1.000 38.76266 ? 142 ARG A CG  1 
ATOM   994  C CD  . ARG A 1 145 ? 15.83764 -14.80162 13.01599 1.000 43.88752 ? 142 ARG A CD  1 
ATOM   995  N NE  . ARG A 1 145 ? 16.37296 -16.10995 12.64530 1.000 48.04547 ? 142 ARG A NE  1 
ATOM   996  C CZ  . ARG A 1 145 ? 15.63249 -17.13797 12.24919 1.000 46.13774 ? 142 ARG A CZ  1 
ATOM   997  N NH1 . ARG A 1 145 ? 14.31141 -17.06463 12.21391 1.000 51.34686 ? 142 ARG A NH1 1 
ATOM   998  N NH2 . ARG A 1 145 ? 16.22996 -18.27009 11.88376 1.000 42.22506 ? 142 ARG A NH2 1 
ATOM   999  N N   . THR A 1 146 ? 19.06560 -14.07227 17.54682 1.000 35.12692 ? 143 THR A N   1 
ATOM   1000 C CA  . THR A 1 146 ? 19.51402 -14.62237 18.81774 1.000 31.45697 ? 143 THR A CA  1 
ATOM   1001 C C   . THR A 1 146 ? 19.07840 -16.07464 18.93000 1.000 29.83438 ? 143 THR A C   1 
ATOM   1002 O O   . THR A 1 146 ? 17.90192 -16.39878 18.74584 1.000 31.31703 ? 143 THR A O   1 
ATOM   1003 C CB  . THR A 1 146 ? 18.95692 -13.80702 19.98595 1.000 34.76116 ? 143 THR A CB  1 
ATOM   1004 O OG1 . THR A 1 146 ? 19.56395 -12.51283 19.98899 1.000 39.64811 ? 143 THR A OG1 1 
ATOM   1005 C CG2 . THR A 1 146 ? 19.26362 -14.48966 21.30770 1.000 33.90734 ? 143 THR A CG2 1 
ATOM   1006 N N   . GLY A 1 147 ? 20.03449 -16.95329 19.21416 1.000 26.65741 ? 144 GLY A N   1 
ATOM   1007 C CA  . GLY A 1 147 ? 19.76473 -18.36914 19.33329 1.000 29.48337 ? 144 GLY A CA  1 
ATOM   1008 C C   . GLY A 1 147 ? 19.93299 -19.15720 18.05411 1.000 26.65193 ? 144 GLY A C   1 
ATOM   1009 O O   . GLY A 1 147 ? 19.89829 -20.39226 18.09407 1.000 28.37367 ? 144 GLY A O   1 
ATOM   1010 N N   . GLU A 1 148 ? 20.12888 -18.48340 16.92796 1.000 24.60743 ? 145 GLU A N   1 
ATOM   1011 C CA  . GLU A 1 148 ? 20.21823 -19.12675 15.62679 1.000 21.57413 ? 145 GLU A CA  1 
ATOM   1012 C C   . GLU A 1 148 ? 21.65347 -19.55392 15.31855 1.000 22.50678 ? 145 GLU A C   1 
ATOM   1013 O O   . GLU A 1 148 ? 22.62039 -18.95342 15.79685 1.000 21.82164 ? 145 GLU A O   1 
ATOM   1014 C CB  . GLU A 1 148 ? 19.69385 -18.16896 14.55713 1.000 23.29880 ? 145 GLU A CB  1 
ATOM   1015 C CG  . GLU A 1 148 ? 19.69802 -18.71120 13.16936 1.000 31.36886 ? 145 GLU A CG  1 
ATOM   1016 C CD  . GLU A 1 148 ? 19.12998 -17.72990 12.17187 1.000 31.46750 ? 145 GLU A CD  1 
ATOM   1017 O OE1 . GLU A 1 148 ? 18.86571 -16.55176 12.55001 1.000 30.18087 ? 145 GLU A OE1 1 
ATOM   1018 O OE2 . GLU A 1 148 ? 18.91523 -18.16381 11.01630 1.000 39.38356 ? 145 GLU A OE2 1 
ATOM   1019 N N   . MET A 1 149 ? 21.78011 -20.61366 14.51493 1.000 20.86468 ? 146 MET A N   1 
ATOM   1020 C CA  . MET A 1 149 ? 23.06185 -21.19137 14.13730 1.000 20.70604 ? 146 MET A CA  1 
ATOM   1021 C C   . MET A 1 149 ? 23.28025 -21.03308 12.63656 1.000 19.62194 ? 146 MET A C   1 
ATOM   1022 O O   . MET A 1 149 ? 22.34332 -21.11216 11.83389 1.000 20.52635 ? 146 MET A O   1 
ATOM   1023 C CB  . MET A 1 149 ? 23.13519 -22.67146 14.50763 1.000 21.70268 ? 146 MET A CB  1 
ATOM   1024 C CG  . MET A 1 149 ? 24.50479 -23.31367 14.35108 1.000 22.00764 ? 146 MET A CG  1 
ATOM   1025 S SD  . MET A 1 149 ? 24.52559 -25.04697 14.88475 1.000 23.38421 ? 146 MET A SD  1 
ATOM   1026 C CE  . MET A 1 149 ? 23.59483 -25.81229 13.57725 1.000 24.65434 ? 146 MET A CE  1 
ATOM   1027 N N   . SER A 1 150 ? 24.52323 -20.81169 12.25994 1.000 17.31747 ? 147 SER A N   1 
ATOM   1028 C CA  . SER A 1 150 ? 24.84328 -20.70841 10.84180 1.000 16.17895 ? 147 SER A CA  1 
ATOM   1029 C C   . SER A 1 150 ? 25.05335 -22.07837 10.21723 1.000 16.32382 ? 147 SER A C   1 
ATOM   1030 O O   . SER A 1 150 ? 25.15574 -23.09825 10.89652 1.000 18.34409 ? 147 SER A O   1 
ATOM   1031 C CB  . SER A 1 150 ? 26.11105 -19.88963 10.64725 1.000 18.84399 ? 147 SER A CB  1 
ATOM   1032 O OG  . SER A 1 150 ? 27.24687 -20.65283 11.04549 1.000 19.02437 ? 147 SER A OG  1 
ATOM   1033 N N   . GLY A 1 151 ? 25.19268 -22.07815 8.88840  1.000 17.30069 ? 148 GLY A N   1 
ATOM   1034 C CA  . GLY A 1 151 ? 25.78871 -23.18795 8.18999  1.000 19.01355 ? 148 GLY A CA  1 
ATOM   1035 C C   . GLY A 1 151 ? 27.28874 -22.99086 8.15673  1.000 18.54120 ? 148 GLY A C   1 
ATOM   1036 O O   . GLY A 1 151 ? 27.84553 -22.23948 8.96639  1.000 19.14711 ? 148 GLY A O   1 
ATOM   1037 N N   . PRO A 1 152 ? 27.97745 -23.69402 7.26970  1.000 18.09810 ? 149 PRO A N   1 
ATOM   1038 C CA  . PRO A 1 152 ? 29.43402 -23.51394 7.15928  1.000 18.13843 ? 149 PRO A CA  1 
ATOM   1039 C C   . PRO A 1 152 ? 29.77524 -22.10335 6.70565  1.000 20.32766 ? 149 PRO A C   1 
ATOM   1040 O O   . PRO A 1 152 ? 29.29407 -21.63470 5.67177  1.000 22.23666 ? 149 PRO A O   1 
ATOM   1041 C CB  . PRO A 1 152 ? 29.84483 -24.55199 6.10553  1.000 19.86946 ? 149 PRO A CB  1 
ATOM   1042 C CG  . PRO A 1 152 ? 28.68410 -25.48696 5.97181  1.000 24.92958 ? 149 PRO A CG  1 
ATOM   1043 C CD  . PRO A 1 152 ? 27.45435 -24.70186 6.33341  1.000 20.02613 ? 149 PRO A CD  1 
ATOM   1044 N N   . VAL A 1 153 ? 30.64761 -21.43987 7.46037  1.000 19.34779 ? 150 VAL A N   1 
ATOM   1045 C CA  . VAL A 1 153 ? 31.09893 -20.08827 7.14523  1.000 19.99006 ? 150 VAL A CA  1 
ATOM   1046 C C   . VAL A 1 153 ? 32.60999 -20.12872 6.95345  1.000 21.44457 ? 150 VAL A C   1 
ATOM   1047 O O   . VAL A 1 153 ? 33.34407 -20.58789 7.83462  1.000 19.96884 ? 150 VAL A O   1 
ATOM   1048 C CB  . VAL A 1 153 ? 30.69246 -19.09474 8.24338  1.000 20.00369 ? 150 VAL A CB  1 
ATOM   1049 C CG1 . VAL A 1 153 ? 31.33446 -17.71749 8.02208  1.000 21.60848 ? 150 VAL A CG1 1 
ATOM   1050 C CG2 . VAL A 1 153 ? 29.17150 -18.98980 8.30379  1.000 20.78623 ? 150 VAL A CG2 1 
ATOM   1051 N N   . PHE A 1 154 ? 33.07357 -19.66409 5.80684  1.000 20.92679 ? 151 PHE A N   1 
ATOM   1052 C CA  . PHE A 1 154 ? 34.47226 -19.80462 5.41713  1.000 22.55956 ? 151 PHE A CA  1 
ATOM   1053 C C   . PHE A 1 154 ? 35.24512 -18.51840 5.69132  1.000 24.22784 ? 151 PHE A C   1 
ATOM   1054 O O   . PHE A 1 154 ? 34.82083 -17.43076 5.28528  1.000 25.71585 ? 151 PHE A O   1 
ATOM   1055 C CB  . PHE A 1 154 ? 34.58018 -20.15854 3.93296  1.000 24.56314 ? 151 PHE A CB  1 
ATOM   1056 C CG  . PHE A 1 154 ? 34.02909 -21.51496 3.57086  1.000 22.77708 ? 151 PHE A CG  1 
ATOM   1057 C CD1 . PHE A 1 154 ? 32.65850 -21.72814 3.46480  1.000 23.70092 ? 151 PHE A CD1 1 
ATOM   1058 C CD2 . PHE A 1 154 ? 34.88972 -22.56393 3.27794  1.000 27.77562 ? 151 PHE A CD2 1 
ATOM   1059 C CE1 . PHE A 1 154 ? 32.16054 -22.96823 3.10305  1.000 24.40191 ? 151 PHE A CE1 1 
ATOM   1060 C CE2 . PHE A 1 154 ? 34.39618 -23.80745 2.91804  1.000 24.96787 ? 151 PHE A CE2 1 
ATOM   1061 C CZ  . PHE A 1 154 ? 33.03526 -24.00934 2.83816  1.000 21.78496 ? 151 PHE A CZ  1 
ATOM   1062 N N   . THR A 1 155 ? 36.39412 -18.64797 6.35068  1.000 23.57109 ? 152 THR A N   1 
ATOM   1063 C CA  . THR A 1 155 ? 37.34698 -17.55305 6.49455  1.000 24.04069 ? 152 THR A CA  1 
ATOM   1064 C C   . THR A 1 155 ? 38.74111 -18.07834 6.18297  1.000 28.38100 ? 152 THR A C   1 
ATOM   1065 O O   . THR A 1 155 ? 38.93609 -19.26978 5.92802  1.000 29.23583 ? 152 THR A O   1 
ATOM   1066 C CB  . THR A 1 155 ? 37.32397 -16.94985 7.90368  1.000 27.47016 ? 152 THR A CB  1 
ATOM   1067 O OG1 . THR A 1 155 ? 37.93956 -17.87266 8.80340  1.000 27.23445 ? 152 THR A OG1 1 
ATOM   1068 C CG2 . THR A 1 155 ? 35.90105 -16.66648 8.35537  1.000 27.96015 ? 152 THR A CG2 1 
ATOM   1069 N N   . ASP A 1 156 ? 39.73100 -17.18315 6.21675  1.000 28.13331 ? 153 ASP A N   1 
ATOM   1070 C CA  . ASP A 1 156 ? 41.10691 -17.62533 6.03901  1.000 31.27994 ? 153 ASP A CA  1 
ATOM   1071 C C   . ASP A 1 156 ? 41.55140 -18.59478 7.12419  1.000 29.75758 ? 153 ASP A C   1 
ATOM   1072 O O   . ASP A 1 156 ? 42.50320 -19.34868 6.90480  1.000 34.09543 ? 153 ASP A O   1 
ATOM   1073 C CB  . ASP A 1 156 ? 42.04914 -16.42762 6.00998  1.000 31.40567 ? 153 ASP A CB  1 
ATOM   1074 C CG  . ASP A 1 156 ? 42.05990 -15.73053 4.67239  1.000 38.59347 ? 153 ASP A CG  1 
ATOM   1075 O OD1 . ASP A 1 156 ? 41.28111 -16.12614 3.77067  1.000 38.73432 ? 153 ASP A OD1 1 
ATOM   1076 O OD2 . ASP A 1 156 ? 42.85584 -14.78149 4.52773  1.000 43.18673 ? 153 ASP A OD2 1 
ATOM   1077 N N   . SER A 1 157 ? 40.89126 -18.58811 8.28962  1.000 29.05823 ? 154 SER A N   1 
ATOM   1078 C CA  . SER A 1 157 ? 41.23021 -19.51111 9.36636  1.000 28.22051 ? 154 SER A CA  1 
ATOM   1079 C C   . SER A 1 157 ? 40.74654 -20.92758 9.09015  1.000 28.59673 ? 154 SER A C   1 
ATOM   1080 O O   . SER A 1 157 ? 41.33264 -21.89089 9.59254  1.000 26.06301 ? 154 SER A O   1 
ATOM   1081 C CB  . SER A 1 157 ? 40.60658 -19.04536 10.68660 1.000 31.06729 ? 154 SER A CB  1 
ATOM   1082 O OG  . SER A 1 157 ? 40.93927 -17.69674 10.95195 1.000 43.43808 ? 154 SER A OG  1 
ATOM   1083 N N   . GLY A 1 158 ? 39.68190 -21.07751 8.31481  1.000 26.01406 ? 155 GLY A N   1 
ATOM   1084 C CA  . GLY A 1 158 ? 39.10006 -22.38908 8.10803  1.000 24.58448 ? 155 GLY A CA  1 
ATOM   1085 C C   . GLY A 1 158 ? 37.59840 -22.28768 7.98734  1.000 25.50039 ? 155 GLY A C   1 
ATOM   1086 O O   . GLY A 1 158 ? 37.08752 -21.28871 7.47607  1.000 26.02965 ? 155 GLY A O   1 
ATOM   1087 N N   . ILE A 1 159 ? 36.87175 -23.30556 8.43373  1.000 20.28416 ? 156 ILE A N   1 
ATOM   1088 C CA  . ILE A 1 159 ? 35.42117 -23.34020 8.29232  1.000 18.60099 ? 156 ILE A CA  1 
ATOM   1089 C C   . ILE A 1 159 ? 34.80532 -23.28412 9.68210  1.000 20.94469 ? 156 ILE A C   1 
ATOM   1090 O O   . ILE A 1 159 ? 35.18504 -24.06736 10.56341 1.000 19.19316 ? 156 ILE A O   1 
ATOM   1091 C CB  . ILE A 1 159 ? 34.95982 -24.59423 7.53088  1.000 22.44730 ? 156 ILE A CB  1 
ATOM   1092 C CG1 . ILE A 1 159 ? 35.80343 -24.79009 6.26216  1.000 21.72815 ? 156 ILE A CG1 1 
ATOM   1093 C CG2 . ILE A 1 159 ? 33.50040 -24.46001 7.13230  1.000 20.01658 ? 156 ILE A CG2 1 
ATOM   1094 C CD1 . ILE A 1 159 ? 35.52080 -26.09037 5.53967  1.000 22.36250 ? 156 ILE A CD1 1 
ATOM   1095 N N   . HIS A 1 160 ? 33.85183 -22.36738 9.86840  1.000 19.92903 ? 157 HIS A N   1 
ATOM   1096 C CA  . HIS A 1 160 ? 33.21829 -22.12346 11.16164 1.000 17.56373 ? 157 HIS A CA  1 
ATOM   1097 C C   . HIS A 1 160 ? 31.75711 -22.54894 11.14429 1.000 19.84071 ? 157 HIS A C   1 
ATOM   1098 O O   . HIS A 1 160 ? 31.08567 -22.49506 10.10730 1.000 20.66727 ? 157 HIS A O   1 
ATOM   1099 C CB  . HIS A 1 160 ? 33.23305 -20.63618 11.54767 1.000 19.54872 ? 157 HIS A CB  1 
ATOM   1100 C CG  . HIS A 1 160 ? 34.57227 -19.99081 11.51157 1.000 23.13257 ? 157 HIS A CG  1 
ATOM   1101 N ND1 . HIS A 1 160 ? 35.24199 -19.59922 12.65401 1.000 23.38400 ? 157 HIS A ND1 1 
ATOM   1102 C CD2 . HIS A 1 160 ? 35.34517 -19.61014 10.46934 1.000 21.16364 ? 157 HIS A CD2 1 
ATOM   1103 C CE1 . HIS A 1 160 ? 36.38277 -19.02958 12.31060 1.000 23.13168 ? 157 HIS A CE1 1 
ATOM   1104 N NE2 . HIS A 1 160 ? 36.47014 -19.02661 10.99278 1.000 22.11197 ? 157 HIS A NE2 1 
ATOM   1105 N N   . ILE A 1 161 ? 31.27626 -22.98926 12.31076 1.000 17.96027 ? 158 ILE A N   1 
ATOM   1106 C CA  . ILE A 1 161 ? 29.85611 -22.99353 12.64067 1.000 19.56650 ? 158 ILE A CA  1 
ATOM   1107 C C   . ILE A 1 161 ? 29.67418 -21.91496 13.69130 1.000 19.19823 ? 158 ILE A C   1 
ATOM   1108 O O   . ILE A 1 161 ? 30.43798 -21.86844 14.66577 1.000 19.39766 ? 158 ILE A O   1 
ATOM   1109 C CB  . ILE A 1 161 ? 29.37656 -24.34909 13.18645 1.000 21.75394 ? 158 ILE A CB  1 
ATOM   1110 C CG1 . ILE A 1 161 ? 29.70294 -25.50858 12.24668 1.000 21.78567 ? 158 ILE A CG1 1 
ATOM   1111 C CG2 . ILE A 1 161 ? 27.89360 -24.28957 13.44286 1.000 24.63197 ? 158 ILE A CG2 1 
ATOM   1112 C CD1 . ILE A 1 161 ? 29.46348 -26.88732 12.92687 1.000 23.07112 ? 158 ILE A CD1 1 
ATOM   1113 N N   . ILE A 1 162 ? 28.70405 -21.02511 13.49012 1.000 18.27480 ? 159 ILE A N   1 
ATOM   1114 C CA  . ILE A 1 162 ? 28.53681 -19.86527 14.36877 1.000 17.98520 ? 159 ILE A CA  1 
ATOM   1115 C C   . ILE A 1 162 ? 27.19873 -19.95738 15.08562 1.000 17.87771 ? 159 ILE A C   1 
ATOM   1116 O O   . ILE A 1 162 ? 26.16755 -20.19624 14.45567 1.000 18.99461 ? 159 ILE A O   1 
ATOM   1117 C CB  . ILE A 1 162 ? 28.62679 -18.53946 13.58938 1.000 17.76581 ? 159 ILE A CB  1 
ATOM   1118 C CG1 . ILE A 1 162 ? 29.91454 -18.48211 12.76269 1.000 19.29045 ? 159 ILE A CG1 1 
ATOM   1119 C CG2 . ILE A 1 162 ? 28.48803 -17.36335 14.55365 1.000 21.13601 ? 159 ILE A CG2 1 
ATOM   1120 C CD1 . ILE A 1 162 ? 30.00364 -17.27346 11.80506 1.000 21.38325 ? 159 ILE A CD1 1 
ATOM   1121 N N   . LEU A 1 163 ? 27.20934 -19.75288 16.40267 1.000 18.51534 ? 160 LEU A N   1 
ATOM   1122 C CA  . LEU A 1 163 ? 25.97957 -19.71943 17.18874 1.000 19.23132 ? 160 LEU A CA  1 
ATOM   1123 C C   . LEU A 1 163 ? 25.84599 -18.33465 17.80277 1.000 21.81664 ? 160 LEU A C   1 
ATOM   1124 O O   . LEU A 1 163 ? 26.69635 -17.93385 18.60460 1.000 21.99464 ? 160 LEU A O   1 
ATOM   1125 C CB  . LEU A 1 163 ? 25.99644 -20.77914 18.29412 1.000 21.19260 ? 160 LEU A CB  1 
ATOM   1126 C CG  . LEU A 1 163 ? 24.80969 -20.77542 19.25622 1.000 21.31054 ? 160 LEU A CG  1 
ATOM   1127 C CD1 . LEU A 1 163 ? 23.50961 -21.07200 18.55046 1.000 21.38637 ? 160 LEU A CD1 1 
ATOM   1128 C CD2 . LEU A 1 163 ? 25.03626 -21.78123 20.37182 1.000 22.55381 ? 160 LEU A CD2 1 
ATOM   1129 N N   . ARG A 1 164 ? 24.78347 -17.60769 17.44323 1.000 20.91070 ? 161 ARG A N   1 
ATOM   1130 C CA  . ARG A 1 164 ? 24.55364 -16.30157 18.05094 1.000 23.09357 ? 161 ARG A CA  1 
ATOM   1131 C C   . ARG A 1 164 ? 23.84191 -16.50121 19.37773 1.000 22.62909 ? 161 ARG A C   1 
ATOM   1132 O O   . ARG A 1 164 ? 22.74239 -17.06459 19.41518 1.000 25.31263 ? 161 ARG A O   1 
ATOM   1133 C CB  . ARG A 1 164 ? 23.73067 -15.38120 17.15314 1.000 22.56407 ? 161 ARG A CB  1 
ATOM   1134 C CG  . ARG A 1 164 ? 23.51592 -14.03943 17.84687 1.000 23.82954 ? 161 ARG A CG  1 
ATOM   1135 C CD  . ARG A 1 164 ? 22.73850 -13.02269 17.02628 1.000 26.93951 ? 161 ARG A CD  1 
ATOM   1136 N NE  . ARG A 1 164 ? 22.41353 -11.87050 17.86261 1.000 28.27720 ? 161 ARG A NE  1 
ATOM   1137 C CZ  . ARG A 1 164 ? 21.54708 -10.92031 17.54328 1.000 33.70418 ? 161 ARG A CZ  1 
ATOM   1138 N NH1 . ARG A 1 164 ? 20.89831 -10.93458 16.38863 1.000 34.61977 ? 161 ARG A NH1 1 
ATOM   1139 N NH2 . ARG A 1 164 ? 21.32965 -9.92675  18.40316 1.000 33.00896 ? 161 ARG A NH2 1 
ATOM   1140 N N   . THR A 1 165 ? 24.46591 -16.04989 20.46360 1.000 23.57605 ? 162 THR A N   1 
ATOM   1141 C CA  . THR A 1 165 ? 23.91217 -16.24417 21.79546 1.000 25.43061 ? 162 THR A CA  1 
ATOM   1142 C C   . THR A 1 165 ? 23.29227 -14.98800 22.38672 1.000 25.85173 ? 162 THR A C   1 
ATOM   1143 O O   . THR A 1 165 ? 22.43382 -15.09960 23.26514 1.000 29.05229 ? 162 THR A O   1 
ATOM   1144 C CB  . THR A 1 165 ? 24.99615 -16.76531 22.74795 1.000 26.68178 ? 162 THR A CB  1 
ATOM   1145 O OG1 . THR A 1 165 ? 26.09306 -15.85058 22.76079 1.000 25.25785 ? 162 THR A OG1 1 
ATOM   1146 C CG2 . THR A 1 165 ? 25.49441 -18.13105 22.28666 1.000 25.81730 ? 162 THR A CG2 1 
ATOM   1147 N N   A GLU A 1 166 ? 23.68941 -13.80610 21.92134 0.475 26.58964 ? 163 GLU A N   1 
ATOM   1148 N N   B GLU A 1 166 ? 23.71819 -13.80536 21.95565 0.525 26.56811 ? 163 GLU A N   1 
ATOM   1149 C CA  A GLU A 1 166 ? 23.06309 -12.55528 22.34117 0.475 27.13058 ? 163 GLU A CA  1 
ATOM   1150 C CA  B GLU A 1 166 ? 23.13273 -12.55583 22.43050 0.525 29.50736 ? 163 GLU A CA  1 
ATOM   1151 C C   A GLU A 1 166 ? 22.76358 -11.66636 21.13658 0.475 29.07642 ? 163 GLU A C   1 
ATOM   1152 C C   B GLU A 1 166 ? 23.13345 -11.52333 21.31127 0.525 28.97220 ? 163 GLU A C   1 
ATOM   1153 O O   A GLU A 1 166 ? 22.20676 -10.57848 21.27967 0.475 24.71236 ? 163 GLU A O   1 
ATOM   1154 O O   B GLU A 1 166 ? 23.82750 -11.69299 20.31084 0.525 23.76902 ? 163 GLU A O   1 
ATOM   1155 C CB  A GLU A 1 166 ? 23.95225 -11.79936 23.33049 0.475 29.53198 ? 163 GLU A CB  1 
ATOM   1156 C CB  B GLU A 1 166 ? 23.89375 -12.00807 23.64095 0.525 29.44477 ? 163 GLU A CB  1 
ATOM   1157 C CG  A GLU A 1 166 ? 24.18559 -12.51083 24.65791 0.475 29.79288 ? 163 GLU A CG  1 
ATOM   1158 C CG  B GLU A 1 166 ? 23.85670 -12.87261 24.88880 0.525 30.42230 ? 163 GLU A CG  1 
ATOM   1159 C CD  A GLU A 1 166 ? 25.11797 -11.74289 25.57998 0.475 31.08806 ? 163 GLU A CD  1 
ATOM   1160 C CD  B GLU A 1 166 ? 24.64672 -12.27146 26.02992 0.525 31.48479 ? 163 GLU A CD  1 
ATOM   1161 O OE1 A GLU A 1 166 ? 25.57545 -10.64330 25.19409 0.475 29.79278 ? 163 GLU A OE1 1 
ATOM   1162 O OE1 B GLU A 1 166 ? 24.64502 -11.02512 26.15835 0.525 32.68697 ? 163 GLU A OE1 1 
ATOM   1163 O OE2 A GLU A 1 166 ? 25.39699 -12.23709 26.69873 0.475 33.11480 ? 163 GLU A OE2 1 
ATOM   1164 O OE2 B GLU A 1 166 ? 25.27177 -13.04097 26.79908 0.525 31.68641 ? 163 GLU A OE2 1 
HETATM 1165 C C   . ACE B 2 1   ? 39.79406 -18.25470 16.53507 1.000 42.00194 ? 1   ACE B C   1 
HETATM 1166 O O   . ACE B 2 1   ? 39.12369 -18.13019 15.56193 1.000 37.20051 ? 1   ACE B O   1 
HETATM 1167 C CH3 . ACE B 2 1   ? 40.31539 -19.60907 16.92380 1.000 38.59470 ? 1   ACE B CH3 1 
HETATM 1168 N N   . MTY B 2 2   ? 40.08653 -17.17659 17.47322 1.000 36.52645 ? 2   MTY B N   1 
HETATM 1169 C CA  . MTY B 2 2   ? 39.58681 -15.85445 17.23875 1.000 43.58194 ? 2   MTY B CA  1 
HETATM 1170 C CB  . MTY B 2 2   ? 40.11080 -14.87284 18.28387 1.000 43.95989 ? 2   MTY B CB  1 
HETATM 1171 C CG  . MTY B 2 2   ? 39.42449 -15.09965 19.65764 1.000 45.34549 ? 2   MTY B CG  1 
HETATM 1172 C CD1 . MTY B 2 2   ? 38.42437 -14.23280 20.08637 1.000 42.77495 ? 2   MTY B CD1 1 
HETATM 1173 C CE1 . MTY B 2 2   ? 37.80847 -14.42703 21.32327 1.000 44.13278 ? 2   MTY B CE1 1 
HETATM 1174 C CD2 . MTY B 2 2   ? 39.79799 -16.17637 20.46876 1.000 44.69487 ? 2   MTY B CD2 1 
HETATM 1175 C CE2 . MTY B 2 2   ? 39.18178 -16.37109 21.70354 1.000 42.30428 ? 2   MTY B CE2 1 
HETATM 1176 C CZ  . MTY B 2 2   ? 38.18577 -15.49632 22.13251 1.000 41.45893 ? 2   MTY B CZ  1 
HETATM 1177 O OH  . MTY B 2 2   ? 39.56221 -17.44769 22.52203 1.000 44.46982 ? 2   MTY B OH  1 
HETATM 1178 C C   . MTY B 2 2   ? 39.92029 -15.45583 15.78676 1.000 37.15733 ? 2   MTY B C   1 
HETATM 1179 O O   . MTY B 2 2   ? 41.00318 -15.52496 15.32869 1.000 40.76209 ? 2   MTY B O   1 
HETATM 1180 C C   . YCP B 2 3   ? 38.92748 -13.12701 13.54335 1.000 37.29341 ? 3   YCP B C   1 
HETATM 1181 N N   . YCP B 2 3   ? 38.78824 -15.03749 14.97426 1.000 40.49416 ? 3   YCP B N   1 
HETATM 1182 O O   . YCP B 2 3   ? 38.13501 -12.52295 12.90728 1.000 37.80438 ? 3   YCP B O   1 
HETATM 1183 C CA  . YCP B 2 3   ? 38.93639 -14.64314 13.54542 1.000 36.19575 ? 3   YCP B CA  1 
HETATM 1184 C CB  . YCP B 2 3   ? 37.86492 -15.19341 12.62048 1.000 38.47864 ? 3   YCP B CB  1 
HETATM 1185 C CD  . YCP B 2 3   ? 36.40647 -15.60754 14.55491 1.000 31.45343 ? 3   YCP B CD  1 
HETATM 1186 C CE  . YCP B 2 3   ? 37.38984 -14.94747 15.49803 1.000 40.07387 ? 3   YCP B CE  1 
HETATM 1187 C CG  . YCP B 2 3   ? 36.50883 -15.05120 13.19056 1.000 35.99176 ? 3   YCP B CG  1 
ATOM   1188 N N   . TRP B 2 4   ? 39.93141 -12.45064 14.39387 1.000 39.15749 ? 4   TRP B N   1 
ATOM   1189 C CA  . TRP B 2 4   ? 39.99674 -10.99556 14.43751 1.000 42.55339 ? 4   TRP B CA  1 
ATOM   1190 C C   . TRP B 2 4   ? 40.41076 -10.54590 13.05380 1.000 38.09147 ? 4   TRP B C   1 
ATOM   1191 O O   . TRP B 2 4   ? 40.03861 -9.50040  12.63413 1.000 40.36927 ? 4   TRP B O   1 
ATOM   1192 C CB  . TRP B 2 4   ? 41.05034 -10.52928 15.46443 1.000 41.99818 ? 4   TRP B CB  1 
ATOM   1193 C CG  . TRP B 2 4   ? 40.68458 -10.88400 16.92348 1.000 45.58440 ? 4   TRP B CG  1 
ATOM   1194 C CD1 . TRP B 2 4   ? 41.44001 -11.67532 17.77354 1.000 48.24671 ? 4   TRP B CD1 1 
ATOM   1195 C CD2 . TRP B 2 4   ? 39.52783 -10.46803 17.63990 1.000 47.25773 ? 4   TRP B CD2 1 
ATOM   1196 N NE1 . TRP B 2 4   ? 40.79731 -11.75352 18.94876 1.000 51.17730 ? 4   TRP B NE1 1 
ATOM   1197 C CE2 . TRP B 2 4   ? 39.63741 -11.03052 18.88696 1.000 48.22997 ? 4   TRP B CE2 1 
ATOM   1198 C CE3 . TRP B 2 4   ? 38.39682 -9.65931  17.33057 1.000 45.21041 ? 4   TRP B CE3 1 
ATOM   1199 C CZ2 . TRP B 2 4   ? 38.62379 -10.80507 19.87285 1.000 49.55483 ? 4   TRP B CZ2 1 
ATOM   1200 C CZ3 . TRP B 2 4   ? 37.40565 -9.44113  18.29404 1.000 46.36142 ? 4   TRP B CZ3 1 
ATOM   1201 C CH2 . TRP B 2 4   ? 37.51943 -10.01859 19.56667 1.000 49.67365 ? 4   TRP B CH2 1 
HETATM 1202 N N   . NH2 B 2 5   ? 41.25534 -11.41072 12.24833 1.000 42.15205 ? 5   NH2 B N   1 
HETATM 1203 O O22 . P33 C 3 .   ? 20.45704 -27.60059 1.46096  1.000 42.88086 ? 201 P33 A O22 1 
HETATM 1204 C C21 . P33 C 3 .   ? 19.32687 -28.23455 0.89258  1.000 41.95270 ? 201 P33 A C21 1 
HETATM 1205 C C20 . P33 C 3 .   ? 18.90145 -29.26150 1.98180  1.000 45.24358 ? 201 P33 A C20 1 
HETATM 1206 O O19 . P33 C 3 .   ? 17.48218 -29.19960 2.12177  1.000 40.70694 ? 201 P33 A O19 1 
HETATM 1207 C C18 . P33 C 3 .   ? 17.03731 -27.98575 2.62589  1.000 35.48680 ? 201 P33 A C18 1 
HETATM 1208 C C17 . P33 C 3 .   ? 15.82252 -28.28043 3.53680  1.000 30.01525 ? 201 P33 A C17 1 
HETATM 1209 O O16 . P33 C 3 .   ? 16.35796 -28.82261 4.71608  1.000 25.97285 ? 201 P33 A O16 1 
HETATM 1210 C C15 . P33 C 3 .   ? 15.92046 -28.13611 5.87314  1.000 24.66870 ? 201 P33 A C15 1 
HETATM 1211 C C14 . P33 C 3 .   ? 16.31648 -29.04008 7.05730  1.000 26.69180 ? 201 P33 A C14 1 
HETATM 1212 O O13 . P33 C 3 .   ? 17.71992 -29.12994 7.02129  1.000 25.86058 ? 201 P33 A O13 1 
HETATM 1213 C C12 . P33 C 3 .   ? 18.15729 -30.41192 7.37622  1.000 29.46330 ? 201 P33 A C12 1 
HETATM 1214 C C11 . P33 C 3 .   ? 19.28853 -30.31290 8.36775  1.000 26.74711 ? 201 P33 A C11 1 
HETATM 1215 O O10 . P33 C 3 .   ? 20.47423 -30.06670 7.65279  1.000 32.92902 ? 201 P33 A O10 1 
HETATM 1216 C C9  . P33 C 3 .   ? 20.63778 -28.72294 7.51075  1.000 16.23380 ? 201 P33 A C9  1 
HETATM 1217 C C8  . P33 C 3 .   ? 22.10998 -28.20823 7.26410  1.000 23.61558 ? 201 P33 A C8  1 
HETATM 1218 O O7  . P33 C 3 .   ? 22.08257 -27.00466 8.07134  1.000 23.61322 ? 201 P33 A O7  1 
HETATM 1219 C C6  . P33 C 3 .   ? 23.01027 -25.98884 7.84335  1.000 24.42793 ? 201 P33 A C6  1 
HETATM 1220 C C5  . P33 C 3 .   ? 22.93207 -25.17317 9.12862  1.000 25.76368 ? 201 P33 A C5  1 
HETATM 1221 O O4  . P33 C 3 .   ? 22.03509 -24.19878 8.77787  1.000 31.70688 ? 201 P33 A O4  1 
HETATM 1222 C C3  . P33 C 3 .   ? 20.88566 -24.15584 9.47525  1.000 20.80865 ? 201 P33 A C3  1 
HETATM 1223 C C2  . P33 C 3 .   ? 21.26632 -23.74956 10.92479 1.000 26.84847 ? 201 P33 A C2  1 
HETATM 1224 O O1  . P33 C 3 .   ? 20.20161 -22.99453 11.38664 1.000 29.08931 ? 201 P33 A O1  1 
HETATM 1225 S S1  . DTT D 4 .   ? 38.91756 -34.75274 13.61865 1.000 54.67106 ? 202 DTT A S1  1 
HETATM 1226 C C1  . DTT D 4 .   ? 39.16421 -35.46068 11.95707 1.000 54.27512 ? 202 DTT A C1  1 
HETATM 1227 C C2  . DTT D 4 .   ? 40.56031 -35.30897 11.34798 1.000 51.53706 ? 202 DTT A C2  1 
HETATM 1228 O O2  . DTT D 4 .   ? 40.47843 -34.97019 9.98082  1.000 43.13783 ? 202 DTT A O2  1 
HETATM 1229 C C3  . DTT D 4 .   ? 41.33205 -36.61303 11.44467 1.000 61.57213 ? 202 DTT A C3  1 
HETATM 1230 O O3  . DTT D 4 .   ? 40.40230 -37.67272 11.42231 1.000 69.39064 ? 202 DTT A O3  1 
HETATM 1231 C C4  . DTT D 4 .   ? 42.29978 -36.77625 10.27478 1.000 65.40648 ? 202 DTT A C4  1 
HETATM 1232 S S4  . DTT D 4 .   ? 43.72999 -35.66097 10.28960 1.000 71.67195 ? 202 DTT A S4  1 
HETATM 1233 S S   . SO4 E 5 .   ? 44.52178 -18.72768 11.48325 1.000 67.07604 ? 203 SO4 A S   1 
HETATM 1234 O O1  . SO4 E 5 .   ? 44.40336 -19.89642 10.60696 1.000 49.11675 ? 203 SO4 A O1  1 
HETATM 1235 O O2  . SO4 E 5 .   ? 43.44177 -17.78499 11.20972 1.000 62.80345 ? 203 SO4 A O2  1 
HETATM 1236 O O3  . SO4 E 5 .   ? 44.45510 -19.14658 12.88254 1.000 57.72401 ? 203 SO4 A O3  1 
HETATM 1237 O O4  . SO4 E 5 .   ? 45.79008 -18.04374 11.24199 1.000 63.23366 ? 203 SO4 A O4  1 
HETATM 1238 S S   . SO4 F 5 .   ? 43.88590 -18.71776 18.53642 1.000 93.50304 ? 204 SO4 A S   1 
HETATM 1239 O O1  . SO4 F 5 .   ? 43.66452 -17.76688 19.62322 1.000 81.00846 ? 204 SO4 A O1  1 
HETATM 1240 O O2  . SO4 F 5 .   ? 43.33010 -18.16958 17.30150 1.000 79.83221 ? 204 SO4 A O2  1 
HETATM 1241 O O3  . SO4 F 5 .   ? 45.31819 -18.94617 18.36670 1.000 91.82715 ? 204 SO4 A O3  1 
HETATM 1242 O O4  . SO4 F 5 .   ? 43.23750 -19.98806 18.85074 1.000 71.07880 ? 204 SO4 A O4  1 
HETATM 1243 S S   . SO4 G 5 .   ? 17.20277 -10.51587 17.40364 1.000 81.19759 ? 205 SO4 A S   1 
HETATM 1244 O O1  . SO4 G 5 .   ? 18.08956 -9.90126  16.41637 1.000 64.41105 ? 205 SO4 A O1  1 
HETATM 1245 O O2  . SO4 G 5 .   ? 17.55718 -10.03464 18.73590 1.000 73.55003 ? 205 SO4 A O2  1 
HETATM 1246 O O3  . SO4 G 5 .   ? 15.81993 -10.15059 17.10946 1.000 90.99703 ? 205 SO4 A O3  1 
HETATM 1247 O O4  . SO4 G 5 .   ? 17.33045 -11.96984 17.36272 1.000 64.74899 ? 205 SO4 A O4  1 
HETATM 1248 O O   . HOH H 6 .   ? 47.21788 -21.98641 16.46618 1.000 55.98244 ? 301 HOH A O   1 
HETATM 1249 O O   . HOH H 6 .   ? 33.27169 -7.56348  13.18621 1.000 33.68217 ? 302 HOH A O   1 
HETATM 1250 O O   . HOH H 6 .   ? 18.00730 -20.97037 10.24806 1.000 31.35249 ? 303 HOH A O   1 
HETATM 1251 O O   . HOH H 6 .   ? 36.00641 -36.71979 4.65836  1.000 41.26760 ? 304 HOH A O   1 
HETATM 1252 O O   . HOH H 6 .   ? 25.34698 -3.34881  13.63729 1.000 44.98967 ? 305 HOH A O   1 
HETATM 1253 O O   . HOH H 6 .   ? 47.97805 -35.32751 10.07509 1.000 47.19867 ? 306 HOH A O   1 
HETATM 1254 O O   . HOH H 6 .   ? 23.20177 -7.98028  21.12771 1.000 34.63951 ? 307 HOH A O   1 
HETATM 1255 O O   . HOH H 6 .   ? 31.86325 -6.19939  24.90909 1.000 64.46378 ? 308 HOH A O   1 
HETATM 1256 O O   . HOH H 6 .   ? 43.88840 -35.49349 4.34618  1.000 47.04887 ? 309 HOH A O   1 
HETATM 1257 O O   . HOH H 6 .   ? 20.52185 -17.53344 9.16907  1.000 26.95090 ? 310 HOH A O   1 
HETATM 1258 O O   . HOH H 6 .   ? 33.51561 -16.71248 28.06470 1.000 39.36921 ? 311 HOH A O   1 
HETATM 1259 O O   . HOH H 6 .   ? 45.67229 -31.63629 21.91414 1.000 38.64114 ? 312 HOH A O   1 
HETATM 1260 O O   . HOH H 6 .   ? 25.93587 -28.54820 6.43195  1.000 29.20461 ? 313 HOH A O   1 
HETATM 1261 O O   . HOH H 6 .   ? 35.78725 -22.60224 19.38306 1.000 25.07760 ? 314 HOH A O   1 
HETATM 1262 O O   . HOH H 6 .   ? 15.88120 -19.99456 -4.77560 1.000 46.61823 ? 315 HOH A O   1 
HETATM 1263 O O   . HOH H 6 .   ? 36.07230 -35.36633 1.57823  1.000 61.34740 ? 316 HOH A O   1 
HETATM 1264 O O   . HOH H 6 .   ? 20.22143 -22.69456 16.97823 1.000 32.13434 ? 317 HOH A O   1 
HETATM 1265 O O   . HOH H 6 .   ? 8.15434  -28.24803 5.29721  1.000 33.67439 ? 318 HOH A O   1 
HETATM 1266 O O   . HOH H 6 .   ? 33.54712 -31.71455 1.38777  1.000 33.66550 ? 319 HOH A O   1 
HETATM 1267 O O   . HOH H 6 .   ? 29.58925 -21.20096 24.06139 1.000 25.22773 ? 320 HOH A O   1 
HETATM 1268 O O   . HOH H 6 .   ? 35.41423 -6.37228  10.29192 1.000 37.31690 ? 321 HOH A O   1 
HETATM 1269 O O   . HOH H 6 .   ? 38.45524 -14.26156 6.13163  1.000 33.29648 ? 322 HOH A O   1 
HETATM 1270 O O   . HOH H 6 .   ? 41.34243 -21.73805 1.02911  1.000 53.53743 ? 323 HOH A O   1 
HETATM 1271 O O   . HOH H 6 .   ? 49.78753 -26.32813 4.97198  1.000 43.87134 ? 324 HOH A O   1 
HETATM 1272 O O   . HOH H 6 .   ? 37.25438 -32.15804 13.67932 1.000 27.00344 ? 325 HOH A O   1 
HETATM 1273 O O   . HOH H 6 .   ? 48.38393 -22.83261 4.90748  1.000 39.18392 ? 326 HOH A O   1 
HETATM 1274 O O   . HOH H 6 .   ? 49.43962 -34.09680 11.69446 1.000 42.94889 ? 327 HOH A O   1 
HETATM 1275 O O   . HOH H 6 .   ? 39.56409 -6.45761  15.53687 1.000 48.74918 ? 328 HOH A O   1 
HETATM 1276 O O   . HOH H 6 .   ? 44.04606 -24.37387 24.35656 1.000 48.48511 ? 329 HOH A O   1 
HETATM 1277 O O   . HOH H 6 .   ? 39.80815 -34.41123 0.08443  1.000 37.65226 ? 330 HOH A O   1 
HETATM 1278 O O   . HOH H 6 .   ? 27.91740 -2.88822  14.79604 1.000 40.38005 ? 331 HOH A O   1 
HETATM 1279 O O   . HOH H 6 .   ? 19.02430 -15.26980 10.19150 1.000 23.47907 ? 332 HOH A O   1 
HETATM 1280 O O   . HOH H 6 .   ? 34.65770 -10.41235 22.40563 1.000 36.41205 ? 333 HOH A O   1 
HETATM 1281 O O   . HOH H 6 .   ? 28.41883 -17.07923 23.32012 1.000 25.44907 ? 334 HOH A O   1 
HETATM 1282 O O   . HOH H 6 .   ? 43.53084 -19.46747 4.22001  1.000 38.31054 ? 335 HOH A O   1 
HETATM 1283 O O   . HOH H 6 .   ? 19.14578 -28.13278 4.96873  1.000 28.46226 ? 336 HOH A O   1 
HETATM 1284 O O   . HOH H 6 .   ? 38.30012 -27.85297 25.61126 1.000 27.74644 ? 337 HOH A O   1 
HETATM 1285 O O   . HOH H 6 .   ? 15.02285 -24.39595 -5.70173 1.000 51.02279 ? 338 HOH A O   1 
HETATM 1286 O O   . HOH H 6 .   ? 38.77488 -30.07800 14.38644 1.000 25.51046 ? 339 HOH A O   1 
HETATM 1287 O O   . HOH H 6 .   ? 16.55046 -13.71540 9.71205  1.000 39.41081 ? 340 HOH A O   1 
HETATM 1288 O O   . HOH H 6 .   ? 41.18342 -33.08270 20.45250 1.000 47.43841 ? 341 HOH A O   1 
HETATM 1289 O O   . HOH H 6 .   ? 12.32272 -38.58616 -2.63693 1.000 44.93663 ? 342 HOH A O   1 
HETATM 1290 O O   . HOH H 6 .   ? 41.18645 -35.87988 7.02174  1.000 44.47614 ? 343 HOH A O   1 
HETATM 1291 O O   . HOH H 6 .   ? 18.94241 -11.70266 8.99333  1.000 36.94026 ? 344 HOH A O   1 
HETATM 1292 O O   . HOH H 6 .   ? 34.73422 -23.39445 30.07374 1.000 24.53549 ? 345 HOH A O   1 
HETATM 1293 O O   . HOH H 6 .   ? 22.72600 -24.89712 4.33013  1.000 31.27953 ? 346 HOH A O   1 
HETATM 1294 O O   . HOH H 6 .   ? 21.45352 -29.36440 19.72964 1.000 26.00370 ? 347 HOH A O   1 
HETATM 1295 O O   . HOH H 6 .   ? 42.99217 -28.09102 1.75946  1.000 41.31872 ? 348 HOH A O   1 
HETATM 1296 O O   . HOH H 6 .   ? 20.13297 -10.45423 12.74247 1.000 33.63154 ? 349 HOH A O   1 
HETATM 1297 O O   . HOH H 6 .   ? 35.14014 -35.55742 15.37293 1.000 30.09333 ? 350 HOH A O   1 
HETATM 1298 O O   . HOH H 6 .   ? 12.91483 -16.09239 -2.14151 1.000 46.12902 ? 351 HOH A O   1 
HETATM 1299 O O   . HOH H 6 .   ? 36.65336 -35.84174 22.62679 1.000 30.99721 ? 352 HOH A O   1 
HETATM 1300 O O   . HOH H 6 .   ? 48.08414 -32.73910 4.02196  1.000 44.74898 ? 353 HOH A O   1 
HETATM 1301 O O   . HOH H 6 .   ? 8.51287  -25.75345 4.15009  1.000 34.51594 ? 354 HOH A O   1 
HETATM 1302 O O   . HOH H 6 .   ? 44.25585 -23.86157 19.05455 1.000 33.62159 ? 355 HOH A O   1 
HETATM 1303 O O   . HOH H 6 .   ? 35.74081 -16.38249 25.55110 1.000 36.86837 ? 356 HOH A O   1 
HETATM 1304 O O   . HOH H 6 .   ? 42.54917 -30.94258 14.37992 1.000 28.89601 ? 357 HOH A O   1 
HETATM 1305 O O   . HOH H 6 .   ? 17.10540 -28.93665 14.41381 1.000 25.13986 ? 358 HOH A O   1 
HETATM 1306 O O   . HOH H 6 .   ? 25.12798 -9.20623  7.84506  1.000 30.15112 ? 359 HOH A O   1 
HETATM 1307 O O   . HOH H 6 .   ? 29.06094 -14.45796 5.49902  1.000 27.63992 ? 360 HOH A O   1 
HETATM 1308 O O   . HOH H 6 .   ? 37.18426 -29.26184 -4.25138 1.000 49.55419 ? 361 HOH A O   1 
HETATM 1309 O O   . HOH H 6 .   ? 26.60591 -33.09274 23.47004 1.000 47.40522 ? 362 HOH A O   1 
HETATM 1310 O O   . HOH H 6 .   ? 14.20286 -26.88238 9.49410  1.000 28.21552 ? 363 HOH A O   1 
HETATM 1311 O O   . HOH H 6 .   ? 29.55193 -35.06266 6.55611  1.000 35.14103 ? 364 HOH A O   1 
HETATM 1312 O O   . HOH H 6 .   ? 19.62211 -16.57541 0.16148  1.000 33.77350 ? 365 HOH A O   1 
HETATM 1313 O O   . HOH H 6 .   ? 12.66341 -30.17649 -6.48605 1.000 46.09045 ? 366 HOH A O   1 
HETATM 1314 O O   . HOH H 6 .   ? 44.39259 -32.48545 10.01395 1.000 35.96428 ? 367 HOH A O   1 
HETATM 1315 O O   . HOH H 6 .   ? 36.26798 -35.50997 6.82989  1.000 33.42468 ? 368 HOH A O   1 
HETATM 1316 O O   . HOH H 6 .   ? 22.04211 -8.13335  9.55015  1.000 44.02762 ? 369 HOH A O   1 
HETATM 1317 O O   . HOH H 6 .   ? 38.34987 -21.98985 4.68445  1.000 32.29329 ? 370 HOH A O   1 
HETATM 1318 O O   . HOH H 6 .   ? 49.76165 -28.82658 6.71925  1.000 40.58793 ? 371 HOH A O   1 
HETATM 1319 O O   . HOH H 6 .   ? 23.61586 -37.20031 12.75131 1.000 41.15913 ? 372 HOH A O   1 
HETATM 1320 O O   . HOH H 6 .   ? 16.87735 -27.00923 10.42649 1.000 26.60276 ? 373 HOH A O   1 
HETATM 1321 O O   . HOH H 6 .   ? 17.46019 -31.45768 4.42444  1.000 37.46054 ? 374 HOH A O   1 
HETATM 1322 O O   . HOH H 6 .   ? 57.07056 -28.02158 18.85939 1.000 51.68342 ? 375 HOH A O   1 
HETATM 1323 O O   . HOH H 6 .   ? 39.83203 -25.29973 -2.19540 1.000 45.70282 ? 376 HOH A O   1 
HETATM 1324 O O   . HOH H 6 .   ? 43.78144 -20.60307 0.27140  1.000 42.54826 ? 377 HOH A O   1 
HETATM 1325 O O   . HOH H 6 .   ? 39.08346 -36.17997 16.19334 1.000 46.41982 ? 378 HOH A O   1 
HETATM 1326 O O   . HOH H 6 .   ? 27.50043 -21.59592 25.43124 1.000 32.60027 ? 379 HOH A O   1 
HETATM 1327 O O   . HOH H 6 .   ? 17.78928 -35.81140 20.19161 1.000 36.63790 ? 380 HOH A O   1 
HETATM 1328 O O   . HOH H 6 .   ? 50.96516 -32.83705 13.95802 1.000 39.81533 ? 381 HOH A O   1 
HETATM 1329 O O   . HOH H 6 .   ? 44.80651 -35.72512 7.03692  1.000 47.17548 ? 382 HOH A O   1 
HETATM 1330 O O   . HOH H 6 .   ? 51.17131 -19.63972 9.72678  1.000 47.50084 ? 383 HOH A O   1 
HETATM 1331 O O   . HOH H 6 .   ? 39.77435 -35.71210 19.99846 1.000 39.98893 ? 384 HOH A O   1 
HETATM 1332 O O   . HOH H 6 .   ? 41.00184 -27.11659 24.75403 1.000 30.51050 ? 385 HOH A O   1 
HETATM 1333 O O   . HOH H 6 .   ? 19.04563 -21.71256 13.78907 1.000 37.20346 ? 386 HOH A O   1 
HETATM 1334 O O   . HOH H 6 .   ? 38.56357 -36.34744 8.19359  1.000 47.16109 ? 387 HOH A O   1 
HETATM 1335 O O   . HOH H 6 .   ? 35.78539 -26.50329 27.29292 1.000 28.39475 ? 388 HOH A O   1 
HETATM 1336 O O   . HOH H 6 .   ? 20.38990 -16.42154 -4.32184 1.000 38.52180 ? 389 HOH A O   1 
HETATM 1337 O O   . HOH H 6 .   ? 38.56431 -5.69993  17.84964 1.000 55.19036 ? 390 HOH A O   1 
HETATM 1338 O O   . HOH H 6 .   ? 23.08058 -27.18291 20.32395 1.000 29.20632 ? 391 HOH A O   1 
HETATM 1339 O O   . HOH H 6 .   ? 28.17805 -17.85415 28.42584 1.000 40.44852 ? 392 HOH A O   1 
HETATM 1340 O O   . HOH H 6 .   ? 33.60425 -25.88352 29.79838 1.000 33.14526 ? 393 HOH A O   1 
HETATM 1341 O O   . HOH H 6 .   ? 6.20100  -13.31160 10.88348 1.000 61.61380 ? 394 HOH A O   1 
HETATM 1342 O O   . HOH H 6 .   ? 43.33956 -34.32804 17.91313 1.000 36.80941 ? 395 HOH A O   1 
HETATM 1343 O O   . HOH H 6 .   ? 51.63253 -26.10156 10.76187 1.000 42.26926 ? 396 HOH A O   1 
HETATM 1344 O O   . HOH H 6 .   ? 27.90708 -36.81529 12.31660 1.000 51.10266 ? 397 HOH A O   1 
HETATM 1345 O O   . HOH H 6 .   ? 29.89823 -6.33552  25.96362 1.000 47.45886 ? 398 HOH A O   1 
HETATM 1346 O O   . HOH H 6 .   ? 41.37598 -24.64334 23.44949 1.000 42.04067 ? 399 HOH A O   1 
HETATM 1347 O O   . HOH H 6 .   ? 30.89434 -33.15291 26.45328 1.000 40.97179 ? 400 HOH A O   1 
HETATM 1348 O O   . HOH H 6 .   ? 6.11568  -26.82852 0.06478  1.000 48.11467 ? 401 HOH A O   1 
HETATM 1349 O O   . HOH H 6 .   ? 8.58437  -29.31497 -6.48318 1.000 64.20339 ? 402 HOH A O   1 
HETATM 1350 O O   . HOH H 6 .   ? 28.08180 -37.40348 9.23475  1.000 51.71219 ? 403 HOH A O   1 
HETATM 1351 O O   . HOH H 6 .   ? 7.60773  -20.83805 10.87546 1.000 46.23415 ? 404 HOH A O   1 
HETATM 1352 O O   . HOH H 6 .   ? 17.86540 -28.32108 -2.89824 1.000 47.19439 ? 405 HOH A O   1 
HETATM 1353 O O   . HOH H 6 .   ? 29.79423 -35.49367 13.75535 1.000 31.36678 ? 406 HOH A O   1 
HETATM 1354 O O   . HOH H 6 .   ? 6.42910  -21.80592 5.28664  1.000 63.22614 ? 407 HOH A O   1 
HETATM 1355 O O   . HOH H 6 .   ? 48.28729 -35.52834 14.06546 1.000 50.71870 ? 408 HOH A O   1 
HETATM 1356 O O   . HOH H 6 .   ? 13.68178 -20.33063 12.72776 1.000 44.56509 ? 409 HOH A O   1 
HETATM 1357 O O   . HOH H 6 .   ? 14.76391 -37.82182 -4.71567 1.000 50.03013 ? 410 HOH A O   1 
HETATM 1358 O O   . HOH H 6 .   ? 35.63843 -27.37215 -0.41858 1.000 38.17733 ? 411 HOH A O   1 
HETATM 1359 O O   . HOH H 6 .   ? 19.41870 -40.82224 14.94559 1.000 42.99315 ? 412 HOH A O   1 
HETATM 1360 O O   . HOH H 6 .   ? 21.03386 -18.16459 23.37905 1.000 41.67918 ? 413 HOH A O   1 
HETATM 1361 O O   . HOH H 6 .   ? 7.13720  -35.90355 -1.95228 1.000 54.71095 ? 414 HOH A O   1 
HETATM 1362 O O   . HOH H 6 .   ? 41.22800 -21.10727 3.55265  1.000 47.50551 ? 415 HOH A O   1 
HETATM 1363 O O   . HOH H 6 .   ? 23.44715 -29.88807 -8.22752 1.000 52.59977 ? 416 HOH A O   1 
HETATM 1364 O O   . HOH H 6 .   ? 18.64225 -30.28239 -1.81467 1.000 46.37467 ? 417 HOH A O   1 
HETATM 1365 O O   . HOH H 6 .   ? 32.28240 -15.58911 29.53981 1.000 45.03125 ? 418 HOH A O   1 
HETATM 1366 O O   . HOH H 6 .   ? 45.08164 -28.66916 25.45370 1.000 46.64232 ? 419 HOH A O   1 
HETATM 1367 O O   . HOH H 6 .   ? 6.05663  -21.04498 8.64190  1.000 51.21487 ? 420 HOH A O   1 
HETATM 1368 O O   . HOH H 6 .   ? 42.74740 -33.28831 15.36872 1.000 33.00636 ? 421 HOH A O   1 
HETATM 1369 O O   . HOH H 6 .   ? 32.49024 -1.16756  22.01898 1.000 49.87448 ? 422 HOH A O   1 
HETATM 1370 O O   . HOH H 6 .   ? 37.92712 -17.33470 3.12286  1.000 37.32201 ? 423 HOH A O   1 
HETATM 1371 O O   . HOH H 6 .   ? 12.66227 -27.14664 14.12190 1.000 43.38869 ? 424 HOH A O   1 
HETATM 1372 O O   . HOH H 6 .   ? 31.93812 -36.22485 9.90869  1.000 30.92958 ? 425 HOH A O   1 
HETATM 1373 O O   . HOH H 6 .   ? 27.26391 -17.82659 25.68959 1.000 31.02829 ? 426 HOH A O   1 
HETATM 1374 O O   . HOH H 6 .   ? 51.41399 -23.09040 11.06679 1.000 44.53599 ? 427 HOH A O   1 
HETATM 1375 O O   . HOH H 6 .   ? 25.64748 -8.79732  5.04571  1.000 34.05123 ? 428 HOH A O   1 
HETATM 1376 O O   . HOH H 6 .   ? 21.04298 -9.47310  1.49824  1.000 50.72916 ? 429 HOH A O   1 
HETATM 1377 O O   . HOH H 6 .   ? 33.39912 -36.15003 13.39754 1.000 31.59693 ? 430 HOH A O   1 
HETATM 1378 O O   . HOH H 6 .   ? 13.97799 -29.46546 10.88251 1.000 29.39779 ? 431 HOH A O   1 
HETATM 1379 O O   . HOH H 6 .   ? 18.14058 -17.72691 22.62065 1.000 41.90202 ? 432 HOH A O   1 
HETATM 1380 O O   . HOH H 6 .   ? 38.21024 -37.49650 18.48869 1.000 50.96744 ? 433 HOH A O   1 
HETATM 1381 O O   . HOH H 6 .   ? 17.74581 -21.76830 -5.67477 1.000 60.37943 ? 434 HOH A O   1 
HETATM 1382 O O   . HOH H 6 .   ? 34.13792 -36.75781 8.17894  1.000 37.37039 ? 435 HOH A O   1 
HETATM 1383 O O   . HOH H 6 .   ? 38.85264 -3.22974  18.37888 1.000 53.43811 ? 436 HOH A O   1 
HETATM 1384 O O   . HOH H 6 .   ? 22.36001 -8.92066  7.47826  1.000 37.04639 ? 437 HOH A O   1 
HETATM 1385 O O   . HOH H 6 .   ? 45.42704 -22.68881 22.49810 1.000 56.89322 ? 438 HOH A O   1 
HETATM 1386 O O   . HOH H 6 .   ? 37.01123 -6.07449  7.63623  1.000 48.45556 ? 439 HOH A O   1 
HETATM 1387 O O   . HOH H 6 .   ? 30.19327 -9.51721  0.48864  1.000 46.78142 ? 440 HOH A O   1 
HETATM 1388 O O   . HOH H 6 .   ? 51.94940 -34.85084 10.93468 1.000 59.65535 ? 441 HOH A O   1 
HETATM 1389 O O   . HOH H 6 .   ? 4.35209  -31.63321 0.59572  1.000 40.29292 ? 442 HOH A O   1 
HETATM 1390 O O   . HOH H 6 .   ? 22.04264 -24.94126 17.35377 1.000 29.63136 ? 443 HOH A O   1 
HETATM 1391 O O   . HOH H 6 .   ? 4.72608  -24.62715 0.99760  1.000 55.30642 ? 444 HOH A O   1 
HETATM 1392 O O   . HOH H 6 .   ? 14.88164 -5.86635  8.09229  1.000 51.20827 ? 445 HOH A O   1 
HETATM 1393 O O   . HOH H 6 .   ? 29.44819 -12.35872 0.23837  1.000 37.38471 ? 446 HOH A O   1 
HETATM 1394 O O   . HOH H 6 .   ? 27.26657 -20.22754 29.60098 1.000 41.57672 ? 447 HOH A O   1 
HETATM 1395 O O   . HOH I 6 .   ? 39.90036 -17.79085 13.49949 1.000 48.52388 ? 101 HOH B O   1 
HETATM 1396 O O   . HOH I 6 .   ? 39.41053 -7.56735  9.91511  1.000 44.21753 ? 102 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  ? 0.73439 0.70877 0.68421 0.11129  -0.04556 0.07987  7   LEU A N   
2    C CA  . LEU A 10  ? 0.72778 0.70224 0.67281 0.08791  -0.04194 0.07589  7   LEU A CA  
3    C C   . LEU A 10  ? 0.71756 0.65235 0.64126 0.07936  -0.03558 0.07371  7   LEU A C   
4    O O   . LEU A 10  ? 0.78271 0.68750 0.68528 0.07776  -0.03932 0.08098  7   LEU A O   
5    C CB  . LEU A 10  ? 0.73734 0.72180 0.67551 0.07908  -0.05110 0.08163  7   LEU A CB  
6    C CG  . LEU A 10  ? 0.68841 0.69402 0.63429 0.06030  -0.05001 0.07478  7   LEU A CG  
7    C CD1 . LEU A 10  ? 0.65294 0.68985 0.62778 0.05938  -0.04685 0.06796  7   LEU A CD1 
8    C CD2 . LEU A 10  ? 0.70390 0.72289 0.64251 0.05642  -0.06077 0.07871  7   LEU A CD2 
9    N N   . PRO A 11  ? 0.71699 0.65330 0.64685 0.07290  -0.02657 0.06470  8   PRO A N   
10   C CA  . PRO A 11  ? 0.70047 0.60160 0.61288 0.06637  -0.02135 0.06099  8   PRO A CA  
11   C C   . PRO A 11  ? 0.69802 0.58205 0.59370 0.04856  -0.02298 0.06574  8   PRO A C   
12   O O   . PRO A 11  ? 0.68208 0.58483 0.57947 0.04045  -0.02625 0.06930  8   PRO A O   
13   C CB  . PRO A 11  ? 0.69647 0.61481 0.62172 0.06082  -0.01260 0.05119  8   PRO A CB  
14   C CG  . PRO A 11  ? 0.70334 0.65898 0.65202 0.07130  -0.01219 0.05102  8   PRO A CG  
15   C CD  . PRO A 11  ? 0.68586 0.65713 0.63959 0.07158  -0.02144 0.05848  8   PRO A CD  
16   N N   . PRO A 12  ? 0.70577 0.55602 0.58518 0.04183  -0.02090 0.06551  9   PRO A N   
17   C CA  . PRO A 12  ? 0.69951 0.53534 0.56350 0.02523  -0.02207 0.07284  9   PRO A CA  
18   C C   . PRO A 12  ? 0.61067 0.47379 0.48176 0.00955  -0.01783 0.06868  9   PRO A C   
19   O O   . PRO A 12  ? 0.57618 0.44920 0.45680 0.00393  -0.01219 0.05928  9   PRO A O   
20   C CB  . PRO A 12  ? 0.68245 0.48054 0.53350 0.01982  -0.02044 0.07100  9   PRO A CB  
21   C CG  . PRO A 12  ? 0.71599 0.50014 0.56927 0.03917  -0.02135 0.06456  9   PRO A CG  
22   C CD  . PRO A 12  ? 0.66713 0.49118 0.54097 0.04918  -0.01808 0.05853  9   PRO A CD  
23   N N   . GLY A 13  ? 0.57929 0.45378 0.44399 0.00372  -0.02099 0.07570  10  GLY A N   
24   C CA  . GLY A 13  ? 0.53025 0.42733 0.39794 -0.00928 -0.01768 0.07131  10  GLY A CA  
25   C C   . GLY A 13  ? 0.48333 0.41213 0.36621 -0.00559 -0.02044 0.06483  10  GLY A C   
26   O O   . GLY A 13  ? 0.42433 0.36967 0.30802 -0.01436 -0.01923 0.06012  10  GLY A O   
27   N N   . TRP A 14  ? 0.53991 0.47814 0.43540 0.00711  -0.02461 0.06424  11  TRP A N   
28   C CA  . TRP A 14  ? 0.50169 0.47008 0.41550 0.00822  -0.02805 0.05822  11  TRP A CA  
29   C C   . TRP A 14  ? 0.49489 0.47701 0.40370 0.01184  -0.03777 0.06305  11  TRP A C   
30   O O   . TRP A 14  ? 0.54359 0.51583 0.44180 0.02100  -0.04276 0.07258  11  TRP A O   
31   C CB  . TRP A 14  ? 0.48704 0.46544 0.42071 0.01853  -0.02674 0.05564  11  TRP A CB  
32   C CG  . TRP A 14  ? 0.47272 0.44772 0.41385 0.01418  -0.01785 0.04887  11  TRP A CG  
33   C CD1 . TRP A 14  ? 0.45162 0.40686 0.38679 0.01941  -0.01229 0.04793  11  TRP A CD1 
34   C CD2 . TRP A 14  ? 0.41427 0.40498 0.36851 0.00442  -0.01469 0.04213  11  TRP A CD2 
35   N NE1 . TRP A 14  ? 0.46157 0.42227 0.40455 0.01350  -0.00563 0.04135  11  TRP A NE1 
36   C CE2 . TRP A 14  ? 0.39137 0.37333 0.34667 0.00439  -0.00684 0.03876  11  TRP A CE2 
37   C CE3 . TRP A 14  ? 0.35444 0.36363 0.31861 -0.00374 -0.01876 0.03826  11  TRP A CE3 
38   C CZ2 . TRP A 14  ? 0.38303 0.37508 0.34878 -0.00342 -0.00262 0.03385  11  TRP A CZ2 
39   C CZ3 . TRP A 14  ? 0.32960 0.34532 0.30497 -0.01148 -0.01480 0.03275  11  TRP A CZ3 
40   C CH2 . TRP A 14  ? 0.38824 0.39608 0.36442 -0.01122 -0.00664 0.03164  11  TRP A CH2 
41   N N   . GLU A 15  ? 0.42109 0.42450 0.33632 0.00518  -0.04151 0.05610  12  GLU A N   
42   C CA  . GLU A 15  ? 0.46495 0.48530 0.37660 0.00833  -0.05243 0.05769  12  GLU A CA  
43   C C   . GLU A 15  ? 0.44577 0.49118 0.38017 0.00523  -0.05826 0.04811  12  GLU A C   
44   O O   . GLU A 15  ? 0.38677 0.43443 0.33538 -0.00170 -0.05303 0.04070  12  GLU A O   
45   C CB  . GLU A 15  ? 0.50548 0.52323 0.39272 0.00172  -0.05317 0.05863  12  GLU A CB  
46   C CG  . GLU A 15  ? 0.51624 0.54273 0.40580 -0.00877 -0.04988 0.04589  12  GLU A CG  
47   C CD  . GLU A 15  ? 0.59929 0.62772 0.46430 -0.01324 -0.04888 0.04598  12  GLU A CD  
48   O OE1 . GLU A 15  ? 0.63721 0.67631 0.48918 -0.00913 -0.05751 0.04828  12  GLU A OE1 
49   O OE2 . GLU A 15  ? 0.58729 0.60947 0.44609 -0.02040 -0.03942 0.04390  12  GLU A OE2 
50   N N   . LYS A 16  ? 0.43772 0.50146 0.37544 0.00976  -0.07022 0.04912  13  LYS A N   
51   C CA  . LYS A 16  ? 0.44182 0.52942 0.40118 0.00494  -0.07887 0.04062  13  LYS A CA  
52   C C   . LYS A 16  ? 0.46986 0.56069 0.41517 -0.00306 -0.08539 0.03064  13  LYS A C   
53   O O   . LYS A 16  ? 0.48245 0.56903 0.40211 -0.00038 -0.08791 0.03339  13  LYS A O   
54   C CB  . LYS A 16  ? 0.46431 0.57358 0.43811 0.01456  -0.08982 0.04660  13  LYS A CB  
55   C CG  . LYS A 16  ? 0.50562 0.64162 0.50228 0.00761  -0.10157 0.03891  13  LYS A CG  
56   C CD  . LYS A 16  ? 0.57193 0.73085 0.57305 0.01630  -0.11635 0.04396  13  LYS A CD  
57   C CE  . LYS A 16  ? 0.60436 0.77236 0.62047 0.03093  -0.11351 0.05546  13  LYS A CE  
58   N NZ  . LYS A 16  ? 0.65248 0.84249 0.67047 0.04165  -0.12864 0.06151  13  LYS A NZ  
59   N N   . ALA A 17  ? 0.43868 0.53631 0.39959 -0.01231 -0.08817 0.01922  14  ALA A N   
60   C CA  . ALA A 17  ? 0.45588 0.55473 0.40378 -0.01807 -0.09529 0.00662  14  ALA A CA  
61   C C   . ALA A 17  ? 0.48246 0.59392 0.45441 -0.02595 -0.10676 -0.00355 14  ALA A C   
62   O O   . ALA A 17  ? 0.40137 0.52263 0.40127 -0.02861 -0.10722 0.00086  14  ALA A O   
63   C CB  . ALA A 17  ? 0.48192 0.56382 0.41508 -0.02215 -0.08373 0.00106  14  ALA A CB  
64   N N   . MET A 18  ? 0.47769 0.58902 0.43807 -0.02987 -0.11622 -0.01733 15  MET A N   
65   C CA  . MET A 18  ? 0.44383 0.56249 0.42358 -0.03877 -0.13031 -0.02892 15  MET A CA  
66   C C   . MET A 18  ? 0.49007 0.59019 0.46873 -0.04526 -0.12681 -0.04178 15  MET A C   
67   O O   . MET A 18  ? 0.46913 0.55938 0.42211 -0.04120 -0.12327 -0.05036 15  MET A O   
68   C CB  . MET A 18  ? 0.52231 0.65420 0.48861 -0.03684 -0.14804 -0.03716 15  MET A CB  
69   C CG  . MET A 18  ? 0.46372 0.61418 0.45896 -0.04448 -0.16469 -0.03940 15  MET A CG  
70   S SD  . MET A 18  ? 0.71803 0.89329 0.73600 -0.03767 -0.16289 -0.01890 15  MET A SD  
71   C CE  . MET A 18  ? 0.61672 0.78412 0.59717 -0.02147 -0.15384 -0.00827 15  MET A CE  
72   N N   . SER A 19  ? 0.46384 0.56071 0.47043 -0.05464 -0.12770 -0.04218 16  SER A N   
73   C CA  . SER A 19  ? 0.51302 0.59001 0.52065 -0.06017 -0.12644 -0.05353 16  SER A CA  
74   C C   . SER A 19  ? 0.50565 0.57664 0.49982 -0.06140 -0.14215 -0.07300 16  SER A C   
75   O O   . SER A 19  ? 0.50862 0.59125 0.50902 -0.06546 -0.15848 -0.07785 16  SER A O   
76   C CB  . SER A 19  ? 0.50661 0.58188 0.54716 -0.07109 -0.12629 -0.04756 16  SER A CB  
77   O OG  . SER A 19  ? 0.59449 0.64905 0.63782 -0.07746 -0.13149 -0.05976 16  SER A OG  
78   N N   . ARG A 20  ? 0.54282 0.59669 0.51839 -0.05700 -0.13755 -0.08507 17  ARG A N   
79   C CA  . ARG A 20  ? 0.59504 0.63952 0.55603 -0.05591 -0.15164 -0.10661 17  ARG A CA  
80   C C   . ARG A 20  ? 0.62639 0.65755 0.61274 -0.06831 -0.16662 -0.11472 17  ARG A C   
81   O O   . ARG A 20  ? 0.61597 0.64739 0.59984 -0.07176 -0.18020 -0.12530 17  ARG A O   
82   C CB  . ARG A 20  ? 0.64194 0.67326 0.58015 -0.04637 -0.14138 -0.11712 17  ARG A CB  
83   C CG  . ARG A 20  ? 0.59614 0.64110 0.50827 -0.03636 -0.12815 -0.11013 17  ARG A CG  
84   C CD  . ARG A 20  ? 0.52539 0.58575 0.41543 -0.03177 -0.13915 -0.11555 17  ARG A CD  
85   N NE  . ARG A 20  ? 0.55262 0.62682 0.42254 -0.02511 -0.12639 -0.10119 17  ARG A NE  
86   C CZ  . ARG A 20  ? 0.50988 0.58652 0.35621 -0.01765 -0.11388 -0.10286 17  ARG A CZ  
87   N NH1 . ARG A 20  ? 0.52556 0.59488 0.36297 -0.01280 -0.11270 -0.12037 17  ARG A NH1 
88   N NH2 . ARG A 20  ? 0.54725 0.63414 0.37965 -0.01491 -0.10238 -0.08610 17  ARG A NH2 
89   N N   . SER A 21  ? 0.64202 0.66104 0.65117 -0.07526 -0.15938 -0.10614 18  SER A N   
90   C CA  . SER A 21  ? 0.67954 0.68160 0.71055 -0.08718 -0.16915 -0.11051 18  SER A CA  
91   C C   . SER A 21  ? 0.60969 0.63038 0.66526 -0.09936 -0.17839 -0.10191 18  SER A C   
92   O O   . SER A 21  ? 0.63459 0.64934 0.69430 -0.10603 -0.18896 -0.11055 18  SER A O   
93   C CB  . SER A 21  ? 0.71905 0.70544 0.76659 -0.09114 -0.15923 -0.10095 18  SER A CB  
94   O OG  . SER A 21  ? 0.79999 0.78498 0.82828 -0.07854 -0.14250 -0.09897 18  SER A OG  
95   N N   . SER A 22  ? 0.57916 0.62387 0.65140 -0.10181 -0.17476 -0.08501 19  SER A N   
96   C CA  . SER A 22  ? 0.51676 0.58405 0.61867 -0.11279 -0.18006 -0.07382 19  SER A CA  
97   C C   . SER A 22  ? 0.48291 0.57996 0.58149 -0.10797 -0.18805 -0.07142 19  SER A C   
98   O O   . SER A 22  ? 0.45144 0.56970 0.57264 -0.11577 -0.19500 -0.06642 19  SER A O   
99   C CB  . SER A 22  ? 0.51466 0.59128 0.64348 -0.11866 -0.16804 -0.05355 19  SER A CB  
100  O OG  . SER A 22  ? 0.46808 0.55986 0.58657 -0.10629 -0.15404 -0.04261 19  SER A OG  
101  N N   . GLY A 23  ? 0.49151 0.59163 0.56135 -0.09405 -0.18465 -0.07340 20  GLY A N   
102  C CA  . GLY A 23  ? 0.45680 0.58407 0.52177 -0.08718 -0.18993 -0.06740 20  GLY A CA  
103  C C   . GLY A 23  ? 0.43474 0.58504 0.52136 -0.08452 -0.17907 -0.04642 20  GLY A C   
104  O O   . GLY A 23  ? 0.41195 0.58560 0.49791 -0.07746 -0.18398 -0.03984 20  GLY A O   
105  N N   . ARG A 24  ? 0.39480 0.53949 0.49921 -0.08843 -0.16478 -0.03609 21  ARG A N   
106  C CA  . ARG A 24  ? 0.36468 0.53005 0.48668 -0.08344 -0.15259 -0.01793 21  ARG A CA  
107  C C   . ARG A 24  ? 0.32148 0.47789 0.41627 -0.06733 -0.13694 -0.01217 21  ARG A C   
108  O O   . ARG A 24  ? 0.32610 0.45873 0.39589 -0.06378 -0.12951 -0.01866 21  ARG A O   
109  C CB  . ARG A 24  ? 0.38865 0.55265 0.53796 -0.09402 -0.14358 -0.00930 21  ARG A CB  
110  C CG  . ARG A 24  ? 0.43200 0.62874 0.62062 -0.10448 -0.15031 0.00103  21  ARG A CG  
111  C CD  . ARG A 24  ? 0.39868 0.59160 0.61257 -0.11875 -0.14377 0.00903  21  ARG A CD  
112  N NE  . ARG A 24  ? 0.38709 0.57259 0.59389 -0.11024 -0.12260 0.01880  21  ARG A NE  
113  C CZ  . ARG A 24  ? 0.35795 0.51412 0.55246 -0.11225 -0.11449 0.01622  21  ARG A CZ  
114  N NH1 . ARG A 24  ? 0.47228 0.60112 0.65909 -0.12058 -0.12465 0.00382  21  ARG A NH1 
115  N NH2 . ARG A 24  ? 0.34400 0.49840 0.53383 -0.10482 -0.09661 0.02565  21  ARG A NH2 
116  N N   . VAL A 25  ? 0.31942 0.49582 0.42050 -0.05753 -0.13280 0.00022  22  VAL A N   
117  C CA  . VAL A 25  ? 0.32508 0.49113 0.40357 -0.04315 -0.11926 0.00747  22  VAL A CA  
118  C C   . VAL A 25  ? 0.30619 0.45437 0.38472 -0.04424 -0.10195 0.01085  22  VAL A C   
119  O O   . VAL A 25  ? 0.29892 0.45347 0.40152 -0.05197 -0.09802 0.01443  22  VAL A O   
120  C CB  . VAL A 25  ? 0.35368 0.54400 0.44343 -0.03165 -0.12029 0.01952  22  VAL A CB  
121  C CG1 . VAL A 25  ? 0.42419 0.59920 0.49284 -0.01723 -0.10711 0.02756  22  VAL A CG1 
122  C CG2 . VAL A 25  ? 0.42142 0.63071 0.50911 -0.02967 -0.13895 0.01652  22  VAL A CG2 
123  N N   . TYR A 26  ? 0.30827 0.43531 0.35970 -0.03735 -0.09196 0.01049  23  TYR A N   
124  C CA  . TYR A 26  ? 0.27858 0.39091 0.32835 -0.03644 -0.07631 0.01453  23  TYR A CA  
125  C C   . TYR A 26  ? 0.29991 0.39947 0.32595 -0.02539 -0.06798 0.02005  23  TYR A C   
126  O O   . TYR A 26  ? 0.34053 0.44204 0.35183 -0.01876 -0.07389 0.02217  23  TYR A O   
127  C CB  . TYR A 26  ? 0.28984 0.38423 0.33455 -0.04524 -0.07370 0.00544  23  TYR A CB  
128  C CG  . TYR A 26  ? 0.32134 0.40019 0.33749 -0.04305 -0.07368 -0.00308 23  TYR A CG  
129  C CD1 . TYR A 26  ? 0.38402 0.46582 0.39040 -0.04451 -0.08613 -0.01319 23  TYR A CD1 
130  C CD2 . TYR A 26  ? 0.36174 0.42540 0.36098 -0.03986 -0.06134 -0.00144 23  TYR A CD2 
131  C CE1 . TYR A 26  ? 0.41119 0.48335 0.39107 -0.04142 -0.08465 -0.02084 23  TYR A CE1 
132  C CE2 . TYR A 26  ? 0.35893 0.41417 0.33470 -0.03852 -0.06016 -0.00797 23  TYR A CE2 
133  C CZ  . TYR A 26  ? 0.43764 0.49818 0.40342 -0.03863 -0.07107 -0.01748 23  TYR A CZ  
134  O OH  . TYR A 26  ? 0.49746 0.55404 0.43894 -0.03600 -0.06866 -0.02393 23  TYR A OH  
135  N N   . TYR A 27  ? 0.26886 0.35419 0.29064 -0.02409 -0.05509 0.02288  24  TYR A N   
136  C CA  . TYR A 27  ? 0.29667 0.36637 0.29833 -0.01564 -0.04757 0.02839  24  TYR A CA  
137  C C   . TYR A 27  ? 0.28274 0.33271 0.26797 -0.02100 -0.03949 0.02412  24  TYR A C   
138  O O   . TYR A 27  ? 0.24582 0.29313 0.23957 -0.02715 -0.03482 0.02002  24  TYR A O   
139  C CB  . TYR A 27  ? 0.28042 0.35326 0.29270 -0.00673 -0.04073 0.03578  24  TYR A CB  
140  C CG  . TYR A 27  ? 0.33259 0.42986 0.36284 0.00032  -0.04830 0.04060  24  TYR A CG  
141  C CD1 . TYR A 27  ? 0.36610 0.46346 0.38611 0.01170  -0.05400 0.04611  24  TYR A CD1 
142  C CD2 . TYR A 27  ? 0.32575 0.44764 0.38429 -0.00500 -0.05059 0.04077  24  TYR A CD2 
143  C CE1 . TYR A 27  ? 0.42548 0.54877 0.46357 0.01947  -0.06191 0.05061  24  TYR A CE1 
144  C CE2 . TYR A 27  ? 0.37200 0.52183 0.45030 0.00064  -0.05799 0.04562  24  TYR A CE2 
145  C CZ  . TYR A 27  ? 0.44194 0.59336 0.51018 0.01372  -0.06376 0.04993  24  TYR A CZ  
146  O OH  . TYR A 27  ? 0.43043 0.61279 0.51972 0.02090  -0.07188 0.05491  24  TYR A OH  
147  N N   . PHE A 28  ? 0.30642 0.34419 0.26876 -0.01879 -0.03808 0.02643  25  PHE A N   
148  C CA  . PHE A 28  ? 0.30104 0.32545 0.24862 -0.02444 -0.03095 0.02325  25  PHE A CA  
149  C C   . PHE A 28  ? 0.33925 0.34653 0.27164 -0.02125 -0.02486 0.03166  25  PHE A C   
150  O O   . PHE A 28  ? 0.38394 0.38768 0.30758 -0.01475 -0.02870 0.03933  25  PHE A O   
151  C CB  . PHE A 28  ? 0.36061 0.39040 0.29431 -0.02774 -0.03581 0.01705  25  PHE A CB  
152  C CG  . PHE A 28  ? 0.40444 0.42662 0.32337 -0.03229 -0.02785 0.01509  25  PHE A CG  
153  C CD1 . PHE A 28  ? 0.34243 0.36253 0.26990 -0.03686 -0.02256 0.00818  25  PHE A CD1 
154  C CD2 . PHE A 28  ? 0.37803 0.39736 0.27552 -0.03215 -0.02580 0.02142  25  PHE A CD2 
155  C CE1 . PHE A 28  ? 0.33911 0.35716 0.25595 -0.04051 -0.01544 0.00642  25  PHE A CE1 
156  C CE2 . PHE A 28  ? 0.39258 0.41036 0.27934 -0.03756 -0.01778 0.02071  25  PHE A CE2 
157  C CZ  . PHE A 28  ? 0.35999 0.37852 0.25748 -0.04139 -0.01266 0.01257  25  PHE A CZ  
158  N N   . ASN A 29  ? 0.31323 0.30874 0.24248 -0.02598 -0.01666 0.03048  26  ASN A N   
159  C CA  . ASN A 29  ? 0.34420 0.32020 0.25911 -0.02595 -0.01206 0.03738  26  ASN A CA  
160  C C   . ASN A 29  ? 0.30536 0.27956 0.20680 -0.03520 -0.00821 0.03704  26  ASN A C   
161  O O   . ASN A 29  ? 0.30645 0.28630 0.21341 -0.04092 -0.00412 0.03014  26  ASN A O   
162  C CB  . ASN A 29  ? 0.31128 0.27642 0.23334 -0.02409 -0.00666 0.03615  26  ASN A CB  
163  C CG  . ASN A 29  ? 0.39615 0.33665 0.30363 -0.02349 -0.00449 0.04198  26  ASN A CG  
164  O OD1 . ASN A 29  ? 0.34222 0.27376 0.23778 -0.03239 -0.00237 0.04455  26  ASN A OD1 
165  N ND2 . ASN A 29  ? 0.40326 0.33289 0.31208 -0.01293 -0.00532 0.04409  26  ASN A ND2 
166  N N   . HIS A 30  ? 0.33372 0.30273 0.21801 -0.03617 -0.00950 0.04537  27  HIS A N   
167  C CA  . HIS A 30  ? 0.33062 0.30473 0.20316 -0.04514 -0.00476 0.04630  27  HIS A CA  
168  C C   . HIS A 30  ? 0.36329 0.32386 0.23442 -0.05383 0.00196  0.04925  27  HIS A C   
169  O O   . HIS A 30  ? 0.35063 0.32098 0.21782 -0.06221 0.00706  0.04885  27  HIS A O   
170  C CB  . HIS A 30  ? 0.36274 0.33884 0.21614 -0.04447 -0.00770 0.05626  27  HIS A CB  
171  C CG  . HIS A 30  ? 0.39991 0.35251 0.24149 -0.04563 -0.00770 0.07069  27  HIS A CG  
172  N ND1 . HIS A 30  ? 0.46404 0.40291 0.30414 -0.03555 -0.01437 0.07726  27  HIS A ND1 
173  C CD2 . HIS A 30  ? 0.41967 0.35910 0.25092 -0.05585 -0.00269 0.08020  27  HIS A CD2 
174  C CE1 . HIS A 30  ? 0.46221 0.37623 0.28998 -0.03840 -0.01388 0.08968  27  HIS A CE1 
175  N NE2 . HIS A 30  ? 0.47764 0.39094 0.30007 -0.05210 -0.00704 0.09208  27  HIS A NE2 
176  N N   . ILE A 31  ? 0.34342 0.28363 0.21794 -0.05166 0.00169  0.05131  28  ILE A N   
177  C CA  . ILE A 31  ? 0.36602 0.29191 0.23882 -0.06080 0.00596  0.05246  28  ILE A CA  
178  C C   . ILE A 31  ? 0.37036 0.30658 0.25712 -0.06274 0.00929  0.04143  28  ILE A C   
179  O O   . ILE A 31  ? 0.36427 0.30509 0.25215 -0.07231 0.01310  0.03987  28  ILE A O   
180  C CB  . ILE A 31  ? 0.38831 0.28385 0.25487 -0.05673 0.00296  0.05798  28  ILE A CB  
181  C CG1 . ILE A 31  ? 0.40224 0.28451 0.25409 -0.05394 -0.00138 0.07097  28  ILE A CG1 
182  C CG2 . ILE A 31  ? 0.38228 0.26090 0.24695 -0.06744 0.00536  0.05705  28  ILE A CG2 
183  C CD1 . ILE A 31  ? 0.42191 0.27183 0.26799 -0.04545 -0.00590 0.07525  28  ILE A CD1 
184  N N   . THR A 32  ? 0.34051 0.28266 0.23885 -0.05408 0.00768  0.03489  29  THR A N   
185  C CA  . THR A 32  ? 0.32376 0.27455 0.23430 -0.05499 0.01022  0.02659  29  THR A CA  
186  C C   . THR A 32  ? 0.31865 0.29010 0.23795 -0.05476 0.00974  0.02052  29  THR A C   
187  O O   . THR A 32  ? 0.28597 0.26413 0.21458 -0.05598 0.01143  0.01476  29  THR A O   
188  C CB  . THR A 32  ? 0.33063 0.27575 0.24855 -0.04634 0.00955  0.02462  29  THR A CB  
189  O OG1 . THR A 32  ? 0.31574 0.27183 0.24114 -0.03903 0.00602  0.02543  29  THR A OG1 
190  C CG2 . THR A 32  ? 0.33742 0.25869 0.24485 -0.04324 0.00906  0.02825  29  THR A CG2 
191  N N   . ASN A 33  ? 0.29448 0.27437 0.21002 -0.05230 0.00637  0.02130  30  ASN A N   
192  C CA  . ASN A 33  ? 0.27950 0.27489 0.20173 -0.05058 0.00362  0.01355  30  ASN A CA  
193  C C   . ASN A 33  ? 0.27023 0.26753 0.20898 -0.04688 0.00057  0.00949  30  ASN A C   
194  O O   . ASN A 33  ? 0.24931 0.25420 0.19625 -0.04687 -0.00218 0.00250  30  ASN A O   
195  C CB  . ASN A 33  ? 0.28154 0.28697 0.20240 -0.05502 0.00778  0.00822  30  ASN A CB  
196  C CG  . ASN A 33  ? 0.31676 0.32783 0.22233 -0.05918 0.01098  0.01333  30  ASN A CG  
197  O OD1 . ASN A 33  ? 0.32409 0.33517 0.21869 -0.05704 0.00803  0.01808  30  ASN A OD1 
198  N ND2 . ASN A 33  ? 0.28601 0.30407 0.19102 -0.06544 0.01682  0.01373  30  ASN A ND2 
199  N N   . ALA A 34  ? 0.24679 0.23735 0.19019 -0.04331 0.00072  0.01432  31  ALA A N   
200  C CA  . ALA A 34  ? 0.28042 0.27738 0.24013 -0.04027 -0.00149 0.01351  31  ALA A CA  
201  C C   . ALA A 34  ? 0.28209 0.28925 0.24784 -0.03789 -0.00913 0.01330  31  ALA A C   
202  O O   . ALA A 34  ? 0.28449 0.29158 0.24046 -0.03497 -0.01250 0.01637  31  ALA A O   
203  C CB  . ALA A 34  ? 0.29865 0.28947 0.26033 -0.03533 0.00230  0.01832  31  ALA A CB  
204  N N   . SER A 35  ? 0.26081 0.27662 0.24316 -0.03979 -0.01281 0.01052  32  SER A N   
205  C CA  . SER A 35  ? 0.25943 0.28654 0.25152 -0.03947 -0.02170 0.00984  32  SER A CA  
206  C C   . SER A 35  ? 0.28276 0.31948 0.29725 -0.04144 -0.02225 0.01339  32  SER A C   
207  O O   . SER A 35  ? 0.26534 0.29875 0.28662 -0.04488 -0.01782 0.01370  32  SER A O   
208  C CB  . SER A 35  ? 0.34073 0.36875 0.32823 -0.04296 -0.02888 0.00037  32  SER A CB  
209  O OG  . SER A 35  ? 0.33050 0.35227 0.32155 -0.04660 -0.02671 -0.00545 32  SER A OG  
210  N N   . GLN A 36  ? 0.25518 0.30620 0.28155 -0.03931 -0.02772 0.01735  33  GLN A N   
211  C CA  . GLN A 36  ? 0.26757 0.33398 0.31736 -0.04142 -0.02706 0.02333  33  GLN A CA  
212  C C   . GLN A 36  ? 0.26235 0.34831 0.32685 -0.04149 -0.03699 0.02523  33  GLN A C   
213  O O   . GLN A 36  ? 0.29446 0.38172 0.34836 -0.03582 -0.04236 0.02410  33  GLN A O   
214  C CB  . GLN A 36  ? 0.26224 0.33036 0.31122 -0.03367 -0.01620 0.03012  33  GLN A CB  
215  C CG  . GLN A 36  ? 0.31802 0.38807 0.35902 -0.02205 -0.01574 0.03332  33  GLN A CG  
216  C CD  . GLN A 36  ? 0.41385 0.48069 0.45054 -0.01268 -0.00559 0.03687  33  GLN A CD  
217  O OE1 . GLN A 36  ? 0.41844 0.47190 0.44543 -0.01461 0.00105  0.03475  33  GLN A OE1 
218  N NE2 . GLN A 36  ? 0.41985 0.49962 0.46322 -0.00134 -0.00507 0.04135  33  GLN A NE2 
219  N N   . TRP A 37  ? 0.28300 0.38579 0.37279 -0.04860 -0.03975 0.02945  34  TRP A N   
220  C CA  . TRP A 37  ? 0.28754 0.41375 0.39631 -0.05064 -0.05017 0.03177  34  TRP A CA  
221  C C   . TRP A 37  ? 0.30266 0.44950 0.41868 -0.03855 -0.04543 0.04030  34  TRP A C   
222  O O   . TRP A 37  ? 0.31785 0.47953 0.43800 -0.03360 -0.05405 0.04102  34  TRP A O   
223  C CB  . TRP A 37  ? 0.27041 0.40859 0.40657 -0.06501 -0.05537 0.03468  34  TRP A CB  
224  C CG  . TRP A 37  ? 0.28392 0.40056 0.41548 -0.07582 -0.06346 0.02514  34  TRP A CG  
225  C CD1 . TRP A 37  ? 0.26520 0.36610 0.39914 -0.08305 -0.05960 0.02567  34  TRP A CD1 
226  C CD2 . TRP A 37  ? 0.29619 0.40407 0.41838 -0.07865 -0.07741 0.01290  34  TRP A CD2 
227  N NE1 . TRP A 37  ? 0.32286 0.40404 0.45060 -0.08930 -0.07039 0.01397  34  TRP A NE1 
228  C CE2 . TRP A 37  ? 0.30955 0.39506 0.42920 -0.08663 -0.08113 0.00509  34  TRP A CE2 
229  C CE3 . TRP A 37  ? 0.32056 0.43765 0.43488 -0.07405 -0.08758 0.00765  34  TRP A CE3 
230  C CZ2 . TRP A 37  ? 0.37991 0.45177 0.48912 -0.08934 -0.09419 -0.00955 34  TRP A CZ2 
231  C CZ3 . TRP A 37  ? 0.33404 0.43941 0.43690 -0.07783 -0.10037 -0.00597 34  TRP A CZ3 
232  C CH2 . TRP A 37  ? 0.38696 0.46974 0.48697 -0.08495 -0.10335 -0.01540 34  TRP A CH2 
233  N N   . GLU A 38  ? 0.29536 0.44426 0.41273 -0.03251 -0.03245 0.04624  35  GLU A N   
234  C CA  . GLU A 38  ? 0.32358 0.49348 0.44972 -0.01911 -0.02669 0.05333  35  GLU A CA  
235  C C   . GLU A 38  ? 0.39610 0.54836 0.49779 -0.00400 -0.02571 0.05098  35  GLU A C   
236  O O   . GLU A 38  ? 0.37360 0.49672 0.45084 -0.00434 -0.02322 0.04605  35  GLU A O   
237  C CB  . GLU A 38  ? 0.41108 0.58833 0.54367 -0.01721 -0.01287 0.05897  35  GLU A CB  
238  C CG  . GLU A 38  ? 0.36759 0.55573 0.52041 -0.03371 -0.01221 0.06389  35  GLU A CG  
239  C CD  . GLU A 38  ? 0.39532 0.55292 0.53379 -0.04462 -0.01403 0.05783  35  GLU A CD  
240  O OE1 . GLU A 38  ? 0.30792 0.43954 0.42100 -0.03929 -0.01276 0.05029  35  GLU A OE1 
241  O OE2 . GLU A 38  ? 0.37564 0.53570 0.52937 -0.05862 -0.01708 0.06122  35  GLU A OE2 
242  N N   . ARG A 39  ? 0.38451 0.55511 0.49402 0.00919  -0.02799 0.05547  36  ARG A N   
243  C CA  . ARG A 39  ? 0.46631 0.61748 0.55333 0.02451  -0.02800 0.05516  36  ARG A CA  
244  C C   . ARG A 39  ? 0.53479 0.66420 0.60565 0.03237  -0.01546 0.05369  36  ARG A C   
245  O O   . ARG A 39  ? 0.50097 0.64559 0.58381 0.03599  -0.00637 0.05552  36  ARG A O   
246  C CB  . ARG A 39  ? 0.46812 0.64433 0.56880 0.03947  -0.03350 0.06072  36  ARG A CB  
247  C CG  . ARG A 39  ? 0.50250 0.65918 0.58129 0.05040  -0.04129 0.06172  36  ARG A CG  
248  C CD  . ARG A 39  ? 0.53355 0.71760 0.62787 0.06639  -0.04853 0.06779  36  ARG A CD  
249  N NE  . ARG A 39  ? 0.58763 0.77083 0.67283 0.06605  -0.06297 0.06944  36  ARG A NE  
250  C CZ  . ARG A 39  ? 0.59783 0.75838 0.65978 0.07846  -0.06728 0.07334  36  ARG A CZ  
251  N NH1 . ARG A 39  ? 0.66392 0.79709 0.70995 0.09186  -0.05934 0.07511  36  ARG A NH1 
252  N NH2 . ARG A 39  ? 0.60561 0.76981 0.65898 0.07721  -0.08063 0.07573  36  ARG A NH2 
253  N N   . PRO A 40  ? 0.52592 0.62130 0.56962 0.03431  -0.01485 0.05057  37  PRO A N   
254  C CA  . PRO A 40  ? 0.57616 0.64877 0.60410 0.03928  -0.00495 0.04756  37  PRO A CA  
255  C C   . PRO A 40  ? 0.65351 0.72340 0.67787 0.05985  -0.00176 0.04886  37  PRO A C   
256  O O   . PRO A 40  ? 0.68830 0.76045 0.71295 0.07143  -0.00836 0.05261  37  PRO A O   
257  C CB  . PRO A 40  ? 0.54422 0.58399 0.54734 0.03133  -0.00740 0.04470  37  PRO A CB  
258  C CG  . PRO A 40  ? 0.50847 0.55114 0.50884 0.03156  -0.01773 0.04818  37  PRO A CG  
259  C CD  . PRO A 40  ? 0.49772 0.57533 0.52383 0.02927  -0.02329 0.04969  37  PRO A CD  
260  N N   . SER A 41  ? 0.71257 0.77724 0.73232 0.06555  0.00798  0.04514  38  SER A N   
261  C CA  . SER A 41  ? 0.78456 0.84039 0.79602 0.08665  0.01214  0.04279  38  SER A CA  
262  C C   . SER A 41  ? 0.83437 0.91904 0.86413 0.10409  0.00944  0.04767  38  SER A C   
263  O O   . SER A 41  ? 0.83472 0.92205 0.86326 0.12446  0.01426  0.04525  38  SER A O   
264  C CB  . SER A 41  ? 0.78773 0.79750 0.77108 0.08975  0.00804  0.03970  38  SER A CB  
265  O OG  . SER A 41  ? 0.73589 0.72414 0.70548 0.07221  0.00937  0.03618  38  SER A OG  
266  N N   . GLU A 54  ? 0.99784 0.59594 0.78711 0.06669  -0.03010 0.00766  51  GLU A N   
267  C CA  . GLU A 54  ? 0.95120 0.56848 0.74535 0.04284  -0.02599 0.00492  51  GLU A CA  
268  C C   . GLU A 54  ? 0.96373 0.55744 0.74529 0.04111  -0.02834 -0.01199 51  GLU A C   
269  O O   . GLU A 54  ? 0.90033 0.44520 0.66521 0.04289  -0.03723 -0.01696 51  GLU A O   
270  C CB  . GLU A 54  ? 0.90447 0.51382 0.69805 0.01742  -0.02931 0.01974  51  GLU A CB  
271  C CG  . GLU A 54  ? 0.82973 0.45487 0.62796 -0.00680 -0.02644 0.01671  51  GLU A CG  
272  C CD  . GLU A 54  ? 0.75030 0.37210 0.54873 -0.03061 -0.02839 0.03180  51  GLU A CD  
273  O OE1 . GLU A 54  ? 0.69281 0.34123 0.49893 -0.03237 -0.02468 0.04338  51  GLU A OE1 
274  O OE2 . GLU A 54  ? 0.75075 0.34461 0.54151 -0.04785 -0.03383 0.03198  51  GLU A OE2 
275  N N   . PRO A 55  ? 0.94092 0.56763 0.72941 0.03770  -0.02147 -0.02083 52  PRO A N   
276  C CA  . PRO A 55  ? 0.94258 0.55174 0.71768 0.03695  -0.02414 -0.03765 52  PRO A CA  
277  C C   . PRO A 55  ? 0.91944 0.50002 0.68734 0.01077  -0.03257 -0.03692 52  PRO A C   
278  O O   . PRO A 55  ? 0.93650 0.52996 0.71464 -0.01009 -0.03200 -0.02381 52  PRO A O   
279  C CB  . PRO A 55  ? 0.88082 0.53894 0.66741 0.03770  -0.01429 -0.04200 52  PRO A CB  
280  C CG  . PRO A 55  ? 0.85241 0.54564 0.65874 0.02669  -0.00914 -0.02674 52  PRO A CG  
281  C CD  . PRO A 55  ? 0.90393 0.58375 0.71172 0.03468  -0.01205 -0.01570 52  PRO A CD  
282  N N   . ALA A 56  ? 0.87227 0.41529 0.62248 0.01214  -0.04067 -0.05185 53  ALA A N   
283  C CA  . ALA A 56  ? 0.83641 0.35265 0.58148 -0.01410 -0.05024 -0.05219 53  ALA A CA  
284  C C   . ALA A 56  ? 0.79252 0.34791 0.54926 -0.03353 -0.04621 -0.05248 53  ALA A C   
285  O O   . ALA A 56  ? 0.73813 0.29409 0.50213 -0.05893 -0.04974 -0.04367 53  ALA A O   
286  C CB  . ALA A 56  ? 0.88059 0.36873 0.61485 -0.00690 -0.05898 -0.06774 53  ALA A CB  
287  N N   . ARG A 57  ? 0.76404 0.35483 0.52371 -0.02153 -0.03863 -0.06137 54  ARG A N   
288  C CA  . ARG A 57  ? 0.65227 0.28081 0.42280 -0.03631 -0.03522 -0.06155 54  ARG A CA  
289  C C   . ARG A 57  ? 0.62395 0.29975 0.40825 -0.02394 -0.02288 -0.05647 54  ARG A C   
290  O O   . ARG A 57  ? 0.58272 0.26386 0.36452 -0.00203 -0.01742 -0.05902 54  ARG A O   
291  C CB  . ARG A 57  ? 0.71601 0.33392 0.47187 -0.03812 -0.04216 -0.07962 54  ARG A CB  
292  C CG  . ARG A 57  ? 0.81368 0.38041 0.55083 -0.03528 -0.05396 -0.09152 54  ARG A CG  
293  C CD  . ARG A 57  ? 0.87279 0.44256 0.60616 -0.04419 -0.06188 -0.10492 54  ARG A CD  
294  N NE  . ARG A 57  ? 0.88390 0.46518 0.63378 -0.07292 -0.06703 -0.09578 54  ARG A NE  
295  C CZ  . ARG A 57  ? 0.83839 0.45117 0.59554 -0.08539 -0.06722 -0.09749 54  ARG A CZ  
296  N NH1 . ARG A 57  ? 0.82547 0.45921 0.57276 -0.07318 -0.06325 -0.10757 54  ARG A NH1 
297  N NH2 . ARG A 57  ? 0.84622 0.47232 0.62133 -0.10958 -0.07126 -0.08812 54  ARG A NH2 
298  N N   . VAL A 58  ? 0.53383 0.24418 0.33403 -0.03839 -0.01887 -0.04870 55  VAL A N   
299  C CA  . VAL A 58  ? 0.51142 0.26405 0.32467 -0.03042 -0.00916 -0.04480 55  VAL A CA  
300  C C   . VAL A 58  ? 0.49291 0.26765 0.30951 -0.04132 -0.00992 -0.04884 55  VAL A C   
301  O O   . VAL A 58  ? 0.53183 0.29769 0.34725 -0.05835 -0.01702 -0.05096 55  VAL A O   
302  C CB  . VAL A 58  ? 0.44480 0.21827 0.27555 -0.03410 -0.00387 -0.03005 55  VAL A CB  
303  C CG1 . VAL A 58  ? 0.50007 0.25434 0.32742 -0.02210 -0.00418 -0.02514 55  VAL A CG1 
304  C CG2 . VAL A 58  ? 0.49283 0.27063 0.33146 -0.05608 -0.00673 -0.02294 55  VAL A CG2 
305  N N   . ARG A 59  ? 0.44987 0.25465 0.27147 -0.03156 -0.00300 -0.04888 56  ARG A N   
306  C CA  . ARG A 59  ? 0.41779 0.24786 0.24498 -0.03983 -0.00311 -0.04934 56  ARG A CA  
307  C C   . ARG A 59  ? 0.41624 0.27714 0.26377 -0.04173 0.00374  -0.03730 56  ARG A C   
308  O O   . ARG A 59  ? 0.41366 0.28421 0.26739 -0.03071 0.01016  -0.03198 56  ARG A O   
309  C CB  . ARG A 59  ? 0.46933 0.30659 0.28251 -0.02722 -0.00181 -0.05870 56  ARG A CB  
310  C CG  . ARG A 59  ? 0.44156 0.30362 0.25841 -0.03449 -0.00329 -0.05827 56  ARG A CG  
311  C CD  . ARG A 59  ? 0.47897 0.34839 0.27839 -0.02121 -0.00183 -0.06632 56  ARG A CD  
312  N NE  . ARG A 59  ? 0.48504 0.37702 0.28613 -0.02740 -0.00464 -0.06490 56  ARG A NE  
313  C CZ  . ARG A 59  ? 0.56625 0.46960 0.35170 -0.01821 -0.00425 -0.06975 56  ARG A CZ  
314  N NH1 . ARG A 59  ? 0.56313 0.45950 0.32974 -0.00204 -0.00013 -0.07747 56  ARG A NH1 
315  N NH2 . ARG A 59  ? 0.52859 0.45241 0.31666 -0.02404 -0.00795 -0.06653 56  ARG A NH2 
316  N N   . CYS A 60  ? 0.39955 0.27614 0.25812 -0.05530 0.00170  -0.03362 57  CYS A N   
317  C CA  . CYS A 60  ? 0.33611 0.23808 0.21255 -0.05644 0.00680  -0.02433 57  CYS A CA  
318  C C   . CYS A 60  ? 0.34905 0.27339 0.23241 -0.06100 0.00548  -0.02424 57  CYS A C   
319  O O   . CYS A 60  ? 0.36879 0.29182 0.24691 -0.06844 -0.00051 -0.02984 57  CYS A O   
320  C CB  . CYS A 60  ? 0.35414 0.25390 0.23948 -0.06623 0.00653  -0.01796 57  CYS A CB  
321  S SG  . CYS A 60  ? 0.36056 0.23788 0.23980 -0.05869 0.00787  -0.01453 57  CYS A SG  
322  N N   . SER A 61  ? 0.32477 0.26886 0.22046 -0.05647 0.00998  -0.01771 58  SER A N   
323  C CA  . SER A 61  ? 0.30718 0.27146 0.21347 -0.06036 0.00845  -0.01529 58  SER A CA  
324  C C   . SER A 61  ? 0.31088 0.28378 0.23199 -0.06496 0.01008  -0.01059 58  SER A C   
325  O O   . SER A 61  ? 0.30787 0.27395 0.23080 -0.06350 0.01292  -0.00785 58  SER A O   
326  C CB  . SER A 61  ? 0.29951 0.27642 0.20696 -0.05114 0.01125  -0.01117 58  SER A CB  
327  O OG  . SER A 61  ? 0.33110 0.30295 0.22206 -0.04514 0.01093  -0.01563 58  SER A OG  
328  N N   . HIS A 62  ? 0.27996 0.26917 0.21086 -0.06937 0.00786  -0.01031 59  HIS A N   
329  C CA  . HIS A 62  ? 0.26348 0.26275 0.20657 -0.07125 0.00983  -0.00766 59  HIS A CA  
330  C C   . HIS A 62  ? 0.27339 0.29117 0.22787 -0.06780 0.00822  -0.00715 59  HIS A C   
331  O O   . HIS A 62  ? 0.28782 0.31239 0.24132 -0.06632 0.00476  -0.00790 59  HIS A O   
332  C CB  . HIS A 62  ? 0.27070 0.26933 0.21350 -0.08209 0.00943  -0.00830 59  HIS A CB  
333  C CG  . HIS A 62  ? 0.27567 0.28917 0.22357 -0.09061 0.00572  -0.01067 59  HIS A CG  
334  N ND1 . HIS A 62  ? 0.27304 0.30292 0.23003 -0.09856 0.00704  -0.00912 59  HIS A ND1 
335  C CD2 . HIS A 62  ? 0.32679 0.34484 0.27269 -0.09240 0.00049  -0.01422 59  HIS A CD2 
336  C CE1 . HIS A 62  ? 0.33165 0.37707 0.29472 -0.10543 0.00285  -0.01125 59  HIS A CE1 
337  N NE2 . HIS A 62  ? 0.32526 0.36275 0.28130 -0.10198 -0.00199 -0.01474 59  HIS A NE2 
338  N N   . LEU A 63  ? 0.24401 0.26874 0.20806 -0.06511 0.00999  -0.00624 60  LEU A N   
339  C CA  . LEU A 63  ? 0.21914 0.25931 0.19447 -0.06036 0.00808  -0.00717 60  LEU A CA  
340  C C   . LEU A 63  ? 0.25777 0.31095 0.23877 -0.06383 0.01014  -0.01009 60  LEU A C   
341  O O   . LEU A 63  ? 0.23571 0.28369 0.21456 -0.06412 0.01303  -0.01006 60  LEU A O   
342  C CB  . LEU A 63  ? 0.25571 0.28947 0.23608 -0.05192 0.00770  -0.00441 60  LEU A CB  
343  C CG  . LEU A 63  ? 0.24040 0.28142 0.23109 -0.04416 0.00413  -0.00469 60  LEU A CG  
344  C CD1 . LEU A 63  ? 0.23739 0.26518 0.23060 -0.03948 0.00273  0.00090  60  LEU A CD1 
345  C CD2 . LEU A 63  ? 0.25609 0.30704 0.25394 -0.04148 0.00465  -0.01091 60  LEU A CD2 
346  N N   . LEU A 64  ? 0.22989 0.30284 0.21798 -0.06621 0.00875  -0.01213 61  LEU A N   
347  C CA  . LEU A 64  ? 0.23972 0.33163 0.23386 -0.06982 0.01217  -0.01393 61  LEU A CA  
348  C C   . LEU A 64  ? 0.22349 0.33241 0.22881 -0.05800 0.01177  -0.01811 61  LEU A C   
349  O O   . LEU A 64  ? 0.23103 0.34756 0.24332 -0.05168 0.00745  -0.01881 61  LEU A O   
350  C CB  . LEU A 64  ? 0.22579 0.33266 0.22282 -0.08207 0.01119  -0.01292 61  LEU A CB  
351  C CG  . LEU A 64  ? 0.20441 0.33925 0.21070 -0.08686 0.01571  -0.01280 61  LEU A CG  
352  C CD1 . LEU A 64  ? 0.23349 0.35949 0.23088 -0.09109 0.02143  -0.00974 61  LEU A CD1 
353  C CD2 . LEU A 64  ? 0.23965 0.39125 0.25265 -0.10083 0.01299  -0.01084 61  LEU A CD2 
354  N N   . VAL A 65  ? 0.21122 0.32550 0.21692 -0.05373 0.01561  -0.02134 62  VAL A N   
355  C CA  . VAL A 65  ? 0.20869 0.34164 0.22398 -0.04158 0.01571  -0.02769 62  VAL A CA  
356  C C   . VAL A 65  ? 0.21127 0.37406 0.23016 -0.04641 0.02203  -0.02860 62  VAL A C   
357  O O   . VAL A 65  ? 0.22880 0.39007 0.23894 -0.05254 0.02692  -0.02683 62  VAL A O   
358  C CB  . VAL A 65  ? 0.21898 0.33541 0.23092 -0.03081 0.01425  -0.03293 62  VAL A CB  
359  C CG1 . VAL A 65  ? 0.23626 0.36973 0.25641 -0.01630 0.01377  -0.04173 62  VAL A CG1 
360  C CG2 . VAL A 65  ? 0.21544 0.30585 0.22646 -0.02836 0.00855  -0.02952 62  VAL A CG2 
361  N N   . LYS A 66  ? 0.20351 0.39560 0.23560 -0.04369 0.02193  -0.03014 63  LYS A N   
362  C CA  . LYS A 66  ? 0.19931 0.42722 0.23834 -0.04859 0.02883  -0.02972 63  LYS A CA  
363  C C   . LYS A 66  ? 0.21671 0.46254 0.25813 -0.03177 0.03307  -0.03860 63  LYS A C   
364  O O   . LYS A 66  ? 0.20573 0.43507 0.24570 -0.01607 0.02869  -0.04606 63  LYS A O   
365  C CB  . LYS A 66  ? 0.19332 0.44952 0.24787 -0.05473 0.02640  -0.02699 63  LYS A CB  
366  C CG  . LYS A 66  ? 0.20658 0.44928 0.25682 -0.07429 0.02290  -0.01968 63  LYS A CG  
367  C CD  . LYS A 66  ? 0.21204 0.48706 0.27885 -0.08280 0.01937  -0.01772 63  LYS A CD  
368  C CE  . LYS A 66  ? 0.27937 0.54037 0.34075 -0.10446 0.01546  -0.01198 63  LYS A CE  
369  N NZ  . LYS A 66  ? 0.30256 0.59903 0.38208 -0.11587 0.01138  -0.01020 63  LYS A NZ  
370  N N   . HIS A 67  ? 0.24295 0.52203 0.28697 -0.03545 0.04165  -0.03768 64  HIS A N   
371  C CA  . HIS A 67  ? 0.23533 0.53663 0.27948 -0.01852 0.04704  -0.04734 64  HIS A CA  
372  C C   . HIS A 67  ? 0.23420 0.58806 0.29188 -0.02231 0.05585  -0.04429 64  HIS A C   
373  O O   . HIS A 67  ? 0.24137 0.61074 0.30856 -0.04029 0.05662  -0.03412 64  HIS A O   
374  C CB  . HIS A 67  ? 0.24304 0.52493 0.26729 -0.01712 0.04999  -0.05012 64  HIS A CB  
375  C CG  . HIS A 67  ? 0.24544 0.52633 0.25932 -0.03688 0.05539  -0.03815 64  HIS A CG  
376  N ND1 . HIS A 67  ? 0.25130 0.56914 0.26712 -0.04574 0.06522  -0.03139 64  HIS A ND1 
377  C CD2 . HIS A 67  ? 0.26810 0.51517 0.26978 -0.04890 0.05213  -0.03082 64  HIS A CD2 
378  C CE1 . HIS A 67  ? 0.28745 0.59041 0.29176 -0.06316 0.06699  -0.01965 64  HIS A CE1 
379  N NE2 . HIS A 67  ? 0.26946 0.52932 0.26498 -0.06418 0.05894  -0.01992 64  HIS A NE2 
380  N N   . SER A 68  ? 0.22649 0.60888 0.28493 -0.00550 0.06248  -0.05349 65  SER A N   
381  C CA  . SER A 68  ? 0.25834 0.69555 0.33284 -0.00473 0.07070  -0.05145 65  SER A CA  
382  C C   . SER A 68  ? 0.26564 0.70967 0.33454 -0.02797 0.07555  -0.03585 65  SER A C   
383  O O   . SER A 68  ? 0.26878 0.74267 0.35075 -0.03421 0.07733  -0.02910 65  SER A O   
384  C CB  . SER A 68  ? 0.25979 0.71284 0.33027 0.02065  0.07404  -0.06482 65  SER A CB  
385  O OG  . SER A 68  ? 0.26959 0.71143 0.31795 0.02080  0.07897  -0.06640 65  SER A OG  
386  N N   . GLN A 69  ? 0.25776 0.67425 0.30799 -0.04017 0.07709  -0.02971 66  GLN A N   
387  C CA  . GLN A 69  ? 0.27179 0.68787 0.31590 -0.06106 0.08020  -0.01412 66  GLN A CA  
388  C C   . GLN A 69  ? 0.28535 0.67320 0.33029 -0.08302 0.07393  -0.00363 66  GLN A C   
389  O O   . GLN A 69  ? 0.30628 0.68305 0.34400 -0.10007 0.07468  0.00893  66  GLN A O   
390  C CB  . GLN A 69  ? 0.31594 0.72035 0.33744 -0.05843 0.08514  -0.01304 66  GLN A CB  
391  C CG  . GLN A 69  ? 0.32955 0.76126 0.34689 -0.03806 0.09101  -0.02308 66  GLN A CG  
392  C CD  . GLN A 69  ? 0.39716 0.82844 0.39464 -0.04084 0.09653  -0.01676 66  GLN A CD  
393  O OE1 . GLN A 69  ? 0.40015 0.80820 0.38630 -0.05667 0.09564  -0.00480 66  GLN A OE1 
394  N NE2 . GLN A 69  ? 0.39391 0.85079 0.38676 -0.02428 0.10176  -0.02485 66  GLN A NE2 
395  N N   . SER A 70  ? 0.27567 0.65045 0.32874 -0.08207 0.06716  -0.00872 67  SER A N   
396  C CA  . SER A 70  ? 0.25143 0.60166 0.30558 -0.10155 0.06007  -0.00050 67  SER A CA  
397  C C   . SER A 70  ? 0.24302 0.61369 0.30953 -0.11576 0.05878  0.00843  67  SER A C   
398  O O   . SER A 70  ? 0.29335 0.70198 0.37448 -0.10867 0.06157  0.00644  67  SER A O   
399  C CB  . SER A 70  ? 0.23542 0.57028 0.29620 -0.09505 0.05137  -0.00796 67  SER A CB  
400  O OG  . SER A 70  ? 0.23127 0.52692 0.27600 -0.08210 0.04793  -0.01417 67  SER A OG  
401  N N   . ARG A 71  ? 0.28878 0.63294 0.34925 -0.13527 0.05414  0.01783  68  ARG A N   
402  C CA  . ARG A 71  ? 0.33015 0.68945 0.40214 -0.15105 0.05191  0.02632  68  ARG A CA  
403  C C   . ARG A 71  ? 0.33405 0.72208 0.42672 -0.14730 0.04686  0.02065  68  ARG A C   
404  O O   . ARG A 71  ? 0.29377 0.71743 0.40142 -0.14998 0.04921  0.02418  68  ARG A O   
405  C CB  . ARG A 71  ? 0.42120 0.74019 0.48321 -0.17009 0.04507  0.03394  68  ARG A CB  
406  C CG  . ARG A 71  ? 0.51204 0.84255 0.58378 -0.18832 0.04357  0.04421  68  ARG A CG  
407  C CD  . ARG A 71  ? 0.59015 0.88684 0.65974 -0.20381 0.03242  0.04531  68  ARG A CD  
408  N NE  . ARG A 71  ? 0.65922 0.96626 0.73958 -0.22223 0.03034  0.05475  68  ARG A NE  
409  C CZ  . ARG A 71  ? 0.61402 0.95122 0.71413 -0.22812 0.02645  0.05368  68  ARG A CZ  
410  N NH1 . ARG A 71  ? 0.59732 0.95772 0.70836 -0.21598 0.02381  0.04382  68  ARG A NH1 
411  N NH2 . ARG A 71  ? 0.59987 0.94447 0.70978 -0.24672 0.02470  0.06323  68  ARG A NH2 
412  N N   . ARG A 72  ? 0.33115 0.70555 0.42520 -0.14100 0.03961  0.01255  69  ARG A N   
413  C CA  . ARG A 72  ? 0.34728 0.74847 0.45978 -0.13353 0.03367  0.00658  69  ARG A CA  
414  C C   . ARG A 72  ? 0.29941 0.70544 0.41329 -0.11078 0.03474  -0.00387 69  ARG A C   
415  O O   . ARG A 72  ? 0.29353 0.67361 0.40093 -0.10849 0.02906  -0.00799 69  ARG A O   
416  C CB  . ARG A 72  ? 0.35961 0.74011 0.47257 -0.14700 0.02169  0.00693  69  ARG A CB  
417  C CG  . ARG A 72  ? 0.45508 0.83674 0.57266 -0.16794 0.01835  0.01516  69  ARG A CG  
418  C CD  . ARG A 72  ? 0.56929 0.92145 0.68162 -0.17940 0.00573  0.01271  69  ARG A CD  
419  N NE  . ARG A 72  ? 0.54750 0.90445 0.66338 -0.16639 -0.00144 0.00377  69  ARG A NE  
420  C CZ  . ARG A 72  ? 0.57494 0.95892 0.70643 -0.16415 -0.00906 0.00089  69  ARG A CZ  
421  N NH1 . ARG A 72  ? 0.54965 0.95898 0.69625 -0.17532 -0.01060 0.00546  69  ARG A NH1 
422  N NH2 . ARG A 72  ? 0.55889 0.94517 0.69119 -0.15037 -0.01588 -0.00599 69  ARG A NH2 
423  N N   . PRO A 73  ? 0.25705 0.69456 0.37880 -0.09278 0.04166  -0.00873 70  PRO A N   
424  C CA  . PRO A 73  ? 0.24713 0.68546 0.36987 -0.06869 0.04223  -0.01998 70  PRO A CA  
425  C C   . PRO A 73  ? 0.25305 0.70446 0.39212 -0.05710 0.03253  -0.02507 70  PRO A C   
426  O O   . PRO A 73  ? 0.21487 0.69305 0.36640 -0.03661 0.03274  -0.03139 70  PRO A O   
427  C CB  . PRO A 73  ? 0.25664 0.72121 0.37917 -0.05374 0.05215  -0.02385 70  PRO A CB  
428  C CG  . PRO A 73  ? 0.20962 0.70316 0.34186 -0.06637 0.05456  -0.01505 70  PRO A CG  
429  C CD  . PRO A 73  ? 0.25601 0.72602 0.38338 -0.09321 0.04976  -0.00433 70  PRO A CD  
430  N N   . SER A 74  ? 0.21438 0.63672 0.34757 -0.06802 0.02235  -0.02204 71  SER A N   
431  C CA  . SER A 74  ? 0.21115 0.63831 0.35388 -0.06021 0.01086  -0.02417 71  SER A CA  
432  C C   . SER A 74  ? 0.24528 0.62285 0.36844 -0.06696 0.00259  -0.02261 71  SER A C   
433  O O   . SER A 74  ? 0.27019 0.62266 0.37997 -0.08440 0.00422  -0.01881 71  SER A O   
434  C CB  . SER A 74  ? 0.23387 0.69950 0.39525 -0.07226 0.00717  -0.01998 71  SER A CB  
435  O OG  . SER A 74  ? 0.24374 0.72549 0.41747 -0.05996 -0.00341 -0.02271 71  SER A OG  
436  N N   . SER A 75  ? 0.24445 0.60848 0.36541 -0.05208 -0.00606 -0.02498 72  SER A N   
437  C CA  . SER A 75  ? 0.24285 0.56645 0.34554 -0.05692 -0.01331 -0.02301 72  SER A CA  
438  C C   . SER A 75  ? 0.22908 0.55961 0.33652 -0.04478 -0.02429 -0.02296 72  SER A C   
439  O O   . SER A 75  ? 0.24168 0.60307 0.36615 -0.03030 -0.02651 -0.02467 72  SER A O   
440  C CB  . SER A 75  ? 0.26717 0.54752 0.35096 -0.04984 -0.00898 -0.02348 72  SER A CB  
441  O OG  . SER A 75  ? 0.24981 0.52161 0.33470 -0.02859 -0.01168 -0.02557 72  SER A OG  
442  N N   . TRP A 76  ? 0.25729 0.55905 0.34821 -0.04930 -0.03113 -0.02076 73  TRP A N   
443  C CA  . TRP A 76  ? 0.26349 0.56599 0.35331 -0.03662 -0.04140 -0.01881 73  TRP A CA  
444  C C   . TRP A 76  ? 0.26802 0.56106 0.36021 -0.01357 -0.04061 -0.01794 73  TRP A C   
445  O O   . TRP A 76  ? 0.26666 0.57171 0.36542 0.00043  -0.04889 -0.01571 73  TRP A O   
446  C CB  . TRP A 76  ? 0.29564 0.56627 0.36274 -0.04386 -0.04649 -0.01648 73  TRP A CB  
447  C CG  . TRP A 76  ? 0.30036 0.53020 0.34975 -0.03920 -0.04036 -0.01398 73  TRP A CG  
448  C CD1 . TRP A 76  ? 0.27689 0.48322 0.31574 -0.04933 -0.03251 -0.01511 73  TRP A CD1 
449  C CD2 . TRP A 76  ? 0.31585 0.52527 0.35766 -0.02391 -0.04212 -0.00872 73  TRP A CD2 
450  N NE1 . TRP A 76  ? 0.31001 0.48635 0.33687 -0.04125 -0.02935 -0.01168 73  TRP A NE1 
451  C CE2 . TRP A 76  ? 0.28988 0.46705 0.31861 -0.02682 -0.03488 -0.00730 73  TRP A CE2 
452  C CE3 . TRP A 76  ? 0.29974 0.51499 0.34518 -0.00836 -0.04966 -0.00384 73  TRP A CE3 
453  C CZ2 . TRP A 76  ? 0.30234 0.45507 0.32321 -0.01693 -0.03461 -0.00100 73  TRP A CZ2 
454  C CZ3 . TRP A 76  ? 0.32476 0.51159 0.36048 0.00172  -0.04941 0.00320  73  TRP A CZ3 
455  C CH2 . TRP A 76  ? 0.32161 0.47852 0.34604 -0.00364 -0.04173 0.00461  73  TRP A CH2 
456  N N   . ARG A 77  ? 0.25624 0.52737 0.34330 -0.00921 -0.03207 -0.01979 74  ARG A N   
457  C CA  . ARG A 77  ? 0.27779 0.53376 0.36612 0.01125  -0.03282 -0.02017 74  ARG A CA  
458  C C   . ARG A 77  ? 0.28622 0.57477 0.39405 0.02660  -0.03146 -0.02631 74  ARG A C   
459  O O   . ARG A 77  ? 0.28404 0.56673 0.39649 0.04673  -0.03638 -0.02696 74  ARG A O   
460  C CB  . ARG A 77  ? 0.26608 0.48615 0.34158 0.00967  -0.02597 -0.02116 74  ARG A CB  
461  C CG  . ARG A 77  ? 0.26989 0.46085 0.32749 -0.00431 -0.02485 -0.01608 74  ARG A CG  
462  C CD  . ARG A 77  ? 0.28125 0.43844 0.32978 -0.00139 -0.02084 -0.01556 74  ARG A CD  
463  N NE  . ARG A 77  ? 0.29485 0.43712 0.34643 0.01458  -0.02623 -0.01322 74  ARG A NE  
464  C CZ  . ARG A 77  ? 0.30640 0.43196 0.35987 0.02324  -0.02514 -0.01739 74  ARG A CZ  
465  N NH1 . ARG A 77  ? 0.31020 0.43310 0.36124 0.01813  -0.01847 -0.02395 74  ARG A NH1 
466  N NH2 . ARG A 77  ? 0.33061 0.44052 0.38762 0.03749  -0.03196 -0.01495 74  ARG A NH2 
467  N N   . GLN A 78  ? 0.23354 0.55580 0.35261 0.01817  -0.02460 -0.03045 75  GLN A N   
468  C CA  . GLN A 78  ? 0.23851 0.59300 0.37413 0.03381  -0.02000 -0.03742 75  GLN A CA  
469  C C   . GLN A 78  ? 0.21472 0.61830 0.36650 0.01991  -0.01498 -0.03728 75  GLN A C   
470  O O   . GLN A 78  ? 0.21969 0.61996 0.36471 -0.00100 -0.00879 -0.03480 75  GLN A O   
471  C CB  . GLN A 78  ? 0.25871 0.58898 0.38392 0.04018  -0.01198 -0.04358 75  GLN A CB  
472  C CG  . GLN A 78  ? 0.33847 0.68662 0.47361 0.06325  -0.00894 -0.05335 75  GLN A CG  
473  C CD  . GLN A 78  ? 0.34326 0.65990 0.46335 0.06748  -0.00353 -0.06022 75  GLN A CD  
474  O OE1 . GLN A 78  ? 0.30958 0.60055 0.41492 0.05084  -0.00032 -0.05661 75  GLN A OE1 
475  N NE2 . GLN A 78  ? 0.39786 0.71579 0.52119 0.09062  -0.00351 -0.07093 75  GLN A NE2 
476  N N   . GLU A 79  ? 0.18325 0.63268 0.35729 0.03079  -0.01818 -0.03882 76  GLU A N   
477  C CA  . GLU A 79  ? 0.17811 0.67869 0.37100 0.01467  -0.01428 -0.03677 76  GLU A CA  
478  C C   . GLU A 79  ? 0.18590 0.70478 0.38063 0.01068  0.00055  -0.03956 76  GLU A C   
479  O O   . GLU A 79  ? 0.21571 0.74187 0.40843 -0.01223 0.00596  -0.03376 76  GLU A O   
480  C CB  . GLU A 79  ? 0.18614 0.72637 0.39979 0.02799  -0.02075 -0.03689 76  GLU A CB  
481  C CG  . GLU A 79  ? 0.19292 0.76233 0.41622 0.00682  -0.01869 -0.03175 76  GLU A CG  
482  C CD  . GLU A 79  ? 0.20602 0.80824 0.44720 0.01836  -0.02591 -0.03114 76  GLU A CD  
483  O OE1 . GLU A 79  ? 0.21115 0.81084 0.45549 0.04397  -0.03210 -0.03439 76  GLU A OE1 
484  O OE2 . GLU A 79  ? 0.21381 0.84259 0.46600 0.00201  -0.02610 -0.02695 76  GLU A OE2 
485  N N   . LYS A 80  ? 0.18047 0.69343 0.37147 0.03299  0.00640  -0.04760 77  LYS A N   
486  C CA  . LYS A 80  ? 0.22151 0.74501 0.40698 0.03240  0.02017  -0.05114 77  LYS A CA  
487  C C   . LYS A 80  ? 0.21653 0.69070 0.37914 0.04015  0.02194  -0.05686 77  LYS A C   
488  O O   . LYS A 80  ? 0.23621 0.68933 0.39489 0.06364  0.01744  -0.06498 77  LYS A O   
489  C CB  . LYS A 80  ? 0.20598 0.76168 0.40119 0.05247  0.02457  -0.05679 77  LYS A CB  
490  C CG  . LYS A 80  ? 0.21235 0.77856 0.39763 0.05271  0.03788  -0.05988 77  LYS A CG  
491  C CD  . LYS A 80  ? 0.25572 0.85477 0.45040 0.07436  0.04124  -0.06633 77  LYS A CD  
492  C CE  . LYS A 80  ? 0.35481 0.96828 0.53837 0.07455  0.05392  -0.06869 77  LYS A CE  
493  N NZ  . LYS A 80  ? 0.38542 1.01849 0.56999 0.04563  0.06067  -0.05509 77  LYS A NZ  
494  N N   . ILE A 81  ? 0.21693 0.66796 0.36315 0.02022  0.02719  -0.05215 78  ILE A N   
495  C CA  . ILE A 81  ? 0.18666 0.58995 0.31041 0.02483  0.02791  -0.05647 78  ILE A CA  
496  C C   . ILE A 81  ? 0.25853 0.68072 0.37769 0.03526  0.03874  -0.06457 78  ILE A C   
497  O O   . ILE A 81  ? 0.21929 0.67270 0.34013 0.02227  0.04886  -0.05992 78  ILE A O   
498  C CB  . ILE A 81  ? 0.25391 0.62197 0.36170 0.00115  0.02697  -0.04771 78  ILE A CB  
499  C CG1 . ILE A 81  ? 0.25900 0.60710 0.36813 -0.00391 0.01584  -0.04243 78  ILE A CG1 
500  C CG2 . ILE A 81  ? 0.24072 0.56837 0.32820 0.00535  0.02853  -0.05186 78  ILE A CG2 
501  C CD1 . ILE A 81  ? 0.27385 0.58725 0.36755 -0.02320 0.01381  -0.03555 78  ILE A CD1 
502  N N   . THR A 82  ? 0.24034 0.64357 0.35305 0.05885  0.03609  -0.07659 79  THR A N   
503  C CA  . THR A 82  ? 0.22608 0.64881 0.33378 0.07529  0.04457  -0.08836 79  THR A CA  
504  C C   . THR A 82  ? 0.26324 0.64346 0.34687 0.07640  0.04411  -0.09470 79  THR A C   
505  O O   . THR A 82  ? 0.29514 0.69012 0.36934 0.08669  0.05150  -0.10429 79  THR A O   
506  C CB  . THR A 82  ? 0.28203 0.71958 0.40215 0.10578  0.04053  -0.10082 79  THR A CB  
507  O OG1 . THR A 82  ? 0.34600 0.73474 0.46266 0.11451  0.02683  -0.10219 79  THR A OG1 
508  C CG2 . THR A 82  ? 0.23449 0.72137 0.37758 0.10546  0.04185  -0.09460 79  THR A CG2 
509  N N   . ARG A 83  ? 0.30048 0.63146 0.37408 0.06695  0.03548  -0.09002 80  ARG A N   
510  C CA  . ARG A 83  ? 0.28731 0.57978 0.34119 0.06839  0.03320  -0.09632 80  ARG A CA  
511  C C   . ARG A 83  ? 0.30361 0.61133 0.34422 0.05510  0.04346  -0.09307 80  ARG A C   
512  O O   . ARG A 83  ? 0.23661 0.56853 0.28148 0.03719  0.05029  -0.08105 80  ARG A O   
513  C CB  . ARG A 83  ? 0.27565 0.51971 0.32447 0.05827  0.02328  -0.08912 80  ARG A CB  
514  C CG  . ARG A 83  ? 0.26878 0.50716 0.31393 0.03344  0.02559  -0.07457 80  ARG A CG  
515  C CD  . ARG A 83  ? 0.25513 0.44939 0.29467 0.02704  0.01702  -0.06899 80  ARG A CD  
516  N NE  . ARG A 83  ? 0.29576 0.48103 0.34567 0.03436  0.00901  -0.06640 80  ARG A NE  
517  C CZ  . ARG A 83  ? 0.29108 0.48303 0.34710 0.02479  0.00717  -0.05669 80  ARG A CZ  
518  N NH1 . ARG A 83  ? 0.23598 0.44265 0.29053 0.00728  0.01227  -0.04973 80  ARG A NH1 
519  N NH2 . ARG A 83  ? 0.31641 0.49796 0.37879 0.03289  -0.00090 -0.05381 80  ARG A NH2 
520  N N   . THR A 84  ? 0.28619 0.58021 0.31019 0.06436  0.04381  -0.10397 81  THR A N   
521  C CA  . THR A 84  ? 0.26202 0.56867 0.27051 0.05305  0.05255  -0.09996 81  THR A CA  
522  C C   . THR A 84  ? 0.27207 0.54477 0.27181 0.03195  0.04863  -0.08745 81  THR A C   
523  O O   . THR A 84  ? 0.24562 0.48305 0.24844 0.02910  0.03924  -0.08528 81  THR A O   
524  C CB  . THR A 84  ? 0.28937 0.59438 0.28049 0.07069  0.05323  -0.11676 81  THR A CB  
525  O OG1 . THR A 84  ? 0.28731 0.54276 0.26841 0.07313  0.04108  -0.12362 81  THR A OG1 
526  C CG2 . THR A 84  ? 0.32241 0.65385 0.32214 0.09615  0.05512  -0.13201 81  THR A CG2 
527  N N   . LYS A 85  ? 0.25630 0.54145 0.24511 0.01761  0.05629  -0.07815 82  LYS A N   
528  C CA  . LYS A 85  ? 0.27773 0.53068 0.25659 0.00080  0.05251  -0.06750 82  LYS A CA  
529  C C   . LYS A 85  ? 0.27111 0.48588 0.23934 0.00861  0.04285  -0.07660 82  LYS A C   
530  O O   . LYS A 85  ? 0.28321 0.46660 0.25217 0.00018  0.03607  -0.07062 82  LYS A O   
531  C CB  . LYS A 85  ? 0.30905 0.57954 0.27517 -0.01243 0.06144  -0.05678 82  LYS A CB  
532  C CG  . LYS A 85  ? 0.34128 0.57829 0.29684 -0.02726 0.05707  -0.04594 82  LYS A CG  
533  C CD  . LYS A 85  ? 0.39949 0.65065 0.33965 -0.03743 0.06471  -0.03538 82  LYS A CD  
534  C CE  . LYS A 85  ? 0.41233 0.69585 0.36259 -0.05091 0.07380  -0.02307 82  LYS A CE  
535  N NZ  . LYS A 85  ? 0.41355 0.70951 0.35123 -0.05846 0.07983  -0.01140 82  LYS A NZ  
536  N N   . GLU A 86  ? 0.31691 0.53532 0.27558 0.02472  0.04184  -0.09160 83  GLU A N   
537  C CA  . GLU A 86  ? 0.28215 0.46514 0.23193 0.03088  0.03103  -0.10146 83  GLU A CA  
538  C C   . GLU A 86  ? 0.26729 0.42160 0.23156 0.03541  0.02099  -0.10416 83  GLU A C   
539  O O   . GLU A 86  ? 0.26955 0.39138 0.23333 0.02953  0.01239  -0.10187 83  GLU A O   
540  C CB  . GLU A 86  ? 0.33149 0.52516 0.26670 0.04810  0.03118  -0.11934 83  GLU A CB  
541  C CG  . GLU A 86  ? 0.43678 0.65848 0.35308 0.04411  0.04086  -0.11581 83  GLU A CG  
542  C CD  . GLU A 86  ? 0.52628 0.79320 0.44825 0.03872  0.05563  -0.10478 83  GLU A CD  
543  O OE1 . GLU A 86  ? 0.38516 0.67491 0.32307 0.04714  0.05973  -0.10826 83  GLU A OE1 
544  O OE2 . GLU A 86  ? 0.60620 0.88680 0.51700 0.02545  0.06275  -0.09155 83  GLU A OE2 
545  N N   . GLU A 87  ? 0.28504 0.45320 0.26304 0.04562  0.02203  -0.10744 84  GLU A N   
546  C CA  . GLU A 87  ? 0.26148 0.40346 0.25242 0.04982  0.01264  -0.10704 84  GLU A CA  
547  C C   . GLU A 87  ? 0.30538 0.43575 0.30309 0.03220  0.01197  -0.09006 84  GLU A C   
548  O O   . GLU A 87  ? 0.28195 0.38210 0.28355 0.02972  0.00387  -0.08646 84  GLU A O   
549  C CB  . GLU A 87  ? 0.30364 0.46654 0.30703 0.06687  0.01363  -0.11401 84  GLU A CB  
550  C CG  . GLU A 87  ? 0.33797 0.50466 0.33405 0.08889  0.01212  -0.13399 84  GLU A CG  
551  C CD  . GLU A 87  ? 0.37602 0.57167 0.38451 0.10841  0.01510  -0.14144 84  GLU A CD  
552  O OE1 . GLU A 87  ? 0.32635 0.55122 0.34887 0.10272  0.02086  -0.13052 84  GLU A OE1 
553  O OE2 . GLU A 87  ? 0.40963 0.59927 0.41387 0.13023  0.01097  -0.15921 84  GLU A OE2 
554  N N   . ALA A 88  ? 0.24225 0.39615 0.24092 0.01964  0.02029  -0.07947 85  ALA A N   
555  C CA  . ALA A 88  ? 0.23748 0.37880 0.23913 0.00384  0.01939  -0.06566 85  ALA A CA  
556  C C   . ALA A 88  ? 0.23544 0.34851 0.22701 -0.00460 0.01593  -0.06180 85  ALA A C   
557  O O   . ALA A 88  ? 0.23875 0.33032 0.23361 -0.01024 0.01138  -0.05501 85  ALA A O   
558  C CB  . ALA A 88  ? 0.23110 0.40004 0.23456 -0.00868 0.02762  -0.05664 85  ALA A CB  
559  N N   . LEU A 89  ? 0.25023 0.36590 0.22938 -0.00484 0.01809  -0.06572 86  LEU A N   
560  C CA  . LEU A 89  ? 0.22392 0.31654 0.19492 -0.01161 0.01382  -0.06235 86  LEU A CA  
561  C C   . LEU A 89  ? 0.26230 0.32836 0.23877 -0.00585 0.00377  -0.06804 86  LEU A C   
562  O O   . LEU A 89  ? 0.27037 0.31769 0.24935 -0.01335 -0.00017 -0.06083 86  LEU A O   
563  C CB  . LEU A 89  ? 0.24920 0.35211 0.20459 -0.01120 0.01675  -0.06599 86  LEU A CB  
564  C CG  . LEU A 89  ? 0.22669 0.30955 0.17428 -0.01728 0.01132  -0.06234 86  LEU A CG  
565  C CD1 . LEU A 89  ? 0.25987 0.33393 0.21015 -0.02962 0.01339  -0.04773 86  LEU A CD1 
566  C CD2 . LEU A 89  ? 0.27820 0.37352 0.20831 -0.01541 0.01338  -0.06584 86  LEU A CD2 
567  N N   . GLU A 90  ? 0.23543 0.29961 0.21439 0.00752  -0.00060 -0.08064 87  GLU A N   
568  C CA  . GLU A 90  ? 0.28061 0.31576 0.26584 0.01133  -0.01144 -0.08496 87  GLU A CA  
569  C C   . GLU A 90  ? 0.28010 0.30354 0.27782 0.00647  -0.01322 -0.07317 87  GLU A C   
570  O O   . GLU A 90  ? 0.29252 0.29392 0.29515 0.00064  -0.01943 -0.06768 87  GLU A O   
571  C CB  . GLU A 90  ? 0.35027 0.38183 0.33475 0.02818  -0.01668 -0.10169 87  GLU A CB  
572  C CG  . GLU A 90  ? 0.42941 0.46508 0.39881 0.03407  -0.01819 -0.11585 87  GLU A CG  
573  C CD  . GLU A 90  ? 0.60934 0.63423 0.57677 0.05228  -0.02559 -0.13493 87  GLU A CD  
574  O OE1 . GLU A 90  ? 0.66169 0.66823 0.64099 0.05867  -0.03176 -0.13541 87  GLU A OE1 
575  O OE2 . GLU A 90  ? 0.64771 0.68163 0.60036 0.06118  -0.02559 -0.14955 87  GLU A OE2 
576  N N   . LEU A 91  ? 0.25074 0.29128 0.25372 0.00827  -0.00795 -0.06854 88  LEU A N   
577  C CA  . LEU A 91  ? 0.26725 0.29913 0.27873 0.00389  -0.00969 -0.05711 88  LEU A CA  
578  C C   . LEU A 91  ? 0.22485 0.25042 0.23308 -0.01011 -0.00713 -0.04569 88  LEU A C   
579  O O   . LEU A 91  ? 0.23757 0.24650 0.25026 -0.01402 -0.01084 -0.03783 88  LEU A O   
580  C CB  . LEU A 91  ? 0.24829 0.30342 0.26515 0.00752  -0.00547 -0.05496 88  LEU A CB  
581  C CG  . LEU A 91  ? 0.28350 0.34335 0.30734 0.02445  -0.00941 -0.06429 88  LEU A CG  
582  C CD1 . LEU A 91  ? 0.30843 0.40213 0.33854 0.02746  -0.00389 -0.06360 88  LEU A CD1 
583  C CD2 . LEU A 91  ? 0.30427 0.33733 0.33469 0.02911  -0.01852 -0.05945 88  LEU A CD2 
584  N N   . ILE A 92  ? 0.22932 0.26845 0.22961 -0.01715 -0.00062 -0.04405 89  ILE A N   
585  C CA  . ILE A 92  ? 0.24477 0.27744 0.24070 -0.02797 0.00177  -0.03462 89  ILE A CA  
586  C C   . ILE A 92  ? 0.22216 0.23729 0.21897 -0.02974 -0.00343 -0.03392 89  ILE A C   
587  O O   . ILE A 92  ? 0.24201 0.24800 0.24220 -0.03484 -0.00403 -0.02544 89  ILE A O   
588  C CB  . ILE A 92  ? 0.25117 0.29789 0.23761 -0.03399 0.00824  -0.03341 89  ILE A CB  
589  C CG1 . ILE A 92  ? 0.22967 0.29309 0.21823 -0.03743 0.01279  -0.03041 89  ILE A CG1 
590  C CG2 . ILE A 92  ? 0.27512 0.31064 0.25547 -0.04159 0.00890  -0.02617 89  ILE A CG2 
591  C CD1 . ILE A 92  ? 0.24681 0.30132 0.23532 -0.04452 0.01270  -0.02217 89  ILE A CD1 
592  N N   . ASN A 93  ? 0.24570 0.25847 0.23956 -0.02554 -0.00739 -0.04321 90  ASN A N   
593  C CA  . ASN A 93  ? 0.23696 0.23511 0.23354 -0.02842 -0.01429 -0.04362 90  ASN A CA  
594  C C   . ASN A 93  ? 0.27484 0.25639 0.28407 -0.02926 -0.02024 -0.03902 90  ASN A C   
595  O O   . ASN A 93  ? 0.28329 0.25795 0.29890 -0.03631 -0.02244 -0.03111 90  ASN A O   
596  C CB  . ASN A 93  ? 0.28063 0.27865 0.27027 -0.02270 -0.01934 -0.05702 90  ASN A CB  
597  C CG  . ASN A 93  ? 0.26123 0.27490 0.23681 -0.02401 -0.01415 -0.05807 90  ASN A CG  
598  O OD1 . ASN A 93  ? 0.33553 0.35352 0.30805 -0.03092 -0.00942 -0.04801 90  ASN A OD1 
599  N ND2 . ASN A 93  ? 0.32393 0.34478 0.28957 -0.01659 -0.01562 -0.07033 90  ASN A ND2 
600  N N   . GLY A 94  ? 0.27664 0.25306 0.29024 -0.02192 -0.02280 -0.04262 91  GLY A N   
601  C CA  . GLY A 94  ? 0.29919 0.25785 0.32368 -0.02298 -0.02874 -0.03580 91  GLY A CA  
602  C C   . GLY A 94  ? 0.26471 0.22752 0.29224 -0.02936 -0.02345 -0.02051 91  GLY A C   
603  O O   . GLY A 94  ? 0.28518 0.23754 0.32072 -0.03516 -0.02632 -0.01067 91  GLY A O   
604  N N   . TYR A 95  ? 0.22820 0.20707 0.24910 -0.02877 -0.01587 -0.01833 92  TYR A N   
605  C CA  . TYR A 95  ? 0.22291 0.20555 0.24311 -0.03378 -0.01123 -0.00629 92  TYR A CA  
606  C C   . TYR A 95  ? 0.23929 0.22205 0.25916 -0.04113 -0.00861 -0.00071 92  TYR A C   
607  O O   . TYR A 95  ? 0.25928 0.23982 0.28367 -0.04477 -0.00763 0.00962  92  TYR A O   
608  C CB  . TYR A 95  ? 0.22464 0.22250 0.23733 -0.03272 -0.00561 -0.00725 92  TYR A CB  
609  C CG  . TYR A 95  ? 0.22373 0.22789 0.23927 -0.02499 -0.00792 -0.01097 92  TYR A CG  
610  C CD1 . TYR A 95  ? 0.25638 0.24974 0.27863 -0.01933 -0.01376 -0.00704 92  TYR A CD1 
611  C CD2 . TYR A 95  ? 0.22563 0.24787 0.23825 -0.02346 -0.00451 -0.01705 92  TYR A CD2 
612  C CE1 . TYR A 95  ? 0.26497 0.26515 0.29055 -0.00992 -0.01667 -0.01027 92  TYR A CE1 
613  C CE2 . TYR A 95  ? 0.22006 0.25333 0.23795 -0.01532 -0.00670 -0.02033 92  TYR A CE2 
614  C CZ  . TYR A 95  ? 0.26494 0.28705 0.28904 -0.00746 -0.01298 -0.01741 92  TYR A CZ  
615  O OH  . TYR A 95  ? 0.27222 0.30600 0.30220 0.00289  -0.01595 -0.02055 92  TYR A OH  
616  N N   . ILE A 96  ? 0.23489 0.22223 0.24952 -0.04250 -0.00740 -0.00677 93  ILE A N   
617  C CA  . ILE A 96  ? 0.22869 0.21753 0.24400 -0.04734 -0.00598 -0.00192 93  ILE A CA  
618  C C   . ILE A 96  ? 0.25290 0.23459 0.28139 -0.05116 -0.01192 0.00240  93  ILE A C   
619  O O   . ILE A 96  ? 0.24547 0.23156 0.28005 -0.05512 -0.00956 0.01182  93  ILE A O   
620  C CB  . ILE A 96  ? 0.20809 0.20191 0.21468 -0.04714 -0.00540 -0.00848 93  ILE A CB  
621  C CG1 . ILE A 96  ? 0.23367 0.23415 0.22883 -0.04695 0.00116  -0.00844 93  ILE A CG1 
622  C CG2 . ILE A 96  ? 0.24159 0.23690 0.25135 -0.05022 -0.00673 -0.00426 93  ILE A CG2 
623  C CD1 . ILE A 96  ? 0.26831 0.27355 0.25343 -0.04737 0.00207  -0.01263 93  ILE A CD1 
624  N N   . GLN A 97  ? 0.25650 0.22738 0.29027 -0.05008 -0.01989 -0.00433 94  GLN A N   
625  C CA  . GLN A 97  ? 0.23604 0.19720 0.28389 -0.05634 -0.02735 0.00011  94  GLN A CA  
626  C C   . GLN A 97  ? 0.27399 0.23331 0.33025 -0.06014 -0.02485 0.01480  94  GLN A C   
627  O O   . GLN A 97  ? 0.26255 0.22633 0.33005 -0.06781 -0.02486 0.02511  94  GLN A O   
628  C CB  . GLN A 97  ? 0.30544 0.24978 0.35540 -0.05352 -0.03771 -0.01141 94  GLN A CB  
629  C CG  . GLN A 97  ? 0.34236 0.28927 0.38545 -0.05183 -0.04223 -0.02479 94  GLN A CG  
630  C CD  . GLN A 97  ? 0.41521 0.34415 0.45790 -0.04705 -0.05292 -0.03875 94  GLN A CD  
631  O OE1 . GLN A 97  ? 0.45472 0.37258 0.49735 -0.04014 -0.05419 -0.04150 94  GLN A OE1 
632  N NE2 . GLN A 97  ? 0.46897 0.39439 0.51102 -0.04970 -0.06163 -0.04822 94  GLN A NE2 
633  N N   . LYS A 98  ? 0.26559 0.22088 0.31696 -0.05471 -0.02289 0.01665  95  LYS A N   
634  C CA  . LYS A 98  ? 0.27569 0.22927 0.33190 -0.05730 -0.02095 0.03148  95  LYS A CA  
635  C C   . LYS A 98  ? 0.26408 0.23568 0.31611 -0.05936 -0.01103 0.04095  95  LYS A C   
636  O O   . LYS A 98  ? 0.26646 0.24260 0.32543 -0.06446 -0.00850 0.05481  95  LYS A O   
637  C CB  . LYS A 98  ? 0.32791 0.27476 0.37830 -0.04910 -0.02239 0.03032  95  LYS A CB  
638  C CG  . LYS A 98  ? 0.38888 0.31497 0.44485 -0.04494 -0.03289 0.02221  95  LYS A CG  
639  C CD  . LYS A 98  ? 0.48820 0.40603 0.54261 -0.03662 -0.03573 0.02606  95  LYS A CD  
640  C CE  . LYS A 98  ? 0.53666 0.42736 0.59852 -0.03273 -0.04755 0.02126  95  LYS A CE  
641  N NZ  . LYS A 98  ? 0.62591 0.50632 0.68735 -0.02345 -0.05154 0.02749  95  LYS A NZ  
642  N N   . ILE A 99  ? 0.24837 0.23014 0.28877 -0.05530 -0.00534 0.03392  96  ILE A N   
643  C CA  . ILE A 99  ? 0.22577 0.22110 0.26048 -0.05516 0.00309  0.04019  96  ILE A CA  
644  C C   . ILE A 99  ? 0.22818 0.23185 0.27390 -0.05995 0.00394  0.04520  96  ILE A C   
645  O O   . ILE A 99  ? 0.23587 0.25132 0.28593 -0.06144 0.00943  0.05611  96  ILE A O   
646  C CB  . ILE A 99  ? 0.25982 0.25866 0.27971 -0.05057 0.00701  0.03101  96  ILE A CB  
647  C CG1 . ILE A 99  ? 0.25376 0.25044 0.26591 -0.04698 0.00622  0.02803  96  ILE A CG1 
648  C CG2 . ILE A 99  ? 0.25474 0.26272 0.26801 -0.04891 0.01413  0.03468  96  ILE A CG2 
649  C CD1 . ILE A 99  ? 0.26778 0.26723 0.26943 -0.04547 0.00779  0.01849  96  ILE A CD1 
650  N N   . LYS A 100 ? 0.21675 0.21746 0.26742 -0.06194 -0.00161 0.03746  97  LYS A N   
651  C CA  . LYS A 100 ? 0.24862 0.26043 0.31142 -0.06626 -0.00237 0.04172  97  LYS A CA  
652  C C   . LYS A 100 ? 0.24669 0.25999 0.32871 -0.07547 -0.00624 0.05287  97  LYS A C   
653  O O   . LYS A 100 ? 0.23297 0.26358 0.32746 -0.07944 -0.00345 0.06171  97  LYS A O   
654  C CB  . LYS A 100 ? 0.21472 0.22349 0.27632 -0.06607 -0.00899 0.03060  97  LYS A CB  
655  C CG  . LYS A 100 ? 0.22304 0.23451 0.26866 -0.05931 -0.00448 0.02423  97  LYS A CG  
656  C CD  . LYS A 100 ? 0.24307 0.25669 0.28939 -0.05979 -0.01087 0.01782  97  LYS A CD  
657  C CE  . LYS A 100 ? 0.26262 0.27853 0.29416 -0.05392 -0.00656 0.01532  97  LYS A CE  
658  N NZ  . LYS A 100 ? 0.25293 0.27427 0.28497 -0.05344 -0.01274 0.01236  97  LYS A NZ  
659  N N   . SER A 101 ? 0.24599 0.24188 0.33203 -0.07910 -0.01305 0.05325  98  SER A N   
660  C CA  . SER A 101 ? 0.24005 0.23305 0.34413 -0.08973 -0.01743 0.06603  98  SER A CA  
661  C C   . SER A 101 ? 0.23990 0.24338 0.34376 -0.09049 -0.00838 0.08295  98  SER A C   
662  O O   . SER A 101 ? 0.28555 0.29302 0.40513 -0.10068 -0.00934 0.09778  98  SER A O   
663  C CB  . SER A 101 ? 0.27664 0.24199 0.38386 -0.09225 -0.02918 0.06061  98  SER A CB  
664  O OG  . SER A 101 ? 0.29626 0.25045 0.39174 -0.08465 -0.02709 0.06144  98  SER A OG  
665  N N   . GLY A 102 ? 0.26929 0.27813 0.35532 -0.08073 -0.00006 0.08132  99  GLY A N   
666  C CA  . GLY A 102 ? 0.30095 0.31866 0.38180 -0.07960 0.00760  0.09550  99  GLY A CA  
667  C C   . GLY A 102 ? 0.28267 0.28178 0.36182 -0.08062 0.00216  0.10210  99  GLY A C   
668  O O   . GLY A 102 ? 0.35202 0.35810 0.42533 -0.07978 0.00759  0.11562  99  GLY A O   
669  N N   . GLU A 103 ? 0.28529 0.26112 0.36795 -0.08087 -0.00863 0.09285  100 GLU A N   
670  C CA  . GLU A 103 ? 0.32512 0.28102 0.40530 -0.07849 -0.01476 0.09777  100 GLU A CA  
671  C C   . GLU A 103 ? 0.34029 0.30229 0.40187 -0.06723 -0.00981 0.09531  100 GLU A C   
672  O O   . GLU A 103 ? 0.34773 0.30439 0.40499 -0.06498 -0.01096 0.10659  100 GLU A O   
673  C CB  . GLU A 103 ? 0.37442 0.30479 0.45998 -0.07717 -0.02714 0.08419  100 GLU A CB  
674  C CG  . GLU A 103 ? 0.45376 0.36987 0.55819 -0.08992 -0.03634 0.08854  100 GLU A CG  
675  C CD  . GLU A 103 ? 0.51913 0.41287 0.62527 -0.08693 -0.04834 0.06933  100 GLU A CD  
676  O OE1 . GLU A 103 ? 0.54054 0.44336 0.63822 -0.08027 -0.04653 0.05272  100 GLU A OE1 
677  O OE2 . GLU A 103 ? 0.62261 0.48881 0.73743 -0.09101 -0.05983 0.07095  100 GLU A OE2 
678  N N   . GLU A 104 ? 0.31389 0.28677 0.36448 -0.06086 -0.00526 0.08155  101 GLU A N   
679  C CA  . GLU A 104 ? 0.34397 0.32447 0.37818 -0.05240 -0.00154 0.07796  101 GLU A CA  
680  C C   . GLU A 104 ? 0.32561 0.32329 0.34997 -0.05110 0.00728  0.07324  101 GLU A C   
681  O O   . GLU A 104 ? 0.31027 0.31196 0.33973 -0.05395 0.00926  0.06829  101 GLU A O   
682  C CB  . GLU A 104 ? 0.34920 0.32111 0.38011 -0.04534 -0.00752 0.06333  101 GLU A CB  
683  C CG  . GLU A 104 ? 0.38833 0.34003 0.42867 -0.04337 -0.01734 0.06374  101 GLU A CG  
684  C CD  . GLU A 104 ? 0.46708 0.41406 0.50373 -0.03824 -0.02043 0.07490  101 GLU A CD  
685  O OE1 . GLU A 104 ? 0.49505 0.45720 0.52002 -0.03559 -0.01524 0.07970  101 GLU A OE1 
686  O OE2 . GLU A 104 ? 0.54357 0.47016 0.58801 -0.03634 -0.02904 0.07855  101 GLU A OE2 
687  N N   . ASP A 105 ? 0.29038 0.29665 0.29974 -0.04594 0.01126  0.07401  102 ASP A N   
688  C CA  . ASP A 105 ? 0.32728 0.34479 0.32391 -0.04297 0.01806  0.06754  102 ASP A CA  
689  C C   . ASP A 105 ? 0.26928 0.28268 0.25847 -0.04037 0.01512  0.05234  102 ASP A C   
690  O O   . ASP A 105 ? 0.30116 0.31067 0.29054 -0.03840 0.00962  0.04905  102 ASP A O   
691  C CB  . ASP A 105 ? 0.39807 0.42655 0.38093 -0.03925 0.02294  0.07644  102 ASP A CB  
692  C CG  . ASP A 105 ? 0.50139 0.53794 0.46864 -0.03458 0.02872  0.06827  102 ASP A CG  
693  O OD1 . ASP A 105 ? 0.56485 0.60710 0.53516 -0.03426 0.03434  0.06742  102 ASP A OD1 
694  O OD2 . ASP A 105 ? 0.54155 0.57831 0.49375 -0.03081 0.02664  0.06228  102 ASP A OD2 
695  N N   . PHE A 106 ? 0.25742 0.27248 0.24123 -0.04034 0.01863  0.04403  103 PHE A N   
696  C CA  . PHE A 106 ? 0.28061 0.29240 0.25761 -0.04030 0.01645  0.03195  103 PHE A CA  
697  C C   . PHE A 106 ? 0.30014 0.31572 0.26688 -0.03826 0.01399  0.02981  103 PHE A C   
698  O O   . PHE A 106 ? 0.26231 0.27894 0.23212 -0.03868 0.00942  0.02455  103 PHE A O   
699  C CB  . PHE A 106 ? 0.27730 0.28743 0.24684 -0.04023 0.02049  0.02634  103 PHE A CB  
700  C CG  . PHE A 106 ? 0.30357 0.30893 0.26627 -0.04271 0.01837  0.01652  103 PHE A CG  
701  C CD1 . PHE A 106 ? 0.35810 0.36318 0.30841 -0.04304 0.01735  0.01194  103 PHE A CD1 
702  C CD2 . PHE A 106 ? 0.35491 0.35701 0.32314 -0.04564 0.01707  0.01248  103 PHE A CD2 
703  C CE1 . PHE A 106 ? 0.33567 0.33724 0.28224 -0.04814 0.01502  0.00472  103 PHE A CE1 
704  C CE2 . PHE A 106 ? 0.37261 0.37263 0.33514 -0.04948 0.01602  0.00614  103 PHE A CE2 
705  C CZ  . PHE A 106 ? 0.33014 0.32986 0.28322 -0.05160 0.01504  0.00292  103 PHE A CZ  
706  N N   . GLU A 107 ? 0.30368 0.32408 0.25801 -0.03538 0.01681  0.03341  104 GLU A N   
707  C CA  . GLU A 107 ? 0.31310 0.33818 0.25557 -0.03369 0.01308  0.03012  104 GLU A CA  
708  C C   . GLU A 107 ? 0.28897 0.31776 0.23866 -0.03183 0.00722  0.03577  104 GLU A C   
709  O O   . GLU A 107 ? 0.30873 0.34301 0.25674 -0.03146 0.00170  0.03035  104 GLU A O   
710  C CB  . GLU A 107 ? 0.34371 0.37380 0.26909 -0.02928 0.01703  0.03284  104 GLU A CB  
711  C CG  . GLU A 107 ? 0.39070 0.41545 0.30613 -0.02805 0.02155  0.02470  104 GLU A CG  
712  C CD  . GLU A 107 ? 0.50497 0.53273 0.42635 -0.02513 0.02929  0.03147  104 GLU A CD  
713  O OE1 . GLU A 107 ? 0.42793 0.45710 0.36664 -0.02838 0.02982  0.03922  104 GLU A OE1 
714  O OE2 . GLU A 107 ? 0.53005 0.55943 0.43904 -0.01915 0.03429  0.02817  104 GLU A OE2 
715  N N   . SER A 108 ? 0.29764 0.32367 0.25611 -0.03063 0.00762  0.04725  105 SER A N   
716  C CA  . SER A 108 ? 0.33095 0.35552 0.29636 -0.02731 0.00106  0.05346  105 SER A CA  
717  C C   . SER A 108 ? 0.29543 0.31705 0.27273 -0.02660 -0.00387 0.04370  105 SER A C   
718  O O   . SER A 108 ? 0.28566 0.31287 0.26488 -0.02192 -0.00971 0.04172  105 SER A O   
719  C CB  . SER A 108 ? 0.41271 0.42994 0.38625 -0.02826 0.00191  0.06832  105 SER A CB  
720  O OG  . SER A 108 ? 0.43571 0.44332 0.41960 -0.02503 -0.00575 0.07196  105 SER A OG  
721  N N   . LEU A 109 ? 0.26794 0.28349 0.25302 -0.03015 -0.00157 0.03751  106 LEU A N   
722  C CA  . LEU A 109 ? 0.25414 0.27008 0.24802 -0.02838 -0.00501 0.02770  106 LEU A CA  
723  C C   . LEU A 109 ? 0.23897 0.26826 0.22754 -0.03004 -0.00467 0.01861  106 LEU A C   
724  O O   . LEU A 109 ? 0.29529 0.33394 0.29034 -0.02656 -0.00818 0.01327  106 LEU A O   
725  C CB  . LEU A 109 ? 0.25053 0.25797 0.25129 -0.03163 -0.00319 0.02337  106 LEU A CB  
726  C CG  . LEU A 109 ? 0.23402 0.22783 0.24389 -0.03209 -0.00580 0.03109  106 LEU A CG  
727  C CD1 . LEU A 109 ? 0.24060 0.22839 0.25642 -0.03576 -0.00565 0.02474  106 LEU A CD1 
728  C CD2 . LEU A 109 ? 0.26450 0.25014 0.28125 -0.02543 -0.01308 0.03292  106 LEU A CD2 
729  N N   . ALA A 110 ? 0.22816 0.25872 0.20596 -0.03537 -0.00077 0.01658  107 ALA A N   
730  C CA  . ALA A 110 ? 0.24305 0.28342 0.21661 -0.03966 -0.00181 0.00875  107 ALA A CA  
731  C C   . ALA A 110 ? 0.29019 0.34329 0.26240 -0.03663 -0.00772 0.00958  107 ALA A C   
732  O O   . ALA A 110 ? 0.26291 0.33035 0.24188 -0.03793 -0.01098 0.00425  107 ALA A O   
733  C CB  . ALA A 110 ? 0.26064 0.29383 0.22150 -0.04524 0.00187  0.00603  107 ALA A CB  
734  N N   . SER A 111 ? 0.25543 0.30648 0.21955 -0.03232 -0.00921 0.01721  108 SER A N   
735  C CA  . SER A 111 ? 0.26569 0.32937 0.22634 -0.02833 -0.01605 0.01919  108 SER A CA  
736  C C   . SER A 111 ? 0.27789 0.34998 0.25371 -0.02130 -0.02139 0.02033  108 SER A C   
737  O O   . SER A 111 ? 0.28379 0.37293 0.26243 -0.01897 -0.02771 0.01793  108 SER A O   
738  C CB  . SER A 111 ? 0.31731 0.37709 0.26483 -0.02395 -0.01574 0.02955  108 SER A CB  
739  O OG  . SER A 111 ? 0.40825 0.46369 0.34013 -0.02757 -0.01092 0.02660  108 SER A OG  
740  N N   . GLN A 112 ? 0.25783 0.31847 0.24371 -0.01712 -0.01985 0.02324  109 GLN A N   
741  C CA  . GLN A 112 ? 0.26592 0.32943 0.26465 -0.00730 -0.02544 0.02380  109 GLN A CA  
742  C C   . GLN A 112 ? 0.28823 0.36312 0.29885 -0.00653 -0.02428 0.01238  109 GLN A C   
743  O O   . GLN A 112 ? 0.29297 0.38246 0.31355 0.00209  -0.02900 0.00943  109 GLN A O   
744  C CB  . GLN A 112 ? 0.30654 0.34799 0.30945 -0.00292 -0.02605 0.03194  109 GLN A CB  
745  C CG  . GLN A 112 ? 0.31390 0.34680 0.30814 -0.00196 -0.02762 0.04681  109 GLN A CG  
746  C CD  . GLN A 112 ? 0.34997 0.36018 0.35045 -0.00197 -0.02792 0.05588  109 GLN A CD  
747  O OE1 . GLN A 112 ? 0.41572 0.41885 0.41320 -0.00983 -0.02219 0.06107  109 GLN A OE1 
748  N NE2 . GLN A 112 ? 0.31294 0.31161 0.32301 0.00695  -0.03530 0.05791  109 GLN A NE2 
749  N N   . PHE A 113 ? 0.24378 0.31411 0.25333 -0.01423 -0.01794 0.00662  110 PHE A N   
750  C CA  . PHE A 113 ? 0.25826 0.33604 0.27731 -0.01200 -0.01574 -0.00233 110 PHE A CA  
751  C C   . PHE A 113 ? 0.28089 0.37265 0.29823 -0.02236 -0.01051 -0.00841 110 PHE A C   
752  O O   . PHE A 113 ? 0.26116 0.36513 0.28552 -0.02055 -0.00784 -0.01485 110 PHE A O   
753  C CB  . PHE A 113 ? 0.27405 0.33040 0.29451 -0.00946 -0.01448 -0.00292 110 PHE A CB  
754  C CG  . PHE A 113 ? 0.26569 0.30477 0.28999 -0.00066 -0.02062 0.00363  110 PHE A CG  
755  C CD1 . PHE A 113 ? 0.28901 0.33337 0.32134 0.01202  -0.02676 0.00214  110 PHE A CD1 
756  C CD2 . PHE A 113 ? 0.29556 0.31348 0.31661 -0.00505 -0.02052 0.01207  110 PHE A CD2 
757  C CE1 . PHE A 113 ? 0.30551 0.32934 0.34075 0.02006  -0.03352 0.00940  110 PHE A CE1 
758  C CE2 . PHE A 113 ? 0.28164 0.28178 0.30699 0.00073  -0.02662 0.02014  110 PHE A CE2 
759  C CZ  . PHE A 113 ? 0.32613 0.32663 0.35768 0.01326  -0.03354 0.01901  110 PHE A CZ  
760  N N   . SER A 114 ? 0.24733 0.33746 0.25494 -0.03267 -0.00915 -0.00653 111 SER A N   
761  C CA  . SER A 114 ? 0.24169 0.34056 0.24781 -0.04370 -0.00530 -0.01081 111 SER A CA  
762  C C   . SER A 114 ? 0.25225 0.38038 0.26920 -0.04556 -0.00777 -0.01403 111 SER A C   
763  O O   . SER A 114 ? 0.25698 0.39629 0.27639 -0.04315 -0.01389 -0.01278 111 SER A O   
764  C CB  . SER A 114 ? 0.26501 0.34970 0.25713 -0.05300 -0.00467 -0.00906 111 SER A CB  
765  O OG  . SER A 114 ? 0.25430 0.34087 0.24421 -0.06433 -0.00180 -0.01183 111 SER A OG  
766  N N   . ASP A 115 ? 0.23391 0.37742 0.25770 -0.04981 -0.00301 -0.01744 112 ASP A N   
767  C CA  . ASP A 115 ? 0.21186 0.38971 0.24934 -0.05292 -0.00363 -0.01960 112 ASP A CA  
768  C C   . ASP A 115 ? 0.28067 0.46356 0.31531 -0.07077 -0.00544 -0.01810 112 ASP A C   
769  O O   . ASP A 115 ? 0.29011 0.49023 0.33096 -0.08212 -0.00179 -0.01768 112 ASP A O   
770  C CB  . ASP A 115 ? 0.21585 0.41074 0.26076 -0.04994 0.00356  -0.02291 112 ASP A CB  
771  C CG  . ASP A 115 ? 0.24495 0.44561 0.29762 -0.03058 0.00279  -0.02765 112 ASP A CG  
772  O OD1 . ASP A 115 ? 0.23202 0.44615 0.29443 -0.02084 -0.00301 -0.02807 112 ASP A OD1 
773  O OD2 . ASP A 115 ? 0.23385 0.42553 0.28247 -0.02454 0.00716  -0.03152 112 ASP A OD2 
774  N N   . CYS A 116 ? 0.27764 0.44543 0.30231 -0.07342 -0.01167 -0.01716 113 CYS A N   
775  C CA  . CYS A 116 ? 0.28573 0.44622 0.30246 -0.08965 -0.01473 -0.01773 113 CYS A CA  
776  C C   . CYS A 116 ? 0.30133 0.45749 0.30986 -0.08759 -0.02368 -0.01901 113 CYS A C   
777  O O   . CYS A 116 ? 0.28595 0.43100 0.28744 -0.07500 -0.02460 -0.01697 113 CYS A O   
778  C CB  . CYS A 116 ? 0.31029 0.43946 0.31220 -0.09496 -0.00936 -0.01660 113 CYS A CB  
779  S SG  . CYS A 116 ? 0.37326 0.48271 0.36243 -0.11269 -0.01360 -0.01826 113 CYS A SG  
780  N N   . SER A 117 ? 0.30193 0.46779 0.31113 -0.10060 -0.03081 -0.02194 114 SER A N   
781  C CA  . SER A 117 ? 0.36102 0.52397 0.35939 -0.09884 -0.04051 -0.02464 114 SER A CA  
782  C C   . SER A 117 ? 0.33634 0.46451 0.31080 -0.09454 -0.03890 -0.02558 114 SER A C   
783  O O   . SER A 117 ? 0.32023 0.44558 0.28255 -0.08717 -0.04424 -0.02608 114 SER A O   
784  C CB  . SER A 117 ? 0.40352 0.58066 0.40631 -0.11596 -0.04986 -0.02936 114 SER A CB  
785  O OG  . SER A 117 ? 0.52182 0.67589 0.51654 -0.13136 -0.04802 -0.03150 114 SER A OG  
786  N N   . SER A 118 ? 0.31611 0.42038 0.28335 -0.09792 -0.03150 -0.02525 115 SER A N   
787  C CA  . SER A 118 ? 0.30419 0.37986 0.25149 -0.09164 -0.02865 -0.02587 115 SER A CA  
788  C C   . SER A 118 ? 0.28682 0.36219 0.23277 -0.07606 -0.02463 -0.01974 115 SER A C   
789  O O   . SER A 118 ? 0.27995 0.33874 0.21072 -0.07002 -0.02214 -0.01891 115 SER A O   
790  C CB  . SER A 118 ? 0.33052 0.38363 0.27325 -0.09716 -0.02213 -0.02582 115 SER A CB  
791  O OG  . SER A 118 ? 0.34134 0.40022 0.29597 -0.09321 -0.01465 -0.02051 115 SER A OG  
792  N N   . ALA A 119 ? 0.26141 0.35467 0.22302 -0.06934 -0.02416 -0.01529 116 ALA A N   
793  C CA  . ALA A 119 ? 0.28038 0.37051 0.24141 -0.05614 -0.02246 -0.00837 116 ALA A CA  
794  C C   . ALA A 119 ? 0.28510 0.37550 0.23148 -0.05103 -0.02784 -0.00614 116 ALA A C   
795  O O   . ALA A 119 ? 0.27463 0.35452 0.21225 -0.04352 -0.02444 0.00050  116 ALA A O   
796  C CB  . ALA A 119 ? 0.28290 0.39045 0.26252 -0.04901 -0.02366 -0.00587 116 ALA A CB  
797  N N   . LYS A 120 ? 0.26483 0.36934 0.20835 -0.05559 -0.03650 -0.01107 117 LYS A N   
798  C CA  . LYS A 120 ? 0.25651 0.36289 0.18262 -0.05039 -0.04260 -0.00995 117 LYS A CA  
799  C C   . LYS A 120 ? 0.28397 0.36935 0.18733 -0.05025 -0.03823 -0.01285 117 LYS A C   
800  O O   . LYS A 120 ? 0.30359 0.38905 0.19006 -0.04258 -0.03935 -0.00933 117 LYS A O   
801  C CB  . LYS A 120 ? 0.32679 0.45312 0.25416 -0.05685 -0.05448 -0.01674 117 LYS A CB  
802  C CG  . LYS A 120 ? 0.39745 0.55117 0.34686 -0.05266 -0.05966 -0.01281 117 LYS A CG  
803  C CD  . LYS A 120 ? 0.37697 0.55428 0.32500 -0.05458 -0.07327 -0.01639 117 LYS A CD  
804  C CE  . LYS A 120 ? 0.39711 0.60089 0.36366 -0.04320 -0.07856 -0.00948 117 LYS A CE  
805  N NZ  . LYS A 120 ? 0.44427 0.65929 0.43653 -0.04246 -0.07238 -0.00905 117 LYS A NZ  
806  N N   . ALA A 121 ? 0.28749 0.35616 0.18935 -0.05737 -0.03320 -0.01876 118 ALA A N   
807  C CA  . ALA A 121 ? 0.30502 0.35345 0.18738 -0.05475 -0.02829 -0.02234 118 ALA A CA  
808  C C   . ALA A 121 ? 0.31519 0.35357 0.20291 -0.04909 -0.01724 -0.01473 118 ALA A C   
809  O O   . ALA A 121 ? 0.30035 0.32266 0.17892 -0.04825 -0.01212 -0.01827 118 ALA A O   
810  C CB  . ALA A 121 ? 0.31782 0.35109 0.19327 -0.06555 -0.03216 -0.03428 118 ALA A CB  
811  N N   . ARG A 122 ? 0.26155 0.30876 0.16419 -0.04473 -0.01459 -0.00478 119 ARG A N   
812  C CA  . ARG A 122 ? 0.29648 0.33588 0.20697 -0.04108 -0.00620 0.00251  119 ARG A CA  
813  C C   . ARG A 122 ? 0.29138 0.31949 0.20780 -0.04723 -0.00256 -0.00281 119 ARG A C   
814  O O   . ARG A 122 ? 0.31442 0.33309 0.23045 -0.04476 0.00373  -0.00032 119 ARG A O   
815  C CB  . ARG A 122 ? 0.30094 0.33690 0.19786 -0.03381 -0.00039 0.00832  119 ARG A CB  
816  C CG  . ARG A 122 ? 0.36482 0.41229 0.25170 -0.02784 -0.00361 0.01527  119 ARG A CG  
817  C CD  . ARG A 122 ? 0.38105 0.42964 0.25550 -0.02100 0.00423  0.02319  119 ARG A CD  
818  N NE  . ARG A 122 ? 0.50308 0.56257 0.37471 -0.01618 0.00285  0.03678  119 ARG A NE  
819  C CZ  . ARG A 122 ? 0.53075 0.59390 0.40362 -0.01295 0.00990  0.05134  119 ARG A CZ  
820  N NH1 . ARG A 122 ? 0.54525 0.60508 0.42505 -0.01384 0.01870  0.05368  119 ARG A NH1 
821  N NH2 . ARG A 122 ? 0.44172 0.51317 0.31000 -0.00932 0.00759  0.06515  119 ARG A NH2 
822  N N   . GLY A 123 ? 0.28801 0.31896 0.20989 -0.05560 -0.00676 -0.00922 120 GLY A N   
823  C CA  . GLY A 123 ? 0.28475 0.30638 0.21164 -0.06229 -0.00371 -0.01206 120 GLY A CA  
824  C C   . GLY A 123 ? 0.32002 0.32368 0.23263 -0.06725 -0.00453 -0.01872 120 GLY A C   
825  O O   . GLY A 123 ? 0.33734 0.33224 0.25296 -0.07442 -0.00350 -0.01999 120 GLY A O   
826  N N   . ASP A 124 ? 0.31617 0.31317 0.21197 -0.06328 -0.00697 -0.02319 121 ASP A N   
827  C CA  . ASP A 124 ? 0.33945 0.31427 0.21945 -0.06482 -0.00819 -0.03114 121 ASP A CA  
828  C C   . ASP A 124 ? 0.37571 0.34337 0.25712 -0.07936 -0.01552 -0.03716 121 ASP A C   
829  O O   . ASP A 124 ? 0.36098 0.34256 0.24624 -0.08655 -0.02265 -0.03978 121 ASP A O   
830  C CB  . ASP A 124 ? 0.33949 0.31157 0.19922 -0.05589 -0.00983 -0.03656 121 ASP A CB  
831  C CG  . ASP A 124 ? 0.42101 0.36731 0.26192 -0.05505 -0.01248 -0.04774 121 ASP A CG  
832  O OD1 . ASP A 124 ? 0.40756 0.33676 0.24995 -0.05436 -0.00867 -0.04733 121 ASP A OD1 
833  O OD2 . ASP A 124 ? 0.45475 0.39683 0.27822 -0.05390 -0.01914 -0.05736 121 ASP A OD2 
834  N N   . LEU A 125 ? 0.37264 0.31932 0.25173 -0.08422 -0.01430 -0.03823 122 LEU A N   
835  C CA  . LEU A 125 ? 0.37984 0.31479 0.25878 -0.09985 -0.02136 -0.04228 122 LEU A CA  
836  C C   . LEU A 125 ? 0.43008 0.33377 0.28823 -0.09996 -0.02768 -0.05281 122 LEU A C   
837  O O   . LEU A 125 ? 0.45248 0.34211 0.30929 -0.11469 -0.03566 -0.05679 122 LEU A O   
838  C CB  . LEU A 125 ? 0.41398 0.34522 0.30404 -0.10727 -0.01683 -0.03441 122 LEU A CB  
839  C CG  . LEU A 125 ? 0.33584 0.29613 0.24461 -0.10628 -0.01112 -0.02646 122 LEU A CG  
840  C CD1 . LEU A 125 ? 0.40826 0.36268 0.32207 -0.11000 -0.00584 -0.01946 122 LEU A CD1 
841  C CD2 . LEU A 125 ? 0.40720 0.39362 0.32896 -0.11611 -0.01580 -0.02687 122 LEU A CD2 
842  N N   . GLY A 126 ? 0.43189 0.32470 0.27412 -0.08405 -0.02452 -0.05755 123 GLY A N   
843  C CA  . GLY A 126 ? 0.45983 0.32035 0.28065 -0.08020 -0.02977 -0.06921 123 GLY A CA  
844  C C   . GLY A 126 ? 0.47798 0.31090 0.29756 -0.07903 -0.02710 -0.06641 123 GLY A C   
845  O O   . GLY A 126 ? 0.45411 0.29542 0.28790 -0.07949 -0.02023 -0.05516 123 GLY A O   
846  N N   . ALA A 127 ? 0.48999 0.28821 0.29081 -0.07631 -0.03359 -0.07741 124 ALA A N   
847  C CA  . ALA A 127 ? 0.54216 0.30845 0.33881 -0.07353 -0.03319 -0.07537 124 ALA A CA  
848  C C   . ALA A 127 ? 0.56478 0.31278 0.36817 -0.09592 -0.04098 -0.07067 124 ALA A C   
849  O O   . ALA A 127 ? 0.56472 0.31507 0.37017 -0.11258 -0.04963 -0.07482 124 ALA A O   
850  C CB  . ALA A 127 ? 0.58291 0.31730 0.35521 -0.05716 -0.03671 -0.08996 124 ALA A CB  
851  N N   . PHE A 128 ? 0.52242 0.25455 0.32991 -0.09670 -0.03798 -0.06070 125 PHE A N   
852  C CA  . PHE A 128 ? 0.60563 0.31805 0.41780 -0.11755 -0.04418 -0.05313 125 PHE A CA  
853  C C   . PHE A 128 ? 0.57689 0.25717 0.38187 -0.10949 -0.04303 -0.04659 125 PHE A C   
854  O O   . PHE A 128 ? 0.58805 0.27409 0.39169 -0.08970 -0.03553 -0.04482 125 PHE A O   
855  C CB  . PHE A 128 ? 0.54084 0.29086 0.37509 -0.13363 -0.03929 -0.03996 125 PHE A CB  
856  C CG  . PHE A 128 ? 0.48340 0.26262 0.32860 -0.12148 -0.02747 -0.03067 125 PHE A CG  
857  C CD1 . PHE A 128 ? 0.45311 0.26530 0.30534 -0.11147 -0.02196 -0.03343 125 PHE A CD1 
858  C CD2 . PHE A 128 ? 0.50871 0.28103 0.35639 -0.12043 -0.02302 -0.01896 125 PHE A CD2 
859  C CE1 . PHE A 128 ? 0.48579 0.32140 0.34852 -0.10184 -0.01281 -0.02566 125 PHE A CE1 
860  C CE2 . PHE A 128 ? 0.44453 0.24318 0.30172 -0.10987 -0.01395 -0.01215 125 PHE A CE2 
861  C CZ  . PHE A 128 ? 0.45348 0.28261 0.31878 -0.10125 -0.00918 -0.01600 125 PHE A CZ  
862  N N   . SER A 129 ? 0.65810 0.31058 0.46229 -0.12304 -0.05047 -0.04155 126 SER A N   
863  C CA  . SER A 129 ? 0.66062 0.28544 0.46053 -0.11727 -0.05027 -0.03162 126 SER A CA  
864  C C   . SER A 129 ? 0.61162 0.25781 0.42757 -0.13337 -0.04557 -0.01219 126 SER A C   
865  O O   . SER A 129 ? 0.57649 0.25835 0.40743 -0.14765 -0.04237 -0.00782 126 SER A O   
866  C CB  . SER A 129 ? 0.69883 0.28436 0.48985 -0.11562 -0.06060 -0.03805 126 SER A CB  
867  O OG  . SER A 129 ? 0.70864 0.30073 0.50842 -0.13429 -0.06761 -0.04123 126 SER A OG  
868  N N   . ARG A 130 ? 0.63062 0.25723 0.44293 -0.12901 -0.04500 -0.00058 127 ARG A N   
869  C CA  . ARG A 130 ? 0.62407 0.27078 0.44859 -0.14303 -0.04072 0.01777  127 ARG A CA  
870  C C   . ARG A 130 ? 0.62213 0.27282 0.45734 -0.16357 -0.04579 0.02148  127 ARG A C   
871  O O   . ARG A 130 ? 0.62730 0.25033 0.45771 -0.16619 -0.05482 0.01307  127 ARG A O   
872  C CB  . ARG A 130 ? 0.62217 0.24575 0.43861 -0.13356 -0.04047 0.02988  127 ARG A CB  
873  C CG  . ARG A 130 ? 0.63367 0.26527 0.44478 -0.11663 -0.03386 0.03177  127 ARG A CG  
874  C CD  . ARG A 130 ? 0.63475 0.25787 0.44232 -0.11196 -0.03314 0.04825  127 ARG A CD  
875  N NE  . ARG A 130 ? 0.64505 0.28387 0.45156 -0.09439 -0.02754 0.05014  127 ARG A NE  
876  C CZ  . ARG A 130 ? 0.58130 0.26201 0.39846 -0.09679 -0.01993 0.05663  127 ARG A CZ  
877  N NH1 . ARG A 130 ? 0.52819 0.23296 0.35296 -0.11652 -0.01621 0.06254  127 ARG A NH1 
878  N NH2 . ARG A 130 ? 0.54971 0.24939 0.37038 -0.07862 -0.01646 0.05653  127 ARG A NH2 
879  N N   . GLY A 131 ? 0.60173 0.28840 0.45175 -0.17748 -0.03977 0.03357  128 GLY A N   
880  C CA  . GLY A 131 ? 0.60245 0.29935 0.46509 -0.19730 -0.04295 0.03901  128 GLY A CA  
881  C C   . GLY A 131 ? 0.59827 0.32626 0.47360 -0.20619 -0.04382 0.02983  128 GLY A C   
882  O O   . GLY A 131 ? 0.65728 0.39213 0.54361 -0.22246 -0.04804 0.03240  128 GLY A O   
883  N N   . GLN A 132 ? 0.54721 0.29417 0.42178 -0.19616 -0.04039 0.01973  129 GLN A N   
884  C CA  . GLN A 132 ? 0.55876 0.33671 0.44481 -0.20225 -0.04165 0.01119  129 GLN A CA  
885  C C   . GLN A 132 ? 0.56215 0.38772 0.46190 -0.20206 -0.03181 0.01637  129 GLN A C   
886  O O   . GLN A 132 ? 0.60157 0.45991 0.51704 -0.21185 -0.03173 0.01684  129 GLN A O   
887  C CB  . GLN A 132 ? 0.60868 0.36997 0.48182 -0.19041 -0.04713 -0.00655 129 GLN A CB  
888  C CG  . GLN A 132 ? 0.66604 0.38166 0.52453 -0.18749 -0.05749 -0.01592 129 GLN A CG  
889  C CD  . GLN A 132 ? 0.72672 0.43276 0.57141 -0.17461 -0.06220 -0.03479 129 GLN A CD  
890  O OE1 . GLN A 132 ? 0.72506 0.39880 0.55149 -0.15868 -0.06398 -0.04332 129 GLN A OE1 
891  N NE2 . GLN A 132 ? 0.77692 0.51318 0.62982 -0.17991 -0.06409 -0.04134 129 GLN A NE2 
892  N N   . MET A 133 ? 0.50893 0.33940 0.40368 -0.19041 -0.02396 0.01971  130 MET A N   
893  C CA  . MET A 133 ? 0.54696 0.41914 0.45309 -0.18721 -0.01512 0.02185  130 MET A CA  
894  C C   . MET A 133 ? 0.47287 0.36315 0.38435 -0.19016 -0.00755 0.03600  130 MET A C   
895  O O   . MET A 133 ? 0.50677 0.37434 0.41049 -0.19244 -0.00851 0.04509  130 MET A O   
896  C CB  . MET A 133 ? 0.48274 0.35007 0.38026 -0.17222 -0.01171 0.01462  130 MET A CB  
897  C CG  . MET A 133 ? 0.56252 0.41619 0.45246 -0.16380 -0.01770 0.00017  130 MET A CG  
898  S SD  . MET A 133 ? 0.60796 0.49882 0.51270 -0.17146 -0.02062 -0.00684 130 MET A SD  
899  C CE  . MET A 133 ? 0.58596 0.46676 0.47798 -0.15210 -0.02378 -0.02123 130 MET A CE  
900  N N   . GLN A 134 ? 0.44180 0.37328 0.36555 -0.18874 -0.00025 0.03728  131 GLN A N   
901  C CA  . GLN A 134 ? 0.41599 0.36851 0.34241 -0.18870 0.00765  0.04832  131 GLN A CA  
902  C C   . GLN A 134 ? 0.44541 0.37517 0.35664 -0.17843 0.00982  0.05270  131 GLN A C   
903  O O   . GLN A 134 ? 0.40697 0.32155 0.31072 -0.16795 0.00903  0.04582  131 GLN A O   
904  C CB  . GLN A 134 ? 0.43996 0.43790 0.37978 -0.18442 0.01472  0.04522  131 GLN A CB  
905  C CG  . GLN A 134 ? 0.48881 0.51655 0.44584 -0.19395 0.01330  0.04345  131 GLN A CG  
906  C CD  . GLN A 134 ? 0.51443 0.58854 0.48454 -0.18845 0.02128  0.04269  131 GLN A CD  
907  O OE1 . GLN A 134 ? 0.61538 0.71021 0.58835 -0.19076 0.02747  0.05086  131 GLN A OE1 
908  N NE2 . GLN A 134 ? 0.48786 0.57833 0.46538 -0.18019 0.02111  0.03273  131 GLN A NE2 
909  N N   . LYS A 135 ? 0.45307 0.38185 0.35981 -0.18153 0.01249  0.06505  132 LYS A N   
910  C CA  . LYS A 135 ? 0.45315 0.35522 0.34421 -0.17290 0.01199  0.07104  132 LYS A CA  
911  C C   . LYS A 135 ? 0.42990 0.33999 0.31614 -0.15877 0.01591  0.06598  132 LYS A C   
912  O O   . LYS A 135 ? 0.46787 0.34914 0.34316 -0.14970 0.01249  0.06422  132 LYS A O   
913  C CB  . LYS A 135 ? 0.48257 0.38942 0.37016 -0.17864 0.01486  0.08619  132 LYS A CB  
914  C CG  . LYS A 135 ? 0.58457 0.44921 0.46150 -0.18156 0.00801  0.09395  132 LYS A CG  
915  C CD  . LYS A 135 ? 0.60701 0.44383 0.46940 -0.16652 0.00518  0.09240  132 LYS A CD  
916  C CE  . LYS A 135 ? 0.65287 0.44185 0.50616 -0.16544 -0.00386 0.09232  132 LYS A CE  
917  N NZ  . LYS A 135 ? 0.69727 0.46056 0.53584 -0.14973 -0.00639 0.09574  132 LYS A NZ  
918  N N   . PRO A 136 ? 0.42910 0.37609 0.32272 -0.15534 0.02260  0.06334  133 PRO A N   
919  C CA  . PRO A 136 ? 0.39516 0.34783 0.28673 -0.13860 0.02401  0.05625  133 PRO A CA  
920  C C   . PRO A 136 ? 0.35638 0.29678 0.25291 -0.12853 0.01991  0.04397  133 PRO A C   
921  O O   . PRO A 136 ? 0.37039 0.30095 0.26380 -0.11460 0.01824  0.04035  133 PRO A O   
922  C CB  . PRO A 136 ? 0.39442 0.38805 0.29479 -0.13688 0.03060  0.05293  133 PRO A CB  
923  C CG  . PRO A 136 ? 0.44589 0.45648 0.34976 -0.15100 0.03411  0.06190  133 PRO A CG  
924  C CD  . PRO A 136 ? 0.42182 0.40797 0.32852 -0.16136 0.02786  0.06370  133 PRO A CD  
925  N N   . PHE A 137 ? 0.38358 0.32647 0.28782 -0.13579 0.01808  0.03825  134 PHE A N   
926  C CA  . PHE A 137 ? 0.35084 0.28446 0.25745 -0.12654 0.01459  0.02738  134 PHE A CA  
927  C C   . PHE A 137 ? 0.37851 0.27439 0.27263 -0.12255 0.00943  0.02691  134 PHE A C   
928  O O   . PHE A 137 ? 0.34723 0.23525 0.23913 -0.10810 0.00885  0.02125  134 PHE A O   
929  C CB  . PHE A 137 ? 0.35201 0.30104 0.26861 -0.13538 0.01298  0.02178  134 PHE A CB  
930  C CG  . PHE A 137 ? 0.32307 0.27200 0.24219 -0.12477 0.01054  0.01149  134 PHE A CG  
931  C CD1 . PHE A 137 ? 0.36676 0.28903 0.27605 -0.12212 0.00548  0.00631  134 PHE A CD1 
932  C CD2 . PHE A 137 ? 0.30839 0.28319 0.23829 -0.11665 0.01321  0.00725  134 PHE A CD2 
933  C CE1 . PHE A 137 ? 0.32457 0.25007 0.23412 -0.11189 0.00430  -0.00179 134 PHE A CE1 
934  C CE2 . PHE A 137 ? 0.33842 0.31318 0.26967 -0.10761 0.01111  0.00055  134 PHE A CE2 
935  C CZ  . PHE A 137 ? 0.34438 0.29639 0.26508 -0.10553 0.00721  -0.00338 134 PHE A CZ  
936  N N   . GLU A 138 ? 0.38766 0.26014 0.27394 -0.13499 0.00564  0.03315  135 GLU A N   
937  C CA  . GLU A 138 ? 0.40185 0.23388 0.27465 -0.12985 -0.00020 0.03219  135 GLU A CA  
938  C C   . GLU A 138 ? 0.44782 0.27107 0.31409 -0.11402 0.00117  0.03656  135 GLU A C   
939  O O   . GLU A 138 ? 0.42278 0.23149 0.28463 -0.09883 -0.00062 0.03000  135 GLU A O   
940  C CB  . GLU A 138 ? 0.42974 0.23611 0.29595 -0.14807 -0.00542 0.04018  135 GLU A CB  
941  C CG  . GLU A 138 ? 0.49785 0.25709 0.34837 -0.14184 -0.01229 0.04064  135 GLU A CG  
942  C CD  . GLU A 138 ? 0.55422 0.29560 0.40426 -0.15509 -0.01778 0.04872  135 GLU A CD  
943  O OE1 . GLU A 138 ? 0.54172 0.28751 0.39931 -0.16690 -0.02166 0.04378  135 GLU A OE1 
944  O OE2 . GLU A 138 ? 0.56448 0.29018 0.40808 -0.15292 -0.01844 0.06045  135 GLU A OE2 
945  N N   . ASP A 139 ? 0.42118 0.25618 0.28673 -0.11679 0.00429  0.04765  136 ASP A N   
946  C CA  . ASP A 139 ? 0.44148 0.26925 0.30062 -0.10258 0.00377  0.05251  136 ASP A CA  
947  C C   . ASP A 139 ? 0.37560 0.22144 0.24327 -0.08634 0.00580  0.04312  136 ASP A C   
948  O O   . ASP A 139 ? 0.40242 0.23636 0.26721 -0.07200 0.00361  0.04193  136 ASP A O   
949  C CB  . ASP A 139 ? 0.41693 0.26028 0.27263 -0.10827 0.00667  0.06501  136 ASP A CB  
950  C CG  . ASP A 139 ? 0.50389 0.32276 0.34796 -0.12163 0.00398  0.07938  136 ASP A CG  
951  O OD1 . ASP A 139 ? 0.51840 0.30165 0.35632 -0.12435 -0.00184 0.07909  136 ASP A OD1 
952  O OD2 . ASP A 139 ? 0.55292 0.38756 0.39304 -0.12941 0.00748  0.09115  136 ASP A OD2 
953  N N   . ALA A 140 ? 0.33515 0.21048 0.21440 -0.08832 0.00977  0.03724  137 ALA A N   
954  C CA  . ALA A 140 ? 0.31606 0.20720 0.20451 -0.07551 0.01116  0.03014  137 ALA A CA  
955  C C   . ALA A 140 ? 0.35815 0.23619 0.24633 -0.06774 0.00998  0.02264  137 ALA A C   
956  O O   . ALA A 140 ? 0.34253 0.22117 0.23314 -0.05464 0.01012  0.02089  137 ALA A O   
957  C CB  . ALA A 140 ? 0.31072 0.23124 0.21053 -0.07928 0.01455  0.02582  137 ALA A CB  
958  N N   . SER A 141 ? 0.34371 0.21117 0.22835 -0.07565 0.00854  0.01827  138 SER A N   
959  C CA  . SER A 141 ? 0.34670 0.20314 0.22771 -0.06763 0.00734  0.00966  138 SER A CA  
960  C C   . SER A 141 ? 0.38854 0.21930 0.25930 -0.05504 0.00500  0.00964  138 SER A C   
961  O O   . SER A 141 ? 0.39869 0.23330 0.27050 -0.04077 0.00696  0.00477  138 SER A O   
962  C CB  . SER A 141 ? 0.38156 0.22951 0.25847 -0.07957 0.00402  0.00437  138 SER A CB  
963  O OG  . SER A 141 ? 0.32938 0.20544 0.21783 -0.08760 0.00624  0.00370  138 SER A OG  
964  N N   . PHE A 142 ? 0.39247 0.19790 0.25359 -0.05934 0.00098  0.01597  139 PHE A N   
965  C CA  . PHE A 142 ? 0.43847 0.21566 0.28908 -0.04540 -0.00245 0.01548  139 PHE A CA  
966  C C   . PHE A 142 ? 0.45371 0.24338 0.30976 -0.03154 -0.00082 0.02173  139 PHE A C   
967  O O   . PHE A 142 ? 0.52808 0.30223 0.37896 -0.01562 -0.00280 0.02041  139 PHE A O   
968  C CB  . PHE A 142 ? 0.47260 0.21217 0.30995 -0.05535 -0.00904 0.02064  139 PHE A CB  
969  C CG  . PHE A 142 ? 0.50109 0.21813 0.33047 -0.06363 -0.01375 0.01084  139 PHE A CG  
970  C CD1 . PHE A 142 ? 0.48783 0.21768 0.32286 -0.08315 -0.01397 0.01036  139 PHE A CD1 
971  C CD2 . PHE A 142 ? 0.58397 0.26873 0.40028 -0.05075 -0.01857 0.00097  139 PHE A CD2 
972  C CE1 . PHE A 142 ? 0.55100 0.26228 0.37944 -0.09169 -0.02003 0.00060  139 PHE A CE1 
973  C CE2 . PHE A 142 ? 0.61952 0.28261 0.42670 -0.05837 -0.02448 -0.00999 139 PHE A CE2 
974  C CZ  . PHE A 142 ? 0.57946 0.25604 0.39305 -0.07986 -0.02575 -0.00995 139 PHE A CZ  
975  N N   . ALA A 143 ? 0.40859 0.22641 0.27494 -0.03630 0.00198  0.02746  140 ALA A N   
976  C CA  . ALA A 143 ? 0.39535 0.22977 0.26892 -0.02458 0.00218  0.03188  140 ALA A CA  
977  C C   . ALA A 143 ? 0.43760 0.29831 0.32544 -0.01558 0.00621  0.02555  140 ALA A C   
978  O O   . ALA A 143 ? 0.40774 0.28274 0.30398 -0.00480 0.00577  0.02813  140 ALA A O   
979  C CB  . ALA A 143 ? 0.39564 0.24616 0.27105 -0.03390 0.00189  0.03989  140 ALA A CB  
980  N N   . LEU A 144 ? 0.39308 0.26146 0.28429 -0.02023 0.00961  0.01851  141 LEU A N   
981  C CA  . LEU A 144 ? 0.38108 0.27282 0.28462 -0.01291 0.01378  0.01485  141 LEU A CA  
982  C C   . LEU A 144 ? 0.39026 0.27428 0.28933 0.00271  0.01549  0.01051  141 LEU A C   
983  O O   . LEU A 144 ? 0.44746 0.30454 0.33171 0.00605  0.01333  0.00586  141 LEU A O   
984  C CB  . LEU A 144 ? 0.35917 0.26206 0.26636 -0.02249 0.01637  0.01044  141 LEU A CB  
985  C CG  . LEU A 144 ? 0.32790 0.24517 0.24253 -0.03448 0.01593  0.01268  141 LEU A CG  
986  C CD1 . LEU A 144 ? 0.33034 0.25297 0.24574 -0.04199 0.01724  0.00799  141 LEU A CD1 
987  C CD2 . LEU A 144 ? 0.34190 0.28108 0.27113 -0.03128 0.01623  0.01546  141 LEU A CD2 
988  N N   . ARG A 145 ? 0.37413 0.28269 0.28642 0.01226  0.01925  0.01171  142 ARG A N   
989  C CA  . ARG A 145 ? 0.48299 0.39439 0.39308 0.02781  0.02343  0.00716  142 ARG A CA  
990  C C   . ARG A 145 ? 0.44196 0.36400 0.35080 0.02407  0.02835  0.00240  142 ARG A C   
991  O O   . ARG A 145 ? 0.37862 0.31165 0.29415 0.01120  0.02853  0.00452  142 ARG A O   
992  C CB  . ARG A 145 ? 0.51609 0.45445 0.44330 0.03924  0.02570  0.01267  142 ARG A CB  
993  C CG  . ARG A 145 ? 0.53704 0.46931 0.46645 0.04309  0.01946  0.01850  142 ARG A CG  
994  C CD  . ARG A 145 ? 0.58293 0.54973 0.53487 0.04467  0.01937  0.02507  142 ARG A CD  
995  N NE  . ARG A 145 ? 0.62729 0.60869 0.58953 0.02800  0.01861  0.02720  142 ARG A NE  
996  C CZ  . ARG A 145 ? 0.58726 0.59623 0.56953 0.02455  0.01719  0.03170  142 ARG A CZ  
997  N NH1 . ARG A 145 ? 0.64098 0.67194 0.63803 0.03528  0.01711  0.03566  142 ARG A NH1 
998  N NH2 . ARG A 145 ? 0.53367 0.54855 0.52214 0.01020  0.01514  0.03182  142 ARG A NH2 
999  N N   . THR A 146 ? 0.50593 0.42420 0.40454 0.03687  0.03193  -0.00439 143 THR A N   
1000 C CA  . THR A 146 ? 0.45737 0.38651 0.35134 0.03498  0.03634  -0.00845 143 THR A CA  
1001 C C   . THR A 146 ? 0.41867 0.38247 0.33243 0.03023  0.04145  0.00062  143 THR A C   
1002 O O   . THR A 146 ? 0.42516 0.41100 0.35374 0.03759  0.04521  0.00673  143 THR A O   
1003 C CB  . THR A 146 ? 0.50576 0.43027 0.38473 0.05279  0.04026  -0.01744 143 THR A CB  
1004 O OG1 . THR A 146 ? 0.58734 0.47311 0.44599 0.05457  0.03341  -0.02744 143 THR A OG1 
1005 C CG2 . THR A 146 ? 0.49078 0.43306 0.36449 0.05213  0.04561  -0.01963 143 THR A CG2 
1006 N N   . GLY A 147 ? 0.37644 0.34479 0.29163 0.01753  0.04071  0.00201  144 GLY A N   
1007 C CA  . GLY A 147 ? 0.39772 0.39216 0.33036 0.01146  0.04387  0.01096  144 GLY A CA  
1008 C C   . GLY A 147 ? 0.35581 0.35293 0.30392 0.00026  0.03904  0.01622  144 GLY A C   
1009 O O   . GLY A 147 ? 0.36801 0.38034 0.32973 -0.00664 0.03948  0.02243  144 GLY A O   
1010 N N   . GLU A 148 ? 0.33623 0.31767 0.28108 -0.00150 0.03402  0.01391  145 GLU A N   
1011 C CA  . GLU A 148 ? 0.29292 0.27779 0.24901 -0.00994 0.02936  0.01747  145 GLU A CA  
1012 C C   . GLU A 148 ? 0.30890 0.28554 0.26071 -0.02148 0.02625  0.01466  145 GLU A C   
1013 O O   . GLU A 148 ? 0.30885 0.27244 0.24784 -0.02396 0.02594  0.00997  145 GLU A O   
1014 C CB  . GLU A 148 ? 0.31923 0.29409 0.27193 -0.00493 0.02582  0.01789  145 GLU A CB  
1015 C CG  . GLU A 148 ? 0.41729 0.39675 0.37783 -0.01180 0.02061  0.02081  145 GLU A CG  
1016 C CD  . GLU A 148 ? 0.42327 0.39388 0.37847 -0.00564 0.01671  0.02300  145 GLU A CD  
1017 O OE1 . GLU A 148 ? 0.41546 0.37121 0.36007 0.00381  0.01766  0.02188  145 GLU A OE1 
1018 O OE2 . GLU A 148 ? 0.51920 0.49715 0.48004 -0.00929 0.01196  0.02558  145 GLU A OE2 
1019 N N   . MET A 149 ? 0.28125 0.26688 0.24464 -0.02814 0.02337  0.01685  146 MET A N   
1020 C CA  . MET A 149 ? 0.28048 0.26357 0.24269 -0.03661 0.02092  0.01393  146 MET A CA  
1021 C C   . MET A 149 ? 0.26828 0.24835 0.22892 -0.04011 0.01722  0.01298  146 MET A C   
1022 O O   . MET A 149 ? 0.27642 0.26108 0.24241 -0.03755 0.01478  0.01525  146 MET A O   
1023 C CB  . MET A 149 ? 0.28515 0.27946 0.25999 -0.03955 0.02030  0.01596  146 MET A CB  
1024 C CG  . MET A 149 ? 0.28967 0.28281 0.26371 -0.04482 0.01807  0.01219  146 MET A CG  
1025 S SD  . MET A 149 ? 0.30015 0.30027 0.28807 -0.04610 0.01596  0.01551  146 MET A SD  
1026 C CE  . MET A 149 ? 0.31145 0.31369 0.31161 -0.04792 0.01089  0.01522  146 MET A CE  
1027 N N   . SER A 150 ? 0.24312 0.21842 0.19644 -0.04601 0.01672  0.01008  147 SER A N   
1028 C CA  . SER A 150 ? 0.22961 0.20567 0.17945 -0.04938 0.01452  0.00994  147 SER A CA  
1029 C C   . SER A 150 ? 0.22444 0.21244 0.18335 -0.05059 0.01212  0.00660  147 SER A C   
1030 O O   . SER A 150 ? 0.24538 0.23807 0.21354 -0.05015 0.01174  0.00498  147 SER A O   
1031 C CB  . SER A 150 ? 0.26884 0.23878 0.20837 -0.05621 0.01585  0.00947  147 SER A CB  
1032 O OG  . SER A 150 ? 0.26613 0.24597 0.21074 -0.06012 0.01673  0.00563  147 SER A OG  
1033 N N   . GLY A 151 ? 0.23724 0.22869 0.19142 -0.05173 0.01010  0.00542  148 GLY A N   
1034 C CA  . GLY A 151 ? 0.25469 0.25551 0.21223 -0.05220 0.00813  -0.00064 148 GLY A CA  
1035 C C   . GLY A 151 ? 0.24857 0.25476 0.20115 -0.05596 0.01203  -0.00269 148 GLY A C   
1036 O O   . GLY A 151 ? 0.25844 0.26045 0.20862 -0.05964 0.01499  0.00014  148 GLY A O   
1037 N N   . PRO A 152 ? 0.23957 0.25678 0.19130 -0.05475 0.01172  -0.00844 149 PRO A N   
1038 C CA  . PRO A 152 ? 0.23684 0.26600 0.18633 -0.05791 0.01627  -0.00981 149 PRO A CA  
1039 C C   . PRO A 152 ? 0.26843 0.29696 0.20698 -0.06538 0.02006  -0.00219 149 PRO A C   
1040 O O   . PRO A 152 ? 0.29627 0.32373 0.22490 -0.06553 0.01971  0.00132  149 PRO A O   
1041 C CB  . PRO A 152 ? 0.25457 0.29682 0.20356 -0.05207 0.01526  -0.01843 149 PRO A CB  
1042 C CG  . PRO A 152 ? 0.32039 0.35291 0.27391 -0.04687 0.00832  -0.02299 149 PRO A CG  
1043 C CD  . PRO A 152 ? 0.26240 0.28308 0.21542 -0.04990 0.00673  -0.01497 149 PRO A CD  
1044 N N   . VAL A 153 ? 0.25538 0.28429 0.19545 -0.07221 0.02274  0.00083  150 VAL A N   
1045 C CA  . VAL A 153 ? 0.26770 0.29283 0.19901 -0.08206 0.02535  0.00891  150 VAL A CA  
1046 C C   . VAL A 153 ? 0.27706 0.32469 0.21305 -0.08883 0.02967  0.00873  150 VAL A C   
1047 O O   . VAL A 153 ? 0.25198 0.30840 0.19834 -0.08888 0.02928  0.00429  150 VAL A O   
1048 C CB  . VAL A 153 ? 0.27614 0.27890 0.20501 -0.08567 0.02307  0.01238  150 VAL A CB  
1049 C CG1 . VAL A 153 ? 0.30183 0.29638 0.22281 -0.09790 0.02413  0.02026  150 VAL A CG1 
1050 C CG2 . VAL A 153 ? 0.29276 0.27897 0.21805 -0.07747 0.02002  0.01338  150 VAL A CG2 
1051 N N   . PHE A 154 ? 0.26883 0.32868 0.19762 -0.09417 0.03383  0.01441  151 PHE A N   
1052 C CA  . PHE A 154 ? 0.27766 0.36712 0.21238 -0.09950 0.03949  0.01479  151 PHE A CA  
1053 C C   . PHE A 154 ? 0.29909 0.38711 0.23435 -0.11641 0.04102  0.02507  151 PHE A C   
1054 O O   . PHE A 154 ? 0.32778 0.39755 0.25175 -0.12431 0.04048  0.03513  151 PHE A O   
1055 C CB  . PHE A 154 ? 0.29925 0.40887 0.22516 -0.09496 0.04434  0.01501  151 PHE A CB  
1056 C CG  . PHE A 154 ? 0.27554 0.38848 0.20140 -0.07917 0.04168  0.00249  151 PHE A CG  
1057 C CD1 . PHE A 154 ? 0.29671 0.38755 0.21626 -0.07284 0.03550  0.00029  151 PHE A CD1 
1058 C CD2 . PHE A 154 ? 0.32802 0.46678 0.26055 -0.07059 0.04478  -0.00726 151 PHE A CD2 
1059 C CE1 . PHE A 154 ? 0.30487 0.39708 0.22521 -0.06082 0.03148  -0.01125 151 PHE A CE1 
1060 C CE2 . PHE A 154 ? 0.29350 0.43030 0.22487 -0.05633 0.04077  -0.01987 151 PHE A CE2 
1061 C CZ  . PHE A 154 ? 0.26328 0.37576 0.18870 -0.05276 0.03367  -0.02173 151 PHE A CZ  
1062 N N   . THR A 155 ? 0.27990 0.38695 0.22874 -0.12220 0.04196  0.02289  152 THR A N   
1063 C CA  . THR A 155 ? 0.28247 0.39561 0.23536 -0.14069 0.04305  0.03217  152 THR A CA  
1064 C C   . THR A 155 ? 0.31802 0.47453 0.28579 -0.14208 0.04844  0.03087  152 THR A C   
1065 O O   . THR A 155 ? 0.31929 0.49904 0.29250 -0.12866 0.05182  0.02219  152 THR A O   
1066 C CB  . THR A 155 ? 0.33265 0.42222 0.28888 -0.14753 0.03541  0.03003  152 THR A CB  
1067 O OG1 . THR A 155 ? 0.31880 0.42700 0.28898 -0.14112 0.03340  0.02057  152 THR A OG1 
1068 C CG2 . THR A 155 ? 0.35609 0.40668 0.29958 -0.13955 0.03029  0.02789  152 THR A CG2 
1069 N N   . ASP A 156 ? 0.31005 0.47374 0.28515 -0.15420 0.04705  0.03801  153 ASP A N   
1070 C CA  . ASP A 156 ? 0.33050 0.53589 0.32211 -0.15414 0.05087  0.03680  153 ASP A CA  
1071 C C   . ASP A 156 ? 0.30058 0.52297 0.30711 -0.14751 0.04819  0.02597  153 ASP A C   
1072 O O   . ASP A 156 ? 0.33847 0.59856 0.35844 -0.14048 0.05211  0.02204  153 ASP A O   
1073 C CB  . ASP A 156 ? 0.32905 0.53723 0.32699 -0.17060 0.04885  0.04712  153 ASP A CB  
1074 C CG  . ASP A 156 ? 0.42264 0.63238 0.41136 -0.17538 0.05428  0.05907  153 ASP A CG  
1075 O OD1 . ASP A 156 ? 0.42979 0.63677 0.40517 -0.16548 0.05881  0.05902  153 ASP A OD1 
1076 O OD2 . ASP A 156 ? 0.47733 0.69151 0.47206 -0.18947 0.05364  0.06880  153 ASP A OD2 
1077 N N   . SER A 157 ? 0.30116 0.49741 0.30552 -0.14843 0.04141  0.02125  154 SER A N   
1078 C CA  . SER A 157 ? 0.28241 0.49065 0.29919 -0.13986 0.03711  0.01172  154 SER A CA  
1079 C C   . SER A 157 ? 0.28675 0.49764 0.30215 -0.11731 0.03886  0.00252  154 SER A C   
1080 O O   . SER A 157 ? 0.24424 0.47409 0.27195 -0.10621 0.03684  -0.00436 154 SER A O   
1081 C CB  . SER A 157 ? 0.33260 0.50519 0.34262 -0.14290 0.02761  0.00909  154 SER A CB  
1082 O OG  . SER A 157 ? 0.49403 0.65437 0.50204 -0.16209 0.02371  0.01548  154 SER A OG  
1083 N N   . GLY A 158 ? 0.26558 0.45640 0.26644 -0.11035 0.04125  0.00226  155 GLY A N   
1084 C CA  . GLY A 158 ? 0.24951 0.43612 0.24847 -0.09106 0.04055  -0.00711 155 GLY A CA  
1085 C C   . GLY A 158 ? 0.27810 0.42863 0.26217 -0.08785 0.03766  -0.00674 155 GLY A C   
1086 O O   . GLY A 158 ? 0.29305 0.42998 0.26598 -0.09707 0.03920  0.00072  155 GLY A O   
1087 N N   . ILE A 159 ? 0.21688 0.35235 0.20148 -0.07510 0.03312  -0.01364 156 ILE A N   
1088 C CA  . ILE A 159 ? 0.20852 0.31559 0.18264 -0.07162 0.03025  -0.01339 156 ILE A CA  
1089 C C   . ILE A 159 ? 0.24484 0.33041 0.22055 -0.07188 0.02501  -0.01227 156 ILE A C   
1090 O O   . ILE A 159 ? 0.21839 0.30807 0.20279 -0.06614 0.02198  -0.01568 156 ILE A O   
1091 C CB  . ILE A 159 ? 0.25727 0.36508 0.23054 -0.05810 0.02905  -0.02176 156 ILE A CB  
1092 C CG1 . ILE A 159 ? 0.23971 0.37502 0.21084 -0.05472 0.03490  -0.02538 156 ILE A CG1 
1093 C CG2 . ILE A 159 ? 0.23743 0.32223 0.20088 -0.05736 0.02608  -0.02024 156 ILE A CG2 
1094 C CD1 . ILE A 159 ? 0.24818 0.38409 0.21740 -0.03970 0.03251  -0.03708 156 ILE A CD1 
1095 N N   . HIS A 160 ? 0.24237 0.30605 0.20879 -0.07713 0.02404  -0.00721 157 HIS A N   
1096 C CA  . HIS A 160 ? 0.21901 0.26427 0.18406 -0.07693 0.02049  -0.00611 157 HIS A CA  
1097 C C   . HIS A 160 ? 0.25415 0.28326 0.21645 -0.06960 0.01891  -0.00588 157 HIS A C   
1098 O O   . HIS A 160 ? 0.26712 0.29310 0.22504 -0.06810 0.01954  -0.00505 157 HIS A O   
1099 C CB  . HIS A 160 ? 0.25151 0.28314 0.20811 -0.08730 0.02010  -0.00160 157 HIS A CB  
1100 C CG  . HIS A 160 ? 0.29103 0.33686 0.25104 -0.09879 0.02072  -0.00002 157 HIS A CG  
1101 N ND1 . HIS A 160 ? 0.29328 0.33940 0.25581 -0.10467 0.01682  -0.00169 157 HIS A ND1 
1102 C CD2 . HIS A 160 ? 0.26026 0.32214 0.22172 -0.10677 0.02456  0.00391  157 HIS A CD2 
1103 C CE1 . HIS A 160 ? 0.28297 0.34509 0.25084 -0.11682 0.01752  0.00097  157 HIS A CE1 
1104 N NE2 . HIS A 160 ? 0.26653 0.33939 0.23423 -0.11843 0.02301  0.00519  157 HIS A NE2 
1105 N N   . ILE A 161 ? 0.23181 0.25348 0.19712 -0.06536 0.01664  -0.00591 158 ILE A N   
1106 C CA  . ILE A 161 ? 0.25746 0.26530 0.22068 -0.06132 0.01598  -0.00321 158 ILE A CA  
1107 C C   . ILE A 161 ? 0.25908 0.25615 0.21422 -0.06366 0.01642  -0.00132 158 ILE A C   
1108 O O   . ILE A 161 ? 0.26066 0.26106 0.21530 -0.06540 0.01527  -0.00281 158 ILE A O   
1109 C CB  . ILE A 161 ? 0.28170 0.29066 0.25419 -0.05505 0.01380  -0.00317 158 ILE A CB  
1110 C CG1 . ILE A 161 ? 0.27744 0.29318 0.25714 -0.05154 0.01156  -0.00773 158 ILE A CG1 
1111 C CG2 . ILE A 161 ? 0.32084 0.32129 0.29377 -0.05262 0.01400  0.00107  158 ILE A CG2 
1112 C CD1 . ILE A 161 ? 0.29160 0.30408 0.28092 -0.04652 0.00784  -0.00693 158 ILE A CD1 
1113 N N   . ILE A 162 ? 0.25406 0.23828 0.20202 -0.06272 0.01724  0.00104  159 ILE A N   
1114 C CA  . ILE A 162 ? 0.25850 0.22874 0.19612 -0.06328 0.01712  0.00068  159 ILE A CA  
1115 C C   . ILE A 162 ? 0.25874 0.22471 0.19583 -0.05421 0.01864  0.00217  159 ILE A C   
1116 O O   . ILE A 162 ? 0.27079 0.23823 0.21269 -0.04989 0.01936  0.00517  159 ILE A O   
1117 C CB  . ILE A 162 ? 0.26359 0.21969 0.19174 -0.06870 0.01651  0.00238  159 ILE A CB  
1118 C CG1 . ILE A 162 ? 0.27883 0.24489 0.20924 -0.07896 0.01653  0.00327  159 ILE A CG1 
1119 C CG2 . ILE A 162 ? 0.31667 0.25329 0.23311 -0.06831 0.01476  -0.00020 159 ILE A CG2 
1120 C CD1 . ILE A 162 ? 0.31255 0.26589 0.23403 -0.08618 0.01633  0.00849  159 ILE A CD1 
1121 N N   . LEU A 163 ? 0.26961 0.23309 0.20080 -0.05120 0.01906  0.00010  160 LEU A N   
1122 C CA  . LEU A 163 ? 0.27937 0.24268 0.20865 -0.04179 0.02213  0.00174  160 LEU A CA  
1123 C C   . LEU A 163 ? 0.32308 0.26934 0.23652 -0.03810 0.02174  -0.00341 160 LEU A C   
1124 O O   . LEU A 163 ? 0.33035 0.27110 0.23425 -0.04128 0.01920  -0.00871 160 LEU A O   
1125 C CB  . LEU A 163 ? 0.29831 0.27505 0.23186 -0.03919 0.02367  0.00425  160 LEU A CB  
1126 C CG  . LEU A 163 ? 0.29873 0.28111 0.22987 -0.03002 0.02849  0.00738  160 LEU A CG  
1127 C CD1 . LEU A 163 ? 0.29325 0.28260 0.23673 -0.02657 0.03100  0.01300  160 LEU A CD1 
1128 C CD2 . LEU A 163 ? 0.30978 0.30481 0.24235 -0.02929 0.02973  0.01191  160 LEU A CD2 
1129 N N   . ARG A 164 ? 0.31556 0.25292 0.22603 -0.03065 0.02316  -0.00263 161 ARG A N   
1130 C CA  . ARG A 164 ? 0.35518 0.27265 0.24962 -0.02413 0.02221  -0.00885 161 ARG A CA  
1131 C C   . ARG A 164 ? 0.34750 0.27501 0.23730 -0.01260 0.02682  -0.01121 161 ARG A C   
1132 O O   . ARG A 164 ? 0.37250 0.31703 0.27224 -0.00483 0.03193  -0.00566 161 ARG A O   
1133 C CB  . ARG A 164 ? 0.35426 0.25674 0.24633 -0.01825 0.02125  -0.00699 161 ARG A CB  
1134 C CG  . ARG A 164 ? 0.38458 0.26190 0.25894 -0.00956 0.01926  -0.01490 161 ARG A CG  
1135 C CD  . ARG A 164 ? 0.43183 0.28964 0.30212 -0.00166 0.01705  -0.01283 161 ARG A CD  
1136 N NE  . ARG A 164 ? 0.46256 0.29604 0.31580 0.01044  0.01525  -0.02223 161 ARG A NE  
1137 C CZ  . ARG A 164 ? 0.53945 0.35444 0.38672 0.02388  0.01359  -0.02281 161 ARG A CZ  
1138 N NH1 . ARG A 164 ? 0.54644 0.36563 0.40333 0.02637  0.01311  -0.01336 161 ARG A NH1 
1139 N NH2 . ARG A 164 ? 0.54427 0.33544 0.37448 0.03631  0.01153  -0.03383 161 ARG A NH2 
1140 N N   . THR A 165 ? 0.36721 0.28656 0.24201 -0.01203 0.02486  -0.01911 162 THR A N   
1141 C CA  . THR A 165 ? 0.38951 0.32070 0.25604 -0.00082 0.02964  -0.02161 162 THR A CA  
1142 C C   . THR A 165 ? 0.40675 0.32042 0.25508 0.01302  0.03005  -0.03157 162 THR A C   
1143 O O   . THR A 165 ? 0.44412 0.37224 0.28750 0.02652  0.03664  -0.03238 162 THR A O   
1144 C CB  . THR A 165 ? 0.40511 0.34356 0.26511 -0.00726 0.02680  -0.02409 162 THR A CB  
1145 O OG1 . THR A 165 ? 0.39815 0.31504 0.24649 -0.01545 0.01849  -0.03349 162 THR A OG1 
1146 C CG2 . THR A 165 ? 0.38196 0.33877 0.26021 -0.01684 0.02688  -0.01427 162 THR A CG2 
1147 N N   A GLU A 166 ? 0.42971 0.31266 0.26791 0.01046  0.02328  -0.03874 163 GLU A N   
1148 N N   B GLU A 166 ? 0.42961 0.31248 0.26738 0.01033  0.02318  -0.03900 163 GLU A N   
1149 C CA  A GLU A 166 ? 0.45013 0.30983 0.27088 0.02523  0.02215  -0.04914 163 GLU A CA  
1150 C CA  B GLU A 166 ? 0.48067 0.34021 0.30027 0.02491  0.02191  -0.04985 163 GLU A CA  
1151 C C   A GLU A 166 ? 0.48233 0.31692 0.30552 0.02531  0.01807  -0.04676 163 GLU A C   
1152 C C   B GLU A 166 ? 0.48452 0.31301 0.30327 0.02208  0.01584  -0.04957 163 GLU A C   
1153 O O   A GLU A 166 ? 0.43946 0.24987 0.24962 0.03856  0.01592  -0.05435 163 GLU A O   
1154 O O   B GLU A 166 ? 0.41648 0.24153 0.24510 0.00638  0.01224  -0.04229 163 GLU A O   
1155 C CB  A GLU A 166 ? 0.49530 0.33306 0.29372 0.02306  0.01489  -0.06344 163 GLU A CB  
1156 C CB  B GLU A 166 ? 0.49211 0.33720 0.28946 0.02511  0.01652  -0.06381 163 GLU A CB  
1157 C CG  A GLU A 166 ? 0.49363 0.35453 0.28384 0.02626  0.01800  -0.06691 163 GLU A CG  
1158 C CG  B GLU A 166 ? 0.49662 0.37041 0.28888 0.03054  0.02203  -0.06437 163 GLU A CG  
1159 C CD  A GLU A 166 ? 0.52487 0.36415 0.29219 0.02305  0.00850  -0.08235 163 GLU A CD  
1160 C CD  B GLU A 166 ? 0.52315 0.38208 0.29105 0.03069  0.01475  -0.07943 163 GLU A CD  
1161 O OE1 A GLU A 166 ? 0.52289 0.32708 0.28202 0.01711  -0.00073 -0.09042 163 GLU A OE1 
1162 O OE1 B GLU A 166 ? 0.55518 0.38103 0.30574 0.03618  0.00824  -0.09295 163 GLU A OE1 
1163 O OE2 A GLU A 166 ? 0.54812 0.40496 0.30513 0.02580  0.00939  -0.08598 163 GLU A OE2 
1164 O OE2 B GLU A 166 ? 0.51992 0.39870 0.28532 0.02554  0.01436  -0.07798 163 GLU A OE2 
1165 C C   . ACE B 1   ? 0.50301 0.60111 0.49177 -0.14119 -0.00843 -0.01224 1   ACE B C   
1166 O O   . ACE B 1   ? 0.44756 0.53435 0.43155 -0.13968 -0.00191 -0.00824 1   ACE B O   
1167 C CH3 . ACE B 1   ? 0.44658 0.57240 0.44743 -0.12805 -0.00902 -0.01446 1   ACE B CH3 
1168 N N   . MTY B 2   ? 0.44101 0.52429 0.42254 -0.15377 -0.01760 -0.01603 2   MTY B N   
1169 C CA  . MTY B 2   ? 0.54569 0.59602 0.51421 -0.16507 -0.01912 -0.01488 2   MTY B CA  
1170 C CB  . MTY B 2   ? 0.55670 0.59416 0.51941 -0.17813 -0.03093 -0.02139 2   MTY B CB  
1171 C CG  . MTY B 2   ? 0.58551 0.60600 0.53142 -0.16411 -0.03620 -0.03093 2   MTY B CG  
1172 C CD1 . MTY B 2   ? 0.57336 0.55404 0.49785 -0.16073 -0.03849 -0.03623 2   MTY B CD1 
1173 C CE1 . MTY B 2   ? 0.59963 0.56943 0.50779 -0.14723 -0.04178 -0.04464 2   MTY B CE1 
1174 C CD2 . MTY B 2   ? 0.56698 0.61291 0.51832 -0.15350 -0.03839 -0.03363 2   MTY B CD2 
1175 C CE2 . MTY B 2   ? 0.54667 0.57967 0.48103 -0.14136 -0.04230 -0.04023 2   MTY B CE2 
1176 C CZ  . MTY B 2   ? 0.55533 0.55203 0.46789 -0.13831 -0.04336 -0.04595 2   MTY B CZ  
1177 O OH  . MTY B 2   ? 0.56465 0.62198 0.50303 -0.13094 -0.04503 -0.04059 2   MTY B OH  
1178 C C   . MTY B 2   ? 0.45853 0.51793 0.43536 -0.17647 -0.01229 -0.00522 2   MTY B C   
1179 O O   . MTY B 2   ? 0.48912 0.57817 0.48149 -0.18374 -0.01083 -0.00099 2   MTY B O   
1180 C C   . YCP B 3   ? 0.48527 0.48960 0.44210 -0.18999 -0.00570 0.01394  3   YCP B C   
1181 N N   . YCP B 3   ? 0.51471 0.54571 0.47817 -0.17234 -0.00683 -0.00055 3   YCP B N   
1182 O O   . YCP B 3   ? 0.50399 0.48304 0.44936 -0.18876 -0.00386 0.01926  3   YCP B O   
1183 C CA  . YCP B 3   ? 0.45754 0.49396 0.42377 -0.17952 -0.00005 0.01008  3   YCP B CA  
1184 C CB  . YCP B 3   ? 0.49078 0.52149 0.44975 -0.16674 0.00774  0.01319  3   YCP B CB  
1185 C CD  . YCP B 3   ? 0.41827 0.41489 0.36193 -0.14509 0.00071  -0.00096 3   YCP B CD  
1186 C CE  . YCP B 3   ? 0.52660 0.52367 0.47235 -0.15828 -0.00759 -0.00521 3   YCP B CE  
1187 C CG  . YCP B 3   ? 0.47573 0.47229 0.41950 -0.15422 0.00526  0.00853  3   YCP B CG  
1188 N N   . TRP B 4   ? 0.50647 0.51185 0.46949 -0.20114 -0.01461 0.01048  4   TRP B N   
1189 C CA  . TRP B 4   ? 0.56252 0.53593 0.51838 -0.21187 -0.02122 0.01324  4   TRP B CA  
1190 C C   . TRP B 4   ? 0.50057 0.48400 0.46274 -0.21975 -0.01503 0.02719  4   TRP B C   
1191 O O   . TRP B 4   ? 0.54227 0.49607 0.49550 -0.22469 -0.01706 0.03314  4   TRP B O   
1192 C CB  . TRP B 4   ? 0.55100 0.52972 0.51502 -0.22241 -0.03136 0.00701  4   TRP B CB  
1193 C CG  . TRP B 4   ? 0.60295 0.57149 0.55756 -0.21437 -0.03895 -0.00751 4   TRP B CG  
1194 C CD1 . TRP B 4   ? 0.62310 0.62213 0.58793 -0.21307 -0.04285 -0.01404 4   TRP B CD1 
1195 C CD2 . TRP B 4   ? 0.64482 0.57314 0.57762 -0.20562 -0.04326 -0.01649 4   TRP B CD2 
1196 N NE1 . TRP B 4   ? 0.67206 0.65144 0.62101 -0.20472 -0.04928 -0.02586 4   TRP B NE1 
1197 C CE2 . TRP B 4   ? 0.65543 0.59245 0.58464 -0.19985 -0.04908 -0.02805 4   TRP B CE2 
1198 C CE3 . TRP B 4   ? 0.63872 0.52509 0.55398 -0.20065 -0.04278 -0.01576 4   TRP B CE3 
1199 C CZ2 . TRP B 4   ? 0.69043 0.59564 0.59678 -0.18882 -0.05365 -0.03987 4   TRP B CZ2 
1200 C CZ3 . TRP B 4   ? 0.67061 0.52550 0.56541 -0.18910 -0.04732 -0.02783 4   TRP B CZ3 
1201 C CH2 . TRP B 4   ? 0.71093 0.57593 0.60052 -0.18309 -0.05222 -0.04020 4   TRP B CH2 
1202 N N   . NH2 B 5   ? 0.53121 0.56094 0.50944 -0.21991 -0.00667 0.03295  5   NH2 B N   
1203 O O22 . P33 C .   ? 0.54544 0.57307 0.51076 -0.04409 -0.05183 -0.03735 201 P33 A O22 
1204 C C21 . P33 C .   ? 0.52954 0.56101 0.50345 -0.04677 -0.06523 -0.04226 201 P33 A C21 
1205 C C20 . P33 C .   ? 0.56553 0.58912 0.56440 -0.05384 -0.06820 -0.04151 201 P33 A C20 
1206 O O19 . P33 C .   ? 0.49849 0.53273 0.51546 -0.05898 -0.07522 -0.03454 201 P33 A O19 
1207 C C18 . P33 C .   ? 0.42826 0.47276 0.44732 -0.05581 -0.06709 -0.02133 201 P33 A C18 
1208 C C17 . P33 C .   ? 0.34607 0.40116 0.39321 -0.06213 -0.06910 -0.01218 201 P33 A C17 
1209 O O16 . P33 C .   ? 0.29545 0.34052 0.35088 -0.06579 -0.06168 -0.00912 201 P33 A O16 
1210 C C15 . P33 C .   ? 0.27255 0.32683 0.33791 -0.06415 -0.05161 0.00356  201 P33 A C15 
1211 C C14 . P33 C .   ? 0.29748 0.34292 0.37377 -0.07018 -0.04717 0.00699  201 P33 A C14 
1212 O O13 . P33 C .   ? 0.29855 0.32697 0.35707 -0.06647 -0.04314 -0.00016 201 P33 A O13 
1213 C C12 . P33 C .   ? 0.34620 0.36124 0.41203 -0.07189 -0.04713 -0.00344 201 P33 A C12 
1214 C C11 . P33 C .   ? 0.31733 0.32362 0.37532 -0.06814 -0.03720 -0.00076 201 P33 A C11 
1215 O O10 . P33 C .   ? 0.40419 0.40351 0.44346 -0.06176 -0.03593 -0.01099 201 P33 A O10 
1216 C C9  . P33 C .   ? 0.19434 0.20138 0.22109 -0.05709 -0.02867 -0.00819 201 P33 A C9  
1217 C C8  . P33 C .   ? 0.29512 0.29841 0.30375 -0.05208 -0.02245 -0.01352 201 P33 A C8  
1218 O O7  . P33 C .   ? 0.29535 0.30172 0.30013 -0.05092 -0.01390 -0.00474 201 P33 A O7  
1219 C C6  . P33 C .   ? 0.31102 0.31669 0.30044 -0.04877 -0.00809 -0.00527 201 P33 A C6  
1220 C C5  . P33 C .   ? 0.32845 0.33209 0.31837 -0.04835 -0.00135 0.00229  201 P33 A C5  
1221 O O4  . P33 C .   ? 0.40433 0.40945 0.39094 -0.04593 -0.00143 0.00659  201 P33 A O4  
1222 C C3  . P33 C .   ? 0.26092 0.27122 0.25850 -0.04406 -0.00099 0.01223  201 P33 A C3  
1223 C C2  . P33 C .   ? 0.33939 0.34604 0.33470 -0.04256 0.00628  0.01541  201 P33 A C2  
1224 O O1  . P33 C .   ? 0.36539 0.37664 0.36323 -0.03697 0.00886  0.02045  201 P33 A O1  
1225 S S1  . DTT D .   ? 0.64433 0.73339 0.69952 0.04853  -0.02154 -0.04692 202 DTT A S1  
1226 C C1  . DTT D .   ? 0.63856 0.73029 0.69336 0.06331  -0.01994 -0.06502 202 DTT A C1  
1227 C C2  . DTT D .   ? 0.58754 0.72053 0.65011 0.07450  -0.01439 -0.07386 202 DTT A C2  
1228 O O2  . DTT D .   ? 0.47952 0.62465 0.53487 0.07401  -0.00706 -0.08380 202 DTT A O2  
1229 C C3  . DTT D .   ? 0.71224 0.84351 0.78371 0.09855  -0.02150 -0.08162 202 DTT A C3  
1230 O O3  . DTT D .   ? 0.82828 0.91423 0.89402 0.10417  -0.03046 -0.08424 202 DTT A O3  
1231 C C4  . DTT D .   ? 0.74860 0.91292 0.82363 0.11433  -0.01527 -0.09667 202 DTT A C4  
1232 S S4  . DTT D .   ? 0.80196 1.03074 0.89050 0.10941  -0.00475 -0.09283 202 DTT A S4  
1233 S S   . SO4 E .   ? 0.74186 1.00627 0.80046 -0.16239 0.02196  0.01213  203 SO4 A S   
1234 O O1  . SO4 E .   ? 0.50541 0.79342 0.56739 -0.14601 0.03087  0.00875  203 SO4 A O1  
1235 O O2  . SO4 E .   ? 0.70854 0.93022 0.74749 -0.16993 0.02171  0.01665  203 SO4 A O2  
1236 O O3  . SO4 E .   ? 0.62363 0.88368 0.68594 -0.15901 0.01276  0.00454  203 SO4 A O3  
1237 O O4  . SO4 E .   ? 0.68138 0.96908 0.75212 -0.17400 0.02165  0.01854  203 SO4 A O4  
1238 S S   . SO4 F .   ? 1.10550 1.30483 1.14236 -0.15969 -0.03130 -0.01896 204 SO4 A S   
1239 O O1  . SO4 F .   ? 0.96134 1.13392 0.98269 -0.16920 -0.04188 -0.02458 204 SO4 A O1  
1240 O O2  . SO4 F .   ? 0.93911 1.12270 0.97146 -0.16614 -0.02181 -0.01344 204 SO4 A O2  
1241 O O3  . SO4 F .   ? 1.06120 1.30562 1.12220 -0.16446 -0.03306 -0.01693 204 SO4 A O3  
1242 O O4  . SO4 F .   ? 0.82470 1.01980 0.85617 -0.13687 -0.02862 -0.02038 204 SO4 A O4  
1243 S S   . SO4 G .   ? 1.11961 0.97707 0.98846 0.08482  0.02528  -0.01700 205 SO4 A S   
1244 O O1  . SO4 G .   ? 0.92119 0.74483 0.78130 0.07133  0.01644  -0.01379 205 SO4 A O1  
1245 O O2  . SO4 G .   ? 1.03350 0.87711 0.88396 0.09181  0.02715  -0.03026 205 SO4 A O2  
1246 O O3  . SO4 G .   ? 1.23662 1.10654 1.11432 0.10550  0.02683  -0.01408 205 SO4 A O3  
1247 O O4  . SO4 G .   ? 0.89323 0.78681 0.78012 0.07129  0.03010  -0.00970 205 SO4 A O4  
1248 O O   . HOH H .   ? 0.55163 0.90862 0.66683 -0.12691 -0.01532 -0.01382 301 HOH A O   
1249 O O   . HOH H .   ? 0.55124 0.31428 0.41425 -0.16642 -0.02496 0.01956  302 HOH A O   
1250 O O   . HOH H .   ? 0.39236 0.41031 0.38859 -0.02107 0.00527  0.02702  303 HOH A O   
1251 O O   . HOH H .   ? 0.51048 0.55467 0.50283 0.07916  -0.02151 -0.13626 304 HOH A O   
1252 O O   . HOH H .   ? 0.79492 0.34474 0.56974 -0.04365 -0.04255 0.00303  305 HOH A O   
1253 O O   . HOH H .   ? 0.42008 0.81043 0.56283 0.13916  0.00894  -0.09945 306 HOH A O   
1254 O O   . HOH H .   ? 0.60551 0.32818 0.38245 0.03333  -0.00375 -0.07163 307 HOH A O   
1255 O O   . HOH H .   ? 1.00957 0.68413 0.75563 -0.08404 -0.07211 -0.12306 308 HOH A O   
1256 O O   . HOH H .   ? 0.48217 0.77849 0.52698 0.13590  0.02974  -0.14327 309 HOH A O   
1257 O O   . HOH H .   ? 0.37622 0.33266 0.31513 -0.02153 0.00667  0.02645  310 HOH A O   
1258 O O   . HOH H .   ? 0.57367 0.54090 0.38128 -0.05574 -0.03382 -0.06511 311 HOH A O   
1259 O O   . HOH H .   ? 0.36696 0.64235 0.45888 0.03395  -0.06070 -0.00608 312 HOH A O   
1260 O O   . HOH H .   ? 0.37421 0.37938 0.35605 -0.04155 -0.01349 -0.03266 313 HOH A O   
1261 O O   . HOH H .   ? 0.31010 0.36877 0.27396 -0.07282 -0.00533 -0.01252 314 HOH A O   
1262 O O   . HOH H .   ? 0.60868 0.68603 0.47657 -0.00446 -0.08378 0.03025  315 HOH A O   
1263 O O   . HOH H .   ? 0.75953 0.85764 0.71376 0.08063  -0.00525 -0.15350 316 HOH A O   
1264 O O   . HOH H .   ? 0.40288 0.42670 0.39138 -0.02455 0.03259  0.03050  317 HOH A O   
1265 O O   . HOH H .   ? 0.29216 0.49691 0.49041 -0.08306 -0.08862 0.03926  318 HOH A O   
1266 O O   . HOH H .   ? 0.41424 0.51363 0.35127 0.02433  0.00428  -0.10883 319 HOH A O   
1267 O O   . HOH H .   ? 0.35685 0.35636 0.24533 -0.03689 0.01083  -0.00688 320 HOH A O   
1268 O O   . HOH H .   ? 0.57715 0.37658 0.46414 -0.20050 -0.01915 0.05716  321 HOH A O   
1269 O O   . HOH H .   ? 0.41110 0.49402 0.36000 -0.17435 0.03682  0.05746  322 HOH A O   
1270 O O   . HOH H .   ? 0.58396 0.89845 0.55177 -0.08662 0.08162  0.01006  323 HOH A O   
1271 O O   . HOH H .   ? 0.33426 0.87987 0.45279 -0.02204 0.07757  -0.03020 324 HOH A O   
1272 O O   . HOH H .   ? 0.30133 0.38662 0.33806 0.01037  -0.00953 -0.03470 325 HOH A O   
1273 O O   . HOH H .   ? 0.30505 0.78613 0.39763 -0.08829 0.07607  0.00387  326 HOH A O   
1274 O O   . HOH H .   ? 0.33566 0.78758 0.50862 0.11851  0.00526  -0.08034 327 HOH A O   
1275 O O   . HOH H .   ? 0.69509 0.53749 0.61966 -0.23519 -0.05039 0.00797  328 HOH A O   
1276 O O   . HOH H .   ? 0.53013 0.76318 0.54891 -0.06883 -0.06488 -0.01993 329 HOH A O   
1277 O O   . HOH H .   ? 0.41503 0.64687 0.36872 0.10810  0.03172  -0.16111 330 HOH A O   
1278 O O   . HOH H .   ? 0.73468 0.28406 0.51552 -0.08479 -0.05163 -0.00853 331 HOH A O   
1279 O O   . HOH H .   ? 0.34412 0.27520 0.27279 0.00222  0.00740  0.02941  332 HOH A O   
1280 O O   . HOH H .   ? 0.57678 0.39812 0.40859 -0.13140 -0.05246 -0.07160 333 HOH A O   
1281 O O   . HOH H .   ? 0.39111 0.32924 0.24660 -0.03479 0.00958  -0.03211 334 HOH A O   
1282 O O   . HOH H .   ? 0.37582 0.68815 0.39166 -0.13308 0.06840  0.03037  335 HOH A O   
1283 O O   . HOH H .   ? 0.34699 0.36911 0.36533 -0.05550 -0.04391 -0.01574 336 HOH A O   
1284 O O   . HOH H .   ? 0.32545 0.44218 0.28661 -0.02228 -0.04034 0.01454  337 HOH A O   
1285 O O   . HOH H .   ? 0.64465 0.75236 0.54163 -0.01994 -0.11644 -0.02347 338 HOH A O   
1286 O O   . HOH H .   ? 0.26605 0.39773 0.30549 -0.00629 -0.00327 -0.02956 339 HOH A O   
1287 O O   . HOH H .   ? 0.54529 0.47514 0.47700 0.03405  0.00146  0.03692  340 HOH A O   
1288 O O   . HOH H .   ? 0.53498 0.67840 0.58906 0.03338  -0.04283 0.00046  341 HOH A O   
1289 O O   . HOH H .   ? 0.55186 0.52303 0.63250 -0.12389 -0.20204 -0.12182 342 HOH A O   
1290 O O   . HOH H .   ? 0.49100 0.66469 0.53420 0.10499  0.00155  -0.11852 343 HOH A O   
1291 O O   . HOH H .   ? 0.55241 0.41008 0.44107 0.01646  -0.00333 0.04080  344 HOH A O   
1292 O O   . HOH H .   ? 0.33824 0.41243 0.18156 -0.02761 -0.03146 -0.00398 345 HOH A O   
1293 O O   . HOH H .   ? 0.40462 0.42087 0.36299 -0.04468 -0.01632 -0.01157 346 HOH A O   
1294 O O   . HOH H .   ? 0.30798 0.34155 0.33848 -0.05329 0.02441  0.06938  347 HOH A O   
1295 O O   . HOH H .   ? 0.39541 0.77570 0.39881 0.01261  0.07831  -0.06863 348 HOH A O   
1296 O O   . HOH H .   ? 0.53298 0.34399 0.40087 0.02132  0.00382  0.01392  349 HOH A O   
1297 O O   . HOH H .   ? 0.36742 0.36698 0.40901 0.02391  -0.03155 -0.01817 350 HOH A O   
1298 O O   . HOH H .   ? 0.59701 0.64904 0.50664 0.03161  -0.08023 0.07230  351 HOH A O   
1299 O O   . HOH H .   ? 0.37788 0.39991 0.39996 0.03040  -0.04817 0.04674  352 HOH A O   
1300 O O   . HOH H .   ? 0.37657 0.85577 0.46792 0.10835  0.06337  -0.10952 353 HOH A O   
1301 O O   . HOH H .   ? 0.31933 0.51836 0.47376 -0.05017 -0.08440 0.03660  354 HOH A O   
1302 O O   . HOH H .   ? 0.31982 0.57521 0.38243 -0.08522 -0.02799 -0.01999 355 HOH A O   
1303 O O   . HOH H .   ? 0.52272 0.49873 0.37938 -0.09210 -0.04202 -0.05895 356 HOH A O   
1304 O O   . HOH H .   ? 0.26627 0.48794 0.34371 0.01829  -0.00623 -0.03938 357 HOH A O   
1305 O O   . HOH H .   ? 0.26934 0.32783 0.35803 -0.06758 0.00352  0.05536  358 HOH A O   
1306 O O   . HOH H .   ? 0.51077 0.28418 0.35065 -0.06341 -0.00625 0.05853  359 HOH A O   
1307 O O   . HOH H .   ? 0.41192 0.34732 0.29095 -0.09915 0.01852  0.05091  360 HOH A O   
1308 O O   . HOH H .   ? 0.58198 0.84972 0.45113 0.04054  0.05557  -0.10659 361 HOH A O   
1309 O O   . HOH H .   ? 0.59999 0.59926 0.60193 -0.04013 0.00386  0.09363  362 HOH A O   
1310 O O   . HOH H .   ? 0.29348 0.38499 0.39359 -0.05851 -0.02405 0.03676  363 HOH A O   
1311 O O   . HOH H .   ? 0.45749 0.41718 0.46053 0.00004  -0.03925 -0.08198 364 HOH A O   
1312 O O   . HOH H .   ? 0.47574 0.45886 0.34864 -0.01975 -0.02733 0.05585  365 HOH A O   
1313 O O   . HOH H .   ? 0.56051 0.66951 0.52120 -0.05543 -0.18522 -0.09280 366 HOH A O   
1314 O O   . HOH H .   ? 0.32564 0.62330 0.41754 0.06231  0.01528  -0.07483 367 HOH A O   
1315 O O   . HOH H .   ? 0.40101 0.45701 0.41197 0.05848  -0.01507 -0.10502 368 HOH A O   
1316 O O   . HOH H .   ? 0.69962 0.43758 0.53565 -0.01167 -0.01238 0.04319  369 HOH A O   
1317 O O   . HOH H .   ? 0.35243 0.55332 0.32125 -0.08896 0.05510  -0.00071 370 HOH A O   
1318 O O   . HOH H .   ? 0.28876 0.82629 0.42711 0.02307  0.06257  -0.05489 371 HOH A O   
1319 O O   . HOH H .   ? 0.52840 0.42536 0.61010 -0.06563 -0.05465 0.01179  372 HOH A O   
1320 O O   . HOH H .   ? 0.29695 0.34928 0.36456 -0.05675 -0.01329 0.02902  373 HOH A O   
1321 O O   . HOH H .   ? 0.45108 0.46270 0.50955 -0.07492 -0.07578 -0.02936 374 HOH A O   
1322 O O   . HOH H .   ? 0.33778 1.01035 0.61560 -0.00852 -0.04948 -0.02079 375 HOH A O   
1323 O O   . HOH H .   ? 0.49712 0.82354 0.41584 -0.02026 0.08317  -0.03867 376 HOH A O   
1324 O O   . HOH H .   ? 0.41882 0.79053 0.40729 -0.10281 0.09086  0.02857  377 HOH A O   
1325 O O   . HOH H .   ? 0.54687 0.60879 0.60808 0.05993  -0.03801 -0.02633 378 HOH A O   
1326 O O   . HOH H .   ? 0.45075 0.46085 0.32706 -0.02025 0.02321  0.00291  379 HOH A O   
1327 O O   . HOH H .   ? 0.41550 0.43669 0.53988 -0.10797 0.00116  0.13427  380 HOH A O   
1328 O O   . HOH H .   ? 0.26605 0.77605 0.47070 0.09373  -0.00805 -0.06002 381 HOH A O   
1329 O O   . HOH H .   ? 0.47242 0.76744 0.55259 0.13406  0.01690  -0.12364 382 HOH A O   
1330 O O   . HOH H .   ? 0.39119 0.87288 0.54074 -0.16010 0.03761  0.02456  383 HOH A O   
1331 O O   . HOH H .   ? 0.46226 0.54063 0.51650 0.05428  -0.04916 0.00706  384 HOH A O   
1332 O O   . HOH H .   ? 0.33378 0.50065 0.32482 -0.03085 -0.05061 -0.00024 385 HOH A O   
1333 O O   . HOH H .   ? 0.46621 0.48485 0.46251 -0.02282 0.02142  0.02737  386 HOH A O   
1334 O O   . HOH H .   ? 0.55778 0.64246 0.59166 0.08265  -0.01563 -0.10427 387 HOH A O   
1335 O O   . HOH H .   ? 0.35933 0.44553 0.27401 -0.02618 -0.02982 0.01812  388 HOH A O   
1336 O O   . HOH H .   ? 0.54756 0.56239 0.35370 -0.02119 -0.03734 0.07076  389 HOH A O   
1337 O O   . HOH H .   ? 0.80562 0.59029 0.70107 -0.22052 -0.06733 -0.02153 390 HOH A O   
1338 O O   . HOH H .   ? 0.36240 0.39078 0.35652 -0.04070 0.02905  0.05123  391 HOH A O   
1339 O O   . HOH H .   ? 0.58815 0.56492 0.38379 -0.00461 0.01121  -0.04140 392 HOH A O   
1340 O O   . HOH H .   ? 0.43927 0.51732 0.30278 -0.01665 -0.02002 0.02710  393 HOH A O   
1341 O O   . HOH H .   ? 0.70122 0.86235 0.77747 0.15313  0.00401  0.05836  394 HOH A O   
1342 O O   . HOH H .   ? 0.37243 0.56384 0.46232 0.06501  -0.03960 -0.02414 395 HOH A O   
1343 O O   . HOH H .   ? 0.28799 0.84635 0.47170 -0.04205 0.03488  -0.02325 396 HOH A O   
1344 O O   . HOH H .   ? 0.66177 0.56857 0.71132 -0.02487 -0.04691 -0.01791 397 HOH A O   
1345 O O   . HOH H .   ? 0.80696 0.47445 0.52182 -0.04257 -0.06144 -0.13742 398 HOH A O   
1346 O O   . HOH H .   ? 0.47750 0.64735 0.47250 -0.06124 -0.04525 -0.01489 399 HOH A O   
1347 O O   . HOH H .   ? 0.52505 0.54529 0.48640 -0.01373 -0.01310 0.09456  400 HOH A O   
1348 O O   . HOH H .   ? 0.46805 0.71974 0.64035 -0.06306 -0.14824 0.01821  401 HOH A O   
1349 O O   . HOH H .   ? 0.74058 0.92522 0.77363 -0.06751 -0.21862 -0.06540 402 HOH A O   
1350 O O   . HOH H .   ? 0.67642 0.57451 0.71389 -0.01296 -0.05824 -0.05715 403 HOH A O   
1351 O O   . HOH H .   ? 0.45768 0.69021 0.60880 0.02648  -0.00037 0.06982  404 HOH A O   
1352 O O   . HOH H .   ? 0.60005 0.65670 0.53642 -0.03960 -0.09770 -0.06241 405 HOH A O   
1353 O O   . HOH H .   ? 0.40386 0.34466 0.44328 -0.01559 -0.03281 -0.01025 406 HOH A O   
1354 O O   . HOH H .   ? 0.66400 0.91200 0.82631 0.00643  -0.06342 0.06182  407 HOH A O   
1355 O O   . HOH H .   ? 0.46823 0.83100 0.62785 0.13045  -0.02206 -0.06920 408 HOH A O   
1356 O O   . HOH H .   ? 0.52099 0.60764 0.56465 0.00921  0.01861  0.04400  409 HOH A O   
1357 O O   . HOH H .   ? 0.64610 0.60643 0.64838 -0.08657 -0.19611 -0.15502 410 HOH A O   
1358 O O   . HOH H .   ? 0.44755 0.64548 0.35753 -0.00596 0.04463  -0.06809 411 HOH A O   
1359 O O   . HOH H .   ? 0.53968 0.40632 0.68754 -0.12032 -0.07399 0.07280  412 HOH A O   
1360 O O   . HOH H .   ? 0.56598 0.56577 0.45188 0.02297  0.05203  -0.00183 413 HOH A O   
1361 O O   . HOH H .   ? 0.59421 0.71205 0.77251 -0.15135 -0.20987 -0.06764 414 HOH A O   
1362 O O   . HOH H .   ? 0.51152 0.79411 0.49937 -0.10522 0.07051  0.01306  415 HOH A O   
1363 O O   . HOH H .   ? 0.70641 0.79499 0.49715 0.00816  -0.08130 -0.13293 416 HOH A O   
1364 O O   . HOH H .   ? 0.59128 0.62256 0.54818 -0.04572 -0.09879 -0.07787 417 HOH A O   
1365 O O   . HOH H .   ? 0.66708 0.61144 0.43246 -0.03743 -0.03276 -0.08160 418 HOH A O   
1366 O O   . HOH H .   ? 0.48834 0.75432 0.52954 -0.00864 -0.07787 -0.00005 419 HOH A O   
1367 O O   . HOH H .   ? 0.49924 0.76790 0.67879 0.02456  -0.02617 0.07291  420 HOH A O   
1368 O O   . HOH H .   ? 0.32340 0.52212 0.40856 0.05106  -0.02082 -0.04000 421 HOH A O   
1369 O O   . HOH H .   ? 0.86321 0.40348 0.62831 -0.12031 -0.09668 -0.10213 422 HOH A O   
1370 O O   . HOH H .   ? 0.44150 0.59821 0.37836 -0.13825 0.05762  0.04770  423 HOH A O   
1371 O O   . HOH H .   ? 0.45585 0.60081 0.59191 -0.05786 0.01015  0.07355  424 HOH A O   
1372 O O   . HOH H .   ? 0.39785 0.35288 0.42446 0.01559  -0.03720 -0.06251 425 HOH A O   
1373 O O   . HOH H .   ? 0.46077 0.42302 0.29515 -0.01296 0.01800  -0.03086 426 HOH A O   
1374 O O   . HOH H .   ? 0.33246 0.85607 0.50363 -0.10169 0.03140  -0.00236 427 HOH A O   
1375 O O   . HOH H .   ? 0.56224 0.34420 0.38735 -0.07875 -0.00641 0.08801  428 HOH A O   
1376 O O   . HOH H .   ? 0.76321 0.58688 0.57739 -0.02193 -0.02340 0.10918  429 HOH A O   
1377 O O   . HOH H .   ? 0.39802 0.36545 0.43707 0.01815  -0.03435 -0.03146 430 HOH A O   
1378 O O   . HOH H .   ? 0.29734 0.38832 0.43132 -0.08208 -0.02702 0.04787  431 HOH A O   
1379 O O   . HOH H .   ? 0.55071 0.58015 0.46123 0.04489  0.06352  0.00683  432 HOH A O   
1380 O O   . HOH H .   ? 0.62098 0.63830 0.67725 0.06147  -0.05184 0.00123  433 HOH A O   
1381 O O   . HOH H .   ? 0.78869 0.87139 0.63407 -0.01368 -0.07922 0.00506  434 HOH A O   
1382 O O   . HOH H .   ? 0.47218 0.45684 0.49089 0.04585  -0.03405 -0.09256 435 HOH A O   
1383 O O   . HOH H .   ? 0.80869 0.52730 0.69442 -0.23427 -0.08582 -0.02890 436 HOH A O   
1384 O O   . HOH H .   ? 0.59983 0.36834 0.43942 -0.02512 -0.01151 0.06064  437 HOH A O   
1385 O O   . HOH H .   ? 0.61488 0.88193 0.66487 -0.10112 -0.05981 -0.02561 438 HOH A O   
1386 O O   . HOH H .   ? 0.69533 0.54658 0.59918 -0.22244 -0.00650 0.08941  439 HOH A O   
1387 O O   . HOH H .   ? 0.68735 0.58177 0.50836 -0.13501 0.01876  0.12786  440 HOH A O   
1388 O O   . HOH H .   ? 0.51217 1.04276 0.71170 0.14801  0.01150  -0.08890 441 HOH A O   
1389 O O   . HOH H .   ? 0.33996 0.59521 0.59577 -0.13010 -0.17716 0.00219  442 HOH A O   
1390 O O   . HOH H .   ? 0.37048 0.38968 0.36569 -0.03835 0.02674  0.03280  443 HOH A O   
1391 O O   . HOH H .   ? 0.53763 0.83369 0.73007 -0.03339 -0.13269 0.04278  444 HOH A O   
1392 O O   . HOH H .   ? 0.78539 0.52600 0.63430 0.10862  -0.03189 0.06020  445 HOH A O   
1393 O O   . HOH H .   ? 0.54971 0.49847 0.37227 -0.11672 0.02380  0.10501  446 HOH A O   
1394 O O   . HOH H .   ? 0.58437 0.60824 0.38712 0.00543  0.02469  -0.01289 447 HOH A O   
1395 O O   . HOH I .   ? 0.57795 0.69202 0.57372 -0.15240 0.00836  0.00211  101 HOH B O   
1396 O O   . HOH I .   ? 0.60766 0.52529 0.54712 -0.23520 -0.01014 0.06442  102 HOH B O   
# 
