data_7HP6
# 
_entry.id   7HP6 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_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   7HP6         pdb_00007hp6 10.2210/pdb7hp6/pdb 
WWPDB D_1001407756 ?            ?                   
# 
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 2025-02-26 ? 
2 'Structure model' 1 1 2025-05-28 ? 
# 
_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               'Structure summary' 
# 
_pdbx_audit_revision_category.ordinal             1 
_pdbx_audit_revision_category.revision_ordinal    2 
_pdbx_audit_revision_category.data_content_type   'Structure model' 
_pdbx_audit_revision_category.category            pdbx_deposit_group 
# 
_pdbx_audit_revision_item.ordinal             1 
_pdbx_audit_revision_item.revision_ordinal    2 
_pdbx_audit_revision_item.data_content_type   'Structure model' 
_pdbx_audit_revision_item.item                '_pdbx_deposit_group.group_description' 
# 
_pdbx_database_status.entry_id                        7HP6 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-11-07 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           N 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.email              frankfurt.von-delft@diamond.ac.uk 
_pdbx_contact_author.name_first         Frank 
_pdbx_contact_author.name_last          'von Delft' 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-0378-0017 
_pdbx_contact_author.name_mi            ? 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Ni, X.'              1  
'Marples, P.G.'       2  
'Godoy, A.S.'         3  
'Koekemoer, L.'       4  
'Aschenbrenner, J.C.' 5  
'Balcomb, B.H.'       6  
'Fairhead, M.'        7  
'Lithgo, R.M.'        8  
'Lee, A.'             9  
'Kenton, N.'          10 
'Thompson, W.'        11 
'Tomlinson, C.W.E.'   12 
'Wild, C.'            13 
'Winokan, M.'         14 
'Williams, E.P.'      15 
'Chandran, A.V.'      16 
'Walsh, M.A.'         17 
'Fearon, D.'          18 
'von Delft, F.'       19 
# 
_citation.id                        primary 
_citation.title                     'PanDDA analysis group deposition' 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.year                      ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Ni, X.'              ? 1  
primary 'Marples, P.G.'       ? 2  
primary 'Godoy, A.S.'         ? 3  
primary 'Koekemoer, L.'       ? 4  
primary 'Aschenbrenner, J.C.' ? 5  
primary 'Balcomb, B.H.'       ? 6  
primary 'Fairhead, M.'        ? 7  
primary 'Lithgo, R.M.'        ? 8  
primary 'Lee, A.'             ? 9  
primary 'Kenton, N.'          ? 10 
primary 'Thompson, W.'        ? 11 
primary 'Tomlinson, C.W.E.'   ? 12 
primary 'Wild, C.'            ? 13 
primary 'Winokan, M.'         ? 14 
primary 'Williams, E.P.'      ? 15 
primary 'Chandran, A.V.'      ? 16 
primary 'Walsh, M.A.'         ? 17 
primary 'Fearon, D.'          ? 18 
primary 'von Delft, F.'       ? 19 
# 
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 'Serine protease subunit NS2B'                                               5067.486  1   ? ?    ? ? 
2 polymer     man 'Serine protease NS3'                                                        18117.629 1   
3.4.21.91,3.6.1.15,3.6.4.13 None ? ? 
3 non-polymer syn 'DIMETHYL SULFOXIDE'                                                         78.133    5   ? ?    ? ? 
4 non-polymer syn '(4R)-2-methyl-N-(3-methylpyridin-4-yl)imidazo[1,2-a]pyridine-7-carboxamide' 266.298   1   ? ?    ? ? 
5 non-polymer syn 'SULFATE ION'                                                                96.063    2   ? ?    ? ? 
6 water       nat water                                                                        18.015    100 ? ?    ? ? 
# 
loop_
_entity_name_com.entity_id 
_entity_name_com.name 
1 'Flavivirin protease NS2B regulatory subunit,Non-structural protein 2B' 
2 'Flavivirin protease NS3 catalytic subunit,Non-structural protein 3'    
# 
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 SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE SMGKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE A ? 
2 'polypeptide(L)' no no 
;MKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAW
DGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGK
REEETPVE
;
;MKEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAW
DGLSEVQLLAVPPGERAKNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGK
REEETPVE
;
B ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
3 'DIMETHYL SULFOXIDE'                                                         DMS   
4 '(4R)-2-methyl-N-(3-methylpyridin-4-yl)imidazo[1,2-a]pyridine-7-carboxamide' A1BG5 
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   SER n 
1 2   MET n 
1 3   GLY n 
1 4   LYS n 
1 5   SER n 
1 6   VAL n 
1 7   ASP n 
1 8   MET n 
1 9   TYR n 
1 10  ILE n 
1 11  GLU n 
1 12  ARG n 
1 13  ALA n 
1 14  GLY n 
1 15  ASP n 
1 16  ILE n 
1 17  THR n 
1 18  TRP n 
1 19  GLU n 
1 20  LYS n 
1 21  ASP n 
1 22  ALA n 
1 23  GLU n 
1 24  VAL n 
1 25  THR n 
1 26  GLY n 
1 27  ASN n 
1 28  SER n 
1 29  PRO n 
1 30  ARG n 
1 31  LEU n 
1 32  ASP n 
1 33  VAL n 
1 34  ALA n 
1 35  LEU n 
1 36  ASP n 
1 37  GLU n 
1 38  SER n 
1 39  GLY n 
1 40  ASP n 
1 41  PHE n 
1 42  SER n 
1 43  LEU n 
1 44  VAL n 
1 45  GLU n 
1 46  GLU n 
2 1   MET n 
2 2   LYS n 
2 3   GLU n 
2 4   VAL n 
2 5   LYS n 
2 6   LYS n 
2 7   GLY n 
2 8   GLU n 
2 9   THR n 
2 10  THR n 
2 11  ASP n 
2 12  GLY n 
2 13  VAL n 
2 14  TYR n 
2 15  ARG n 
2 16  VAL n 
2 17  MET n 
2 18  THR n 
2 19  ARG n 
2 20  ARG n 
2 21  LEU n 
2 22  LEU n 
2 23  GLY n 
2 24  SER n 
2 25  THR n 
2 26  GLN n 
2 27  VAL n 
2 28  GLY n 
2 29  VAL n 
2 30  GLY n 
2 31  VAL n 
2 32  MET n 
2 33  GLN n 
2 34  GLU n 
2 35  GLY n 
2 36  VAL n 
2 37  PHE n 
2 38  HIS n 
2 39  THR n 
2 40  MET n 
2 41  TRP n 
2 42  HIS n 
2 43  VAL n 
2 44  THR n 
2 45  LYS n 
2 46  GLY n 
2 47  ALA n 
2 48  ALA n 
2 49  LEU n 
2 50  ARG n 
2 51  SER n 
2 52  GLY n 
2 53  GLU n 
2 54  GLY n 
2 55  ARG n 
2 56  LEU n 
2 57  ASP n 
2 58  PRO n 
2 59  TYR n 
2 60  TRP n 
2 61  GLY n 
2 62  ASP n 
2 63  VAL n 
2 64  LYS n 
2 65  GLN n 
2 66  ASP n 
2 67  LEU n 
2 68  VAL n 
2 69  SER n 
2 70  TYR n 
2 71  CYS n 
2 72  GLY n 
2 73  PRO n 
2 74  TRP n 
2 75  LYS n 
2 76  LEU n 
2 77  ASP n 
2 78  ALA n 
2 79  ALA n 
2 80  TRP n 
2 81  ASP n 
2 82  GLY n 
2 83  LEU n 
2 84  SER n 
2 85  GLU n 
2 86  VAL n 
2 87  GLN n 
2 88  LEU n 
2 89  LEU n 
2 90  ALA n 
2 91  VAL n 
2 92  PRO n 
2 93  PRO n 
2 94  GLY n 
2 95  GLU n 
2 96  ARG n 
2 97  ALA n 
2 98  LYS n 
2 99  ASN n 
2 100 ILE n 
2 101 GLN n 
2 102 THR n 
2 103 LEU n 
2 104 PRO n 
2 105 GLY n 
2 106 ILE n 
2 107 PHE n 
2 108 LYS n 
2 109 THR n 
2 110 LYS n 
2 111 ASP n 
2 112 GLY n 
2 113 ASP n 
2 114 ILE n 
2 115 GLY n 
2 116 ALA n 
2 117 VAL n 
2 118 ALA n 
2 119 LEU n 
2 120 ASP n 
2 121 TYR n 
2 122 PRO n 
2 123 ALA n 
2 124 GLY n 
2 125 THR n 
2 126 SER n 
2 127 GLY n 
2 128 SER n 
2 129 PRO n 
2 130 ILE n 
2 131 LEU n 
2 132 ASP n 
2 133 LYS n 
2 134 CYS n 
2 135 GLY n 
2 136 ARG n 
2 137 VAL n 
2 138 ILE n 
2 139 GLY n 
2 140 LEU n 
2 141 TYR n 
2 142 GLY n 
2 143 ASN n 
2 144 GLY n 
2 145 VAL n 
2 146 VAL n 
2 147 ILE n 
2 148 LYS n 
2 149 ASN n 
2 150 GLY n 
2 151 SER n 
2 152 TYR n 
2 153 VAL n 
2 154 SER n 
2 155 ALA n 
2 156 ILE n 
2 157 THR n 
2 158 GLN n 
2 159 GLY n 
2 160 LYS n 
2 161 ARG n 
2 162 GLU n 
2 163 GLU n 
2 164 GLU n 
2 165 THR n 
2 166 PRO n 
2 167 VAL n 
2 168 GLU n 
# 
loop_
_entity_src_gen.entity_id 
_entity_src_gen.pdbx_src_id 
_entity_src_gen.pdbx_alt_source_flag 
_entity_src_gen.pdbx_seq_type 
_entity_src_gen.pdbx_beg_seq_num 
_entity_src_gen.pdbx_end_seq_num 
_entity_src_gen.gene_src_common_name 
_entity_src_gen.gene_src_genus 
_entity_src_gen.pdbx_gene_src_gene 
_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 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id 
_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 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id 
_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 
1 1 sample 'Biological sequence' 1 46  ? ? ? ? ? ? ? ? ? 'Zika virus' 64320 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? ? ? ? 
? ? ? ? ? ? ? ? ? ? ? ? ? 
2 1 sample 'Biological sequence' 1 168 ? ? ? ? ? ? ? ? ? 'Zika virus' 64320 ? ? ? ? ? ? ? ? 'Escherichia coli' 562 ? ? ? ? ? ? ? ? 
? ? ? ? ? ? ? ? ? ? ? ? ? 
# 
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 
A1BG5 non-polymer         . '(4R)-2-methyl-N-(3-methylpyridin-4-yl)imidazo[1,2-a]pyridine-7-carboxamide' ? 'C15 H14 N4 O'   
266.298 
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 
DMS   non-polymer         . 'DIMETHYL SULFOXIDE'                                                         ? 'C2 H6 O S'      78.133 
GLN   'L-peptide linking' y GLUTAMINE                                                                    ? 'C5 H10 N2 O3'   
146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'                                                              ? 'C5 H9 N O4'     
147.129 
GLY   'peptide linking'   y GLYCINE                                                                      ? 'C2 H5 N O2'     75.067 
HIS   'L-peptide linking' y HISTIDINE                                                                    ? 'C6 H10 N3 O2 1' 
156.162 
HOH   non-polymer         . WATER                                                                        ? 'H2 O'           18.015 
ILE   'L-peptide linking' y ISOLEUCINE                                                                   ? 'C6 H13 N O2'    
131.173 
LEU   'L-peptide linking' y LEUCINE                                                                      ? 'C6 H13 N O2'    
131.173 
LYS   'L-peptide linking' y LYSINE                                                                       ? 'C6 H15 N2 O2 1' 
147.195 
MET   'L-peptide linking' y METHIONINE                                                                   ? 'C5 H11 N O2 S'  
149.211 
PHE   'L-peptide linking' y PHENYLALANINE                                                                ? 'C9 H11 N O2'    
165.189 
PRO   'L-peptide linking' y PROLINE                                                                      ? 'C5 H9 N O2'     
115.130 
SER   'L-peptide linking' y SERINE                                                                       ? 'C3 H7 N O3'     
105.093 
SO4   non-polymer         . 'SULFATE ION'                                                                ? 'O4 S -2'        96.063 
THR   'L-peptide linking' y THREONINE                                                                    ? 'C4 H9 N O3'     
119.119 
TRP   'L-peptide linking' y TRYPTOPHAN                                                                   ? 'C11 H12 N2 O2'  
204.225 
TYR   'L-peptide linking' y TYROSINE                                                                     ? 'C9 H11 N O3'    
181.189 
VAL   'L-peptide linking' y VALINE                                                                       ? 'C5 H11 N O2'    
117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   SER 1   44  ?   ?   ?   A . n 
A 1 2   MET 2   45  ?   ?   ?   A . n 
A 1 3   GLY 3   46  ?   ?   ?   A . n 
A 1 4   LYS 4   47  ?   ?   ?   A . n 
A 1 5   SER 5   48  ?   ?   ?   A . n 
A 1 6   VAL 6   49  ?   ?   ?   A . n 
A 1 7   ASP 7   50  50  ASP ASP A . n 
A 1 8   MET 8   51  51  MET MET A . n 
A 1 9   TYR 9   52  52  TYR TYR A . n 
A 1 10  ILE 10  53  53  ILE ILE A . n 
A 1 11  GLU 11  54  54  GLU GLU A . n 
A 1 12  ARG 12  55  55  ARG ARG A . n 
A 1 13  ALA 13  56  56  ALA ALA A . n 
A 1 14  GLY 14  57  57  GLY GLY A . n 
A 1 15  ASP 15  58  58  ASP ASP A . n 
A 1 16  ILE 16  59  59  ILE ILE A . n 
A 1 17  THR 17  60  60  THR THR A . n 
A 1 18  TRP 18  61  61  TRP TRP A . n 
A 1 19  GLU 19  62  62  GLU GLU A . n 
A 1 20  LYS 20  63  63  LYS LYS A . n 
A 1 21  ASP 21  64  64  ASP ASP A . n 
A 1 22  ALA 22  65  65  ALA ALA A . n 
A 1 23  GLU 23  66  66  GLU GLU A . n 
A 1 24  VAL 24  67  67  VAL VAL A . n 
A 1 25  THR 25  68  68  THR THR A . n 
A 1 26  GLY 26  69  69  GLY GLY A . n 
A 1 27  ASN 27  70  70  ASN ASN A . n 
A 1 28  SER 28  71  71  SER SER A . n 
A 1 29  PRO 29  72  72  PRO PRO A . n 
A 1 30  ARG 30  73  73  ARG ARG A . n 
A 1 31  LEU 31  74  74  LEU LEU A . n 
A 1 32  ASP 32  75  75  ASP ASP A . n 
A 1 33  VAL 33  76  76  VAL VAL A . n 
A 1 34  ALA 34  77  77  ALA ALA A . n 
A 1 35  LEU 35  78  78  LEU LEU A . n 
A 1 36  ASP 36  79  79  ASP ASP A . n 
A 1 37  GLU 37  80  80  GLU GLU A . n 
A 1 38  SER 38  81  81  SER SER A . n 
A 1 39  GLY 39  82  82  GLY GLY A . n 
A 1 40  ASP 40  83  83  ASP ASP A . n 
A 1 41  PHE 41  84  84  PHE PHE A . n 
A 1 42  SER 42  85  85  SER SER A . n 
A 1 43  LEU 43  86  86  LEU LEU A . n 
A 1 44  VAL 44  87  87  VAL VAL A . n 
A 1 45  GLU 45  88  88  GLU GLU A . n 
A 1 46  GLU 46  89  ?   ?   ?   A . n 
B 2 1   MET 1   10  ?   ?   ?   B . n 
B 2 2   LYS 2   11  ?   ?   ?   B . n 
B 2 3   GLU 3   12  ?   ?   ?   B . n 
B 2 4   VAL 4   13  ?   ?   ?   B . n 
B 2 5   LYS 5   14  ?   ?   ?   B . n 
B 2 6   LYS 6   15  ?   ?   ?   B . n 
B 2 7   GLY 7   16  16  GLY GLY B . n 
B 2 8   GLU 8   17  17  GLU GLU B . n 
B 2 9   THR 9   18  18  THR THR B . n 
B 2 10  THR 10  19  19  THR THR B . n 
B 2 11  ASP 11  20  20  ASP ASP B . n 
B 2 12  GLY 12  21  21  GLY GLY B . n 
B 2 13  VAL 13  22  22  VAL VAL B . n 
B 2 14  TYR 14  23  23  TYR TYR B . n 
B 2 15  ARG 15  24  24  ARG ARG B . n 
B 2 16  VAL 16  25  25  VAL VAL B . n 
B 2 17  MET 17  26  26  MET MET B . n 
B 2 18  THR 18  27  27  THR THR B . n 
B 2 19  ARG 19  28  28  ARG ARG B . n 
B 2 20  ARG 20  29  29  ARG ARG B . n 
B 2 21  LEU 21  30  30  LEU LEU B . n 
B 2 22  LEU 22  31  31  LEU LEU B . n 
B 2 23  GLY 23  32  32  GLY GLY B . n 
B 2 24  SER 24  33  33  SER SER B . n 
B 2 25  THR 25  34  34  THR THR B . n 
B 2 26  GLN 26  35  35  GLN GLN B . n 
B 2 27  VAL 27  36  36  VAL VAL B . n 
B 2 28  GLY 28  37  37  GLY GLY B . n 
B 2 29  VAL 29  38  38  VAL VAL B . n 
B 2 30  GLY 30  39  39  GLY GLY B . n 
B 2 31  VAL 31  40  40  VAL VAL B . n 
B 2 32  MET 32  41  41  MET MET B . n 
B 2 33  GLN 33  42  42  GLN GLN B . n 
B 2 34  GLU 34  43  43  GLU GLU B . n 
B 2 35  GLY 35  44  44  GLY GLY B . n 
B 2 36  VAL 36  45  45  VAL VAL B . n 
B 2 37  PHE 37  46  46  PHE PHE B . n 
B 2 38  HIS 38  47  47  HIS HIS B . n 
B 2 39  THR 39  48  48  THR THR B . n 
B 2 40  MET 40  49  49  MET MET B . n 
B 2 41  TRP 41  50  50  TRP TRP B . n 
B 2 42  HIS 42  51  51  HIS HIS B . n 
B 2 43  VAL 43  52  52  VAL VAL B . n 
B 2 44  THR 44  53  53  THR THR B . n 
B 2 45  LYS 45  54  54  LYS LYS B . n 
B 2 46  GLY 46  55  55  GLY GLY B . n 
B 2 47  ALA 47  56  56  ALA ALA B . n 
B 2 48  ALA 48  57  57  ALA ALA B . n 
B 2 49  LEU 49  58  58  LEU LEU B . n 
B 2 50  ARG 50  59  59  ARG ARG B . n 
B 2 51  SER 51  60  60  SER SER B . n 
B 2 52  GLY 52  61  61  GLY GLY B . n 
B 2 53  GLU 53  62  62  GLU GLU B . n 
B 2 54  GLY 54  63  63  GLY GLY B . n 
B 2 55  ARG 55  64  64  ARG ARG B . n 
B 2 56  LEU 56  65  65  LEU LEU B . n 
B 2 57  ASP 57  66  66  ASP ASP B . n 
B 2 58  PRO 58  67  67  PRO PRO B . n 
B 2 59  TYR 59  68  68  TYR TYR B . n 
B 2 60  TRP 60  69  69  TRP TRP B . n 
B 2 61  GLY 61  70  70  GLY GLY B . n 
B 2 62  ASP 62  71  71  ASP ASP B . n 
B 2 63  VAL 63  72  72  VAL VAL B . n 
B 2 64  LYS 64  73  73  LYS LYS B . n 
B 2 65  GLN 65  74  74  GLN GLN B . n 
B 2 66  ASP 66  75  75  ASP ASP B . n 
B 2 67  LEU 67  76  76  LEU LEU B . n 
B 2 68  VAL 68  77  77  VAL VAL B . n 
B 2 69  SER 69  78  78  SER SER B . n 
B 2 70  TYR 70  79  79  TYR TYR B . n 
B 2 71  CYS 71  80  80  CYS CYS B . n 
B 2 72  GLY 72  81  81  GLY GLY B . n 
B 2 73  PRO 73  82  82  PRO PRO B . n 
B 2 74  TRP 74  83  83  TRP TRP B . n 
B 2 75  LYS 75  84  84  LYS LYS B . n 
B 2 76  LEU 76  85  85  LEU LEU B . n 
B 2 77  ASP 77  86  86  ASP ASP B . n 
B 2 78  ALA 78  87  87  ALA ALA B . n 
B 2 79  ALA 79  88  88  ALA ALA B . n 
B 2 80  TRP 80  89  89  TRP TRP B . n 
B 2 81  ASP 81  90  90  ASP ASP B . n 
B 2 82  GLY 82  91  91  GLY GLY B . n 
B 2 83  LEU 83  92  92  LEU LEU B . n 
B 2 84  SER 84  93  93  SER SER B . n 
B 2 85  GLU 85  94  94  GLU GLU B . n 
B 2 86  VAL 86  95  95  VAL VAL B . n 
B 2 87  GLN 87  96  96  GLN GLN B . n 
B 2 88  LEU 88  97  97  LEU LEU B . n 
B 2 89  LEU 89  98  98  LEU LEU B . n 
B 2 90  ALA 90  99  99  ALA ALA B . n 
B 2 91  VAL 91  100 100 VAL VAL B . n 
B 2 92  PRO 92  101 101 PRO PRO B . n 
B 2 93  PRO 93  102 102 PRO PRO B . n 
B 2 94  GLY 94  103 103 GLY GLY B . n 
B 2 95  GLU 95  104 104 GLU GLU B . n 
B 2 96  ARG 96  105 105 ARG ARG B . n 
B 2 97  ALA 97  106 106 ALA ALA B . n 
B 2 98  LYS 98  107 107 LYS LYS B . n 
B 2 99  ASN 99  108 108 ASN ASN B . n 
B 2 100 ILE 100 109 109 ILE ILE B . n 
B 2 101 GLN 101 110 110 GLN GLN B . n 
B 2 102 THR 102 111 111 THR THR B . n 
B 2 103 LEU 103 112 112 LEU LEU B . n 
B 2 104 PRO 104 113 113 PRO PRO B . n 
B 2 105 GLY 105 114 114 GLY GLY B . n 
B 2 106 ILE 106 115 115 ILE ILE B . n 
B 2 107 PHE 107 116 116 PHE PHE B . n 
B 2 108 LYS 108 117 117 LYS LYS B . n 
B 2 109 THR 109 118 118 THR THR B . n 
B 2 110 LYS 110 119 119 LYS LYS B . n 
B 2 111 ASP 111 120 120 ASP ASP B . n 
B 2 112 GLY 112 121 121 GLY GLY B . n 
B 2 113 ASP 113 122 122 ASP ASP B . n 
B 2 114 ILE 114 123 123 ILE ILE B . n 
B 2 115 GLY 115 124 124 GLY GLY B . n 
B 2 116 ALA 116 125 125 ALA ALA B . n 
B 2 117 VAL 117 126 126 VAL VAL B . n 
B 2 118 ALA 118 127 127 ALA ALA B . n 
B 2 119 LEU 119 128 128 LEU LEU B . n 
B 2 120 ASP 120 129 129 ASP ASP B . n 
B 2 121 TYR 121 130 130 TYR TYR B . n 
B 2 122 PRO 122 131 131 PRO PRO B . n 
B 2 123 ALA 123 132 132 ALA ALA B . n 
B 2 124 GLY 124 133 133 GLY GLY B . n 
B 2 125 THR 125 134 134 THR THR B . n 
B 2 126 SER 126 135 135 SER SER B . n 
B 2 127 GLY 127 136 136 GLY GLY B . n 
B 2 128 SER 128 137 137 SER SER B . n 
B 2 129 PRO 129 138 138 PRO PRO B . n 
B 2 130 ILE 130 139 139 ILE ILE B . n 
B 2 131 LEU 131 140 140 LEU LEU B . n 
B 2 132 ASP 132 141 141 ASP ASP B . n 
B 2 133 LYS 133 142 142 LYS LYS B . n 
B 2 134 CYS 134 143 143 CYS CYS B . n 
B 2 135 GLY 135 144 144 GLY GLY B . n 
B 2 136 ARG 136 145 145 ARG ARG B . n 
B 2 137 VAL 137 146 146 VAL VAL B . n 
B 2 138 ILE 138 147 147 ILE ILE B . n 
B 2 139 GLY 139 148 148 GLY GLY B . n 
B 2 140 LEU 140 149 149 LEU LEU B . n 
B 2 141 TYR 141 150 150 TYR TYR B . n 
B 2 142 GLY 142 151 151 GLY GLY B . n 
B 2 143 ASN 143 152 152 ASN ASN B . n 
B 2 144 GLY 144 153 153 GLY GLY B . n 
B 2 145 VAL 145 154 154 VAL VAL B . n 
B 2 146 VAL 146 155 155 VAL VAL B . n 
B 2 147 ILE 147 156 156 ILE ILE B . n 
B 2 148 LYS 148 157 157 LYS LYS B . n 
B 2 149 ASN 149 158 158 ASN ASN B . n 
B 2 150 GLY 150 159 159 GLY GLY B . n 
B 2 151 SER 151 160 160 SER SER B . n 
B 2 152 TYR 152 161 161 TYR TYR B . n 
B 2 153 VAL 153 162 162 VAL VAL B . n 
B 2 154 SER 154 163 163 SER SER B . n 
B 2 155 ALA 155 164 164 ALA ALA B . n 
B 2 156 ILE 156 165 165 ILE ILE B . n 
B 2 157 THR 157 166 166 THR THR B . n 
B 2 158 GLN 158 167 167 GLN GLN B . n 
B 2 159 GLY 159 168 168 GLY GLY B . n 
B 2 160 LYS 160 169 169 LYS LYS B . n 
B 2 161 ARG 161 170 170 ARG ARG B . n 
B 2 162 GLU 162 171 171 GLU GLU B . n 
B 2 163 GLU 163 172 ?   ?   ?   B . n 
B 2 164 GLU 164 173 ?   ?   ?   B . n 
B 2 165 THR 165 174 ?   ?   ?   B . n 
B 2 166 PRO 166 175 ?   ?   ?   B . n 
B 2 167 VAL 167 176 ?   ?   ?   B . n 
B 2 168 GLU 168 177 ?   ?   ?   B . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1BG5 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BG5 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
C 3 DMS   1  201 201 DMS   DMS B . 
D 3 DMS   1  202 202 DMS   DMS B . 
E 3 DMS   1  203 203 DMS   DMS B . 
F 4 A1BG5 1  204 301 A1BG5 LIG B . 
G 5 SO4   1  205 302 SO4   SO4 B . 
H 3 DMS   1  206 303 DMS   DMS B . 
I 3 DMS   1  207 304 DMS   DMS B . 
J 5 SO4   1  208 305 SO4   SO4 B . 
K 6 HOH   1  101 105 HOH   HOH A . 
K 6 HOH   2  102 34  HOH   HOH A . 
K 6 HOH   3  103 98  HOH   HOH A . 
K 6 HOH   4  104 65  HOH   HOH A . 
K 6 HOH   5  105 48  HOH   HOH A . 
K 6 HOH   6  106 129 HOH   HOH A . 
K 6 HOH   7  107 131 HOH   HOH A . 
K 6 HOH   8  108 70  HOH   HOH A . 
K 6 HOH   9  109 16  HOH   HOH A . 
K 6 HOH   10 110 121 HOH   HOH A . 
K 6 HOH   11 111 110 HOH   HOH A . 
K 6 HOH   12 112 118 HOH   HOH A . 
K 6 HOH   13 113 40  HOH   HOH A . 
K 6 HOH   14 114 49  HOH   HOH A . 
K 6 HOH   15 115 28  HOH   HOH A . 
K 6 HOH   16 116 29  HOH   HOH A . 
K 6 HOH   17 117 50  HOH   HOH A . 
K 6 HOH   18 118 120 HOH   HOH A . 
K 6 HOH   19 119 54  HOH   HOH A . 
K 6 HOH   20 120 119 HOH   HOH A . 
K 6 HOH   21 121 27  HOH   HOH A . 
K 6 HOH   22 122 83  HOH   HOH A . 
L 6 HOH   1  301 100 HOH   HOH B . 
L 6 HOH   2  302 57  HOH   HOH B . 
L 6 HOH   3  303 51  HOH   HOH B . 
L 6 HOH   4  304 130 HOH   HOH B . 
L 6 HOH   5  305 1   HOH   HOH B . 
L 6 HOH   6  306 11  HOH   HOH B . 
L 6 HOH   7  307 128 HOH   HOH B . 
L 6 HOH   8  308 106 HOH   HOH B . 
L 6 HOH   9  309 58  HOH   HOH B . 
L 6 HOH   10 310 79  HOH   HOH B . 
L 6 HOH   11 311 117 HOH   HOH B . 
L 6 HOH   12 312 5   HOH   HOH B . 
L 6 HOH   13 313 92  HOH   HOH B . 
L 6 HOH   14 314 89  HOH   HOH B . 
L 6 HOH   15 315 46  HOH   HOH B . 
L 6 HOH   16 316 90  HOH   HOH B . 
L 6 HOH   17 317 124 HOH   HOH B . 
L 6 HOH   18 318 81  HOH   HOH B . 
L 6 HOH   19 319 31  HOH   HOH B . 
L 6 HOH   20 320 125 HOH   HOH B . 
L 6 HOH   21 321 56  HOH   HOH B . 
L 6 HOH   22 322 66  HOH   HOH B . 
L 6 HOH   23 323 136 HOH   HOH B . 
L 6 HOH   24 324 23  HOH   HOH B . 
L 6 HOH   25 325 63  HOH   HOH B . 
L 6 HOH   26 326 69  HOH   HOH B . 
L 6 HOH   27 327 64  HOH   HOH B . 
L 6 HOH   28 328 4   HOH   HOH B . 
L 6 HOH   29 329 60  HOH   HOH B . 
L 6 HOH   30 330 30  HOH   HOH B . 
L 6 HOH   31 331 126 HOH   HOH B . 
L 6 HOH   32 332 107 HOH   HOH B . 
L 6 HOH   33 333 9   HOH   HOH B . 
L 6 HOH   34 334 32  HOH   HOH B . 
L 6 HOH   35 335 62  HOH   HOH B . 
L 6 HOH   36 336 12  HOH   HOH B . 
L 6 HOH   37 337 123 HOH   HOH B . 
L 6 HOH   38 338 24  HOH   HOH B . 
L 6 HOH   39 339 20  HOH   HOH B . 
L 6 HOH   40 340 17  HOH   HOH B . 
L 6 HOH   41 341 36  HOH   HOH B . 
L 6 HOH   42 342 103 HOH   HOH B . 
L 6 HOH   43 343 68  HOH   HOH B . 
L 6 HOH   44 344 13  HOH   HOH B . 
L 6 HOH   45 345 10  HOH   HOH B . 
L 6 HOH   46 346 115 HOH   HOH B . 
L 6 HOH   47 347 3   HOH   HOH B . 
L 6 HOH   48 348 2   HOH   HOH B . 
L 6 HOH   49 349 21  HOH   HOH B . 
L 6 HOH   50 350 14  HOH   HOH B . 
L 6 HOH   51 351 43  HOH   HOH B . 
L 6 HOH   52 352 108 HOH   HOH B . 
L 6 HOH   53 353 116 HOH   HOH B . 
L 6 HOH   54 354 109 HOH   HOH B . 
L 6 HOH   55 355 82  HOH   HOH B . 
L 6 HOH   56 356 18  HOH   HOH B . 
L 6 HOH   57 357 80  HOH   HOH B . 
L 6 HOH   58 358 35  HOH   HOH B . 
L 6 HOH   59 359 102 HOH   HOH B . 
L 6 HOH   60 360 134 HOH   HOH B . 
L 6 HOH   61 361 127 HOH   HOH B . 
L 6 HOH   62 362 67  HOH   HOH B . 
L 6 HOH   63 363 112 HOH   HOH B . 
L 6 HOH   64 364 73  HOH   HOH B . 
L 6 HOH   65 365 72  HOH   HOH B . 
L 6 HOH   66 366 77  HOH   HOH B . 
L 6 HOH   67 367 122 HOH   HOH B . 
L 6 HOH   68 368 42  HOH   HOH B . 
L 6 HOH   69 369 85  HOH   HOH B . 
L 6 HOH   70 370 87  HOH   HOH B . 
L 6 HOH   71 371 26  HOH   HOH B . 
L 6 HOH   72 372 61  HOH   HOH B . 
L 6 HOH   73 373 45  HOH   HOH B . 
L 6 HOH   74 374 59  HOH   HOH B . 
L 6 HOH   75 375 44  HOH   HOH B . 
L 6 HOH   76 376 39  HOH   HOH B . 
L 6 HOH   77 377 94  HOH   HOH B . 
L 6 HOH   78 378 75  HOH   HOH B . 
# 
loop_
_software.classification 
_software.name 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
refinement       REFMAC  5.8.0267 ? 1 
refinement       BUSTER  .        ? 2 
'data scaling'   Aimless .        ? 3 
phasing          PHASER  .        ? 4 
'data reduction' XDS     .        ? 5 
'data reduction' XDS     .        ? 6 
'data reduction' XDS     .        ? 7 
'data reduction' XDS     .        ? 8 
'data reduction' XDS     .        ? 9 
# 
_cell.entry_id           7HP6 
_cell.length_a           42.477 
_cell.length_b           42.477 
_cell.length_c           216.498 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        90.00 
_cell.Z_PDB              8 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.entry_id                         7HP6 
_symmetry.space_group_name_H-M             'P 43 2 2' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                95 
# 
_exptl.entry_id          7HP6 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      2.11 
_exptl_crystal.density_percent_sol   41.60 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              4.8 
_exptl_crystal_grow.temp            298 
_exptl_crystal_grow.pdbx_details    '30% w/v PEG 2000, 0.2M Ammonium sulfate, 0.1M acetate (pH 4.8)' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.ambient_temp           100 
_diffrn.crystal_id             1 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 XE 9M' 
_diffrn_detector.pdbx_collection_date   2023-10-05 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.92124 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'DIAMOND BEAMLINE I04-1' 
_diffrn_source.pdbx_wavelength_list        0.92124 
_diffrn_source.pdbx_synchrotron_site       Diamond 
_diffrn_source.pdbx_synchrotron_beamline   I04-1 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HP6 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.d_resolution_low             216.49 
_reflns.d_resolution_high            1.61 
_reflns.number_obs                   27079 
_reflns.percent_possible_obs         99.9 
_reflns.pdbx_Rmerge_I_obs            0.138 
_reflns.pdbx_netI_over_sigmaI        11.8 
_reflns.pdbx_redundancy              25.6 
_reflns.pdbx_Rrim_I_all              0.141 
_reflns.pdbx_Rpim_I_all              0.028 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_number_measured_all     692788 
_reflns.pdbx_chi_squared             0.32 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.number_all                   ? 
_reflns.pdbx_Rsym_value              ? 
_reflns.B_iso_Wilson_estimate        ? 
# 
_reflns_shell.pdbx_diffrn_id              1 
_reflns_shell.pdbx_ordinal                1 
_reflns_shell.d_res_high                  1.61 
_reflns_shell.d_res_low                   1.64 
_reflns_shell.number_measured_all         32747 
_reflns_shell.number_unique_obs           1312 
_reflns_shell.Rmerge_I_obs                ? 
_reflns_shell.pdbx_chi_squared            0.12 
_reflns_shell.pdbx_redundancy             25.0 
_reflns_shell.percent_possible_obs        98.8 
_reflns_shell.pdbx_netI_over_sigmaI_obs   0.2 
_reflns_shell.pdbx_Rrim_I_all             15.311 
_reflns_shell.pdbx_Rpim_I_all             3.041 
_reflns_shell.pdbx_CC_half                0.189 
_reflns_shell.percent_possible_all        ? 
_reflns_shell.pdbx_Rsym_value             ? 
_reflns_shell.meanI_over_sigI_obs         ? 
# 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.entry_id                                 7HP6 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.ls_number_reflns_obs                     23704 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_d_res_low                             54.12 
_refine.ls_d_res_high                            1.61 
_refine.ls_percent_reflns_obs                    92.78 
_refine.ls_R_factor_obs                          0.26686 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_work                       0.26517 
_refine.ls_R_factor_R_free                       0.29882 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_percent_reflns_R_free                 5.1 
_refine.ls_number_reflns_R_free                  1280 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.occupancy_min                            ? 
_refine.occupancy_max                            ? 
_refine.correlation_coeff_Fo_to_Fc               0.948 
_refine.correlation_coeff_Fo_to_Fc_free          0.935 
_refine.B_iso_mean                               49.482 
_refine.aniso_B[1][1]                            -1.10 
_refine.aniso_B[2][2]                            -1.10 
_refine.aniso_B[3][3]                            2.19 
_refine.aniso_B[1][2]                            0.00 
_refine.aniso_B[1][3]                            0.00 
_refine.aniso_B[2][3]                            0.00 
_refine.solvent_model_details                    MASK 
_refine.solvent_model_param_ksol                 ? 
_refine.solvent_model_param_bsol                 ? 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_overall_ESU_R                       0.186 
_refine.pdbx_overall_ESU_R_Free                  0.161 
_refine.overall_SU_ML                            0.334 
_refine.pdbx_overall_phase_error                 ? 
_refine.overall_SU_B                             24.948 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         1 
_refine_hist.pdbx_number_atoms_protein        1476 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         50 
_refine_hist.number_atoms_solvent             100 
_refine_hist.number_atoms_total               1626 
_refine_hist.d_res_high                       1.61 
_refine_hist.d_res_low                        54.12 
# 
loop_
_refine_ls_restr.type 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.number 
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.pdbx_restraint_function 
r_bond_refined_d             0.020  0.014  ? 2945 'X-RAY DIFFRACTION' ? 
r_bond_other_d               0.011  0.015  ? 2182 'X-RAY DIFFRACTION' ? 
r_angle_refined_deg          2.178  1.636  ? 3270 'X-RAY DIFFRACTION' ? 
r_angle_other_deg            1.436  1.582  ? 5063 'X-RAY DIFFRACTION' ? 
r_dihedral_angle_1_deg       8.588  5.000  ? 331  'X-RAY DIFFRACTION' ? 
r_dihedral_angle_2_deg       31.111 23.053 ? 95   'X-RAY DIFFRACTION' ? 
r_dihedral_angle_3_deg       15.887 15.000 ? 361  'X-RAY DIFFRACTION' ? 
r_dihedral_angle_4_deg       19.868 15.000 ? 10   'X-RAY DIFFRACTION' ? 
r_chiral_restr               0.087  0.200  ? 297  'X-RAY DIFFRACTION' ? 
r_gen_planes_refined         0.014  0.020  ? 2866 'X-RAY DIFFRACTION' ? 
r_gen_planes_other           0.007  0.020  ? 522  'X-RAY DIFFRACTION' ? 
r_nbd_refined                ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_nbd_other                  ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_nbtor_refined              ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_nbtor_other                ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_xyhbond_nbd_refined        ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_xyhbond_nbd_other          ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_metal_ion_refined          ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_metal_ion_other            ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_symmetry_vdw_refined       ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_symmetry_vdw_other         ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_symmetry_hbond_refined     ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_symmetry_hbond_other       ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_symmetry_metal_ion_refined ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_symmetry_metal_ion_other   ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_mcbond_it                  0.641  1.273  ? 1514 'X-RAY DIFFRACTION' ? 
r_mcbond_other               0.644  1.094  ? 1458 'X-RAY DIFFRACTION' ? 
r_mcangle_it                 1.296  1.642  ? 1569 'X-RAY DIFFRACTION' ? 
r_mcangle_other              1.295  1.645  ? 1570 'X-RAY DIFFRACTION' ? 
r_scbond_it                  0.532  1.345  ? 1431 'X-RAY DIFFRACTION' ? 
r_scbond_other               0.524  1.268  ? 1419 'X-RAY DIFFRACTION' ? 
r_scangle_it                 ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_scangle_other              0.988  1.778  ? 1690 'X-RAY DIFFRACTION' ? 
r_long_range_B_refined       11.394 12.553 ? 2618 'X-RAY DIFFRACTION' ? 
r_long_range_B_other         11.358 11.891 ? 2592 'X-RAY DIFFRACTION' ? 
r_rigid_bond_restr           ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_sphericity_free            ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_sphericity_bonded          ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.d_res_high                       1.611 
_refine_ls_shell.d_res_low                        1.653 
_refine_ls_shell.number_reflns_R_work             471 
_refine_ls_shell.R_factor_R_work                  0.538 
_refine_ls_shell.percent_reflns_obs               25.62 
_refine_ls_shell.R_factor_R_free                  0.499 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             24 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.R_factor_all                     ? 
# 
_struct.entry_id                  7HP6 
_struct.title                     
'PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014903-001' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HP6 
_struct_keywords.pdbx_keywords   'VIRAL PROTEIN' 
_struct_keywords.text            'SGC - Diamond I04-1, PanDDA, XChemExplorer, VIRAL PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 3 ? 
E N N 3 ? 
F N N 4 ? 
G N N 5 ? 
H N N 3 ? 
I N N 3 ? 
J N N 5 ? 
K N N 6 ? 
L 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 POLG_ZIKV Q32ZE1 ? 1 GKSVDMYIERAGDITWEKDAEVTGNSPRLDVALDESGDFSLVEE 1414 
2 UNP POLG_ZIKV Q32ZE1 ? 2 
;KEVKKGETTDGVYRVMTRRLLGSTQVGVGVMQEGVFHTMWHVTKGAALRSGEGRLDPYWGDVKQDLVSYCGPWKLDAAWD
GLSEVQLLAVPPGERARNIQTLPGIFKTKDGDIGAVALDYPAGTSGSPILDKCGRVIGLYGNGVVIKNGSYVSAITQGKR
EEETPVE
;
1509 
# 
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 7HP6 A 3 ? 46  ? Q32ZE1 1414 ? 1457 ? 46 89  
2 2 7HP6 B 2 ? 168 ? Q32ZE1 1509 ? 1675 ? 11 177 
# 
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 7HP6 SER A 1  ? UNP Q32ZE1 ?   ?    'expression tag'        44  1 
1 7HP6 MET A 2  ? UNP Q32ZE1 ?   ?    'expression tag'        45  2 
2 7HP6 MET B 1  ? UNP Q32ZE1 ?   ?    'initiating methionine' 10  3 
2 7HP6 LYS B 98 ? UNP Q32ZE1 ARG 1605 conflict                107 4 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              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)' 5920 ? 
1 MORE         -40  ? 
1 'SSA (A^2)'  9700 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I,J,K,L 
# 
_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 MET B 40  ? LYS B 45  ? MET B 49  LYS B 54  1 ? 6 
HELX_P HELX_P2 AA2 PRO B 122 ? SER B 126 ? PRO B 131 SER B 135 5 ? 5 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_conn.id                            disulf1 
_struct_conn.conn_type_id                  disulf 
_struct_conn.pdbx_leaving_atom_flag        ? 
_struct_conn.pdbx_PDB_id                   ? 
_struct_conn.ptnr1_label_asym_id           B 
_struct_conn.ptnr1_label_comp_id           CYS 
_struct_conn.ptnr1_label_seq_id            134 
_struct_conn.ptnr1_label_atom_id           SG 
_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                1_555 
_struct_conn.ptnr2_label_asym_id           B 
_struct_conn.ptnr2_label_comp_id           CYS 
_struct_conn.ptnr2_label_seq_id            134 
_struct_conn.ptnr2_label_atom_id           SG 
_struct_conn.pdbx_ptnr2_label_alt_id       ? 
_struct_conn.pdbx_ptnr2_PDB_ins_code       ? 
_struct_conn.ptnr1_auth_asym_id            B 
_struct_conn.ptnr1_auth_comp_id            CYS 
_struct_conn.ptnr1_auth_seq_id             143 
_struct_conn.ptnr2_auth_asym_id            B 
_struct_conn.ptnr2_auth_comp_id            CYS 
_struct_conn.ptnr2_auth_seq_id             143 
_struct_conn.ptnr2_symmetry                8_444 
_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               2.284 
_struct_conn.pdbx_value_order              ? 
_struct_conn.pdbx_role                     ? 
# 
_struct_conn_type.id          disulf 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
_pdbx_modification_feature.ordinal                            1 
_pdbx_modification_feature.label_comp_id                      CYS 
_pdbx_modification_feature.label_asym_id                      B 
_pdbx_modification_feature.label_seq_id                       134 
_pdbx_modification_feature.label_alt_id                       ? 
_pdbx_modification_feature.modified_residue_label_comp_id     CYS 
_pdbx_modification_feature.modified_residue_label_asym_id     B 
_pdbx_modification_feature.modified_residue_label_seq_id      134 
_pdbx_modification_feature.modified_residue_label_alt_id      ? 
_pdbx_modification_feature.auth_comp_id                       CYS 
_pdbx_modification_feature.auth_asym_id                       B 
_pdbx_modification_feature.auth_seq_id                        143 
_pdbx_modification_feature.PDB_ins_code                       ? 
_pdbx_modification_feature.symmetry                           1_555 
_pdbx_modification_feature.modified_residue_auth_comp_id      CYS 
_pdbx_modification_feature.modified_residue_auth_asym_id      B 
_pdbx_modification_feature.modified_residue_auth_seq_id       143 
_pdbx_modification_feature.modified_residue_PDB_ins_code      ? 
_pdbx_modification_feature.modified_residue_symmetry          8_444 
_pdbx_modification_feature.comp_id_linking_atom               SG 
_pdbx_modification_feature.modified_residue_id_linking_atom   SG 
_pdbx_modification_feature.modified_residue_id                . 
_pdbx_modification_feature.ref_pcm_id                         . 
_pdbx_modification_feature.ref_comp_id                        . 
_pdbx_modification_feature.type                               None 
_pdbx_modification_feature.category                           'Disulfide bridge' 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 8  ? 
AA2 ? 10 ? 
# 
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  ? parallel      
AA1 3 4  ? anti-parallel 
AA1 4 5  ? anti-parallel 
AA1 5 6  ? anti-parallel 
AA1 6 7  ? anti-parallel 
AA1 7 8  ? anti-parallel 
AA2 1 2  ? parallel      
AA2 2 3  ? anti-parallel 
AA2 3 4  ? anti-parallel 
AA2 4 5  ? anti-parallel 
AA2 5 6  ? anti-parallel 
AA2 6 7  ? anti-parallel 
AA2 7 8  ? anti-parallel 
AA2 8 9  ? parallel      
AA2 9 10 ? 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  GLY B 54  ? LEU B 56  ? GLY B 63  LEU B 65  
AA1 2  LEU B 49  ? SER B 51  ? LEU B 58  SER B 60  
AA1 3  MET A 8   ? GLY A 14  ? MET A 51  GLY A 57  
AA1 4  GLY B 12  ? THR B 18  ? GLY B 21  THR B 27  
AA1 5  THR B 25  ? GLN B 33  ? THR B 34  GLN B 42  
AA1 6  VAL B 36  ? THR B 39  ? VAL B 45  THR B 48  
AA1 7  LEU B 67  ? TYR B 70  ? LEU B 76  TYR B 79  
AA1 8  PRO B 58  ? ASP B 62  ? PRO B 67  ASP B 71  
AA2 1  GLU A 23  ? VAL A 24  ? GLU A 66  VAL A 67  
AA2 2  LYS B 98  ? THR B 102 ? LYS B 107 THR B 111 
AA2 3  VAL B 86  ? ALA B 90  ? VAL B 95  ALA B 99  
AA2 4  PRO B 129 ? LEU B 131 ? PRO B 138 LEU B 140 
AA2 5  VAL B 137 ? VAL B 146 ? VAL B 146 VAL B 155 
AA2 6  TYR B 152 ? THR B 157 ? TYR B 161 THR B 166 
AA2 7  GLY B 112 ? VAL B 117 ? GLY B 121 VAL B 126 
AA2 8  GLY B 105 ? THR B 109 ? GLY B 114 THR B 118 
AA2 9  ARG A 30  ? LEU A 35  ? ARG A 73  LEU A 78  
AA2 10 PHE A 41  ? LEU A 43  ? PHE A 84  LEU A 86  
# 
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  O LEU B 56  ? O LEU B 65  N LEU B 49  ? N LEU B 58  
AA1 2 3  O ARG B 50  ? O ARG B 59  N ILE A 10  ? N ILE A 53  
AA1 3 4  N GLU A 11  ? N GLU A 54  O ARG B 15  ? O ARG B 24  
AA1 4 5  N VAL B 16  ? N VAL B 25  O GLY B 28  ? O GLY B 37  
AA1 5 6  N VAL B 31  ? N VAL B 40  O HIS B 38  ? O HIS B 47  
AA1 6 7  N PHE B 37  ? N PHE B 46  O TYR B 70  ? O TYR B 79  
AA1 7 8  O SER B 69  ? O SER B 78  N TRP B 60  ? N TRP B 69  
AA2 1 2  N GLU A 23  ? N GLU A 66  O GLN B 101 ? O GLN B 110 
AA2 2 3  O THR B 102 ? O THR B 111 N VAL B 86  ? N VAL B 95  
AA2 3 4  N LEU B 89  ? N LEU B 98  O PRO B 129 ? O PRO B 138 
AA2 4 5  N ILE B 130 ? N ILE B 139 O GLY B 139 ? O GLY B 148 
AA2 5 6  N LEU B 140 ? N LEU B 149 O THR B 157 ? O THR B 166 
AA2 6 7  O SER B 154 ? O SER B 163 N VAL B 117 ? N VAL B 126 
AA2 7 8  O ILE B 114 ? O ILE B 123 N PHE B 107 ? N PHE B 116 
AA2 8 9  O LYS B 108 ? O LYS B 117 N VAL A 33  ? N VAL A 76  
AA2 9 10 N ALA A 34  ? N ALA A 77  O SER A 42  ? O SER A 85  
# 
_pdbx_entry_details.entry_id                   7HP6 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   OD2 
_pdbx_validate_close_contact.auth_asym_id_1   B 
_pdbx_validate_close_contact.auth_comp_id_1   ASP 
_pdbx_validate_close_contact.auth_seq_id_1    90 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   OG 
_pdbx_validate_close_contact.auth_asym_id_2   B 
_pdbx_validate_close_contact.auth_comp_id_2   SER 
_pdbx_validate_close_contact.auth_seq_id_2    93 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             2.07 
# 
loop_
_pdbx_validate_rmsd_bond.id 
_pdbx_validate_rmsd_bond.PDB_model_num 
_pdbx_validate_rmsd_bond.auth_atom_id_1 
_pdbx_validate_rmsd_bond.auth_asym_id_1 
_pdbx_validate_rmsd_bond.auth_comp_id_1 
_pdbx_validate_rmsd_bond.auth_seq_id_1 
_pdbx_validate_rmsd_bond.PDB_ins_code_1 
_pdbx_validate_rmsd_bond.label_alt_id_1 
_pdbx_validate_rmsd_bond.auth_atom_id_2 
_pdbx_validate_rmsd_bond.auth_asym_id_2 
_pdbx_validate_rmsd_bond.auth_comp_id_2 
_pdbx_validate_rmsd_bond.auth_seq_id_2 
_pdbx_validate_rmsd_bond.PDB_ins_code_2 
_pdbx_validate_rmsd_bond.label_alt_id_2 
_pdbx_validate_rmsd_bond.bond_value 
_pdbx_validate_rmsd_bond.bond_target_value 
_pdbx_validate_rmsd_bond.bond_deviation 
_pdbx_validate_rmsd_bond.bond_standard_deviation 
_pdbx_validate_rmsd_bond.linker_flag 
1  1 CD  A GLU 66  ? C OE2 A GLU 66  ? C 1.329 1.252 0.077  0.011 N 
2  1 CD  A GLU 66  ? D OE2 A GLU 66  ? D 1.329 1.252 0.077  0.011 N 
3  1 CD  B GLU 94  ? C OE2 B GLU 94  ? C 1.358 1.252 0.106  0.011 N 
4  1 CD  B GLU 94  ? D OE2 B GLU 94  ? D 1.359 1.252 0.107  0.011 N 
5  1 CD  B GLU 104 ? ? OE1 B GLU 104 ? ? 1.324 1.252 0.072  0.011 N 
6  1 CG  B GLN 110 ? ? CD  B GLN 110 ? ? 1.719 1.506 0.213  0.023 N 
7  1 CA  B SER 135 ? ? CB  B SER 135 ? ? 1.409 1.525 -0.116 0.015 N 
8  1 CE1 B TYR 150 ? A CZ  B TYR 150 ? A 1.468 1.381 0.087  0.013 N 
9  1 CE1 B TYR 150 ? B CZ  B TYR 150 ? B 1.466 1.381 0.085  0.013 N 
10 1 CE1 B TYR 150 ? C CZ  B TYR 150 ? C 1.463 1.381 0.082  0.013 N 
11 1 CE1 B TYR 150 ? D CZ  B TYR 150 ? D 1.465 1.381 0.084  0.013 N 
12 1 C   B THR 166 ? C N   B GLN 167 ? ? 1.482 1.336 0.146  0.023 Y 
13 1 C   B THR 166 ? D N   B GLN 167 ? ? 1.483 1.336 0.147  0.023 Y 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 CB A ALA 65 ? A CA A ALA 65 ? A C A ALA 65 ? A 119.84 110.10 9.74 1.50 N 
2 1 CB A ALA 65 ? B CA A ALA 65 ? B C A ALA 65 ? B 119.84 110.10 9.74 1.50 N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1  1 ASP A 64  ? C 79.13   41.05  
2  1 ASP A 64  ? D 79.13   41.05  
3  1 ASP B 20  ? ? -39.90  143.69 
4  1 CYS B 80  ? ? 86.52   -10.39 
5  1 ALA B 127 ? ? -112.46 70.53  
6  1 ALA B 127 ? ? -107.00 70.53  
7  1 ALA B 127 ? ? -112.34 70.53  
8  1 ALA B 127 ? ? -106.84 70.53  
9  1 LYS B 157 ? A -36.45  -31.49 
10 1 LYS B 157 ? B -36.48  -31.47 
11 1 LYS B 157 ? C -36.08  -34.49 
12 1 LYS B 157 ? D -36.03  -34.58 
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 B HOH 360 ? L HOH . 
2 1 B HOH 368 ? L HOH . 
3 1 B HOH 373 ? L HOH . 
4 1 B HOH 375 ? L HOH . 
5 1 B HOH 376 ? L HOH . 
# 
loop_
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][3] 
'X-RAY DIFFRACTION' 1 ? refined -13.4199 -1.8759 -19.2400 0.4606 0.4179 0.1139 0.2326 0.1466 0.1059  3.0508 3.7718 2.0182 -1.1446 
-0.4047 0.7637 0.5688 0.2852 0.4552 -0.4881 -0.4170 -0.5398 -0.0659 0.2930 -0.1517 
'X-RAY DIFFRACTION' 2 ? refined -18.8047 1.0969  -15.6974 0.5913 0.5654 0.1515 0.1389 0.0855 -0.0085 0.9653 1.1025 1.3351 -0.8407 
0.1992  0.2868 0.3212 0.1797 0.1240 -0.1656 -0.3588 0.0275  0.1293  0.1057 0.0376  
# 
loop_
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
'X-RAY DIFFRACTION' 1 1 A 50 ? ? A 88  ? ? ? ? 
'X-RAY DIFFRACTION' 2 2 B 16 ? ? B 305 ? ? ? ? 
# 
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 SER 44  ? A SER 1   
2  1 Y 1 A MET 45  ? A MET 2   
3  1 Y 1 A GLY 46  ? A GLY 3   
4  1 Y 1 A LYS 47  ? A LYS 4   
5  1 Y 1 A SER 48  ? A SER 5   
6  1 Y 1 A VAL 49  ? A VAL 6   
7  1 Y 1 A GLU 89  ? A GLU 46  
8  1 Y 1 B MET 10  ? B MET 1   
9  1 Y 1 B LYS 11  ? B LYS 2   
10 1 Y 1 B GLU 12  ? B GLU 3   
11 1 Y 1 B VAL 13  ? B VAL 4   
12 1 Y 1 B LYS 14  ? B LYS 5   
13 1 Y 1 B LYS 15  ? B LYS 6   
14 1 Y 1 B GLU 172 ? B GLU 163 
15 1 Y 1 B GLU 173 ? B GLU 164 
16 1 Y 1 B THR 174 ? B THR 165 
17 1 Y 1 B PRO 175 ? B PRO 166 
18 1 Y 1 B VAL 176 ? B VAL 167 
19 1 Y 1 B GLU 177 ? B GLU 168 
# 
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 
A1BG5 N1   N Y N 1   
A1BG5 N3   N Y N 2   
A1BG5 C4   C Y N 3   
A1BG5 C5   C Y N 4   
A1BG5 C6   C Y N 5   
A1BG5 C7   C N N 6   
A1BG5 C8   C Y N 7   
A1BG5 C10  C Y N 8   
A1BG5 C13  C N N 9   
A1BG5 C15  C Y N 10  
A1BG5 C1   C N N 11  
A1BG5 C2   C Y N 12  
A1BG5 C3   C Y N 13  
A1BG5 O1   O N N 14  
A1BG5 N2   N N N 15  
A1BG5 C9   C Y N 16  
A1BG5 C11  C Y N 17  
A1BG5 C12  C Y N 18  
A1BG5 C14  C Y N 19  
A1BG5 N4   N Y N 20  
A1BG5 H5   H N N 21  
A1BG5 H6   H N N 22  
A1BG5 H9   H N N 23  
A1BG5 H13  H N N 24  
A1BG5 H12  H N N 25  
A1BG5 H11  H N N 26  
A1BG5 H2   H N N 27  
A1BG5 H1   H N N 28  
A1BG5 H3   H N N 29  
A1BG5 H4   H N N 30  
A1BG5 H7   H N N 31  
A1BG5 H8   H N N 32  
A1BG5 H10  H N N 33  
A1BG5 H14  H N N 34  
ALA   N    N N N 35  
ALA   CA   C N S 36  
ALA   C    C N N 37  
ALA   O    O N N 38  
ALA   CB   C N N 39  
ALA   OXT  O N N 40  
ALA   H    H N N 41  
ALA   H2   H N N 42  
ALA   HA   H N N 43  
ALA   HB1  H N N 44  
ALA   HB2  H N N 45  
ALA   HB3  H N N 46  
ALA   HXT  H N N 47  
ARG   N    N N N 48  
ARG   CA   C N S 49  
ARG   C    C N N 50  
ARG   O    O N N 51  
ARG   CB   C N N 52  
ARG   CG   C N N 53  
ARG   CD   C N N 54  
ARG   NE   N N N 55  
ARG   CZ   C N N 56  
ARG   NH1  N N N 57  
ARG   NH2  N N N 58  
ARG   OXT  O N N 59  
ARG   H    H N N 60  
ARG   H2   H N N 61  
ARG   HA   H N N 62  
ARG   HB2  H N N 63  
ARG   HB3  H N N 64  
ARG   HG2  H N N 65  
ARG   HG3  H N N 66  
ARG   HD2  H N N 67  
ARG   HD3  H N N 68  
ARG   HE   H N N 69  
ARG   HH11 H N N 70  
ARG   HH12 H N N 71  
ARG   HH21 H N N 72  
ARG   HH22 H N N 73  
ARG   HXT  H N N 74  
ASN   N    N N N 75  
ASN   CA   C N S 76  
ASN   C    C N N 77  
ASN   O    O N N 78  
ASN   CB   C N N 79  
ASN   CG   C N N 80  
ASN   OD1  O N N 81  
ASN   ND2  N N N 82  
ASN   OXT  O N N 83  
ASN   H    H N N 84  
ASN   H2   H N N 85  
ASN   HA   H N N 86  
ASN   HB2  H N N 87  
ASN   HB3  H N N 88  
ASN   HD21 H N N 89  
ASN   HD22 H N N 90  
ASN   HXT  H N N 91  
ASP   N    N N N 92  
ASP   CA   C N S 93  
ASP   C    C N N 94  
ASP   O    O N N 95  
ASP   CB   C N N 96  
ASP   CG   C N N 97  
ASP   OD1  O N N 98  
ASP   OD2  O N N 99  
ASP   OXT  O N N 100 
ASP   H    H N N 101 
ASP   H2   H N N 102 
ASP   HA   H N N 103 
ASP   HB2  H N N 104 
ASP   HB3  H N N 105 
ASP   HD2  H N N 106 
ASP   HXT  H N N 107 
CYS   N    N N N 108 
CYS   CA   C N R 109 
CYS   C    C N N 110 
CYS   O    O N N 111 
CYS   CB   C N N 112 
CYS   SG   S N N 113 
CYS   OXT  O N N 114 
CYS   H    H N N 115 
CYS   H2   H N N 116 
CYS   HA   H N N 117 
CYS   HB2  H N N 118 
CYS   HB3  H N N 119 
CYS   HG   H N N 120 
CYS   HXT  H N N 121 
DMS   S    S N N 122 
DMS   O    O N N 123 
DMS   C1   C N N 124 
DMS   C2   C N N 125 
DMS   H11  H N N 126 
DMS   H12  H N N 127 
DMS   H13  H N N 128 
DMS   H21  H N N 129 
DMS   H22  H N N 130 
DMS   H23  H N N 131 
GLN   N    N N N 132 
GLN   CA   C N S 133 
GLN   C    C N N 134 
GLN   O    O N N 135 
GLN   CB   C N N 136 
GLN   CG   C N N 137 
GLN   CD   C N N 138 
GLN   OE1  O N N 139 
GLN   NE2  N N N 140 
GLN   OXT  O N N 141 
GLN   H    H N N 142 
GLN   H2   H N N 143 
GLN   HA   H N N 144 
GLN   HB2  H N N 145 
GLN   HB3  H N N 146 
GLN   HG2  H N N 147 
GLN   HG3  H N N 148 
GLN   HE21 H N N 149 
GLN   HE22 H N N 150 
GLN   HXT  H N N 151 
GLU   N    N N N 152 
GLU   CA   C N S 153 
GLU   C    C N N 154 
GLU   O    O N N 155 
GLU   CB   C N N 156 
GLU   CG   C N N 157 
GLU   CD   C N N 158 
GLU   OE1  O N N 159 
GLU   OE2  O N N 160 
GLU   OXT  O N N 161 
GLU   H    H N N 162 
GLU   H2   H N N 163 
GLU   HA   H N N 164 
GLU   HB2  H N N 165 
GLU   HB3  H N N 166 
GLU   HG2  H N N 167 
GLU   HG3  H N N 168 
GLU   HE2  H N N 169 
GLU   HXT  H N N 170 
GLY   N    N N N 171 
GLY   CA   C N N 172 
GLY   C    C N N 173 
GLY   O    O N N 174 
GLY   OXT  O N N 175 
GLY   H    H N N 176 
GLY   H2   H N N 177 
GLY   HA2  H N N 178 
GLY   HA3  H N N 179 
GLY   HXT  H N N 180 
HIS   N    N N N 181 
HIS   CA   C N S 182 
HIS   C    C N N 183 
HIS   O    O N N 184 
HIS   CB   C N N 185 
HIS   CG   C Y N 186 
HIS   ND1  N Y N 187 
HIS   CD2  C Y N 188 
HIS   CE1  C Y N 189 
HIS   NE2  N Y N 190 
HIS   OXT  O N N 191 
HIS   H    H N N 192 
HIS   H2   H N N 193 
HIS   HA   H N N 194 
HIS   HB2  H N N 195 
HIS   HB3  H N N 196 
HIS   HD1  H N N 197 
HIS   HD2  H N N 198 
HIS   HE1  H N N 199 
HIS   HE2  H N N 200 
HIS   HXT  H N N 201 
HOH   O    O N N 202 
HOH   H1   H N N 203 
HOH   H2   H N N 204 
ILE   N    N N N 205 
ILE   CA   C N S 206 
ILE   C    C N N 207 
ILE   O    O N N 208 
ILE   CB   C N S 209 
ILE   CG1  C N N 210 
ILE   CG2  C N N 211 
ILE   CD1  C N N 212 
ILE   OXT  O N N 213 
ILE   H    H N N 214 
ILE   H2   H N N 215 
ILE   HA   H N N 216 
ILE   HB   H N N 217 
ILE   HG12 H N N 218 
ILE   HG13 H N N 219 
ILE   HG21 H N N 220 
ILE   HG22 H N N 221 
ILE   HG23 H N N 222 
ILE   HD11 H N N 223 
ILE   HD12 H N N 224 
ILE   HD13 H N N 225 
ILE   HXT  H N N 226 
LEU   N    N N N 227 
LEU   CA   C N S 228 
LEU   C    C N N 229 
LEU   O    O N N 230 
LEU   CB   C N N 231 
LEU   CG   C N N 232 
LEU   CD1  C N N 233 
LEU   CD2  C N N 234 
LEU   OXT  O N N 235 
LEU   H    H N N 236 
LEU   H2   H N N 237 
LEU   HA   H N N 238 
LEU   HB2  H N N 239 
LEU   HB3  H N N 240 
LEU   HG   H N N 241 
LEU   HD11 H N N 242 
LEU   HD12 H N N 243 
LEU   HD13 H N N 244 
LEU   HD21 H N N 245 
LEU   HD22 H N N 246 
LEU   HD23 H N N 247 
LEU   HXT  H N N 248 
LYS   N    N N N 249 
LYS   CA   C N S 250 
LYS   C    C N N 251 
LYS   O    O N N 252 
LYS   CB   C N N 253 
LYS   CG   C N N 254 
LYS   CD   C N N 255 
LYS   CE   C N N 256 
LYS   NZ   N N N 257 
LYS   OXT  O N N 258 
LYS   H    H N N 259 
LYS   H2   H N N 260 
LYS   HA   H N N 261 
LYS   HB2  H N N 262 
LYS   HB3  H N N 263 
LYS   HG2  H N N 264 
LYS   HG3  H N N 265 
LYS   HD2  H N N 266 
LYS   HD3  H N N 267 
LYS   HE2  H N N 268 
LYS   HE3  H N N 269 
LYS   HZ1  H N N 270 
LYS   HZ2  H N N 271 
LYS   HZ3  H N N 272 
LYS   HXT  H N N 273 
MET   N    N N N 274 
MET   CA   C N S 275 
MET   C    C N N 276 
MET   O    O N N 277 
MET   CB   C N N 278 
MET   CG   C N N 279 
MET   SD   S N N 280 
MET   CE   C N N 281 
MET   OXT  O N N 282 
MET   H    H N N 283 
MET   H2   H N N 284 
MET   HA   H N N 285 
MET   HB2  H N N 286 
MET   HB3  H N N 287 
MET   HG2  H N N 288 
MET   HG3  H N N 289 
MET   HE1  H N N 290 
MET   HE2  H N N 291 
MET   HE3  H N N 292 
MET   HXT  H N N 293 
PHE   N    N N N 294 
PHE   CA   C N S 295 
PHE   C    C N N 296 
PHE   O    O N N 297 
PHE   CB   C N N 298 
PHE   CG   C Y N 299 
PHE   CD1  C Y N 300 
PHE   CD2  C Y N 301 
PHE   CE1  C Y N 302 
PHE   CE2  C Y N 303 
PHE   CZ   C Y N 304 
PHE   OXT  O N N 305 
PHE   H    H N N 306 
PHE   H2   H N N 307 
PHE   HA   H N N 308 
PHE   HB2  H N N 309 
PHE   HB3  H N N 310 
PHE   HD1  H N N 311 
PHE   HD2  H N N 312 
PHE   HE1  H N N 313 
PHE   HE2  H N N 314 
PHE   HZ   H N N 315 
PHE   HXT  H N N 316 
PRO   N    N N N 317 
PRO   CA   C N S 318 
PRO   C    C N N 319 
PRO   O    O N N 320 
PRO   CB   C N N 321 
PRO   CG   C N N 322 
PRO   CD   C N N 323 
PRO   OXT  O N N 324 
PRO   H    H N N 325 
PRO   HA   H N N 326 
PRO   HB2  H N N 327 
PRO   HB3  H N N 328 
PRO   HG2  H N N 329 
PRO   HG3  H N N 330 
PRO   HD2  H N N 331 
PRO   HD3  H N N 332 
PRO   HXT  H N N 333 
SER   N    N N N 334 
SER   CA   C N S 335 
SER   C    C N N 336 
SER   O    O N N 337 
SER   CB   C N N 338 
SER   OG   O N N 339 
SER   OXT  O N N 340 
SER   H    H N N 341 
SER   H2   H N N 342 
SER   HA   H N N 343 
SER   HB2  H N N 344 
SER   HB3  H N N 345 
SER   HG   H N N 346 
SER   HXT  H N N 347 
SO4   S    S N N 348 
SO4   O1   O N N 349 
SO4   O2   O N N 350 
SO4   O3   O N N 351 
SO4   O4   O N N 352 
THR   N    N N N 353 
THR   CA   C N S 354 
THR   C    C N N 355 
THR   O    O N N 356 
THR   CB   C N R 357 
THR   OG1  O N N 358 
THR   CG2  C N N 359 
THR   OXT  O N N 360 
THR   H    H N N 361 
THR   H2   H N N 362 
THR   HA   H N N 363 
THR   HB   H N N 364 
THR   HG1  H N N 365 
THR   HG21 H N N 366 
THR   HG22 H N N 367 
THR   HG23 H N N 368 
THR   HXT  H N N 369 
TRP   N    N N N 370 
TRP   CA   C N S 371 
TRP   C    C N N 372 
TRP   O    O N N 373 
TRP   CB   C N N 374 
TRP   CG   C Y N 375 
TRP   CD1  C Y N 376 
TRP   CD2  C Y N 377 
TRP   NE1  N Y N 378 
TRP   CE2  C Y N 379 
TRP   CE3  C Y N 380 
TRP   CZ2  C Y N 381 
TRP   CZ3  C Y N 382 
TRP   CH2  C Y N 383 
TRP   OXT  O N N 384 
TRP   H    H N N 385 
TRP   H2   H N N 386 
TRP   HA   H N N 387 
TRP   HB2  H N N 388 
TRP   HB3  H N N 389 
TRP   HD1  H N N 390 
TRP   HE1  H N N 391 
TRP   HE3  H N N 392 
TRP   HZ2  H N N 393 
TRP   HZ3  H N N 394 
TRP   HH2  H N N 395 
TRP   HXT  H N N 396 
TYR   N    N N N 397 
TYR   CA   C N S 398 
TYR   C    C N N 399 
TYR   O    O N N 400 
TYR   CB   C N N 401 
TYR   CG   C Y N 402 
TYR   CD1  C Y N 403 
TYR   CD2  C Y N 404 
TYR   CE1  C Y N 405 
TYR   CE2  C Y N 406 
TYR   CZ   C Y N 407 
TYR   OH   O N N 408 
TYR   OXT  O N N 409 
TYR   H    H N N 410 
TYR   H2   H N N 411 
TYR   HA   H N N 412 
TYR   HB2  H N N 413 
TYR   HB3  H N N 414 
TYR   HD1  H N N 415 
TYR   HD2  H N N 416 
TYR   HE1  H N N 417 
TYR   HE2  H N N 418 
TYR   HH   H N N 419 
TYR   HXT  H N N 420 
VAL   N    N N N 421 
VAL   CA   C N S 422 
VAL   C    C N N 423 
VAL   O    O N N 424 
VAL   CB   C N N 425 
VAL   CG1  C N N 426 
VAL   CG2  C N N 427 
VAL   OXT  O N N 428 
VAL   H    H N N 429 
VAL   H2   H N N 430 
VAL   HA   H N N 431 
VAL   HB   H N N 432 
VAL   HG11 H N N 433 
VAL   HG12 H N N 434 
VAL   HG13 H N N 435 
VAL   HG21 H N N 436 
VAL   HG22 H N N 437 
VAL   HG23 H N N 438 
VAL   HXT  H N N 439 
# 
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 
A1BG5 C1  C2   sing N N 1   
A1BG5 C2  C3   doub Y N 2   
A1BG5 C3  N1   sing Y N 3   
A1BG5 N1  C4   sing Y N 4   
A1BG5 C4  C5   doub Y N 5   
A1BG5 C5  C6   sing Y N 6   
A1BG5 C6  C7   sing N N 7   
A1BG5 C7  O1   doub N N 8   
A1BG5 C7  N2   sing N N 9   
A1BG5 N2  C8   sing N N 10  
A1BG5 C8  C9   doub Y N 11  
A1BG5 C9  C10  sing Y N 12  
A1BG5 C10 N3   doub Y N 13  
A1BG5 N3  C11  sing Y N 14  
A1BG5 C11 C12  doub Y N 15  
A1BG5 C12 C13  sing N N 16  
A1BG5 C6  C14  doub Y N 17  
A1BG5 C14 C15  sing Y N 18  
A1BG5 C15 N4   doub Y N 19  
A1BG5 C2  N4   sing Y N 20  
A1BG5 N1  C15  sing Y N 21  
A1BG5 C8  C12  sing Y N 22  
A1BG5 C4  H5   sing N N 23  
A1BG5 C5  H6   sing N N 24  
A1BG5 C10 H9   sing N N 25  
A1BG5 C13 H13  sing N N 26  
A1BG5 C13 H12  sing N N 27  
A1BG5 C13 H11  sing N N 28  
A1BG5 C1  H2   sing N N 29  
A1BG5 C1  H1   sing N N 30  
A1BG5 C1  H3   sing N N 31  
A1BG5 C3  H4   sing N N 32  
A1BG5 N2  H7   sing N N 33  
A1BG5 C9  H8   sing N N 34  
A1BG5 C11 H10  sing N N 35  
A1BG5 C14 H14  sing N N 36  
ALA   N   CA   sing N N 37  
ALA   N   H    sing N N 38  
ALA   N   H2   sing N N 39  
ALA   CA  C    sing N N 40  
ALA   CA  CB   sing N N 41  
ALA   CA  HA   sing N N 42  
ALA   C   O    doub N N 43  
ALA   C   OXT  sing N N 44  
ALA   CB  HB1  sing N N 45  
ALA   CB  HB2  sing N N 46  
ALA   CB  HB3  sing N N 47  
ALA   OXT HXT  sing N N 48  
ARG   N   CA   sing N N 49  
ARG   N   H    sing N N 50  
ARG   N   H2   sing N N 51  
ARG   CA  C    sing N N 52  
ARG   CA  CB   sing N N 53  
ARG   CA  HA   sing N N 54  
ARG   C   O    doub N N 55  
ARG   C   OXT  sing N N 56  
ARG   CB  CG   sing N N 57  
ARG   CB  HB2  sing N N 58  
ARG   CB  HB3  sing N N 59  
ARG   CG  CD   sing N N 60  
ARG   CG  HG2  sing N N 61  
ARG   CG  HG3  sing N N 62  
ARG   CD  NE   sing N N 63  
ARG   CD  HD2  sing N N 64  
ARG   CD  HD3  sing N N 65  
ARG   NE  CZ   sing N N 66  
ARG   NE  HE   sing N N 67  
ARG   CZ  NH1  sing N N 68  
ARG   CZ  NH2  doub N N 69  
ARG   NH1 HH11 sing N N 70  
ARG   NH1 HH12 sing N N 71  
ARG   NH2 HH21 sing N N 72  
ARG   NH2 HH22 sing N N 73  
ARG   OXT HXT  sing N N 74  
ASN   N   CA   sing N N 75  
ASN   N   H    sing N N 76  
ASN   N   H2   sing N N 77  
ASN   CA  C    sing N N 78  
ASN   CA  CB   sing N N 79  
ASN   CA  HA   sing N N 80  
ASN   C   O    doub N N 81  
ASN   C   OXT  sing N N 82  
ASN   CB  CG   sing N N 83  
ASN   CB  HB2  sing N N 84  
ASN   CB  HB3  sing N N 85  
ASN   CG  OD1  doub N N 86  
ASN   CG  ND2  sing N N 87  
ASN   ND2 HD21 sing N N 88  
ASN   ND2 HD22 sing N N 89  
ASN   OXT HXT  sing N N 90  
ASP   N   CA   sing N N 91  
ASP   N   H    sing N N 92  
ASP   N   H2   sing N N 93  
ASP   CA  C    sing N N 94  
ASP   CA  CB   sing N N 95  
ASP   CA  HA   sing N N 96  
ASP   C   O    doub N N 97  
ASP   C   OXT  sing N N 98  
ASP   CB  CG   sing N N 99  
ASP   CB  HB2  sing N N 100 
ASP   CB  HB3  sing N N 101 
ASP   CG  OD1  doub N N 102 
ASP   CG  OD2  sing N N 103 
ASP   OD2 HD2  sing N N 104 
ASP   OXT HXT  sing N N 105 
CYS   N   CA   sing N N 106 
CYS   N   H    sing N N 107 
CYS   N   H2   sing N N 108 
CYS   CA  C    sing N N 109 
CYS   CA  CB   sing N N 110 
CYS   CA  HA   sing N N 111 
CYS   C   O    doub N N 112 
CYS   C   OXT  sing N N 113 
CYS   CB  SG   sing N N 114 
CYS   CB  HB2  sing N N 115 
CYS   CB  HB3  sing N N 116 
CYS   SG  HG   sing N N 117 
CYS   OXT HXT  sing N N 118 
DMS   S   O    doub N N 119 
DMS   S   C1   sing N N 120 
DMS   S   C2   sing N N 121 
DMS   C1  H11  sing N N 122 
DMS   C1  H12  sing N N 123 
DMS   C1  H13  sing N N 124 
DMS   C2  H21  sing N N 125 
DMS   C2  H22  sing N N 126 
DMS   C2  H23  sing N N 127 
GLN   N   CA   sing N N 128 
GLN   N   H    sing N N 129 
GLN   N   H2   sing N N 130 
GLN   CA  C    sing N N 131 
GLN   CA  CB   sing N N 132 
GLN   CA  HA   sing N N 133 
GLN   C   O    doub N N 134 
GLN   C   OXT  sing N N 135 
GLN   CB  CG   sing N N 136 
GLN   CB  HB2  sing N N 137 
GLN   CB  HB3  sing N N 138 
GLN   CG  CD   sing N N 139 
GLN   CG  HG2  sing N N 140 
GLN   CG  HG3  sing N N 141 
GLN   CD  OE1  doub N N 142 
GLN   CD  NE2  sing N N 143 
GLN   NE2 HE21 sing N N 144 
GLN   NE2 HE22 sing N N 145 
GLN   OXT HXT  sing N N 146 
GLU   N   CA   sing N N 147 
GLU   N   H    sing N N 148 
GLU   N   H2   sing N N 149 
GLU   CA  C    sing N N 150 
GLU   CA  CB   sing N N 151 
GLU   CA  HA   sing N N 152 
GLU   C   O    doub N N 153 
GLU   C   OXT  sing N N 154 
GLU   CB  CG   sing N N 155 
GLU   CB  HB2  sing N N 156 
GLU   CB  HB3  sing N N 157 
GLU   CG  CD   sing N N 158 
GLU   CG  HG2  sing N N 159 
GLU   CG  HG3  sing N N 160 
GLU   CD  OE1  doub N N 161 
GLU   CD  OE2  sing N N 162 
GLU   OE2 HE2  sing N N 163 
GLU   OXT HXT  sing N N 164 
GLY   N   CA   sing N N 165 
GLY   N   H    sing N N 166 
GLY   N   H2   sing N N 167 
GLY   CA  C    sing N N 168 
GLY   CA  HA2  sing N N 169 
GLY   CA  HA3  sing N N 170 
GLY   C   O    doub N N 171 
GLY   C   OXT  sing N N 172 
GLY   OXT HXT  sing N N 173 
HIS   N   CA   sing N N 174 
HIS   N   H    sing N N 175 
HIS   N   H2   sing N N 176 
HIS   CA  C    sing N N 177 
HIS   CA  CB   sing N N 178 
HIS   CA  HA   sing N N 179 
HIS   C   O    doub N N 180 
HIS   C   OXT  sing N N 181 
HIS   CB  CG   sing N N 182 
HIS   CB  HB2  sing N N 183 
HIS   CB  HB3  sing N N 184 
HIS   CG  ND1  sing Y N 185 
HIS   CG  CD2  doub Y N 186 
HIS   ND1 CE1  doub Y N 187 
HIS   ND1 HD1  sing N N 188 
HIS   CD2 NE2  sing Y N 189 
HIS   CD2 HD2  sing N N 190 
HIS   CE1 NE2  sing Y N 191 
HIS   CE1 HE1  sing N N 192 
HIS   NE2 HE2  sing N N 193 
HIS   OXT HXT  sing N N 194 
HOH   O   H1   sing N N 195 
HOH   O   H2   sing N N 196 
ILE   N   CA   sing N N 197 
ILE   N   H    sing N N 198 
ILE   N   H2   sing N N 199 
ILE   CA  C    sing N N 200 
ILE   CA  CB   sing N N 201 
ILE   CA  HA   sing N N 202 
ILE   C   O    doub N N 203 
ILE   C   OXT  sing N N 204 
ILE   CB  CG1  sing N N 205 
ILE   CB  CG2  sing N N 206 
ILE   CB  HB   sing N N 207 
ILE   CG1 CD1  sing N N 208 
ILE   CG1 HG12 sing N N 209 
ILE   CG1 HG13 sing N N 210 
ILE   CG2 HG21 sing N N 211 
ILE   CG2 HG22 sing N N 212 
ILE   CG2 HG23 sing N N 213 
ILE   CD1 HD11 sing N N 214 
ILE   CD1 HD12 sing N N 215 
ILE   CD1 HD13 sing N N 216 
ILE   OXT HXT  sing N N 217 
LEU   N   CA   sing N N 218 
LEU   N   H    sing N N 219 
LEU   N   H2   sing N N 220 
LEU   CA  C    sing N N 221 
LEU   CA  CB   sing N N 222 
LEU   CA  HA   sing N N 223 
LEU   C   O    doub N N 224 
LEU   C   OXT  sing N N 225 
LEU   CB  CG   sing N N 226 
LEU   CB  HB2  sing N N 227 
LEU   CB  HB3  sing N N 228 
LEU   CG  CD1  sing N N 229 
LEU   CG  CD2  sing N N 230 
LEU   CG  HG   sing N N 231 
LEU   CD1 HD11 sing N N 232 
LEU   CD1 HD12 sing N N 233 
LEU   CD1 HD13 sing N N 234 
LEU   CD2 HD21 sing N N 235 
LEU   CD2 HD22 sing N N 236 
LEU   CD2 HD23 sing N N 237 
LEU   OXT HXT  sing N N 238 
LYS   N   CA   sing N N 239 
LYS   N   H    sing N N 240 
LYS   N   H2   sing N N 241 
LYS   CA  C    sing N N 242 
LYS   CA  CB   sing N N 243 
LYS   CA  HA   sing N N 244 
LYS   C   O    doub N N 245 
LYS   C   OXT  sing N N 246 
LYS   CB  CG   sing N N 247 
LYS   CB  HB2  sing N N 248 
LYS   CB  HB3  sing N N 249 
LYS   CG  CD   sing N N 250 
LYS   CG  HG2  sing N N 251 
LYS   CG  HG3  sing N N 252 
LYS   CD  CE   sing N N 253 
LYS   CD  HD2  sing N N 254 
LYS   CD  HD3  sing N N 255 
LYS   CE  NZ   sing N N 256 
LYS   CE  HE2  sing N N 257 
LYS   CE  HE3  sing N N 258 
LYS   NZ  HZ1  sing N N 259 
LYS   NZ  HZ2  sing N N 260 
LYS   NZ  HZ3  sing N N 261 
LYS   OXT HXT  sing N N 262 
MET   N   CA   sing N N 263 
MET   N   H    sing N N 264 
MET   N   H2   sing N N 265 
MET   CA  C    sing N N 266 
MET   CA  CB   sing N N 267 
MET   CA  HA   sing N N 268 
MET   C   O    doub N N 269 
MET   C   OXT  sing N N 270 
MET   CB  CG   sing N N 271 
MET   CB  HB2  sing N N 272 
MET   CB  HB3  sing N N 273 
MET   CG  SD   sing N N 274 
MET   CG  HG2  sing N N 275 
MET   CG  HG3  sing N N 276 
MET   SD  CE   sing N N 277 
MET   CE  HE1  sing N N 278 
MET   CE  HE2  sing N N 279 
MET   CE  HE3  sing N N 280 
MET   OXT HXT  sing N N 281 
PHE   N   CA   sing N N 282 
PHE   N   H    sing N N 283 
PHE   N   H2   sing N N 284 
PHE   CA  C    sing N N 285 
PHE   CA  CB   sing N N 286 
PHE   CA  HA   sing N N 287 
PHE   C   O    doub N N 288 
PHE   C   OXT  sing N N 289 
PHE   CB  CG   sing N N 290 
PHE   CB  HB2  sing N N 291 
PHE   CB  HB3  sing N N 292 
PHE   CG  CD1  doub Y N 293 
PHE   CG  CD2  sing Y N 294 
PHE   CD1 CE1  sing Y N 295 
PHE   CD1 HD1  sing N N 296 
PHE   CD2 CE2  doub Y N 297 
PHE   CD2 HD2  sing N N 298 
PHE   CE1 CZ   doub Y N 299 
PHE   CE1 HE1  sing N N 300 
PHE   CE2 CZ   sing Y N 301 
PHE   CE2 HE2  sing N N 302 
PHE   CZ  HZ   sing N N 303 
PHE   OXT HXT  sing N N 304 
PRO   N   CA   sing N N 305 
PRO   N   CD   sing N N 306 
PRO   N   H    sing N N 307 
PRO   CA  C    sing N N 308 
PRO   CA  CB   sing N N 309 
PRO   CA  HA   sing N N 310 
PRO   C   O    doub N N 311 
PRO   C   OXT  sing N N 312 
PRO   CB  CG   sing N N 313 
PRO   CB  HB2  sing N N 314 
PRO   CB  HB3  sing N N 315 
PRO   CG  CD   sing N N 316 
PRO   CG  HG2  sing N N 317 
PRO   CG  HG3  sing N N 318 
PRO   CD  HD2  sing N N 319 
PRO   CD  HD3  sing N N 320 
PRO   OXT HXT  sing N N 321 
SER   N   CA   sing N N 322 
SER   N   H    sing N N 323 
SER   N   H2   sing N N 324 
SER   CA  C    sing N N 325 
SER   CA  CB   sing N N 326 
SER   CA  HA   sing N N 327 
SER   C   O    doub N N 328 
SER   C   OXT  sing N N 329 
SER   CB  OG   sing N N 330 
SER   CB  HB2  sing N N 331 
SER   CB  HB3  sing N N 332 
SER   OG  HG   sing N N 333 
SER   OXT HXT  sing N N 334 
SO4   S   O1   doub N N 335 
SO4   S   O2   doub N N 336 
SO4   S   O3   sing N N 337 
SO4   S   O4   sing N N 338 
THR   N   CA   sing N N 339 
THR   N   H    sing N N 340 
THR   N   H2   sing N N 341 
THR   CA  C    sing N N 342 
THR   CA  CB   sing N N 343 
THR   CA  HA   sing N N 344 
THR   C   O    doub N N 345 
THR   C   OXT  sing N N 346 
THR   CB  OG1  sing N N 347 
THR   CB  CG2  sing N N 348 
THR   CB  HB   sing N N 349 
THR   OG1 HG1  sing N N 350 
THR   CG2 HG21 sing N N 351 
THR   CG2 HG22 sing N N 352 
THR   CG2 HG23 sing N N 353 
THR   OXT HXT  sing N N 354 
TRP   N   CA   sing N N 355 
TRP   N   H    sing N N 356 
TRP   N   H2   sing N N 357 
TRP   CA  C    sing N N 358 
TRP   CA  CB   sing N N 359 
TRP   CA  HA   sing N N 360 
TRP   C   O    doub N N 361 
TRP   C   OXT  sing N N 362 
TRP   CB  CG   sing N N 363 
TRP   CB  HB2  sing N N 364 
TRP   CB  HB3  sing N N 365 
TRP   CG  CD1  doub Y N 366 
TRP   CG  CD2  sing Y N 367 
TRP   CD1 NE1  sing Y N 368 
TRP   CD1 HD1  sing N N 369 
TRP   CD2 CE2  doub Y N 370 
TRP   CD2 CE3  sing Y N 371 
TRP   NE1 CE2  sing Y N 372 
TRP   NE1 HE1  sing N N 373 
TRP   CE2 CZ2  sing Y N 374 
TRP   CE3 CZ3  doub Y N 375 
TRP   CE3 HE3  sing N N 376 
TRP   CZ2 CH2  doub Y N 377 
TRP   CZ2 HZ2  sing N N 378 
TRP   CZ3 CH2  sing Y N 379 
TRP   CZ3 HZ3  sing N N 380 
TRP   CH2 HH2  sing N N 381 
TRP   OXT HXT  sing N N 382 
TYR   N   CA   sing N N 383 
TYR   N   H    sing N N 384 
TYR   N   H2   sing N N 385 
TYR   CA  C    sing N N 386 
TYR   CA  CB   sing N N 387 
TYR   CA  HA   sing N N 388 
TYR   C   O    doub N N 389 
TYR   C   OXT  sing N N 390 
TYR   CB  CG   sing N N 391 
TYR   CB  HB2  sing N N 392 
TYR   CB  HB3  sing N N 393 
TYR   CG  CD1  doub Y N 394 
TYR   CG  CD2  sing Y N 395 
TYR   CD1 CE1  sing Y N 396 
TYR   CD1 HD1  sing N N 397 
TYR   CD2 CE2  doub Y N 398 
TYR   CD2 HD2  sing N N 399 
TYR   CE1 CZ   doub Y N 400 
TYR   CE1 HE1  sing N N 401 
TYR   CE2 CZ   sing Y N 402 
TYR   CE2 HE2  sing N N 403 
TYR   CZ  OH   sing N N 404 
TYR   OH  HH   sing N N 405 
TYR   OXT HXT  sing N N 406 
VAL   N   CA   sing N N 407 
VAL   N   H    sing N N 408 
VAL   N   H2   sing N N 409 
VAL   CA  C    sing N N 410 
VAL   CA  CB   sing N N 411 
VAL   CA  HA   sing N N 412 
VAL   C   O    doub N N 413 
VAL   C   OXT  sing N N 414 
VAL   CB  CG1  sing N N 415 
VAL   CB  CG2  sing N N 416 
VAL   CB  HB   sing N N 417 
VAL   CG1 HG11 sing N N 418 
VAL   CG1 HG12 sing N N 419 
VAL   CG1 HG13 sing N N 420 
VAL   CG2 HG21 sing N N 421 
VAL   CG2 HG22 sing N N 422 
VAL   CG2 HG23 sing N N 423 
VAL   OXT HXT  sing N N 424 
# 
_pdbx_audit_support.funding_organization   
'National Institutes of Health/National Institute Of Allergy and Infectious Diseases (NIH/NIAID)' 
_pdbx_audit_support.country                'United States' 
_pdbx_audit_support.grant_number           U19AI171399 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_deposit_group.group_id            G_1002322 
_pdbx_deposit_group.group_description   
'Crystallographic fragment screen of ZIKV NS2B-NS3 protease at the XChem facility of Diamond Light Source beamline I04-1' 
_pdbx_deposit_group.group_title         'PanDDA analysis group deposition' 
_pdbx_deposit_group.group_type          'changed state' 
# 
_atom_sites.entry_id                    7HP6 
_atom_sites.fract_transf_matrix[1][1]   0.023542 
_atom_sites.fract_transf_matrix[1][2]   0.000000 
_atom_sites.fract_transf_matrix[1][3]   0.000000 
_atom_sites.fract_transf_matrix[2][1]   -0.000000 
_atom_sites.fract_transf_matrix[2][2]   0.023542 
_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]   0.004619 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
# 
loop_
_atom_type.symbol 
C 
N 
O 
S 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . ASP   A 1 7   ? -20.767 19.151  -7.471  1.00 70.44  ? 50  ASP   A N   1 
ATOM   2    C CA  . ASP   A 1 7   ? -22.056 18.405  -7.492  1.00 68.01  ? 50  ASP   A CA  1 
ATOM   3    C C   . ASP   A 1 7   ? -22.208 17.725  -8.861  1.00 64.68  ? 50  ASP   A C   1 
ATOM   4    O O   . ASP   A 1 7   ? -21.959 18.383  -9.894  1.00 66.94  ? 50  ASP   A O   1 
ATOM   5    C CB  . ASP   A 1 7   ? -23.219 19.338  -7.156  1.00 71.01  ? 50  ASP   A CB  1 
ATOM   6    C CG  . ASP   A 1 7   ? -24.522 18.625  -6.841  1.00 70.95  ? 50  ASP   A CG  1 
ATOM   7    O OD1 . ASP   A 1 7   ? -24.638 18.070  -5.721  1.00 72.37  ? 50  ASP   A OD1 1 
ATOM   8    O OD2 . ASP   A 1 7   ? -25.420 18.635  -7.712  1.00 71.82  ? 50  ASP   A OD2 1 
ATOM   9    N N   . MET   A 1 8   ? -22.583 16.449  -8.861  1.00 59.66  ? 51  MET   A N   1 
ATOM   10   C CA  . MET   A 1 8   ? -22.519 15.570  -10.054 1.00 56.88  ? 51  MET   A CA  1 
ATOM   11   C C   . MET   A 1 8   ? -23.936 15.313  -10.551 1.00 54.42  ? 51  MET   A C   1 
ATOM   12   O O   . MET   A 1 8   ? -24.852 15.247  -9.709  1.00 54.49  ? 51  MET   A O   1 
ATOM   13   C CB  . MET   A 1 8   ? -21.836 14.243  -9.728  1.00 55.20  ? 51  MET   A CB  1 
ATOM   14   C CG  . MET   A 1 8   ? -20.378 14.417  -9.445  1.00 56.40  ? 51  MET   A CG  1 
ATOM   15   S SD  . MET   A 1 8   ? -19.560 12.834  -9.237  1.00 55.53  ? 51  MET   A SD  1 
ATOM   16   C CE  . MET   A 1 8   ? -17.853 13.386  -9.311  1.00 56.87  ? 51  MET   A CE  1 
ATOM   17   N N   . TYR   A 1 9   ? -24.095 15.227  -11.869 1.00 51.93  ? 52  TYR   A N   1 
ATOM   18   C CA  . TYR   A 1 9   ? -25.374 14.965  -12.570 1.00 50.46  ? 52  TYR   A CA  1 
ATOM   19   C C   . TYR   A 1 9   ? -25.115 13.989  -13.714 1.00 48.48  ? 52  TYR   A C   1 
ATOM   20   O O   . TYR   A 1 9   ? -23.954 13.861  -14.146 1.00 47.18  ? 52  TYR   A O   1 
ATOM   21   C CB  . TYR   A 1 9   ? -26.007 16.283  -13.025 1.00 52.79  ? 52  TYR   A CB  1 
ATOM   22   C CG  . TYR   A 1 9   ? -25.198 17.071  -14.021 1.00 54.82  ? 52  TYR   A CG  1 
ATOM   23   C CD1 . TYR   A 1 9   ? -24.206 17.944  -13.608 1.00 56.40  ? 52  TYR   A CD1 1 
ATOM   24   C CD2 . TYR   A 1 9   ? -25.416 16.934  -15.386 1.00 55.53  ? 52  TYR   A CD2 1 
ATOM   25   C CE1 . TYR   A 1 9   ? -23.454 18.668  -14.523 1.00 58.67  ? 52  TYR   A CE1 1 
ATOM   26   C CE2 . TYR   A 1 9   ? -24.680 17.659  -16.314 1.00 57.55  ? 52  TYR   A CE2 1 
ATOM   27   C CZ  . TYR   A 1 9   ? -23.692 18.528  -15.880 1.00 59.09  ? 52  TYR   A CZ  1 
ATOM   28   O OH  . TYR   A 1 9   ? -22.941 19.230  -16.779 1.00 61.42  ? 52  TYR   A OH  1 
ATOM   29   N N   . ILE   A 1 10  ? -26.165 13.278  -14.128 1.00 47.52  ? 53  ILE   A N   1 
ATOM   30   C CA  . ILE   A 1 10  ? -26.118 12.248  -15.207 1.00 46.33  ? 53  ILE   A CA  1 
ATOM   31   C C   . ILE   A 1 10  ? -26.893 12.755  -16.446 1.00 48.13  ? 53  ILE   A C   1 
ATOM   32   O O   . ILE   A 1 10  ? -27.876 13.514  -16.297 1.00 48.70  ? 53  ILE   A O   1 
ATOM   33   C CB  . ILE   A 1 10  ? -26.617 10.880  -14.698 1.00 44.79  ? 53  ILE   A CB  1 
ATOM   34   C CG1 . ILE   A 1 10  ? -28.104 10.876  -14.342 1.00 45.16  ? 53  ILE   A CG1 1 
ATOM   35   C CG2 . ILE   A 1 10  ? -25.772 10.392  -13.517 1.00 43.75  ? 53  ILE   A CG2 1 
ATOM   36   C CD1 . ILE   A 1 10  ? -28.622 9.483   -14.055 1.00 43.99  ? 53  ILE   A CD1 1 
ATOM   37   N N   . GLU   A 1 11  ? -26.434 12.363  -17.650 1.00 48.80  ? 54  GLU   A N   1 
ATOM   38   C CA  . GLU   A 1 11  ? -27.127 12.648  -18.950 1.00 50.69  ? 54  GLU   A CA  1 
ATOM   39   C C   . GLU   A 1 11  ? -27.142 11.342  -19.790 1.00 48.92  ? 54  GLU   A C   1 
ATOM   40   O O   . GLU   A 1 11  ? -26.045 10.692  -20.026 1.00 47.33  ? 54  GLU   A O   1 
ATOM   41   C CB  . GLU   A 1 11  ? -26.397 13.698  -19.804 1.00 53.50  ? 54  GLU   A CB  1 
ATOM   42   C CG  . GLU   A 1 11  ? -26.436 15.132  -19.311 1.00 56.24  ? 54  GLU   A CG  1 
ATOM   43   C CD  . GLU   A 1 11  ? -25.517 16.064  -20.119 1.00 59.32  ? 54  GLU   A CD  1 
ATOM   44   O OE1 . GLU   A 1 11  ? -24.781 15.564  -20.985 1.00 60.78  ? 54  GLU   A OE1 1 
ATOM   45   O OE2 . GLU   A 1 11  ? -25.532 17.291  -19.896 1.00 62.54  ? 54  GLU   A OE2 1 
ATOM   46   N N   . ARG   A 1 12  ? -28.332 10.956  -20.282 1.00 49.22  ? 55  ARG   A N   1 
ATOM   47   C CA  . ARG   A 1 12  ? -28.456 9.714   -21.075 1.00 48.84  ? 55  ARG   A CA  1 
ATOM   48   C C   . ARG   A 1 12  ? -27.494 9.860   -22.272 1.00 49.85  ? 55  ARG   A C   1 
ATOM   49   O O   . ARG   A 1 12  ? -27.286 11.009  -22.720 1.00 52.00  ? 55  ARG   A O   1 
ATOM   50   C CB  . ARG   A 1 12  ? -29.883 9.512   -21.597 1.00 50.14  ? 55  ARG   A CB  1 
ATOM   51   C CG  . ARG   A 1 12  ? -30.102 8.127   -22.196 1.00 49.83  ? 55  ARG   A CG  1 
ATOM   52   C CD  . ARG   A 1 12  ? -31.527 7.633   -21.952 1.00 50.21  ? 55  ARG   A CD  1 
ATOM   53   N NE  . ARG   A 1 12  ? -31.671 6.215   -22.219 1.00 49.55  ? 55  ARG   A NE  1 
ATOM   54   C CZ  . ARG   A 1 12  ? -31.566 5.659   -23.438 1.00 50.59  ? 55  ARG   A CZ  1 
ATOM   55   N NH1 . ARG   A 1 12  ? -31.388 6.418   -24.514 1.00 53.46  ? 55  ARG   A NH1 1 
ATOM   56   N NH2 . ARG   A 1 12  ? -31.673 4.351   -23.580 1.00 49.04  ? 55  ARG   A NH2 1 
ATOM   57   N N   . ALA   A 1 13  ? -26.855 8.774   -22.697 1.00 49.58  ? 56  ALA   A N   1 
ATOM   58   C CA  . ALA   A 1 13  ? -25.816 8.754   -23.766 1.00 50.88  ? 56  ALA   A CA  1 
ATOM   59   C C   . ALA   A 1 13  ? -26.189 7.749   -24.867 1.00 51.95  ? 56  ALA   A C   1 
ATOM   60   O O   . ALA   A 1 13  ? -25.469 7.731   -25.918 1.00 53.62  ? 56  ALA   A O   1 
ATOM   61   C CB  . ALA   A 1 13  ? -24.447 8.414   -23.216 1.00 50.03  ? 56  ALA   A CB  1 
ATOM   62   N N   . GLY   A 1 14  ? -27.220 6.910   -24.672 1.00 51.57  ? 57  GLY   A N   1 
ATOM   63   C CA  . GLY   A 1 14  ? -27.491 5.796   -25.599 1.00 52.66  ? 57  GLY   A CA  1 
ATOM   64   C C   . GLY   A 1 14  ? -28.207 4.618   -24.955 1.00 53.03  ? 57  GLY   A C   1 
ATOM   65   O O   . GLY   A 1 14  ? -28.252 4.543   -23.686 1.00 49.01  ? 57  GLY   A O   1 
ATOM   66   N N   . ASP   A 1 15  ? -28.697 3.699   -25.813 1.00 54.65  ? 58  ASP   A N   1 
ATOM   67   C CA  . ASP   A 1 15  ? -29.244 2.377   -25.400 1.00 54.90  ? 58  ASP   A CA  1 
ATOM   68   C C   . ASP   A 1 15  ? -28.087 1.400   -25.201 1.00 54.33  ? 58  ASP   A C   1 
ATOM   69   O O   . ASP   A 1 15  ? -26.910 1.655   -25.681 1.00 56.41  ? 58  ASP   A O   1 
ATOM   70   C CB  . ASP   A 1 15  ? -30.148 1.738   -26.450 1.00 56.84  ? 58  ASP   A CB  1 
ATOM   71   C CG  . ASP   A 1 15  ? -31.453 2.493   -26.691 1.00 58.85  ? 58  ASP   A CG  1 
ATOM   72   O OD1 . ASP   A 1 15  ? -31.579 3.615   -26.045 1.00 57.62  ? 58  ASP   A OD1 1 
ATOM   73   O OD2 . ASP   A 1 15  ? -32.329 1.998   -27.494 1.00 60.73  ? 58  ASP   A OD2 1 
ATOM   74   N N   . ILE   A 1 16  ? -28.393 0.300   -24.439 1.00 53.72  ? 59  ILE   A N   1 
ATOM   75   C CA  . ILE   A 1 16  ? -27.378 -0.761  -24.251 1.00 52.63  ? 59  ILE   A CA  1 
ATOM   76   C C   . ILE   A 1 16  ? -27.755 -1.882  -25.220 1.00 53.48  ? 59  ILE   A C   1 
ATOM   77   O O   . ILE   A 1 16  ? -28.819 -2.543  -25.085 1.00 53.47  ? 59  ILE   A O   1 
ATOM   78   C CB  . ILE   A 1 16  ? -27.175 -1.202  -22.798 1.00 51.40  ? 59  ILE   A CB  1 
ATOM   79   C CG1 . ILE   A 1 16  ? -26.602 -0.034  -21.973 1.00 51.30  ? 59  ILE   A CG1 1 
ATOM   80   C CG2 . ILE   A 1 16  ? -26.278 -2.418  -22.801 1.00 50.99  ? 59  ILE   A CG2 1 
ATOM   81   C CD1 . ILE   A 1 16  ? -26.550 -0.250  -20.480 1.00 49.37  ? 59  ILE   A CD1 1 
ATOM   82   N N   A THR   A 1 17  ? -26.925 -2.041  -26.259 0.23 54.22  ? 60  THR   A N   1 
ATOM   83   N N   B THR   A 1 17  ? -26.879 -2.100  -26.197 0.22 54.01  ? 60  THR   A N   1 
ATOM   84   N N   C THR   A 1 17  ? -26.926 -2.040  -26.260 0.27 54.21  ? 60  THR   A N   1 
ATOM   85   N N   D THR   A 1 17  ? -26.880 -2.099  -26.199 0.28 54.00  ? 60  THR   A N   1 
ATOM   86   C CA  A THR   A 1 17  ? -27.150 -3.019  -27.373 0.23 55.74  ? 60  THR   A CA  1 
ATOM   87   C CA  B THR   A 1 17  ? -27.146 -3.007  -27.344 0.22 55.59  ? 60  THR   A CA  1 
ATOM   88   C CA  C THR   A 1 17  ? -27.151 -3.017  -27.375 0.27 55.73  ? 60  THR   A CA  1 
ATOM   89   C CA  D THR   A 1 17  ? -27.149 -3.006  -27.347 0.28 55.57  ? 60  THR   A CA  1 
ATOM   90   C C   A THR   A 1 17  ? -25.874 -3.517  -28.158 0.23 56.17  ? 60  THR   A C   1 
ATOM   91   C C   B THR   A 1 17  ? -25.877 -3.520  -28.150 0.22 56.10  ? 60  THR   A C   1 
ATOM   92   C C   C THR   A 1 17  ? -25.880 -3.513  -28.166 0.27 56.21  ? 60  THR   A C   1 
ATOM   93   C C   D THR   A 1 17  ? -25.884 -3.516  -28.161 0.28 56.14  ? 60  THR   A C   1 
ATOM   94   O O   A THR   A 1 17  ? -25.014 -2.679  -28.485 0.23 56.41  ? 60  THR   A O   1 
ATOM   95   O O   B THR   A 1 17  ? -25.016 -2.681  -28.488 0.22 56.38  ? 60  THR   A O   1 
ATOM   96   O O   C THR   A 1 17  ? -25.025 -2.672  -28.497 0.27 56.42  ? 60  THR   A O   1 
ATOM   97   O O   D THR   A 1 17  ? -25.037 -2.669  -28.522 0.28 56.40  ? 60  THR   A O   1 
ATOM   98   C CB  A THR   A 1 17  ? -27.913 -2.394  -28.520 0.23 58.67  ? 60  THR   A CB  1 
ATOM   99   C CB  B THR   A 1 17  ? -27.947 -2.246  -28.386 0.22 58.31  ? 60  THR   A CB  1 
ATOM   100  C CB  C THR   A 1 17  ? -27.915 -2.393  -28.522 0.27 58.71  ? 60  THR   A CB  1 
ATOM   101  C CB  D THR   A 1 17  ? -27.951 -2.245  -28.388 0.28 58.35  ? 60  THR   A CB  1 
ATOM   102  O OG1 A THR   A 1 17  ? -27.091 -1.526  -29.293 0.23 59.69  ? 60  THR   A OG1 1 
ATOM   103  O OG1 B THR   A 1 17  ? -29.131 -1.674  -27.805 0.22 57.95  ? 60  THR   A OG1 1 
ATOM   104  O OG1 C THR   A 1 17  ? -27.094 -1.528  -29.297 0.27 59.68  ? 60  THR   A OG1 1 
ATOM   105  O OG1 D THR   A 1 17  ? -29.138 -1.673  -27.812 0.28 57.94  ? 60  THR   A OG1 1 
ATOM   106  C CG2 A THR   A 1 17  ? -29.134 -1.599  -28.099 0.23 58.87  ? 60  THR   A CG2 1 
ATOM   107  C CG2 B THR   A 1 17  ? -28.334 -3.160  -29.520 0.22 60.24  ? 60  THR   A CG2 1 
ATOM   108  C CG2 C THR   A 1 17  ? -29.136 -1.598  -28.100 0.27 58.88  ? 60  THR   A CG2 1 
ATOM   109  C CG2 D THR   A 1 17  ? -28.335 -3.161  -29.521 0.28 60.22  ? 60  THR   A CG2 1 
ATOM   110  N N   . TRP   A 1 18  ? -25.926 -4.830  -28.475 1.00 56.48  ? 61  TRP   A N   1 
ATOM   111  C CA  . TRP   A 1 18  ? -24.884 -5.420  -29.351 1.00 57.82  ? 61  TRP   A CA  1 
ATOM   112  C C   . TRP   A 1 18  ? -25.108 -4.841  -30.754 1.00 63.64  ? 61  TRP   A C   1 
ATOM   113  O O   . TRP   A 1 18  ? -26.288 -4.796  -31.271 1.00 65.29  ? 61  TRP   A O   1 
ATOM   114  C CB  . TRP   A 1 18  ? -24.952 -6.943  -29.356 1.00 56.27  ? 61  TRP   A CB  1 
ATOM   115  C CG  . TRP   A 1 18  ? -23.868 -7.527  -30.193 1.00 56.05  ? 61  TRP   A CG  1 
ATOM   116  C CD1 . TRP   A 1 18  ? -23.937 -7.750  -31.543 1.00 58.58  ? 61  TRP   A CD1 1 
ATOM   117  C CD2 . TRP   A 1 18  ? -22.563 -7.972  -29.768 1.00 54.40  ? 61  TRP   A CD2 1 
ATOM   118  N NE1 . TRP   A 1 18  ? -22.758 -8.281  -31.989 1.00 58.33  ? 61  TRP   A NE1 1 
ATOM   119  C CE2 . TRP   A 1 18  ? -21.901 -8.450  -30.926 1.00 56.26  ? 61  TRP   A CE2 1 
ATOM   120  C CE3 . TRP   A 1 18  ? -21.882 -8.006  -28.540 1.00 51.37  ? 61  TRP   A CE3 1 
ATOM   121  C CZ2 . TRP   A 1 18  ? -20.597 -8.945  -30.886 1.00 56.12  ? 61  TRP   A CZ2 1 
ATOM   122  C CZ3 . TRP   A 1 18  ? -20.599 -8.506  -28.506 1.00 51.78  ? 61  TRP   A CZ3 1 
ATOM   123  C CH2 . TRP   A 1 18  ? -19.965 -8.980  -29.657 1.00 53.56  ? 61  TRP   A CH2 1 
ATOM   124  N N   . GLU   A 1 19  ? -24.012 -4.418  -31.381 1.00 67.12  ? 62  GLU   A N   1 
ATOM   125  C CA  . GLU   A 1 19  ? -24.164 -3.742  -32.685 1.00 73.08  ? 62  GLU   A CA  1 
ATOM   126  C C   . GLU   A 1 19  ? -23.257 -4.438  -33.718 1.00 75.65  ? 62  GLU   A C   1 
ATOM   127  O O   . GLU   A 1 19  ? -21.988 -4.398  -33.598 1.00 74.72  ? 62  GLU   A O   1 
ATOM   128  C CB  . GLU   A 1 19  ? -23.897 -2.253  -32.513 1.00 75.09  ? 62  GLU   A CB  1 
ATOM   129  C CG  . GLU   A 1 19  ? -24.862 -1.601  -31.543 1.00 76.01  ? 62  GLU   A CG  1 
ATOM   130  C CD  . GLU   A 1 19  ? -26.266 -1.215  -32.077 1.00 79.82  ? 62  GLU   A CD  1 
ATOM   131  O OE1 . GLU   A 1 19  ? -26.669 -1.681  -33.170 1.00 83.20  ? 62  GLU   A OE1 1 
ATOM   132  O OE2 . GLU   A 1 19  ? -26.914 -0.437  -31.330 1.00 82.13  ? 62  GLU   A OE2 1 
ATOM   133  N N   A LYS   A 1 20  ? -23.907 -5.093  -34.691 0.25 78.33  ? 63  LYS   A N   1 
ATOM   134  N N   B LYS   A 1 20  ? -23.907 -5.093  -34.691 0.25 78.33  ? 63  LYS   A N   1 
ATOM   135  N N   C LYS   A 1 20  ? -23.897 -5.060  -34.718 0.25 78.30  ? 63  LYS   A N   1 
ATOM   136  N N   D LYS   A 1 20  ? -23.897 -5.060  -34.718 0.25 78.30  ? 63  LYS   A N   1 
ATOM   137  C CA  A LYS   A 1 20  ? -23.250 -5.903  -35.753 0.25 80.81  ? 63  LYS   A CA  1 
ATOM   138  C CA  B LYS   A 1 20  ? -23.250 -5.903  -35.753 0.25 80.81  ? 63  LYS   A CA  1 
ATOM   139  C CA  C LYS   A 1 20  ? -23.216 -5.758  -35.844 0.25 80.88  ? 63  LYS   A CA  1 
ATOM   140  C CA  D LYS   A 1 20  ? -23.216 -5.758  -35.844 0.25 80.88  ? 63  LYS   A CA  1 
ATOM   141  C C   A LYS   A 1 20  ? -22.274 -5.032  -36.545 0.25 82.09  ? 63  LYS   A C   1 
ATOM   142  C C   B LYS   A 1 20  ? -22.274 -5.032  -36.545 0.25 82.09  ? 63  LYS   A C   1 
ATOM   143  C C   C LYS   A 1 20  ? -22.380 -4.755  -36.644 0.25 82.32  ? 63  LYS   A C   1 
ATOM   144  C C   D LYS   A 1 20  ? -22.380 -4.755  -36.644 0.25 82.32  ? 63  LYS   A C   1 
ATOM   145  O O   A LYS   A 1 20  ? -22.670 -3.933  -36.980 0.25 83.62  ? 63  LYS   A O   1 
ATOM   146  O O   B LYS   A 1 20  ? -22.670 -3.933  -36.980 0.25 83.62  ? 63  LYS   A O   1 
ATOM   147  O O   C LYS   A 1 20  ? -22.913 -3.685  -36.999 0.25 83.94  ? 63  LYS   A O   1 
ATOM   148  O O   D LYS   A 1 20  ? -22.913 -3.685  -36.999 0.25 83.94  ? 63  LYS   A O   1 
ATOM   149  C CB  A LYS   A 1 20  ? -24.296 -6.510  -36.691 0.25 84.07  ? 63  LYS   A CB  1 
ATOM   150  C CB  B LYS   A 1 20  ? -24.296 -6.510  -36.691 0.25 84.07  ? 63  LYS   A CB  1 
ATOM   151  C CB  C LYS   A 1 20  ? -24.240 -6.424  -36.766 0.25 84.03  ? 63  LYS   A CB  1 
ATOM   152  C CB  D LYS   A 1 20  ? -24.240 -6.424  -36.766 0.25 84.03  ? 63  LYS   A CB  1 
ATOM   153  C CG  A LYS   A 1 20  ? -24.959 -7.779  -36.175 0.25 83.51  ? 63  LYS   A CG  1 
ATOM   154  C CG  B LYS   A 1 20  ? -24.959 -7.779  -36.175 0.25 83.51  ? 63  LYS   A CG  1 
ATOM   155  C CG  C LYS   A 1 20  ? -24.927 -7.654  -36.191 0.25 83.27  ? 63  LYS   A CG  1 
ATOM   156  C CG  D LYS   A 1 20  ? -24.927 -7.654  -36.191 0.25 83.27  ? 63  LYS   A CG  1 
ATOM   157  C CD  A LYS   A 1 20  ? -26.208 -8.151  -36.941 0.25 86.72  ? 63  LYS   A CD  1 
ATOM   158  C CD  B LYS   A 1 20  ? -26.208 -8.151  -36.941 0.25 86.72  ? 63  LYS   A CD  1 
ATOM   159  C CD  C LYS   A 1 20  ? -26.284 -7.912  -36.809 0.25 86.08  ? 63  LYS   A CD  1 
ATOM   160  C CD  D LYS   A 1 20  ? -26.284 -7.912  -36.809 0.25 86.08  ? 63  LYS   A CD  1 
ATOM   161  C CE  A LYS   A 1 20  ? -26.898 -9.380  -36.388 0.25 86.14  ? 63  LYS   A CE  1 
ATOM   162  C CE  B LYS   A 1 20  ? -26.898 -9.380  -36.388 0.25 86.14  ? 63  LYS   A CE  1 
ATOM   163  C CE  C LYS   A 1 20  ? -26.834 -9.284  -36.487 0.25 86.03  ? 63  LYS   A CE  1 
ATOM   164  C CE  D LYS   A 1 20  ? -26.834 -9.284  -36.487 0.25 86.03  ? 63  LYS   A CE  1 
ATOM   165  N NZ  A LYS   A 1 20  ? -28.285 -9.504  -36.903 0.25 88.88  ? 63  LYS   A NZ  1 
ATOM   166  N NZ  B LYS   A 1 20  ? -28.285 -9.504  -36.903 0.25 88.88  ? 63  LYS   A NZ  1 
ATOM   167  N NZ  C LYS   A 1 20  ? -28.274 -9.387  -36.836 0.25 88.34  ? 63  LYS   A NZ  1 
ATOM   168  N NZ  D LYS   A 1 20  ? -28.274 -9.387  -36.836 0.25 88.34  ? 63  LYS   A NZ  1 
ATOM   169  N N   A ASP   A 1 21  ? -21.045 -5.521  -36.719 0.25 81.75  ? 64  ASP   A N   1 
ATOM   170  N N   B ASP   A 1 21  ? -21.045 -5.521  -36.719 0.25 81.75  ? 64  ASP   A N   1 
ATOM   171  N N   C ASP   A 1 21  ? -21.123 -5.103  -36.923 0.25 82.20  ? 64  ASP   A N   1 
ATOM   172  N N   D ASP   A 1 21  ? -21.123 -5.103  -36.923 0.25 82.20  ? 64  ASP   A N   1 
ATOM   173  C CA  A ASP   A 1 21  ? -19.976 -4.826  -37.479 0.25 83.85  ? 64  ASP   A CA  1 
ATOM   174  C CA  B ASP   A 1 21  ? -19.976 -4.826  -37.479 0.25 83.85  ? 64  ASP   A CA  1 
ATOM   175  C CA  C ASP   A 1 21  ? -20.192 -4.266  -37.722 0.25 84.29  ? 64  ASP   A CA  1 
ATOM   176  C CA  D ASP   A 1 21  ? -20.192 -4.266  -37.722 0.25 84.29  ? 64  ASP   A CA  1 
ATOM   177  C C   A ASP   A 1 21  ? -19.586 -3.546  -36.734 0.25 81.91  ? 64  ASP   A C   1 
ATOM   178  C C   B ASP   A 1 21  ? -19.586 -3.546  -36.734 0.25 81.91  ? 64  ASP   A C   1 
ATOM   179  C C   C ASP   A 1 21  ? -19.625 -3.145  -36.835 0.25 81.83  ? 64  ASP   A C   1 
ATOM   180  C C   D ASP   A 1 21  ? -19.625 -3.145  -36.835 0.25 81.83  ? 64  ASP   A C   1 
ATOM   181  O O   A ASP   A 1 21  ? -19.544 -2.472  -37.380 0.25 83.83  ? 64  ASP   A O   1 
ATOM   182  O O   B ASP   A 1 21  ? -19.544 -2.472  -37.380 0.25 83.83  ? 64  ASP   A O   1 
ATOM   183  O O   C ASP   A 1 21  ? -19.535 -1.997  -37.331 0.25 83.47  ? 64  ASP   A O   1 
ATOM   184  O O   D ASP   A 1 21  ? -19.535 -1.997  -37.331 0.25 83.47  ? 64  ASP   A O   1 
ATOM   185  C CB  A ASP   A 1 21  ? -20.425 -4.521  -38.909 0.25 88.45  ? 64  ASP   A CB  1 
ATOM   186  C CB  B ASP   A 1 21  ? -20.425 -4.521  -38.909 0.25 88.45  ? 64  ASP   A CB  1 
ATOM   187  C CB  C ASP   A 1 21  ? -20.891 -3.662  -38.950 0.25 88.45  ? 64  ASP   A CB  1 
ATOM   188  C CB  D ASP   A 1 21  ? -20.891 -3.662  -38.950 0.25 88.45  ? 64  ASP   A CB  1 
ATOM   189  C CG  A ASP   A 1 21  ? -20.592 -5.766  -39.763 0.25 90.70  ? 64  ASP   A CG  1 
ATOM   190  C CG  B ASP   A 1 21  ? -20.592 -5.766  -39.763 0.25 90.70  ? 64  ASP   A CG  1 
ATOM   191  C CG  C ASP   A 1 21  ? -21.214 -4.669  -40.051 0.25 91.38  ? 64  ASP   A CG  1 
ATOM   192  C CG  D ASP   A 1 21  ? -21.214 -4.669  -40.051 0.25 91.38  ? 64  ASP   A CG  1 
ATOM   193  O OD1 A ASP   A 1 21  ? -20.200 -5.708  -40.971 0.25 94.16  ? 64  ASP   A OD1 1 
ATOM   194  O OD1 B ASP   A 1 21  ? -20.200 -5.708  -40.971 0.25 94.16  ? 64  ASP   A OD1 1 
ATOM   195  O OD1 C ASP   A 1 21  ? -20.178 -5.225  -40.680 0.25 93.47  ? 64  ASP   A OD1 1 
ATOM   196  O OD1 D ASP   A 1 21  ? -20.178 -5.225  -40.680 0.25 93.47  ? 64  ASP   A OD1 1 
ATOM   197  O OD2 A ASP   A 1 21  ? -21.119 -6.791  -39.243 0.25 88.98  ? 64  ASP   A OD2 1 
ATOM   198  O OD2 B ASP   A 1 21  ? -21.119 -6.791  -39.243 0.25 88.98  ? 64  ASP   A OD2 1 
ATOM   199  O OD2 C ASP   A 1 21  ? -22.483 -4.962  -40.325 0.25 92.39  ? 64  ASP   A OD2 1 
ATOM   200  O OD2 D ASP   A 1 21  ? -22.483 -4.962  -40.325 0.25 92.39  ? 64  ASP   A OD2 1 
ATOM   201  N N   A ALA   A 1 22  ? -19.354 -3.659  -35.420 0.25 77.36  ? 65  ALA   A N   1 
ATOM   202  N N   B ALA   A 1 22  ? -19.354 -3.659  -35.420 0.25 77.36  ? 65  ALA   A N   1 
ATOM   203  N N   C ALA   A 1 22  ? -19.279 -3.453  -35.575 0.25 77.28  ? 65  ALA   A N   1 
ATOM   204  N N   D ALA   A 1 22  ? -19.279 -3.453  -35.575 0.25 77.28  ? 65  ALA   A N   1 
ATOM   205  C CA  A ALA   A 1 22  ? -18.575 -2.645  -34.670 0.25 75.44  ? 65  ALA   A CA  1 
ATOM   206  C CA  B ALA   A 1 22  ? -18.575 -2.645  -34.670 0.25 75.44  ? 65  ALA   A CA  1 
ATOM   207  C CA  C ALA   A 1 22  ? -18.458 -2.536  -34.733 0.25 75.10  ? 65  ALA   A CA  1 
ATOM   208  C CA  D ALA   A 1 22  ? -18.458 -2.536  -34.733 0.25 75.10  ? 65  ALA   A CA  1 
ATOM   209  C C   A ALA   A 1 22  ? -17.085 -2.715  -35.174 0.25 76.31  ? 65  ALA   A C   1 
ATOM   210  C C   B ALA   A 1 22  ? -17.085 -2.715  -35.174 0.25 76.31  ? 65  ALA   A C   1 
ATOM   211  C C   C ALA   A 1 22  ? -16.970 -2.592  -35.248 0.25 75.97  ? 65  ALA   A C   1 
ATOM   212  C C   D ALA   A 1 22  ? -16.970 -2.592  -35.248 0.25 75.97  ? 65  ALA   A C   1 
ATOM   213  O O   A ALA   A 1 22  ? -16.731 -3.730  -35.809 0.25 77.96  ? 65  ALA   A O   1 
ATOM   214  O O   B ALA   A 1 22  ? -16.731 -3.730  -35.809 0.25 77.96  ? 65  ALA   A O   1 
ATOM   215  O O   C ALA   A 1 22  ? -16.620 -3.578  -35.937 0.25 77.28  ? 65  ALA   A O   1 
ATOM   216  O O   D ALA   A 1 22  ? -16.620 -3.578  -35.937 0.25 77.28  ? 65  ALA   A O   1 
ATOM   217  C CB  A ALA   A 1 22  ? -18.891 -2.808  -33.140 0.25 71.57  ? 65  ALA   A CB  1 
ATOM   218  C CB  B ALA   A 1 22  ? -18.891 -2.808  -33.140 0.25 71.57  ? 65  ALA   A CB  1 
ATOM   219  C CB  C ALA   A 1 22  ? -18.751 -2.821  -33.220 0.25 71.30  ? 65  ALA   A CB  1 
ATOM   220  C CB  D ALA   A 1 22  ? -18.751 -2.821  -33.220 0.25 71.30  ? 65  ALA   A CB  1 
ATOM   221  N N   A GLU   A 1 23  ? -16.343 -1.474  -35.078 0.25 76.16  ? 66  GLU   A N   1 
ATOM   222  N N   B GLU   A 1 23  ? -16.343 -1.474  -35.078 0.25 76.16  ? 66  GLU   A N   1 
ATOM   223  N N   C GLU   A 1 23  ? -16.213 -1.365  -35.074 0.25 75.91  ? 66  GLU   A N   1 
ATOM   224  N N   D GLU   A 1 23  ? -16.213 -1.365  -35.074 0.25 75.91  ? 66  GLU   A N   1 
ATOM   225  C CA  A GLU   A 1 23  ? -14.858 -1.438  -35.296 0.25 77.04  ? 66  GLU   A CA  1 
ATOM   226  C CA  B GLU   A 1 23  ? -14.858 -1.438  -35.296 0.25 77.04  ? 66  GLU   A CA  1 
ATOM   227  C CA  C GLU   A 1 23  ? -14.731 -1.393  -35.307 0.25 76.98  ? 66  GLU   A CA  1 
ATOM   228  C CA  D GLU   A 1 23  ? -14.731 -1.393  -35.307 0.25 76.98  ? 66  GLU   A CA  1 
ATOM   229  C C   A GLU   A 1 23  ? -14.292 -2.598  -34.453 0.25 74.41  ? 66  GLU   A C   1 
ATOM   230  C C   B GLU   A 1 23  ? -14.292 -2.598  -34.453 0.25 74.41  ? 66  GLU   A C   1 
ATOM   231  C C   C GLU   A 1 23  ? -14.241 -2.574  -34.448 0.25 74.34  ? 66  GLU   A C   1 
ATOM   232  C C   D GLU   A 1 23  ? -14.241 -2.574  -34.448 0.25 74.34  ? 66  GLU   A C   1 
ATOM   233  O O   A GLU   A 1 23  ? -14.515 -2.590  -33.199 0.25 69.95  ? 66  GLU   A O   1 
ATOM   234  O O   B GLU   A 1 23  ? -14.515 -2.590  -33.199 0.25 69.95  ? 66  GLU   A O   1 
ATOM   235  O O   C GLU   A 1 23  ? -14.448 -2.551  -33.198 0.25 69.99  ? 66  GLU   A O   1 
ATOM   236  O O   D GLU   A 1 23  ? -14.448 -2.551  -33.198 0.25 69.99  ? 66  GLU   A O   1 
ATOM   237  C CB  A GLU   A 1 23  ? -14.335 -0.077  -34.814 0.25 77.41  ? 66  GLU   A CB  1 
ATOM   238  C CB  B GLU   A 1 23  ? -14.335 -0.077  -34.814 0.25 77.41  ? 66  GLU   A CB  1 
ATOM   239  C CB  C GLU   A 1 23  ? -14.065 -0.091  -34.827 0.25 77.46  ? 66  GLU   A CB  1 
ATOM   240  C CB  D GLU   A 1 23  ? -14.065 -0.091  -34.827 0.25 77.46  ? 66  GLU   A CB  1 
ATOM   241  C CG  A GLU   A 1 23  ? -13.090 0.449   -35.518 0.25 80.67  ? 66  GLU   A CG  1 
ATOM   242  C CG  B GLU   A 1 23  ? -13.090 0.449   -35.518 0.25 80.67  ? 66  GLU   A CG  1 
ATOM   243  C CG  C GLU   A 1 23  ? -12.567 -0.231  -34.602 0.25 78.05  ? 66  GLU   A CG  1 
ATOM   244  C CG  D GLU   A 1 23  ? -12.567 -0.231  -34.602 0.25 78.05  ? 66  GLU   A CG  1 
ATOM   245  C CD  A GLU   A 1 23  ? -12.737 1.880   -35.098 0.25 81.23  ? 66  GLU   A CD  1 
ATOM   246  C CD  B GLU   A 1 23  ? -12.737 1.880   -35.098 0.25 81.23  ? 66  GLU   A CD  1 
ATOM   247  C CD  C GLU   A 1 23  ? -11.899 0.980   -33.956 0.25 78.43  ? 66  GLU   A CD  1 
ATOM   248  C CD  D GLU   A 1 23  ? -11.899 0.980   -33.956 0.25 78.43  ? 66  GLU   A CD  1 
ATOM   249  O OE1 A GLU   A 1 23  ? -12.224 2.645   -35.987 0.25 84.32  ? 66  GLU   A OE1 1 
ATOM   250  O OE1 B GLU   A 1 23  ? -12.224 2.645   -35.987 0.25 84.32  ? 66  GLU   A OE1 1 
ATOM   251  O OE1 C GLU   A 1 23  ? -12.661 1.834   -33.401 0.25 77.18  ? 66  GLU   A OE1 1 
ATOM   252  O OE1 D GLU   A 1 23  ? -12.661 1.834   -33.401 0.25 77.18  ? 66  GLU   A OE1 1 
ATOM   253  O OE2 A GLU   A 1 23  ? -13.001 2.227   -33.880 0.25 78.28  ? 66  GLU   A OE2 1 
ATOM   254  O OE2 B GLU   A 1 23  ? -13.001 2.227   -33.880 0.25 78.28  ? 66  GLU   A OE2 1 
ATOM   255  O OE2 C GLU   A 1 23  ? -10.599 1.152   -34.171 0.25 80.54  ? 66  GLU   A OE2 1 
ATOM   256  O OE2 D GLU   A 1 23  ? -10.599 1.152   -34.171 0.25 80.54  ? 66  GLU   A OE2 1 
ATOM   257  N N   . VAL   A 1 24  ? -13.604 -3.573  -35.073 1.00 75.24  ? 67  VAL   A N   1 
ATOM   258  C CA  . VAL   A 1 24  ? -13.050 -4.744  -34.309 1.00 73.04  ? 67  VAL   A CA  1 
ATOM   259  C C   . VAL   A 1 24  ? -11.540 -4.527  -34.140 1.00 73.71  ? 67  VAL   A C   1 
ATOM   260  O O   . VAL   A 1 24  ? -10.836 -4.434  -35.163 1.00 75.74  ? 67  VAL   A O   1 
ATOM   261  C CB  . VAL   A 1 24  ? -13.399 -6.125  -34.912 1.00 73.38  ? 67  VAL   A CB  1 
ATOM   262  C CG1 . VAL   A 1 24  ? -12.767 -7.245  -34.110 1.00 71.16  ? 67  VAL   A CG1 1 
ATOM   263  C CG2 . VAL   A 1 24  ? -14.904 -6.352  -35.018 1.00 72.74  ? 67  VAL   A CG2 1 
ATOM   264  N N   . THR   A 1 25  ? -11.068 -4.441  -32.868 1.00 70.48  ? 68  THR   A N   1 
ATOM   265  C CA  . THR   A 1 25  ? -9.683  -3.994  -32.528 1.00 70.49  ? 68  THR   A CA  1 
ATOM   266  C C   . THR   A 1 25  ? -9.305  -4.488  -31.092 1.00 67.36  ? 68  THR   A C   1 
ATOM   267  O O   . THR   A 1 25  ? -10.172 -5.118  -30.457 1.00 63.45  ? 68  THR   A O   1 
ATOM   268  C CB  . THR   A 1 25  ? -9.608  -2.464  -32.639 1.00 71.51  ? 68  THR   A CB  1 
ATOM   269  O OG1 . THR   A 1 25  ? -8.227  -2.080  -32.496 1.00 73.06  ? 68  THR   A OG1 1 
ATOM   270  C CG2 . THR   A 1 25  ? -10.250 -1.763  -31.436 1.00 69.36  ? 68  THR   A CG2 1 
ATOM   271  N N   . GLY   A 1 26  ? -8.067  -4.193  -30.607 1.00 68.68  ? 69  GLY   A N   1 
ATOM   272  C CA  . GLY   A 1 26  ? -7.458  -4.689  -29.292 1.00 67.16  ? 69  GLY   A CA  1 
ATOM   273  C C   . GLY   A 1 26  ? -6.976  -6.148  -29.263 1.00 67.68  ? 69  GLY   A C   1 
ATOM   274  O O   . GLY   A 1 26  ? -7.740  -7.072  -29.752 1.00 69.43  ? 69  GLY   A O   1 
ATOM   275  N N   . ASN   A 1 27  ? -5.761  -6.372  -28.657 1.00 67.70  ? 70  ASN   A N   1 
ATOM   276  C CA  . ASN   A 1 27  ? -5.168  -7.734  -28.481 1.00 67.16  ? 70  ASN   A CA  1 
ATOM   277  C C   . ASN   A 1 27  ? -5.825  -8.286  -27.184 1.00 62.49  ? 70  ASN   A C   1 
ATOM   278  O O   . ASN   A 1 27  ? -6.730  -7.587  -26.590 1.00 59.89  ? 70  ASN   A O   1 
ATOM   279  C CB  . ASN   A 1 27  ? -3.627  -7.680  -28.481 1.00 70.35  ? 70  ASN   A CB  1 
ATOM   280  C CG  . ASN   A 1 27  ? -3.101  -7.083  -27.183 1.00 69.71  ? 70  ASN   A CG  1 
ATOM   281  O OD1 . ASN   A 1 27  ? -3.606  -6.051  -26.734 1.00 68.88  ? 70  ASN   A OD1 1 
ATOM   282  N ND2 . ASN   A 1 27  ? -2.117  -7.724  -26.563 1.00 71.16  ? 70  ASN   A ND2 1 
ATOM   283  N N   . SER   A 1 28  ? -5.406  -9.475  -26.691 1.00 60.94  ? 71  SER   A N   1 
ATOM   284  C CA  . SER   A 1 28  ? -6.070  -10.220 -25.570 1.00 59.24  ? 71  SER   A CA  1 
ATOM   285  C C   . SER   A 1 28  ? -5.002  -10.774 -24.615 1.00 58.81  ? 71  SER   A C   1 
ATOM   286  O O   . SER   A 1 28  ? -4.728  -11.988 -24.625 1.00 60.68  ? 71  SER   A O   1 
ATOM   287  C CB  . SER   A 1 28  ? -6.953  -11.350 -26.067 1.00 58.33  ? 71  SER   A CB  1 
ATOM   288  O OG  . SER   A 1 28  ? -7.608  -10.975 -27.272 1.00 60.52  ? 71  SER   A OG  1 
ATOM   289  N N   . PRO   A 1 29  ? -4.261  -9.896  -23.891 1.00 58.94  ? 72  PRO   A N   1 
ATOM   290  C CA  . PRO   A 1 29  ? -3.087  -10.343 -23.146 1.00 60.01  ? 72  PRO   A CA  1 
ATOM   291  C C   . PRO   A 1 29  ? -3.467  -11.082 -21.849 1.00 58.43  ? 72  PRO   A C   1 
ATOM   292  O O   . PRO   A 1 29  ? -4.476  -10.712 -21.235 1.00 55.36  ? 72  PRO   A O   1 
ATOM   293  C CB  . PRO   A 1 29  ? -2.351  -9.019  -22.884 1.00 61.15  ? 72  PRO   A CB  1 
ATOM   294  C CG  . PRO   A 1 29  ? -3.471  -8.009  -22.715 1.00 59.39  ? 72  PRO   A CG  1 
ATOM   295  C CD  . PRO   A 1 29  ? -4.535  -8.453  -23.703 1.00 58.98  ? 72  PRO   A CD  1 
ATOM   296  N N   . ARG   A 1 30  ? -2.693  -12.112 -21.502 1.00 60.29  ? 73  ARG   A N   1 
ATOM   297  C CA  . ARG   A 1 30  ? -2.753  -12.837 -20.202 1.00 60.97  ? 73  ARG   A CA  1 
ATOM   298  C C   . ARG   A 1 30  ? -1.728  -12.205 -19.250 1.00 60.23  ? 73  ARG   A C   1 
ATOM   299  O O   . ARG   A 1 30  ? -0.523  -12.372 -19.487 1.00 60.70  ? 73  ARG   A O   1 
ATOM   300  C CB  . ARG   A 1 30  ? -2.523  -14.344 -20.380 1.00 64.38  ? 73  ARG   A CB  1 
ATOM   301  C CG  . ARG   A 1 30  ? -3.701  -15.074 -21.020 1.00 66.38  ? 73  ARG   A CG  1 
ATOM   302  C CD  . ARG   A 1 30  ? -3.332  -16.413 -21.665 1.00 71.09  ? 73  ARG   A CD  1 
ATOM   303  N NE  . ARG   A 1 30  ? -4.304  -16.908 -22.651 1.00 73.40  ? 73  ARG   A NE  1 
ATOM   304  C CZ  . ARG   A 1 30  ? -5.467  -17.506 -22.362 1.00 73.85  ? 73  ARG   A CZ  1 
ATOM   305  N NH1 . ARG   A 1 30  ? -5.840  -17.672 -21.098 1.00 72.75  ? 73  ARG   A NH1 1 
ATOM   306  N NH2 . ARG   A 1 30  ? -6.264  -17.912 -23.340 1.00 72.36  ? 73  ARG   A NH2 1 
ATOM   307  N N   . LEU   A 1 31  ? -2.214  -11.494 -18.219 1.00 58.12  ? 74  LEU   A N   1 
ATOM   308  C CA  . LEU   A 1 31  ? -1.372  -10.732 -17.260 1.00 58.28  ? 74  LEU   A CA  1 
ATOM   309  C C   . LEU   A 1 31  ? -1.556  -11.286 -15.837 1.00 56.87  ? 74  LEU   A C   1 
ATOM   310  O O   . LEU   A 1 31  ? -2.716  -11.482 -15.422 1.00 54.99  ? 74  LEU   A O   1 
ATOM   311  C CB  . LEU   A 1 31  ? -1.778  -9.261  -17.346 1.00 57.62  ? 74  LEU   A CB  1 
ATOM   312  C CG  . LEU   A 1 31  ? -1.552  -8.581  -18.697 1.00 58.65  ? 74  LEU   A CG  1 
ATOM   313  C CD1 . LEU   A 1 31  ? -2.073  -7.145  -18.667 1.00 57.92  ? 74  LEU   A CD1 1 
ATOM   314  C CD2 . LEU   A 1 31  ? -0.082  -8.610  -19.090 1.00 61.27  ? 74  LEU   A CD2 1 
ATOM   315  N N   . ASP   A 1 32  ? -0.452  -11.516 -15.120 1.00 57.84  ? 75  ASP   A N   1 
ATOM   316  C CA  . ASP   A 1 32  ? -0.444  -11.835 -13.667 1.00 57.27  ? 75  ASP   A CA  1 
ATOM   317  C C   . ASP   A 1 32  ? -0.603  -10.548 -12.859 1.00 55.50  ? 75  ASP   A C   1 
ATOM   318  O O   . ASP   A 1 32  ? 0.308   -9.695  -12.912 1.00 56.78  ? 75  ASP   A O   1 
ATOM   319  C CB  . ASP   A 1 32  ? 0.864   -12.490 -13.242 1.00 60.58  ? 75  ASP   A CB  1 
ATOM   320  C CG  . ASP   A 1 32  ? 1.013   -13.916 -13.731 1.00 61.73  ? 75  ASP   A CG  1 
ATOM   321  O OD1 . ASP   A 1 32  ? -0.015  -14.656 -13.654 1.00 60.64  ? 75  ASP   A OD1 1 
ATOM   322  O OD2 . ASP   A 1 32  ? 2.166   -14.270 -14.098 1.00 64.92  ? 75  ASP   A OD2 1 
ATOM   323  N N   . VAL   A 1 33  ? -1.698  -10.425 -12.111 1.00 52.72  ? 76  VAL   A N   1 
ATOM   324  C CA  . VAL   A 1 33  ? -2.033  -9.149  -11.417 1.00 51.83  ? 76  VAL   A CA  1 
ATOM   325  C C   . VAL   A 1 33  ? -2.356  -9.425  -9.939  1.00 51.30  ? 76  VAL   A C   1 
ATOM   326  O O   . VAL   A 1 33  ? -2.708  -10.582 -9.578  1.00 50.48  ? 76  VAL   A O   1 
ATOM   327  C CB  . VAL   A 1 33  ? -3.154  -8.373  -12.142 1.00 49.66  ? 76  VAL   A CB  1 
ATOM   328  C CG1 . VAL   A 1 33  ? -2.943  -8.362  -13.657 1.00 50.06  ? 76  VAL   A CG1 1 
ATOM   329  C CG2 . VAL   A 1 33  ? -4.548  -8.890  -11.816 1.00 47.48  ? 76  VAL   A CG2 1 
ATOM   330  N N   . ALA   A 1 34  ? -2.233  -8.367  -9.139  1.00 51.32  ? 77  ALA   A N   1 
ATOM   331  C CA  . ALA   A 1 34  ? -2.542  -8.317  -7.690  1.00 51.09  ? 77  ALA   A CA  1 
ATOM   332  C C   . ALA   A 1 34  ? -3.558  -7.197  -7.467  1.00 48.93  ? 77  ALA   A C   1 
ATOM   333  O O   . ALA   A 1 34  ? -3.463  -6.167  -8.154  1.00 48.64  ? 77  ALA   A O   1 
ATOM   334  C CB  . ALA   A 1 34  ? -1.272  -8.102  -6.905  1.00 53.90  ? 77  ALA   A CB  1 
ATOM   335  N N   . LEU   A 1 35  ? -4.524  -7.415  -6.572  1.00 47.39  ? 78  LEU   A N   1 
ATOM   336  C CA  . LEU   A 1 35  ? -5.567  -6.425  -6.223  1.00 45.63  ? 78  LEU   A CA  1 
ATOM   337  C C   . LEU   A 1 35  ? -5.377  -6.012  -4.751  1.00 47.07  ? 78  LEU   A C   1 
ATOM   338  O O   . LEU   A 1 35  ? -5.459  -6.911  -3.865  1.00 48.01  ? 78  LEU   A O   1 
ATOM   339  C CB  . LEU   A 1 35  ? -6.937  -7.055  -6.507  1.00 43.33  ? 78  LEU   A CB  1 
ATOM   340  C CG  . LEU   A 1 35  ? -8.145  -6.199  -6.133  1.00 41.85  ? 78  LEU   A CG  1 
ATOM   341  C CD1 . LEU   A 1 35  ? -8.159  -4.872  -6.861  1.00 41.30  ? 78  LEU   A CD1 1 
ATOM   342  C CD2 . LEU   A 1 35  ? -9.447  -6.954  -6.350  1.00 40.07  ? 78  LEU   A CD2 1 
ATOM   343  N N   . ASP   A 1 36  ? -5.064  -4.729  -4.514  1.00 47.28  ? 79  ASP   A N   1 
ATOM   344  C CA  . ASP   A 1 36  ? -4.783  -4.167  -3.166  1.00 48.96  ? 79  ASP   A CA  1 
ATOM   345  C C   . ASP   A 1 36  ? -6.109  -3.756  -2.519  1.00 47.52  ? 79  ASP   A C   1 
ATOM   346  O O   . ASP   A 1 36  ? -7.166  -3.711  -3.220  1.00 44.39  ? 79  ASP   A O   1 
ATOM   347  C CB  . ASP   A 1 36  ? -3.731  -3.048  -3.216  1.00 50.86  ? 79  ASP   A CB  1 
ATOM   348  C CG  . ASP   A 1 36  ? -4.207  -1.632  -3.642  1.00 50.08  ? 79  ASP   A CG  1 
ATOM   349  O OD1 . ASP   A 1 36  ? -5.407  -1.438  -3.884  1.00 47.77  ? 79  ASP   A OD1 1 
ATOM   350  O OD2 . ASP   A 1 36  ? -3.339  -0.729  -3.713  1.00 52.21  ? 79  ASP   A OD2 1 
ATOM   351  N N   . GLU   A 1 37  ? -6.061  -3.469  -1.208  1.00 49.32  ? 80  GLU   A N   1 
ATOM   352  C CA  . GLU   A 1 37  ? -7.282  -3.206  -0.411  1.00 48.86  ? 80  GLU   A CA  1 
ATOM   353  C C   . GLU   A 1 37  ? -7.952  -1.894  -0.914  1.00 47.39  ? 80  GLU   A C   1 
ATOM   354  O O   . GLU   A 1 37  ? -9.185  -1.775  -0.778  1.00 45.99  ? 80  GLU   A O   1 
ATOM   355  C CB  . GLU   A 1 37  ? -6.904  -3.253  1.086   1.00 51.73  ? 80  GLU   A CB  1 
ATOM   356  C CG  . GLU   A 1 37  ? -8.088  -3.047  2.009   1.00 52.04  ? 80  GLU   A CG  1 
ATOM   357  C CD  . GLU   A 1 37  ? -7.670  -2.764  3.452   1.00 55.49  ? 80  GLU   A CD  1 
ATOM   358  O OE1 . GLU   A 1 37  ? -7.397  -1.577  3.776   1.00 57.04  ? 80  GLU   A OE1 1 
ATOM   359  O OE2 . GLU   A 1 37  ? -7.555  -3.727  4.244   1.00 57.76  ? 80  GLU   A OE2 1 
ATOM   360  N N   . SER   A 1 38  ? -7.201  -0.979  -1.542  1.00 48.04  ? 81  SER   A N   1 
ATOM   361  C CA  . SER   A 1 38  ? -7.726  0.291   -2.122  1.00 47.31  ? 81  SER   A CA  1 
ATOM   362  C C   . SER   A 1 38  ? -8.297  0.074   -3.543  1.00 44.93  ? 81  SER   A C   1 
ATOM   363  O O   . SER   A 1 38  ? -8.641  1.078   -4.206  1.00 44.36  ? 81  SER   A O   1 
ATOM   364  C CB  . SER   A 1 38  ? -6.671  1.358   -2.151  1.00 49.70  ? 81  SER   A CB  1 
ATOM   365  O OG  . SER   A 1 38  ? -6.301  1.733   -0.841  1.00 52.41  ? 81  SER   A OG  1 
ATOM   366  N N   . GLY   A 1 39  ? -8.423  -1.170  -4.017  1.00 43.77  ? 82  GLY   A N   1 
ATOM   367  C CA  . GLY   A 1 39  ? -9.029  -1.464  -5.342  1.00 41.85  ? 82  GLY   A CA  1 
ATOM   368  C C   . GLY   A 1 39  ? -8.110  -1.168  -6.539  1.00 42.50  ? 82  GLY   A C   1 
ATOM   369  O O   . GLY   A 1 39  ? -8.634  -1.197  -7.682  1.00 40.82  ? 82  GLY   A O   1 
ATOM   370  N N   . ASP   A 1 40  ? -6.799  -0.989  -6.314  1.00 45.15  ? 83  ASP   A N   1 
ATOM   371  C CA  . ASP   A 1 40  ? -5.752  -0.764  -7.348  1.00 46.80  ? 83  ASP   A CA  1 
ATOM   372  C C   . ASP   A 1 40  ? -5.175  -2.112  -7.784  1.00 47.17  ? 83  ASP   A C   1 
ATOM   373  O O   . ASP   A 1 40  ? -4.559  -2.808  -6.935  1.00 48.41  ? 83  ASP   A O   1 
ATOM   374  C CB  . ASP   A 1 40  ? -4.618  0.140   -6.853  1.00 49.82  ? 83  ASP   A CB  1 
ATOM   375  C CG  . ASP   A 1 40  ? -5.091  1.484   -6.330  1.00 50.76  ? 83  ASP   A CG  1 
ATOM   376  O OD1 . ASP   A 1 40  ? -5.770  2.202   -7.079  1.00 49.49  ? 83  ASP   A OD1 1 
ATOM   377  O OD2 . ASP   A 1 40  ? -4.813  1.778   -5.148  1.00 53.36  ? 83  ASP   A OD2 1 
ATOM   378  N N   . PHE   A 1 41  ? -5.344  -2.462  -9.067  1.00 46.24  ? 84  PHE   A N   1 
ATOM   379  C CA  . PHE   A 1 41  ? -4.660  -3.624  -9.704  1.00 46.87  ? 84  PHE   A CA  1 
ATOM   380  C C   . PHE   A 1 41  ? -3.196  -3.263  -9.945  1.00 50.28  ? 84  PHE   A C   1 
ATOM   381  O O   . PHE   A 1 41  ? -2.940  -2.081  -10.208 1.00 52.17  ? 84  PHE   A O   1 
ATOM   382  C CB  . PHE   A 1 41  ? -5.327  -4.020  -11.028 1.00 44.31  ? 84  PHE   A CB  1 
ATOM   383  C CG  . PHE   A 1 41  ? -6.664  -4.717  -10.925 1.00 41.62  ? 84  PHE   A CG  1 
ATOM   384  C CD1 . PHE   A 1 41  ? -6.753  -6.022  -10.546 1.00 41.08  ? 84  PHE   A CD1 1 
ATOM   385  C CD2 . PHE   A 1 41  ? -7.844  -4.062  -11.281 1.00 39.55  ? 84  PHE   A CD2 1 
ATOM   386  C CE1 . PHE   A 1 41  ? -7.989  -6.652  -10.473 1.00 39.41  ? 84  PHE   A CE1 1 
ATOM   387  C CE2 . PHE   A 1 41  ? -9.065  -4.723  -11.200 1.00 37.93  ? 84  PHE   A CE2 1 
ATOM   388  C CZ  . PHE   A 1 41  ? -9.141  -6.011  -10.818 1.00 37.70  ? 84  PHE   A CZ  1 
ATOM   389  N N   . SER   A 1 42  ? -2.278  -4.231  -9.860  1.00 52.66  ? 85  SER   A N   1 
ATOM   390  C CA  . SER   A 1 42  ? -0.833  -4.030  -10.135 1.00 56.48  ? 85  SER   A CA  1 
ATOM   391  C C   . SER   A 1 42  ? -0.262  -5.282  -10.818 1.00 57.93  ? 85  SER   A C   1 
ATOM   392  O O   . SER   A 1 42  ? -0.831  -6.380  -10.623 1.00 56.33  ? 85  SER   A O   1 
ATOM   393  C CB  . SER   A 1 42  ? -0.090  -3.662  -8.871  1.00 59.16  ? 85  SER   A CB  1 
ATOM   394  O OG  . SER   A 1 42  ? -0.247  -4.663  -7.871  1.00 59.06  ? 85  SER   A OG  1 
ATOM   395  N N   . LEU   A 1 43  ? 0.785   -5.115  -11.635 1.00 61.42  ? 86  LEU   A N   1 
ATOM   396  C CA  . LEU   A 1 43  ? 1.457   -6.238  -12.343 1.00 63.65  ? 86  LEU   A CA  1 
ATOM   397  C C   . LEU   A 1 43  ? 2.381   -6.978  -11.378 1.00 66.21  ? 86  LEU   A C   1 
ATOM   398  O O   . LEU   A 1 43  ? 3.306   -6.348  -10.850 1.00 68.26  ? 86  LEU   A O   1 
ATOM   399  C CB  . LEU   A 1 43  ? 2.259   -5.710  -13.538 1.00 65.98  ? 86  LEU   A CB  1 
ATOM   400  C CG  . LEU   A 1 43  ? 1.416   -5.218  -14.709 1.00 64.95  ? 86  LEU   A CG  1 
ATOM   401  C CD1 . LEU   A 1 43  ? 2.301   -4.755  -15.854 1.00 68.03  ? 86  LEU   A CD1 1 
ATOM   402  C CD2 . LEU   A 1 43  ? 0.455   -6.305  -15.179 1.00 63.00  ? 86  LEU   A CD2 1 
ATOM   403  N N   . VAL   A 1 44  ? 2.130   -8.273  -11.199 1.00 67.12  ? 87  VAL   A N   1 
ATOM   404  C CA  . VAL   A 1 44  ? 3.103   -9.270  -10.663 1.00 71.03  ? 87  VAL   A CA  1 
ATOM   405  C C   . VAL   A 1 44  ? 3.990   -9.686  -11.843 1.00 74.40  ? 87  VAL   A C   1 
ATOM   406  O O   . VAL   A 1 44  ? 3.523   -9.562  -12.995 1.00 74.91  ? 87  VAL   A O   1 
ATOM   407  C CB  . VAL   A 1 44  ? 2.369   -10.478 -10.050 1.00 69.35  ? 87  VAL   A CB  1 
ATOM   408  C CG1 . VAL   A 1 44  ? 3.327   -11.441 -9.356  1.00 71.80  ? 87  VAL   A CG1 1 
ATOM   409  C CG2 . VAL   A 1 44  ? 1.253   -10.039 -9.110  1.00 67.02  ? 87  VAL   A CG2 1 
ATOM   410  N N   . GLU   A 1 45  ? 5.211   -10.149 -11.588 1.00 79.81  ? 88  GLU   A N   1 
ATOM   411  C CA  . GLU   A 1 45  ? 6.190   -10.507 -12.656 1.00 83.58  ? 88  GLU   A CA  1 
ATOM   412  C C   . GLU   A 1 45  ? 7.018   -11.720 -12.215 1.00 85.86  ? 88  GLU   A C   1 
ATOM   413  O O   . GLU   A 1 45  ? 6.685   -12.362 -11.169 1.00 85.72  ? 88  GLU   A O   1 
ATOM   414  C CB  . GLU   A 1 45  ? 7.055   -9.284  -12.974 1.00 87.04  ? 88  GLU   A CB  1 
ATOM   415  C CG  . GLU   A 1 45  ? 6.301   -8.182  -13.712 1.00 86.09  ? 88  GLU   A CG  1 
ATOM   416  C CD  . GLU   A 1 45  ? 6.171   -8.398  -15.208 1.00 85.93  ? 88  GLU   A CD  1 
ATOM   417  O OE1 . GLU   A 1 45  ? 6.673   -9.441  -15.697 1.00 87.37  ? 88  GLU   A OE1 1 
ATOM   418  O OE2 . GLU   A 1 45  ? 5.577   -7.515  -15.881 1.00 85.60  ? 88  GLU   A OE2 1 
ATOM   419  N N   . GLY   B 2 7   ? -36.604 12.320  -12.033 1.00 61.52  ? 16  GLY   B N   1 
ATOM   420  C CA  . GLY   B 2 7   ? -35.368 12.204  -12.904 1.00 61.13  ? 16  GLY   B CA  1 
ATOM   421  C C   . GLY   B 2 7   ? -35.523 11.161  -14.004 1.00 60.37  ? 16  GLY   B C   1 
ATOM   422  O O   . GLY   B 2 7   ? -36.526 10.416  -13.982 1.00 62.02  ? 16  GLY   B O   1 
ATOM   423  N N   . GLU   B 2 8   ? -34.573 11.099  -14.939 1.00 58.59  ? 17  GLU   B N   1 
ATOM   424  C CA  . GLU   B 2 8   ? -34.602 10.106  -16.043 1.00 57.52  ? 17  GLU   B CA  1 
ATOM   425  C C   . GLU   B 2 8   ? -34.186 8.738   -15.486 1.00 55.68  ? 17  GLU   B C   1 
ATOM   426  O O   . GLU   B 2 8   ? -33.069 8.607   -14.948 1.00 55.34  ? 17  GLU   B O   1 
ATOM   427  C CB  . GLU   B 2 8   ? -33.686 10.507  -17.199 1.00 58.07  ? 17  GLU   B CB  1 
ATOM   428  C CG  . GLU   B 2 8   ? -34.010 9.744   -18.465 1.00 59.39  ? 17  GLU   B CG  1 
ATOM   429  C CD  . GLU   B 2 8   ? -33.318 10.298  -19.694 1.00 59.91  ? 17  GLU   B CD  1 
ATOM   430  O OE1 . GLU   B 2 8   ? -32.304 11.026  -19.523 1.00 58.98  ? 17  GLU   B OE1 1 
ATOM   431  O OE2 . GLU   B 2 8   ? -33.832 10.042  -20.811 1.00 63.53  ? 17  GLU   B OE2 1 
ATOM   432  N N   A THR   B 2 9   ? -35.075 7.745   -15.580 0.25 55.64  ? 18  THR   B N   1 
ATOM   433  N N   B THR   B 2 9   ? -35.092 7.762   -15.643 0.25 55.39  ? 18  THR   B N   1 
ATOM   434  N N   C THR   B 2 9   ? -35.072 7.746   -15.617 0.25 55.60  ? 18  THR   B N   1 
ATOM   435  N N   D THR   B 2 9   ? -35.072 7.746   -15.617 0.25 55.60  ? 18  THR   B N   1 
ATOM   436  C CA  A THR   B 2 9   ? -34.825 6.358   -15.107 0.25 54.96  ? 18  THR   B CA  1 
ATOM   437  C CA  B THR   B 2 9   ? -35.018 6.382   -15.093 0.25 54.63  ? 18  THR   B CA  1 
ATOM   438  C CA  C THR   B 2 9   ? -34.888 6.370   -15.087 0.25 54.93  ? 18  THR   B CA  1 
ATOM   439  C CA  D THR   B 2 9   ? -34.888 6.370   -15.087 0.25 54.93  ? 18  THR   B CA  1 
ATOM   440  C C   A THR   B 2 9   ? -35.136 5.369   -16.233 0.25 54.81  ? 18  THR   B C   1 
ATOM   441  C C   B THR   B 2 9   ? -34.809 5.358   -16.217 0.25 54.42  ? 18  THR   B C   1 
ATOM   442  C C   C THR   B 2 9   ? -35.014 5.345   -16.221 0.25 54.75  ? 18  THR   B C   1 
ATOM   443  C C   D THR   B 2 9   ? -35.014 5.345   -16.221 0.25 54.75  ? 18  THR   B C   1 
ATOM   444  O O   A THR   B 2 9   ? -35.603 4.254   -15.927 0.25 55.15  ? 18  THR   B O   1 
ATOM   445  O O   B THR   B 2 9   ? -34.505 4.193   -15.887 0.25 54.35  ? 18  THR   B O   1 
ATOM   446  O O   C THR   B 2 9   ? -35.197 4.151   -15.903 0.25 55.04  ? 18  THR   B O   1 
ATOM   447  O O   D THR   B 2 9   ? -35.197 4.151   -15.903 0.25 55.04  ? 18  THR   B O   1 
ATOM   448  C CB  A THR   B 2 9   ? -35.648 6.037   -13.854 0.25 55.22  ? 18  THR   B CB  1 
ATOM   449  C CB  B THR   B 2 9   ? -36.301 6.048   -14.322 0.25 54.96  ? 18  THR   B CB  1 
ATOM   450  C CB  C THR   B 2 9   ? -35.901 6.088   -13.970 0.25 55.26  ? 18  THR   B CB  1 
ATOM   451  C CB  D THR   B 2 9   ? -35.901 6.088   -13.970 0.25 55.26  ? 18  THR   B CB  1 
ATOM   452  O OG1 A THR   B 2 9   ? -35.138 6.822   -12.775 0.25 55.07  ? 18  THR   B OG1 1 
ATOM   453  O OG1 B THR   B 2 9   ? -37.369 5.940   -15.265 0.25 55.64  ? 18  THR   B OG1 1 
ATOM   454  O OG1 C THR   B 2 9   ? -37.195 6.462   -14.443 0.25 56.16  ? 18  THR   B OG1 1 
ATOM   455  O OG1 D THR   B 2 9   ? -37.195 6.462   -14.443 0.25 56.16  ? 18  THR   B OG1 1 
ATOM   456  C CG2 A THR   B 2 9   ? -35.587 4.570   -13.491 0.25 55.28  ? 18  THR   B CG2 1 
ATOM   457  C CG2 B THR   B 2 9   ? -36.652 7.087   -13.280 0.25 54.82  ? 18  THR   B CG2 1 
ATOM   458  C CG2 C THR   B 2 9   ? -35.596 6.836   -12.691 0.25 54.96  ? 18  THR   B CG2 1 
ATOM   459  C CG2 D THR   B 2 9   ? -35.596 6.836   -12.691 0.25 54.96  ? 18  THR   B CG2 1 
ATOM   460  N N   . THR   B 2 10  ? -34.920 5.786   -17.483 1.00 54.48  ? 19  THR   B N   1 
ATOM   461  C CA  . THR   B 2 10  ? -34.967 4.892   -18.666 1.00 53.54  ? 19  THR   B CA  1 
ATOM   462  C C   . THR   B 2 10  ? -33.682 4.054   -18.701 1.00 51.05  ? 19  THR   B C   1 
ATOM   463  O O   . THR   B 2 10  ? -32.580 4.692   -18.658 1.00 50.65  ? 19  THR   B O   1 
ATOM   464  C CB  . THR   B 2 10  ? -35.112 5.707   -19.965 1.00 53.84  ? 19  THR   B CB  1 
ATOM   465  O OG1 . THR   B 2 10  ? -36.069 6.771   -19.843 1.00 54.45  ? 19  THR   B OG1 1 
ATOM   466  C CG2 . THR   B 2 10  ? -35.551 4.855   -21.130 1.00 54.36  ? 19  THR   B CG2 1 
ATOM   467  N N   . ASP   B 2 11  ? -33.788 2.709   -18.767 1.00 49.84  ? 20  ASP   B N   1 
ATOM   468  C CA  . ASP   B 2 11  ? -32.593 1.862   -19.052 1.00 48.82  ? 20  ASP   B CA  1 
ATOM   469  C C   . ASP   B 2 11  ? -31.709 2.522   -20.123 1.00 48.27  ? 20  ASP   B C   1 
ATOM   470  O O   . ASP   B 2 11  ? -32.272 3.202   -21.025 1.00 48.53  ? 20  ASP   B O   1 
ATOM   471  C CB  . ASP   B 2 11  ? -32.967 0.438   -19.479 1.00 49.49  ? 20  ASP   B CB  1 
ATOM   472  C CG  . ASP   B 2 11  ? -33.530 -0.434  -18.360 1.00 49.68  ? 20  ASP   B CG  1 
ATOM   473  O OD1 . ASP   B 2 11  ? -33.785 0.088   -17.244 1.00 48.88  ? 20  ASP   B OD1 1 
ATOM   474  O OD2 . ASP   B 2 11  ? -33.686 -1.649  -18.608 1.00 50.51  ? 20  ASP   B OD2 1 
ATOM   475  N N   . GLY   B 2 12  ? -30.379 2.373   -19.970 1.00 46.68  ? 21  GLY   B N   1 
ATOM   476  C CA  . GLY   B 2 12  ? -29.373 2.810   -20.957 1.00 46.22  ? 21  GLY   B CA  1 
ATOM   477  C C   . GLY   B 2 12  ? -28.079 3.194   -20.274 1.00 44.85  ? 21  GLY   B C   1 
ATOM   478  O O   . GLY   B 2 12  ? -27.924 2.888   -19.046 1.00 43.87  ? 21  GLY   B O   1 
ATOM   479  N N   . VAL   B 2 13  ? -27.172 3.787   -21.044 1.00 44.25  ? 22  VAL   B N   1 
ATOM   480  C CA  . VAL   B 2 13  ? -25.826 4.255   -20.620 1.00 43.32  ? 22  VAL   B CA  1 
ATOM   481  C C   . VAL   B 2 13  ? -25.952 5.763   -20.508 1.00 43.24  ? 22  VAL   B C   1 
ATOM   482  O O   . VAL   B 2 13  ? -26.785 6.401   -21.249 1.00 44.05  ? 22  VAL   B O   1 
ATOM   483  C CB  . VAL   B 2 13  ? -24.706 3.812   -21.589 1.00 43.53  ? 22  VAL   B CB  1 
ATOM   484  C CG1 . VAL   B 2 13  ? -24.957 4.287   -23.044 1.00 44.32  ? 22  VAL   B CG1 1 
ATOM   485  C CG2 . VAL   B 2 13  ? -23.321 4.238   -21.117 1.00 43.08  ? 22  VAL   B CG2 1 
ATOM   486  N N   . TYR   B 2 14  ? -25.279 6.302   -19.440 1.00 42.59  ? 23  TYR   B N   1 
ATOM   487  C CA  . TYR   B 2 14  ? -25.407 7.704   -19.062 1.00 42.57  ? 23  TYR   B CA  1 
ATOM   488  C C   . TYR   B 2 14  ? -23.988 8.215   -18.865 1.00 42.40  ? 23  TYR   B C   1 
ATOM   489  O O   . TYR   B 2 14  ? -23.067 7.443   -18.461 1.00 42.03  ? 23  TYR   B O   1 
ATOM   490  C CB  . TYR   B 2 14  ? -26.233 7.782   -17.803 1.00 42.04  ? 23  TYR   B CB  1 
ATOM   491  C CG  . TYR   B 2 14  ? -27.701 7.548   -18.068 1.00 42.39  ? 23  TYR   B CG  1 
ATOM   492  C CD1 . TYR   B 2 14  ? -28.196 6.309   -18.455 1.00 42.58  ? 23  TYR   B CD1 1 
ATOM   493  C CD2 . TYR   B 2 14  ? -28.601 8.604   -17.938 1.00 42.81  ? 23  TYR   B CD2 1 
ATOM   494  C CE1 . TYR   B 2 14  ? -29.565 6.110   -18.662 1.00 43.15  ? 23  TYR   B CE1 1 
ATOM   495  C CE2 . TYR   B 2 14  ? -29.970 8.429   -18.135 1.00 43.36  ? 23  TYR   B CE2 1 
ATOM   496  C CZ  . TYR   B 2 14  ? -30.449 7.186   -18.525 1.00 43.66  ? 23  TYR   B CZ  1 
ATOM   497  O OH  . TYR   B 2 14  ? -31.793 7.044   -18.691 1.00 44.68  ? 23  TYR   B OH  1 
ATOM   498  N N   . ARG   B 2 15  ? -23.786 9.516   -19.120 1.00 42.74  ? 24  ARG   B N   1 
ATOM   499  C CA  . ARG   B 2 15  ? -22.539 10.233  -18.777 1.00 43.02  ? 24  ARG   B CA  1 
ATOM   500  C C   . ARG   B 2 15  ? -22.653 10.729  -17.327 1.00 42.85  ? 24  ARG   B C   1 
ATOM   501  O O   . ARG   B 2 15  ? -23.761 11.054  -16.876 1.00 42.15  ? 24  ARG   B O   1 
ATOM   502  C CB  . ARG   B 2 15  ? -22.323 11.422  -19.708 1.00 43.99  ? 24  ARG   B CB  1 
ATOM   503  C CG  . ARG   B 2 15  ? -22.193 11.058  -21.186 1.00 44.66  ? 24  ARG   B CG  1 
ATOM   504  C CD  . ARG   B 2 15  ? -22.253 12.320  -22.027 1.00 45.82  ? 24  ARG   B CD  1 
ATOM   505  N NE  . ARG   B 2 15  ? -22.392 11.996  -23.444 1.00 46.48  ? 24  ARG   B NE  1 
ATOM   506  C CZ  . ARG   B 2 15  ? -21.381 11.735  -24.263 1.00 47.00  ? 24  ARG   B CZ  1 
ATOM   507  N NH1 . ARG   B 2 15  ? -20.133 11.798  -23.822 1.00 46.79  ? 24  ARG   B NH1 1 
ATOM   508  N NH2 . ARG   B 2 15  ? -21.624 11.430  -25.534 1.00 47.78  ? 24  ARG   B NH2 1 
ATOM   509  N N   . VAL   B 2 16  ? -21.506 10.809  -16.662 1.00 43.22  ? 25  VAL   B N   1 
ATOM   510  C CA  . VAL   B 2 16  ? -21.382 11.351  -15.290 1.00 43.38  ? 25  VAL   B CA  1 
ATOM   511  C C   . VAL   B 2 16  ? -20.528 12.618  -15.319 1.00 44.36  ? 25  VAL   B C   1 
ATOM   512  O O   . VAL   B 2 16  ? -19.308 12.509  -15.527 1.00 44.55  ? 25  VAL   B O   1 
ATOM   513  C CB  . VAL   B 2 16  ? -20.796 10.281  -14.356 1.00 43.01  ? 25  VAL   B CB  1 
ATOM   514  C CG1 . VAL   B 2 16  ? -21.004 10.703  -12.921 1.00 42.65  ? 25  VAL   B CG1 1 
ATOM   515  C CG2 . VAL   B 2 16  ? -21.403 8.901   -14.611 1.00 42.70  ? 25  VAL   B CG2 1 
ATOM   516  N N   . MET   B 2 17  ? -21.179 13.757  -15.028 1.00 45.59  ? 26  MET   B N   1 
ATOM   517  C CA  . MET   B 2 17  ? -20.678 15.134  -15.253 1.00 47.38  ? 26  MET   B CA  1 
ATOM   518  C C   . MET   B 2 17  ? -20.465 15.827  -13.900 1.00 48.41  ? 26  MET   B C   1 
ATOM   519  O O   . MET   B 2 17  ? -21.227 15.510  -12.939 1.00 47.10  ? 26  MET   B O   1 
ATOM   520  C CB  . MET   B 2 17  ? -21.722 15.951  -16.024 1.00 48.07  ? 26  MET   B CB  1 
ATOM   521  C CG  . MET   B 2 17  ? -22.183 15.356  -17.354 1.00 48.31  ? 26  MET   B CG  1 
ATOM   522  S SD  . MET   B 2 17  ? -20.847 15.014  -18.614 1.00 49.12  ? 26  MET   B SD  1 
ATOM   523  C CE  . MET   B 2 17  ? -20.108 16.658  -18.640 1.00 50.09  ? 26  MET   B CE  1 
ATOM   524  N N   . THR   B 2 18  ? -19.541 16.792  -13.856 1.00 50.53  ? 27  THR   B N   1 
ATOM   525  C CA  . THR   B 2 18  ? -19.395 17.770  -12.749 1.00 52.86  ? 27  THR   B CA  1 
ATOM   526  C C   . THR   B 2 18  ? -19.247 19.200  -13.298 1.00 55.54  ? 27  THR   B C   1 
ATOM   527  O O   . THR   B 2 18  ? -18.585 19.369  -14.343 1.00 55.56  ? 27  THR   B O   1 
ATOM   528  C CB  . THR   B 2 18  ? -18.196 17.424  -11.858 1.00 52.74  ? 27  THR   B CB  1 
ATOM   529  O OG1 . THR   B 2 18  ? -18.286 18.305  -10.733 1.00 53.07  ? 27  THR   B OG1 1 
ATOM   530  C CG2 . THR   B 2 18  ? -16.864 17.560  -12.570 1.00 53.23  ? 27  THR   B CG2 1 
ATOM   531  N N   . ARG   B 2 19  ? -19.784 20.183  -12.561 1.00 58.20  ? 28  ARG   B N   1 
ATOM   532  C CA  . ARG   B 2 19  ? -19.565 21.634  -12.805 1.00 61.65  ? 28  ARG   B CA  1 
ATOM   533  C C   . ARG   B 2 19  ? -18.585 22.222  -11.777 1.00 62.50  ? 28  ARG   B C   1 
ATOM   534  O O   . ARG   B 2 19  ? -18.408 23.454  -11.788 1.00 63.36  ? 28  ARG   B O   1 
ATOM   535  C CB  . ARG   B 2 19  ? -20.908 22.367  -12.804 1.00 63.55  ? 28  ARG   B CB  1 
ATOM   536  C CG  . ARG   B 2 19  ? -21.831 21.907  -13.921 1.00 64.47  ? 28  ARG   B CG  1 
ATOM   537  C CD  . ARG   B 2 19  ? -22.439 23.051  -14.705 1.00 66.58  ? 28  ARG   B CD  1 
ATOM   538  N NE  . ARG   B 2 19  ? -23.465 22.573  -15.628 1.00 67.54  ? 28  ARG   B NE  1 
ATOM   539  C CZ  . ARG   B 2 19  ? -24.690 22.181  -15.280 1.00 67.87  ? 28  ARG   B CZ  1 
ATOM   540  N NH1 . ARG   B 2 19  ? -25.067 22.197  -14.008 1.00 68.44  ? 28  ARG   B NH1 1 
ATOM   541  N NH2 . ARG   B 2 19  ? -25.539 21.767  -16.208 1.00 68.13  ? 28  ARG   B NH2 1 
ATOM   542  N N   . ARG   B 2 20  ? -17.909 21.377  -10.994 1.00 63.23  ? 29  ARG   B N   1 
ATOM   543  C CA  . ARG   B 2 20  ? -17.040 21.795  -9.856  1.00 65.47  ? 29  ARG   B CA  1 
ATOM   544  C C   . ARG   B 2 20  ? -15.671 22.240  -10.386 1.00 65.88  ? 29  ARG   B C   1 
ATOM   545  O O   . ARG   B 2 20  ? -14.933 22.914  -9.643  1.00 67.41  ? 29  ARG   B O   1 
ATOM   546  C CB  . ARG   B 2 20  ? -16.903 20.639  -8.859  1.00 66.25  ? 29  ARG   B CB  1 
ATOM   547  C CG  . ARG   B 2 20  ? -16.456 21.045  -7.462  1.00 68.51  ? 29  ARG   B CG  1 
ATOM   548  C CD  . ARG   B 2 20  ? -16.123 19.824  -6.617  1.00 69.68  ? 29  ARG   B CD  1 
ATOM   549  N NE  . ARG   B 2 20  ? -15.497 18.744  -7.385  1.00 70.47  ? 29  ARG   B NE  1 
ATOM   550  C CZ  . ARG   B 2 20  ? -14.201 18.660  -7.701  1.00 72.43  ? 29  ARG   B CZ  1 
ATOM   551  N NH1 . ARG   B 2 20  ? -13.345 19.600  -7.326  1.00 73.74  ? 29  ARG   B NH1 1 
ATOM   552  N NH2 . ARG   B 2 20  ? -13.761 17.630  -8.409  1.00 73.09  ? 29  ARG   B NH2 1 
ATOM   553  N N   . LEU   B 2 21  ? -15.342 21.853  -11.619 1.00 64.34  ? 30  LEU   B N   1 
ATOM   554  C CA  . LEU   B 2 21  ? -14.098 22.243  -12.329 1.00 64.18  ? 30  LEU   B CA  1 
ATOM   555  C C   . LEU   B 2 21  ? -14.478 23.226  -13.444 1.00 63.64  ? 30  LEU   B C   1 
ATOM   556  O O   . LEU   B 2 21  ? -15.639 23.710  -13.435 1.00 62.94  ? 30  LEU   B O   1 
ATOM   557  C CB  . LEU   B 2 21  ? -13.428 20.965  -12.848 1.00 63.95  ? 30  LEU   B CB  1 
ATOM   558  C CG  . LEU   B 2 21  ? -12.481 20.264  -11.875 1.00 64.25  ? 30  LEU   B CG  1 
ATOM   559  C CD1 . LEU   B 2 21  ? -13.068 20.185  -10.466 1.00 63.64  ? 30  LEU   B CD1 1 
ATOM   560  C CD2 . LEU   B 2 21  ? -12.126 18.876  -12.385 1.00 63.79  ? 30  LEU   B CD2 1 
ATOM   561  N N   . LEU   B 2 22  ? -13.538 23.552  -14.339 1.00 63.46  ? 31  LEU   B N   1 
ATOM   562  C CA  . LEU   B 2 22  ? -13.788 24.421  -15.523 1.00 63.32  ? 31  LEU   B CA  1 
ATOM   563  C C   . LEU   B 2 22  ? -14.964 23.835  -16.312 1.00 61.87  ? 31  LEU   B C   1 
ATOM   564  O O   . LEU   B 2 22  ? -15.019 22.594  -16.411 1.00 60.92  ? 31  LEU   B O   1 
ATOM   565  C CB  . LEU   B 2 22  ? -12.532 24.493  -16.395 1.00 64.07  ? 31  LEU   B CB  1 
ATOM   566  C CG  . LEU   B 2 22  ? -12.546 25.589  -17.457 1.00 65.46  ? 31  LEU   B CG  1 
ATOM   567  C CD1 . LEU   B 2 22  ? -12.220 26.948  -16.851 1.00 66.52  ? 31  LEU   B CD1 1 
ATOM   568  C CD2 . LEU   B 2 22  ? -11.582 25.258  -18.593 1.00 66.20  ? 31  LEU   B CD2 1 
ATOM   569  N N   . GLY   B 2 23  ? -15.871 24.688  -16.819 1.00 61.51  ? 32  GLY   B N   1 
ATOM   570  C CA  . GLY   B 2 23  ? -17.086 24.282  -17.557 1.00 60.01  ? 32  GLY   B CA  1 
ATOM   571  C C   . GLY   B 2 23  ? -17.742 23.034  -16.968 1.00 57.62  ? 32  GLY   B C   1 
ATOM   572  O O   . GLY   B 2 23  ? -17.827 22.929  -15.729 1.00 57.34  ? 32  GLY   B O   1 
ATOM   573  N N   . SER   B 2 24  ? -18.235 22.155  -17.845 1.00 56.12  ? 33  SER   B N   1 
ATOM   574  C CA  . SER   B 2 24  ? -18.842 20.834  -17.546 1.00 53.88  ? 33  SER   B CA  1 
ATOM   575  C C   . SER   B 2 24  ? -17.842 19.749  -17.927 1.00 52.59  ? 33  SER   B C   1 
ATOM   576  O O   . SER   B 2 24  ? -17.454 19.714  -19.116 1.00 52.85  ? 33  SER   B O   1 
ATOM   577  C CB  . SER   B 2 24  ? -20.120 20.654  -18.304 1.00 53.99  ? 33  SER   B CB  1 
ATOM   578  O OG  . SER   B 2 24  ? -21.002 21.753  -18.028 1.00 55.04  ? 33  SER   B OG  1 
ATOM   579  N N   . THR   B 2 25  ? -17.444 18.906  -16.972 1.00 50.48  ? 34  THR   B N   1 
ATOM   580  C CA  . THR   B 2 25  ? -16.380 17.893  -17.163 1.00 49.79  ? 34  THR   B CA  1 
ATOM   581  C C   . THR   B 2 25  ? -16.987 16.500  -16.993 1.00 48.01  ? 34  THR   B C   1 
ATOM   582  O O   . THR   B 2 25  ? -17.724 16.308  -16.021 1.00 47.07  ? 34  THR   B O   1 
ATOM   583  C CB  . THR   B 2 25  ? -15.193 18.187  -16.234 1.00 50.15  ? 34  THR   B CB  1 
ATOM   584  O OG1 . THR   B 2 25  ? -14.811 19.557  -16.423 1.00 51.59  ? 34  THR   B OG1 1 
ATOM   585  C CG2 . THR   B 2 25  ? -14.005 17.289  -16.503 1.00 50.23  ? 34  THR   B CG2 1 
ATOM   586  N N   . GLN   B 2 26  ? -16.736 15.579  -17.926 1.00 47.22  ? 35  GLN   B N   1 
ATOM   587  C CA  . GLN   B 2 26  ? -17.207 14.175  -17.779 1.00 45.80  ? 35  GLN   B CA  1 
ATOM   588  C C   . GLN   B 2 26  ? -16.199 13.442  -16.889 1.00 45.10  ? 35  GLN   B C   1 
ATOM   589  O O   . GLN   B 2 26  ? -15.029 13.280  -17.333 1.00 45.59  ? 35  GLN   B O   1 
ATOM   590  C CB  . GLN   B 2 26  ? -17.360 13.442  -19.113 1.00 45.84  ? 35  GLN   B CB  1 
ATOM   591  C CG  . GLN   B 2 26  ? -18.026 12.066  -18.964 1.00 44.79  ? 35  GLN   B CG  1 
ATOM   592  C CD  . GLN   B 2 26  ? -18.306 11.479  -20.330 1.00 45.11  ? 35  GLN   B CD  1 
ATOM   593  O OE1 . GLN   B 2 26  ? -19.091 12.052  -21.050 1.00 45.39  ? 35  GLN   B OE1 1 
ATOM   594  N NE2 . GLN   B 2 26  ? -17.707 10.333  -20.629 1.00 44.84  ? 35  GLN   B NE2 1 
ATOM   595  N N   . VAL   B 2 27  ? -16.643 13.071  -15.677 1.00 43.88  ? 36  VAL   B N   1 
ATOM   596  C CA  . VAL   B 2 27  ? -15.837 12.362  -14.629 1.00 43.14  ? 36  VAL   B CA  1 
ATOM   597  C C   . VAL   B 2 27  ? -15.993 10.835  -14.910 1.00 42.10  ? 36  VAL   B C   1 
ATOM   598  O O   . VAL   B 2 27  ? -15.059 10.049  -14.449 1.00 41.86  ? 36  VAL   B O   1 
ATOM   599  C CB  . VAL   B 2 27  ? -16.227 12.877  -13.223 1.00 42.89  ? 36  VAL   B CB  1 
ATOM   600  C CG1 . VAL   B 2 27  ? -15.745 14.313  -13.010 1.00 43.76  ? 36  VAL   B CG1 1 
ATOM   601  C CG2 . VAL   B 2 27  ? -17.720 12.794  -12.943 1.00 42.45  ? 36  VAL   B CG2 1 
ATOM   602  N N   . GLY   B 2 28  ? -17.044 10.409  -15.708 1.00 41.42  ? 37  GLY   B N   1 
ATOM   603  C CA  . GLY   B 2 28  ? -17.179 9.019   -16.254 1.00 40.56  ? 37  GLY   B CA  1 
ATOM   604  C C   . GLY   B 2 28  ? -18.589 8.742   -16.743 1.00 39.99  ? 37  GLY   B C   1 
ATOM   605  O O   . GLY   B 2 28  ? -19.299 9.688   -17.146 1.00 40.50  ? 37  GLY   B O   1 
ATOM   606  N N   . VAL   B 2 29  ? -18.989 7.469   -16.621 1.00 39.18  ? 38  VAL   B N   1 
ATOM   607  C CA  . VAL   B 2 29  ? -20.173 6.821   -17.229 1.00 38.93  ? 38  VAL   B CA  1 
ATOM   608  C C   . VAL   B 2 29  ? -20.815 5.808   -16.256 1.00 38.23  ? 38  VAL   B C   1 
ATOM   609  O O   . VAL   B 2 29  ? -20.070 5.348   -15.323 1.00 37.71  ? 38  VAL   B O   1 
ATOM   610  C CB  . VAL   B 2 29  ? -19.642 6.079   -18.469 1.00 39.43  ? 38  VAL   B CB  1 
ATOM   611  C CG1 . VAL   B 2 29  ? -20.760 5.391   -19.233 1.00 39.54  ? 38  VAL   B CG1 1 
ATOM   612  C CG2 . VAL   B 2 29  ? -18.857 7.013   -19.369 1.00 40.08  ? 38  VAL   B CG2 1 
ATOM   613  N N   . GLY   B 2 30  ? -22.077 5.429   -16.520 1.00 38.07  ? 39  GLY   B N   1 
ATOM   614  C CA  . GLY   B 2 30  ? -22.719 4.339   -15.779 1.00 37.62  ? 39  GLY   B CA  1 
ATOM   615  C C   . GLY   B 2 30  ? -23.915 3.792   -16.500 1.00 37.95  ? 39  GLY   B C   1 
ATOM   616  O O   . GLY   B 2 30  ? -24.282 4.340   -17.601 1.00 38.39  ? 39  GLY   B O   1 
ATOM   617  N N   . VAL   B 2 31  ? -24.502 2.757   -15.922 1.00 37.70  ? 40  VAL   B N   1 
ATOM   618  C CA  . VAL   B 2 31  ? -25.601 1.948   -16.506 1.00 38.28  ? 40  VAL   B CA  1 
ATOM   619  C C   . VAL   B 2 31  ? -26.849 2.116   -15.657 1.00 38.56  ? 40  VAL   B C   1 
ATOM   620  O O   . VAL   B 2 31  ? -26.756 1.824   -14.422 1.00 37.97  ? 40  VAL   B O   1 
ATOM   621  C CB  . VAL   B 2 31  ? -25.206 0.468   -16.591 1.00 38.35  ? 40  VAL   B CB  1 
ATOM   622  C CG1 . VAL   B 2 31  ? -26.401 -0.418  -17.027 1.00 38.88  ? 40  VAL   B CG1 1 
ATOM   623  C CG2 . VAL   B 2 31  ? -24.028 0.287   -17.541 1.00 38.47  ? 40  VAL   B CG2 1 
ATOM   624  N N   . MET   B 2 32  ? -27.960 2.518   -16.289 1.00 39.26  ? 41  MET   B N   1 
ATOM   625  C CA  . MET   B 2 32  ? -29.286 2.538   -15.636 1.00 39.77  ? 41  MET   B CA  1 
ATOM   626  C C   . MET   B 2 32  ? -30.010 1.239   -16.030 1.00 40.68  ? 41  MET   B C   1 
ATOM   627  O O   . MET   B 2 32  ? -30.201 0.969   -17.251 1.00 40.90  ? 41  MET   B O   1 
ATOM   628  C CB  . MET   B 2 32  ? -30.047 3.807   -16.048 1.00 40.06  ? 41  MET   B CB  1 
ATOM   629  C CG  . MET   B 2 32  ? -31.335 4.050   -15.310 1.00 40.29  ? 41  MET   B CG  1 
ATOM   630  S SD  . MET   B 2 32  ? -31.084 4.483   -13.551 1.00 39.74  ? 41  MET   B SD  1 
ATOM   631  C CE  . MET   B 2 32  ? -30.316 6.094   -13.698 1.00 39.46  ? 41  MET   B CE  1 
ATOM   632  N N   . GLN   B 2 33  ? -30.325 0.396   -15.047 1.00 41.07  ? 42  GLN   B N   1 
ATOM   633  C CA  . GLN   B 2 33  ? -31.032 -0.888  -15.267 1.00 42.23  ? 42  GLN   B CA  1 
ATOM   634  C C   . GLN   B 2 33  ? -31.954 -1.158  -14.084 1.00 42.60  ? 42  GLN   B C   1 
ATOM   635  O O   . GLN   B 2 33  ? -31.500 -1.010  -12.932 1.00 42.26  ? 42  GLN   B O   1 
ATOM   636  C CB  . GLN   B 2 33  ? -30.065 -2.054  -15.522 1.00 42.57  ? 42  GLN   B CB  1 
ATOM   637  C CG  . GLN   B 2 33  ? -30.825 -3.348  -15.795 1.00 43.72  ? 42  GLN   B CG  1 
ATOM   638  C CD  . GLN   B 2 33  ? -30.064 -4.444  -16.508 1.00 44.28  ? 42  GLN   B CD  1 
ATOM   639  O OE1 . GLN   B 2 33  ? -30.208 -5.631  -16.177 1.00 45.24  ? 42  GLN   B OE1 1 
ATOM   640  N NE2 . GLN   B 2 33  ? -29.217 -4.058  -17.452 1.00 44.09  ? 42  GLN   B NE2 1 
ATOM   641  N N   . GLU   B 2 34  ? -33.206 -1.498  -14.380 1.00 43.53  ? 43  GLU   B N   1 
ATOM   642  C CA  . GLU   B 2 34  ? -34.291 -1.785  -13.414 1.00 43.95  ? 43  GLU   B CA  1 
ATOM   643  C C   . GLU   B 2 34  ? -34.361 -0.690  -12.345 1.00 42.91  ? 43  GLU   B C   1 
ATOM   644  O O   . GLU   B 2 34  ? -34.644 -1.026  -11.207 1.00 43.10  ? 43  GLU   B O   1 
ATOM   645  C CB  . GLU   B 2 34  ? -34.045 -3.142  -12.757 1.00 44.84  ? 43  GLU   B CB  1 
ATOM   646  C CG  . GLU   B 2 34  ? -34.183 -4.314  -13.695 1.00 45.95  ? 43  GLU   B CG  1 
ATOM   647  C CD  . GLU   B 2 34  ? -33.515 -5.601  -13.237 1.00 46.54  ? 43  GLU   B CD  1 
ATOM   648  O OE1 . GLU   B 2 34  ? -34.031 -6.237  -12.296 1.00 47.47  ? 43  GLU   B OE1 1 
ATOM   649  O OE2 . GLU   B 2 34  ? -32.491 -5.982  -13.849 1.00 46.97  ? 43  GLU   B OE2 1 
ATOM   650  N N   . GLY   B 2 35  ? -34.115 0.577   -12.690 1.00 41.71  ? 44  GLY   B N   1 
ATOM   651  C CA  . GLY   B 2 35  ? -34.298 1.714   -11.776 1.00 40.84  ? 44  GLY   B CA  1 
ATOM   652  C C   . GLY   B 2 35  ? -33.087 1.933   -10.887 1.00 39.51  ? 44  GLY   B C   1 
ATOM   653  O O   . GLY   B 2 35  ? -33.152 2.845   -10.060 1.00 39.30  ? 44  GLY   B O   1 
ATOM   654  N N   . VAL   B 2 36  ? -32.016 1.170   -11.105 1.00 38.58  ? 45  VAL   B N   1 
ATOM   655  C CA  . VAL   B 2 36  ? -30.723 1.272   -10.376 1.00 37.50  ? 45  VAL   B CA  1 
ATOM   656  C C   . VAL   B 2 36  ? -29.645 1.812   -11.313 1.00 36.71  ? 45  VAL   B C   1 
ATOM   657  O O   . VAL   B 2 36  ? -29.517 1.291   -12.478 1.00 36.91  ? 45  VAL   B O   1 
ATOM   658  C CB  . VAL   B 2 36  ? -30.350 -0.087  -9.738  1.00 37.60  ? 45  VAL   B CB  1 
ATOM   659  C CG1 . VAL   B 2 36  ? -28.925 -0.113  -9.208  1.00 37.01  ? 45  VAL   B CG1 1 
ATOM   660  C CG2 . VAL   B 2 36  ? -31.327 -0.435  -8.622  1.00 38.09  ? 45  VAL   B CG2 1 
ATOM   661  N N   . PHE   B 2 37  ? -28.895 2.803   -10.825 1.00 35.84  ? 46  PHE   B N   1 
ATOM   662  C CA  . PHE   B 2 37  ? -27.722 3.382   -11.515 1.00 35.27  ? 46  PHE   B CA  1 
ATOM   663  C C   . PHE   B 2 37  ? -26.456 2.693   -10.992 1.00 34.82  ? 46  PHE   B C   1 
ATOM   664  O O   . PHE   B 2 37  ? -26.211 2.686   -9.744  1.00 34.60  ? 46  PHE   B O   1 
ATOM   665  C CB  . PHE   B 2 37  ? -27.657 4.905   -11.422 1.00 35.18  ? 46  PHE   B CB  1 
ATOM   666  C CG  . PHE   B 2 37  ? -26.657 5.514   -12.373 1.00 35.18  ? 46  PHE   B CG  1 
ATOM   667  C CD1 . PHE   B 2 37  ? -26.810 5.369   -13.748 1.00 35.54  ? 46  PHE   B CD1 1 
ATOM   668  C CD2 . PHE   B 2 37  ? -25.547 6.194   -11.902 1.00 34.96  ? 46  PHE   B CD2 1 
ATOM   669  C CE1 . PHE   B 2 37  ? -25.889 5.915   -14.632 1.00 35.65  ? 46  PHE   B CE1 1 
ATOM   670  C CE2 . PHE   B 2 37  ? -24.616 6.728   -12.787 1.00 35.09  ? 46  PHE   B CE2 1 
ATOM   671  C CZ  . PHE   B 2 37  ? -24.800 6.604   -14.152 1.00 35.46  ? 46  PHE   B CZ  1 
ATOM   672  N N   A HIS   B 2 38  ? -25.717 2.068   -11.916 0.23 34.83  ? 47  HIS   B N   1 
ATOM   673  N N   B HIS   B 2 38  ? -25.717 2.068   -11.917 0.22 34.83  ? 47  HIS   B N   1 
ATOM   674  N N   C HIS   B 2 38  ? -25.652 2.169   -11.924 0.27 34.80  ? 47  HIS   B N   1 
ATOM   675  N N   D HIS   B 2 38  ? -25.652 2.169   -11.923 0.28 34.80  ? 47  HIS   B N   1 
ATOM   676  C CA  A HIS   B 2 38  ? -24.410 1.383   -11.706 0.23 34.60  ? 47  HIS   B CA  1 
ATOM   677  C CA  B HIS   B 2 38  ? -24.410 1.382   -11.706 0.22 34.60  ? 47  HIS   B CA  1 
ATOM   678  C CA  C HIS   B 2 38  ? -24.414 1.368   -11.698 0.27 34.59  ? 47  HIS   B CA  1 
ATOM   679  C CA  D HIS   B 2 38  ? -24.414 1.368   -11.698 0.28 34.59  ? 47  HIS   B CA  1 
ATOM   680  C C   A HIS   B 2 38  ? -23.255 2.266   -12.205 0.23 34.48  ? 47  HIS   B C   1 
ATOM   681  C C   B HIS   B 2 38  ? -23.255 2.265   -12.205 0.22 34.48  ? 47  HIS   B C   1 
ATOM   682  C C   C HIS   B 2 38  ? -23.177 2.090   -12.259 0.27 34.48  ? 47  HIS   B C   1 
ATOM   683  C C   D HIS   B 2 38  ? -23.177 2.089   -12.259 0.28 34.48  ? 47  HIS   B C   1 
ATOM   684  O O   A HIS   B 2 38  ? -23.354 2.776   -13.355 0.23 34.72  ? 47  HIS   B O   1 
ATOM   685  O O   B HIS   B 2 38  ? -23.355 2.776   -13.355 0.22 34.72  ? 47  HIS   B O   1 
ATOM   686  O O   C HIS   B 2 38  ? -23.126 2.306   -13.504 0.27 34.74  ? 47  HIS   B O   1 
ATOM   687  O O   D HIS   B 2 38  ? -23.125 2.305   -13.505 0.28 34.74  ? 47  HIS   B O   1 
ATOM   688  C CB  A HIS   B 2 38  ? -24.359 0.056   -12.477 0.23 34.87  ? 47  HIS   B CB  1 
ATOM   689  C CB  B HIS   B 2 38  ? -24.359 0.056   -12.478 0.22 34.87  ? 47  HIS   B CB  1 
ATOM   690  C CB  C HIS   B 2 38  ? -24.548 0.001   -12.379 0.27 34.87  ? 47  HIS   B CB  1 
ATOM   691  C CB  D HIS   B 2 38  ? -24.548 0.001   -12.379 0.28 34.87  ? 47  HIS   B CB  1 
ATOM   692  C CG  A HIS   B 2 38  ? -25.505 -0.864  -12.176 0.23 35.19  ? 47  HIS   B CG  1 
ATOM   693  C CG  B HIS   B 2 38  ? -25.504 -0.865  -12.177 0.22 35.19  ? 47  HIS   B CG  1 
ATOM   694  C CG  C HIS   B 2 38  ? -25.774 -0.757  -11.967 0.27 35.17  ? 47  HIS   B CG  1 
ATOM   695  C CG  D HIS   B 2 38  ? -25.774 -0.757  -11.968 0.28 35.17  ? 47  HIS   B CG  1 
ATOM   696  N ND1 A HIS   B 2 38  ? -26.770 -0.669  -12.648 0.23 35.55  ? 47  HIS   B ND1 1 
ATOM   697  N ND1 B HIS   B 2 38  ? -26.770 -0.670  -12.649 0.22 35.55  ? 47  HIS   B ND1 1 
ATOM   698  N ND1 C HIS   B 2 38  ? -27.042 -0.389  -12.343 0.27 35.48  ? 47  HIS   B ND1 1 
ATOM   699  N ND1 D HIS   B 2 38  ? -27.042 -0.389  -12.343 0.28 35.48  ? 47  HIS   B ND1 1 
ATOM   700  C CD2 A HIS   B 2 38  ? -25.584 -1.975  -11.401 0.23 35.33  ? 47  HIS   B CD2 1 
ATOM   701  C CD2 B HIS   B 2 38  ? -25.584 -1.976  -11.403 0.22 35.33  ? 47  HIS   B CD2 1 
ATOM   702  C CD2 C HIS   B 2 38  ? -25.931 -1.840  -11.156 0.27 35.31  ? 47  HIS   B CD2 1 
ATOM   703  C CD2 D HIS   B 2 38  ? -25.931 -1.839  -11.156 0.28 35.31  ? 47  HIS   B CD2 1 
ATOM   704  C CE1 A HIS   B 2 38  ? -27.574 -1.633  -12.207 0.23 35.93  ? 47  HIS   B CE1 1 
ATOM   705  C CE1 B HIS   B 2 38  ? -27.574 -1.633  -12.207 0.22 35.93  ? 47  HIS   B CE1 1 
ATOM   706  C CE1 C HIS   B 2 38  ? -27.923 -1.235  -11.821 0.27 35.84  ? 47  HIS   B CE1 1 
ATOM   707  C CE1 D HIS   B 2 38  ? -27.923 -1.235  -11.822 0.28 35.84  ? 47  HIS   B CE1 1 
ATOM   708  N NE2 A HIS   B 2 38  ? -26.877 -2.433  -11.407 0.23 35.80  ? 47  HIS   B NE2 1 
ATOM   709  N NE2 B HIS   B 2 38  ? -26.877 -2.434  -11.410 0.22 35.80  ? 47  HIS   B NE2 1 
ATOM   710  N NE2 C HIS   B 2 38  ? -27.270 -2.116  -11.058 0.27 35.75  ? 47  HIS   B NE2 1 
ATOM   711  N NE2 D HIS   B 2 38  ? -27.271 -2.116  -11.059 0.28 35.75  ? 47  HIS   B NE2 1 
ATOM   712  N N   . THR   B 2 39  ? -22.183 2.367   -11.397 1.00 34.24  ? 48  THR   B N   1 
ATOM   713  C CA  . THR   B 2 39  ? -20.925 3.035   -11.826 1.00 34.30  ? 48  THR   B CA  1 
ATOM   714  C C   . THR   B 2 39  ? -19.758 2.458   -10.993 1.00 34.23  ? 48  THR   B C   1 
ATOM   715  O O   . THR   B 2 39  ? -20.032 1.580   -10.088 1.00 34.10  ? 48  THR   B O   1 
ATOM   716  C CB  . THR   B 2 39  ? -21.083 4.564   -11.896 1.00 34.37  ? 48  THR   B CB  1 
ATOM   717  O OG1 . THR   B 2 39  ? -20.074 5.124   -12.757 1.00 34.64  ? 48  THR   B OG1 1 
ATOM   718  C CG2 . THR   B 2 39  ? -21.047 5.259   -10.548 1.00 34.18  ? 48  THR   B CG2 1 
ATOM   719  N N   . MET   B 2 40  ? -18.511 2.884   -11.428 1.00 34.54  ? 49  MET   B N   1 
ATOM   720  C CA  . MET   B 2 40  ? -17.310 2.541   -10.621 1.00 34.60  ? 49  MET   B CA  1 
ATOM   721  C C   . MET   B 2 40  ? -17.155 3.539   -9.474  1.00 34.42  ? 49  MET   B C   1 
ATOM   722  O O   . MET   B 2 40  ? -17.438 4.762   -9.696  1.00 34.47  ? 49  MET   B O   1 
ATOM   723  C CB  . MET   B 2 40  ? -16.069 2.480   -11.497 1.00 35.16  ? 49  MET   B CB  1 
ATOM   724  C CG  . MET   B 2 40  ? -16.382 1.721   -12.793 1.00 35.48  ? 49  MET   B CG  1 
ATOM   725  S SD  . MET   B 2 40  ? -14.969 0.869   -13.472 1.00 36.13  ? 49  MET   B SD  1 
ATOM   726  C CE  . MET   B 2 40  ? -15.003 -0.585  -12.299 1.00 35.90  ? 49  MET   B CE  1 
ATOM   727  N N   A TRP   B 2 41  ? -16.712 3.027   -8.303  0.23 34.32  ? 50  TRP   B N   1 
ATOM   728  N N   B TRP   B 2 41  ? -16.748 3.024   -8.286  0.22 34.25  ? 50  TRP   B N   1 
ATOM   729  N N   C TRP   B 2 41  ? -16.711 3.027   -8.303  0.25 34.31  ? 50  TRP   B N   1 
ATOM   730  N N   D TRP   B 2 41  ? -16.751 3.023   -8.285  0.25 34.25  ? 50  TRP   B N   1 
ATOM   731  C CA  A TRP   B 2 41  ? -16.585 3.800   -7.039  0.23 34.31  ? 50  TRP   B CA  1 
ATOM   732  C CA  B TRP   B 2 41  ? -16.568 3.810   -7.031  0.22 34.24  ? 50  TRP   B CA  1 
ATOM   733  C CA  C TRP   B 2 41  ? -16.586 3.799   -7.037  0.25 34.31  ? 50  TRP   B CA  1 
ATOM   734  C CA  D TRP   B 2 41  ? -16.570 3.811   -7.032  0.25 34.24  ? 50  TRP   B CA  1 
ATOM   735  C C   A TRP   B 2 41  ? -15.642 5.010   -7.293  0.23 34.70  ? 50  TRP   B C   1 
ATOM   736  C C   B TRP   B 2 41  ? -15.684 5.044   -7.358  0.22 34.62  ? 50  TRP   B C   1 
ATOM   737  C C   C TRP   B 2 41  ? -15.640 5.011   -7.287  0.25 34.70  ? 50  TRP   B C   1 
ATOM   738  C C   D TRP   B 2 41  ? -15.684 5.044   -7.358  0.25 34.62  ? 50  TRP   B C   1 
ATOM   739  O O   A TRP   B 2 41  ? -16.006 6.135   -6.968  0.23 34.79  ? 50  TRP   B O   1 
ATOM   740  O O   B TRP   B 2 41  ? -16.123 6.178   -7.136  0.22 34.69  ? 50  TRP   B O   1 
ATOM   741  O O   C TRP   B 2 41  ? -16.015 6.146   -6.978  0.25 34.78  ? 50  TRP   B O   1 
ATOM   742  O O   D TRP   B 2 41  ? -16.121 6.180   -7.140  0.25 34.69  ? 50  TRP   B O   1 
ATOM   743  C CB  A TRP   B 2 41  ? -16.178 2.889   -5.843  0.23 34.24  ? 50  TRP   B CB  1 
ATOM   744  C CB  B TRP   B 2 41  ? -16.031 2.937   -5.866  0.22 34.19  ? 50  TRP   B CB  1 
ATOM   745  C CB  C TRP   B 2 41  ? -16.185 2.881   -5.842  0.25 34.23  ? 50  TRP   B CB  1 
ATOM   746  C CB  D TRP   B 2 41  ? -16.032 2.937   -5.867  0.25 34.18  ? 50  TRP   B CB  1 
ATOM   747  C CG  A TRP   B 2 41  ? -16.319 3.652   -4.565  0.23 34.24  ? 50  TRP   B CG  1 
ATOM   748  C CG  B TRP   B 2 41  ? -15.846 3.753   -4.624  0.22 34.25  ? 50  TRP   B CG  1 
ATOM   749  C CG  C TRP   B 2 41  ? -16.326 3.648   -4.566  0.25 34.23  ? 50  TRP   B CG  1 
ATOM   750  C CG  D TRP   B 2 41  ? -15.846 3.755   -4.627  0.25 34.25  ? 50  TRP   B CG  1 
ATOM   751  C CD1 A TRP   B 2 41  ? -17.376 3.660   -3.701  0.23 34.12  ? 50  TRP   B CD1 1 
ATOM   752  C CD1 B TRP   B 2 41  ? -14.750 4.497   -4.295  0.22 34.56  ? 50  TRP   B CD1 1 
ATOM   753  C CD1 C TRP   B 2 41  ? -17.380 3.656   -3.700  0.25 34.11  ? 50  TRP   B CD1 1 
ATOM   754  C CD1 D TRP   B 2 41  ? -14.750 4.499   -4.298  0.25 34.55  ? 50  TRP   B CD1 1 
ATOM   755  C CD2 A TRP   B 2 41  ? -15.408 4.659   -4.097  0.23 34.53  ? 50  TRP   B CD2 1 
ATOM   756  C CD2 B TRP   B 2 41  ? -16.818 3.992   -3.587  0.22 34.13  ? 50  TRP   B CD2 1 
ATOM   757  C CD2 C TRP   B 2 41  ? -15.415 4.657   -4.104  0.25 34.52  ? 50  TRP   B CD2 1 
ATOM   758  C CD2 D TRP   B 2 41  ? -16.818 3.993   -3.589  0.25 34.13  ? 50  TRP   B CD2 1 
ATOM   759  N NE1 A TRP   B 2 41  ? -17.158 4.575   -2.702  0.23 34.29  ? 50  TRP   B NE1 1 
ATOM   760  N NE1 B TRP   B 2 41  ? -14.961 5.159   -3.114  0.22 34.65  ? 50  TRP   B NE1 1 
ATOM   761  N NE1 C TRP   B 2 41  ? -17.161 4.574   -2.704  0.25 34.29  ? 50  TRP   B NE1 1 
ATOM   762  N NE1 D TRP   B 2 41  ? -14.961 5.161   -3.116  0.25 34.64  ? 50  TRP   B NE1 1 
ATOM   763  C CE2 A TRP   B 2 41  ? -15.955 5.197   -2.915  0.23 34.53  ? 50  TRP   B CE2 1 
ATOM   764  C CE2 B TRP   B 2 41  ? -16.220 4.873   -2.659  0.22 34.38  ? 50  TRP   B CE2 1 
ATOM   765  C CE2 C TRP   B 2 41  ? -15.958 5.197   -2.921  0.25 34.52  ? 50  TRP   B CE2 1 
ATOM   766  C CE2 D TRP   B 2 41  ? -16.221 4.876   -2.662  0.25 34.37  ? 50  TRP   B CE2 1 
ATOM   767  C CE3 A TRP   B 2 41  ? -14.170 5.127   -4.547  0.23 34.88  ? 50  TRP   B CE3 1 
ATOM   768  C CE3 B TRP   B 2 41  ? -18.129 3.558   -3.352  0.22 33.96  ? 50  TRP   B CE3 1 
ATOM   769  C CE3 C TRP   B 2 41  ? -14.181 5.125   -4.559  0.25 34.87  ? 50  TRP   B CE3 1 
ATOM   770  C CE3 D TRP   B 2 41  ? -18.128 3.560   -3.355  0.25 33.95  ? 50  TRP   B CE3 1 
ATOM   771  C CZ2 A TRP   B 2 41  ? -15.301 6.188   -2.182  0.23 34.91  ? 50  TRP   B CZ2 1 
ATOM   772  C CZ2 B TRP   B 2 41  ? -16.877 5.299   -1.500  0.22 34.44  ? 50  TRP   B CZ2 1 
ATOM   773  C CZ2 C TRP   B 2 41  ? -15.303 6.191   -2.193  0.25 34.91  ? 50  TRP   B CZ2 1 
ATOM   774  C CZ2 D TRP   B 2 41  ? -16.878 5.301   -1.503  0.25 34.43  ? 50  TRP   B CZ2 1 
ATOM   775  C CZ3 A TRP   B 2 41  ? -13.524 6.105   -3.823  0.23 35.26  ? 50  TRP   B CZ3 1 
ATOM   776  C CZ3 B TRP   B 2 41  ? -18.775 3.976   -2.201  0.22 34.03  ? 50  TRP   B CZ3 1 
ATOM   777  C CZ3 C TRP   B 2 41  ? -13.532 6.104   -3.839  0.25 35.26  ? 50  TRP   B CZ3 1 
ATOM   778  C CZ3 D TRP   B 2 41  ? -18.773 3.976   -2.204  0.25 34.02  ? 50  TRP   B CZ3 1 
ATOM   779  C CH2 A TRP   B 2 41  ? -14.084 6.628   -2.658  0.23 35.27  ? 50  TRP   B CH2 1 
ATOM   780  C CH2 B TRP   B 2 41  ? -18.160 4.846   -1.299  0.22 34.26  ? 50  TRP   B CH2 1 
ATOM   781  C CH2 C TRP   B 2 41  ? -14.090 6.630   -2.675  0.25 35.27  ? 50  TRP   B CH2 1 
ATOM   782  C CH2 D TRP   B 2 41  ? -18.160 4.846   -1.302  0.25 34.24  ? 50  TRP   B CH2 1 
ATOM   783  N N   . HIS   B 2 42  ? -14.563 4.827   -8.193  1.00 35.05  ? 51  HIS   B N   1 
ATOM   784  C CA  . HIS   B 2 42  ? -13.589 5.973   -8.353  1.00 35.79  ? 51  HIS   B CA  1 
ATOM   785  C C   . HIS   B 2 42  ? -14.175 7.186   -9.153  1.00 36.34  ? 51  HIS   B C   1 
ATOM   786  O O   . HIS   B 2 42  ? -13.562 8.278   -9.129  1.00 36.88  ? 51  HIS   B O   1 
ATOM   787  C CB  . HIS   B 2 42  ? -12.242 5.510   -8.893  1.00 36.27  ? 51  HIS   B CB  1 
ATOM   788  C CG  . HIS   B 2 42  ? -12.257 5.184   -10.335 1.00 36.39  ? 51  HIS   B CG  1 
ATOM   789  N ND1 . HIS   B 2 42  ? -12.335 3.877   -10.756 1.00 36.22  ? 51  HIS   B ND1 1 
ATOM   790  C CD2 . HIS   B 2 42  ? -12.185 5.962   -11.458 1.00 36.86  ? 51  HIS   B CD2 1 
ATOM   791  C CE1 . HIS   B 2 42  ? -12.302 3.863   -12.102 1.00 36.51  ? 51  HIS   B CE1 1 
ATOM   792  N NE2 . HIS   B 2 42  ? -12.218 5.125   -12.534 1.00 36.86  ? 51  HIS   B NE2 1 
ATOM   793  N N   . VAL   B 2 43  ? -15.328 7.019   -9.807  1.00 36.49  ? 52  VAL   B N   1 
ATOM   794  C CA  . VAL   B 2 43  ? -16.021 8.094   -10.595 1.00 37.10  ? 52  VAL   B CA  1 
ATOM   795  C C   . VAL   B 2 43  ? -16.722 9.095   -9.661  1.00 37.53  ? 52  VAL   B C   1 
ATOM   796  O O   . VAL   B 2 43  ? -16.571 10.308  -9.890  1.00 38.00  ? 52  VAL   B O   1 
ATOM   797  C CB  . VAL   B 2 43  ? -16.993 7.436   -11.589 1.00 36.93  ? 52  VAL   B CB  1 
ATOM   798  C CG1 . VAL   B 2 43  ? -17.900 8.447   -12.297 1.00 37.19  ? 52  VAL   B CG1 1 
ATOM   799  C CG2 . VAL   B 2 43  ? -16.208 6.613   -12.619 1.00 37.15  ? 52  VAL   B CG2 1 
ATOM   800  N N   . THR   B 2 44  ? -17.473 8.609   -8.656  1.00 37.63  ? 53  THR   B N   1 
ATOM   801  C CA  . THR   B 2 44  ? -18.388 9.448   -7.825  1.00 38.28  ? 53  THR   B CA  1 
ATOM   802  C C   . THR   B 2 44  ? -17.831 9.572   -6.401  1.00 39.07  ? 53  THR   B C   1 
ATOM   803  O O   . THR   B 2 44  ? -18.194 10.559  -5.738  1.00 39.39  ? 53  THR   B O   1 
ATOM   804  C CB  . THR   B 2 44  ? -19.841 8.927   -7.841  1.00 37.88  ? 53  THR   B CB  1 
ATOM   805  O OG1 . THR   B 2 44  ? -19.829 7.652   -7.076  1.00 37.44  ? 53  THR   B OG1 1 
ATOM   806  C CG2 . THR   B 2 44  ? -20.402 8.937   -9.282  1.00 37.99  ? 53  THR   B CG2 1 
ATOM   807  N N   . LYS   B 2 45  ? -16.919 8.674   -6.019  1.00 40.17  ? 54  LYS   B N   1 
ATOM   808  C CA  . LYS   B 2 45  ? -16.399 8.467   -4.632  1.00 41.66  ? 54  LYS   B CA  1 
ATOM   809  C C   . LYS   B 2 45  ? -17.566 8.370   -3.637  1.00 42.03  ? 54  LYS   B C   1 
ATOM   810  O O   . LYS   B 2 45  ? -17.376 8.789   -2.488  1.00 43.02  ? 54  LYS   B O   1 
ATOM   811  C CB  . LYS   B 2 45  ? -15.463 9.609   -4.219  1.00 43.03  ? 54  LYS   B CB  1 
ATOM   812  C CG  . LYS   B 2 45  ? -14.515 10.122  -5.296  1.00 44.20  ? 54  LYS   B CG  1 
ATOM   813  C CD  . LYS   B 2 45  ? -13.109 9.551   -5.216  1.00 45.11  ? 54  LYS   B CD  1 
ATOM   814  C CE  . LYS   B 2 45  ? -12.113 10.307  -6.072  1.00 46.14  ? 54  LYS   B CE  1 
ATOM   815  N NZ  . LYS   B 2 45  ? -11.892 9.625   -7.379  1.00 46.56  ? 54  LYS   B NZ  1 
ATOM   816  N N   . GLY   B 2 46  ? -18.735 7.874   -4.048  1.00 42.25  ? 55  GLY   B N   1 
ATOM   817  C CA  . GLY   B 2 46  ? -19.882 7.632   -3.153  1.00 42.53  ? 55  GLY   B CA  1 
ATOM   818  C C   . GLY   B 2 46  ? -20.794 8.845   -2.987  1.00 43.24  ? 55  GLY   B C   1 
ATOM   819  O O   . GLY   B 2 46  ? -21.789 8.702   -2.292  1.00 43.43  ? 55  GLY   B O   1 
ATOM   820  N N   . ALA   B 2 47  ? -20.505 9.979   -3.642  1.00 44.01  ? 56  ALA   B N   1 
ATOM   821  C CA  . ALA   B 2 47  ? -21.354 11.200  -3.695  1.00 44.26  ? 56  ALA   B CA  1 
ATOM   822  C C   . ALA   B 2 47  ? -22.726 10.882  -4.315  1.00 44.06  ? 56  ALA   B C   1 
ATOM   823  O O   . ALA   B 2 47  ? -22.810 9.978   -5.176  1.00 43.67  ? 56  ALA   B O   1 
ATOM   824  C CB  . ALA   B 2 47  ? -20.659 12.278  -4.485  1.00 44.77  ? 56  ALA   B CB  1 
ATOM   825  N N   . ALA   B 2 48  ? -23.763 11.622  -3.894  1.00 44.15  ? 57  ALA   B N   1 
ATOM   826  C CA  . ALA   B 2 48  ? -25.109 11.609  -4.505  1.00 44.20  ? 57  ALA   B CA  1 
ATOM   827  C C   . ALA   B 2 48  ? -25.014 12.233  -5.906  1.00 44.50  ? 57  ALA   B C   1 
ATOM   828  O O   . ALA   B 2 48  ? -24.029 12.978  -6.183  1.00 44.07  ? 57  ALA   B O   1 
ATOM   829  C CB  . ALA   B 2 48  ? -26.106 12.360  -3.653  1.00 44.65  ? 57  ALA   B CB  1 
ATOM   830  N N   . LEU   B 2 49  ? -26.022 11.942  -6.725  1.00 44.98  ? 58  LEU   B N   1 
ATOM   831  C CA  . LEU   B 2 49  ? -26.077 12.356  -8.154  1.00 46.36  ? 58  LEU   B CA  1 
ATOM   832  C C   . LEU   B 2 49  ? -27.402 13.050  -8.443  1.00 48.13  ? 58  LEU   B C   1 
ATOM   833  O O   . LEU   B 2 49  ? -28.432 12.700  -7.838  1.00 48.06  ? 58  LEU   B O   1 
ATOM   834  C CB  . LEU   B 2 49  ? -25.946 11.135  -9.069  1.00 45.43  ? 58  LEU   B CB  1 
ATOM   835  C CG  . LEU   B 2 49  ? -24.676 10.304  -8.911  1.00 44.96  ? 58  LEU   B CG  1 
ATOM   836  C CD1 . LEU   B 2 49  ? -24.795 8.997   -9.673  1.00 44.52  ? 58  LEU   B CD1 1 
ATOM   837  C CD2 . LEU   B 2 49  ? -23.438 11.072  -9.332  1.00 45.19  ? 58  LEU   B CD2 1 
ATOM   838  N N   . ARG   B 2 50  ? -27.375 13.943  -9.426  1.00 50.54  ? 59  ARG   B N   1 
ATOM   839  C CA  . ARG   B 2 50  ? -28.575 14.663  -9.878  1.00 52.80  ? 59  ARG   B CA  1 
ATOM   840  C C   . ARG   B 2 50  ? -29.035 14.045  -11.195 1.00 54.05  ? 59  ARG   B C   1 
ATOM   841  O O   . ARG   B 2 50  ? -28.179 13.785  -12.062 1.00 53.76  ? 59  ARG   B O   1 
ATOM   842  C CB  . ARG   B 2 50  ? -28.223 16.145  -9.947  1.00 54.85  ? 59  ARG   B CB  1 
ATOM   843  C CG  . ARG   B 2 50  ? -29.358 17.015  -10.454 1.00 57.17  ? 59  ARG   B CG  1 
ATOM   844  C CD  . ARG   B 2 50  ? -29.146 18.466  -10.080 1.00 59.13  ? 59  ARG   B CD  1 
ATOM   845  N NE  . ARG   B 2 50  ? -27.826 18.976  -10.448 1.00 59.91  ? 59  ARG   B NE  1 
ATOM   846  C CZ  . ARG   B 2 50  ? -27.475 19.392  -11.662 1.00 61.78  ? 59  ARG   B CZ  1 
ATOM   847  N NH1 . ARG   B 2 50  ? -28.324 19.310  -12.677 1.00 62.20  ? 59  ARG   B NH1 1 
ATOM   848  N NH2 . ARG   B 2 50  ? -26.254 19.863  -11.864 1.00 63.00  ? 59  ARG   B NH2 1 
ATOM   849  N N   . SER   B 2 51  ? -30.326 13.749  -11.299 1.00 55.43  ? 60  SER   B N   1 
ATOM   850  C CA  . SER   B 2 51  ? -31.024 13.466  -12.578 1.00 57.84  ? 60  SER   B CA  1 
ATOM   851  C C   . SER   B 2 51  ? -32.204 14.439  -12.722 1.00 60.03  ? 60  SER   B C   1 
ATOM   852  O O   . SER   B 2 51  ? -33.229 14.224  -12.048 1.00 61.38  ? 60  SER   B O   1 
ATOM   853  C CB  . SER   B 2 51  ? -31.470 12.038  -12.647 1.00 57.37  ? 60  SER   B CB  1 
ATOM   854  O OG  . SER   B 2 51  ? -31.935 11.743  -13.949 1.00 57.98  ? 60  SER   B OG  1 
ATOM   855  N N   . GLY   B 2 52  ? -32.055 15.475  -13.553 1.00 62.16  ? 61  GLY   B N   1 
ATOM   856  C CA  . GLY   B 2 52  ? -32.971 16.632  -13.586 1.00 64.65  ? 61  GLY   B CA  1 
ATOM   857  C C   . GLY   B 2 52  ? -33.016 17.308  -12.226 1.00 66.65  ? 61  GLY   B C   1 
ATOM   858  O O   . GLY   B 2 52  ? -31.944 17.724  -11.728 1.00 68.00  ? 61  GLY   B O   1 
ATOM   859  N N   . GLU   B 2 53  ? -34.195 17.379  -11.612 1.00 68.47  ? 62  GLU   B N   1 
ATOM   860  C CA  . GLU   B 2 53  ? -34.341 17.856  -10.212 1.00 69.52  ? 62  GLU   B CA  1 
ATOM   861  C C   . GLU   B 2 53  ? -34.547 16.660  -9.271  1.00 67.21  ? 62  GLU   B C   1 
ATOM   862  O O   . GLU   B 2 53  ? -34.760 16.908  -8.079  1.00 66.63  ? 62  GLU   B O   1 
ATOM   863  C CB  . GLU   B 2 53  ? -35.447 18.907  -10.128 1.00 73.00  ? 62  GLU   B CB  1 
ATOM   864  C CG  . GLU   B 2 53  ? -34.945 20.297  -10.473 1.00 76.57  ? 62  GLU   B CG  1 
ATOM   865  C CD  . GLU   B 2 53  ? -35.917 21.419  -10.153 1.00 80.55  ? 62  GLU   B CD  1 
ATOM   866  O OE1 . GLU   B 2 53  ? -37.070 21.347  -10.633 1.00 84.78  ? 62  GLU   B OE1 1 
ATOM   867  O OE2 . GLU   B 2 53  ? -35.525 22.359  -9.413  1.00 82.67  ? 62  GLU   B OE2 1 
ATOM   868  N N   . GLY   B 2 54  ? -34.424 15.423  -9.774  1.00 64.44  ? 63  GLY   B N   1 
ATOM   869  C CA  . GLY   B 2 54  ? -34.416 14.199  -8.947  1.00 62.53  ? 63  GLY   B CA  1 
ATOM   870  C C   . GLY   B 2 54  ? -33.018 13.900  -8.420  1.00 60.15  ? 63  GLY   B C   1 
ATOM   871  O O   . GLY   B 2 54  ? -32.029 14.228  -9.133  1.00 59.84  ? 63  GLY   B O   1 
ATOM   872  N N   . ARG   B 2 55  ? -32.933 13.289  -7.233  1.00 56.78  ? 64  ARG   B N   1 
ATOM   873  C CA  . ARG   B 2 55  ? -31.658 12.931  -6.550  1.00 54.44  ? 64  ARG   B CA  1 
ATOM   874  C C   . ARG   B 2 55  ? -31.481 11.402  -6.551  1.00 51.36  ? 64  ARG   B C   1 
ATOM   875  O O   . ARG   B 2 55  ? -32.473 10.666  -6.352  1.00 51.77  ? 64  ARG   B O   1 
ATOM   876  C CB  . ARG   B 2 55  ? -31.663 13.511  -5.129  1.00 55.88  ? 64  ARG   B CB  1 
ATOM   877  C CG  . ARG   B 2 55  ? -30.307 13.512  -4.436  1.00 56.80  ? 64  ARG   B CG  1 
ATOM   878  C CD  . ARG   B 2 55  ? -30.416 14.084  -3.027  1.00 58.50  ? 64  ARG   B CD  1 
ATOM   879  N NE  . ARG   B 2 55  ? -29.386 13.588  -2.114  1.00 59.29  ? 64  ARG   B NE  1 
ATOM   880  C CZ  . ARG   B 2 55  ? -28.532 14.335  -1.401  1.00 60.97  ? 64  ARG   B CZ  1 
ATOM   881  N NH1 . ARG   B 2 55  ? -28.567 15.658  -1.454  1.00 61.42  ? 64  ARG   B NH1 1 
ATOM   882  N NH2 . ARG   B 2 55  ? -27.655 13.746  -0.598  1.00 61.63  ? 64  ARG   B NH2 1 
ATOM   883  N N   . LEU   B 2 56  ? -30.262 10.938  -6.827  1.00 48.05  ? 65  LEU   B N   1 
ATOM   884  C CA  . LEU   B 2 56  ? -29.903 9.501   -6.755  1.00 46.44  ? 65  LEU   B CA  1 
ATOM   885  C C   . LEU   B 2 56  ? -28.988 9.359   -5.541  1.00 44.58  ? 65  LEU   B C   1 
ATOM   886  O O   . LEU   B 2 56  ? -27.927 10.072  -5.470  1.00 44.62  ? 65  LEU   B O   1 
ATOM   887  C CB  . LEU   B 2 56  ? -29.197 9.015   -8.038  1.00 46.05  ? 65  LEU   B CB  1 
ATOM   888  C CG  . LEU   B 2 56  ? -29.908 9.202   -9.381  1.00 46.66  ? 65  LEU   B CG  1 
ATOM   889  C CD1 . LEU   B 2 56  ? -29.121 8.480   -10.473 1.00 46.44  ? 65  LEU   B CD1 1 
ATOM   890  C CD2 . LEU   B 2 56  ? -31.338 8.679   -9.363  1.00 47.16  ? 65  LEU   B CD2 1 
ATOM   891  N N   . ASP   B 2 57  ? -29.476 8.571   -4.526  1.00 43.20  ? 66  ASP   B N   1 
ATOM   892  C CA  . ASP   B 2 57  ? -28.647 8.318   -3.328  1.00 42.08  ? 66  ASP   B CA  1 
ATOM   893  C C   . ASP   B 2 57  ? -27.879 7.022   -3.549  1.00 40.42  ? 66  ASP   B C   1 
ATOM   894  O O   . ASP   B 2 57  ? -28.420 6.021   -4.053  1.00 40.34  ? 66  ASP   B O   1 
ATOM   895  C CB  . ASP   B 2 57  ? -29.493 8.345   -2.051  1.00 42.77  ? 66  ASP   B CB  1 
ATOM   896  C CG  . ASP   B 2 57  ? -30.107 9.730   -1.952  1.00 43.53  ? 66  ASP   B CG  1 
ATOM   897  O OD1 . ASP   B 2 57  ? -29.351 10.721  -2.141  1.00 43.97  ? 66  ASP   B OD1 1 
ATOM   898  O OD2 . ASP   B 2 57  ? -31.339 9.800   -1.752  1.00 44.13  ? 66  ASP   B OD2 1 
ATOM   899  N N   . PRO   B 2 58  ? -26.615 6.972   -3.069  1.00 39.04  ? 67  PRO   B N   1 
ATOM   900  C CA  . PRO   B 2 58  ? -25.891 5.707   -2.999  1.00 38.33  ? 67  PRO   B CA  1 
ATOM   901  C C   . PRO   B 2 58  ? -26.684 4.698   -2.149  1.00 38.04  ? 67  PRO   B C   1 
ATOM   902  O O   . PRO   B 2 58  ? -27.408 5.105   -1.208  1.00 38.13  ? 67  PRO   B O   1 
ATOM   903  C CB  . PRO   B 2 58  ? -24.545 6.116   -2.385  1.00 38.33  ? 67  PRO   B CB  1 
ATOM   904  C CG  . PRO   B 2 58  ? -24.872 7.343   -1.574  1.00 38.73  ? 67  PRO   B CG  1 
ATOM   905  C CD  . PRO   B 2 58  ? -25.876 8.079   -2.427  1.00 39.02  ? 67  PRO   B CD  1 
ATOM   906  N N   . TYR   B 2 59  ? -26.631 3.435   -2.544  1.00 37.35  ? 68  TYR   B N   1 
ATOM   907  C CA  . TYR   B 2 59  ? -27.343 2.307   -1.908  1.00 37.36  ? 68  TYR   B CA  1 
ATOM   908  C C   . TYR   B 2 59  ? -26.345 1.231   -1.472  1.00 36.92  ? 68  TYR   B C   1 
ATOM   909  O O   . TYR   B 2 59  ? -26.522 0.615   -0.415  1.00 37.20  ? 68  TYR   B O   1 
ATOM   910  C CB  . TYR   B 2 59  ? -28.350 1.690   -2.883  1.00 37.67  ? 68  TYR   B CB  1 
ATOM   911  C CG  . TYR   B 2 59  ? -29.206 0.607   -2.278  1.00 38.29  ? 68  TYR   B CG  1 
ATOM   912  C CD1 . TYR   B 2 59  ? -28.726 -0.708  -2.242  1.00 38.42  ? 68  TYR   B CD1 1 
ATOM   913  C CD2 . TYR   B 2 59  ? -30.437 0.919   -1.813  1.00 38.84  ? 68  TYR   B CD2 1 
ATOM   914  C CE1 . TYR   B 2 59  ? -29.515 -1.706  -1.675  1.00 39.15  ? 68  TYR   B CE1 1 
ATOM   915  C CE2 . TYR   B 2 59  ? -31.233 -0.079  -1.312  1.00 39.53  ? 68  TYR   B CE2 1 
ATOM   916  C CZ  . TYR   B 2 59  ? -30.753 -1.387  -1.230  1.00 39.69  ? 68  TYR   B CZ  1 
ATOM   917  O OH  . TYR   B 2 59  ? -31.462 -2.463  -0.795  1.00 40.54  ? 68  TYR   B OH  1 
ATOM   918  N N   . TRP   B 2 60  ? -25.399 0.919   -2.342  1.00 36.07  ? 69  TRP   B N   1 
ATOM   919  C CA  . TRP   B 2 60  ? -24.359 -0.121  -2.152  1.00 35.66  ? 69  TRP   B CA  1 
ATOM   920  C C   . TRP   B 2 60  ? -23.071 0.348   -2.812  1.00 35.52  ? 69  TRP   B C   1 
ATOM   921  O O   . TRP   B 2 60  ? -23.147 0.875   -4.017  1.00 35.10  ? 69  TRP   B O   1 
ATOM   922  C CB  . TRP   B 2 60  ? -24.786 -1.497  -2.662  1.00 35.80  ? 69  TRP   B CB  1 
ATOM   923  C CG  . TRP   B 2 60  ? -23.645 -2.469  -2.590  1.00 35.68  ? 69  TRP   B CG  1 
ATOM   924  C CD1 . TRP   B 2 60  ? -23.210 -3.160  -1.483  1.00 35.90  ? 69  TRP   B CD1 1 
ATOM   925  C CD2 . TRP   B 2 60  ? -22.716 -2.773  -3.648  1.00 35.35  ? 69  TRP   B CD2 1 
ATOM   926  N NE1 . TRP   B 2 60  ? -22.107 -3.912  -1.803  1.00 35.83  ? 69  TRP   B NE1 1 
ATOM   927  C CE2 . TRP   B 2 60  ? -21.782 -3.696  -3.133  1.00 35.49  ? 69  TRP   B CE2 1 
ATOM   928  C CE3 . TRP   B 2 60  ? -22.621 -2.380  -4.998  1.00 35.09  ? 69  TRP   B CE3 1 
ATOM   929  C CZ2 . TRP   B 2 60  ? -20.744 -4.213  -3.910  1.00 35.39  ? 69  TRP   B CZ2 1 
ATOM   930  C CZ3 . TRP   B 2 60  ? -21.593 -2.892  -5.758  1.00 35.01  ? 69  TRP   B CZ3 1 
ATOM   931  C CH2 . TRP   B 2 60  ? -20.681 -3.810  -5.239  1.00 35.16  ? 69  TRP   B CH2 1 
ATOM   932  N N   . GLY   B 2 61  ? -21.945 0.116   -2.130  1.00 35.58  ? 70  GLY   B N   1 
ATOM   933  C CA  . GLY   B 2 61  ? -20.604 0.375   -2.684  1.00 35.58  ? 70  GLY   B CA  1 
ATOM   934  C C   . GLY   B 2 61  ? -19.513 -0.431  -2.023  1.00 35.92  ? 70  GLY   B C   1 
ATOM   935  O O   . GLY   B 2 61  ? -19.651 -0.806  -0.759  1.00 36.20  ? 70  GLY   B O   1 
ATOM   936  N N   . ASP   B 2 62  ? -18.408 -0.557  -2.734  1.00 36.01  ? 71  ASP   B N   1 
ATOM   937  C CA  . ASP   B 2 62  ? -17.234 -1.353  -2.292  1.00 36.43  ? 71  ASP   B CA  1 
ATOM   938  C C   . ASP   B 2 62  ? -15.997 -0.823  -3.013  1.00 36.39  ? 71  ASP   B C   1 
ATOM   939  O O   . ASP   B 2 62  ? -15.875 -1.111  -4.218  1.00 36.36  ? 71  ASP   B O   1 
ATOM   940  C CB  . ASP   B 2 62  ? -17.489 -2.847  -2.494  1.00 36.81  ? 71  ASP   B CB  1 
ATOM   941  C CG  . ASP   B 2 62  ? -16.467 -3.733  -1.794  1.00 37.35  ? 71  ASP   B CG  1 
ATOM   942  O OD1 . ASP   B 2 62  ? -15.300 -3.725  -2.137  1.00 37.51  ? 71  ASP   B OD1 1 
ATOM   943  O OD2 . ASP   B 2 62  ? -16.861 -4.343  -0.766  1.00 38.06  ? 71  ASP   B OD2 1 
ATOM   944  N N   . VAL   B 2 63  ? -15.120 -0.113  -2.280  1.00 36.51  ? 72  VAL   B N   1 
ATOM   945  C CA  . VAL   B 2 63  ? -13.859 0.494   -2.806  1.00 36.65  ? 72  VAL   B CA  1 
ATOM   946  C C   . VAL   B 2 63  ? -12.964 -0.607  -3.385  1.00 36.89  ? 72  VAL   B C   1 
ATOM   947  O O   . VAL   B 2 63  ? -12.251 -0.327  -4.389  1.00 36.95  ? 72  VAL   B O   1 
ATOM   948  C CB  . VAL   B 2 63  ? -13.113 1.355   -1.759  1.00 36.93  ? 72  VAL   B CB  1 
ATOM   949  C CG1 . VAL   B 2 63  ? -11.616 1.455   -2.069  1.00 37.34  ? 72  VAL   B CG1 1 
ATOM   950  C CG2 . VAL   B 2 63  ? -13.721 2.759   -1.617  1.00 36.81  ? 72  VAL   B CG2 1 
ATOM   951  N N   . LYS   B 2 64  ? -12.991 -1.830  -2.858  1.00 37.06  ? 73  LYS   B N   1 
ATOM   952  C CA  . LYS   B 2 64  ? -12.028 -2.859  -3.344  1.00 37.39  ? 73  LYS   B CA  1 
ATOM   953  C C   . LYS   B 2 64  ? -12.503 -3.369  -4.712  1.00 37.13  ? 73  LYS   B C   1 
ATOM   954  O O   . LYS   B 2 64  ? -11.642 -3.597  -5.615  1.00 37.26  ? 73  LYS   B O   1 
ATOM   955  C CB  . LYS   B 2 64  ? -11.871 -4.046  -2.401  1.00 37.83  ? 73  LYS   B CB  1 
ATOM   956  C CG  . LYS   B 2 64  ? -10.810 -5.017  -2.897  1.00 38.31  ? 73  LYS   B CG  1 
ATOM   957  C CD  . LYS   B 2 64  ? -10.507 -6.143  -1.927  1.00 38.79  ? 73  LYS   B CD  1 
ATOM   958  C CE  . LYS   B 2 64  ? -9.486  -7.128  -2.468  1.00 39.31  ? 73  LYS   B CE  1 
ATOM   959  N NZ  . LYS   B 2 64  ? -9.080  -8.075  -1.357  1.00 39.90  ? 73  LYS   B NZ  1 
ATOM   960  N N   . GLN   B 2 65  ? -13.810 -3.598  -4.837  1.00 36.84  ? 74  GLN   B N   1 
ATOM   961  C CA  . GLN   B 2 65  ? -14.416 -4.034  -6.127  1.00 36.71  ? 74  GLN   B CA  1 
ATOM   962  C C   . GLN   B 2 65  ? -14.448 -2.834  -7.076  1.00 36.29  ? 74  GLN   B C   1 
ATOM   963  O O   . GLN   B 2 65  ? -14.581 -3.110  -8.341  1.00 36.31  ? 74  GLN   B O   1 
ATOM   964  C CB  . GLN   B 2 65  ? -15.852 -4.525  -5.990  1.00 36.84  ? 74  GLN   B CB  1 
ATOM   965  C CG  . GLN   B 2 65  ? -15.989 -5.826  -5.223  1.00 37.41  ? 74  GLN   B CG  1 
ATOM   966  C CD  . GLN   B 2 65  ? -17.456 -6.234  -5.125  1.00 37.69  ? 74  GLN   B CD  1 
ATOM   967  O OE1 . GLN   B 2 65  ? -18.187 -6.329  -6.119  1.00 38.03  ? 74  GLN   B OE1 1 
ATOM   968  N NE2 . GLN   B 2 65  ? -17.932 -6.413  -3.900  1.00 38.00  ? 74  GLN   B NE2 1 
ATOM   969  N N   . ASP   B 2 66  ? -14.302 -1.618  -6.518  1.00 35.86  ? 75  ASP   B N   1 
ATOM   970  C CA  . ASP   B 2 66  ? -14.393 -0.290  -7.184  1.00 35.62  ? 75  ASP   B CA  1 
ATOM   971  C C   . ASP   B 2 66  ? -15.728 -0.150  -7.911  1.00 35.21  ? 75  ASP   B C   1 
ATOM   972  O O   . ASP   B 2 66  ? -15.671 0.346   -9.101  1.00 35.12  ? 75  ASP   B O   1 
ATOM   973  C CB  . ASP   B 2 66  ? -13.324 -0.098  -8.275  1.00 35.91  ? 75  ASP   B CB  1 
ATOM   974  C CG  . ASP   B 2 66  ? -13.162 1.343   -8.764  1.00 36.04  ? 75  ASP   B CG  1 
ATOM   975  O OD1 . ASP   B 2 66  ? -13.534 2.285   -8.025  1.00 35.90  ? 75  ASP   B OD1 1 
ATOM   976  O OD2 . ASP   B 2 66  ? -12.560 1.526   -9.869  1.00 36.32  ? 75  ASP   B OD2 1 
ATOM   977  N N   . LEU   B 2 67  ? -16.838 -0.566  -7.297  1.00 34.71  ? 76  LEU   B N   1 
ATOM   978  C CA  . LEU   B 2 67  ? -18.231 -0.450  -7.791  1.00 34.55  ? 76  LEU   B CA  1 
ATOM   979  C C   . LEU   B 2 67  ? -19.114 0.323   -6.813  1.00 34.53  ? 76  LEU   B C   1 
ATOM   980  O O   . LEU   B 2 67  ? -18.771 0.312   -5.565  1.00 34.49  ? 76  LEU   B O   1 
ATOM   981  C CB  . LEU   B 2 67  ? -18.789 -1.857  -7.996  1.00 34.68  ? 76  LEU   B CB  1 
ATOM   982  C CG  . LEU   B 2 67  ? -18.153 -2.692  -9.133  1.00 34.89  ? 76  LEU   B CG  1 
ATOM   983  C CD1 . LEU   B 2 67  ? -18.801 -4.072  -9.217  1.00 35.15  ? 76  LEU   B CD1 1 
ATOM   984  C CD2 . LEU   B 2 67  ? -18.302 -1.966  -10.479 1.00 34.93  ? 76  LEU   B CD2 1 
ATOM   985  N N   . VAL   B 2 68  ? -20.210 0.918   -7.315  1.00 34.47  ? 77  VAL   B N   1 
ATOM   986  C CA  . VAL   B 2 68  ? -21.265 1.567   -6.467  1.00 34.37  ? 77  VAL   B CA  1 
ATOM   987  C C   . VAL   B 2 68  ? -22.611 1.470   -7.209  1.00 34.74  ? 77  VAL   B C   1 
ATOM   988  O O   . VAL   B 2 68  ? -22.617 1.541   -8.464  1.00 34.66  ? 77  VAL   B O   1 
ATOM   989  C CB  . VAL   B 2 68  ? -20.887 3.029   -6.137  1.00 34.25  ? 77  VAL   B CB  1 
ATOM   990  C CG1 . VAL   B 2 68  ? -20.763 3.897   -7.435  1.00 34.28  ? 77  VAL   B CG1 1 
ATOM   991  C CG2 . VAL   B 2 68  ? -21.878 3.674   -5.191  1.00 34.27  ? 77  VAL   B CG2 1 
ATOM   992  N N   . SER   B 2 69  ? -23.726 1.288   -6.496  1.00 34.90  ? 78  SER   B N   1 
ATOM   993  C CA  . SER   B 2 69  ? -25.093 1.279   -7.078  1.00 35.48  ? 78  SER   B CA  1 
ATOM   994  C C   . SER   B 2 69  ? -25.924 2.376   -6.414  1.00 35.85  ? 78  SER   B C   1 
ATOM   995  O O   . SER   B 2 69  ? -25.705 2.695   -5.161  1.00 35.79  ? 78  SER   B O   1 
ATOM   996  C CB  . SER   B 2 69  ? -25.717 -0.112  -6.999  1.00 35.86  ? 78  SER   B CB  1 
ATOM   997  O OG  . SER   B 2 69  ? -26.176 -0.447  -5.673  1.00 36.13  ? 78  SER   B OG  1 
ATOM   998  N N   . TYR   B 2 70  ? -26.839 2.971   -7.179  1.00 36.31  ? 79  TYR   B N   1 
ATOM   999  C CA  . TYR   B 2 70  ? -27.739 4.062   -6.720  1.00 36.69  ? 79  TYR   B CA  1 
ATOM   1000 C C   . TYR   B 2 70  ? -29.189 3.590   -6.858  1.00 37.50  ? 79  TYR   B C   1 
ATOM   1001 O O   . TYR   B 2 70  ? -29.535 2.936   -7.827  1.00 37.59  ? 79  TYR   B O   1 
ATOM   1002 C CB  . TYR   B 2 70  ? -27.472 5.370   -7.482  1.00 36.63  ? 79  TYR   B CB  1 
ATOM   1003 C CG  . TYR   B 2 70  ? -26.128 6.008   -7.193  1.00 36.30  ? 79  TYR   B CG  1 
ATOM   1004 C CD1 . TYR   B 2 70  ? -24.896 5.481   -7.757  1.00 36.19  ? 79  TYR   B CD1 1 
ATOM   1005 C CD2 . TYR   B 2 70  ? -26.094 7.180   -6.423  1.00 36.48  ? 79  TYR   B CD2 1 
ATOM   1006 C CE1 . TYR   B 2 70  ? -23.672 6.085   -7.504  1.00 36.11  ? 79  TYR   B CE1 1 
ATOM   1007 C CE2 . TYR   B 2 70  ? -24.873 7.756   -6.080  1.00 36.37  ? 79  TYR   B CE2 1 
ATOM   1008 C CZ  . TYR   B 2 70  ? -23.650 7.191   -6.622  1.00 36.19  ? 79  TYR   B CZ  1 
ATOM   1009 O OH  . TYR   B 2 70  ? -22.465 7.808   -6.357  1.00 36.27  ? 79  TYR   B OH  1 
ATOM   1010 N N   . CYS   B 2 71  ? -29.989 3.873   -5.806  1.00 38.16  ? 80  CYS   B N   1 
ATOM   1011 C CA  . CYS   B 2 71  ? -31.467 3.692   -5.718  1.00 39.07  ? 80  CYS   B CA  1 
ATOM   1012 C C   . CYS   B 2 71  ? -31.806 2.239   -5.255  1.00 39.40  ? 80  CYS   B C   1 
ATOM   1013 O O   . CYS   B 2 71  ? -32.994 1.993   -4.988  1.00 40.15  ? 80  CYS   B O   1 
ATOM   1014 C CB  . CYS   B 2 71  ? -32.202 4.180   -6.995  1.00 39.67  ? 80  CYS   B CB  1 
ATOM   1015 S SG  . CYS   B 2 71  ? -31.648 5.887   -7.482  1.00 40.09  ? 80  CYS   B SG  1 
ATOM   1016 N N   . GLY   B 2 72  ? -30.856 1.305   -5.199  1.00 39.08  ? 81  GLY   B N   1 
ATOM   1017 C CA  . GLY   B 2 72  ? -31.205 -0.116  -5.047  1.00 39.48  ? 81  GLY   B CA  1 
ATOM   1018 C C   . GLY   B 2 72  ? -29.939 -0.963  -5.048  1.00 38.98  ? 81  GLY   B C   1 
ATOM   1019 O O   . GLY   B 2 72  ? -28.796 -0.370  -5.122  1.00 38.35  ? 81  GLY   B O   1 
ATOM   1020 N N   . PRO   B 2 73  ? -30.135 -2.306  -4.856  1.00 39.45  ? 82  PRO   B N   1 
ATOM   1021 C CA  . PRO   B 2 73  ? -29.025 -3.263  -4.940  1.00 39.32  ? 82  PRO   B CA  1 
ATOM   1022 C C   . PRO   B 2 73  ? -28.457 -3.358  -6.385  1.00 38.97  ? 82  PRO   B C   1 
ATOM   1023 O O   . PRO   B 2 73  ? -29.226 -3.026  -7.247  1.00 39.13  ? 82  PRO   B O   1 
ATOM   1024 C CB  . PRO   B 2 73  ? -29.675 -4.573  -4.439  1.00 40.18  ? 82  PRO   B CB  1 
ATOM   1025 C CG  . PRO   B 2 73  ? -31.149 -4.424  -4.733  1.00 40.81  ? 82  PRO   B CG  1 
ATOM   1026 C CD  . PRO   B 2 73  ? -31.425 -2.943  -4.617  1.00 40.36  ? 82  PRO   B CD  1 
ATOM   1027 N N   . TRP   B 2 74  ? -27.171 -3.733  -6.585  1.00 38.56  ? 83  TRP   B N   1 
ATOM   1028 C CA  . TRP   B 2 74  ? -26.548 -4.126  -7.907  1.00 38.50  ? 83  TRP   B CA  1 
ATOM   1029 C C   . TRP   B 2 74  ? -27.473 -5.124  -8.620  1.00 39.50  ? 83  TRP   B C   1 
ATOM   1030 O O   . TRP   B 2 74  ? -27.863 -6.103  -7.976  1.00 39.83  ? 83  TRP   B O   1 
ATOM   1031 C CB  . TRP   B 2 74  ? -25.127 -4.696  -7.702  1.00 38.02  ? 83  TRP   B CB  1 
ATOM   1032 C CG  . TRP   B 2 74  ? -24.322 -4.840  -8.965  1.00 37.61  ? 83  TRP   B CG  1 
ATOM   1033 C CD1 . TRP   B 2 74  ? -24.228 -5.950  -9.754  1.00 37.93  ? 83  TRP   B CD1 1 
ATOM   1034 C CD2 . TRP   B 2 74  ? -23.470 -3.842  -9.567  1.00 36.89  ? 83  TRP   B CD2 1 
ATOM   1035 N NE1 . TRP   B 2 74  ? -23.385 -5.714  -10.808 1.00 37.65  ? 83  TRP   B NE1 1 
ATOM   1036 C CE2 . TRP   B 2 74  ? -22.920 -4.428  -10.732 1.00 37.05  ? 83  TRP   B CE2 1 
ATOM   1037 C CE3 . TRP   B 2 74  ? -23.173 -2.498  -9.286  1.00 36.38  ? 83  TRP   B CE3 1 
ATOM   1038 C CZ2 . TRP   B 2 74  ? -22.069 -3.724  -11.589 1.00 36.66  ? 83  TRP   B CZ2 1 
ATOM   1039 C CZ3 . TRP   B 2 74  ? -22.299 -1.814  -10.099 1.00 36.12  ? 83  TRP   B CZ3 1 
ATOM   1040 C CH2 . TRP   B 2 74  ? -21.794 -2.415  -11.276 1.00 36.41  ? 83  TRP   B CH2 1 
ATOM   1041 N N   . LYS   B 2 75  ? -27.757 -4.888  -9.940  1.00 39.98  ? 84  LYS   B N   1 
ATOM   1042 C CA  . LYS   B 2 75  ? -28.740 -5.687  -10.726 1.00 41.27  ? 84  LYS   B CA  1 
ATOM   1043 C C   . LYS   B 2 75  ? -28.033 -6.473  -11.835 1.00 41.78  ? 84  LYS   B C   1 
ATOM   1044 O O   . LYS   B 2 75  ? -28.675 -7.388  -12.278 1.00 42.78  ? 84  LYS   B O   1 
ATOM   1045 C CB  . LYS   B 2 75  ? -29.805 -4.816  -11.412 1.00 41.59  ? 84  LYS   B CB  1 
ATOM   1046 C CG  . LYS   B 2 75  ? -30.659 -3.955  -10.506 1.00 41.64  ? 84  LYS   B CG  1 
ATOM   1047 C CD  . LYS   B 2 75  ? -31.587 -4.775  -9.624  1.00 42.46  ? 84  LYS   B CD  1 
ATOM   1048 C CE  . LYS   B 2 75  ? -32.329 -3.921  -8.611  1.00 42.53  ? 84  LYS   B CE  1 
ATOM   1049 N NZ  . LYS   B 2 75  ? -33.770 -3.779  -8.930  1.00 43.35  ? 84  LYS   B NZ  1 
ATOM   1050 N N   . LEU   B 2 76  ? -26.783 -6.132  -12.191 1.00 41.66  ? 85  LEU   B N   1 
ATOM   1051 C CA  . LEU   B 2 76  ? -26.045 -6.631  -13.403 1.00 42.21  ? 85  LEU   B CA  1 
ATOM   1052 C C   . LEU   B 2 76  ? -25.348 -7.949  -13.048 1.00 43.30  ? 85  LEU   B C   1 
ATOM   1053 O O   . LEU   B 2 76  ? -24.382 -7.927  -12.242 1.00 42.95  ? 85  LEU   B O   1 
ATOM   1054 C CB  . LEU   B 2 76  ? -25.028 -5.568  -13.850 1.00 41.31  ? 85  LEU   B CB  1 
ATOM   1055 C CG  . LEU   B 2 76  ? -25.594 -4.152  -13.988 1.00 40.93  ? 85  LEU   B CG  1 
ATOM   1056 C CD1 . LEU   B 2 76  ? -24.658 -3.217  -14.752 1.00 40.66  ? 85  LEU   B CD1 1 
ATOM   1057 C CD2 . LEU   B 2 76  ? -26.955 -4.157  -14.654 1.00 41.49  ? 85  LEU   B CD2 1 
ATOM   1058 N N   . ASP   B 2 77  ? -25.825 -9.076  -13.585 1.00 45.12  ? 86  ASP   B N   1 
ATOM   1059 C CA  . ASP   B 2 77  ? -25.322 -10.404 -13.145 1.00 46.54  ? 86  ASP   B CA  1 
ATOM   1060 C C   . ASP   B 2 77  ? -24.779 -11.229 -14.312 1.00 46.67  ? 86  ASP   B C   1 
ATOM   1061 O O   . ASP   B 2 77  ? -24.306 -12.342 -14.070 1.00 47.11  ? 86  ASP   B O   1 
ATOM   1062 C CB  . ASP   B 2 77  ? -26.399 -11.157 -12.369 1.00 48.47  ? 86  ASP   B CB  1 
ATOM   1063 C CG  . ASP   B 2 77  ? -27.703 -11.296 -13.128 1.00 50.33  ? 86  ASP   B CG  1 
ATOM   1064 O OD1 . ASP   B 2 77  ? -27.771 -10.822 -14.319 1.00 51.63  ? 86  ASP   B OD1 1 
ATOM   1065 O OD2 . ASP   B 2 77  ? -28.653 -11.878 -12.529 1.00 52.45  ? 86  ASP   B OD2 1 
ATOM   1066 N N   . ALA   B 2 78  ? -24.777 -10.705 -15.528 1.00 46.28  ? 87  ALA   B N   1 
ATOM   1067 C CA  . ALA   B 2 78  ? -24.221 -11.462 -16.665 1.00 46.59  ? 87  ALA   B CA  1 
ATOM   1068 C C   . ALA   B 2 78  ? -22.682 -11.523 -16.438 1.00 45.96  ? 87  ALA   B C   1 
ATOM   1069 O O   . ALA   B 2 78  ? -22.058 -10.634 -15.706 1.00 44.87  ? 87  ALA   B O   1 
ATOM   1070 C CB  . ALA   B 2 78  ? -24.688 -10.854 -17.987 1.00 46.66  ? 87  ALA   B CB  1 
ATOM   1071 N N   . ALA   B 2 79  ? -22.116 -12.671 -17.000 1.00 46.58  ? 88  ALA   B N   1 
ATOM   1072 C CA  . ALA   B 2 79  ? -20.661 -12.953 -16.942 1.00 46.53  ? 88  ALA   B CA  1 
ATOM   1073 C C   . ALA   B 2 79  ? -20.126 -13.251 -18.346 1.00 46.97  ? 88  ALA   B C   1 
ATOM   1074 O O   . ALA   B 2 79  ? -20.811 -13.982 -19.054 1.00 47.55  ? 88  ALA   B O   1 
ATOM   1075 C CB  . ALA   B 2 79  ? -20.392 -14.137 -16.044 1.00 46.93  ? 88  ALA   B CB  1 
ATOM   1076 N N   . TRP   B 2 80  ? -18.933 -12.730 -18.660 1.00 46.88  ? 89  TRP   B N   1 
ATOM   1077 C CA  . TRP   B 2 80  ? -18.068 -13.182 -19.788 1.00 47.89  ? 89  TRP   B CA  1 
ATOM   1078 C C   . TRP   B 2 80  ? -18.038 -14.719 -19.811 1.00 49.18  ? 89  TRP   B C   1 
ATOM   1079 O O   . TRP   B 2 80  ? -17.913 -15.336 -18.739 1.00 48.67  ? 89  TRP   B O   1 
ATOM   1080 C CB  . TRP   B 2 80  ? -16.648 -12.596 -19.726 1.00 47.46  ? 89  TRP   B CB  1 
ATOM   1081 C CG  . TRP   B 2 80  ? -15.859 -12.959 -20.952 1.00 48.13  ? 89  TRP   B CG  1 
ATOM   1082 C CD1 . TRP   B 2 80  ? -16.320 -13.020 -22.237 1.00 48.96  ? 89  TRP   B CD1 1 
ATOM   1083 C CD2 . TRP   B 2 80  ? -14.472 -13.328 -21.013 1.00 48.46  ? 89  TRP   B CD2 1 
ATOM   1084 N NE1 . TRP   B 2 80  ? -15.323 -13.418 -23.096 1.00 49.43  ? 89  TRP   B NE1 1 
ATOM   1085 C CE2 . TRP   B 2 80  ? -14.177 -13.618 -22.366 1.00 49.34  ? 89  TRP   B CE2 1 
ATOM   1086 C CE3 . TRP   B 2 80  ? -13.461 -13.462 -20.049 1.00 48.29  ? 89  TRP   B CE3 1 
ATOM   1087 C CZ2 . TRP   B 2 80  ? -12.902 -13.999 -22.779 1.00 49.88  ? 89  TRP   B CZ2 1 
ATOM   1088 C CZ3 . TRP   B 2 80  ? -12.205 -13.850 -20.461 1.00 48.74  ? 89  TRP   B CZ3 1 
ATOM   1089 C CH2 . TRP   B 2 80  ? -11.935 -14.121 -21.803 1.00 49.51  ? 89  TRP   B CH2 1 
ATOM   1090 N N   . ASP   B 2 81  ? -18.187 -15.314 -21.028 1.00 50.42  ? 90  ASP   B N   1 
ATOM   1091 C CA  . ASP   B 2 81  ? -18.254 -16.796 -21.223 1.00 52.24  ? 90  ASP   B CA  1 
ATOM   1092 C C   . ASP   B 2 81  ? -16.826 -17.397 -21.373 1.00 53.06  ? 90  ASP   B C   1 
ATOM   1093 O O   . ASP   B 2 81  ? -16.718 -18.658 -21.269 1.00 54.10  ? 90  ASP   B O   1 
ATOM   1094 C CB  . ASP   B 2 81  ? -19.080 -17.228 -22.441 1.00 53.18  ? 90  ASP   B CB  1 
ATOM   1095 C CG  . ASP   B 2 81  ? -18.486 -16.785 -23.812 1.00 53.71  ? 90  ASP   B CG  1 
ATOM   1096 O OD1 . ASP   B 2 81  ? -17.418 -16.172 -23.847 1.00 53.52  ? 90  ASP   B OD1 1 
ATOM   1097 O OD2 . ASP   B 2 81  ? -19.102 -17.120 -24.854 1.00 54.76  ? 90  ASP   B OD2 1 
ATOM   1098 N N   . GLY   B 2 82  ? -15.779 -16.550 -21.424 1.00 53.17  ? 91  GLY   B N   1 
ATOM   1099 C CA  . GLY   B 2 82  ? -14.347 -16.940 -21.325 1.00 53.56  ? 91  GLY   B CA  1 
ATOM   1100 C C   . GLY   B 2 82  ? -13.808 -17.254 -22.713 1.00 55.33  ? 91  GLY   B C   1 
ATOM   1101 O O   . GLY   B 2 82  ? -12.577 -17.604 -22.884 1.00 55.21  ? 91  GLY   B O   1 
ATOM   1102 N N   . LEU   B 2 83  ? -14.716 -17.225 -23.713 1.00 56.21  ? 92  LEU   B N   1 
ATOM   1103 C CA  . LEU   B 2 83  ? -14.412 -17.715 -25.087 1.00 58.18  ? 92  LEU   B CA  1 
ATOM   1104 C C   . LEU   B 2 83  ? -14.733 -16.642 -26.123 1.00 57.73  ? 92  LEU   B C   1 
ATOM   1105 O O   . LEU   B 2 83  ? -13.940 -16.435 -27.103 1.00 58.81  ? 92  LEU   B O   1 
ATOM   1106 C CB  . LEU   B 2 83  ? -15.254 -18.969 -25.318 1.00 60.03  ? 92  LEU   B CB  1 
ATOM   1107 C CG  . LEU   B 2 83  ? -14.771 -20.222 -24.581 1.00 61.56  ? 92  LEU   B CG  1 
ATOM   1108 C CD1 . LEU   B 2 83  ? -15.879 -21.271 -24.481 1.00 62.58  ? 92  LEU   B CD1 1 
ATOM   1109 C CD2 . LEU   B 2 83  ? -13.539 -20.794 -25.280 1.00 62.64  ? 92  LEU   B CD2 1 
ATOM   1110 N N   . SER   B 2 84  ? -15.922 -16.046 -26.012 1.00 56.61  ? 93  SER   B N   1 
ATOM   1111 C CA  . SER   B 2 84  ? -16.411 -15.131 -27.075 1.00 55.72  ? 93  SER   B CA  1 
ATOM   1112 C C   . SER   B 2 84  ? -15.850 -13.712 -26.954 1.00 53.92  ? 93  SER   B C   1 
ATOM   1113 O O   . SER   B 2 84  ? -15.550 -13.246 -25.857 1.00 52.81  ? 93  SER   B O   1 
ATOM   1114 C CB  . SER   B 2 84  ? -17.895 -14.999 -27.081 1.00 56.71  ? 93  SER   B CB  1 
ATOM   1115 O OG  . SER   B 2 84  ? -18.507 -16.144 -26.577 1.00 58.46  ? 93  SER   B OG  1 
ATOM   1116 N N   A GLU   B 2 85  ? -15.833 -12.976 -28.096 0.23 53.95  ? 94  GLU   B N   1 
ATOM   1117 N N   B GLU   B 2 85  ? -15.832 -12.976 -28.095 0.22 53.95  ? 94  GLU   B N   1 
ATOM   1118 N N   C GLU   B 2 85  ? -15.834 -12.978 -28.103 0.27 53.98  ? 94  GLU   B N   1 
ATOM   1119 N N   D GLU   B 2 85  ? -15.834 -12.978 -28.103 0.28 53.98  ? 94  GLU   B N   1 
ATOM   1120 C CA  A GLU   B 2 85  ? -15.537 -11.515 -28.147 0.23 53.07  ? 94  GLU   B CA  1 
ATOM   1121 C CA  B GLU   B 2 85  ? -15.536 -11.515 -28.145 0.22 53.07  ? 94  GLU   B CA  1 
ATOM   1122 C CA  C GLU   B 2 85  ? -15.556 -11.511 -28.173 0.27 53.11  ? 94  GLU   B CA  1 
ATOM   1123 C CA  D GLU   B 2 85  ? -15.557 -11.512 -28.173 0.28 53.11  ? 94  GLU   B CA  1 
ATOM   1124 C C   A GLU   B 2 85  ? -16.732 -10.760 -27.526 0.23 51.88  ? 94  GLU   B C   1 
ATOM   1125 C C   B GLU   B 2 85  ? -16.731 -10.760 -27.525 0.22 51.88  ? 94  GLU   B C   1 
ATOM   1126 C C   C GLU   B 2 85  ? -16.737 -10.768 -27.517 0.27 51.88  ? 94  GLU   B C   1 
ATOM   1127 C C   D GLU   B 2 85  ? -16.737 -10.768 -27.517 0.28 51.88  ? 94  GLU   B C   1 
ATOM   1128 O O   A GLU   B 2 85  ? -17.895 -11.277 -27.524 0.23 51.89  ? 94  GLU   B O   1 
ATOM   1129 O O   B GLU   B 2 85  ? -17.894 -11.278 -27.524 0.22 51.90  ? 94  GLU   B O   1 
ATOM   1130 O O   C GLU   B 2 85  ? -17.898 -11.278 -27.501 0.27 51.85  ? 94  GLU   B O   1 
ATOM   1131 O O   D GLU   B 2 85  ? -17.898 -11.278 -27.499 0.28 51.85  ? 94  GLU   B O   1 
ATOM   1132 C CB  A GLU   B 2 85  ? -15.377 -10.955 -29.583 0.23 54.06  ? 94  GLU   B CB  1 
ATOM   1133 C CB  B GLU   B 2 85  ? -15.376 -10.955 -29.581 0.22 54.06  ? 94  GLU   B CB  1 
ATOM   1134 C CB  C GLU   B 2 85  ? -15.509 -10.905 -29.608 0.27 54.12  ? 94  GLU   B CB  1 
ATOM   1135 C CB  D GLU   B 2 85  ? -15.509 -10.906 -29.609 0.28 54.13  ? 94  GLU   B CB  1 
ATOM   1136 C CG  A GLU   B 2 85  ? -14.084 -11.449 -30.148 0.23 54.83  ? 94  GLU   B CG  1 
ATOM   1137 C CG  B GLU   B 2 85  ? -14.083 -11.449 -30.146 0.22 54.83  ? 94  GLU   B CG  1 
ATOM   1138 C CG  C GLU   B 2 85  ? -14.194 -11.201 -30.247 0.27 54.91  ? 94  GLU   B CG  1 
ATOM   1139 C CG  D GLU   B 2 85  ? -14.194 -11.200 -30.247 0.28 54.91  ? 94  GLU   B CG  1 
ATOM   1140 C CD  A GLU   B 2 85  ? -13.780 -11.106 -31.603 0.23 55.96  ? 94  GLU   B CD  1 
ATOM   1141 C CD  B GLU   B 2 85  ? -13.782 -11.105 -31.601 0.22 55.95  ? 94  GLU   B CD  1 
ATOM   1142 C CD  C GLU   B 2 85  ? -13.962 -10.623 -31.640 0.27 55.96  ? 94  GLU   B CD  1 
ATOM   1143 C CD  D GLU   B 2 85  ? -13.962 -10.623 -31.641 0.28 55.96  ? 94  GLU   B CD  1 
ATOM   1144 O OE1 A GLU   B 2 85  ? -14.438 -10.215 -32.215 0.23 56.14  ? 94  GLU   B OE1 1 
ATOM   1145 O OE1 B GLU   B 2 85  ? -14.440 -10.212 -32.209 0.22 56.13  ? 94  GLU   B OE1 1 
ATOM   1146 O OE1 C GLU   B 2 85  ? -14.960 -10.232 -32.340 0.27 56.39  ? 94  GLU   B OE1 1 
ATOM   1147 O OE1 D GLU   B 2 85  ? -14.959 -10.231 -32.341 0.28 56.39  ? 94  GLU   B OE1 1 
ATOM   1148 O OE2 A GLU   B 2 85  ? -12.841 -11.762 -32.192 0.23 56.74  ? 94  GLU   B OE2 1 
ATOM   1149 O OE2 B GLU   B 2 85  ? -12.848 -11.761 -32.194 0.22 56.73  ? 94  GLU   B OE2 1 
ATOM   1150 O OE2 C GLU   B 2 85  ? -12.695 -10.604 -32.129 0.27 56.54  ? 94  GLU   B OE2 1 
ATOM   1151 O OE2 D GLU   B 2 85  ? -12.695 -10.607 -32.131 0.28 56.54  ? 94  GLU   B OE2 1 
ATOM   1152 N N   . VAL   B 2 86  ? -16.400 -9.517  -27.087 1.00 50.83  ? 95  VAL   B N   1 
ATOM   1153 C CA  . VAL   B 2 86  ? -17.347 -8.620  -26.392 1.00 49.33  ? 95  VAL   B CA  1 
ATOM   1154 C C   . VAL   B 2 86  ? -17.315 -7.273  -27.062 1.00 48.32  ? 95  VAL   B C   1 
ATOM   1155 O O   . VAL   B 2 86  ? -16.407 -7.014  -27.869 1.00 49.24  ? 95  VAL   B O   1 
ATOM   1156 C CB  . VAL   B 2 86  ? -16.973 -8.476  -24.903 1.00 47.80  ? 95  VAL   B CB  1 
ATOM   1157 C CG1 . VAL   B 2 86  ? -17.109 -9.854  -24.330 1.00 48.02  ? 95  VAL   B CG1 1 
ATOM   1158 C CG2 . VAL   B 2 86  ? -15.591 -7.894  -24.712 1.00 47.69  ? 95  VAL   B CG2 1 
ATOM   1159 N N   . GLN   B 2 87  ? -18.267 -6.422  -26.661 1.00 46.94  ? 96  GLN   B N   1 
ATOM   1160 C CA  . GLN   B 2 87  ? -18.297 -5.019  -27.104 1.00 46.51  ? 96  GLN   B CA  1 
ATOM   1161 C C   . GLN   B 2 87  ? -18.104 -4.005  -25.906 1.00 45.12  ? 96  GLN   B C   1 
ATOM   1162 O O   . GLN   B 2 87  ? -18.999 -4.068  -25.088 1.00 44.41  ? 96  GLN   B O   1 
ATOM   1163 C CB  . GLN   B 2 87  ? -19.595 -4.728  -27.910 1.00 46.83  ? 96  GLN   B CB  1 
ATOM   1164 C CG  . GLN   B 2 87  ? -19.481 -5.501  -29.272 1.00 47.95  ? 96  GLN   B CG  1 
ATOM   1165 C CD  . GLN   B 2 87  ? -20.521 -5.004  -30.324 1.00 48.58  ? 96  GLN   B CD  1 
ATOM   1166 O OE1 . GLN   B 2 87  ? -21.373 -4.145  -30.174 1.00 48.25  ? 96  GLN   B OE1 1 
ATOM   1167 N NE2 . GLN   B 2 87  ? -20.430 -5.600  -31.519 1.00 49.72  ? 96  GLN   B NE2 1 
ATOM   1168 N N   . LEU   B 2 88  ? -17.044 -3.180  -25.842 1.00 44.76  ? 97  LEU   B N   1 
ATOM   1169 C CA  . LEU   B 2 88  ? -16.996 -1.931  -25.024 1.00 44.01  ? 97  LEU   B CA  1 
ATOM   1170 C C   . LEU   B 2 88  ? -17.982 -0.903  -25.687 1.00 44.17  ? 97  LEU   B C   1 
ATOM   1171 O O   . LEU   B 2 88  ? -17.654 -0.474  -26.837 1.00 45.01  ? 97  LEU   B O   1 
ATOM   1172 C CB  . LEU   B 2 88  ? -15.573 -1.345  -24.882 1.00 44.12  ? 97  LEU   B CB  1 
ATOM   1173 C CG  . LEU   B 2 88  ? -15.446 -0.046  -24.094 1.00 43.63  ? 97  LEU   B CG  1 
ATOM   1174 C CD1 . LEU   B 2 88  ? -15.855 -0.283  -22.635 1.00 42.80  ? 97  LEU   B CD1 1 
ATOM   1175 C CD2 . LEU   B 2 88  ? -14.037 0.538   -24.178 1.00 44.08  ? 97  LEU   B CD2 1 
ATOM   1176 N N   . LEU   B 2 89  ? -19.099 -0.602  -24.999 1.00 43.42  ? 98  LEU   B N   1 
ATOM   1177 C CA  . LEU   B 2 89  ? -19.938 0.550   -25.401 1.00 43.52  ? 98  LEU   B CA  1 
ATOM   1178 C C   . LEU   B 2 89  ? -19.221 1.757   -24.785 1.00 43.19  ? 98  LEU   B C   1 
ATOM   1179 O O   . LEU   B 2 89  ? -19.612 2.216   -23.646 1.00 42.38  ? 98  LEU   B O   1 
ATOM   1180 C CB  . LEU   B 2 89  ? -21.358 0.269   -24.921 1.00 43.22  ? 98  LEU   B CB  1 
ATOM   1181 C CG  . LEU   B 2 89  ? -22.388 1.390   -24.994 1.00 43.37  ? 98  LEU   B CG  1 
ATOM   1182 C CD1 . LEU   B 2 89  ? -21.953 2.563   -25.897 1.00 43.98  ? 98  LEU   B CD1 1 
ATOM   1183 C CD2 . LEU   B 2 89  ? -23.737 0.845   -25.403 1.00 43.79  ? 98  LEU   B CD2 1 
ATOM   1184 N N   . ALA   B 2 90  ? -18.156 2.221   -25.512 1.00 43.71  ? 99  ALA   B N   1 
ATOM   1185 C CA  . ALA   B 2 90  ? -17.326 3.348   -24.985 1.00 43.62  ? 99  ALA   B CA  1 
ATOM   1186 C C   . ALA   B 2 90  ? -18.193 4.658   -25.117 1.00 43.74  ? 99  ALA   B C   1 
ATOM   1187 O O   . ALA   B 2 90  ? -18.988 4.892   -26.121 1.00 44.21  ? 99  ALA   B O   1 
ATOM   1188 C CB  . ALA   B 2 90  ? -15.982 3.416   -25.723 1.00 44.45  ? 99  ALA   B CB  1 
ATOM   1189 N N   . VAL   B 2 91  ? -18.254 5.433   -23.963 1.00 43.09  ? 100 VAL   B N   1 
ATOM   1190 C CA  . VAL   B 2 91  ? -18.896 6.785   -24.010 1.00 43.28  ? 100 VAL   B CA  1 
ATOM   1191 C C   . VAL   B 2 91  ? -17.791 7.808   -23.634 1.00 43.58  ? 100 VAL   B C   1 
ATOM   1192 O O   . VAL   B 2 91  ? -17.706 8.282   -22.489 1.00 42.80  ? 100 VAL   B O   1 
ATOM   1193 C CB  . VAL   B 2 91  ? -20.169 6.847   -23.101 1.00 42.51  ? 100 VAL   B CB  1 
ATOM   1194 C CG1 . VAL   B 2 91  ? -20.845 8.217   -23.101 1.00 42.82  ? 100 VAL   B CG1 1 
ATOM   1195 C CG2 . VAL   B 2 91  ? -21.175 5.767   -23.485 1.00 42.44  ? 100 VAL   B CG2 1 
ATOM   1196 N N   . PRO   B 2 92  ? -16.882 8.215   -24.571 1.00 44.51  ? 101 PRO   B N   1 
ATOM   1197 C CA  . PRO   B 2 92  ? -15.826 9.176   -24.251 1.00 45.06  ? 101 PRO   B CA  1 
ATOM   1198 C C   . PRO   B 2 92  ? -16.304 10.619  -24.167 1.00 45.62  ? 101 PRO   B C   1 
ATOM   1199 O O   . PRO   B 2 92  ? -17.259 11.036  -24.851 1.00 45.98  ? 101 PRO   B O   1 
ATOM   1200 C CB  . PRO   B 2 92  ? -14.857 9.177   -25.449 1.00 46.24  ? 101 PRO   B CB  1 
ATOM   1201 C CG  . PRO   B 2 92  ? -15.237 7.934   -26.222 1.00 46.11  ? 101 PRO   B CG  1 
ATOM   1202 C CD  . PRO   B 2 92  ? -16.733 7.747   -25.975 1.00 45.43  ? 101 PRO   B CD  1 
ATOM   1203 N N   . PRO   B 2 93  ? -15.531 11.445  -23.351 1.00 46.01  ? 102 PRO   B N   1 
ATOM   1204 C CA  . PRO   B 2 93  ? -15.898 12.833  -22.978 1.00 46.52  ? 102 PRO   B CA  1 
ATOM   1205 C C   . PRO   B 2 93  ? -16.068 13.638  -24.286 1.00 48.05  ? 102 PRO   B C   1 
ATOM   1206 O O   . PRO   B 2 93  ? -15.144 13.670  -25.099 1.00 48.96  ? 102 PRO   B O   1 
ATOM   1207 C CB  . PRO   B 2 93  ? -14.712 13.337  -22.128 1.00 46.65  ? 102 PRO   B CB  1 
ATOM   1208 C CG  . PRO   B 2 93  ? -14.206 12.060  -21.476 1.00 45.81  ? 102 PRO   B CG  1 
ATOM   1209 C CD  . PRO   B 2 93  ? -14.238 11.094  -22.662 1.00 46.02  ? 102 PRO   B CD  1 
ATOM   1210 N N   . GLY   B 2 94  ? -17.262 14.198  -24.479 1.00 48.47  ? 103 GLY   B N   1 
ATOM   1211 C CA  . GLY   B 2 94  ? -17.615 15.077  -25.606 1.00 50.05  ? 103 GLY   B CA  1 
ATOM   1212 C C   . GLY   B 2 94  ? -17.735 14.339  -26.942 1.00 51.03  ? 103 GLY   B C   1 
ATOM   1213 O O   . GLY   B 2 94  ? -17.839 15.026  -27.995 1.00 52.04  ? 103 GLY   B O   1 
ATOM   1214 N N   . GLU   B 2 95  ? -17.751 13.006  -26.950 1.00 50.99  ? 104 GLU   B N   1 
ATOM   1215 C CA  . GLU   B 2 95  ? -17.843 12.213  -28.209 1.00 52.18  ? 104 GLU   B CA  1 
ATOM   1216 C C   . GLU   B 2 95  ? -19.054 11.278  -28.102 1.00 51.99  ? 104 GLU   B C   1 
ATOM   1217 O O   . GLU   B 2 95  ? -19.488 10.960  -26.941 1.00 50.48  ? 104 GLU   B O   1 
ATOM   1218 C CB  . GLU   B 2 95  ? -16.525 11.473  -28.477 1.00 52.53  ? 104 GLU   B CB  1 
ATOM   1219 C CG  . GLU   B 2 95  ? -15.273 12.354  -28.295 1.00 53.47  ? 104 GLU   B CG  1 
ATOM   1220 C CD  . GLU   B 2 95  ? -13.903 11.703  -28.694 1.00 54.24  ? 104 GLU   B CD  1 
ATOM   1221 O OE1 . GLU   B 2 95  ? -13.735 10.457  -28.280 1.00 53.62  ? 104 GLU   B OE1 1 
ATOM   1222 O OE2 . GLU   B 2 95  ? -12.913 12.409  -29.054 1.00 55.80  ? 104 GLU   B OE2 1 
ATOM   1223 N N   . ARG   B 2 96  ? -19.618 10.914  -29.253 1.00 53.22  ? 105 ARG   B N   1 
ATOM   1224 C CA  . ARG   B 2 96  ? -20.817 10.047  -29.382 1.00 53.64  ? 105 ARG   B CA  1 
ATOM   1225 C C   . ARG   B 2 96  ? -20.393 8.631   -28.905 1.00 52.80  ? 105 ARG   B C   1 
ATOM   1226 O O   . ARG   B 2 96  ? -19.199 8.156   -29.215 1.00 52.67  ? 105 ARG   B O   1 
ATOM   1227 C CB  . ARG   B 2 96  ? -21.387 10.096  -30.815 1.00 55.78  ? 105 ARG   B CB  1 
ATOM   1228 C CG  . ARG   B 2 96  ? -22.685 9.310   -30.978 1.00 56.38  ? 105 ARG   B CG  1 
ATOM   1229 C CD  . ARG   B 2 96  ? -23.557 9.684   -32.173 1.00 58.04  ? 105 ARG   B CD  1 
ATOM   1230 N NE  . ARG   B 2 96  ? -22.866 9.693   -33.459 1.00 59.80  ? 105 ARG   B NE  1 
ATOM   1231 C CZ  . ARG   B 2 96  ? -22.272 10.760  -33.998 1.00 61.37  ? 105 ARG   B CZ  1 
ATOM   1232 N NH1 . ARG   B 2 96  ? -22.257 11.922  -33.357 1.00 61.30  ? 105 ARG   B NH1 1 
ATOM   1233 N NH2 . ARG   B 2 96  ? -21.723 10.668  -35.208 1.00 62.93  ? 105 ARG   B NH2 1 
ATOM   1234 N N   . ALA   B 2 97  ? -21.287 8.026   -28.095 1.00 51.88  ? 106 ALA   B N   1 
ATOM   1235 C CA  . ALA   B 2 97  ? -21.217 6.593   -27.715 1.00 51.36  ? 106 ALA   B CA  1 
ATOM   1236 C C   . ALA   B 2 97  ? -20.865 5.748   -28.940 1.00 52.42  ? 106 ALA   B C   1 
ATOM   1237 O O   . ALA   B 2 97  ? -21.530 5.979   -29.957 1.00 52.68  ? 106 ALA   B O   1 
ATOM   1238 C CB  . ALA   B 2 97  ? -22.539 6.153   -27.154 1.00 50.70  ? 106 ALA   B CB  1 
ATOM   1239 N N   . LYS   B 2 98  ? -19.933 4.791   -28.798 1.00 52.69  ? 107 LYS   B N   1 
ATOM   1240 C CA  . LYS   B 2 98  ? -19.398 3.914   -29.879 1.00 54.64  ? 107 LYS   B CA  1 
ATOM   1241 C C   . LYS   B 2 98  ? -19.220 2.481   -29.362 1.00 53.77  ? 107 LYS   B C   1 
ATOM   1242 O O   . LYS   B 2 98  ? -18.703 2.376   -28.224 1.00 52.46  ? 107 LYS   B O   1 
ATOM   1243 C CB  . LYS   B 2 98  ? -18.062 4.540   -30.289 1.00 56.19  ? 107 LYS   B CB  1 
ATOM   1244 C CG  . LYS   B 2 98  ? -17.375 3.958   -31.511 1.00 58.50  ? 107 LYS   B CG  1 
ATOM   1245 C CD  . LYS   B 2 98  ? -15.984 4.546   -31.712 1.00 60.11  ? 107 LYS   B CD  1 
ATOM   1246 C CE  . LYS   B 2 98  ? -15.291 4.936   -30.415 1.00 59.63  ? 107 LYS   B CE  1 
ATOM   1247 N NZ  . LYS   B 2 98  ? -13.832 5.089   -30.634 1.00 61.19  ? 107 LYS   B NZ  1 
ATOM   1248 N N   . ASN   B 2 99  ? -19.739 1.419   -30.187 1.00 53.40  ? 108 ASN   B N   1 
ATOM   1249 C CA  . ASN   B 2 99  ? -19.461 -0.008  -29.807 1.00 53.06  ? 108 ASN   B CA  1 
ATOM   1250 C C   . ASN   B 2 99  ? -18.042 -0.273  -30.316 1.00 52.89  ? 108 ASN   B C   1 
ATOM   1251 O O   . ASN   B 2 99  ? -17.800 -0.025  -31.538 1.00 53.58  ? 108 ASN   B O   1 
ATOM   1252 C CB  . ASN   B 2 99  ? -20.467 -1.070  -30.281 1.00 53.79  ? 108 ASN   B CB  1 
ATOM   1253 C CG  . ASN   B 2 99  ? -21.969 -0.758  -29.715 1.00 54.00  ? 108 ASN   B CG  1 
ATOM   1254 O OD1 . ASN   B 2 99  ? -22.491 0.355   -29.766 1.00 54.73  ? 108 ASN   B OD1 1 
ATOM   1255 N ND2 . ASN   B 2 99  ? -22.577 -1.693  -29.053 1.00 53.72  ? 108 ASN   B ND2 1 
ATOM   1256 N N   . ILE   B 2 100 ? -17.142 -0.885  -29.491 1.00 51.39  ? 109 ILE   B N   1 
ATOM   1257 C CA  . ILE   B 2 100 ? -15.838 -1.436  -30.001 1.00 51.59  ? 109 ILE   B CA  1 
ATOM   1258 C C   . ILE   B 2 100 ? -15.762 -2.917  -29.612 1.00 50.83  ? 109 ILE   B C   1 
ATOM   1259 O O   . ILE   B 2 100 ? -15.808 -3.234  -28.353 1.00 50.05  ? 109 ILE   B O   1 
ATOM   1260 C CB  . ILE   B 2 100 ? -14.654 -0.634  -29.433 1.00 51.72  ? 109 ILE   B CB  1 
ATOM   1261 C CG1 . ILE   B 2 100 ? -14.866 0.878   -29.571 1.00 52.25  ? 109 ILE   B CG1 1 
ATOM   1262 C CG2 . ILE   B 2 100 ? -13.354 -1.083  -30.025 1.00 52.56  ? 109 ILE   B CG2 1 
ATOM   1263 C CD1 . ILE   B 2 100 ? -14.701 1.409   -30.973 1.00 53.49  ? 109 ILE   B CD1 1 
ATOM   1264 N N   . GLN   B 2 101 ? -15.641 -3.793  -30.605 1.00 51.15  ? 110 GLN   B N   1 
ATOM   1265 C CA  . GLN   B 2 101 ? -15.594 -5.272  -30.462 1.00 50.95  ? 110 GLN   B CA  1 
ATOM   1266 C C   . GLN   B 2 101 ? -14.133 -5.682  -30.220 1.00 50.83  ? 110 GLN   B C   1 
ATOM   1267 O O   . GLN   B 2 101 ? -13.228 -5.201  -30.955 1.00 51.80  ? 110 GLN   B O   1 
ATOM   1268 C CB  . GLN   B 2 101 ? -16.204 -5.955  -31.700 1.00 52.20  ? 110 GLN   B CB  1 
ATOM   1269 C CG  . GLN   B 2 101 ? -16.302 -7.497  -31.692 1.00 52.48  ? 110 GLN   B CG  1 
ATOM   1270 C CD  . GLN   B 2 101 ? -17.398 -8.083  -32.879 1.00 53.42  ? 110 GLN   B CD  1 
ATOM   1271 O OE1 . GLN   B 2 101 ? -18.384 -7.409  -33.005 1.00 53.26  ? 110 GLN   B OE1 1 
ATOM   1272 N NE2 . GLN   B 2 101 ? -17.093 -9.422  -33.119 1.00 53.98  ? 110 GLN   B NE2 1 
ATOM   1273 N N   A THR   B 2 102 ? -13.917 -6.537  -29.192 0.23 50.13  ? 111 THR   B N   1 
ATOM   1274 N N   B THR   B 2 102 ? -13.917 -6.536  -29.192 0.22 50.13  ? 111 THR   B N   1 
ATOM   1275 N N   C THR   B 2 102 ? -13.913 -6.506  -29.173 0.27 50.07  ? 111 THR   B N   1 
ATOM   1276 N N   D THR   B 2 102 ? -13.913 -6.506  -29.173 0.28 50.07  ? 111 THR   B N   1 
ATOM   1277 C CA  A THR   B 2 102 ? -12.583 -7.056  -28.780 0.23 50.12  ? 111 THR   B CA  1 
ATOM   1278 C CA  B THR   B 2 102 ? -12.583 -7.056  -28.780 0.22 50.12  ? 111 THR   B CA  1 
ATOM   1279 C CA  C THR   B 2 102 ? -12.589 -7.071  -28.797 0.27 50.07  ? 111 THR   B CA  1 
ATOM   1280 C CA  D THR   B 2 102 ? -12.588 -7.071  -28.797 0.28 50.07  ? 111 THR   B CA  1 
ATOM   1281 C C   A THR   B 2 102 ? -12.753 -8.406  -28.071 0.23 49.79  ? 111 THR   B C   1 
ATOM   1282 C C   B THR   B 2 102 ? -12.754 -8.406  -28.071 0.22 49.79  ? 111 THR   B C   1 
ATOM   1283 C C   C THR   B 2 102 ? -12.810 -8.482  -28.233 0.27 49.88  ? 111 THR   B C   1 
ATOM   1284 C C   D THR   B 2 102 ? -12.810 -8.482  -28.234 0.28 49.88  ? 111 THR   B C   1 
ATOM   1285 O O   A THR   B 2 102 ? -13.807 -8.592  -27.418 0.23 49.28  ? 111 THR   B O   1 
ATOM   1286 O O   B THR   B 2 102 ? -13.807 -8.594  -27.420 0.22 49.28  ? 111 THR   B O   1 
ATOM   1287 O O   C THR   B 2 102 ? -13.977 -8.827  -27.947 0.27 49.67  ? 111 THR   B O   1 
ATOM   1288 O O   D THR   B 2 102 ? -13.977 -8.827  -27.949 0.28 49.68  ? 111 THR   B O   1 
ATOM   1289 C CB  A THR   B 2 102 ? -11.846 -6.004  -27.939 0.23 49.53  ? 111 THR   B CB  1 
ATOM   1290 C CB  B THR   B 2 102 ? -11.846 -6.005  -27.938 0.22 49.54  ? 111 THR   B CB  1 
ATOM   1291 C CB  C THR   B 2 102 ? -11.831 -6.090  -27.890 0.27 49.41  ? 111 THR   B CB  1 
ATOM   1292 C CB  D THR   B 2 102 ? -11.831 -6.090  -27.889 0.28 49.41  ? 111 THR   B CB  1 
ATOM   1293 O OG1 A THR   B 2 102 ? -10.467 -6.375  -27.915 0.23 49.97  ? 111 THR   B OG1 1 
ATOM   1294 O OG1 B THR   B 2 102 ? -10.467 -6.378  -27.912 0.22 49.97  ? 111 THR   B OG1 1 
ATOM   1295 O OG1 C THR   B 2 102 ? -10.471 -6.531  -27.855 0.27 49.81  ? 111 THR   B OG1 1 
ATOM   1296 O OG1 D THR   B 2 102 ? -10.471 -6.530  -27.855 0.28 49.81  ? 111 THR   B OG1 1 
ATOM   1297 C CG2 A THR   B 2 102 ? -12.407 -5.845  -26.539 0.23 48.41  ? 111 THR   B CG2 1 
ATOM   1298 C CG2 B THR   B 2 102 ? -12.407 -5.846  -26.539 0.22 48.41  ? 111 THR   B CG2 1 
ATOM   1299 C CG2 C THR   B 2 102 ? -12.420 -5.962  -26.498 0.27 48.27  ? 111 THR   B CG2 1 
ATOM   1300 C CG2 D THR   B 2 102 ? -12.421 -5.961  -26.498 0.28 48.27  ? 111 THR   B CG2 1 
ATOM   1301 N N   . LEU   B 2 103 ? -11.745 -9.286  -28.174 1.00 50.26  ? 112 LEU   B N   1 
ATOM   1302 C CA  . LEU   B 2 103 ? -11.710 -10.589 -27.438 1.00 50.09  ? 112 LEU   B CA  1 
ATOM   1303 C C   . LEU   B 2 103 ? -10.995 -10.300 -26.117 1.00 49.30  ? 112 LEU   B C   1 
ATOM   1304 O O   . LEU   B 2 103 ? -9.819  -9.887  -26.226 1.00 49.40  ? 112 LEU   B O   1 
ATOM   1305 C CB  . LEU   B 2 103 ? -10.915 -11.637 -28.244 1.00 51.19  ? 112 LEU   B CB  1 
ATOM   1306 C CG  . LEU   B 2 103 ? -10.762 -12.966 -27.499 1.00 51.17  ? 112 LEU   B CG  1 
ATOM   1307 C CD1 . LEU   B 2 103 ? -12.130 -13.615 -27.308 1.00 51.03  ? 112 LEU   B CD1 1 
ATOM   1308 C CD2 . LEU   B 2 103 ? -9.791  -13.921 -28.176 1.00 52.13  ? 112 LEU   B CD2 1 
ATOM   1309 N N   A PRO   B 2 104 ? -11.639 -10.460 -24.924 0.23 48.47  ? 113 PRO   B N   1 
ATOM   1310 N N   B PRO   B 2 104 ? -11.639 -10.460 -24.924 0.22 48.47  ? 113 PRO   B N   1 
ATOM   1311 N N   C PRO   B 2 104 ? -11.640 -10.462 -24.925 0.27 48.47  ? 113 PRO   B N   1 
ATOM   1312 N N   D PRO   B 2 104 ? -11.640 -10.462 -24.925 0.28 48.47  ? 113 PRO   B N   1 
ATOM   1313 C CA  A PRO   B 2 104 ? -10.974 -10.208 -23.647 0.23 47.91  ? 113 PRO   B CA  1 
ATOM   1314 C CA  B PRO   B 2 104 ? -10.974 -10.209 -23.646 0.22 47.91  ? 113 PRO   B CA  1 
ATOM   1315 C CA  C PRO   B 2 104 ? -10.976 -10.211 -23.648 0.27 47.91  ? 113 PRO   B CA  1 
ATOM   1316 C CA  D PRO   B 2 104 ? -10.976 -10.211 -23.648 0.28 47.91  ? 113 PRO   B CA  1 
ATOM   1317 C C   A PRO   B 2 104 ? -9.717  -11.093 -23.538 0.23 48.62  ? 113 PRO   B C   1 
ATOM   1318 C C   B PRO   B 2 104 ? -9.717  -11.094 -23.538 0.22 48.62  ? 113 PRO   B C   1 
ATOM   1319 C C   C PRO   B 2 104 ? -9.715  -11.091 -23.547 0.27 48.62  ? 113 PRO   B C   1 
ATOM   1320 C C   D PRO   B 2 104 ? -9.715  -11.091 -23.547 0.28 48.62  ? 113 PRO   B C   1 
ATOM   1321 O O   A PRO   B 2 104 ? -9.696  -12.231 -24.120 0.23 49.35  ? 113 PRO   B O   1 
ATOM   1322 O O   B PRO   B 2 104 ? -9.693  -12.232 -24.120 0.22 49.35  ? 113 PRO   B O   1 
ATOM   1323 O O   C PRO   B 2 104 ? -9.688  -12.233 -24.130 0.27 49.36  ? 113 PRO   B O   1 
ATOM   1324 O O   D PRO   B 2 104 ? -9.688  -12.235 -24.130 0.28 49.37  ? 113 PRO   B O   1 
ATOM   1325 C CB  A PRO   B 2 104 ? -12.070 -10.474 -22.579 0.23 47.10  ? 113 PRO   B CB  1 
ATOM   1326 C CB  B PRO   B 2 104 ? -12.069 -10.475 -22.578 0.22 47.10  ? 113 PRO   B CB  1 
ATOM   1327 C CB  C PRO   B 2 104 ? -12.069 -10.479 -22.580 0.27 47.10  ? 113 PRO   B CB  1 
ATOM   1328 C CB  D PRO   B 2 104 ? -12.069 -10.479 -22.580 0.28 47.10  ? 113 PRO   B CB  1 
ATOM   1329 C CG  A PRO   B 2 104 ? -13.374 -10.329 -23.343 0.23 47.18  ? 113 PRO   B CG  1 
ATOM   1330 C CG  B PRO   B 2 104 ? -13.374 -10.330 -23.342 0.22 47.18  ? 113 PRO   B CG  1 
ATOM   1331 C CG  C PRO   B 2 104 ? -13.373 -10.332 -23.343 0.27 47.18  ? 113 PRO   B CG  1 
ATOM   1332 C CG  D PRO   B 2 104 ? -13.373 -10.332 -23.343 0.28 47.18  ? 113 PRO   B CG  1 
ATOM   1333 C CD  A PRO   B 2 104 ? -13.055 -10.833 -24.742 0.23 48.19  ? 113 PRO   B CD  1 
ATOM   1334 C CD  B PRO   B 2 104 ? -13.055 -10.833 -24.741 0.22 48.19  ? 113 PRO   B CD  1 
ATOM   1335 C CD  C PRO   B 2 104 ? -13.056 -10.833 -24.744 0.27 48.19  ? 113 PRO   B CD  1 
ATOM   1336 C CD  D PRO   B 2 104 ? -13.055 -10.833 -24.744 0.28 48.19  ? 113 PRO   B CD  1 
ATOM   1337 N N   A GLY   B 2 105 ? -8.628  -10.444 -22.951 0.23 48.63  ? 114 GLY   B N   1 
ATOM   1338 N N   B GLY   B 2 105 ? -8.629  -10.444 -22.949 0.22 48.63  ? 114 GLY   B N   1 
ATOM   1339 N N   C GLY   B 2 105 ? -8.629  -10.420 -22.997 0.27 48.62  ? 114 GLY   B N   1 
ATOM   1340 N N   D GLY   B 2 105 ? -8.629  -10.421 -22.998 0.28 48.62  ? 114 GLY   B N   1 
ATOM   1341 C CA  A GLY   B 2 105 ? -7.506  -11.088 -22.212 0.23 48.99  ? 114 GLY   B CA  1 
ATOM   1342 C CA  B GLY   B 2 105 ? -7.507  -11.087 -22.211 0.22 48.99  ? 114 GLY   B CA  1 
ATOM   1343 C CA  C GLY   B 2 105 ? -7.510  -11.018 -22.221 0.27 48.94  ? 114 GLY   B CA  1 
ATOM   1344 C CA  D GLY   B 2 105 ? -7.510  -11.019 -22.221 0.28 48.94  ? 114 GLY   B CA  1 
ATOM   1345 C C   A GLY   B 2 105 ? -7.957  -11.601 -20.847 0.23 48.41  ? 114 GLY   B C   1 
ATOM   1346 C C   B GLY   B 2 105 ? -7.957  -11.599 -20.846 0.22 48.41  ? 114 GLY   B C   1 
ATOM   1347 C C   C GLY   B 2 105 ? -8.000  -11.557 -20.885 0.27 48.35  ? 114 GLY   B C   1 
ATOM   1348 C C   D GLY   B 2 105 ? -8.000  -11.559 -20.886 0.28 48.35  ? 114 GLY   B C   1 
ATOM   1349 O O   A GLY   B 2 105 ? -9.188  -11.704 -20.647 0.23 47.93  ? 114 GLY   B O   1 
ATOM   1350 O O   B GLY   B 2 105 ? -9.188  -11.700 -20.644 0.22 47.93  ? 114 GLY   B O   1 
ATOM   1351 O O   C GLY   B 2 105 ? -9.240  -11.730 -20.749 0.27 47.87  ? 114 GLY   B O   1 
ATOM   1352 O O   D GLY   B 2 105 ? -9.239  -11.733 -20.752 0.28 47.87  ? 114 GLY   B O   1 
ATOM   1353 N N   A ILE   B 2 106 ? -6.980  -12.056 -20.001 0.23 48.80  ? 115 ILE   B N   1 
ATOM   1354 N N   B ILE   B 2 106 ? -6.980  -12.056 -20.000 0.22 48.80  ? 115 ILE   B N   1 
ATOM   1355 N N   C ILE   B 2 106 ? -7.047  -11.891 -19.969 0.27 48.68  ? 115 ILE   B N   1 
ATOM   1356 N N   D ILE   B 2 106 ? -7.047  -11.891 -19.969 0.28 48.68  ? 115 ILE   B N   1 
ATOM   1357 C CA  A ILE   B 2 106 ? -7.205  -12.516 -18.592 0.23 48.42  ? 115 ILE   B CA  1 
ATOM   1358 C CA  B ILE   B 2 106 ? -7.205  -12.516 -18.591 0.22 48.42  ? 115 ILE   B CA  1 
ATOM   1359 C CA  C ILE   B 2 106 ? -7.318  -12.449 -18.606 0.27 48.33  ? 115 ILE   B CA  1 
ATOM   1360 C CA  D ILE   B 2 106 ? -7.318  -12.449 -18.606 0.28 48.33  ? 115 ILE   B CA  1 
ATOM   1361 C C   A ILE   B 2 106 ? -6.361  -11.660 -17.640 0.23 48.31  ? 115 ILE   B C   1 
ATOM   1362 C C   B ILE   B 2 106 ? -6.361  -11.660 -17.640 0.22 48.30  ? 115 ILE   B C   1 
ATOM   1363 C C   C ILE   B 2 106 ? -6.359  -11.812 -17.593 0.27 48.32  ? 115 ILE   B C   1 
ATOM   1364 C C   D ILE   B 2 106 ? -6.359  -11.812 -17.593 0.28 48.32  ? 115 ILE   B C   1 
ATOM   1365 O O   A ILE   B 2 106 ? -5.236  -11.270 -18.017 0.23 48.88  ? 115 ILE   B O   1 
ATOM   1366 O O   B ILE   B 2 106 ? -5.236  -11.270 -18.017 0.22 48.87  ? 115 ILE   B O   1 
ATOM   1367 O O   C ILE   B 2 106 ? -5.142  -11.765 -17.867 0.27 48.99  ? 115 ILE   B O   1 
ATOM   1368 O O   D ILE   B 2 106 ? -5.142  -11.766 -17.866 0.28 48.99  ? 115 ILE   B O   1 
ATOM   1369 C CB  A ILE   B 2 106 ? -6.857  -14.011 -18.412 0.23 49.06  ? 115 ILE   B CB  1 
ATOM   1370 C CB  B ILE   B 2 106 ? -6.857  -14.011 -18.411 0.22 49.06  ? 115 ILE   B CB  1 
ATOM   1371 C CB  C ILE   B 2 106 ? -7.200  -13.989 -18.612 0.27 48.97  ? 115 ILE   B CB  1 
ATOM   1372 C CB  D ILE   B 2 106 ? -7.200  -13.988 -18.612 0.28 48.97  ? 115 ILE   B CB  1 
ATOM   1373 C CG1 A ILE   B 2 106 ? -7.607  -14.904 -19.402 0.23 49.58  ? 115 ILE   B CG1 1 
ATOM   1374 C CG1 B ILE   B 2 106 ? -7.607  -14.905 -19.401 0.22 49.57  ? 115 ILE   B CG1 1 
ATOM   1375 C CG1 C ILE   B 2 106 ? -8.541  -14.653 -18.934 0.27 49.01  ? 115 ILE   B CG1 1 
ATOM   1376 C CG1 D ILE   B 2 106 ? -8.542  -14.653 -18.933 0.28 49.01  ? 115 ILE   B CG1 1 
ATOM   1377 C CG2 A ILE   B 2 106 ? -7.096  -14.465 -16.978 0.23 48.68  ? 115 ILE   B CG2 1 
ATOM   1378 C CG2 B ILE   B 2 106 ? -7.096  -14.464 -16.976 0.22 48.67  ? 115 ILE   B CG2 1 
ATOM   1379 C CG2 C ILE   B 2 106 ? -6.626  -14.528 -17.306 0.27 48.91  ? 115 ILE   B CG2 1 
ATOM   1380 C CG2 D ILE   B 2 106 ? -6.626  -14.528 -17.307 0.28 48.91  ? 115 ILE   B CG2 1 
ATOM   1381 C CD1 A ILE   B 2 106 ? -9.071  -15.079 -19.075 0.23 49.15  ? 115 ILE   B CD1 1 
ATOM   1382 C CD1 B ILE   B 2 106 ? -9.071  -15.079 -19.074 0.22 49.14  ? 115 ILE   B CD1 1 
ATOM   1383 C CD1 C ILE   B 2 106 ? -8.410  -16.062 -19.482 0.27 49.91  ? 115 ILE   B CD1 1 
ATOM   1384 C CD1 D ILE   B 2 106 ? -8.410  -16.062 -19.483 0.28 49.91  ? 115 ILE   B CD1 1 
ATOM   1385 N N   . PHE   B 2 107 ? -6.902  -11.383 -16.454 1.00 47.74  ? 116 PHE   B N   1 
ATOM   1386 C CA  . PHE   B 2 107 ? -6.123  -10.948 -15.277 1.00 48.04  ? 116 PHE   B CA  1 
ATOM   1387 C C   . PHE   B 2 107 ? -6.048  -12.253 -14.481 1.00 49.48  ? 116 PHE   B C   1 
ATOM   1388 O O   . PHE   B 2 107 ? -7.149  -12.844 -14.311 1.00 49.66  ? 116 PHE   B O   1 
ATOM   1389 C CB  . PHE   B 2 107 ? -6.866  -9.808  -14.579 1.00 47.08  ? 116 PHE   B CB  1 
ATOM   1390 C CG  . PHE   B 2 107 ? -6.607  -8.401  -15.050 1.00 46.88  ? 116 PHE   B CG  1 
ATOM   1391 C CD1 . PHE   B 2 107 ? -5.884  -8.131  -16.200 1.00 47.40  ? 116 PHE   B CD1 1 
ATOM   1392 C CD2 . PHE   B 2 107 ? -7.110  -7.325  -14.323 1.00 46.28  ? 116 PHE   B CD2 1 
ATOM   1393 C CE1 . PHE   B 2 107 ? -5.669  -6.826  -16.610 1.00 47.46  ? 116 PHE   B CE1 1 
ATOM   1394 C CE2 . PHE   B 2 107 ? -6.902  -6.020  -14.751 1.00 46.21  ? 116 PHE   B CE2 1 
ATOM   1395 C CZ  . PHE   B 2 107 ? -6.187  -5.776  -15.897 1.00 46.98  ? 116 PHE   B CZ  1 
ATOM   1396 N N   . LYS   B 2 108 ? -4.817  -12.802 -14.271 1.00 51.08  ? 117 LYS   B N   1 
ATOM   1397 C CA  . LYS   B 2 108 ? -4.558  -13.947 -13.352 1.00 51.86  ? 117 LYS   B CA  1 
ATOM   1398 C C   . LYS   B 2 108 ? -4.197  -13.348 -11.979 1.00 51.47  ? 117 LYS   B C   1 
ATOM   1399 O O   . LYS   B 2 108 ? -3.254  -12.514 -11.913 1.00 50.88  ? 117 LYS   B O   1 
ATOM   1400 C CB  . LYS   B 2 108 ? -3.505  -14.905 -13.938 1.00 53.65  ? 117 LYS   B CB  1 
ATOM   1401 C CG  . LYS   B 2 108 ? -3.817  -15.427 -15.342 1.00 55.22  ? 117 LYS   B CG  1 
ATOM   1402 C CD  . LYS   B 2 108 ? -3.041  -16.675 -15.815 1.00 57.02  ? 117 LYS   B CD  1 
ATOM   1403 C CE  . LYS   B 2 108 ? -3.821  -17.501 -16.836 1.00 58.26  ? 117 LYS   B CE  1 
ATOM   1404 N NZ  . LYS   B 2 108 ? -2.960  -18.418 -17.649 1.00 60.35  ? 117 LYS   B NZ  1 
ATOM   1405 N N   . THR   B 2 109 ? -5.011  -13.666 -10.965 1.00 51.00  ? 118 THR   B N   1 
ATOM   1406 C CA  . THR   B 2 109 ? -4.866  -13.231 -9.554  1.00 51.47  ? 118 THR   B CA  1 
ATOM   1407 C C   . THR   B 2 109 ? -4.903  -14.469 -8.651  1.00 52.25  ? 118 THR   B C   1 
ATOM   1408 O O   . THR   B 2 109 ? -5.365  -15.557 -9.088  1.00 52.08  ? 118 THR   B O   1 
ATOM   1409 C CB  . THR   B 2 109 ? -5.982  -12.260 -9.129  1.00 50.42  ? 118 THR   B CB  1 
ATOM   1410 O OG1 . THR   B 2 109 ? -7.154  -12.990 -8.746  1.00 49.92  ? 118 THR   B OG1 1 
ATOM   1411 C CG2 . THR   B 2 109 ? -6.442  -11.340 -10.237 1.00 49.99  ? 118 THR   B CG2 1 
ATOM   1412 N N   . LYS   B 2 110 ? -4.442  -14.298 -7.418  1.00 53.45  ? 119 LYS   B N   1 
ATOM   1413 C CA  . LYS   B 2 110 ? -4.425  -15.394 -6.407  1.00 54.87  ? 119 LYS   B CA  1 
ATOM   1414 C C   . LYS   B 2 110 ? -5.853  -15.936 -6.171  1.00 55.58  ? 119 LYS   B C   1 
ATOM   1415 O O   . LYS   B 2 110 ? -5.961  -17.168 -5.753  1.00 57.69  ? 119 LYS   B O   1 
ATOM   1416 C CB  . LYS   B 2 110 ? -3.811  -14.909 -5.093  1.00 54.51  ? 119 LYS   B CB  1 
ATOM   1417 C CG  . LYS   B 2 110 ? -4.303  -13.558 -4.608  1.00 53.85  ? 119 LYS   B CG  1 
ATOM   1418 C CD  . LYS   B 2 110 ? -3.792  -13.209 -3.213  1.00 54.67  ? 119 LYS   B CD  1 
ATOM   1419 C CE  . LYS   B 2 110 ? -4.798  -13.539 -2.138  1.00 54.34  ? 119 LYS   B CE  1 
ATOM   1420 N NZ  . LYS   B 2 110 ? -5.868  -12.511 -2.087  1.00 53.86  ? 119 LYS   B NZ  1 
ATOM   1421 N N   . ASP   B 2 111 ? -6.880  -15.052 -6.293  1.00 54.96  ? 120 ASP   B N   1 
ATOM   1422 C CA  . ASP   B 2 111 ? -8.301  -15.421 -6.033  1.00 55.27  ? 120 ASP   B CA  1 
ATOM   1423 C C   . ASP   B 2 111 ? -9.025  -15.723 -7.343  1.00 56.11  ? 120 ASP   B C   1 
ATOM   1424 O O   . ASP   B 2 111 ? -10.283 -15.801 -7.248  1.00 56.47  ? 120 ASP   B O   1 
ATOM   1425 C CB  . ASP   B 2 111 ? -9.053  -14.317 -5.283  1.00 54.47  ? 120 ASP   B CB  1 
ATOM   1426 C CG  . ASP   B 2 111 ? -8.331  -13.931 -4.005  1.00 54.53  ? 120 ASP   B CG  1 
ATOM   1427 O OD1 . ASP   B 2 111 ? -7.979  -14.843 -3.233  1.00 54.29  ? 120 ASP   B OD1 1 
ATOM   1428 O OD2 . ASP   B 2 111 ? -8.098  -12.740 -3.789  1.00 54.67  ? 120 ASP   B OD2 1 
ATOM   1429 N N   . GLY   B 2 112 ? -8.263  -15.823 -8.463  1.00 56.35  ? 121 GLY   B N   1 
ATOM   1430 C CA  . GLY   B 2 112 ? -8.706  -16.463 -9.709  1.00 57.13  ? 121 GLY   B CA  1 
ATOM   1431 C C   . GLY   B 2 112 ? -8.635  -15.523 -10.907 1.00 56.47  ? 121 GLY   B C   1 
ATOM   1432 O O   . GLY   B 2 112 ? -8.083  -14.379 -10.807 1.00 56.69  ? 121 GLY   B O   1 
ATOM   1433 N N   . ASP   B 2 113 ? -9.192  -15.987 -12.018 1.00 56.72  ? 122 ASP   B N   1 
ATOM   1434 C CA  . ASP   B 2 113 ? -9.061  -15.331 -13.357 1.00 55.85  ? 122 ASP   B CA  1 
ATOM   1435 C C   . ASP   B 2 113 ? -10.252 -14.366 -13.623 1.00 53.80  ? 122 ASP   B C   1 
ATOM   1436 O O   . ASP   B 2 113 ? -11.456 -14.797 -13.532 1.00 53.44  ? 122 ASP   B O   1 
ATOM   1437 C CB  . ASP   B 2 113 ? -9.038  -16.371 -14.486 1.00 57.79  ? 122 ASP   B CB  1 
ATOM   1438 C CG  . ASP   B 2 113 ? -7.741  -17.141 -14.731 1.00 59.43  ? 122 ASP   B CG  1 
ATOM   1439 O OD1 . ASP   B 2 113 ? -6.772  -16.968 -13.948 1.00 60.81  ? 122 ASP   B OD1 1 
ATOM   1440 O OD2 . ASP   B 2 113 ? -7.721  -17.940 -15.728 1.00 61.67  ? 122 ASP   B OD2 1 
ATOM   1441 N N   . ILE   B 2 114 ? -9.922  -13.108 -14.012 1.00 51.86  ? 123 ILE   B N   1 
ATOM   1442 C CA  . ILE   B 2 114 ? -10.935 -12.082 -14.401 1.00 50.15  ? 123 ILE   B CA  1 
ATOM   1443 C C   . ILE   B 2 114 ? -10.754 -11.787 -15.897 1.00 49.09  ? 123 ILE   B C   1 
ATOM   1444 O O   . ILE   B 2 114 ? -9.605  -11.533 -16.296 1.00 48.61  ? 123 ILE   B O   1 
ATOM   1445 C CB  . ILE   B 2 114 ? -10.788 -10.761 -13.611 1.00 49.58  ? 123 ILE   B CB  1 
ATOM   1446 C CG1 . ILE   B 2 114 ? -10.520 -10.959 -12.116 1.00 49.98  ? 123 ILE   B CG1 1 
ATOM   1447 C CG2 . ILE   B 2 114 ? -12.001 -9.865  -13.850 1.00 49.43  ? 123 ILE   B CG2 1 
ATOM   1448 C CD1 . ILE   B 2 114 ? -9.947  -9.699  -11.449 1.00 49.58  ? 123 ILE   B CD1 1 
ATOM   1449 N N   . GLY   B 2 115 ? -11.854 -11.661 -16.652 1.00 48.24  ? 124 GLY   B N   1 
ATOM   1450 C CA  . GLY   B 2 115 ? -11.761 -11.223 -18.064 1.00 47.74  ? 124 GLY   B CA  1 
ATOM   1451 C C   . GLY   B 2 115 ? -11.148 -9.825  -18.123 1.00 46.83  ? 124 GLY   B C   1 
ATOM   1452 O O   . GLY   B 2 115 ? -11.304 -9.029  -17.178 1.00 45.62  ? 124 GLY   B O   1 
ATOM   1453 N N   . ALA   B 2 116 ? -10.421 -9.468  -19.181 1.00 46.41  ? 125 ALA   B N   1 
ATOM   1454 C CA  . ALA   B 2 116 ? -9.844  -8.113  -19.222 1.00 46.08  ? 125 ALA   B CA  1 
ATOM   1455 C C   . ALA   B 2 116 ? -9.900  -7.630  -20.638 1.00 46.60  ? 125 ALA   B C   1 
ATOM   1456 O O   . ALA   B 2 116 ? -9.807  -8.451  -21.583 1.00 46.81  ? 125 ALA   B O   1 
ATOM   1457 C CB  . ALA   B 2 116 ? -8.438  -8.058  -18.716 1.00 46.47  ? 125 ALA   B CB  1 
ATOM   1458 N N   A VAL   B 2 117 ? -10.111 -6.321  -20.802 0.23 46.31  ? 126 VAL   B N   1 
ATOM   1459 N N   B VAL   B 2 117 ? -9.990  -6.304  -20.778 0.22 46.36  ? 126 VAL   B N   1 
ATOM   1460 N N   C VAL   B 2 117 ? -10.111 -6.320  -20.803 0.27 46.30  ? 126 VAL   B N   1 
ATOM   1461 N N   D VAL   B 2 117 ? -9.990  -6.303  -20.780 0.28 46.35  ? 126 VAL   B N   1 
ATOM   1462 C CA  A VAL   B 2 117 ? -10.066 -5.740  -22.179 0.23 47.09  ? 126 VAL   B CA  1 
ATOM   1463 C CA  B VAL   B 2 117 ? -10.101 -5.646  -22.109 0.22 47.06  ? 126 VAL   B CA  1 
ATOM   1464 C CA  C VAL   B 2 117 ? -10.066 -5.739  -22.180 0.27 47.10  ? 126 VAL   B CA  1 
ATOM   1465 C CA  D VAL   B 2 117 ? -10.101 -5.645  -22.110 0.28 47.07  ? 126 VAL   B CA  1 
ATOM   1466 C C   A VAL   B 2 117 ? -8.860  -4.793  -22.344 0.23 47.60  ? 126 VAL   B C   1 
ATOM   1467 C C   B VAL   B 2 117 ? -8.913  -4.694  -22.374 0.22 47.59  ? 126 VAL   B C   1 
ATOM   1468 C C   C VAL   B 2 117 ? -8.861  -4.791  -22.345 0.27 47.61  ? 126 VAL   B C   1 
ATOM   1469 C C   D VAL   B 2 117 ? -8.914  -4.691  -22.376 0.28 47.60  ? 126 VAL   B C   1 
ATOM   1470 O O   A VAL   B 2 117 ? -8.599  -3.922  -21.471 0.23 47.30  ? 126 VAL   B O   1 
ATOM   1471 O O   B VAL   B 2 117 ? -8.696  -3.726  -21.594 0.22 47.27  ? 126 VAL   B O   1 
ATOM   1472 O O   C VAL   B 2 117 ? -8.598  -3.919  -21.475 0.27 47.32  ? 126 VAL   B O   1 
ATOM   1473 O O   D VAL   B 2 117 ? -8.694  -3.722  -21.600 0.28 47.28  ? 126 VAL   B O   1 
ATOM   1474 C CB  A VAL   B 2 117 ? -11.377 -5.033  -22.608 0.23 46.74  ? 126 VAL   B CB  1 
ATOM   1475 C CB  B VAL   B 2 117 ? -11.449 -4.906  -22.247 0.22 46.61  ? 126 VAL   B CB  1 
ATOM   1476 C CB  C VAL   B 2 117 ? -11.377 -5.032  -22.609 0.27 46.74  ? 126 VAL   B CB  1 
ATOM   1477 C CB  D VAL   B 2 117 ? -11.449 -4.906  -22.248 0.28 46.61  ? 126 VAL   B CB  1 
ATOM   1478 C CG1 A VAL   B 2 117 ? -12.559 -5.997  -22.627 0.23 46.54  ? 126 VAL   B CG1 1 
ATOM   1479 C CG1 B VAL   B 2 117 ? -11.324 -3.682  -23.142 0.22 47.08  ? 126 VAL   B CG1 1 
ATOM   1480 C CG1 C VAL   B 2 117 ? -12.558 -5.997  -22.628 0.27 46.54  ? 126 VAL   B CG1 1 
ATOM   1481 C CG1 D VAL   B 2 117 ? -11.325 -3.680  -23.140 0.28 47.08  ? 126 VAL   B CG1 1 
ATOM   1482 C CG2 A VAL   B 2 117 ? -11.694 -3.806  -21.763 0.23 46.13  ? 126 VAL   B CG2 1 
ATOM   1483 C CG2 B VAL   B 2 117 ? -12.555 -5.832  -22.738 0.22 46.66  ? 126 VAL   B CG2 1 
ATOM   1484 C CG2 C VAL   B 2 117 ? -11.695 -3.804  -21.763 0.27 46.13  ? 126 VAL   B CG2 1 
ATOM   1485 C CG2 D VAL   B 2 117 ? -12.554 -5.832  -22.741 0.28 46.66  ? 126 VAL   B CG2 1 
ATOM   1486 N N   . ALA   B 2 118 ? -8.298  -4.794  -23.615 1.00 48.49  ? 127 ALA   B N   1 
ATOM   1487 C CA  . ALA   B 2 118 ? -7.114  -3.967  -23.914 1.00 49.26  ? 127 ALA   B CA  1 
ATOM   1488 C C   . ALA   B 2 118 ? -7.536  -2.868  -24.888 1.00 49.99  ? 127 ALA   B C   1 
ATOM   1489 O O   . ALA   B 2 118 ? -7.235  -3.010  -26.103 1.00 50.29  ? 127 ALA   B O   1 
ATOM   1490 C CB  . ALA   B 2 118 ? -6.031  -4.863  -24.465 1.00 50.22  ? 127 ALA   B CB  1 
ATOM   1491 N N   . LEU   B 2 119 ? -8.326  -1.903  -24.401 1.00 49.43  ? 128 LEU   B N   1 
ATOM   1492 C CA  . LEU   B 2 119 ? -8.735  -0.695  -25.166 1.00 50.19  ? 128 LEU   B CA  1 
ATOM   1493 C C   . LEU   B 2 119 ? -8.414  0.525   -24.302 1.00 50.57  ? 128 LEU   B C   1 
ATOM   1494 O O   . LEU   B 2 119 ? -8.712  0.466   -23.070 1.00 50.00  ? 128 LEU   B O   1 
ATOM   1495 C CB  . LEU   B 2 119 ? -10.228 -0.787  -25.503 1.00 49.58  ? 128 LEU   B CB  1 
ATOM   1496 C CG  . LEU   B 2 119 ? -10.681 -2.043  -26.267 1.00 49.66  ? 128 LEU   B CG  1 
ATOM   1497 C CD1 . LEU   B 2 119 ? -12.188 -2.228  -26.192 1.00 48.92  ? 128 LEU   B CD1 1 
ATOM   1498 C CD2 . LEU   B 2 119 ? -10.234 -2.000  -27.736 1.00 50.89  ? 128 LEU   B CD2 1 
ATOM   1499 N N   . ASP   B 2 120 ? -7.773  1.557   -24.858 1.00 52.20  ? 129 ASP   B N   1 
ATOM   1500 C CA  . ASP   B 2 120 ? -7.462  2.779   -24.072 1.00 52.72  ? 129 ASP   B CA  1 
ATOM   1501 C C   . ASP   B 2 120 ? -8.413  3.905   -24.470 1.00 52.55  ? 129 ASP   B C   1 
ATOM   1502 O O   . ASP   B 2 120 ? -8.506  4.197   -25.663 1.00 53.42  ? 129 ASP   B O   1 
ATOM   1503 C CB  . ASP   B 2 120 ? -6.015  3.250   -24.221 1.00 54.68  ? 129 ASP   B CB  1 
ATOM   1504 C CG  . ASP   B 2 120 ? -5.547  4.012   -22.940 1.00 54.97  ? 129 ASP   B CG  1 
ATOM   1505 O OD1 . ASP   B 2 120 ? -6.420  4.568   -22.175 1.00 55.02  ? 129 ASP   B OD1 1 
ATOM   1506 O OD2 . ASP   B 2 120 ? -4.325  4.050   -22.729 1.00 56.61  ? 129 ASP   B OD2 1 
ATOM   1507 N N   . TYR   B 2 121 ? -9.084  4.496   -23.489 1.00 51.47  ? 130 TYR   B N   1 
ATOM   1508 C CA  . TYR   B 2 121 ? -9.972  5.677   -23.602 1.00 51.52  ? 130 TYR   B CA  1 
ATOM   1509 C C   . TYR   B 2 121 ? -9.589  6.625   -22.472 1.00 50.66  ? 130 TYR   B C   1 
ATOM   1510 O O   . TYR   B 2 121 ? -8.863  6.210   -21.539 1.00 50.41  ? 130 TYR   B O   1 
ATOM   1511 C CB  . TYR   B 2 121 ? -11.429 5.206   -23.598 1.00 51.51  ? 130 TYR   B CB  1 
ATOM   1512 C CG  . TYR   B 2 121 ? -11.810 4.568   -24.907 1.00 52.98  ? 130 TYR   B CG  1 
ATOM   1513 C CD1 . TYR   B 2 121 ? -12.120 5.370   -25.994 1.00 54.37  ? 130 TYR   B CD1 1 
ATOM   1514 C CD2 . TYR   B 2 121 ? -11.746 3.191   -25.112 1.00 53.57  ? 130 TYR   B CD2 1 
ATOM   1515 C CE1 . TYR   B 2 121 ? -12.422 4.827   -27.228 1.00 55.47  ? 130 TYR   B CE1 1 
ATOM   1516 C CE2 . TYR   B 2 121 ? -12.027 2.634   -26.357 1.00 54.71  ? 130 TYR   B CE2 1 
ATOM   1517 C CZ  . TYR   B 2 121 ? -12.398 3.456   -27.404 1.00 55.56  ? 130 TYR   B CZ  1 
ATOM   1518 O OH  . TYR   B 2 121 ? -12.689 2.977   -28.649 1.00 58.80  ? 130 TYR   B OH  1 
ATOM   1519 N N   . PRO   B 2 122 ? -10.046 7.897   -22.487 1.00 50.04  ? 131 PRO   B N   1 
ATOM   1520 C CA  . PRO   B 2 122 ? -9.706  8.832   -21.418 1.00 49.64  ? 131 PRO   B CA  1 
ATOM   1521 C C   . PRO   B 2 122 ? -10.261 8.294   -20.095 1.00 47.46  ? 131 PRO   B C   1 
ATOM   1522 O O   . PRO   B 2 122 ? -11.173 7.477   -20.217 1.00 46.41  ? 131 PRO   B O   1 
ATOM   1523 C CB  . PRO   B 2 122 ? -10.394 10.133  -21.865 1.00 50.33  ? 131 PRO   B CB  1 
ATOM   1524 C CG  . PRO   B 2 122 ? -10.553 9.971   -23.367 1.00 51.33  ? 131 PRO   B CG  1 
ATOM   1525 C CD  . PRO   B 2 122 ? -10.912 8.506   -23.522 1.00 50.78  ? 131 PRO   B CD  1 
ATOM   1526 N N   . ALA   B 2 123 ? -9.713  8.749   -18.949 1.00 46.91  ? 132 ALA   B N   1 
ATOM   1527 C CA  . ALA   B 2 123 ? -10.208 8.450   -17.576 1.00 45.27  ? 132 ALA   B CA  1 
ATOM   1528 C C   . ALA   B 2 123 ? -11.737 8.653   -17.485 1.00 43.99  ? 132 ALA   B C   1 
ATOM   1529 O O   . ALA   B 2 123 ? -12.449 7.814   -16.835 1.00 42.89  ? 132 ALA   B O   1 
ATOM   1530 C CB  . ALA   B 2 123 ? -9.470  9.302   -16.558 1.00 45.69  ? 132 ALA   B CB  1 
ATOM   1531 N N   . GLY   B 2 124 ? -12.263 9.737   -18.155 1.00 43.84  ? 133 GLY   B N   1 
ATOM   1532 C CA  . GLY   B 2 124 ? -13.710 10.103  -18.102 1.00 42.85  ? 133 GLY   B CA  1 
ATOM   1533 C C   . GLY   B 2 124 ? -14.637 9.147   -18.886 1.00 42.03  ? 133 GLY   B C   1 
ATOM   1534 O O   . GLY   B 2 124 ? -15.921 9.459   -18.939 1.00 41.65  ? 133 GLY   B O   1 
ATOM   1535 N N   . THR   B 2 125 ? -13.917 7.992   -19.439 1.00 41.69  ? 134 THR   B N   1 
ATOM   1536 C CA  . THR   B 2 125 ? -14.643 6.835   -20.044 1.00 41.22  ? 134 THR   B CA  1 
ATOM   1537 C C   . THR   B 2 125 ? -14.974 5.758   -18.954 1.00 40.12  ? 134 THR   B C   1 
ATOM   1538 O O   . THR   B 2 125 ? -15.822 4.778   -19.158 1.00 39.75  ? 134 THR   B O   1 
ATOM   1539 C CB  . THR   B 2 125 ? -13.906 6.322   -21.325 1.00 42.10  ? 134 THR   B CB  1 
ATOM   1540 O OG1 . THR   B 2 125 ? -13.693 7.533   -22.020 1.00 42.92  ? 134 THR   B OG1 1 
ATOM   1541 C CG2 . THR   B 2 125 ? -14.661 5.331   -22.237 1.00 42.13  ? 134 THR   B CG2 1 
ATOM   1542 N N   . SER   B 2 126 ? -14.480 5.980   -17.751 1.00 39.42  ? 135 SER   B N   1 
ATOM   1543 C CA  . SER   B 2 126 ? -14.638 5.040   -16.581 1.00 38.49  ? 135 SER   B CA  1 
ATOM   1544 C C   . SER   B 2 126 ? -16.101 4.731   -16.104 1.00 37.68  ? 135 SER   B C   1 
ATOM   1545 O O   . SER   B 2 126 ? -16.855 5.675   -15.787 1.00 37.61  ? 135 SER   B O   1 
ATOM   1546 C CB  . SER   B 2 126 ? -14.002 5.590   -15.450 1.00 38.34  ? 135 SER   B CB  1 
ATOM   1547 O OG  . SER   B 2 126 ? -12.631 5.231   -15.389 1.00 38.69  ? 135 SER   B OG  1 
ATOM   1548 N N   A GLY   B 2 127 ? -16.492 3.440   -16.340 0.23 37.54  ? 136 GLY   B N   1 
ATOM   1549 N N   B GLY   B 2 127 ? -16.492 3.440   -16.342 0.22 37.54  ? 136 GLY   B N   1 
ATOM   1550 N N   C GLY   B 2 127 ? -16.463 3.433   -16.316 0.27 37.41  ? 136 GLY   B N   1 
ATOM   1551 N N   D GLY   B 2 127 ? -16.463 3.433   -16.315 0.28 37.41  ? 136 GLY   B N   1 
ATOM   1552 C CA  A GLY   B 2 127 ? -17.862 2.934   -16.128 0.23 37.20  ? 136 GLY   B CA  1 
ATOM   1553 C CA  B GLY   B 2 127 ? -17.862 2.934   -16.130 0.22 37.20  ? 136 GLY   B CA  1 
ATOM   1554 C CA  C GLY   B 2 127 ? -17.817 2.882   -16.115 0.27 36.99  ? 136 GLY   B CA  1 
ATOM   1555 C CA  D GLY   B 2 127 ? -17.818 2.882   -16.114 0.28 36.99  ? 136 GLY   B CA  1 
ATOM   1556 C C   A GLY   B 2 127 ? -18.663 2.737   -17.416 0.23 37.59  ? 136 GLY   B C   1 
ATOM   1557 C C   B GLY   B 2 127 ? -18.662 2.737   -17.418 0.22 37.59  ? 136 GLY   B C   1 
ATOM   1558 C C   C GLY   B 2 127 ? -18.515 2.469   -17.402 0.27 37.30  ? 136 GLY   B C   1 
ATOM   1559 C C   D GLY   B 2 127 ? -18.515 2.470   -17.400 0.28 37.30  ? 136 GLY   B C   1 
ATOM   1560 O O   A GLY   B 2 127 ? -19.880 2.461   -17.276 0.23 37.41  ? 136 GLY   B O   1 
ATOM   1561 O O   B GLY   B 2 127 ? -19.879 2.462   -17.282 0.22 37.42  ? 136 GLY   B O   1 
ATOM   1562 O O   C GLY   B 2 127 ? -19.678 1.986   -17.240 0.27 37.12  ? 136 GLY   B O   1 
ATOM   1563 O O   D GLY   B 2 127 ? -19.679 1.988   -17.238 0.28 37.12  ? 136 GLY   B O   1 
ATOM   1564 N N   A SER   B 2 128 ? -18.017 2.930   -18.593 0.23 38.19  ? 137 SER   B N   1 
ATOM   1565 N N   B SER   B 2 128 ? -18.015 2.930   -18.594 0.22 38.19  ? 137 SER   B N   1 
ATOM   1566 N N   C SER   B 2 128 ? -17.848 2.628   -18.583 0.27 37.82  ? 137 SER   B N   1 
ATOM   1567 N N   D SER   B 2 128 ? -17.848 2.628   -18.582 0.28 37.82  ? 137 SER   B N   1 
ATOM   1568 C CA  A SER   B 2 128 ? -18.451 2.463   -19.913 0.23 38.76  ? 137 SER   B CA  1 
ATOM   1569 C CA  B SER   B 2 128 ? -18.450 2.462   -19.915 0.22 38.76  ? 137 SER   B CA  1 
ATOM   1570 C CA  C SER   B 2 128 ? -18.422 2.307   -19.909 0.27 38.32  ? 137 SER   B CA  1 
ATOM   1571 C CA  D SER   B 2 128 ? -18.423 2.307   -19.907 0.28 38.32  ? 137 SER   B CA  1 
ATOM   1572 C C   A SER   B 2 128 ? -18.675 0.928   -19.728 0.23 38.65  ? 137 SER   B C   1 
ATOM   1573 C C   B SER   B 2 128 ? -18.674 0.927   -19.730 0.22 38.65  ? 137 SER   B C   1 
ATOM   1574 C C   C SER   B 2 128 ? -18.728 0.796   -19.802 0.27 38.19  ? 137 SER   B C   1 
ATOM   1575 C C   D SER   B 2 128 ? -18.729 0.796   -19.800 0.28 38.19  ? 137 SER   B C   1 
ATOM   1576 O O   A SER   B 2 128 ? -17.846 0.201   -19.180 0.23 38.52  ? 137 SER   B O   1 
ATOM   1577 O O   B SER   B 2 128 ? -17.845 0.200   -19.181 0.22 38.52  ? 137 SER   B O   1 
ATOM   1578 O O   C SER   B 2 128 ? -17.885 -0.033  -19.348 0.27 38.13  ? 137 SER   B O   1 
ATOM   1579 O O   D SER   B 2 128 ? -17.885 -0.033  -19.348 0.28 38.13  ? 137 SER   B O   1 
ATOM   1580 C CB  A SER   B 2 128 ? -17.487 2.935   -21.064 0.23 39.47  ? 137 SER   B CB  1 
ATOM   1581 C CB  B SER   B 2 128 ? -17.486 2.934   -21.066 0.22 39.47  ? 137 SER   B CB  1 
ATOM   1582 C CB  C SER   B 2 128 ? -17.551 2.841   -21.124 0.27 39.05  ? 137 SER   B CB  1 
ATOM   1583 C CB  D SER   B 2 128 ? -17.551 2.841   -21.123 0.28 39.05  ? 137 SER   B CB  1 
ATOM   1584 O OG  A SER   B 2 128 ? -17.551 4.351   -21.108 0.23 39.68  ? 137 SER   B OG  1 
ATOM   1585 O OG  B SER   B 2 128 ? -17.544 4.351   -21.110 0.22 39.68  ? 137 SER   B OG  1 
ATOM   1586 O OG  C SER   B 2 128 ? -17.607 4.277   -21.056 0.27 39.20  ? 137 SER   B OG  1 
ATOM   1587 O OG  D SER   B 2 128 ? -17.611 4.277   -21.056 0.28 39.20  ? 137 SER   B OG  1 
ATOM   1588 N N   A PRO   B 2 129 ? -19.853 0.413   -20.150 0.23 38.88  ? 138 PRO   B N   1 
ATOM   1589 N N   B PRO   B 2 129 ? -19.851 0.412   -20.155 0.22 38.88  ? 138 PRO   B N   1 
ATOM   1590 N N   C PRO   B 2 129 ? -19.982 0.387   -20.125 0.27 38.29  ? 138 PRO   B N   1 
ATOM   1591 N N   D PRO   B 2 129 ? -19.983 0.387   -20.123 0.28 38.29  ? 138 PRO   B N   1 
ATOM   1592 C CA  A PRO   B 2 129 ? -20.154 -1.028  -20.111 0.23 39.05  ? 138 PRO   B CA  1 
ATOM   1593 C CA  B PRO   B 2 129 ? -20.154 -1.029  -20.115 0.22 39.05  ? 138 PRO   B CA  1 
ATOM   1594 C CA  C PRO   B 2 129 ? -20.391 -1.024  -20.099 0.27 38.47  ? 138 PRO   B CA  1 
ATOM   1595 C CA  D PRO   B 2 129 ? -20.391 -1.024  -20.097 0.28 38.47  ? 138 PRO   B CA  1 
ATOM   1596 C C   A PRO   B 2 129 ? -19.541 -1.949  -21.207 0.23 39.90  ? 138 PRO   B C   1 
ATOM   1597 C C   B PRO   B 2 129 ? -19.541 -1.949  -21.210 0.22 39.90  ? 138 PRO   B C   1 
ATOM   1598 C C   C PRO   B 2 129 ? -19.860 -1.977  -21.217 0.27 39.37  ? 138 PRO   B C   1 
ATOM   1599 C C   D PRO   B 2 129 ? -19.859 -1.976  -21.216 0.28 39.37  ? 138 PRO   B C   1 
ATOM   1600 O O   A PRO   B 2 129 ? -19.300 -1.452  -22.258 0.23 40.38  ? 138 PRO   B O   1 
ATOM   1601 O O   B PRO   B 2 129 ? -19.294 -1.454  -22.262 0.22 40.39  ? 138 PRO   B O   1 
ATOM   1602 O O   C PRO   B 2 129 ? -20.124 -1.648  -22.348 0.27 39.89  ? 138 PRO   B O   1 
ATOM   1603 O O   D PRO   B 2 129 ? -20.123 -1.645  -22.347 0.28 39.89  ? 138 PRO   B O   1 
ATOM   1604 C CB  A PRO   B 2 129 ? -21.697 -1.075  -20.317 0.23 39.11  ? 138 PRO   B CB  1 
ATOM   1605 C CB  B PRO   B 2 129 ? -21.698 -1.075  -20.320 0.22 39.12  ? 138 PRO   B CB  1 
ATOM   1606 C CB  C PRO   B 2 129 ? -21.930 -0.966  -20.332 0.27 38.53  ? 138 PRO   B CB  1 
ATOM   1607 C CB  D PRO   B 2 129 ? -21.931 -0.966  -20.331 0.28 38.53  ? 138 PRO   B CB  1 
ATOM   1608 C CG  A PRO   B 2 129 ? -22.103 0.196   -21.092 0.23 39.35  ? 138 PRO   B CG  1 
ATOM   1609 C CG  B PRO   B 2 129 ? -22.102 0.196   -21.096 0.22 39.35  ? 138 PRO   B CG  1 
ATOM   1610 C CG  C PRO   B 2 129 ? -22.211 0.308   -21.159 0.27 38.78  ? 138 PRO   B CG  1 
ATOM   1611 C CG  D PRO   B 2 129 ? -22.211 0.307   -21.158 0.28 38.77  ? 138 PRO   B CG  1 
ATOM   1612 C CD  A PRO   B 2 129 ? -20.991 1.199   -20.794 0.23 39.14  ? 138 PRO   B CD  1 
ATOM   1613 C CD  B PRO   B 2 129 ? -20.990 1.199   -20.798 0.22 39.14  ? 138 PRO   B CD  1 
ATOM   1614 C CD  C PRO   B 2 129 ? -21.074 1.252   -20.743 0.27 38.50  ? 138 PRO   B CD  1 
ATOM   1615 C CD  D PRO   B 2 129 ? -21.074 1.252   -20.741 0.28 38.50  ? 138 PRO   B CD  1 
ATOM   1616 N N   A ILE   B 2 130 ? -19.231 -3.227  -20.873 0.23 40.20  ? 139 ILE   B N   1 
ATOM   1617 N N   B ILE   B 2 130 ? -19.230 -3.228  -20.874 0.22 40.21  ? 139 ILE   B N   1 
ATOM   1618 N N   C ILE   B 2 130 ? -19.112 -3.028  -20.835 0.27 39.66  ? 139 ILE   B N   1 
ATOM   1619 N N   D ILE   B 2 130 ? -19.113 -3.028  -20.834 0.28 39.66  ? 139 ILE   B N   1 
ATOM   1620 C CA  A ILE   B 2 130 ? -18.789 -4.374  -21.769 0.23 41.08  ? 139 ILE   B CA  1 
ATOM   1621 C CA  B ILE   B 2 130 ? -18.788 -4.375  -21.770 0.22 41.08  ? 139 ILE   B CA  1 
ATOM   1622 C CA  C ILE   B 2 130 ? -18.745 -4.259  -21.665 0.27 40.53  ? 139 ILE   B CA  1 
ATOM   1623 C CA  D ILE   B 2 130 ? -18.746 -4.259  -21.664 0.28 40.53  ? 139 ILE   B CA  1 
ATOM   1624 C C   A ILE   B 2 130 ? -20.002 -5.319  -21.899 0.23 41.62  ? 139 ILE   B C   1 
ATOM   1625 C C   B ILE   B 2 130 ? -20.001 -5.321  -21.900 0.22 41.62  ? 139 ILE   B C   1 
ATOM   1626 C C   C ILE   B 2 130 ? -20.035 -5.112  -21.731 0.27 41.06  ? 139 ILE   B C   1 
ATOM   1627 C C   D ILE   B 2 130 ? -20.035 -5.111  -21.731 0.28 41.06  ? 139 ILE   B C   1 
ATOM   1628 O O   A ILE   B 2 130 ? -20.538 -5.730  -20.841 0.23 41.25  ? 139 ILE   B O   1 
ATOM   1629 O O   B ILE   B 2 130 ? -20.536 -5.731  -20.842 0.22 41.25  ? 139 ILE   B O   1 
ATOM   1630 O O   C ILE   B 2 130 ? -20.785 -5.103  -20.712 0.27 40.61  ? 139 ILE   B O   1 
ATOM   1631 O O   D ILE   B 2 130 ? -20.787 -5.101  -20.712 0.28 40.61  ? 139 ILE   B O   1 
ATOM   1632 C CB  A ILE   B 2 130 ? -17.531 -5.099  -21.210 0.23 40.98  ? 139 ILE   B CB  1 
ATOM   1633 C CB  B ILE   B 2 130 ? -17.530 -5.100  -21.211 0.22 40.98  ? 139 ILE   B CB  1 
ATOM   1634 C CB  C ILE   B 2 130 ? -17.556 -5.026  -21.028 0.27 40.38  ? 139 ILE   B CB  1 
ATOM   1635 C CB  D ILE   B 2 130 ? -17.557 -5.025  -21.027 0.28 40.38  ? 139 ILE   B CB  1 
ATOM   1636 C CG1 A ILE   B 2 130 ? -16.342 -4.141  -21.057 0.23 40.85  ? 139 ILE   B CG1 1 
ATOM   1637 C CG1 B ILE   B 2 130 ? -16.342 -4.141  -21.058 0.22 40.85  ? 139 ILE   B CG1 1 
ATOM   1638 C CG1 C ILE   B 2 130 ? -16.447 -4.073  -20.560 0.27 40.08  ? 139 ILE   B CG1 1 
ATOM   1639 C CG1 D ILE   B 2 130 ? -16.447 -4.073  -20.560 0.28 40.08  ? 139 ILE   B CG1 1 
ATOM   1640 C CG2 A ILE   B 2 130 ? -17.143 -6.316  -22.054 0.23 41.68  ? 139 ILE   B CG2 1 
ATOM   1641 C CG2 B ILE   B 2 130 ? -17.142 -6.317  -22.055 0.22 41.68  ? 139 ILE   B CG2 1 
ATOM   1642 C CG2 C ILE   B 2 130 ? -16.991 -6.093  -21.967 0.27 41.08  ? 139 ILE   B CG2 1 
ATOM   1643 C CG2 D ILE   B 2 130 ? -16.991 -6.093  -21.966 0.28 41.08  ? 139 ILE   B CG2 1 
ATOM   1644 C CD1 A ILE   B 2 130 ? -15.288 -4.604  -20.063 0.23 40.59  ? 139 ILE   B CD1 1 
ATOM   1645 C CD1 B ILE   B 2 130 ? -15.287 -4.604  -20.065 0.22 40.59  ? 139 ILE   B CD1 1 
ATOM   1646 C CD1 C ILE   B 2 130 ? -15.894 -4.395  -19.185 0.27 39.59  ? 139 ILE   B CD1 1 
ATOM   1647 C CD1 D ILE   B 2 130 ? -15.894 -4.395  -19.186 0.28 39.59  ? 139 ILE   B CD1 1 
ATOM   1648 N N   A LEU   B 2 131 ? -20.474 -5.605  -23.142 0.23 42.67  ? 140 LEU   B N   1 
ATOM   1649 N N   B LEU   B 2 131 ? -20.474 -5.607  -23.142 0.22 42.67  ? 140 LEU   B N   1 
ATOM   1650 N N   C LEU   B 2 131 ? -20.349 -5.719  -22.905 0.27 42.22  ? 140 LEU   B N   1 
ATOM   1651 N N   D LEU   B 2 131 ? -20.350 -5.718  -22.905 0.28 42.22  ? 140 LEU   B N   1 
ATOM   1652 C CA  A LEU   B 2 131 ? -21.668 -6.476  -23.407 0.23 43.42  ? 140 LEU   B CA  1 
ATOM   1653 C CA  B LEU   B 2 131 ? -21.668 -6.476  -23.406 0.22 43.42  ? 140 LEU   B CA  1 
ATOM   1654 C CA  C LEU   B 2 131 ? -21.576 -6.556  -23.117 0.27 43.01  ? 140 LEU   B CA  1 
ATOM   1655 C CA  D LEU   B 2 131 ? -21.576 -6.555  -23.116 0.28 43.01  ? 140 LEU   B CA  1 
ATOM   1656 C C   A LEU   B 2 131 ? -21.278 -7.890  -23.932 0.23 44.27  ? 140 LEU   B C   1 
ATOM   1657 C C   B LEU   B 2 131 ? -21.279 -7.890  -23.931 0.22 44.27  ? 140 LEU   B C   1 
ATOM   1658 C C   C LEU   B 2 131 ? -21.274 -7.879  -23.903 0.27 44.08  ? 140 LEU   B C   1 
ATOM   1659 C C   D LEU   B 2 131 ? -21.273 -7.879  -23.903 0.28 44.08  ? 140 LEU   B C   1 
ATOM   1660 O O   A LEU   B 2 131 ? -20.214 -8.036  -24.581 0.23 44.58  ? 140 LEU   B O   1 
ATOM   1661 O O   B LEU   B 2 131 ? -20.212 -8.037  -24.578 0.22 44.58  ? 140 LEU   B O   1 
ATOM   1662 O O   C LEU   B 2 131 ? -20.326 -7.899  -24.706 0.27 44.45  ? 140 LEU   B O   1 
ATOM   1663 O O   D LEU   B 2 131 ? -20.326 -7.898  -24.705 0.28 44.45  ? 140 LEU   B O   1 
ATOM   1664 C CB  A LEU   B 2 131 ? -22.534 -5.900  -24.541 0.23 44.10  ? 140 LEU   B CB  1 
ATOM   1665 C CB  B LEU   B 2 131 ? -22.534 -5.901  -24.540 0.22 44.10  ? 140 LEU   B CB  1 
ATOM   1666 C CB  C LEU   B 2 131 ? -22.594 -5.813  -23.999 0.27 43.49  ? 140 LEU   B CB  1 
ATOM   1667 C CB  D LEU   B 2 131 ? -22.595 -5.813  -23.999 0.28 43.49  ? 140 LEU   B CB  1 
ATOM   1668 C CG  A LEU   B 2 131 ? -22.957 -4.437  -24.434 0.23 43.81  ? 140 LEU   B CG  1 
ATOM   1669 C CG  B LEU   B 2 131 ? -22.956 -4.437  -24.434 0.22 43.81  ? 140 LEU   B CG  1 
ATOM   1670 C CG  C LEU   B 2 131 ? -22.489 -4.293  -24.032 0.27 43.18  ? 140 LEU   B CG  1 
ATOM   1671 C CG  D LEU   B 2 131 ? -22.490 -4.293  -24.032 0.28 43.18  ? 140 LEU   B CG  1 
ATOM   1672 C CD1 A LEU   B 2 131 ? -24.015 -4.101  -25.486 0.23 44.56  ? 140 LEU   B CD1 1 
ATOM   1673 C CD1 B LEU   B 2 131 ? -24.014 -4.102  -25.486 0.22 44.56  ? 140 LEU   B CD1 1 
ATOM   1674 C CD1 C LEU   B 2 131 ? -23.050 -3.749  -25.339 0.27 43.93  ? 140 LEU   B CD1 1 
ATOM   1675 C CD1 D LEU   B 2 131 ? -23.050 -3.749  -25.339 0.28 43.93  ? 140 LEU   B CD1 1 
ATOM   1676 C CD2 A LEU   B 2 131 ? -23.467 -4.112  -23.041 0.23 43.10  ? 140 LEU   B CD2 1 
ATOM   1677 C CD2 B LEU   B 2 131 ? -23.467 -4.112  -23.040 0.22 43.10  ? 140 LEU   B CD2 1 
ATOM   1678 C CD2 C LEU   B 2 131 ? -23.196 -3.684  -22.838 0.27 42.55  ? 140 LEU   B CD2 1 
ATOM   1679 C CD2 D LEU   B 2 131 ? -23.196 -3.684  -22.838 0.28 42.55  ? 140 LEU   B CD2 1 
ATOM   1680 N N   . ASP   B 2 132 ? -22.302 -8.824  -23.782 1.00 44.79  ? 141 ASP   B N   1 
ATOM   1681 C CA  . ASP   B 2 132 ? -22.305 -10.103 -24.548 1.00 46.45  ? 141 ASP   B CA  1 
ATOM   1682 C C   . ASP   B 2 132 ? -23.166 -9.938  -25.832 1.00 48.22  ? 141 ASP   B C   1 
ATOM   1683 O O   . ASP   B 2 132 ? -23.736 -8.816  -25.974 1.00 47.87  ? 141 ASP   B O   1 
ATOM   1684 C CB  . ASP   B 2 132 ? -22.712 -11.307 -23.686 1.00 46.89  ? 141 ASP   B CB  1 
ATOM   1685 C CG  . ASP   B 2 132 ? -24.134 -11.337 -23.066 1.00 47.07  ? 141 ASP   B CG  1 
ATOM   1686 O OD1 . ASP   B 2 132 ? -24.989 -10.428 -23.370 1.00 47.13  ? 141 ASP   B OD1 1 
ATOM   1687 O OD2 . ASP   B 2 132 ? -24.334 -12.273 -22.213 1.00 47.56  ? 141 ASP   B OD2 1 
ATOM   1688 N N   . LYS   B 2 133 ? -23.313 -11.046 -26.587 1.00 50.62  ? 142 LYS   B N   1 
ATOM   1689 C CA  . LYS   B 2 133 ? -23.907 -11.060 -27.956 1.00 53.05  ? 142 LYS   B CA  1 
ATOM   1690 C C   . LYS   B 2 133 ? -25.419 -10.825 -27.830 1.00 53.76  ? 142 LYS   B C   1 
ATOM   1691 O O   . LYS   B 2 133 ? -26.028 -10.473 -28.809 1.00 54.32  ? 142 LYS   B O   1 
ATOM   1692 C CB  . LYS   B 2 133 ? -23.512 -12.344 -28.698 1.00 54.99  ? 142 LYS   B CB  1 
ATOM   1693 C CG  . LYS   B 2 133 ? -22.038 -12.384 -29.125 1.00 55.90  ? 142 LYS   B CG  1 
ATOM   1694 C CD  . LYS   B 2 133 ? -21.635 -13.483 -30.113 1.00 57.59  ? 142 LYS   B CD  1 
ATOM   1695 C CE  . LYS   B 2 133 ? -20.163 -13.380 -30.529 1.00 58.40  ? 142 LYS   B CE  1 
ATOM   1696 N NZ  . LYS   B 2 133 ? -19.466 -14.705 -30.669 1.00 59.50  ? 142 LYS   B NZ  1 
ATOM   1697 N N   . CYS   B 2 134 ? -25.980 -10.930 -26.623 1.00 53.78  ? 143 CYS   B N   1 
ATOM   1698 C CA  . CYS   B 2 134 ? -27.425 -10.712 -26.343 1.00 54.46  ? 143 CYS   B CA  1 
ATOM   1699 C C   . CYS   B 2 134 ? -27.690 -9.331  -25.592 1.00 52.40  ? 143 CYS   B C   1 
ATOM   1700 O O   . CYS   B 2 134 ? -28.850 -9.057  -25.211 1.00 52.31  ? 143 CYS   B O   1 
ATOM   1701 C CB  . CYS   B 2 134 ? -27.911 -11.783 -25.360 1.00 55.95  ? 143 CYS   B CB  1 
ATOM   1702 S SG  . CYS   B 2 134 ? -28.054 -13.412 -26.172 1.00 59.40  ? 143 CYS   B SG  1 
ATOM   1703 N N   . GLY   B 2 135 ? -26.557 -8.503  -25.644 1.00 50.82  ? 144 GLY   B N   1 
ATOM   1704 C CA  . GLY   B 2 135 ? -26.624 -7.121  -25.147 1.00 49.71  ? 144 GLY   B CA  1 
ATOM   1705 C C   . GLY   B 2 135 ? -26.676 -7.048  -23.625 1.00 48.30  ? 144 GLY   B C   1 
ATOM   1706 O O   . GLY   B 2 135 ? -26.949 -5.963  -23.132 1.00 47.84  ? 144 GLY   B O   1 
ATOM   1707 N N   . ARG   B 2 136 ? -26.382 -8.155  -22.919 1.00 47.99  ? 145 ARG   B N   1 
ATOM   1708 C CA  . ARG   B 2 136 ? -26.324 -8.169  -21.420 1.00 46.82  ? 145 ARG   B CA  1 
ATOM   1709 C C   . ARG   B 2 136 ? -25.013 -7.530  -20.969 1.00 45.12  ? 145 ARG   B C   1 
ATOM   1710 O O   . ARG   B 2 136 ? -23.941 -7.824  -21.632 1.00 44.80  ? 145 ARG   B O   1 
ATOM   1711 C CB  . ARG   B 2 136 ? -26.540 -9.591  -20.897 1.00 47.95  ? 145 ARG   B CB  1 
ATOM   1712 C CG  . ARG   B 2 136 ? -28.006 -9.998  -20.958 1.00 49.43  ? 145 ARG   B CG  1 
ATOM   1713 C CD  . ARG   B 2 136 ? -28.247 -11.437 -20.573 1.00 50.82  ? 145 ARG   B CD  1 
ATOM   1714 N NE  . ARG   B 2 136 ? -27.401 -12.320 -21.361 1.00 52.01  ? 145 ARG   B NE  1 
ATOM   1715 C CZ  . ARG   B 2 136 ? -26.809 -13.434 -20.927 1.00 52.67  ? 145 ARG   B CZ  1 
ATOM   1716 N NH1 . ARG   B 2 136 ? -26.932 -13.843 -19.666 1.00 53.12  ? 145 ARG   B NH1 1 
ATOM   1717 N NH2 . ARG   B 2 136 ? -26.063 -14.124 -21.773 1.00 53.65  ? 145 ARG   B NH2 1 
ATOM   1718 N N   . VAL   B 2 137 ? -25.115 -6.639  -19.920 1.00 43.65  ? 146 VAL   B N   1 
ATOM   1719 C CA  . VAL   B 2 137 ? -23.913 -5.998  -19.295 1.00 42.37  ? 146 VAL   B CA  1 
ATOM   1720 C C   . VAL   B 2 137 ? -23.214 -7.090  -18.481 1.00 41.86  ? 146 VAL   B C   1 
ATOM   1721 O O   . VAL   B 2 137 ? -23.786 -7.554  -17.442 1.00 41.82  ? 146 VAL   B O   1 
ATOM   1722 C CB  . VAL   B 2 137 ? -24.228 -4.741  -18.471 1.00 41.65  ? 146 VAL   B CB  1 
ATOM   1723 C CG1 . VAL   B 2 137 ? -22.952 -4.090  -17.977 1.00 41.07  ? 146 VAL   B CG1 1 
ATOM   1724 C CG2 . VAL   B 2 137 ? -25.032 -3.709  -19.258 1.00 41.98  ? 146 VAL   B CG2 1 
ATOM   1725 N N   . ILE   B 2 138 ? -22.042 -7.518  -18.951 1.00 41.42  ? 147 ILE   B N   1 
ATOM   1726 C CA  . ILE   B 2 138 ? -21.167 -8.483  -18.210 1.00 41.00  ? 147 ILE   B CA  1 
ATOM   1727 C C   . ILE   B 2 138 ? -20.166 -7.780  -17.298 1.00 40.01  ? 147 ILE   B C   1 
ATOM   1728 O O   . ILE   B 2 138 ? -19.313 -8.493  -16.663 1.00 40.08  ? 147 ILE   B O   1 
ATOM   1729 C CB  . ILE   B 2 138 ? -20.422 -9.399  -19.235 1.00 41.69  ? 147 ILE   B CB  1 
ATOM   1730 C CG1 . ILE   B 2 138 ? -19.525 -8.615  -20.218 1.00 41.71  ? 147 ILE   B CG1 1 
ATOM   1731 C CG2 . ILE   B 2 138 ? -21.410 -10.299 -19.931 1.00 42.42  ? 147 ILE   B CG2 1 
ATOM   1732 C CD1 . ILE   B 2 138 ? -18.319 -9.417  -20.698 1.00 42.27  ? 147 ILE   B CD1 1 
ATOM   1733 N N   A GLY   B 2 139 ? -20.228 -6.434  -17.226 0.23 39.48  ? 148 GLY   B N   1 
ATOM   1734 N N   B GLY   B 2 139 ? -20.230 -6.434  -17.224 0.22 39.48  ? 148 GLY   B N   1 
ATOM   1735 N N   C GLY   B 2 139 ? -20.238 -6.451  -17.189 0.27 39.47  ? 148 GLY   B N   1 
ATOM   1736 N N   D GLY   B 2 139 ? -20.237 -6.451  -17.191 0.28 39.47  ? 148 GLY   B N   1 
ATOM   1737 C CA  A GLY   B 2 139 ? -19.459 -5.563  -16.275 0.23 38.80  ? 148 GLY   B CA  1 
ATOM   1738 C CA  B GLY   B 2 139 ? -19.459 -5.563  -16.274 0.22 38.80  ? 148 GLY   B CA  1 
ATOM   1739 C CA  C GLY   B 2 139 ? -19.357 -5.675  -16.256 0.27 38.80  ? 148 GLY   B CA  1 
ATOM   1740 C CA  D GLY   B 2 139 ? -19.357 -5.676  -16.256 0.28 38.80  ? 148 GLY   B CA  1 
ATOM   1741 C C   A GLY   B 2 139 ? -19.043 -4.160  -16.914 0.23 38.59  ? 148 GLY   B C   1 
ATOM   1742 C C   B GLY   B 2 139 ? -19.043 -4.161  -16.915 0.22 38.59  ? 148 GLY   B C   1 
ATOM   1743 C C   C GLY   B 2 139 ? -18.774 -4.381  -16.991 0.27 38.63  ? 148 GLY   B C   1 
ATOM   1744 C C   D GLY   B 2 139 ? -18.773 -4.381  -16.991 0.28 38.63  ? 148 GLY   B C   1 
ATOM   1745 O O   A GLY   B 2 139 ? -19.526 -3.820  -18.017 0.23 38.85  ? 148 GLY   B O   1 
ATOM   1746 O O   B GLY   B 2 139 ? -19.526 -3.821  -18.016 0.22 38.85  ? 148 GLY   B O   1 
ATOM   1747 O O   C GLY   B 2 139 ? -19.281 -4.027  -18.089 0.27 38.88  ? 148 GLY   B O   1 
ATOM   1748 O O   D GLY   B 2 139 ? -19.279 -4.027  -18.090 0.28 38.88  ? 148 GLY   B O   1 
ATOM   1749 N N   A LEU   B 2 140 ? -18.246 -3.371  -16.133 0.23 38.10  ? 149 LEU   B N   1 
ATOM   1750 N N   B LEU   B 2 140 ? -18.244 -3.372  -16.135 0.22 38.10  ? 149 LEU   B N   1 
ATOM   1751 N N   C LEU   B 2 140 ? -18.033 -3.559  -16.187 0.27 38.11  ? 149 LEU   B N   1 
ATOM   1752 N N   D LEU   B 2 140 ? -18.033 -3.559  -16.186 0.28 38.11  ? 149 LEU   B N   1 
ATOM   1753 C CA  A LEU   B 2 140 ? -17.801 -1.996  -16.483 0.23 38.01  ? 149 LEU   B CA  1 
ATOM   1754 C CA  B LEU   B 2 140 ? -17.800 -1.996  -16.485 0.22 38.02  ? 149 LEU   B CA  1 
ATOM   1755 C CA  C LEU   B 2 140 ? -17.635 -2.189  -16.562 0.27 38.01  ? 149 LEU   B CA  1 
ATOM   1756 C CA  D LEU   B 2 140 ? -17.635 -2.189  -16.561 0.28 38.01  ? 149 LEU   B CA  1 
ATOM   1757 C C   A LEU   B 2 140 ? -16.280 -1.905  -16.640 0.23 38.28  ? 149 LEU   B C   1 
ATOM   1758 C C   B LEU   B 2 140 ? -16.279 -1.905  -16.642 0.22 38.29  ? 149 LEU   B C   1 
ATOM   1759 C C   C LEU   B 2 140 ? -16.138 -2.072  -16.752 0.27 38.31  ? 149 LEU   B C   1 
ATOM   1760 C C   D LEU   B 2 140 ? -16.138 -2.073  -16.752 0.28 38.31  ? 149 LEU   B C   1 
ATOM   1761 O O   A LEU   B 2 140 ? -15.494 -2.534  -15.871 0.23 38.20  ? 149 LEU   B O   1 
ATOM   1762 O O   B LEU   B 2 140 ? -15.493 -2.535  -15.877 0.22 38.21  ? 149 LEU   B O   1 
ATOM   1763 O O   C LEU   B 2 140 ? -15.323 -2.631  -15.946 0.27 38.23  ? 149 LEU   B O   1 
ATOM   1764 O O   D LEU   B 2 140 ? -15.323 -2.632  -15.946 0.28 38.23  ? 149 LEU   B O   1 
ATOM   1765 C CB  A LEU   B 2 140 ? -18.173 -0.985  -15.399 0.23 37.45  ? 149 LEU   B CB  1 
ATOM   1766 C CB  B LEU   B 2 140 ? -18.172 -0.985  -15.401 0.22 37.46  ? 149 LEU   B CB  1 
ATOM   1767 C CB  C LEU   B 2 140 ? -17.967 -1.167  -15.469 0.27 37.43  ? 149 LEU   B CB  1 
ATOM   1768 C CB  D LEU   B 2 140 ? -17.968 -1.168  -15.468 0.28 37.43  ? 149 LEU   B CB  1 
ATOM   1769 C CG  A LEU   B 2 140 ? -19.621 -1.102  -14.944 0.23 37.19  ? 149 LEU   B CG  1 
ATOM   1770 C CG  B LEU   B 2 140 ? -19.620 -1.102  -14.945 0.22 37.19  ? 149 LEU   B CG  1 
ATOM   1771 C CG  C LEU   B 2 140 ? -19.396 -1.262  -14.950 0.27 37.12  ? 149 LEU   B CG  1 
ATOM   1772 C CG  D LEU   B 2 140 ? -19.396 -1.262  -14.949 0.28 37.12  ? 149 LEU   B CG  1 
ATOM   1773 C CD1 A LEU   B 2 140 ? -19.898 -0.017  -13.918 0.23 36.81  ? 149 LEU   B CD1 1 
ATOM   1774 C CD1 B LEU   B 2 140 ? -19.897 -0.017  -13.920 0.22 36.81  ? 149 LEU   B CD1 1 
ATOM   1775 C CD1 C LEU   B 2 140 ? -19.657 -0.101  -14.008 0.27 36.75  ? 149 LEU   B CD1 1 
ATOM   1776 C CD1 D LEU   B 2 140 ? -19.657 -0.101  -14.008 0.28 36.75  ? 149 LEU   B CD1 1 
ATOM   1777 C CD2 A LEU   B 2 140 ? -20.624 -1.024  -16.086 0.23 37.54  ? 149 LEU   B CD2 1 
ATOM   1778 C CD2 B LEU   B 2 140 ? -20.623 -1.025  -16.088 0.22 37.54  ? 149 LEU   B CD2 1 
ATOM   1779 C CD2 C LEU   B 2 140 ? -20.430 -1.290  -16.049 0.27 37.47  ? 149 LEU   B CD2 1 
ATOM   1780 C CD2 D LEU   B 2 140 ? -20.430 -1.289  -16.048 0.28 37.47  ? 149 LEU   B CD2 1 
ATOM   1781 N N   A TYR   B 2 141 ? -15.958 -0.912  -17.605 0.23 38.68  ? 150 TYR   B N   1 
ATOM   1782 N N   B TYR   B 2 141 ? -15.958 -0.911  -17.607 0.22 38.68  ? 150 TYR   B N   1 
ATOM   1783 N N   C TYR   B 2 141 ? -15.888 -0.978  -17.649 0.27 38.65  ? 150 TYR   B N   1 
ATOM   1784 N N   D TYR   B 2 141 ? -15.888 -0.978  -17.648 0.28 38.65  ? 150 TYR   B N   1 
ATOM   1785 C CA  A TYR   B 2 141 ? -14.598 -0.546  -18.062 0.23 39.20  ? 150 TYR   B CA  1 
ATOM   1786 C CA  B TYR   B 2 141 ? -14.598 -0.545  -18.064 0.22 39.20  ? 150 TYR   B CA  1 
ATOM   1787 C CA  C TYR   B 2 141 ? -14.562 -0.523  -18.106 0.27 39.17  ? 150 TYR   B CA  1 
ATOM   1788 C CA  D TYR   B 2 141 ? -14.562 -0.524  -18.105 0.28 39.17  ? 150 TYR   B CA  1 
ATOM   1789 C C   A TYR   B 2 141 ? -14.057 0.616   -17.188 0.23 39.09  ? 150 TYR   B C   1 
ATOM   1790 C C   B TYR   B 2 141 ? -14.057 0.616   -17.189 0.22 39.09  ? 150 TYR   B C   1 
ATOM   1791 C C   C TYR   B 2 141 ? -14.074 0.583   -17.140 0.27 39.03  ? 150 TYR   B C   1 
ATOM   1792 C C   D TYR   B 2 141 ? -14.074 0.583   -17.140 0.28 39.03  ? 150 TYR   B C   1 
ATOM   1793 O O   A TYR   B 2 141 ? -14.833 1.517   -16.870 0.23 38.85  ? 150 TYR   B O   1 
ATOM   1794 O O   B TYR   B 2 141 ? -14.832 1.518   -16.870 0.22 38.85  ? 150 TYR   B O   1 
ATOM   1795 O O   C TYR   B 2 141 ? -14.885 1.406   -16.737 0.27 38.76  ? 150 TYR   B O   1 
ATOM   1796 O O   D TYR   B 2 141 ? -14.885 1.407   -16.738 0.28 38.76  ? 150 TYR   B O   1 
ATOM   1797 C CB  A TYR   B 2 141 ? -14.642 -0.246  -19.567 0.23 39.84  ? 150 TYR   B CB  1 
ATOM   1798 C CB  B TYR   B 2 141 ? -14.642 -0.246  -19.569 0.22 39.84  ? 150 TYR   B CB  1 
ATOM   1799 C CB  C TYR   B 2 141 ? -14.648 -0.089  -19.571 0.27 39.76  ? 150 TYR   B CB  1 
ATOM   1800 C CB  D TYR   B 2 141 ? -14.648 -0.089  -19.570 0.28 39.76  ? 150 TYR   B CB  1 
ATOM   1801 C CG  A TYR   B 2 141 ? -13.399 0.437   -20.078 0.23 40.46  ? 150 TYR   B CG  1 
ATOM   1802 C CG  B TYR   B 2 141 ? -13.399 0.437   -20.080 0.22 40.46  ? 150 TYR   B CG  1 
ATOM   1803 C CG  C TYR   B 2 141 ? -13.424 0.653   -20.058 0.27 40.35  ? 150 TYR   B CG  1 
ATOM   1804 C CG  D TYR   B 2 141 ? -13.424 0.653   -20.057 0.28 40.35  ? 150 TYR   B CG  1 
ATOM   1805 C CD1 A TYR   B 2 141 ? -13.340 1.849   -20.072 0.23 40.61  ? 150 TYR   B CD1 1 
ATOM   1806 C CD1 B TYR   B 2 141 ? -13.342 1.849   -20.075 0.22 40.61  ? 150 TYR   B CD1 1 
ATOM   1807 C CD1 C TYR   B 2 141 ? -13.404 2.065   -20.044 0.27 40.49  ? 150 TYR   B CD1 1 
ATOM   1808 C CD1 D TYR   B 2 141 ? -13.404 2.065   -20.042 0.28 40.49  ? 150 TYR   B CD1 1 
ATOM   1809 C CD2 A TYR   B 2 141 ? -12.272 -0.333  -20.566 0.23 41.02  ? 150 TYR   B CD2 1 
ATOM   1810 C CD2 B TYR   B 2 141 ? -12.271 -0.332  -20.565 0.22 41.02  ? 150 TYR   B CD2 1 
ATOM   1811 C CD2 C TYR   B 2 141 ? -12.256 -0.079  -20.546 0.27 40.91  ? 150 TYR   B CD2 1 
ATOM   1812 C CD2 D TYR   B 2 141 ? -12.256 -0.080  -20.547 0.28 40.91  ? 150 TYR   B CD2 1 
ATOM   1813 C CE1 A TYR   B 2 141 ? -12.202 2.480   -20.569 0.23 41.35  ? 150 TYR   B CE1 1 
ATOM   1814 C CE1 B TYR   B 2 141 ? -12.203 2.480   -20.571 0.22 41.35  ? 150 TYR   B CE1 1 
ATOM   1815 C CE1 C TYR   B 2 141 ? -12.294 2.745   -20.532 0.27 41.22  ? 150 TYR   B CE1 1 
ATOM   1816 C CE1 D TYR   B 2 141 ? -12.294 2.745   -20.531 0.28 41.22  ? 150 TYR   B CE1 1 
ATOM   1817 C CE2 A TYR   B 2 141 ? -11.129 0.273   -21.045 0.23 41.71  ? 150 TYR   B CE2 1 
ATOM   1818 C CE2 B TYR   B 2 141 ? -11.128 0.276   -21.043 0.22 41.71  ? 150 TYR   B CE2 1 
ATOM   1819 C CE2 C TYR   B 2 141 ? -11.131 0.575   -21.011 0.27 41.59  ? 150 TYR   B CE2 1 
ATOM   1820 C CE2 D TYR   B 2 141 ? -11.132 0.574   -21.013 0.28 41.60  ? 150 TYR   B CE2 1 
ATOM   1821 C CZ  A TYR   B 2 141 ? -11.081 1.692   -21.096 0.23 41.93  ? 150 TYR   B CZ  1 
ATOM   1822 C CZ  B TYR   B 2 141 ? -11.081 1.694   -21.093 0.22 41.93  ? 150 TYR   B CZ  1 
ATOM   1823 C CZ  C TYR   B 2 141 ? -11.149 2.011   -21.072 0.27 41.81  ? 150 TYR   B CZ  1 
ATOM   1824 C CZ  D TYR   B 2 141 ? -11.149 2.010   -21.073 0.28 41.81  ? 150 TYR   B CZ  1 
ATOM   1825 O OH  A TYR   B 2 141 ? -9.926  2.263   -21.585 0.23 42.85  ? 150 TYR   B OH  1 
ATOM   1826 O OH  B TYR   B 2 141 ? -9.926  2.267   -21.581 0.22 42.85  ? 150 TYR   B OH  1 
ATOM   1827 O OH  C TYR   B 2 141 ? -10.017 2.640   -21.536 0.27 42.67  ? 150 TYR   B OH  1 
ATOM   1828 O OH  D TYR   B 2 141 ? -10.017 2.639   -21.538 0.28 42.67  ? 150 TYR   B OH  1 
ATOM   1829 N N   . GLY   B 2 142 ? -12.793 0.539   -16.799 1.00 39.36  ? 151 GLY   B N   1 
ATOM   1830 C CA  . GLY   B 2 142 ? -12.103 1.687   -16.154 1.00 39.78  ? 151 GLY   B CA  1 
ATOM   1831 C C   . GLY   B 2 142 ? -11.256 1.380   -14.905 1.00 40.16  ? 151 GLY   B C   1 
ATOM   1832 O O   . GLY   B 2 142 ? -10.695 2.352   -14.405 1.00 40.41  ? 151 GLY   B O   1 
ATOM   1833 N N   . ASN   B 2 143 ? -11.155 0.116   -14.460 1.00 40.56  ? 152 ASN   B N   1 
ATOM   1834 C CA  . ASN   B 2 143 ? -10.213 -0.229  -13.341 1.00 41.24  ? 152 ASN   B CA  1 
ATOM   1835 C C   . ASN   B 2 143 ? -9.284  -1.423  -13.668 1.00 42.29  ? 152 ASN   B C   1 
ATOM   1836 O O   . ASN   B 2 143 ? -9.748  -2.649  -13.931 1.00 42.17  ? 152 ASN   B O   1 
ATOM   1837 C CB  . ASN   B 2 143 ? -10.920 -0.706  -12.063 1.00 40.56  ? 152 ASN   B CB  1 
ATOM   1838 C CG  . ASN   B 2 143 ? -9.971  -0.753  -10.881 1.00 40.66  ? 152 ASN   B CG  1 
ATOM   1839 O OD1 . ASN   B 2 143 ? -8.955  -0.006  -10.845 1.00 41.00  ? 152 ASN   B OD1 1 
ATOM   1840 N ND2 . ASN   B 2 143 ? -10.316 -1.604  -9.897  1.00 40.15  ? 152 ASN   B ND2 1 
ATOM   1841 N N   . GLY   B 2 144 ? -7.988  -1.065  -13.950 1.00 44.19  ? 153 GLY   B N   1 
ATOM   1842 C CA  . GLY   B 2 144 ? -7.064  -1.996  -14.698 1.00 46.51  ? 153 GLY   B CA  1 
ATOM   1843 C C   . GLY   B 2 144 ? -5.624  -1.641  -14.440 1.00 48.56  ? 153 GLY   B C   1 
ATOM   1844 O O   . GLY   B 2 144 ? -5.341  -1.212  -13.276 1.00 48.00  ? 153 GLY   B O   1 
ATOM   1845 N N   A VAL   B 2 145 ? -4.731  -1.782  -15.438 0.23 49.78  ? 154 VAL   B N   1 
ATOM   1846 N N   B VAL   B 2 145 ? -4.731  -1.781  -15.438 0.22 49.78  ? 154 VAL   B N   1 
ATOM   1847 N N   C VAL   B 2 145 ? -4.730  -1.783  -15.437 0.27 49.77  ? 154 VAL   B N   1 
ATOM   1848 N N   D VAL   B 2 145 ? -4.756  -1.757  -15.456 0.28 49.76  ? 154 VAL   B N   1 
ATOM   1849 C CA  A VAL   B 2 145 ? -3.253  -1.680  -15.235 0.23 51.27  ? 154 VAL   B CA  1 
ATOM   1850 C CA  B VAL   B 2 145 ? -3.253  -1.680  -15.236 0.22 51.28  ? 154 VAL   B CA  1 
ATOM   1851 C CA  C VAL   B 2 145 ? -3.253  -1.680  -15.234 0.27 51.26  ? 154 VAL   B CA  1 
ATOM   1852 C CA  D VAL   B 2 145 ? -3.273  -1.699  -15.311 0.28 51.26  ? 154 VAL   B CA  1 
ATOM   1853 C C   A VAL   B 2 145 ? -2.576  -1.127  -16.502 0.23 53.04  ? 154 VAL   B C   1 
ATOM   1854 C C   B VAL   B 2 145 ? -2.575  -1.127  -16.502 0.22 53.04  ? 154 VAL   B C   1 
ATOM   1855 C C   C VAL   B 2 145 ? -2.576  -1.127  -16.501 0.27 53.04  ? 154 VAL   B C   1 
ATOM   1856 C C   D VAL   B 2 145 ? -2.683  -0.950  -16.514 0.28 52.95  ? 154 VAL   B C   1 
ATOM   1857 O O   A VAL   B 2 145 ? -3.048  -1.450  -17.623 0.23 53.06  ? 154 VAL   B O   1 
ATOM   1858 O O   B VAL   B 2 145 ? -3.047  -1.450  -17.623 0.22 53.06  ? 154 VAL   B O   1 
ATOM   1859 O O   C VAL   B 2 145 ? -3.048  -1.452  -17.621 0.27 53.06  ? 154 VAL   B O   1 
ATOM   1860 O O   D VAL   B 2 145 ? -3.359  -0.899  -17.571 0.28 52.76  ? 154 VAL   B O   1 
ATOM   1861 C CB  A VAL   B 2 145 ? -2.687  -3.053  -14.815 0.23 51.41  ? 154 VAL   B CB  1 
ATOM   1862 C CB  B VAL   B 2 145 ? -2.687  -3.054  -14.815 0.22 51.41  ? 154 VAL   B CB  1 
ATOM   1863 C CB  C VAL   B 2 145 ? -2.687  -3.053  -14.814 0.27 51.40  ? 154 VAL   B CB  1 
ATOM   1864 C CB  D VAL   B 2 145 ? -2.722  -3.131  -15.165 0.28 51.49  ? 154 VAL   B CB  1 
ATOM   1865 C CG1 A VAL   B 2 145 ? -2.598  -4.038  -15.980 0.23 51.73  ? 154 VAL   B CG1 1 
ATOM   1866 C CG1 B VAL   B 2 145 ? -2.597  -4.038  -15.980 0.22 51.74  ? 154 VAL   B CG1 1 
ATOM   1867 C CG1 C VAL   B 2 145 ? -2.599  -4.038  -15.979 0.27 51.72  ? 154 VAL   B CG1 1 
ATOM   1868 C CG1 D VAL   B 2 145 ? -1.305  -3.286  -15.697 0.28 52.69  ? 154 VAL   B CG1 1 
ATOM   1869 C CG2 A VAL   B 2 145 ? -1.349  -2.915  -14.111 0.23 52.08  ? 154 VAL   B CG2 1 
ATOM   1870 C CG2 B VAL   B 2 145 ? -1.349  -2.916  -14.111 0.22 52.08  ? 154 VAL   B CG2 1 
ATOM   1871 C CG2 C VAL   B 2 145 ? -1.347  -2.914  -14.111 0.27 52.06  ? 154 VAL   B CG2 1 
ATOM   1872 C CG2 D VAL   B 2 145 ? -2.822  -3.608  -13.721 0.28 50.82  ? 154 VAL   B CG2 1 
ATOM   1873 N N   . VAL   B 2 146 ? -1.518  -0.318  -16.307 1.00 54.47  ? 155 VAL   B N   1 
ATOM   1874 C CA  . VAL   B 2 146 ? -0.646  0.216   -17.399 1.00 57.99  ? 155 VAL   B CA  1 
ATOM   1875 C C   . VAL   B 2 146 ? 0.393   -0.878  -17.642 1.00 61.22  ? 155 VAL   B C   1 
ATOM   1876 O O   . VAL   B 2 146 ? 0.988   -1.347  -16.683 1.00 61.69  ? 155 VAL   B O   1 
ATOM   1877 C CB  . VAL   B 2 146 ? -0.003  1.554   -16.983 1.00 58.97  ? 155 VAL   B CB  1 
ATOM   1878 C CG1 . VAL   B 2 146 ? 0.899   2.126   -18.067 1.00 61.02  ? 155 VAL   B CG1 1 
ATOM   1879 C CG2 . VAL   B 2 146 ? -1.062  2.572   -16.592 1.00 58.52  ? 155 VAL   B CG2 1 
ATOM   1880 N N   A ILE   B 2 147 ? 0.613   -1.268  -18.904 0.23 62.82  ? 156 ILE   B N   1 
ATOM   1881 N N   B ILE   B 2 147 ? 0.613   -1.268  -18.904 0.22 62.81  ? 156 ILE   B N   1 
ATOM   1882 N N   C ILE   B 2 147 ? 0.590   -1.257  -18.908 0.27 62.98  ? 156 ILE   B N   1 
ATOM   1883 N N   D ILE   B 2 147 ? 0.591   -1.257  -18.908 0.28 62.98  ? 156 ILE   B N   1 
ATOM   1884 C CA  A ILE   B 2 147 ? 1.401   -2.491  -19.259 0.23 64.17  ? 156 ILE   B CA  1 
ATOM   1885 C CA  B ILE   B 2 147 ? 1.402   -2.490  -19.259 0.22 64.16  ? 156 ILE   B CA  1 
ATOM   1886 C CA  C ILE   B 2 147 ? 1.437   -2.424  -19.301 0.27 64.48  ? 156 ILE   B CA  1 
ATOM   1887 C CA  D ILE   B 2 147 ? 1.437   -2.423  -19.300 0.28 64.49  ? 156 ILE   B CA  1 
ATOM   1888 C C   A ILE   B 2 147 ? 2.778   -2.090  -19.807 0.23 66.36  ? 156 ILE   B C   1 
ATOM   1889 C C   B ILE   B 2 147 ? 2.778   -2.089  -19.807 0.22 66.36  ? 156 ILE   B C   1 
ATOM   1890 C C   C ILE   B 2 147 ? 2.787   -1.908  -19.808 0.27 66.73  ? 156 ILE   B C   1 
ATOM   1891 C C   D ILE   B 2 147 ? 2.788   -1.908  -19.807 0.28 66.73  ? 156 ILE   B C   1 
ATOM   1892 O O   A ILE   B 2 147 ? 3.018   -0.877  -19.971 0.23 67.12  ? 156 ILE   B O   1 
ATOM   1893 O O   B ILE   B 2 147 ? 3.018   -0.876  -19.973 0.22 67.11  ? 156 ILE   B O   1 
ATOM   1894 O O   C ILE   B 2 147 ? 2.890   -0.700  -20.092 0.27 67.51  ? 156 ILE   B O   1 
ATOM   1895 O O   D ILE   B 2 147 ? 2.891   -0.700  -20.091 0.28 67.51  ? 156 ILE   B O   1 
ATOM   1896 C CB  A ILE   B 2 147 ? 0.612   -3.404  -20.225 0.23 64.11  ? 156 ILE   B CB  1 
ATOM   1897 C CB  B ILE   B 2 147 ? 0.613   -3.403  -20.224 0.22 64.10  ? 156 ILE   B CB  1 
ATOM   1898 C CB  C ILE   B 2 147 ? 0.719   -3.338  -20.320 0.27 64.58  ? 156 ILE   B CB  1 
ATOM   1899 C CB  D ILE   B 2 147 ? 0.719   -3.338  -20.318 0.28 64.58  ? 156 ILE   B CB  1 
ATOM   1900 C CG1 A ILE   B 2 147 ? 0.061   -2.652  -21.441 0.23 64.57  ? 156 ILE   B CG1 1 
ATOM   1901 C CG1 B ILE   B 2 147 ? 0.063   -2.653  -21.443 0.22 64.56  ? 156 ILE   B CG1 1 
ATOM   1902 C CG1 C ILE   B 2 147 ? -0.092  -2.554  -21.358 0.27 64.79  ? 156 ILE   B CG1 1 
ATOM   1903 C CG1 D ILE   B 2 147 ? -0.091  -2.555  -21.358 0.28 64.80  ? 156 ILE   B CG1 1 
ATOM   1904 C CG2 A ILE   B 2 147 ? -0.490  -4.132  -19.469 0.23 63.03  ? 156 ILE   B CG2 1 
ATOM   1905 C CG2 B ILE   B 2 147 ? -0.491  -4.130  -19.468 0.22 63.02  ? 156 ILE   B CG2 1 
ATOM   1906 C CG2 C ILE   B 2 147 ? -0.146  -4.358  -19.593 0.27 63.71  ? 156 ILE   B CG2 1 
ATOM   1907 C CG2 D ILE   B 2 147 ? -0.145  -4.358  -19.590 0.28 63.72  ? 156 ILE   B CG2 1 
ATOM   1908 C CD1 A ILE   B 2 147 ? -0.376  -3.551  -22.576 0.23 64.62  ? 156 ILE   B CD1 1 
ATOM   1909 C CD1 B ILE   B 2 147 ? -0.378  -3.561  -22.571 0.22 64.61  ? 156 ILE   B CD1 1 
ATOM   1910 C CD1 C ILE   B 2 147 ? -0.520  -3.372  -22.558 0.27 64.84  ? 156 ILE   B CD1 1 
ATOM   1911 C CD1 D ILE   B 2 147 ? -0.525  -3.380  -22.552 0.28 64.84  ? 156 ILE   B CD1 1 
ATOM   1912 N N   A LYS   B 2 148 ? 3.641   -3.088  -20.054 0.23 67.73  ? 157 LYS   B N   1 
ATOM   1913 N N   B LYS   B 2 148 ? 3.641   -3.088  -20.054 0.22 67.73  ? 157 LYS   B N   1 
ATOM   1914 N N   C LYS   B 2 148 ? 3.777   -2.807  -19.878 0.27 68.18  ? 157 LYS   B N   1 
ATOM   1915 N N   D LYS   B 2 148 ? 3.777   -2.807  -19.877 0.28 68.18  ? 157 LYS   B N   1 
ATOM   1916 C CA  A LYS   B 2 148 ? 5.046   -2.958  -20.542 0.23 69.87  ? 157 LYS   B CA  1 
ATOM   1917 C CA  B LYS   B 2 148 ? 5.046   -2.958  -20.542 0.22 69.87  ? 157 LYS   B CA  1 
ATOM   1918 C CA  C LYS   B 2 148 ? 5.186   -2.557  -20.294 0.27 70.32  ? 157 LYS   B CA  1 
ATOM   1919 C CA  D LYS   B 2 148 ? 5.186   -2.557  -20.294 0.28 70.32  ? 157 LYS   B CA  1 
ATOM   1920 C C   A LYS   B 2 148 ? 5.183   -1.806  -21.543 0.23 71.05  ? 157 LYS   B C   1 
ATOM   1921 C C   B LYS   B 2 148 ? 5.183   -1.806  -21.544 0.22 71.04  ? 157 LYS   B C   1 
ATOM   1922 C C   C LYS   B 2 148 ? 5.244   -1.512  -21.415 0.27 71.55  ? 157 LYS   B C   1 
ATOM   1923 C C   D LYS   B 2 148 ? 5.243   -1.511  -21.415 0.28 71.56  ? 157 LYS   B C   1 
ATOM   1924 O O   A LYS   B 2 148 ? 6.276   -1.202  -21.604 0.23 72.47  ? 157 LYS   B O   1 
ATOM   1925 O O   B LYS   B 2 148 ? 6.275   -1.202  -21.605 0.22 72.46  ? 157 LYS   B O   1 
ATOM   1926 O O   C LYS   B 2 148 ? 6.218   -0.727  -21.437 0.27 72.98  ? 157 LYS   B O   1 
ATOM   1927 O O   D LYS   B 2 148 ? 6.216   -0.727  -21.437 0.28 72.98  ? 157 LYS   B O   1 
ATOM   1928 C CB  A LYS   B 2 148 ? 5.496   -4.249  -21.237 0.23 70.76  ? 157 LYS   B CB  1 
ATOM   1929 C CB  B LYS   B 2 148 ? 5.496   -4.248  -21.237 0.22 70.75  ? 157 LYS   B CB  1 
ATOM   1930 C CB  C LYS   B 2 148 ? 5.854   -3.871  -20.723 0.27 71.18  ? 157 LYS   B CB  1 
ATOM   1931 C CB  D LYS   B 2 148 ? 5.854   -3.871  -20.723 0.28 71.18  ? 157 LYS   B CB  1 
ATOM   1932 C CG  A LYS   B 2 148 ? 5.797   -5.430  -20.323 0.23 70.61  ? 157 LYS   B CG  1 
ATOM   1933 C CG  B LYS   B 2 148 ? 5.797   -5.430  -20.323 0.22 70.60  ? 157 LYS   B CG  1 
ATOM   1934 C CG  C LYS   B 2 148 ? 5.245   -4.584  -21.929 0.27 71.36  ? 157 LYS   B CG  1 
ATOM   1935 C CG  D LYS   B 2 148 ? 5.245   -4.584  -21.930 0.28 71.37  ? 157 LYS   B CG  1 
ATOM   1936 C CD  A LYS   B 2 148 ? 5.840   -6.762  -21.053 0.23 70.96  ? 157 LYS   B CD  1 
ATOM   1937 C CD  B LYS   B 2 148 ? 5.840   -6.762  -21.053 0.22 70.96  ? 157 LYS   B CD  1 
ATOM   1938 C CD  C LYS   B 2 148 ? 3.983   -5.398  -21.662 0.27 70.00  ? 157 LYS   B CD  1 
ATOM   1939 C CD  D LYS   B 2 148 ? 3.983   -5.398  -21.662 0.28 70.00  ? 157 LYS   B CD  1 
ATOM   1940 C CE  A LYS   B 2 148 ? 6.942   -6.855  -22.088 0.23 72.89  ? 157 LYS   B CE  1 
ATOM   1941 C CE  B LYS   B 2 148 ? 6.942   -6.855  -22.088 0.22 72.88  ? 157 LYS   B CE  1 
ATOM   1942 C CE  C LYS   B 2 148 ? 4.143   -6.463  -20.591 0.27 69.56  ? 157 LYS   B CE  1 
ATOM   1943 C CE  D LYS   B 2 148 ? 4.143   -6.463  -20.591 0.28 69.56  ? 157 LYS   B CE  1 
ATOM   1944 N NZ  A LYS   B 2 148 ? 8.284   -6.879  -21.459 0.23 73.99  ? 157 LYS   B NZ  1 
ATOM   1945 N NZ  B LYS   B 2 148 ? 8.284   -6.878  -21.460 0.22 73.98  ? 157 LYS   B NZ  1 
ATOM   1946 N NZ  C LYS   B 2 148 ? 3.517   -6.079  -19.301 0.27 68.36  ? 157 LYS   B NZ  1 
ATOM   1947 N NZ  D LYS   B 2 148 ? 3.517   -6.078  -19.301 0.28 68.36  ? 157 LYS   B NZ  1 
ATOM   1948 N N   A ASN   B 2 149 ? 4.119   -1.540  -22.308 0.23 70.70  ? 158 ASN   B N   1 
ATOM   1949 N N   B ASN   B 2 149 ? 4.119   -1.540  -22.309 0.22 70.69  ? 158 ASN   B N   1 
ATOM   1950 N N   C ASN   B 2 149 ? 4.242   -1.507  -22.301 0.27 71.27  ? 158 ASN   B N   1 
ATOM   1951 N N   D ASN   B 2 149 ? 4.241   -1.507  -22.301 0.28 71.27  ? 158 ASN   B N   1 
ATOM   1952 C CA  A ASN   B 2 149 ? 4.085   -0.570  -23.433 0.23 71.58  ? 158 ASN   B CA  1 
ATOM   1953 C CA  B ASN   B 2 149 ? 4.087   -0.570  -23.434 0.22 71.58  ? 158 ASN   B CA  1 
ATOM   1954 C CA  C ASN   B 2 149 ? 4.110   -0.556  -23.436 0.27 72.01  ? 158 ASN   B CA  1 
ATOM   1955 C CA  D ASN   B 2 149 ? 4.112   -0.556  -23.436 0.28 72.01  ? 158 ASN   B CA  1 
ATOM   1956 C C   A ASN   B 2 149 ? 3.863   0.841   -22.873 0.23 71.24  ? 158 ASN   B C   1 
ATOM   1957 C C   B ASN   B 2 149 ? 3.863   0.841   -22.874 0.22 71.23  ? 158 ASN   B C   1 
ATOM   1958 C C   C ASN   B 2 149 ? 3.858   0.852   -22.881 0.27 71.49  ? 158 ASN   B C   1 
ATOM   1959 C C   D ASN   B 2 149 ? 3.858   0.852   -22.882 0.28 71.49  ? 158 ASN   B C   1 
ATOM   1960 O O   A ASN   B 2 149 ? 4.617   1.759   -23.260 0.23 72.84  ? 158 ASN   B O   1 
ATOM   1961 O O   B ASN   B 2 149 ? 4.616   1.759   -23.262 0.22 72.83  ? 158 ASN   B O   1 
ATOM   1962 O O   C ASN   B 2 149 ? 4.589   1.784   -23.281 0.27 73.16  ? 158 ASN   B O   1 
ATOM   1963 O O   D ASN   B 2 149 ? 4.587   1.784   -23.282 0.28 73.16  ? 158 ASN   B O   1 
ATOM   1964 C CB  A ASN   B 2 149 ? 3.009   -0.961  -24.452 0.23 71.44  ? 158 ASN   B CB  1 
ATOM   1965 C CB  B ASN   B 2 149 ? 3.014   -0.961  -24.457 0.22 71.44  ? 158 ASN   B CB  1 
ATOM   1966 C CB  C ASN   B 2 149 ? 3.004   -0.992  -24.403 0.27 71.93  ? 158 ASN   B CB  1 
ATOM   1967 C CB  D ASN   B 2 149 ? 3.010   -0.992  -24.407 0.28 71.94  ? 158 ASN   B CB  1 
ATOM   1968 C CG  A ASN   B 2 149 ? 2.711   -2.451  -24.464 0.23 70.95  ? 158 ASN   B CG  1 
ATOM   1969 C CG  B ASN   B 2 149 ? 2.712   -2.450  -24.465 0.22 70.94  ? 158 ASN   B CG  1 
ATOM   1970 C CG  C ASN   B 2 149 ? 3.021   -2.479  -24.702 0.27 72.02  ? 158 ASN   B CG  1 
ATOM   1971 C CG  D ASN   B 2 149 ? 3.025   -2.479  -24.703 0.28 72.03  ? 158 ASN   B CG  1 
ATOM   1972 O OD1 A ASN   B 2 149 ? 3.550   -3.266  -24.073 0.23 71.29  ? 158 ASN   B OD1 1 
ATOM   1973 O OD1 B ASN   B 2 149 ? 3.548   -3.267  -24.074 0.22 71.29  ? 158 ASN   B OD1 1 
ATOM   1974 O OD1 C ASN   B 2 149 ? 4.082   -3.100  -24.742 0.27 72.91  ? 158 ASN   B OD1 1 
ATOM   1975 O OD1 D ASN   B 2 149 ? 4.085   -3.101  -24.739 0.28 72.91  ? 158 ASN   B OD1 1 
ATOM   1976 N ND2 A ASN   B 2 149 ? 1.517   -2.818  -24.900 0.23 70.24  ? 158 ASN   B ND2 1 
ATOM   1977 N ND2 B ASN   B 2 149 ? 1.517   -2.815  -24.901 0.22 70.24  ? 158 ASN   B ND2 1 
ATOM   1978 N ND2 C ASN   B 2 149 ? 1.850   -3.060  -24.908 0.27 71.18  ? 158 ASN   B ND2 1 
ATOM   1979 N ND2 D ASN   B 2 149 ? 1.853   -3.059  -24.913 0.28 71.19  ? 158 ASN   B ND2 1 
ATOM   1980 N N   . GLY   B 2 150 ? 2.884   0.985   -21.974 1.00 69.62  ? 159 GLY   B N   1 
ATOM   1981 C CA  . GLY   B 2 150 ? 2.389   2.292   -21.485 1.00 68.16  ? 159 GLY   B CA  1 
ATOM   1982 C C   . GLY   B 2 150 ? 0.904   2.440   -21.783 1.00 65.91  ? 159 GLY   B C   1 
ATOM   1983 O O   . GLY   B 2 150 ? 0.264   3.421   -21.294 1.00 65.01  ? 159 GLY   B O   1 
ATOM   1984 N N   A SER   B 2 151 ? 0.363   1.513   -22.590 0.23 65.32  ? 160 SER   B N   1 
ATOM   1985 N N   B SER   B 2 151 ? 0.373   1.503   -22.591 0.22 65.28  ? 160 SER   B N   1 
ATOM   1986 N N   C SER   B 2 151 ? 0.363   1.512   -22.590 0.27 65.33  ? 160 SER   B N   1 
ATOM   1987 N N   D SER   B 2 151 ? 0.373   1.502   -22.590 0.28 65.29  ? 160 SER   B N   1 
ATOM   1988 C CA  A SER   B 2 151 ? -1.078  1.422   -22.942 0.23 63.91  ? 160 SER   B CA  1 
ATOM   1989 C CA  B SER   B 2 151 ? -1.063  1.347   -22.952 0.22 63.85  ? 160 SER   B CA  1 
ATOM   1990 C CA  C SER   B 2 151 ? -1.079  1.423   -22.941 0.27 63.92  ? 160 SER   B CA  1 
ATOM   1991 C CA  D SER   B 2 151 ? -1.063  1.347   -22.950 0.28 63.86  ? 160 SER   B CA  1 
ATOM   1992 C C   A SER   B 2 151 ? -1.871  0.860   -21.754 0.23 62.02  ? 160 SER   B C   1 
ATOM   1993 C C   B SER   B 2 151 ? -1.869  0.882   -21.731 0.22 61.97  ? 160 SER   B C   1 
ATOM   1994 C C   C SER   B 2 151 ? -1.872  0.860   -21.752 0.27 62.04  ? 160 SER   B C   1 
ATOM   1995 C C   D SER   B 2 151 ? -1.869  0.881   -21.729 0.28 61.99  ? 160 SER   B C   1 
ATOM   1996 O O   A SER   B 2 151 ? -1.244  0.301   -20.814 0.23 62.06  ? 160 SER   B O   1 
ATOM   1997 O O   B SER   B 2 151 ? -1.248  0.415   -20.740 0.22 61.95  ? 160 SER   B O   1 
ATOM   1998 O O   C SER   B 2 151 ? -1.245  0.303   -20.810 0.27 62.09  ? 160 SER   B O   1 
ATOM   1999 O O   D SER   B 2 151 ? -1.249  0.410   -20.737 0.28 61.98  ? 160 SER   B O   1 
ATOM   2000 C CB  A SER   B 2 151 ? -1.280  0.592   -24.181 0.23 64.45  ? 160 SER   B CB  1 
ATOM   2001 C CB  B SER   B 2 151 ? -1.211  0.379   -24.101 0.22 64.30  ? 160 SER   B CB  1 
ATOM   2002 C CB  C SER   B 2 151 ? -1.281  0.593   -24.180 0.27 64.47  ? 160 SER   B CB  1 
ATOM   2003 C CB  D SER   B 2 151 ? -1.215  0.380   -24.100 0.28 64.32  ? 160 SER   B CB  1 
ATOM   2004 O OG  A SER   B 2 151 ? -2.590  0.805   -24.698 0.23 63.90  ? 160 SER   B OG  1 
ATOM   2005 O OG  B SER   B 2 151 ? -0.364  -0.750  -23.906 0.22 64.57  ? 160 SER   B OG  1 
ATOM   2006 O OG  C SER   B 2 151 ? -2.590  0.807   -24.695 0.27 63.91  ? 160 SER   B OG  1 
ATOM   2007 O OG  D SER   B 2 151 ? -0.367  -0.749  -23.907 0.28 64.58  ? 160 SER   B OG  1 
ATOM   2008 N N   . TYR   B 2 152 ? -3.203  0.998   -21.806 1.00 60.53  ? 161 TYR   B N   1 
ATOM   2009 C CA  . TYR   B 2 152 ? -4.111  0.644   -20.688 1.00 57.78  ? 161 TYR   B CA  1 
ATOM   2010 C C   . TYR   B 2 152 ? -4.808  -0.705  -20.918 1.00 54.64  ? 161 TYR   B C   1 
ATOM   2011 O O   . TYR   B 2 152 ? -5.406  -0.893  -21.971 1.00 54.90  ? 161 TYR   B O   1 
ATOM   2012 C CB  . TYR   B 2 152 ? -5.083  1.805   -20.505 1.00 57.67  ? 161 TYR   B CB  1 
ATOM   2013 C CG  . TYR   B 2 152 ? -5.951  1.614   -19.303 1.00 57.34  ? 161 TYR   B CG  1 
ATOM   2014 C CD1 . TYR   B 2 152 ? -5.411  1.618   -18.027 1.00 57.11  ? 161 TYR   B CD1 1 
ATOM   2015 C CD2 . TYR   B 2 152 ? -7.299  1.357   -19.459 1.00 56.78  ? 161 TYR   B CD2 1 
ATOM   2016 C CE1 . TYR   B 2 152 ? -6.203  1.412   -16.917 1.00 56.43  ? 161 TYR   B CE1 1 
ATOM   2017 C CE2 . TYR   B 2 152 ? -8.103  1.153   -18.362 1.00 55.80  ? 161 TYR   B CE2 1 
ATOM   2018 C CZ  . TYR   B 2 152 ? -7.552  1.170   -17.093 1.00 55.73  ? 161 TYR   B CZ  1 
ATOM   2019 O OH  . TYR   B 2 152 ? -8.379  0.940   -16.050 1.00 55.22  ? 161 TYR   B OH  1 
ATOM   2020 N N   . VAL   B 2 153 ? -4.769  -1.633  -19.890 1.00 51.43  ? 162 VAL   B N   1 
ATOM   2021 C CA  . VAL   B 2 153 ? -5.596  -2.881  -19.956 1.00 48.75  ? 162 VAL   B CA  1 
ATOM   2022 C C   . VAL   B 2 153 ? -6.611  -2.792  -18.836 1.00 46.69  ? 162 VAL   B C   1 
ATOM   2023 O O   . VAL   B 2 153 ? -6.205  -2.770  -17.579 1.00 46.12  ? 162 VAL   B O   1 
ATOM   2024 C CB  . VAL   B 2 153 ? -4.778  -4.192  -19.907 1.00 49.32  ? 162 VAL   B CB  1 
ATOM   2025 C CG1 . VAL   B 2 153 ? -5.721  -5.396  -19.874 1.00 48.73  ? 162 VAL   B CG1 1 
ATOM   2026 C CG2 . VAL   B 2 153 ? -3.797  -4.281  -21.130 1.00 50.70  ? 162 VAL   B CG2 1 
ATOM   2027 N N   A SER   B 2 154 ? -7.904  -2.757  -19.214 0.23 45.86  ? 163 SER   B N   1 
ATOM   2028 N N   B SER   B 2 154 ? -7.903  -2.757  -19.215 0.22 45.86  ? 163 SER   B N   1 
ATOM   2029 N N   C SER   B 2 154 ? -7.919  -2.797  -19.186 0.27 45.86  ? 163 SER   B N   1 
ATOM   2030 N N   D SER   B 2 154 ? -7.919  -2.799  -19.186 0.28 45.86  ? 163 SER   B N   1 
ATOM   2031 C CA  A SER   B 2 154 ? -8.977  -2.661  -18.201 0.23 44.58  ? 163 SER   B CA  1 
ATOM   2032 C CA  B SER   B 2 154 ? -8.976  -2.660  -18.202 0.22 44.58  ? 163 SER   B CA  1 
ATOM   2033 C CA  C SER   B 2 154 ? -8.989  -2.697  -18.152 0.27 44.59  ? 163 SER   B CA  1 
ATOM   2034 C CA  D SER   B 2 154 ? -8.989  -2.697  -18.151 0.28 44.59  ? 163 SER   B CA  1 
ATOM   2035 C C   A SER   B 2 154 ? -9.465  -4.076  -17.707 0.23 43.87  ? 163 SER   B C   1 
ATOM   2036 C C   B SER   B 2 154 ? -9.463  -4.076  -17.709 0.22 43.87  ? 163 SER   B C   1 
ATOM   2037 C C   C SER   B 2 154 ? -9.613  -4.093  -17.757 0.27 43.86  ? 163 SER   B C   1 
ATOM   2038 C C   D SER   B 2 154 ? -9.612  -4.094  -17.755 0.28 43.86  ? 163 SER   B C   1 
ATOM   2039 O O   A SER   B 2 154 ? -9.800  -4.922  -18.527 0.23 44.15  ? 163 SER   B O   1 
ATOM   2040 O O   B SER   B 2 154 ? -9.794  -4.923  -18.531 0.22 44.16  ? 163 SER   B O   1 
ATOM   2041 O O   C SER   B 2 154 ? -9.910  -4.862  -18.641 0.27 44.27  ? 163 SER   B O   1 
ATOM   2042 O O   D SER   B 2 154 ? -9.908  -4.864  -18.638 0.28 44.27  ? 163 SER   B O   1 
ATOM   2043 C CB  A SER   B 2 154 ? -10.184 -1.827  -18.638 0.23 44.28  ? 163 SER   B CB  1 
ATOM   2044 C CB  B SER   B 2 154 ? -10.183 -1.827  -18.638 0.22 44.28  ? 163 SER   B CB  1 
ATOM   2045 C CB  C SER   B 2 154 ? -10.115 -1.694  -18.501 0.27 44.29  ? 163 SER   B CB  1 
ATOM   2046 C CB  D SER   B 2 154 ? -10.116 -1.695  -18.501 0.28 44.29  ? 163 SER   B CB  1 
ATOM   2047 O OG  A SER   B 2 154 ? -11.112 -1.654  -17.549 0.23 43.53  ? 163 SER   B OG  1 
ATOM   2048 O OG  B SER   B 2 154 ? -11.108 -1.650  -17.547 0.22 43.53  ? 163 SER   B OG  1 
ATOM   2049 O OG  C SER   B 2 154 ? -11.152 -1.728  -17.481 0.27 43.55  ? 163 SER   B OG  1 
ATOM   2050 O OG  D SER   B 2 154 ? -11.154 -1.731  -17.482 0.28 43.55  ? 163 SER   B OG  1 
ATOM   2051 N N   A ALA   B 2 155 ? -9.596  -4.328  -16.385 0.23 43.01  ? 164 ALA   B N   1 
ATOM   2052 N N   B ALA   B 2 155 ? -9.595  -4.328  -16.387 0.22 43.01  ? 164 ALA   B N   1 
ATOM   2053 N N   C ALA   B 2 155 ? -9.860  -4.398  -16.453 0.27 42.96  ? 164 ALA   B N   1 
ATOM   2054 N N   D ALA   B 2 155 ? -9.861  -4.397  -16.450 0.28 42.96  ? 164 ALA   B N   1 
ATOM   2055 C CA  A ALA   B 2 155 ? -10.360 -5.466  -15.834 0.23 42.37  ? 164 ALA   B CA  1 
ATOM   2056 C CA  B ALA   B 2 155 ? -10.359 -5.466  -15.836 0.22 42.37  ? 164 ALA   B CA  1 
ATOM   2057 C CA  C ALA   B 2 155 ? -10.659 -5.572  -15.990 0.27 42.31  ? 164 ALA   B CA  1 
ATOM   2058 C CA  D ALA   B 2 155 ? -10.659 -5.572  -15.989 0.28 42.31  ? 164 ALA   B CA  1 
ATOM   2059 C C   A ALA   B 2 155 ? -11.834 -5.365  -16.294 0.23 41.85  ? 164 ALA   B C   1 
ATOM   2060 C C   B ALA   B 2 155 ? -11.833 -5.365  -16.295 0.22 41.85  ? 164 ALA   B C   1 
ATOM   2061 C C   C ALA   B 2 155 ? -12.153 -5.452  -16.449 0.27 41.77  ? 164 ALA   B C   1 
ATOM   2062 C C   D ALA   B 2 155 ? -12.154 -5.451  -16.447 0.28 41.77  ? 164 ALA   B C   1 
ATOM   2063 O O   A ALA   B 2 155 ? -12.362 -4.213  -16.374 0.23 41.63  ? 164 ALA   B O   1 
ATOM   2064 O O   B ALA   B 2 155 ? -12.361 -4.212  -16.375 0.22 41.63  ? 164 ALA   B O   1 
ATOM   2065 O O   C ALA   B 2 155 ? -12.667 -4.290  -16.481 0.27 41.50  ? 164 ALA   B O   1 
ATOM   2066 O O   D ALA   B 2 155 ? -12.669 -4.289  -16.478 0.28 41.50  ? 164 ALA   B O   1 
ATOM   2067 C CB  A ALA   B 2 155 ? -10.351 -5.468  -14.302 0.23 41.91  ? 164 ALA   B CB  1 
ATOM   2068 C CB  B ALA   B 2 155 ? -10.350 -5.467  -14.304 0.22 41.92  ? 164 ALA   B CB  1 
ATOM   2069 C CB  C ALA   B 2 155 ? -10.644 -5.666  -14.448 0.27 41.89  ? 164 ALA   B CB  1 
ATOM   2070 C CB  D ALA   B 2 155 ? -10.644 -5.667  -14.446 0.28 41.89  ? 164 ALA   B CB  1 
ATOM   2071 N N   A ILE   B 2 156 ? -12.508 -6.547  -16.589 0.23 41.77  ? 165 ILE   B N   1 
ATOM   2072 N N   B ILE   B 2 156 ? -12.508 -6.548  -16.589 0.22 41.77  ? 165 ILE   B N   1 
ATOM   2073 N N   C ILE   B 2 156 ? -12.885 -6.656  -16.716 0.27 41.69  ? 165 ILE   B N   1 
ATOM   2074 N N   D ILE   B 2 156 ? -12.885 -6.655  -16.716 0.28 41.69  ? 165 ILE   B N   1 
ATOM   2075 C CA  A ILE   B 2 156 ? -14.020 -6.654  -16.650 0.23 41.40  ? 165 ILE   B CA  1 
ATOM   2076 C CA  B ILE   B 2 156 ? -14.020 -6.655  -16.648 0.22 41.40  ? 165 ILE   B CA  1 
ATOM   2077 C CA  C ILE   B 2 156 ? -14.397 -6.738  -16.765 0.27 41.32  ? 165 ILE   B CA  1 
ATOM   2078 C CA  D ILE   B 2 156 ? -14.397 -6.737  -16.767 0.28 41.32  ? 165 ILE   B CA  1 
ATOM   2079 C C   A ILE   B 2 156 ? -14.504 -6.670  -15.200 0.23 40.69  ? 165 ILE   B C   1 
ATOM   2080 C C   B ILE   B 2 156 ? -14.502 -6.670  -15.196 0.22 40.69  ? 165 ILE   B C   1 
ATOM   2081 C C   C ILE   B 2 156 ? -14.871 -6.699  -15.311 0.27 40.60  ? 165 ILE   B C   1 
ATOM   2082 C C   D ILE   B 2 156 ? -14.873 -6.698  -15.313 0.28 40.60  ? 165 ILE   B C   1 
ATOM   2083 O O   A ILE   B 2 156 ? -14.665 -7.797  -14.765 0.23 40.91  ? 165 ILE   B O   1 
ATOM   2084 O O   B ILE   B 2 156 ? -14.659 -7.796  -14.756 0.22 40.91  ? 165 ILE   B O   1 
ATOM   2085 O O   C ILE   B 2 156 ? -15.285 -7.795  -14.933 0.27 40.77  ? 165 ILE   B O   1 
ATOM   2086 O O   D ILE   B 2 156 ? -15.290 -7.794  -14.937 0.28 40.77  ? 165 ILE   B O   1 
ATOM   2087 C CB  A ILE   B 2 156 ? -14.632 -7.864  -17.449 0.23 41.85  ? 165 ILE   B CB  1 
ATOM   2088 C CB  B ILE   B 2 156 ? -14.632 -7.864  -17.446 0.22 41.85  ? 165 ILE   B CB  1 
ATOM   2089 C CB  C ILE   B 2 156 ? -15.015 -7.965  -17.515 0.27 41.75  ? 165 ILE   B CB  1 
ATOM   2090 C CB  D ILE   B 2 156 ? -15.015 -7.965  -17.516 0.28 41.75  ? 165 ILE   B CB  1 
ATOM   2091 C CG1 A ILE   B 2 156 ? -14.095 -7.934  -18.876 0.23 42.50  ? 165 ILE   B CG1 1 
ATOM   2092 C CG1 B ILE   B 2 156 ? -14.096 -7.934  -18.874 0.22 42.50  ? 165 ILE   B CG1 1 
ATOM   2093 C CG1 C ILE   B 2 156 ? -14.336 -8.234  -18.855 0.27 42.46  ? 165 ILE   B CG1 1 
ATOM   2094 C CG1 D ILE   B 2 156 ? -14.336 -8.233  -18.857 0.28 42.46  ? 165 ILE   B CG1 1 
ATOM   2095 C CG2 A ILE   B 2 156 ? -16.174 -7.806  -17.438 0.23 41.73  ? 165 ILE   B CG2 1 
ATOM   2096 C CG2 B ILE   B 2 156 ? -16.175 -7.806  -17.434 0.22 41.73  ? 165 ILE   B CG2 1 
ATOM   2097 C CG2 C ILE   B 2 156 ? -16.538 -7.796  -17.673 0.27 41.65  ? 165 ILE   B CG2 1 
ATOM   2098 C CG2 D ILE   B 2 156 ? -16.538 -7.795  -17.675 0.28 41.65  ? 165 ILE   B CG2 1 
ATOM   2099 C CD1 A ILE   B 2 156 ? -14.632 -9.067  -19.718 0.23 43.07  ? 165 ILE   B CD1 1 
ATOM   2100 C CD1 B ILE   B 2 156 ? -14.634 -9.068  -19.716 0.22 43.07  ? 165 ILE   B CD1 1 
ATOM   2101 C CD1 C ILE   B 2 156 ? -14.794 -9.475  -19.572 0.27 43.05  ? 165 ILE   B CD1 1 
ATOM   2102 C CD1 D ILE   B 2 156 ? -14.793 -9.475  -19.573 0.28 43.05  ? 165 ILE   B CD1 1 
ATOM   2103 N N   A THR   B 2 157 ? -14.718 -5.494  -14.513 0.23 40.12  ? 166 THR   B N   1 
ATOM   2104 N N   B THR   B 2 157 ? -14.718 -5.493  -14.511 0.22 40.12  ? 166 THR   B N   1 
ATOM   2105 N N   C THR   B 2 157 ? -14.840 -5.518  -14.573 0.27 40.06  ? 166 THR   B N   1 
ATOM   2106 N N   D THR   B 2 157 ? -14.840 -5.518  -14.574 0.28 40.06  ? 166 THR   B N   1 
ATOM   2107 C CA  A THR   B 2 157 ? -15.393 -5.369  -13.168 0.23 39.53  ? 166 THR   B CA  1 
ATOM   2108 C CA  B THR   B 2 157 ? -15.393 -5.368  -13.166 0.22 39.53  ? 166 THR   B CA  1 
ATOM   2109 C CA  C THR   B 2 157 ? -15.385 -5.329  -13.185 0.27 39.47  ? 166 THR   B CA  1 
ATOM   2110 C CA  D THR   B 2 157 ? -15.385 -5.330  -13.186 0.28 39.47  ? 166 THR   B CA  1 
ATOM   2111 C C   A THR   B 2 157 ? -16.937 -5.652  -13.308 0.23 39.59  ? 166 THR   B C   1 
ATOM   2112 C C   B THR   B 2 157 ? -16.937 -5.652  -13.306 0.22 39.59  ? 166 THR   B C   1 
ATOM   2113 C C   C THR   B 2 157 ? -16.926 -5.569  -13.260 0.27 39.52  ? 166 THR   B C   1 
ATOM   2114 C C   D THR   B 2 157 ? -16.925 -5.569  -13.261 0.28 39.52  ? 166 THR   B C   1 
ATOM   2115 O O   A THR   B 2 157 ? -17.631 -4.800  -13.882 0.23 39.44  ? 166 THR   B O   1 
ATOM   2116 O O   B THR   B 2 157 ? -17.630 -4.800  -13.881 0.22 39.44  ? 166 THR   B O   1 
ATOM   2117 O O   C THR   B 2 157 ? -17.636 -4.733  -13.803 0.27 39.36  ? 166 THR   B O   1 
ATOM   2118 O O   D THR   B 2 157 ? -17.636 -4.734  -13.805 0.28 39.36  ? 166 THR   B O   1 
ATOM   2119 C CB  A THR   B 2 157 ? -15.052 -4.070  -12.437 0.23 39.07  ? 166 THR   B CB  1 
ATOM   2120 C CB  B THR   B 2 157 ? -15.052 -4.070  -12.434 0.22 39.07  ? 166 THR   B CB  1 
ATOM   2121 C CB  C THR   B 2 157 ? -14.969 -4.002  -12.534 0.27 39.03  ? 166 THR   B CB  1 
ATOM   2122 C CB  D THR   B 2 157 ? -14.969 -4.003  -12.535 0.28 39.03  ? 166 THR   B CB  1 
ATOM   2123 O OG1 A THR   B 2 157 ? -13.631 -3.932  -12.634 0.23 39.28  ? 166 THR   B OG1 1 
ATOM   2124 O OG1 B THR   B 2 157 ? -13.631 -3.929  -12.625 0.22 39.28  ? 166 THR   B OG1 1 
ATOM   2125 O OG1 C THR   B 2 157 ? -13.530 -3.939  -12.756 0.27 39.28  ? 166 THR   B OG1 1 
ATOM   2126 O OG1 D THR   B 2 157 ? -13.530 -3.940  -12.757 0.28 39.28  ? 166 THR   B OG1 1 
ATOM   2127 C CG2 A THR   B 2 157 ? -15.702 -4.195  -10.988 0.23 38.65  ? 166 THR   B CG2 1 
ATOM   2128 C CG2 B THR   B 2 157 ? -15.701 -4.194  -10.986 0.22 38.65  ? 166 THR   B CG2 1 
ATOM   2129 C CG2 C THR   B 2 157 ? -15.601 -3.909  -11.065 0.27 38.57  ? 166 THR   B CG2 1 
ATOM   2130 C CG2 D THR   B 2 157 ? -15.603 -3.909  -11.066 0.28 38.57  ? 166 THR   B CG2 1 
ATOM   2131 N N   . GLN   B 2 158 ? -17.414 -6.819  -12.631 1.00 39.78  ? 167 GLN   B N   1 
ATOM   2132 C CA  . GLN   B 2 158 ? -18.863 -7.191  -12.476 1.00 40.17  ? 167 GLN   B CA  1 
ATOM   2133 C C   . GLN   B 2 158 ? -19.164 -7.287  -10.965 1.00 41.06  ? 167 GLN   B C   1 
ATOM   2134 O O   . GLN   B 2 158 ? -18.280 -7.742  -10.188 1.00 40.28  ? 167 GLN   B O   1 
ATOM   2135 C CB  . GLN   B 2 158 ? -19.184 -8.522  -13.132 1.00 40.66  ? 167 GLN   B CB  1 
ATOM   2136 C CG  . GLN   B 2 158 ? -20.661 -8.920  -13.231 1.00 40.84  ? 167 GLN   B CG  1 
ATOM   2137 C CD  . GLN   B 2 158 ? -21.601 -7.780  -13.795 1.00 40.57  ? 167 GLN   B CD  1 
ATOM   2138 O OE1 . GLN   B 2 158 ? -21.611 -6.625  -13.298 1.00 39.84  ? 167 GLN   B OE1 1 
ATOM   2139 N NE2 . GLN   B 2 158 ? -22.360 -8.087  -14.859 1.00 40.98  ? 167 GLN   B NE2 1 
ATOM   2140 N N   . GLY   B 2 159 ? -20.364 -6.918  -10.583 1.00 42.43  ? 168 GLY   B N   1 
ATOM   2141 C CA  . GLY   B 2 159 ? -20.743 -7.052  -9.166  1.00 44.55  ? 168 GLY   B CA  1 
ATOM   2142 C C   . GLY   B 2 159 ? -21.501 -8.342  -8.934  1.00 47.32  ? 168 GLY   B C   1 
ATOM   2143 O O   . GLY   B 2 159 ? -21.476 -9.273  -9.739  1.00 48.67  ? 168 GLY   B O   1 
ATOM   2144 N N   . LYS   B 2 160 ? -22.150 -8.427  -7.789  1.00 51.52  ? 169 LYS   B N   1 
ATOM   2145 C CA  . LYS   B 2 160 ? -22.983 -9.598  -7.431  1.00 55.32  ? 169 LYS   B CA  1 
ATOM   2146 C C   . LYS   B 2 160 ? -24.438 -9.134  -7.315  1.00 58.32  ? 169 LYS   B C   1 
ATOM   2147 O O   . LYS   B 2 160 ? -24.675 -8.052  -6.716  1.00 58.50  ? 169 LYS   B O   1 
ATOM   2148 C CB  . LYS   B 2 160 ? -22.491 -10.188 -6.112  1.00 57.48  ? 169 LYS   B CB  1 
ATOM   2149 C CG  . LYS   B 2 160 ? -22.597 -11.699 -6.029  1.00 59.11  ? 169 LYS   B CG  1 
ATOM   2150 C CD  . LYS   B 2 160 ? -22.461 -12.204 -4.612  1.00 59.76  ? 169 LYS   B CD  1 
ATOM   2151 C CE  . LYS   B 2 160 ? -23.320 -13.423 -4.363  1.00 61.31  ? 169 LYS   B CE  1 
ATOM   2152 N NZ  . LYS   B 2 160 ? -23.559 -13.620 -2.916  1.00 62.06  ? 169 LYS   B NZ  1 
ATOM   2153 N N   . ARG   B 2 161 ? -25.369 -9.928  -7.856  1.00 62.16  ? 170 ARG   B N   1 
ATOM   2154 C CA  . ARG   B 2 161 ? -26.836 -9.756  -7.669  1.00 65.50  ? 170 ARG   B CA  1 
ATOM   2155 C C   . ARG   B 2 161 ? -27.269 -10.719 -6.551  1.00 69.00  ? 170 ARG   B C   1 
ATOM   2156 O O   . ARG   B 2 161 ? -26.875 -11.903 -6.603  1.00 68.77  ? 170 ARG   B O   1 
ATOM   2157 C CB  . ARG   B 2 161 ? -27.557 -9.987  -9.008  1.00 66.22  ? 170 ARG   B CB  1 
ATOM   2158 C CG  . ARG   B 2 161 ? -28.982 -9.452  -9.074  1.00 66.91  ? 170 ARG   B CG  1 
ATOM   2159 C CD  . ARG   B 2 161 ? -29.755 -9.988  -10.274 1.00 68.99  ? 170 ARG   B CD  1 
ATOM   2160 N NE  . ARG   B 2 161 ? -31.168 -9.624  -10.196 1.00 70.39  ? 170 ARG   B NE  1 
ATOM   2161 C CZ  . ARG   B 2 161 ? -31.794 -8.719  -10.955 1.00 70.16  ? 170 ARG   B CZ  1 
ATOM   2162 N NH1 . ARG   B 2 161 ? -31.154 -8.052  -11.903 1.00 68.71  ? 170 ARG   B NH1 1 
ATOM   2163 N NH2 . ARG   B 2 161 ? -33.080 -8.484  -10.753 1.00 71.39  ? 170 ARG   B NH2 1 
ATOM   2164 N N   . GLU   B 2 162 ? -28.004 -10.230 -5.546  1.00 73.57  ? 171 GLU   B N   1 
ATOM   2165 C CA  . GLU   B 2 162 ? -28.488 -11.055 -4.403  1.00 77.50  ? 171 GLU   B CA  1 
ATOM   2166 C C   . GLU   B 2 162 ? -29.957 -11.433 -4.646  1.00 79.27  ? 171 GLU   B C   1 
ATOM   2167 O O   . GLU   B 2 162 ? -30.294 -12.653 -4.727  1.00 80.84  ? 171 GLU   B O   1 
ATOM   2168 C CB  . GLU   B 2 162 ? -28.329 -10.301 -3.082  1.00 80.13  ? 171 GLU   B CB  1 
ATOM   2169 C CG  . GLU   B 2 162 ? -27.011 -9.542  -2.934  1.00 81.47  ? 171 GLU   B CG  1 
ATOM   2170 C CD  . GLU   B 2 162 ? -25.846 -10.325 -2.336  1.00 84.37  ? 171 GLU   B CD  1 
ATOM   2171 O OE1 . GLU   B 2 162 ? -25.269 -9.842  -1.335  1.00 85.67  ? 171 GLU   B OE1 1 
ATOM   2172 O OE2 . GLU   B 2 162 ? -25.516 -11.415 -2.869  1.00 87.47  ? 171 GLU   B OE2 1 
HETATM 2173 S S   A DMS   C 3 .   ? -8.150  5.432   -18.448 0.23 95.06  ? 201 DMS   B S   1 
HETATM 2174 S S   B DMS   C 3 .   ? -8.149  5.431   -18.447 0.22 95.04  ? 201 DMS   B S   1 
HETATM 2175 O O   A DMS   C 3 .   ? -6.870  4.751   -18.853 0.23 96.26  ? 201 DMS   B O   1 
HETATM 2176 O O   B DMS   C 3 .   ? -6.870  4.749   -18.852 0.22 96.24  ? 201 DMS   B O   1 
HETATM 2177 C C1  A DMS   C 3 .   ? -8.328  5.148   -16.704 0.23 94.15  ? 201 DMS   B C1  1 
HETATM 2178 C C1  B DMS   C 3 .   ? -8.328  5.148   -16.704 0.22 94.14  ? 201 DMS   B C1  1 
HETATM 2179 C C2  A DMS   C 3 .   ? -9.463  4.375   -19.001 0.23 93.90  ? 201 DMS   B C2  1 
HETATM 2180 C C2  B DMS   C 3 .   ? -9.463  4.375   -19.001 0.22 93.89  ? 201 DMS   B C2  1 
HETATM 2181 S S   A DMS   D 3 .   ? -18.290 11.544  -0.484  0.50 176.98 ? 202 DMS   B S   1 
HETATM 2182 S S   B DMS   D 3 .   ? -18.286 11.544  -0.479  0.22 174.88 ? 202 DMS   B S   1 
HETATM 2183 O O   A DMS   D 3 .   ? -18.959 10.226  -0.758  0.50 174.26 ? 202 DMS   B O   1 
HETATM 2184 O O   B DMS   D 3 .   ? -18.962 10.230  -0.752  0.22 172.59 ? 202 DMS   B O   1 
HETATM 2185 C C1  A DMS   D 3 .   ? -19.498 12.790  -0.853  0.50 177.07 ? 202 DMS   B C1  1 
HETATM 2186 C C1  B DMS   D 3 .   ? -19.486 12.796  -0.843  0.22 175.51 ? 202 DMS   B C1  1 
HETATM 2187 C C2  A DMS   D 3 .   ? -17.210 11.848  -1.857  0.50 172.50 ? 202 DMS   B C2  1 
HETATM 2188 C C2  B DMS   D 3 .   ? -17.209 11.845  -1.854  0.22 171.42 ? 202 DMS   B C2  1 
HETATM 2189 S S   A DMS   E 3 .   ? -5.798  3.798   -13.794 0.23 59.84  ? 203 DMS   B S   1 
HETATM 2190 S S   B DMS   E 3 .   ? -5.798  3.799   -13.796 0.22 59.84  ? 203 DMS   B S   1 
HETATM 2191 O O   A DMS   E 3 .   ? -5.396  2.438   -13.302 0.23 59.53  ? 203 DMS   B O   1 
HETATM 2192 O O   B DMS   E 3 .   ? -5.395  2.438   -13.307 0.22 59.54  ? 203 DMS   B O   1 
HETATM 2193 C C1  A DMS   E 3 .   ? -7.415  4.094   -13.118 0.23 59.06  ? 203 DMS   B C1  1 
HETATM 2194 C C1  B DMS   E 3 .   ? -7.414  4.094   -13.118 0.22 59.05  ? 203 DMS   B C1  1 
HETATM 2195 C C2  A DMS   E 3 .   ? -4.897  4.964   -12.804 0.23 60.60  ? 203 DMS   B C2  1 
HETATM 2196 C C2  B DMS   E 3 .   ? -4.897  4.964   -12.805 0.22 60.60  ? 203 DMS   B C2  1 
HETATM 2197 N N1  C A1BG5 F 4 .   ? -8.732  5.009   -10.316 0.27 37.00  ? 204 A1BG5 B N1  1 
HETATM 2198 N N1  D A1BG5 F 4 .   ? -8.732  5.010   -10.316 0.28 37.00  ? 204 A1BG5 B N1  1 
HETATM 2199 N N3  C A1BG5 F 4 .   ? -6.793  5.247   -19.287 0.27 41.27  ? 204 A1BG5 B N3  1 
HETATM 2200 N N3  D A1BG5 F 4 .   ? -6.793  5.246   -19.287 0.28 41.27  ? 204 A1BG5 B N3  1 
HETATM 2201 C C4  C A1BG5 F 4 .   ? -8.581  6.299   -10.769 0.27 37.52  ? 204 A1BG5 B C4  1 
HETATM 2202 C C4  D A1BG5 F 4 .   ? -8.581  6.299   -10.769 0.28 37.52  ? 204 A1BG5 B C4  1 
HETATM 2203 C C5  C A1BG5 F 4 .   ? -8.522  6.532   -12.085 0.27 37.94  ? 204 A1BG5 B C5  1 
HETATM 2204 C C5  D A1BG5 F 4 .   ? -8.522  6.532   -12.085 0.28 37.94  ? 204 A1BG5 B C5  1 
HETATM 2205 C C6  C A1BG5 F 4 .   ? -8.610  5.476   -13.004 0.27 37.83  ? 204 A1BG5 B C6  1 
HETATM 2206 C C6  D A1BG5 F 4 .   ? -8.610  5.476   -13.004 0.28 37.83  ? 204 A1BG5 B C6  1 
HETATM 2207 C C7  C A1BG5 F 4 .   ? -8.546  5.739   -14.480 0.27 38.40  ? 204 A1BG5 B C7  1 
HETATM 2208 C C7  D A1BG5 F 4 .   ? -8.547  5.738   -14.480 0.28 38.40  ? 204 A1BG5 B C7  1 
HETATM 2209 C C8  C A1BG5 F 4 .   ? -7.426  5.031   -16.586 0.27 39.60  ? 204 A1BG5 B C8  1 
HETATM 2210 C C8  D A1BG5 F 4 .   ? -7.427  5.031   -16.586 0.28 39.60  ? 204 A1BG5 B C8  1 
HETATM 2211 C C10 C A1BG5 F 4 .   ? -5.940  5.633   -18.333 0.27 41.48  ? 204 A1BG5 B C10 1 
HETATM 2212 C C10 D A1BG5 F 4 .   ? -5.940  5.633   -18.333 0.28 41.48  ? 204 A1BG5 B C10 1 
HETATM 2213 C C13 C A1BG5 F 4 .   ? -9.681  4.053   -17.200 0.27 38.42  ? 204 A1BG5 B C13 1 
HETATM 2214 C C13 D A1BG5 F 4 .   ? -9.681  4.053   -17.200 0.28 38.42  ? 204 A1BG5 B C13 1 
HETATM 2215 C C15 C A1BG5 F 4 .   ? -8.818  3.929   -11.185 0.27 36.88  ? 204 A1BG5 B C15 1 
HETATM 2216 C C15 D A1BG5 F 4 .   ? -8.819  3.929   -11.185 0.28 36.88  ? 204 A1BG5 B C15 1 
HETATM 2217 C C1  C A1BG5 F 4 .   ? -9.098  2.068   -8.129  0.27 35.96  ? 204 A1BG5 B C1  1 
HETATM 2218 C C1  D A1BG5 F 4 .   ? -9.099  2.068   -8.129  0.28 35.96  ? 204 A1BG5 B C1  1 
HETATM 2219 C C2  C A1BG5 F 4 .   ? -8.959  3.140   -9.158  0.27 36.30  ? 204 A1BG5 B C2  1 
HETATM 2220 C C2  D A1BG5 F 4 .   ? -8.959  3.140   -9.158  0.28 36.30  ? 204 A1BG5 B C2  1 
HETATM 2221 C C3  C A1BG5 F 4 .   ? -8.818  4.491   -9.036  0.27 36.62  ? 204 A1BG5 B C3  1 
HETATM 2222 C C3  D A1BG5 F 4 .   ? -8.818  4.491   -9.036  0.28 36.62  ? 204 A1BG5 B C3  1 
HETATM 2223 O O1  C A1BG5 F 4 .   ? -9.194  6.651   -14.978 0.27 38.53  ? 204 A1BG5 B O1  1 
HETATM 2224 O O1  D A1BG5 F 4 .   ? -9.194  6.650   -14.978 0.28 38.53  ? 204 A1BG5 B O1  1 
HETATM 2225 N N2  C A1BG5 F 4 .   ? -7.765  4.910   -15.207 0.27 38.84  ? 204 A1BG5 B N2  1 
HETATM 2226 N N2  D A1BG5 F 4 .   ? -7.765  4.909   -15.207 0.28 38.84  ? 204 A1BG5 B N2  1 
HETATM 2227 C C9  C A1BG5 F 4 .   ? -6.201  5.542   -16.989 0.27 40.68  ? 204 A1BG5 B C9  1 
HETATM 2228 C C9  D A1BG5 F 4 .   ? -6.202  5.541   -16.989 0.28 40.68  ? 204 A1BG5 B C9  1 
HETATM 2229 C C11 C A1BG5 F 4 .   ? -7.979  4.752   -18.898 0.27 40.23  ? 204 A1BG5 B C11 1 
HETATM 2230 C C11 D A1BG5 F 4 .   ? -7.979  4.752   -18.898 0.28 40.23  ? 204 A1BG5 B C11 1 
HETATM 2231 C C12 C A1BG5 F 4 .   ? -8.337  4.622   -17.563 0.27 39.39  ? 204 A1BG5 B C12 1 
HETATM 2232 C C12 D A1BG5 F 4 .   ? -8.337  4.622   -17.563 0.28 39.39  ? 204 A1BG5 B C12 1 
HETATM 2233 C C14 C A1BG5 F 4 .   ? -8.763  4.173   -12.567 0.27 37.30  ? 204 A1BG5 B C14 1 
HETATM 2234 C C14 D A1BG5 F 4 .   ? -8.763  4.173   -12.566 0.28 37.30  ? 204 A1BG5 B C14 1 
HETATM 2235 N N4  C A1BG5 F 4 .   ? -8.961  2.792   -10.499 0.27 36.46  ? 204 A1BG5 B N4  1 
HETATM 2236 N N4  D A1BG5 F 4 .   ? -8.961  2.792   -10.499 0.28 36.46  ? 204 A1BG5 B N4  1 
HETATM 2237 S S   C SO4   G 5 .   ? -18.892 11.607  -0.301  0.50 100.76 ? 205 SO4   B S   1 
HETATM 2238 S S   D SO4   G 5 .   ? -18.892 11.607  -0.301  0.50 100.76 ? 205 SO4   B S   1 
HETATM 2239 O O1  C SO4   G 5 .   ? -17.859 11.867  -1.292  0.50 100.20 ? 205 SO4   B O1  1 
HETATM 2240 O O1  D SO4   G 5 .   ? -17.859 11.867  -1.292  0.50 100.20 ? 205 SO4   B O1  1 
HETATM 2241 O O2  C SO4   G 5 .   ? -18.418 12.008  1.013   0.50 102.96 ? 205 SO4   B O2  1 
HETATM 2242 O O2  D SO4   G 5 .   ? -18.418 12.008  1.013   0.50 102.96 ? 205 SO4   B O2  1 
HETATM 2243 O O3  C SO4   G 5 .   ? -20.075 12.364  -0.634  0.50 101.69 ? 205 SO4   B O3  1 
HETATM 2244 O O3  D SO4   G 5 .   ? -20.075 12.364  -0.634  0.50 101.69 ? 205 SO4   B O3  1 
HETATM 2245 O O4  C SO4   G 5 .   ? -19.213 10.196  -0.307  0.50 99.83  ? 205 SO4   B O4  1 
HETATM 2246 O O4  D SO4   G 5 .   ? -19.213 10.196  -0.307  0.50 99.83  ? 205 SO4   B O4  1 
HETATM 2247 S S   C DMS   H 3 .   ? -7.206  11.413  -19.713 0.27 68.79  ? 206 DMS   B S   1 
HETATM 2248 S S   D DMS   H 3 .   ? -7.205  11.413  -19.712 0.28 68.79  ? 206 DMS   B S   1 
HETATM 2249 O O   C DMS   H 3 .   ? -6.707  10.169  -19.026 0.27 67.82  ? 206 DMS   B O   1 
HETATM 2250 O O   D DMS   H 3 .   ? -6.706  10.170  -19.023 0.28 67.82  ? 206 DMS   B O   1 
HETATM 2251 C C1  C DMS   H 3 .   ? -5.762  12.357  -20.168 0.27 70.59  ? 206 DMS   B C1  1 
HETATM 2252 C C1  D DMS   H 3 .   ? -5.762  12.357  -20.168 0.28 70.60  ? 206 DMS   B C1  1 
HETATM 2253 C C2  C DMS   H 3 .   ? -7.797  12.473  -18.421 0.27 68.01  ? 206 DMS   B C2  1 
HETATM 2254 C C2  D DMS   H 3 .   ? -7.798  12.473  -18.421 0.28 68.00  ? 206 DMS   B C2  1 
HETATM 2255 S S   C DMS   I 3 .   ? -22.634 -14.934 -25.519 0.27 58.37  ? 207 DMS   B S   1 
HETATM 2256 S S   D DMS   I 3 .   ? -22.634 -14.936 -25.518 0.28 58.39  ? 207 DMS   B S   1 
HETATM 2257 O O   C DMS   I 3 .   ? -21.844 -13.685 -25.828 0.27 57.75  ? 207 DMS   B O   1 
HETATM 2258 O O   D DMS   I 3 .   ? -21.844 -13.686 -25.828 0.28 57.76  ? 207 DMS   B O   1 
HETATM 2259 C C1  C DMS   I 3 .   ? -24.315 -14.384 -25.326 0.27 58.26  ? 207 DMS   B C1  1 
HETATM 2260 C C1  D DMS   I 3 .   ? -24.316 -14.384 -25.326 0.28 58.27  ? 207 DMS   B C1  1 
HETATM 2261 C C2  C DMS   I 3 .   ? -22.272 -15.239 -23.779 0.27 57.51  ? 207 DMS   B C2  1 
HETATM 2262 C C2  D DMS   I 3 .   ? -22.272 -15.238 -23.778 0.28 57.53  ? 207 DMS   B C2  1 
HETATM 2263 S S   C SO4   J 5 .   ? -22.269 15.740  -23.779 0.50 140.01 ? 208 SO4   B S   1 
HETATM 2264 S S   D SO4   J 5 .   ? -22.269 15.740  -23.779 0.50 140.01 ? 208 SO4   B S   1 
HETATM 2265 O O1  C SO4   J 5 .   ? -21.331 14.948  -24.535 0.50 139.47 ? 208 SO4   B O1  1 
HETATM 2266 O O1  D SO4   J 5 .   ? -21.331 14.948  -24.535 0.50 139.47 ? 208 SO4   B O1  1 
HETATM 2267 O O2  C SO4   J 5 .   ? -22.686 16.870  -24.581 0.50 140.59 ? 208 SO4   B O2  1 
HETATM 2268 O O2  D SO4   J 5 .   ? -22.686 16.870  -24.581 0.50 140.59 ? 208 SO4   B O2  1 
HETATM 2269 O O3  C SO4   J 5 .   ? -23.425 14.929  -23.440 0.50 137.40 ? 208 SO4   B O3  1 
HETATM 2270 O O3  D SO4   J 5 .   ? -23.425 14.929  -23.440 0.50 137.40 ? 208 SO4   B O3  1 
HETATM 2271 O O4  C SO4   J 5 .   ? -21.628 16.210  -22.595 0.50 137.89 ? 208 SO4   B O4  1 
HETATM 2272 O O4  D SO4   J 5 .   ? -21.628 16.210  -22.595 0.50 137.89 ? 208 SO4   B O4  1 
HETATM 2273 O O   A HOH   K 6 .   ? -28.137 -6.111  -28.203 0.23 37.92  ? 101 HOH   A O   1 
HETATM 2274 O O   B HOH   K 6 .   ? -28.135 -6.121  -28.137 0.22 37.96  ? 101 HOH   A O   1 
HETATM 2275 O O   . HOH   K 6 .   ? -2.287  -3.888  -6.358  1.00 57.26  ? 102 HOH   A O   1 
HETATM 2276 O O   . HOH   K 6 .   ? -23.714 19.128  -19.543 1.00 53.23  ? 103 HOH   A O   1 
HETATM 2277 O O   . HOH   K 6 .   ? -23.996 9.275   -27.448 1.00 40.92  ? 104 HOH   A O   1 
HETATM 2278 O O   A HOH   K 6 .   ? -8.048  1.663   1.145   0.50 59.32  ? 105 HOH   A O   1 
HETATM 2279 O O   B HOH   K 6 .   ? -8.048  1.663   1.145   0.50 59.32  ? 105 HOH   A O   1 
HETATM 2280 O O   C HOH   K 6 .   ? -25.901 15.764  -6.332  0.50 67.10  ? 106 HOH   A O   1 
HETATM 2281 O O   D HOH   K 6 .   ? -25.901 15.764  -6.332  0.50 67.10  ? 106 HOH   A O   1 
HETATM 2282 O O   C HOH   K 6 .   ? -25.228 12.372  -23.841 0.50 54.48  ? 107 HOH   A O   1 
HETATM 2283 O O   D HOH   K 6 .   ? -25.228 12.372  -23.841 0.50 54.48  ? 107 HOH   A O   1 
HETATM 2284 O O   . HOH   K 6 .   ? -26.196 -3.505  -35.183 1.00 59.93  ? 108 HOH   A O   1 
HETATM 2285 O O   . HOH   K 6 .   ? -29.069 15.616  -14.935 1.00 59.14  ? 109 HOH   A O   1 
HETATM 2286 O O   A HOH   K 6 .   ? -31.959 -0.314  -28.997 0.23 22.77  ? 110 HOH   A O   1 
HETATM 2287 O O   B HOH   K 6 .   ? -30.703 0.398   -29.222 0.22 21.63  ? 110 HOH   A O   1 
HETATM 2288 O O   . HOH   K 6 .   ? -3.581  -3.501  0.154   1.00 61.79  ? 111 HOH   A O   1 
HETATM 2289 O O   . HOH   K 6 .   ? -4.332  -14.688 -25.376 1.00 45.30  ? 112 HOH   A O   1 
HETATM 2290 O O   A HOH   K 6 .   ? -5.572  2.532   -9.892  0.23 36.47  ? 113 HOH   A O   1 
HETATM 2291 O O   B HOH   K 6 .   ? -5.576  2.537   -9.894  0.22 36.50  ? 113 HOH   A O   1 
HETATM 2292 O O   . HOH   K 6 .   ? -8.155  -1.774  6.529   1.00 65.28  ? 114 HOH   A O   1 
HETATM 2293 O O   . HOH   K 6 .   ? -2.819  -11.730 -6.936  1.00 43.30  ? 115 HOH   A O   1 
HETATM 2294 O O   . HOH   K 6 .   ? -4.537  -10.155 -5.606  1.00 52.49  ? 116 HOH   A O   1 
HETATM 2295 O O   . HOH   K 6 .   ? -31.071 0.235   -23.201 1.00 49.50  ? 117 HOH   A O   1 
HETATM 2296 O O   A HOH   K 6 .   ? -23.592 -9.379  -34.712 0.50 73.04  ? 118 HOH   A O   1 
HETATM 2297 O O   B HOH   K 6 .   ? -23.592 -9.379  -34.712 0.50 73.04  ? 118 HOH   A O   1 
HETATM 2298 O O   A HOH   K 6 .   ? 4.080   -7.354  -18.924 0.50 78.57  ? 119 HOH   A O   1 
HETATM 2299 O O   B HOH   K 6 .   ? 4.080   -7.354  -18.924 0.50 78.57  ? 119 HOH   A O   1 
HETATM 2300 O O   . HOH   K 6 .   ? -3.850  -0.963  -0.291  1.00 58.32  ? 120 HOH   A O   1 
HETATM 2301 O O   . HOH   K 6 .   ? -2.600  -9.256  -3.381  1.00 59.84  ? 121 HOH   A O   1 
HETATM 2302 O O   A HOH   K 6 .   ? -10.690 4.178   -5.429  0.23 39.51  ? 122 HOH   A O   1 
HETATM 2303 O O   B HOH   K 6 .   ? -11.612 4.906   -5.767  0.22 23.87  ? 122 HOH   A O   1 
HETATM 2304 O O   A HOH   L 6 .   ? -34.243 5.358   -12.556 0.50 94.55  ? 301 HOH   B O   1 
HETATM 2305 O O   B HOH   L 6 .   ? -34.243 5.358   -12.556 0.50 94.55  ? 301 HOH   B O   1 
HETATM 2306 O O   . HOH   L 6 .   ? -16.878 25.491  -12.988 1.00 58.66  ? 302 HOH   B O   1 
HETATM 2307 O O   . HOH   L 6 .   ? -30.735 12.757  -19.373 1.00 59.12  ? 303 HOH   B O   1 
HETATM 2308 O O   C HOH   L 6 .   ? -39.202 6.711   -13.217 0.50 63.19  ? 304 HOH   B O   1 
HETATM 2309 O O   D HOH   L 6 .   ? -39.202 6.711   -13.217 0.50 63.19  ? 304 HOH   B O   1 
HETATM 2310 O O   . HOH   L 6 .   ? -13.164 -2.527  -14.850 1.00 38.93  ? 305 HOH   B O   1 
HETATM 2311 O O   . HOH   L 6 .   ? -33.827 1.677   -15.419 1.00 51.60  ? 306 HOH   B O   1 
HETATM 2312 O O   C HOH   L 6 .   ? -6.686  -0.850  -10.942 0.27 30.95  ? 307 HOH   B O   1 
HETATM 2313 O O   D HOH   L 6 .   ? -6.686  -0.849  -10.940 0.28 30.90  ? 307 HOH   B O   1 
HETATM 2314 O O   A HOH   L 6 .   ? -18.586 -20.026 -20.533 0.50 63.76  ? 308 HOH   B O   1 
HETATM 2315 O O   B HOH   L 6 .   ? -18.586 -20.026 -20.533 0.50 63.76  ? 308 HOH   B O   1 
HETATM 2316 O O   . HOH   L 6 .   ? -17.285 12.831  -5.305  1.00 56.45  ? 309 HOH   B O   1 
HETATM 2317 O O   A HOH   L 6 .   ? -23.704 -6.825  -4.778  0.50 64.23  ? 310 HOH   B O   1 
HETATM 2318 O O   B HOH   L 6 .   ? -23.704 -6.825  -4.778  0.50 64.23  ? 310 HOH   B O   1 
HETATM 2319 O O   A HOH   L 6 .   ? -9.704  -6.896  -25.595 0.23 36.65  ? 311 HOH   B O   1 
HETATM 2320 O O   B HOH   L 6 .   ? -9.703  -6.896  -25.595 0.22 36.69  ? 311 HOH   B O   1 
HETATM 2321 O O   . HOH   L 6 .   ? -26.125 -8.034  -16.704 1.00 44.81  ? 312 HOH   B O   1 
HETATM 2322 O O   A HOH   L 6 .   ? -15.906 -9.971  -15.127 0.23 33.49  ? 313 HOH   B O   1 
HETATM 2323 O O   B HOH   L 6 .   ? -15.905 -9.973  -15.128 0.22 33.46  ? 313 HOH   B O   1 
HETATM 2324 O O   A HOH   L 6 .   ? -28.769 -4.463  -22.130 0.50 59.91  ? 314 HOH   B O   1 
HETATM 2325 O O   B HOH   L 6 .   ? -28.769 -4.463  -22.130 0.50 59.91  ? 314 HOH   B O   1 
HETATM 2326 O O   . HOH   L 6 .   ? -16.481 20.838  -14.313 1.00 54.13  ? 315 HOH   B O   1 
HETATM 2327 O O   . HOH   L 6 .   ? -19.773 -12.187 -25.531 1.00 54.08  ? 316 HOH   B O   1 
HETATM 2328 O O   C HOH   L 6 .   ? -7.049  1.683   -13.967 0.27 29.22  ? 317 HOH   B O   1 
HETATM 2329 O O   D HOH   L 6 .   ? -7.050  1.685   -13.968 0.28 29.24  ? 317 HOH   B O   1 
HETATM 2330 O O   . HOH   L 6 .   ? -35.443 -5.115  -10.380 1.00 49.10  ? 318 HOH   B O   1 
HETATM 2331 O O   . HOH   L 6 .   ? -12.409 2.180   -5.668  1.00 43.90  ? 319 HOH   B O   1 
HETATM 2332 O O   C HOH   L 6 .   ? -5.425  8.642   -17.333 0.27 41.29  ? 320 HOH   B O   1 
HETATM 2333 O O   D HOH   L 6 .   ? -5.426  8.641   -17.332 0.28 41.31  ? 320 HOH   B O   1 
HETATM 2334 O O   . HOH   L 6 .   ? -16.287 -14.843 -16.738 1.00 48.47  ? 321 HOH   B O   1 
HETATM 2335 O O   A HOH   L 6 .   ? -11.636 -17.582 -27.688 0.50 66.49  ? 322 HOH   B O   1 
HETATM 2336 O O   B HOH   L 6 .   ? -11.636 -17.582 -27.688 0.50 66.49  ? 322 HOH   B O   1 
HETATM 2337 O O   C HOH   L 6 .   ? -21.194 14.338  -33.355 0.50 69.06  ? 323 HOH   B O   1 
HETATM 2338 O O   D HOH   L 6 .   ? -21.194 14.338  -33.355 0.50 69.06  ? 323 HOH   B O   1 
HETATM 2339 O O   A HOH   L 6 .   ? -31.585 6.978   -4.594  0.50 60.77  ? 324 HOH   B O   1 
HETATM 2340 O O   B HOH   L 6 .   ? -31.585 6.978   -4.594  0.50 60.77  ? 324 HOH   B O   1 
HETATM 2341 O O   A HOH   L 6 .   ? -27.522 -7.100  -5.538  0.50 55.01  ? 325 HOH   B O   1 
HETATM 2342 O O   B HOH   L 6 .   ? -27.522 -7.100  -5.538  0.50 55.01  ? 325 HOH   B O   1 
HETATM 2343 O O   . HOH   L 6 .   ? -7.052  -10.837 -5.321  1.00 49.71  ? 326 HOH   B O   1 
HETATM 2344 O O   . HOH   L 6 .   ? -19.249 -5.534  -0.869  1.00 42.56  ? 327 HOH   B O   1 
HETATM 2345 O O   . HOH   L 6 .   ? -17.986 -10.815 -16.600 1.00 39.30  ? 328 HOH   B O   1 
HETATM 2346 O O   A HOH   L 6 .   ? -21.923 6.286   -32.595 0.50 69.69  ? 329 HOH   B O   1 
HETATM 2347 O O   B HOH   L 6 .   ? -21.923 6.286   -32.595 0.50 69.69  ? 329 HOH   B O   1 
HETATM 2348 O O   . HOH   L 6 .   ? -11.055 11.868  -19.259 1.00 51.42  ? 330 HOH   B O   1 
HETATM 2349 O O   C HOH   L 6 .   ? -22.221 14.970  -6.252  0.50 51.87  ? 331 HOH   B O   1 
HETATM 2350 O O   D HOH   L 6 .   ? -22.221 14.970  -6.252  0.50 51.87  ? 331 HOH   B O   1 
HETATM 2351 O O   . HOH   L 6 .   ? -8.531  -11.033 -7.491  1.00 67.07  ? 332 HOH   B O   1 
HETATM 2352 O O   . HOH   L 6 .   ? -15.307 -4.545  1.456   1.00 42.49  ? 333 HOH   B O   1 
HETATM 2353 O O   . HOH   L 6 .   ? -12.357 -3.408  -10.238 1.00 35.72  ? 334 HOH   B O   1 
HETATM 2354 O O   A HOH   L 6 .   ? -14.611 -6.357  -1.740  0.50 69.01  ? 335 HOH   B O   1 
HETATM 2355 O O   B HOH   L 6 .   ? -14.611 -6.357  -1.740  0.50 69.01  ? 335 HOH   B O   1 
HETATM 2356 O O   A HOH   L 6 .   ? -7.528  -6.435  0.254   0.50 73.74  ? 336 HOH   B O   1 
HETATM 2357 O O   B HOH   L 6 .   ? -7.528  -6.435  0.254   0.50 73.74  ? 336 HOH   B O   1 
HETATM 2358 O O   C HOH   L 6 .   ? -21.597 14.416  -1.730  0.50 68.80  ? 337 HOH   B O   1 
HETATM 2359 O O   D HOH   L 6 .   ? -21.597 14.416  -1.730  0.50 68.80  ? 337 HOH   B O   1 
HETATM 2360 O O   . HOH   L 6 .   ? -16.307 -7.191  -8.245  1.00 59.61  ? 338 HOH   B O   1 
HETATM 2361 O O   . HOH   L 6 .   ? -7.105  -9.170  -3.054  1.00 46.65  ? 339 HOH   B O   1 
HETATM 2362 O O   A HOH   L 6 .   ? -0.577  0.162   -13.680 0.23 44.13  ? 340 HOH   B O   1 
HETATM 2363 O O   B HOH   L 6 .   ? -0.479  0.126   -13.586 0.22 44.18  ? 340 HOH   B O   1 
HETATM 2364 O O   . HOH   L 6 .   ? -30.789 12.419  -16.458 1.00 62.85  ? 341 HOH   B O   1 
HETATM 2365 O O   A HOH   L 6 .   ? -20.389 2.560   -32.712 0.50 56.02  ? 342 HOH   B O   1 
HETATM 2366 O O   B HOH   L 6 .   ? -20.389 2.560   -32.712 0.50 56.02  ? 342 HOH   B O   1 
HETATM 2367 O O   A HOH   L 6 .   ? -21.802 -13.647 -21.702 0.50 54.45  ? 343 HOH   B O   1 
HETATM 2368 O O   B HOH   L 6 .   ? -21.802 -13.647 -21.702 0.50 54.45  ? 343 HOH   B O   1 
HETATM 2369 O O   A HOH   L 6 .   ? -29.792 -1.290  -18.961 0.50 47.93  ? 344 HOH   B O   1 
HETATM 2370 O O   B HOH   L 6 .   ? -29.792 -1.290  -18.961 0.50 47.93  ? 344 HOH   B O   1 
HETATM 2371 O O   . HOH   L 6 .   ? -18.851 15.121  -22.281 1.00 47.04  ? 345 HOH   B O   1 
HETATM 2372 O O   . HOH   L 6 .   ? -15.226 9.194   -0.638  1.00 48.34  ? 346 HOH   B O   1 
HETATM 2373 O O   . HOH   L 6 .   ? -25.986 -4.631  -4.112  1.00 43.85  ? 347 HOH   B O   1 
HETATM 2374 O O   . HOH   L 6 .   ? -27.924 -6.326  -18.714 1.00 52.52  ? 348 HOH   B O   1 
HETATM 2375 O O   . HOH   L 6 .   ? -14.946 16.415  -20.063 1.00 57.69  ? 349 HOH   B O   1 
HETATM 2376 O O   A HOH   L 6 .   ? -5.876  0.044   -10.701 0.23 30.97  ? 350 HOH   B O   1 
HETATM 2377 O O   B HOH   L 6 .   ? -5.882  0.041   -10.701 0.22 30.97  ? 350 HOH   B O   1 
HETATM 2378 O O   . HOH   L 6 .   ? -19.005 25.311  -14.441 1.00 67.58  ? 351 HOH   B O   1 
HETATM 2379 O O   A HOH   L 6 .   ? -21.484 -12.386 -13.137 0.23 37.15  ? 352 HOH   B O   1 
HETATM 2380 O O   B HOH   L 6 .   ? -21.485 -12.387 -13.135 0.22 37.16  ? 352 HOH   B O   1 
HETATM 2381 O O   . HOH   L 6 .   ? -14.740 -12.406 -16.558 1.00 49.31  ? 353 HOH   B O   1 
HETATM 2382 O O   A HOH   L 6 .   ? -27.802 -10.405 0.184   0.50 74.93  ? 354 HOH   B O   1 
HETATM 2383 O O   B HOH   L 6 .   ? -27.802 -10.405 0.184   0.50 74.93  ? 354 HOH   B O   1 
HETATM 2384 O O   A HOH   L 6 .   ? -11.244 -5.001  -8.300  0.50 46.27  ? 355 HOH   B O   1 
HETATM 2385 O O   B HOH   L 6 .   ? -11.244 -5.001  -8.300  0.50 46.27  ? 355 HOH   B O   1 
HETATM 2386 O O   . HOH   L 6 .   ? -19.589 -13.442 -23.004 1.00 48.36  ? 356 HOH   B O   1 
HETATM 2387 O O   A HOH   L 6 .   ? -30.358 -8.294  -5.186  0.50 82.23  ? 357 HOH   B O   1 
HETATM 2388 O O   B HOH   L 6 .   ? -30.358 -8.294  -5.186  0.50 82.23  ? 357 HOH   B O   1 
HETATM 2389 O O   . HOH   L 6 .   ? -16.127 -13.811 -31.073 1.00 67.95  ? 358 HOH   B O   1 
HETATM 2390 O O   . HOH   L 6 .   ? -30.614 4.447   -2.506  1.00 50.89  ? 359 HOH   B O   1 
HETATM 2391 O O   C HOH   L 6 .   ? -18.021 18.021  -27.062 0.50 77.91  ? 360 HOH   B O   1 
HETATM 2392 O O   D HOH   L 6 .   ? -18.021 18.021  -27.062 0.50 77.91  ? 360 HOH   B O   1 
HETATM 2393 O O   C HOH   L 6 .   ? -9.938  -16.714 -24.361 0.50 61.18  ? 361 HOH   B O   1 
HETATM 2394 O O   D HOH   L 6 .   ? -9.938  -16.714 -24.361 0.50 61.18  ? 361 HOH   B O   1 
HETATM 2395 O O   . HOH   L 6 .   ? -24.200 -15.051 -17.594 1.00 65.47  ? 362 HOH   B O   1 
HETATM 2396 O O   A HOH   L 6 .   ? -31.820 -10.355 -3.009  0.50 197.57 ? 363 HOH   B O   1 
HETATM 2397 O O   B HOH   L 6 .   ? -31.820 -10.355 -3.009  0.50 197.57 ? 363 HOH   B O   1 
HETATM 2398 O O   A HOH   L 6 .   ? -10.683 7.662   -13.864 0.23 34.31  ? 364 HOH   B O   1 
HETATM 2399 O O   B HOH   L 6 .   ? -10.683 7.664   -13.862 0.22 34.32  ? 364 HOH   B O   1 
HETATM 2400 O O   . HOH   L 6 .   ? -17.346 14.470  -31.186 1.00 55.51  ? 365 HOH   B O   1 
HETATM 2401 O O   A HOH   L 6 .   ? -9.815  1.890   -8.053  0.23 43.31  ? 366 HOH   B O   1 
HETATM 2402 O O   B HOH   L 6 .   ? -9.815  1.886   -8.050  0.22 43.34  ? 366 HOH   B O   1 
HETATM 2403 O O   A HOH   L 6 .   ? -20.347 24.975  -16.699 0.50 65.19  ? 367 HOH   B O   1 
HETATM 2404 O O   B HOH   L 6 .   ? -20.347 24.975  -16.699 0.50 65.19  ? 367 HOH   B O   1 
HETATM 2405 O O   A HOH   L 6 .   ? -21.238 -6.806  -0.000  0.50 59.45  ? 368 HOH   B O   1 
HETATM 2406 O O   B HOH   L 6 .   ? -21.238 -6.806  -0.000  0.50 59.45  ? 368 HOH   B O   1 
HETATM 2407 O O   A HOH   L 6 .   ? -8.856  3.644   -9.894  0.23 84.11  ? 369 HOH   B O   1 
HETATM 2408 O O   B HOH   L 6 .   ? -8.856  3.639   -9.894  0.22 84.10  ? 369 HOH   B O   1 
HETATM 2409 O O   . HOH   L 6 .   ? -1.488  -15.027 -9.859  1.00 62.77  ? 370 HOH   B O   1 
HETATM 2410 O O   A HOH   L 6 .   ? -16.891 16.752  -21.807 0.50 61.81  ? 371 HOH   B O   1 
HETATM 2411 O O   B HOH   L 6 .   ? -16.891 16.752  -21.807 0.50 61.81  ? 371 HOH   B O   1 
HETATM 2412 O O   . HOH   L 6 .   ? -29.392 -5.586  -1.059  1.00 55.11  ? 372 HOH   B O   1 
HETATM 2413 O O   A HOH   L 6 .   ? -30.487 -11.990 -27.062 0.25 78.29  ? 373 HOH   B O   1 
HETATM 2414 O O   B HOH   L 6 .   ? -30.487 -11.990 -27.062 0.25 78.29  ? 373 HOH   B O   1 
HETATM 2415 O O   A HOH   L 6 .   ? -19.005 -12.072 -13.659 0.23 39.76  ? 374 HOH   B O   1 
HETATM 2416 O O   B HOH   L 6 .   ? -19.004 -12.073 -13.677 0.22 39.74  ? 374 HOH   B O   1 
HETATM 2417 O O   . HOH   L 6 .   ? -21.238 3.378   0.000   0.50 73.09  ? 375 HOH   B O   1 
HETATM 2418 O O   A HOH   L 6 .   ? -21.238 4.946   -0.000  0.25 68.49  ? 376 HOH   B O   1 
HETATM 2419 O O   B HOH   L 6 .   ? -21.238 4.945   -0.000  0.22 64.79  ? 376 HOH   B O   1 
HETATM 2420 O O   C HOH   L 6 .   ? -21.238 7.194   0.000   0.25 50.93  ? 376 HOH   B O   1 
HETATM 2421 O O   D HOH   L 6 .   ? -21.238 7.194   0.000   0.25 50.93  ? 376 HOH   B O   1 
HETATM 2422 O O   A HOH   L 6 .   ? -18.770 9.882   -39.302 0.50 68.47  ? 377 HOH   B O   1 
HETATM 2423 O O   B HOH   L 6 .   ? -18.770 9.882   -39.302 0.50 68.47  ? 377 HOH   B O   1 
HETATM 2424 O O   A HOH   L 6 .   ? -11.627 15.067  -13.913 0.50 61.56  ? 378 HOH   B O   1 
HETATM 2425 O O   B HOH   L 6 .   ? -11.627 15.067  -13.913 0.50 61.56  ? 378 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   . ASP   A 7   ? 0.9613 0.7031 1.0118 0.0237  0.2691  -0.1102 50  ASP   A N   
2    C CA  . ASP   A 7   ? 0.9394 0.6934 0.9510 0.0395  0.2608  -0.1082 50  ASP   A CA  
3    C C   . ASP   A 7   ? 0.9035 0.6591 0.8948 0.0610  0.2615  -0.0736 50  ASP   A C   
4    O O   . ASP   A 7   ? 0.9350 0.6662 0.9419 0.0729  0.2765  -0.0508 50  ASP   A O   
5    C CB  . ASP   A 7   ? 0.9808 0.7150 1.0021 0.0470  0.2698  -0.1235 50  ASP   A CB  
6    C CG  . ASP   A 7   ? 0.9841 0.7365 0.9749 0.0573  0.2613  -0.1308 50  ASP   A CG  
7    O OD1 . ASP   A 7   ? 1.0013 0.7745 0.9739 0.0436  0.2517  -0.1535 50  ASP   A OD1 
8    O OD2 . ASP   A 7   ? 0.9991 0.7448 0.9850 0.0795  0.2647  -0.1138 50  ASP   A OD2 
9    N N   . MET   A 8   ? 0.8429 0.6244 0.7992 0.0661  0.2464  -0.0701 51  MET   A N   
10   C CA  . MET   A 8   ? 0.8132 0.6015 0.7464 0.0836  0.2426  -0.0418 51  MET   A CA  
11   C C   . MET   A 8   ? 0.7886 0.5770 0.7021 0.1051  0.2385  -0.0366 51  MET   A C   
12   O O   . MET   A 8   ? 0.7874 0.5850 0.6978 0.1007  0.2336  -0.0574 51  MET   A O   
13   C CB  . MET   A 8   ? 0.7895 0.6066 0.7013 0.0736  0.2269  -0.0427 51  MET   A CB  
14   C CG  . MET   A 8   ? 0.7958 0.6167 0.7304 0.0564  0.2289  -0.0448 51  MET   A CG  
15   S SD  . MET   A 8   ? 0.7823 0.6353 0.6922 0.0503  0.2099  -0.0417 51  MET   A SD  
16   C CE  . MET   A 8   ? 0.7847 0.6387 0.7370 0.0358  0.2179  -0.0392 51  MET   A CE  
17   N N   . TYR   A 9   ? 0.7641 0.5427 0.6662 0.1279  0.2413  -0.0106 52  TYR   A N   
18   C CA  . TYR   A 9   ? 0.7508 0.5306 0.6356 0.1523  0.2342  -0.0036 52  TYR   A CA  
19   C C   . TYR   A 9   ? 0.7329 0.5207 0.5883 0.1687  0.2259  0.0189  52  TYR   A C   
20   O O   . TYR   A 9   ? 0.7186 0.5023 0.5714 0.1652  0.2324  0.0338  52  TYR   A O   
21   C CB  . TYR   A 9   ? 0.7840 0.5342 0.6873 0.1691  0.2471  0.0023  52  TYR   A CB  
22   C CG  . TYR   A 9   ? 0.8180 0.5377 0.7272 0.1796  0.2638  0.0289  52  TYR   A CG  
23   C CD1 . TYR   A 9   ? 0.8342 0.5355 0.7733 0.1613  0.2804  0.0266  52  TYR   A CD1 
24   C CD2 . TYR   A 9   ? 0.8389 0.5475 0.7234 0.2081  0.2635  0.0564  52  TYR   A CD2 
25   C CE1 . TYR   A 9   ? 0.8697 0.5415 0.8177 0.1694  0.2996  0.0526  52  TYR   A CE1 
26   C CE2 . TYR   A 9   ? 0.8744 0.5522 0.7600 0.2188  0.2825  0.0837  52  TYR   A CE2 
27   C CZ  . TYR   A 9   ? 0.8889 0.5478 0.8082 0.1986  0.3023  0.0828  52  TYR   A CZ  
28   O OH  . TYR   A 9   ? 0.9272 0.5549 0.8513 0.2070  0.3246  0.1108  52  TYR   A OH  
29   N N   . ILE   A 10  ? 0.7226 0.5237 0.5590 0.1849  0.2116  0.0184  53  ILE   A N   
30   C CA  . ILE   A 10  ? 0.7149 0.5251 0.5203 0.2026  0.1998  0.0348  53  ILE   A CA  
31   C C   . ILE   A 10  ? 0.7469 0.5405 0.5413 0.2353  0.1990  0.0513  53  ILE   A C   
32   O O   . ILE   A 10  ? 0.7511 0.5375 0.5619 0.2442  0.1997  0.0437  53  ILE   A O   
33   C CB  . ILE   A 10  ? 0.6898 0.5296 0.4824 0.1940  0.1813  0.0194  53  ILE   A CB  
34   C CG1 . ILE   A 10  ? 0.6872 0.5382 0.4904 0.1990  0.1730  0.0024  53  ILE   A CG1 
35   C CG2 . ILE   A 10  ? 0.6709 0.5234 0.4677 0.1651  0.1817  0.0068  53  ILE   A CG2 
36   C CD1 . ILE   A 10  ? 0.6674 0.5446 0.4592 0.1927  0.1568  -0.0088 53  ILE   A CD1 
37   N N   . GLU   A 11  ? 0.7672 0.5542 0.5327 0.2546  0.1975  0.0734  54  GLU   A N   
38   C CA  . GLU   A 11  ? 0.8035 0.5760 0.5462 0.2901  0.1925  0.0907  54  GLU   A CA  
39   C C   . GLU   A 11  ? 0.7877 0.5770 0.4938 0.3045  0.1743  0.0951  54  GLU   A C   
40   O O   . GLU   A 11  ? 0.7720 0.5643 0.4618 0.2976  0.1790  0.1044  54  GLU   A O   
41   C CB  . GLU   A 11  ? 0.8535 0.5903 0.5888 0.3047  0.2147  0.1191  54  GLU   A CB  
42   C CG  . GLU   A 11  ? 0.8859 0.5964 0.6546 0.2983  0.2337  0.1195  54  GLU   A CG  
43   C CD  . GLU   A 11  ? 0.9389 0.6121 0.7029 0.3080  0.2598  0.1498  54  GLU   A CD  
44   O OE1 . GLU   A 11  ? 0.9678 0.6388 0.7025 0.3177  0.2647  0.1697  54  GLU   A OE1 
45   O OE2 . GLU   A 11  ? 0.9802 0.6252 0.7705 0.3060  0.2771  0.1538  54  GLU   A OE2 
46   N N   . ARG   A 12  ? 0.7913 0.5920 0.4866 0.3253  0.1533  0.0878  55  ARG   A N   
47   C CA  . ARG   A 12  ? 0.7921 0.6085 0.4550 0.3395  0.1332  0.0875  55  ARG   A CA  
48   C C   . ARG   A 12  ? 0.8252 0.6191 0.4497 0.3600  0.1447  0.1157  55  ARG   A C   
49   O O   . ARG   A 12  ? 0.8627 0.6284 0.4844 0.3733  0.1623  0.1356  55  ARG   A O   
50   C CB  . ARG   A 12  ? 0.8053 0.6341 0.4656 0.3634  0.1089  0.0765  55  ARG   A CB  
51   C CG  . ARG   A 12  ? 0.8029 0.6516 0.4385 0.3722  0.0852  0.0680  55  ARG   A CG  
52   C CD  . ARG   A 12  ? 0.7908 0.6662 0.4506 0.3745  0.0611  0.0427  55  ARG   A CD  
53   N NE  . ARG   A 12  ? 0.7798 0.6755 0.4274 0.3729  0.0405  0.0294  55  ARG   A NE  
54   C CZ  . ARG   A 12  ? 0.8072 0.6996 0.4154 0.3990  0.0250  0.0358  55  ARG   A CZ  
55   N NH1 . ARG   A 12  ? 0.8624 0.7325 0.4363 0.4303  0.0276  0.0567  55  ARG   A NH1 
56   N NH2 . ARG   A 12  ? 0.7841 0.6934 0.3857 0.3946  0.0070  0.0208  55  ARG   A NH2 
57   N N   . ALA   A 13  ? 0.8271 0.6309 0.4255 0.3605  0.1388  0.1178  56  ALA   A N   
58   C CA  . ALA   A 13  ? 0.8619 0.6478 0.4233 0.3775  0.1529  0.1430  56  ALA   A CA  
59   C C   . ALA   A 13  ? 0.8877 0.6812 0.4046 0.4049  0.1310  0.1418  56  ALA   A C   
60   O O   . ALA   A 13  ? 0.9276 0.7049 0.4047 0.4256  0.1420  0.1630  56  ALA   A O   
61   C CB  . ALA   A 13  ? 0.8452 0.6359 0.4196 0.3516  0.1700  0.1460  56  ALA   A CB  
62   N N   . GLY   A 14  ? 0.8733 0.6902 0.3959 0.4051  0.1025  0.1177  57  GLY   A N   
63   C CA  . GLY   A 14  ? 0.8961 0.7228 0.3817 0.4262  0.0794  0.1108  57  GLY   A CA  
64   C C   . GLY   A 14  ? 0.8836 0.7391 0.3919 0.4094  0.0548  0.0811  57  GLY   A C   
65   O O   . GLY   A 14  ? 0.8152 0.6830 0.3638 0.3776  0.0599  0.0685  57  GLY   A O   
66   N N   . ASP   A 15  ? 0.9103 0.7745 0.3914 0.4300  0.0299  0.0703  58  ASP   A N   
67   C CA  . ASP   A 15  ? 0.8996 0.7880 0.3983 0.4155  0.0070  0.0431  58  ASP   A CA  
68   C C   . ASP   A 15  ? 0.8965 0.7843 0.3835 0.3999  0.0155  0.0451  58  ASP   A C   
69   O O   . ASP   A 15  ? 0.9376 0.8090 0.3965 0.4076  0.0353  0.0665  58  ASP   A O   
70   C CB  . ASP   A 15  ? 0.9289 0.8259 0.4049 0.4439  -0.0244 0.0282  58  ASP   A CB  
71   C CG  . ASP   A 15  ? 0.9467 0.8507 0.4384 0.4622  -0.0408 0.0208  58  ASP   A CG  
72   O OD1 . ASP   A 15  ? 0.9244 0.8222 0.4425 0.4533  -0.0233 0.0304  58  ASP   A OD1 
73   O OD2 . ASP   A 15  ? 0.9704 0.8862 0.4508 0.4856  -0.0713 0.0043  58  ASP   A OD2 
74   N N   . ILE   A 16  ? 0.8745 0.7796 0.3867 0.3771  0.0029  0.0239  59  ILE   A N   
75   C CA  . ILE   A 16  ? 0.8643 0.7689 0.3664 0.3644  0.0070  0.0240  59  ILE   A CA  
76   C C   . ILE   A 16  ? 0.8825 0.7905 0.3589 0.3844  -0.0177 0.0092  59  ILE   A C   
77   O O   . ILE   A 16  ? 0.8709 0.7928 0.3677 0.3803  -0.0402 -0.0137 59  ILE   A O   
78   C CB  . ILE   A 16  ? 0.8335 0.7475 0.3716 0.3280  0.0139  0.0161  59  ILE   A CB  
79   C CG1 . ILE   A 16  ? 0.8281 0.7366 0.3844 0.3119  0.0383  0.0304  59  ILE   A CG1 
80   C CG2 . ILE   A 16  ? 0.8334 0.7460 0.3576 0.3220  0.0121  0.0148  59  ILE   A CG2 
81   C CD1 . ILE   A 16  ? 0.7900 0.7076 0.3782 0.2784  0.0442  0.0217  59  ILE   A CD1 
82   N N   A THR   A 17  ? 0.9109 0.8059 0.3430 0.4074  -0.0131 0.0214  60  THR   A N   
83   N N   B THR   A 17  ? 0.9077 0.8030 0.3412 0.4055  -0.0127 0.0211  60  THR   A N   
84   N N   C THR   A 17  ? 0.9108 0.8058 0.3429 0.4075  -0.0132 0.0214  60  THR   A N   
85   N N   D THR   A 17  ? 0.9076 0.8029 0.3410 0.4056  -0.0127 0.0211  60  THR   A N   
86   C CA  A THR   A 17  ? 0.9422 0.8365 0.3390 0.4324  -0.0358 0.0078  60  THR   A CA  
87   C CA  B THR   A 17  ? 0.9399 0.8343 0.3377 0.4317  -0.0354 0.0080  60  THR   A CA  
88   C CA  C THR   A 17  ? 0.9421 0.8364 0.3389 0.4325  -0.0358 0.0078  60  THR   A CA  
89   C CA  D THR   A 17  ? 0.9397 0.8341 0.3374 0.4318  -0.0354 0.0080  60  THR   A CA  
90   C C   A THR   A 17  ? 0.9667 0.8476 0.3198 0.4479  -0.0237 0.0199  60  THR   A C   
91   C C   B THR   A 17  ? 0.9657 0.8467 0.3191 0.4477  -0.0237 0.0198  60  THR   A C   
92   C C   C THR   A 17  ? 0.9673 0.8482 0.3202 0.4482  -0.0238 0.0199  60  THR   A C   
93   C C   D THR   A 17  ? 0.9663 0.8472 0.3194 0.4480  -0.0239 0.0198  60  THR   A C   
94   O O   A THR   A 17  ? 0.9806 0.8490 0.3134 0.4572  0.0013  0.0449  60  THR   A O   
95   O O   B THR   A 17  ? 0.9803 0.8487 0.3130 0.4573  0.0012  0.0449  60  THR   A O   
96   O O   C THR   A 17  ? 0.9810 0.8493 0.3134 0.4576  0.0011  0.0449  60  THR   A O   
97   O O   D THR   A 17  ? 0.9809 0.8491 0.3126 0.4583  0.0008  0.0449  60  THR   A O   
98   C CB  A THR   A 17  ? 0.9914 0.8814 0.3564 0.4677  -0.0503 0.0087  60  THR   A CB  
99   C CB  B THR   A 17  ? 0.9848 0.8752 0.3553 0.4649  -0.0482 0.0102  60  THR   A CB  
100  C CB  C THR   A 17  ? 0.9918 0.8818 0.3568 0.4678  -0.0504 0.0087  60  THR   A CB  
101  C CB  D THR   A 17  ? 0.9853 0.8757 0.3558 0.4650  -0.0482 0.0101  60  THR   A CB  
102  O OG1 A THR   A 17  ? 1.0248 0.8951 0.3477 0.4901  -0.0285 0.0366  60  THR   A OG1 
103  O OG1 B THR   A 17  ? 0.9627 0.8661 0.3731 0.4560  -0.0587 -0.0001 60  THR   A OG1 
104  O OG1 C THR   A 17  ? 1.0248 0.8951 0.3476 0.4902  -0.0286 0.0366  60  THR   A OG1 
105  O OG1 D THR   A 17  ? 0.9626 0.8660 0.3728 0.4563  -0.0589 -0.0002 60  THR   A OG1 
106  C CG2 A THR   A 17  ? 0.9788 0.8796 0.3782 0.4644  -0.0604 0.0017  60  THR   A CG2 
107  C CG2 B THR   A 17  ? 1.0211 0.9124 0.3550 0.4923  -0.0758 -0.0077 60  THR   A CG2 
108  C CG2 C THR   A 17  ? 0.9789 0.8797 0.3783 0.4644  -0.0604 0.0017  60  THR   A CG2 
109  C CG2 D THR   A 17  ? 1.0210 0.9123 0.3548 0.4923  -0.0758 -0.0077 60  THR   A CG2 
110  N N   . TRP   A 18  ? 0.9730 0.8569 0.3161 0.4515  -0.0426 0.0001  61  TRP   A N   
111  C CA  . TRP   A 18  ? 1.0084 0.8808 0.3077 0.4711  -0.0350 0.0062  61  TRP   A CA  
112  C C   . TRP   A 18  ? 1.1041 0.9656 0.3482 0.5113  -0.0391 0.0137  61  TRP   A C   
113  O O   . TRP   A 18  ? 1.1262 0.9926 0.3616 0.5284  -0.0667 -0.0024 61  TRP   A O   
114  C CB  . TRP   A 18  ? 0.9865 0.8619 0.2892 0.4664  -0.0551 -0.0188 61  TRP   A CB  
115  C CG  . TRP   A 18  ? 1.0016 0.8656 0.2622 0.4865  -0.0456 -0.0136 61  TRP   A CG  
116  C CD1 . TRP   A 18  ? 1.0546 0.9098 0.2611 0.5224  -0.0561 -0.0199 61  TRP   A CD1 
117  C CD2 . TRP   A 18  ? 0.9793 0.8403 0.2473 0.4743  -0.0241 -0.0026 61  TRP   A CD2 
118  N NE1 . TRP   A 18  ? 1.0636 0.9098 0.2428 0.5330  -0.0396 -0.0129 61  TRP   A NE1 
119  C CE2 . TRP   A 18  ? 1.0225 0.8732 0.2416 0.5039  -0.0205 -0.0028 61  TRP   A CE2 
120  C CE3 . TRP   A 18  ? 0.9251 0.7919 0.2346 0.4432  -0.0085 0.0066  61  TRP   A CE3 
121  C CZ2 . TRP   A 18  ? 1.0227 0.8704 0.2390 0.5028  -0.0004 0.0061  61  TRP   A CZ2 
122  C CZ3 . TRP   A 18  ? 0.9323 0.7965 0.2386 0.4428  0.0080  0.0151  61  TRP   A CZ3 
123  C CH2 . TRP   A 18  ? 0.9720 0.8276 0.2352 0.4717  0.0125  0.0147  61  TRP   A CH2 
124  N N   . GLU   A 19  ? 1.1652 1.0127 0.3723 0.5276  -0.0126 0.0377  62  GLU   A N   
125  C CA  . GLU   A 19  ? 1.2652 1.0980 0.4133 0.5670  -0.0113 0.0506  62  GLU   A CA  
126  C C   . GLU   A 19  ? 1.3196 1.1413 0.4133 0.5923  -0.0029 0.0528  62  GLU   A C   
127  O O   . GLU   A 19  ? 1.3092 1.1261 0.4036 0.5851  0.0290  0.0714  62  GLU   A O   
128  C CB  . GLU   A 19  ? 1.2925 1.1147 0.4459 0.5657  0.0170  0.0817  62  GLU   A CB  
129  C CG  . GLU   A 19  ? 1.2835 1.1163 0.4881 0.5439  0.0072  0.0760  62  GLU   A CG  
130  C CD  . GLU   A 19  ? 1.3351 1.1703 0.5272 0.5669  -0.0220 0.0647  62  GLU   A CD  
131  O OE1 . GLU   A 19  ? 1.3948 1.2269 0.5395 0.5990  -0.0442 0.0538  62  GLU   A OE1 
132  O OE2 . GLU   A 19  ? 1.3488 1.1898 0.5817 0.5518  -0.0220 0.0659  62  GLU   A OE2 
133  N N   A LYS   A 20  ? 1.3686 1.1884 0.4193 0.6210  -0.0319 0.0316  63  LYS   A N   
134  N N   B LYS   A 20  ? 1.3686 1.1884 0.4193 0.6210  -0.0319 0.0316  63  LYS   A N   
135  N N   C LYS   A 20  ? 1.3688 1.1881 0.4179 0.6219  -0.0313 0.0325  63  LYS   A N   
136  N N   D LYS   A 20  ? 1.3688 1.1881 0.4179 0.6219  -0.0313 0.0325  63  LYS   A N   
137  C CA  A LYS   A 20  ? 1.4225 1.2320 0.4158 0.6489  -0.0306 0.0257  63  LYS   A CA  
138  C CA  B LYS   A 20  ? 1.4225 1.2320 0.4158 0.6489  -0.0306 0.0257  63  LYS   A CA  
139  C CA  C LYS   A 20  ? 1.4258 1.2335 0.4136 0.6520  -0.0278 0.0294  63  LYS   A CA  
140  C CA  D LYS   A 20  ? 1.4258 1.2335 0.4136 0.6520  -0.0278 0.0294  63  LYS   A CA  
141  C C   A LYS   A 20  ? 1.4618 1.2527 0.4046 0.6728  0.0071  0.0608  63  LYS   A C   
142  C C   B LYS   A 20  ? 1.4618 1.2527 0.4046 0.6728  0.0071  0.0608  63  LYS   A C   
143  C C   C LYS   A 20  ? 1.4673 1.2558 0.4043 0.6769  0.0084  0.0655  63  LYS   A C   
144  C C   D LYS   A 20  ? 1.4673 1.2558 0.4043 0.6769  0.0084  0.0655  63  LYS   A C   
145  O O   A LYS   A 20  ? 1.4934 1.2734 0.4105 0.6907  0.0127  0.0803  63  LYS   A O   
146  O O   B LYS   A 20  ? 1.4934 1.2734 0.4105 0.6907  0.0127  0.0803  63  LYS   A O   
147  O O   C LYS   A 20  ? 1.4979 1.2771 0.4143 0.6930  0.0098  0.0823  63  LYS   A O   
148  O O   D LYS   A 20  ? 1.4979 1.2771 0.4143 0.6930  0.0098  0.0823  63  LYS   A O   
149  C CB  A LYS   A 20  ? 1.4767 1.2869 0.4303 0.6784  -0.0717 -0.0039 63  LYS   A CB  
150  C CB  B LYS   A 20  ? 1.4767 1.2869 0.4303 0.6784  -0.0717 -0.0039 63  LYS   A CB  
151  C CB  C LYS   A 20  ? 1.4785 1.2870 0.4270 0.6810  -0.0693 -0.0010 63  LYS   A CB  
152  C CB  D LYS   A 20  ? 1.4785 1.2870 0.4270 0.6810  -0.0693 -0.0010 63  LYS   A CB  
153  C CG  A LYS   A 20  ? 1.4507 1.2757 0.4463 0.6587  -0.1056 -0.0427 63  LYS   A CG  
154  C CG  B LYS   A 20  ? 1.4507 1.2757 0.4463 0.6587  -0.1056 -0.0427 63  LYS   A CG  
155  C CG  C LYS   A 20  ? 1.4487 1.2729 0.4423 0.6596  -0.1030 -0.0395 63  LYS   A CG  
156  C CG  D LYS   A 20  ? 1.4487 1.2729 0.4423 0.6596  -0.1030 -0.0395 63  LYS   A CG  
157  C CD  A LYS   A 20  ? 1.4969 1.3275 0.4704 0.6828  -0.1497 -0.0740 63  LYS   A CD  
158  C CD  B LYS   A 20  ? 1.4969 1.3275 0.4704 0.6828  -0.1497 -0.0740 63  LYS   A CD  
159  C CD  C LYS   A 20  ? 1.4863 1.3180 0.4663 0.6799  -0.1474 -0.0695 63  LYS   A CD  
160  C CD  D LYS   A 20  ? 1.4863 1.3180 0.4663 0.6799  -0.1474 -0.0695 63  LYS   A CD  
161  C CE  A LYS   A 20  ? 1.4680 1.3126 0.4922 0.6598  -0.1809 -0.1125 63  LYS   A CE  
162  C CE  B LYS   A 20  ? 1.4680 1.3126 0.4922 0.6598  -0.1809 -0.1125 63  LYS   A CE  
163  C CE  C LYS   A 20  ? 1.4695 1.3125 0.4865 0.6633  -0.1788 -0.1095 63  LYS   A CE  
164  C CE  D LYS   A 20  ? 1.4695 1.3125 0.4865 0.6633  -0.1788 -0.1095 63  LYS   A CE  
165  N NZ  A LYS   A 20  ? 1.4988 1.3554 0.5229 0.6761  -0.2246 -0.1427 63  LYS   A NZ  
166  N NZ  B LYS   A 20  ? 1.4988 1.3554 0.5229 0.6761  -0.2246 -0.1427 63  LYS   A NZ  
167  N NZ  C LYS   A 20  ? 1.4910 1.3479 0.5174 0.6747  -0.2220 -0.1395 63  LYS   A NZ  
168  N NZ  D LYS   A 20  ? 1.4910 1.3479 0.5174 0.6747  -0.2220 -0.1395 63  LYS   A NZ  
169  N N   A ASP   A 21  ? 1.4627 1.2495 0.3939 0.6733  0.0332  0.0686  64  ASP   A N   
170  N N   B ASP   A 21  ? 1.4627 1.2495 0.3939 0.6733  0.0332  0.0686  64  ASP   A N   
171  N N   C ASP   A 21  ? 1.4739 1.2561 0.3930 0.6806  0.0376  0.0772  64  ASP   A N   
172  N N   D ASP   A 21  ? 1.4739 1.2561 0.3930 0.6806  0.0376  0.0772  64  ASP   A N   
173  C CA  A ASP   A 21  ? 1.5094 1.2797 0.3968 0.6943  0.0749  0.1016  64  ASP   A CA  
174  C CA  B ASP   A 21  ? 1.5094 1.2797 0.3968 0.6943  0.0749  0.1016  64  ASP   A CA  
175  C CA  C ASP   A 21  ? 1.5222 1.2859 0.3944 0.7034  0.0782  0.1121  64  ASP   A CA  
176  C CA  D ASP   A 21  ? 1.5222 1.2859 0.3944 0.7034  0.0782  0.1121  64  ASP   A CA  
177  C C   A ASP   A 21  ? 1.4711 1.2399 0.4012 0.6711  0.1065  0.1331  64  ASP   A C   
178  C C   B ASP   A 21  ? 1.4711 1.2399 0.4012 0.6711  0.1065  0.1331  64  ASP   A C   
179  C C   C ASP   A 21  ? 1.4735 1.2376 0.3978 0.6747  0.1123  0.1418  64  ASP   A C   
180  C C   D ASP   A 21  ? 1.4735 1.2376 0.3978 0.6747  0.1123  0.1418  64  ASP   A C   
181  O O   A ASP   A 21  ? 1.5137 1.2642 0.4071 0.6918  0.1273  0.1607  64  ASP   A O   
182  O O   B ASP   A 21  ? 1.5137 1.2642 0.4071 0.6918  0.1273  0.1607  64  ASP   A O   
183  O O   C ASP   A 21  ? 1.5094 1.2557 0.4061 0.6906  0.1357  0.1713  64  ASP   A O   
184  O O   D ASP   A 21  ? 1.5094 1.2557 0.4061 0.6906  0.1357  0.1713  64  ASP   A O   
185  C CB  A ASP   A 21  ? 1.6026 1.3541 0.4041 0.7417  0.0677  0.1064  64  ASP   A CB  
186  C CB  B ASP   A 21  ? 1.6026 1.3541 0.4041 0.7417  0.0677  0.1064  64  ASP   A CB  
187  C CB  C ASP   A 21  ? 1.6062 1.3513 0.4031 0.7466  0.0682  0.1203  64  ASP   A CB  
188  C CB  D ASP   A 21  ? 1.6062 1.3513 0.4031 0.7466  0.0682  0.1203  64  ASP   A CB  
189  C CG  A ASP   A 21  ? 1.6476 1.3984 0.3998 0.7679  0.0413  0.0754  64  ASP   A CG  
190  C CG  B ASP   A 21  ? 1.6476 1.3984 0.3998 0.7679  0.0413  0.0754  64  ASP   A CG  
191  C CG  C ASP   A 21  ? 1.6667 1.4077 0.3974 0.7821  0.0405  0.0938  64  ASP   A CG  
192  C CG  D ASP   A 21  ? 1.6667 1.4077 0.3974 0.7821  0.0405  0.0938  64  ASP   A CG  
193  O OD1 A ASP   A 21  ? 1.7231 1.4565 0.3980 0.8066  0.0549  0.0854  64  ASP   A OD1 
194  O OD1 B ASP   A 21  ? 1.7231 1.4565 0.3980 0.8066  0.0549  0.0854  64  ASP   A OD1 
195  O OD1 C ASP   A 21  ? 1.7086 1.4419 0.4008 0.7976  0.0640  0.0976  64  ASP   A OD1 
196  O OD1 D ASP   A 21  ? 1.7086 1.4419 0.4008 0.7976  0.0640  0.0976  64  ASP   A OD1 
197  O OD2 A ASP   A 21  ? 1.6087 1.3743 0.3975 0.7507  0.0082  0.0411  64  ASP   A OD2 
198  O OD2 B ASP   A 21  ? 1.6087 1.3743 0.3975 0.7507  0.0082  0.0411  64  ASP   A OD2 
199  O OD2 C ASP   A 21  ? 1.6819 1.4286 0.3996 0.7958  -0.0053 0.0664  64  ASP   A OD2 
200  O OD2 D ASP   A 21  ? 1.6819 1.4286 0.3996 0.7958  -0.0053 0.0664  64  ASP   A OD2 
201  N N   A ALA   A 22  ? 1.3836 1.1690 0.3867 0.6305  0.1085  0.1283  65  ALA   A N   
202  N N   B ALA   A 22  ? 1.3836 1.1690 0.3867 0.6305  0.1085  0.1283  65  ALA   A N   
203  N N   C ALA   A 22  ? 1.3864 1.1682 0.3817 0.6349  0.1142  0.1342  65  ALA   A N   
204  N N   D ALA   A 22  ? 1.3864 1.1682 0.3817 0.6349  0.1142  0.1342  65  ALA   A N   
205  C CA  A ALA   A 22  ? 1.3440 1.1298 0.3923 0.6055  0.1438  0.1553  65  ALA   A CA  
206  C CA  B ALA   A 22  ? 1.3440 1.1298 0.3923 0.6055  0.1438  0.1553  65  ALA   A CA  
207  C CA  C ALA   A 22  ? 1.3411 1.1252 0.3871 0.6069  0.1489  0.1593  65  ALA   A CA  
208  C CA  D ALA   A 22  ? 1.3411 1.1252 0.3871 0.6069  0.1489  0.1593  65  ALA   A CA  
209  C C   A ALA   A 22  ? 1.3614 1.1429 0.3951 0.6138  0.1839  0.1750  65  ALA   A C   
210  C C   B ALA   A 22  ? 1.3614 1.1429 0.3951 0.6138  0.1839  0.1750  65  ALA   A C   
211  C C   C ALA   A 22  ? 1.3585 1.1382 0.3898 0.6153  0.1895  0.1793  65  ALA   A C   
212  C C   D ALA   A 22  ? 1.3585 1.1382 0.3898 0.6153  0.1895  0.1793  65  ALA   A C   
213  O O   A ALA   A 22  ? 1.3931 1.1756 0.3934 0.6319  0.1792  0.1619  65  ALA   A O   
214  O O   B ALA   A 22  ? 1.3931 1.1756 0.3934 0.6319  0.1792  0.1619  65  ALA   A O   
215  O O   C ALA   A 22  ? 1.3871 1.1670 0.3819 0.6350  0.1855  0.1671  65  ALA   A O   
216  O O   D ALA   A 22  ? 1.3871 1.1670 0.3819 0.6350  0.1855  0.1671  65  ALA   A O   
217  C CB  A ALA   A 22  ? 1.2637 1.0689 0.3867 0.5631  0.1286  0.1402  65  ALA   A CB  
218  C CB  B ALA   A 22  ? 1.2637 1.0689 0.3867 0.5631  0.1286  0.1402  65  ALA   A CB  
219  C CB  C ALA   A 22  ? 1.2615 1.0659 0.3814 0.5648  0.1320  0.1420  65  ALA   A CB  
220  C CB  D ALA   A 22  ? 1.2615 1.0659 0.3814 0.5648  0.1320  0.1420  65  ALA   A CB  
221  N N   A GLU   A 23  ? 1.3563 1.1291 0.4080 0.6061  0.2247  0.2081  66  GLU   A N   
222  N N   B GLU   A 23  ? 1.3563 1.1291 0.4080 0.6061  0.2247  0.2081  66  GLU   A N   
223  N N   C GLU   A 23  ? 1.3526 1.1247 0.4067 0.6052  0.2301  0.2117  66  GLU   A N   
224  N N   D GLU   A 23  ? 1.3526 1.1247 0.4067 0.6052  0.2301  0.2117  66  GLU   A N   
225  C CA  A GLU   A 23  ? 1.3637 1.1384 0.4248 0.6048  0.2669  0.2270  66  GLU   A CA  
226  C CA  B GLU   A 23  ? 1.3637 1.1384 0.4248 0.6048  0.2669  0.2270  66  GLU   A CA  
227  C CA  C GLU   A 23  ? 1.3624 1.1372 0.4253 0.6043  0.2712  0.2294  66  GLU   A CA  
228  C CA  D GLU   A 23  ? 1.3624 1.1372 0.4253 0.6043  0.2712  0.2294  66  GLU   A CA  
229  C C   A GLU   A 23  ? 1.3062 1.1062 0.4148 0.5811  0.2545  0.2040  66  GLU   A C   
230  C C   B GLU   A 23  ? 1.3062 1.1062 0.4148 0.5811  0.2545  0.2040  66  GLU   A C   
231  C C   C GLU   A 23  ? 1.3048 1.1049 0.4146 0.5807  0.2562  0.2049  66  GLU   A C   
232  C C   D GLU   A 23  ? 1.3048 1.1049 0.4146 0.5807  0.2562  0.2049  66  GLU   A C   
233  O O   A GLU   A 23  ? 1.2249 1.0398 0.3929 0.5474  0.2390  0.1932  66  GLU   A O   
234  O O   B GLU   A 23  ? 1.2249 1.0398 0.3929 0.5474  0.2390  0.1932  66  GLU   A O   
235  O O   C GLU   A 23  ? 1.2250 1.0399 0.3944 0.5470  0.2413  0.1945  66  GLU   A O   
236  O O   D GLU   A 23  ? 1.2250 1.0399 0.3944 0.5470  0.2413  0.1945  66  GLU   A O   
237  C CB  A GLU   A 23  ? 1.3558 1.1250 0.4601 0.5847  0.3015  0.2554  66  GLU   A CB  
238  C CB  B GLU   A 23  ? 1.3558 1.1250 0.4601 0.5847  0.3015  0.2554  66  GLU   A CB  
239  C CB  C GLU   A 23  ? 1.3546 1.1252 0.4630 0.5836  0.3086  0.2580  66  GLU   A CB  
240  C CB  D GLU   A 23  ? 1.3546 1.1252 0.4630 0.5836  0.3086  0.2580  66  GLU   A CB  
241  C CG  A GLU   A 23  ? 1.4037 1.1633 0.4978 0.5957  0.3522  0.2852  66  GLU   A CG  
242  C CG  B GLU   A 23  ? 1.4037 1.1633 0.4978 0.5957  0.3522  0.2852  66  GLU   A CG  
243  C CG  C GLU   A 23  ? 1.3434 1.1288 0.4932 0.5690  0.3438  0.2677  66  GLU   A CG  
244  C CG  D GLU   A 23  ? 1.3434 1.1288 0.4932 0.5690  0.3438  0.2677  66  GLU   A CG  
245  C CD  A GLU   A 23  ? 1.3999 1.1492 0.5370 0.5764  0.3845  0.3124  66  GLU   A CD  
246  C CD  B GLU   A 23  ? 1.3999 1.1492 0.5370 0.5764  0.3845  0.3124  66  GLU   A CD  
247  C CD  C GLU   A 23  ? 1.3280 1.1138 0.5380 0.5422  0.3765  0.2898  66  GLU   A CD  
248  C CD  D GLU   A 23  ? 1.3280 1.1138 0.5380 0.5422  0.3765  0.2898  66  GLU   A CD  
249  O OE1 A GLU   A 23  ? 1.4567 1.1837 0.5630 0.5954  0.4246  0.3433  66  GLU   A OE1 
250  O OE1 B GLU   A 23  ? 1.4567 1.1837 0.5630 0.5954  0.4246  0.3433  66  GLU   A OE1 
251  O OE1 C GLU   A 23  ? 1.3089 1.0858 0.5377 0.5286  0.3661  0.2924  66  GLU   A OE1 
252  O OE1 D GLU   A 23  ? 1.3089 1.0858 0.5377 0.5286  0.3661  0.2924  66  GLU   A OE1 
253  O OE2 A GLU   A 23  ? 1.3375 1.0992 0.5376 0.5427  0.3701  0.3022  66  GLU   A OE2 
254  O OE2 B GLU   A 23  ? 1.3375 1.0992 0.5376 0.5427  0.3701  0.3022  66  GLU   A OE2 
255  O OE2 C GLU   A 23  ? 1.3445 1.1368 0.5785 0.5390  0.4166  0.3064  66  GLU   A OE2 
256  O OE2 D GLU   A 23  ? 1.3445 1.1368 0.5785 0.5390  0.4166  0.3064  66  GLU   A OE2 
257  N N   . VAL   A 24  ? 1.3242 1.1277 0.4068 0.5985  0.2605  0.1963  67  VAL   A N   
258  C CA  . VAL   A 24  ? 1.2748 1.0996 0.4006 0.5793  0.2477  0.1749  67  VAL   A CA  
259  C C   . VAL   A 24  ? 1.2659 1.1036 0.4309 0.5694  0.2877  0.1926  67  VAL   A C   
260  O O   . VAL   A 24  ? 1.3063 1.1363 0.4350 0.5946  0.3188  0.2073  67  VAL   A O   
261  C CB  . VAL   A 24  ? 1.2942 1.1163 0.3776 0.6013  0.2203  0.1475  67  VAL   A CB  
262  C CG1 . VAL   A 24  ? 1.2449 1.0846 0.3744 0.5823  0.2108  0.1298  67  VAL   A CG1 
263  C CG2 . VAL   A 24  ? 1.2980 1.1116 0.3540 0.6081  0.1788  0.1269  67  VAL   A CG2 
264  N N   . THR   A 25  ? 1.1942 1.0518 0.4318 0.5342  0.2868  0.1904  68  THR   A N   
265  C CA  . THR   A 25  ? 1.1711 1.0453 0.4619 0.5192  0.3229  0.2071  68  THR   A CA  
266  C C   . THR   A 25  ? 1.0999 0.9990 0.4604 0.4856  0.3040  0.1917  68  THR   A C   
267  O O   . THR   A 25  ? 1.0507 0.9496 0.4105 0.4758  0.2672  0.1716  68  THR   A O   
268  C CB  . THR   A 25  ? 1.1841 1.0472 0.4856 0.5129  0.3533  0.2344  68  THR   A CB  
269  O OG1 . THR   A 25  ? 1.1814 1.0606 0.5336 0.5013  0.3910  0.2495  68  THR   A OG1 
270  C CG2 . THR   A 25  ? 1.1406 1.0070 0.4876 0.4810  0.3349  0.2304  68  THR   A CG2 
271  N N   . GLY   A 26  ? 1.0902 1.0103 0.5090 0.4691  0.3286  0.2010  69  GLY   A N   
272  C CA  . GLY   A 26  ? 1.0400 0.9866 0.5248 0.4412  0.3127  0.1877  69  GLY   A CA  
273  C C   . GLY   A 26  ? 1.0428 1.0010 0.5275 0.4511  0.2973  0.1705  69  GLY   A C   
274  O O   . GLY   A 26  ? 1.0871 1.0296 0.5212 0.4695  0.2746  0.1560  69  GLY   A O   
275  N N   . ASN   A 27  ? 1.0144 0.9997 0.5580 0.4389  0.3066  0.1701  70  ASN   A N   
276  C CA  . ASN   A 27  ? 0.9998 0.9979 0.5540 0.4471  0.2920  0.1547  70  ASN   A CA  
277  C C   . ASN   A 27  ? 0.9351 0.9336 0.5055 0.4249  0.2508  0.1385  70  ASN   A C   
278  O O   . ASN   A 27  ? 0.9055 0.8953 0.4745 0.4063  0.2380  0.1392  70  ASN   A O   
279  C CB  . ASN   A 27  ? 1.0120 1.0394 0.6215 0.4471  0.3203  0.1621  70  ASN   A CB  
280  C CG  . ASN   A 27  ? 0.9715 1.0239 0.6533 0.4149  0.3144  0.1628  70  ASN   A CG  
281  O OD1 . ASN   A 27  ? 0.9597 1.0064 0.6511 0.3954  0.3145  0.1693  70  ASN   A OD1 
282  N ND2 . ASN   A 27  ? 0.9640 1.0438 0.6959 0.4103  0.3073  0.1547  70  ASN   A ND2 
283  N N   . SER   A 28  ? 0.9073 0.9146 0.4935 0.4264  0.2313  0.1251  71  SER   A N   
284  C CA  . SER   A 28  ? 0.8863 0.8878 0.4766 0.4101  0.1932  0.1108  71  SER   A CA  
285  C C   . SER   A 28  ? 0.8555 0.8809 0.4981 0.4006  0.1847  0.1073  71  SER   A C   
286  O O   . SER   A 28  ? 0.8819 0.9042 0.5195 0.4135  0.1711  0.0975  71  SER   A O   
287  C CB  . SER   A 28  ? 0.8999 0.8762 0.4401 0.4267  0.1718  0.0960  71  SER   A CB  
288  O OG  . SER   A 28  ? 0.9500 0.9090 0.4402 0.4458  0.1834  0.0983  71  SER   A OG  
289  N N   . PRO   A 29  ? 0.8310 0.8816 0.5265 0.3813  0.1943  0.1150  72  PRO   A N   
290  C CA  . PRO   A 29  ? 0.8177 0.8961 0.5662 0.3769  0.1882  0.1119  72  PRO   A CA  
291  C C   . PRO   A 29  ? 0.7982 0.8721 0.5495 0.3628  0.1508  0.1018  72  PRO   A C   
292  O O   . PRO   A 29  ? 0.7704 0.8295 0.5032 0.3455  0.1360  0.1001  72  PRO   A O   
293  C CB  . PRO   A 29  ? 0.8059 0.9102 0.6072 0.3598  0.2105  0.1216  72  PRO   A CB  
294  C CG  . PRO   A 29  ? 0.7980 0.8830 0.5753 0.3434  0.2097  0.1257  72  PRO   A CG  
295  C CD  . PRO   A 29  ? 0.8261 0.8792 0.5357 0.3628  0.2087  0.1251  72  PRO   A CD  
296  N N   . ARG   A 30  ? 0.8116 0.8961 0.5829 0.3723  0.1377  0.0962  73  ARG   A N   
297  C CA  . ARG   A 30  ? 0.8179 0.9009 0.5977 0.3615  0.1044  0.0900  73  ARG   A CA  
298  C C   . ARG   A 30  ? 0.7766 0.8956 0.6161 0.3464  0.1015  0.0917  73  ARG   A C   
299  O O   . ARG   A 30  ? 0.7593 0.9058 0.6413 0.3579  0.1116  0.0920  73  ARG   A O   
300  C CB  . ARG   A 30  ? 0.8702 0.9402 0.6357 0.3828  0.0902  0.0835  73  ARG   A CB  
301  C CG  . ARG   A 30  ? 0.9276 0.9590 0.6355 0.3926  0.0835  0.0773  73  ARG   A CG  
302  C CD  . ARG   A 30  ? 0.9958 1.0142 0.6911 0.4192  0.0803  0.0696  73  ARG   A CD  
303  N NE  . ARG   A 30  ? 1.0526 1.0393 0.6967 0.4324  0.0812  0.0611  73  ARG   A NE  
304  C CZ  . ARG   A 30  ? 1.0794 1.0350 0.6913 0.4251  0.0599  0.0536  73  ARG   A CZ  
305  N NH1 . ARG   A 30  ? 1.0647 1.0140 0.6852 0.4046  0.0389  0.0561  73  ARG   A NH1 
306  N NH2 . ARG   A 30  ? 1.0821 1.0135 0.6535 0.4384  0.0603  0.0431  73  ARG   A NH2 
307  N N   . LEU   A 31  ? 0.7483 0.8679 0.5919 0.3218  0.0881  0.0910  74  LEU   A N   
308  C CA  . LEU   A 31  ? 0.7211 0.8739 0.6193 0.3046  0.0827  0.0892  74  LEU   A CA  
309  C C   . LEU   A 31  ? 0.7071 0.8561 0.5976 0.2945  0.0469  0.0836  74  LEU   A C   
310  O O   . LEU   A 31  ? 0.7084 0.8278 0.5530 0.2861  0.0343  0.0831  74  LEU   A O   
311  C CB  . LEU   A 31  ? 0.7092 0.8639 0.6161 0.2854  0.1013  0.0923  74  LEU   A CB  
312  C CG  . LEU   A 31  ? 0.7193 0.8761 0.6329 0.2949  0.1391  0.1013  74  LEU   A CG  
313  C CD1 . LEU   A 31  ? 0.7102 0.8619 0.6286 0.2754  0.1547  0.1056  74  LEU   A CD1 
314  C CD2 . LEU   A 31  ? 0.7217 0.9134 0.6929 0.3049  0.1568  0.1028  74  LEU   A CD2 
315  N N   . ASP   A 32  ? 0.6949 0.8734 0.6291 0.2962  0.0318  0.0797  75  ASP   A N   
316  C CA  . ASP   A 32  ? 0.6884 0.8685 0.6189 0.2867  -0.0021 0.0752  75  ASP   A CA  
317  C C   . ASP   A 32  ? 0.6555 0.8493 0.6036 0.2608  -0.0046 0.0697  75  ASP   A C   
318  O O   . ASP   A 32  ? 0.6412 0.8696 0.6466 0.2542  0.0056  0.0653  75  ASP   A O   
319  C CB  . ASP   A 32  ? 0.7059 0.9160 0.6795 0.3008  -0.0193 0.0720  75  ASP   A CB  
320  C CG  . ASP   A 32  ? 0.7330 0.9257 0.6866 0.3269  -0.0245 0.0759  75  ASP   A CG  
321  O OD1 . ASP   A 32  ? 0.7518 0.9036 0.6485 0.3289  -0.0333 0.0795  75  ASP   A OD1 
322  O OD2 . ASP   A 32  ? 0.7489 0.9698 0.7479 0.3441  -0.0207 0.0740  75  ASP   A OD2 
323  N N   . VAL   A 33  ? 0.6437 0.8117 0.5475 0.2465  -0.0172 0.0688  76  VAL   A N   
324  C CA  . VAL   A 33  ? 0.6269 0.8020 0.5403 0.2221  -0.0168 0.0621  76  VAL   A CA  
325  C C   . VAL   A 33  ? 0.6319 0.7995 0.5178 0.2126  -0.0478 0.0568  76  VAL   A C   
326  O O   . VAL   A 33  ? 0.6423 0.7874 0.4881 0.2229  -0.0645 0.0622  76  VAL   A O   
327  C CB  . VAL   A 33  ? 0.6157 0.7675 0.5036 0.2131  0.0075  0.0658  76  VAL   A CB  
328  C CG1 . VAL   A 33  ? 0.6179 0.7691 0.5149 0.2284  0.0364  0.0738  76  VAL   A CG1 
329  C CG2 . VAL   A 33  ? 0.6208 0.7356 0.4474 0.2098  -0.0018 0.0678  76  VAL   A CG2 
330  N N   . ALA   A 34  ? 0.6197 0.8038 0.5263 0.1937  -0.0535 0.0464  77  ALA   A N   
331  C CA  . ALA   A 34  ? 0.6272 0.8067 0.5070 0.1823  -0.0801 0.0388  77  ALA   A CA  
332  C C   . ALA   A 34  ? 0.6102 0.7754 0.4733 0.1612  -0.0674 0.0331  77  ALA   A C   
333  O O   . ALA   A 34  ? 0.5916 0.7668 0.4897 0.1530  -0.0448 0.0304  77  ALA   A O   
334  C CB  . ALA   A 34  ? 0.6345 0.8524 0.5608 0.1821  -0.1026 0.0272  77  ALA   A CB  
335  N N   . LEU   A 35  ? 0.6164 0.7568 0.4271 0.1539  -0.0793 0.0324  78  LEU   A N   
336  C CA  . LEU   A 35  ? 0.6054 0.7313 0.3970 0.1350  -0.0688 0.0256  78  LEU   A CA  
337  C C   . LEU   A 35  ? 0.6232 0.7588 0.4061 0.1234  -0.0920 0.0115  78  LEU   A C   
338  O O   . LEU   A 35  ? 0.6523 0.7771 0.3944 0.1298  -0.1135 0.0150  78  LEU   A O   
339  C CB  . LEU   A 35  ? 0.6062 0.6953 0.3446 0.1371  -0.0596 0.0358  78  LEU   A CB  
340  C CG  . LEU   A 35  ? 0.6007 0.6733 0.3162 0.1201  -0.0489 0.0295  78  LEU   A CG  
341  C CD1 . LEU   A 35  ? 0.5779 0.6602 0.3309 0.1117  -0.0273 0.0242  78  LEU   A CD1 
342  C CD2 . LEU   A 35  ? 0.6041 0.6445 0.2737 0.1225  -0.0423 0.0383  78  LEU   A CD2 
343  N N   . ASP   A 36  ? 0.6071 0.7618 0.4274 0.1083  -0.0881 -0.0037 79  ASP   A N   
344  C CA  . ASP   A 36  ? 0.6246 0.7924 0.4430 0.0969  -0.1106 -0.0223 79  ASP   A CA  
345  C C   . ASP   A 36  ? 0.6327 0.7723 0.4002 0.0844  -0.1045 -0.0266 79  ASP   A C   
346  O O   . ASP   A 36  ? 0.6074 0.7230 0.3560 0.0826  -0.0812 -0.0168 79  ASP   A O   
347  C CB  . ASP   A 36  ? 0.6134 0.8159 0.5030 0.0867  -0.1108 -0.0394 79  ASP   A CB  
348  C CG  . ASP   A 36  ? 0.5960 0.7933 0.5133 0.0688  -0.0847 -0.0478 79  ASP   A CG  
349  O OD1 . ASP   A 36  ? 0.5888 0.7568 0.4692 0.0648  -0.0671 -0.0413 79  ASP   A OD1 
350  O OD2 . ASP   A 36  ? 0.5935 0.8168 0.5734 0.0592  -0.0825 -0.0612 79  ASP   A OD2 
351  N N   . GLU   A 37  ? 0.6616 0.8051 0.4070 0.0770  -0.1254 -0.0419 80  GLU   A N   
352  C CA  . GLU   A 37  ? 0.6826 0.8001 0.3735 0.0670  -0.1209 -0.0466 80  GLU   A CA  
353  C C   . GLU   A 37  ? 0.6572 0.7694 0.3738 0.0516  -0.0947 -0.0560 80  GLU   A C   
354  O O   . GLU   A 37  ? 0.6601 0.7476 0.3394 0.0461  -0.0803 -0.0538 80  GLU   A O   
355  C CB  . GLU   A 37  ? 0.7271 0.8520 0.3863 0.0663  -0.1509 -0.0612 80  GLU   A CB  
356  C CG  . GLU   A 37  ? 0.7600 0.8589 0.3583 0.0576  -0.1456 -0.0662 80  GLU   A CG  
357  C CD  . GLU   A 37  ? 0.8100 0.9184 0.3799 0.0556  -0.1733 -0.0860 80  GLU   A CD  
358  O OE1 . GLU   A 37  ? 0.8140 0.9385 0.4146 0.0431  -0.1764 -0.1109 80  GLU   A OE1 
359  O OE2 . GLU   A 37  ? 0.8590 0.9585 0.3770 0.0676  -0.1931 -0.0770 80  GLU   A OE2 
360  N N   . SER   A 38  ? 0.6372 0.7704 0.4176 0.0458  -0.0864 -0.0642 81  SER   A N   
361  C CA  . SER   A 38  ? 0.6207 0.7465 0.4304 0.0331  -0.0603 -0.0704 81  SER   A CA  
362  C C   . SER   A 38  ? 0.5946 0.7047 0.4079 0.0414  -0.0333 -0.0492 81  SER   A C   
363  O O   . SER   A 38  ? 0.5808 0.6841 0.4203 0.0347  -0.0108 -0.0500 81  SER   A O   
364  C CB  . SER   A 38  ? 0.6201 0.7716 0.4967 0.0227  -0.0616 -0.0873 81  SER   A CB  
365  O OG  . SER   A 38  ? 0.6516 0.8157 0.5238 0.0139  -0.0867 -0.1116 81  SER   A OG  
366  N N   . GLY   A 39  ? 0.5913 0.6938 0.3778 0.0563  -0.0356 -0.0311 82  GLY   A N   
367  C CA  . GLY   A 39  ? 0.5736 0.6603 0.3562 0.0661  -0.0134 -0.0134 82  GLY   A CA  
368  C C   . GLY   A 39  ? 0.5597 0.6620 0.3931 0.0729  0.0013  -0.0058 82  GLY   A C   
369  O O   . GLY   A 39  ? 0.5447 0.6330 0.3733 0.0812  0.0215  0.0072  82  GLY   A O   
370  N N   . ASP   A 40  ? 0.5687 0.6994 0.4471 0.0712  -0.0084 -0.0131 83  ASP   A N   
371  C CA  . ASP   A 40  ? 0.5648 0.7152 0.4980 0.0771  0.0066  -0.0063 83  ASP   A CA  
372  C C   . ASP   A 40  ? 0.5694 0.7277 0.4948 0.0965  -0.0020 0.0058  83  ASP   A C   
373  O O   . ASP   A 40  ? 0.5811 0.7543 0.5038 0.1001  -0.0286 0.0000  83  ASP   A O   
374  C CB  . ASP   A 40  ? 0.5722 0.7526 0.5679 0.0639  0.0008  -0.0231 83  ASP   A CB  
375  C CG  . ASP   A 40  ? 0.5831 0.7551 0.5905 0.0443  0.0074  -0.0387 83  ASP   A CG  
376  O OD1 . ASP   A 40  ? 0.5738 0.7253 0.5812 0.0416  0.0336  -0.0309 83  ASP   A OD1 
377  O OD2 . ASP   A 40  ? 0.6103 0.7946 0.6226 0.0333  -0.0152 -0.0592 83  ASP   A OD2 
378  N N   . PHE   A 41  ? 0.5626 0.7106 0.4836 0.1101  0.0188  0.0218  84  PHE   A N   
379  C CA  . PHE   A 41  ? 0.5669 0.7235 0.4902 0.1300  0.0160  0.0323  84  PHE   A CA  
380  C C   . PHE   A 41  ? 0.5756 0.7681 0.5667 0.1305  0.0209  0.0287  84  PHE   A C   
381  O O   . PHE   A 41  ? 0.5831 0.7840 0.6151 0.1182  0.0396  0.0250  84  PHE   A O   
382  C CB  . PHE   A 41  ? 0.5514 0.6853 0.4469 0.1448  0.0375  0.0475  84  PHE   A CB  
383  C CG  . PHE   A 41  ? 0.5479 0.6505 0.3828 0.1482  0.0303  0.0510  84  PHE   A CG  
384  C CD1 . PHE   A 41  ? 0.5541 0.6483 0.3584 0.1578  0.0110  0.0534  84  PHE   A CD1 
385  C CD2 . PHE   A 41  ? 0.5366 0.6174 0.3487 0.1425  0.0444  0.0525  84  PHE   A CD2 
386  C CE1 . PHE   A 41  ? 0.5588 0.6242 0.3141 0.1589  0.0068  0.0562  84  PHE   A CE1 
387  C CE2 . PHE   A 41  ? 0.5402 0.5960 0.3047 0.1449  0.0380  0.0541  84  PHE   A CE2 
388  C CZ  . PHE   A 41  ? 0.5489 0.5970 0.2866 0.1522  0.0204  0.0559  84  PHE   A CZ  
389  N N   . SER   A 42  ? 0.5943 0.8065 0.6001 0.1443  0.0057  0.0296  85  SER   A N   
390  C CA  . SER   A 42  ? 0.6060 0.8570 0.6826 0.1471  0.0104  0.0258  85  SER   A CA  
391  C C   . SER   A 42  ? 0.6230 0.8801 0.6980 0.1716  0.0102  0.0362  85  SER   A C   
392  O O   . SER   A 42  ? 0.6279 0.8626 0.6496 0.1837  -0.0057 0.0416  85  SER   A O   
393  C CB  . SER   A 42  ? 0.6180 0.8983 0.7313 0.1346  -0.0174 0.0069  85  SER   A CB  
394  O OG  . SER   A 42  ? 0.6329 0.9076 0.7032 0.1425  -0.0519 0.0040  85  SER   A OG  
395  N N   . LEU   A 43  ? 0.6393 0.9232 0.7709 0.1786  0.0302  0.0390  86  LEU   A N   
396  C CA  . LEU   A 43  ? 0.6621 0.9557 0.8004 0.2032  0.0333  0.0469  86  LEU   A CA  
397  C C   . LEU   A 43  ? 0.6762 0.9984 0.8411 0.2102  -0.0012 0.0370  86  LEU   A C   
398  O O   . LEU   A 43  ? 0.6688 1.0282 0.8966 0.1997  -0.0092 0.0245  86  LEU   A O   
399  C CB  . LEU   A 43  ? 0.6672 0.9809 0.8587 0.2079  0.0709  0.0534  86  LEU   A CB  
400  C CG  . LEU   A 43  ? 0.6765 0.9588 0.8324 0.2098  0.1061  0.0674  86  LEU   A CG  
401  C CD1 . LEU   A 43  ? 0.6925 0.9941 0.8979 0.2164  0.1451  0.0760  86  LEU   A CD1 
402  C CD2 . LEU   A 43  ? 0.6887 0.9351 0.7697 0.2283  0.1005  0.0756  86  LEU   A CD2 
403  N N   . VAL   A 44  ? 0.7088 1.0130 0.8283 0.2282  -0.0209 0.0423  87  VAL   A N   
404  C CA  . VAL   A 44  ? 0.7430 1.0706 0.8850 0.2454  -0.0488 0.0385  87  VAL   A CA  
405  C C   . VAL   A 44  ? 0.7650 1.1125 0.9492 0.2650  -0.0249 0.0438  87  VAL   A C   
406  O O   . VAL   A 44  ? 0.7845 1.1123 0.9495 0.2692  0.0076  0.0534  87  VAL   A O   
407  C CB  . VAL   A 44  ? 0.7571 1.0490 0.8288 0.2568  -0.0752 0.0447  87  VAL   A CB  
408  C CG1 . VAL   A 44  ? 0.7752 1.0873 0.8655 0.2749  -0.1073 0.0419  87  VAL   A CG1 
409  C CG2 . VAL   A 44  ? 0.7538 1.0187 0.7737 0.2374  -0.0880 0.0424  87  VAL   A CG2 
410  N N   . GLU   A 45  ? 0.8029 1.1881 1.0413 0.2780  -0.0399 0.0375  88  GLU   A N   
411  C CA  . GLU   A 45  ? 0.8254 1.2362 1.1141 0.2971  -0.0156 0.0406  88  GLU   A CA  
412  C C   . GLU   A 45  ? 0.8428 1.2711 1.1483 0.3214  -0.0449 0.0375  88  GLU   A C   
413  O O   . GLU   A 45  ? 0.8602 1.2716 1.1251 0.3248  -0.0824 0.0366  88  GLU   A O   
414  C CB  . GLU   A 45  ? 0.8273 1.2808 1.1989 0.2816  0.0090  0.0336  88  GLU   A CB  
415  C CG  . GLU   A 45  ? 0.8282 1.2595 1.1830 0.2638  0.0460  0.0411  88  GLU   A CG  
416  C CD  . GLU   A 45  ? 0.8378 1.2524 1.1746 0.2799  0.0874  0.0554  88  GLU   A CD  
417  O OE1 . GLU   A 45  ? 0.8534 1.2741 1.1919 0.3049  0.0885  0.0580  88  GLU   A OE1 
418  O OE2 . GLU   A 45  ? 0.8457 1.2408 1.1657 0.2688  0.1181  0.0636  88  GLU   A OE2 
419  N N   . GLY   B 7   ? 0.8658 0.9153 0.5561 0.1160  0.0776  -0.1395 16  GLY   B N   
420  C CA  . GLY   B 7   ? 0.8705 0.9044 0.5477 0.1225  0.0779  -0.1266 16  GLY   B CA  
421  C C   . GLY   B 7   ? 0.8615 0.8973 0.5348 0.1302  0.0720  -0.1286 16  GLY   B C   
422  O O   . GLY   B 7   ? 0.8750 0.9238 0.5575 0.1275  0.0676  -0.1399 16  GLY   B O   
423  N N   . GLU   B 8   ? 0.8471 0.8711 0.5079 0.1395  0.0719  -0.1183 17  GLU   B N   
424  C CA  . GLU   B 8   ? 0.8357 0.8597 0.4899 0.1489  0.0658  -0.1196 17  GLU   B CA  
425  C C   . GLU   B 8   ? 0.8112 0.8362 0.4679 0.1352  0.0658  -0.1188 17  GLU   B C   
426  O O   . GLU   B 8   ? 0.8110 0.8281 0.4635 0.1270  0.0711  -0.1084 17  GLU   B O   
427  C CB  . GLU   B 8   ? 0.8522 0.8634 0.4906 0.1643  0.0668  -0.1080 17  GLU   B CB  
428  C CG  . GLU   B 8   ? 0.8712 0.8836 0.5015 0.1791  0.0589  -0.1124 17  GLU   B CG  
429  C CD  . GLU   B 8   ? 0.8872 0.8884 0.5006 0.1978  0.0602  -0.1019 17  GLU   B CD  
430  O OE1 . GLU   B 8   ? 0.8802 0.8717 0.4889 0.1959  0.0684  -0.0885 17  GLU   B OE1 
431  O OE2 . GLU   B 8   ? 0.9353 0.9378 0.5407 0.2144  0.0531  -0.1074 17  GLU   B OE2 
432  N N   A THR   B 9   ? 0.8053 0.8394 0.4692 0.1323  0.0597  -0.1298 18  THR   B N   
433  N N   B THR   B 9   ? 0.8022 0.8363 0.4658 0.1332  0.0594  -0.1300 18  THR   B N   
434  N N   C THR   B 9   ? 0.8049 0.8389 0.4686 0.1328  0.0595  -0.1298 18  THR   B N   
435  N N   D THR   B 9   ? 0.8049 0.8389 0.4686 0.1328  0.0595  -0.1298 18  THR   B N   
436  C CA  A THR   B 9   ? 0.7964 0.8297 0.4622 0.1197  0.0588  -0.1301 18  THR   B CA  
437  C CA  B THR   B 9   ? 0.7910 0.8261 0.4586 0.1196  0.0583  -0.1319 18  THR   B CA  
438  C CA  C THR   B 9   ? 0.7955 0.8295 0.4621 0.1195  0.0587  -0.1307 18  THR   B CA  
439  C CA  D THR   B 9   ? 0.7955 0.8295 0.4621 0.1195  0.0587  -0.1307 18  THR   B CA  
440  C C   A THR   B 9   ? 0.7959 0.8289 0.4577 0.1295  0.0496  -0.1360 18  THR   B C   
441  C C   B THR   B 9   ? 0.7930 0.8229 0.4518 0.1294  0.0507  -0.1327 18  THR   B C   
442  C C   C THR   B 9   ? 0.7958 0.8277 0.4566 0.1293  0.0500  -0.1348 18  THR   B C   
443  C C   D THR   B 9   ? 0.7958 0.8277 0.4566 0.1293  0.0500  -0.1348 18  THR   B C   
444  O O   A THR   B 9   ? 0.7965 0.8331 0.4657 0.1197  0.0460  -0.1429 18  THR   B O   
445  O O   B THR   B 9   ? 0.7934 0.8196 0.4517 0.1200  0.0496  -0.1320 18  THR   B O   
446  O O   C THR   B 9   ? 0.7978 0.8303 0.4630 0.1193  0.0472  -0.1390 18  THR   B O   
447  O O   D THR   B 9   ? 0.7978 0.8303 0.4630 0.1193  0.0472  -0.1390 18  THR   B O   
448  C CB  A THR   B 9   ? 0.7909 0.8350 0.4720 0.1024  0.0614  -0.1380 18  THR   B CB  
449  C CB  B THR   B 9   ? 0.7845 0.8343 0.4694 0.1079  0.0573  -0.1448 18  THR   B CB  
450  C CB  C THR   B 9   ? 0.7901 0.8365 0.4730 0.1040  0.0603  -0.1405 18  THR   B CB  
451  C CB  D THR   B 9   ? 0.7901 0.8365 0.4730 0.1040  0.0603  -0.1405 18  THR   B CB  
452  O OG1 A THR   B 9   ? 0.7897 0.8315 0.4711 0.0938  0.0695  -0.1315 18  THR   B OG1 
453  O OG1 B THR   B 9   ? 0.7880 0.8473 0.4787 0.1189  0.0488  -0.1567 18  THR   B OG1 
454  O OG1 C THR   B 9   ? 0.7937 0.8533 0.4867 0.1115  0.0551  -0.1532 18  THR   B OG1 
455  O OG1 D THR   B 9   ? 0.7937 0.8533 0.4867 0.1115  0.0551  -0.1532 18  THR   B OG1 
456  C CG2 A THR   B 9   ? 0.7918 0.8339 0.4746 0.0906  0.0598  -0.1393 18  THR   B CG2 
457  C CG2 B THR   B 9   ? 0.7777 0.8344 0.4708 0.1009  0.0639  -0.1459 18  THR   B CG2 
458  C CG2 C THR   B 9   ? 0.7851 0.8318 0.4712 0.0928  0.0689  -0.1357 18  THR   B CG2 
459  C CG2 D THR   B 9   ? 0.7851 0.8318 0.4712 0.0928  0.0689  -0.1357 18  THR   B CG2 
460  N N   . THR   B 10  ? 0.7971 0.8254 0.4474 0.1486  0.0457  -0.1335 19  THR   B N   
461  C CA  . THR   B 10  ? 0.7889 0.8143 0.4308 0.1613  0.0366  -0.1374 19  THR   B CA  
462  C C   . THR   B 10  ? 0.7656 0.7788 0.3951 0.1590  0.0385  -0.1264 19  THR   B C   
463  O O   . THR   B 10  ? 0.7661 0.7718 0.3863 0.1616  0.0459  -0.1129 19  THR   B O   
464  C CB  . THR   B 10  ? 0.7970 0.8207 0.4278 0.1843  0.0329  -0.1374 19  THR   B CB  
465  O OG1 . THR   B 10  ? 0.7989 0.8316 0.4383 0.1877  0.0331  -0.1445 19  THR   B OG1 
466  C CG2 . THR   B 10  ? 0.8053 0.8298 0.4303 0.1985  0.0213  -0.1464 19  THR   B CG2 
467  N N   . ASP   B 11  ? 0.7510 0.7620 0.3807 0.1544  0.0322  -0.1318 20  ASP   B N   
468  C CA  . ASP   B 11  ? 0.7469 0.7459 0.3619 0.1572  0.0319  -0.1225 20  ASP   B CA  
469  C C   . ASP   B 11  ? 0.7475 0.7407 0.3457 0.1767  0.0338  -0.1121 20  ASP   B C   
470  O O   . ASP   B 11  ? 0.7505 0.7472 0.3459 0.1922  0.0304  -0.1161 20  ASP   B O   
471  C CB  . ASP   B 11  ? 0.7570 0.7525 0.3709 0.1577  0.0216  -0.1317 20  ASP   B CB  
472  C CG  . ASP   B 11  ? 0.7542 0.7513 0.3820 0.1364  0.0216  -0.1382 20  ASP   B CG  
473  O OD1 . ASP   B 11  ? 0.7382 0.7415 0.3774 0.1218  0.0295  -0.1370 20  ASP   B OD1 
474  O OD2 . ASP   B 11  ? 0.7672 0.7582 0.3935 0.1347  0.0139  -0.1440 20  ASP   B OD2 
475  N N   . GLY   B 12  ? 0.7334 0.7188 0.3214 0.1758  0.0396  -0.0989 21  GLY   B N   
476  C CA  . GLY   B 12  ? 0.7346 0.7148 0.3067 0.1930  0.0427  -0.0872 21  GLY   B CA  
477  C C   . GLY   B 12  ? 0.7186 0.6957 0.2895 0.1848  0.0530  -0.0728 21  GLY   B C   
478  O O   . GLY   B 12  ? 0.7031 0.6806 0.2829 0.1665  0.0560  -0.0730 21  GLY   B O   
479  N N   . VAL   B 13  ? 0.7155 0.6899 0.2757 0.1980  0.0582  -0.0610 22  VAL   B N   
480  C CA  . VAL   B 13  ? 0.7044 0.6774 0.2641 0.1929  0.0682  -0.0464 22  VAL   B CA  
481  C C   . VAL   B 13  ? 0.7008 0.6748 0.2672 0.1923  0.0755  -0.0415 22  VAL   B C   
482  O O   . VAL   B 13  ? 0.7119 0.6859 0.2756 0.2041  0.0732  -0.0458 22  VAL   B O   
483  C CB  . VAL   B 13  ? 0.7132 0.6834 0.2572 0.2079  0.0696  -0.0362 22  VAL   B CB  
484  C CG1 . VAL   B 13  ? 0.7279 0.6968 0.2591 0.2306  0.0684  -0.0343 22  VAL   B CG1 
485  C CG2 . VAL   B 13  ? 0.7063 0.6777 0.2529 0.2016  0.0796  -0.0220 22  VAL   B CG2 
486  N N   . TYR   B 14  ? 0.6889 0.6636 0.2654 0.1773  0.0829  -0.0350 23  TYR   B N   
487  C CA  . TYR   B 14  ? 0.6860 0.6601 0.2712 0.1729  0.0892  -0.0317 23  TYR   B CA  
488  C C   . TYR   B 14  ? 0.6838 0.6564 0.2707 0.1693  0.0981  -0.0173 23  TYR   B C   
489  O O   . TYR   B 14  ? 0.6785 0.6531 0.2650 0.1632  0.0989  -0.0131 23  TYR   B O   
490  C CB  . TYR   B 14  ? 0.6737 0.6514 0.2721 0.1566  0.0873  -0.0420 23  TYR   B CB  
491  C CG  . TYR   B 14  ? 0.6764 0.6578 0.2764 0.1607  0.0798  -0.0559 23  TYR   B CG  
492  C CD1 . TYR   B 14  ? 0.6796 0.6628 0.2753 0.1640  0.0718  -0.0642 23  TYR   B CD1 
493  C CD2 . TYR   B 14  ? 0.6788 0.6621 0.2854 0.1616  0.0803  -0.0613 23  TYR   B CD2 
494  C CE1 . TYR   B 14  ? 0.6833 0.6719 0.2839 0.1666  0.0646  -0.0779 23  TYR   B CE1 
495  C CE2 . TYR   B 14  ? 0.6825 0.6719 0.2930 0.1652  0.0733  -0.0750 23  TYR   B CE2 
496  C CZ  . TYR   B 14  ? 0.6860 0.6787 0.2942 0.1676  0.0655  -0.0833 23  TYR   B CZ  
497  O OH  . TYR   B 14  ? 0.6940 0.6946 0.3089 0.1701  0.0585  -0.0973 23  TYR   B OH  
498  N N   . ARG   B 15  ? 0.6884 0.6575 0.2779 0.1725  0.1047  -0.0097 24  ARG   B N   
499  C CA  . ARG   B 15  ? 0.6899 0.6581 0.2864 0.1657  0.1137  0.0030  24  ARG   B CA  
500  C C   . ARG   B 15  ? 0.6825 0.6514 0.2940 0.1471  0.1142  -0.0019 24  ARG   B C   
501  O O   . ARG   B 15  ? 0.6725 0.6407 0.2880 0.1435  0.1105  -0.0121 24  ARG   B O   
502  C CB  . ARG   B 15  ? 0.7057 0.6675 0.2983 0.1771  0.1207  0.0135  24  ARG   B CB  
503  C CG  . ARG   B 15  ? 0.7202 0.6807 0.2957 0.1977  0.1211  0.0194  24  ARG   B CG  
504  C CD  . ARG   B 15  ? 0.7395 0.6916 0.3098 0.2091  0.1278  0.0284  24  ARG   B CD  
505  N NE  . ARG   B 15  ? 0.7548 0.7051 0.3061 0.2312  0.1270  0.0318  24  ARG   B NE  
506  C CZ  . ARG   B 15  ? 0.7639 0.7157 0.3060 0.2414  0.1332  0.0445  24  ARG   B CZ  
507  N NH1 . ARG   B 15  ? 0.7564 0.7128 0.3086 0.2309  0.1411  0.0552  24  ARG   B NH1 
508  N NH2 . ARG   B 15  ? 0.7808 0.7306 0.3037 0.2630  0.1314  0.0460  24  ARG   B NH2 
509  N N   . VAL   B 16  ? 0.6838 0.6549 0.3033 0.1368  0.1187  0.0052  25  VAL   B N   
510  C CA  . VAL   B 16  ? 0.6811 0.6527 0.3144 0.1202  0.1195  0.0018  25  VAL   B CA  
511  C C   . VAL   B 16  ? 0.6917 0.6594 0.3343 0.1175  0.1270  0.0123  25  VAL   B C   
512  O O   . VAL   B 16  ? 0.6920 0.6632 0.3374 0.1171  0.1317  0.0225  25  VAL   B O   
513  C CB  . VAL   B 16  ? 0.6738 0.6511 0.3089 0.1099  0.1168  -0.0007 25  VAL   B CB  
514  C CG1 . VAL   B 16  ? 0.6657 0.6433 0.3115 0.0949  0.1157  -0.0075 25  VAL   B CG1 
515  C CG2 . VAL   B 16  ? 0.6731 0.6521 0.2972 0.1145  0.1104  -0.0079 25  VAL   B CG2 
516  N N   . MET   B 17  ? 0.7077 0.6686 0.3558 0.1149  0.1276  0.0089  26  MET   B N   
517  C CA  . MET   B 17  ? 0.7306 0.6835 0.3859 0.1145  0.1341  0.0180  26  MET   B CA  
518  C C   . MET   B 17  ? 0.7393 0.6907 0.4093 0.0987  0.1333  0.0135  26  MET   B C   
519  O O   . MET   B 17  ? 0.7214 0.6757 0.3924 0.0920  0.1275  0.0013  26  MET   B O   
520  C CB  . MET   B 17  ? 0.7452 0.6885 0.3926 0.1262  0.1341  0.0164  26  MET   B CB  
521  C CG  . MET   B 17  ? 0.7534 0.6973 0.3846 0.1439  0.1331  0.0180  26  MET   B CG  
522  S SD  . MET   B 17  ? 0.7657 0.7113 0.3892 0.1550  0.1412  0.0356  26  MET   B SD  
523  C CE  . MET   B 17  ? 0.7782 0.7127 0.4123 0.1501  0.1512  0.0487  26  MET   B CE  
524  N N   . THR   B 18  ? 0.7641 0.7106 0.4449 0.0936  0.1390  0.0227  27  THR   B N   
525  C CA  . THR   B 18  ? 0.7908 0.7321 0.4855 0.0808  0.1379  0.0186  27  THR   B CA  
526  C C   . THR   B 18  ? 0.8278 0.7551 0.5271 0.0832  0.1435  0.0270  27  THR   B C   
527  O O   . THR   B 18  ? 0.8293 0.7545 0.5269 0.0899  0.1508  0.0402  27  THR   B O   
528  C CB  . THR   B 18  ? 0.7821 0.7321 0.4895 0.0683  0.1377  0.0201  27  THR   B CB  
529  O OG1 . THR   B 18  ? 0.7844 0.7289 0.5029 0.0574  0.1345  0.0130  27  THR   B OG1 
530  C CG2 . THR   B 18  ? 0.7848 0.7381 0.4996 0.0689  0.1451  0.0347  27  THR   B CG2 
531  N N   . ARG   B 19  ? 0.8629 0.7807 0.5678 0.0777  0.1405  0.0197  28  ARG   B N   
532  C CA  . ARG   B 19  ? 0.9098 0.8114 0.6213 0.0768  0.1448  0.0265  28  ARG   B CA  
533  C C   . ARG   B 19  ? 0.9144 0.8150 0.6453 0.0610  0.1443  0.0265  28  ARG   B C   
534  O O   . ARG   B 19  ? 0.9276 0.8134 0.6661 0.0579  0.1466  0.0303  28  ARG   B O   
535  C CB  . ARG   B 19  ? 0.9407 0.8306 0.6433 0.0841  0.1409  0.0177  28  ARG   B CB  
536  C CG  . ARG   B 19  ? 0.9580 0.8487 0.6429 0.1007  0.1411  0.0178  28  ARG   B CG  
537  C CD  . ARG   B 19  ? 0.9934 0.8663 0.6697 0.1121  0.1435  0.0215  28  ARG   B CD  
538  N NE  . ARG   B 19  ? 1.0104 0.8858 0.6697 0.1287  0.1413  0.0181  28  ARG   B NE  
539  C CZ  . ARG   B 19  ? 1.0140 0.8965 0.6682 0.1325  0.1337  0.0034  28  ARG   B CZ  
540  N NH1 . ARG   B 19  ? 1.0164 0.9041 0.6796 0.1214  0.1284  -0.0085 28  ARG   B NH1 
541  N NH2 . ARG   B 19  ? 1.0209 0.9062 0.6613 0.1479  0.1315  0.0006  28  ARG   B NH2 
542  N N   . ARG   B 20  ? 0.9163 0.8313 0.6547 0.0521  0.1414  0.0230  29  ARG   B N   
543  C CA  . ARG   B 20  ? 0.9381 0.8548 0.6946 0.0374  0.1385  0.0197  29  ARG   B CA  
544  C C   . ARG   B 20  ? 0.9380 0.8552 0.7099 0.0324  0.1460  0.0338  29  ARG   B C   
545  O O   . ARG   B 20  ? 0.9520 0.8672 0.7419 0.0206  0.1443  0.0326  29  ARG   B O   
546  C CB  . ARG   B 20  ? 0.9431 0.8751 0.6987 0.0320  0.1324  0.0104  29  ARG   B CB  
547  C CG  . ARG   B 20  ? 0.9671 0.8998 0.7360 0.0196  0.1263  0.0016  29  ARG   B CG  
548  C CD  . ARG   B 20  ? 0.9778 0.9255 0.7442 0.0157  0.1216  -0.0046 29  ARG   B CD  
549  N NE  . ARG   B 20  ? 0.9854 0.9445 0.7474 0.0204  0.1257  0.0041  29  ARG   B NE  
550  C CZ  . ARG   B 20  ? 1.0035 0.9705 0.7777 0.0172  0.1295  0.0134  29  ARG   B CZ  
551  N NH1 . ARG   B 20  ? 1.0143 0.9795 0.8080 0.0079  0.1298  0.0154  29  ARG   B NH1 
552  N NH2 . ARG   B 20  ? 1.0107 0.9881 0.7781 0.0234  0.1328  0.0204  29  ARG   B NH2 
553  N N   . LEU   B 21  ? 0.9195 0.8401 0.6850 0.0414  0.1538  0.0465  30  LEU   B N   
554  C CA  . LEU   B 21  ? 0.9124 0.8349 0.6912 0.0386  0.1633  0.0622  30  LEU   B CA  
555  C C   . LEU   B 21  ? 0.9138 0.8184 0.6857 0.0473  0.1711  0.0729  30  LEU   B C   
556  O O   . LEU   B 21  ? 0.9135 0.8043 0.6734 0.0534  0.1673  0.0660  30  LEU   B O   
557  C CB  . LEU   B 21  ? 0.9048 0.8459 0.6791 0.0439  0.1664  0.0682  30  LEU   B CB  
558  C CG  . LEU   B 21  ? 0.8984 0.8566 0.6861 0.0334  0.1618  0.0632  30  LEU   B CG  
559  C CD1 . LEU   B 21  ? 0.8911 0.8478 0.6791 0.0256  0.1508  0.0464  30  LEU   B CD1 
560  C CD2 . LEU   B 21  ? 0.8908 0.8650 0.6678 0.0418  0.1630  0.0666  30  LEU   B CD2 
561  N N   . LEU   B 22  ? 0.9089 0.8138 0.6883 0.0480  0.1820  0.0893  31  LEU   B N   
562  C CA  . LEU   B 22  ? 0.9159 0.8034 0.6864 0.0578  0.1913  0.1024  31  LEU   B CA  
563  C C   . LEU   B 22  ? 0.9076 0.7925 0.6506 0.0764  0.1894  0.0994  31  LEU   B C   
564  O O   . LEU   B 22  ? 0.8931 0.7941 0.6272 0.0821  0.1863  0.0955  31  LEU   B O   
565  C CB  . LEU   B 22  ? 0.9198 0.8141 0.7005 0.0572  0.2043  0.1211  31  LEU   B CB  
566  C CG  . LEU   B 22  ? 0.9455 0.8198 0.7216 0.0636  0.2156  0.1368  31  LEU   B CG  
567  C CD1 . LEU   B 22  ? 0.9579 0.8151 0.7545 0.0484  0.2164  0.1379  31  LEU   B CD1 
568  C CD2 . LEU   B 22  ? 0.9513 0.8363 0.7276 0.0701  0.2293  0.1554  31  LEU   B CD2 
569  N N   . GLY   B 23  ? 0.9140 0.7788 0.6441 0.0855  0.1903  0.1003  32  GLY   B N   
570  C CA  . GLY   B 23  ? 0.9045 0.7659 0.6095 0.1038  0.1872  0.0958  32  GLY   B CA  
571  C C   . GLY   B 23  ? 0.8709 0.7486 0.5695 0.1050  0.1769  0.0802  32  GLY   B C   
572  O O   . GLY   B 23  ? 0.8621 0.7448 0.5717 0.0924  0.1694  0.0682  32  GLY   B O   
573  N N   . SER   B 24  ? 0.8559 0.7401 0.5362 0.1202  0.1764  0.0804  33  SER   B N   
574  C CA  . SER   B 24  ? 0.8253 0.7243 0.4976 0.1233  0.1677  0.0678  33  SER   B CA  
575  C C   . SER   B 24  ? 0.8036 0.7183 0.4763 0.1243  0.1713  0.0752  33  SER   B C   
576  O O   . SER   B 24  ? 0.8104 0.7240 0.4736 0.1366  0.1789  0.0879  33  SER   B O   
577  C CB  . SER   B 24  ? 0.8348 0.7292 0.4873 0.1401  0.1636  0.0617  33  SER   B CB  
578  O OG  . SER   B 24  ? 0.8534 0.7330 0.5049 0.1408  0.1610  0.0558  33  SER   B OG  
579  N N   . THR   B 25  ? 0.7694 0.6975 0.4512 0.1132  0.1662  0.0679  34  THR   B N   
580  C CA  . THR   B 25  ? 0.7548 0.6982 0.4388 0.1129  0.1688  0.0742  34  THR   B CA  
581  C C   . THR   B 25  ? 0.7332 0.6858 0.4051 0.1175  0.1603  0.0630  34  THR   B C   
582  O O   . THR   B 25  ? 0.7207 0.6732 0.3944 0.1101  0.1525  0.0498  34  THR   B O   
583  C CB  . THR   B 25  ? 0.7497 0.6997 0.4558 0.0961  0.1709  0.0770  34  THR   B CB  
584  O OG1 . THR   B 25  ? 0.7680 0.7064 0.4856 0.0915  0.1782  0.0863  34  THR   B OG1 
585  C CG2 . THR   B 25  ? 0.7441 0.7103 0.4537 0.0968  0.1746  0.0847  34  THR   B CG2 
586  N N   . GLN   B 26  ? 0.7251 0.6845 0.3844 0.1300  0.1617  0.0681  35  GLN   B N   
587  C CA  . GLN   B 26  ? 0.7082 0.6753 0.3566 0.1337  0.1533  0.0579  35  GLN   B CA  
588  C C   . GLN   B 26  ? 0.6922 0.6708 0.3507 0.1222  0.1519  0.0573  35  GLN   B C   
589  O O   . GLN   B 26  ? 0.6945 0.6810 0.3566 0.1245  0.1580  0.0683  35  GLN   B O   
590  C CB  . GLN   B 26  ? 0.7145 0.6829 0.3441 0.1526  0.1538  0.0621  35  GLN   B CB  
591  C CG  . GLN   B 26  ? 0.7033 0.6764 0.3221 0.1560  0.1439  0.0500  35  GLN   B CG  
592  C CD  . GLN   B 26  ? 0.7139 0.6863 0.3137 0.1761  0.1430  0.0525  35  GLN   B CD  
593  O OE1 . GLN   B 26  ? 0.7227 0.6875 0.3142 0.1867  0.1432  0.0521  35  GLN   B OE1 
594  N NE2 . GLN   B 26  ? 0.7105 0.6903 0.3027 0.1817  0.1411  0.0540  35  GLN   B NE2 
595  N N   . VAL   B 27  ? 0.6748 0.6546 0.3376 0.1109  0.1444  0.0450  36  VAL   B N   
596  C CA  . VAL   B 27  ? 0.6598 0.6488 0.3304 0.0998  0.1413  0.0419  36  VAL   B CA  
597  C C   . VAL   B 27  ? 0.6501 0.6439 0.3054 0.1076  0.1361  0.0379  36  VAL   B C   
598  O O   . VAL   B 27  ? 0.6436 0.6458 0.3008 0.1038  0.1348  0.0391  36  VAL   B O   
599  C CB  . VAL   B 27  ? 0.6540 0.6400 0.3354 0.0851  0.1370  0.0320  36  VAL   B CB  
600  C CG1 . VAL   B 27  ? 0.6612 0.6426 0.3588 0.0778  0.1420  0.0374  36  VAL   B CG1 
601  C CG2 . VAL   B 27  ? 0.6535 0.6329 0.3266 0.0860  0.1313  0.0201  36  VAL   B CG2 
602  N N   . GLY   B 28  ? 0.6482 0.6368 0.2886 0.1191  0.1328  0.0336  37  GLY   B N   
603  C CA  . GLY   B 28  ? 0.6417 0.6327 0.2667 0.1290  0.1278  0.0308  37  GLY   B CA  
604  C C   . GLY   B 28  ? 0.6401 0.6249 0.2541 0.1367  0.1221  0.0217  37  GLY   B C   
605  O O   . GLY   B 28  ? 0.6481 0.6276 0.2631 0.1406  0.1239  0.0213  37  GLY   B O   
606  N N   . VAL   B 29  ? 0.6329 0.6179 0.2378 0.1380  0.1149  0.0138  38  VAL   B N   
607  C CA  . VAL   B 29  ? 0.6347 0.6159 0.2286 0.1468  0.1079  0.0047  38  VAL   B CA  
608  C C   . VAL   B 29  ? 0.6261 0.6063 0.2201 0.1361  0.1008  -0.0068 38  VAL   B C   
609  O O   . VAL   B 29  ? 0.6178 0.5999 0.2149 0.1260  0.1012  -0.0055 38  VAL   B O   
610  C CB  . VAL   B 29  ? 0.6455 0.6276 0.2249 0.1637  0.1072  0.0105  38  VAL   B CB  
611  C CG1 . VAL   B 29  ? 0.6522 0.6303 0.2198 0.1748  0.0990  0.0009  38  VAL   B CG1 
612  C CG2 . VAL   B 29  ? 0.6533 0.6371 0.2322 0.1737  0.1161  0.0239  38  VAL   B CG2 
613  N N   . GLY   B 30  ? 0.6260 0.6038 0.2163 0.1392  0.0946  -0.0171 39  GLY   B N   
614  C CA  . GLY   B 30  ? 0.6212 0.5974 0.2107 0.1302  0.0883  -0.0273 39  GLY   B CA  
615  C C   . GLY   B 30  ? 0.6275 0.6021 0.2121 0.1379  0.0811  -0.0371 39  GLY   B C   
616  O O   . GLY   B 30  ? 0.6343 0.6092 0.2149 0.1518  0.0806  -0.0366 39  GLY   B O   
617  N N   . VAL   B 31  ? 0.6249 0.5975 0.2097 0.1295  0.0757  -0.0458 40  VAL   B N   
618  C CA  . VAL   B 31  ? 0.6339 0.6049 0.2156 0.1345  0.0674  -0.0566 40  VAL   B CA  
619  C C   . VAL   B 31  ? 0.6318 0.6068 0.2264 0.1216  0.0666  -0.0671 40  VAL   B C   
620  O O   . VAL   B 31  ? 0.6230 0.5972 0.2224 0.1064  0.0693  -0.0675 40  VAL   B O   
621  C CB  . VAL   B 31  ? 0.6406 0.6046 0.2118 0.1353  0.0616  -0.0577 40  VAL   B CB  
622  C CG1 . VAL   B 31  ? 0.6482 0.6097 0.2194 0.1371  0.0523  -0.0704 40  VAL   B CG1 
623  C CG2 . VAL   B 31  ? 0.6473 0.6092 0.2051 0.1505  0.0621  -0.0481 40  VAL   B CG2 
624  N N   . MET   B 32  ? 0.6377 0.6172 0.2368 0.1284  0.0629  -0.0753 41  MET   B N   
625  C CA  . MET   B 32  ? 0.6375 0.6234 0.2498 0.1179  0.0610  -0.0869 41  MET   B CA  
626  C C   . MET   B 32  ? 0.6499 0.6341 0.2614 0.1182  0.0522  -0.0968 41  MET   B C   
627  O O   . MET   B 32  ? 0.6555 0.6384 0.2601 0.1334  0.0452  -0.1002 41  MET   B O   
628  C CB  . MET   B 32  ? 0.6368 0.6296 0.2555 0.1253  0.0620  -0.0906 41  MET   B CB  
629  C CG  . MET   B 32  ? 0.6316 0.6338 0.2652 0.1153  0.0616  -0.1018 41  MET   B CG  
630  S SD  . MET   B 32  ? 0.6212 0.6252 0.2633 0.0956  0.0704  -0.0985 41  MET   B SD  
631  C CE  . MET   B 32  ? 0.6194 0.6207 0.2590 0.1029  0.0765  -0.0888 41  MET   B CE  
632  N N   . GLN   B 33  ? 0.6535 0.6362 0.2707 0.1026  0.0523  -0.1008 42  GLN   B N   
633  C CA  . GLN   B 33  ? 0.6687 0.6482 0.2875 0.0995  0.0443  -0.1102 42  GLN   B CA  
634  C C   . GLN   B 33  ? 0.6668 0.6515 0.3001 0.0807  0.0474  -0.1168 42  GLN   B C   
635  O O   . GLN   B 33  ? 0.6630 0.6461 0.2965 0.0689  0.0550  -0.1106 42  GLN   B O   
636  C CB  . GLN   B 33  ? 0.6826 0.6485 0.2862 0.1025  0.0407  -0.1048 42  GLN   B CB  
637  C CG  . GLN   B 33  ? 0.6983 0.6587 0.3039 0.0995  0.0316  -0.1151 42  GLN   B CG  
638  C CD  . GLN   B 33  ? 0.7156 0.6623 0.3045 0.1091  0.0244  -0.1129 42  GLN   B CD  
639  O OE1 . GLN   B 33  ? 0.7317 0.6680 0.3189 0.1007  0.0202  -0.1164 42  GLN   B OE1 
640  N NE2 . GLN   B 33  ? 0.7178 0.6637 0.2937 0.1268  0.0236  -0.1064 42  GLN   B NE2 
641  N N   . GLU   B 34  ? 0.6721 0.6640 0.3177 0.0789  0.0417  -0.1290 43  GLU   B N   
642  C CA  . GLU   B 34  ? 0.6692 0.6692 0.3315 0.0618  0.0445  -0.1368 43  GLU   B CA  
643  C C   . GLU   B 34  ? 0.6507 0.6597 0.3197 0.0539  0.0545  -0.1333 43  GLU   B C   
644  O O   . GLU   B 34  ? 0.6507 0.6610 0.3258 0.0384  0.0603  -0.1333 43  GLU   B O   
645  C CB  . GLU   B 34  ? 0.6859 0.6733 0.3442 0.0486  0.0446  -0.1348 43  GLU   B CB  
646  C CG  . GLU   B 34  ? 0.7045 0.6825 0.3587 0.0542  0.0338  -0.1407 43  GLU   B CG  
647  C CD  . GLU   B 34  ? 0.7221 0.6815 0.3646 0.0461  0.0332  -0.1353 43  GLU   B CD  
648  O OE1 . GLU   B 34  ? 0.7321 0.6891 0.3824 0.0291  0.0370  -0.1370 43  GLU   B OE1 
649  O OE2 . GLU   B 34  ? 0.7375 0.6847 0.3623 0.0575  0.0290  -0.1295 43  GLU   B OE2 
650  N N   . GLY   B 35  ? 0.6345 0.6485 0.3016 0.0645  0.0566  -0.1302 44  GLY   B N   
651  C CA  . GLY   B 35  ? 0.6184 0.6408 0.2925 0.0589  0.0645  -0.1289 44  GLY   B CA  
652  C C   . GLY   B 35  ? 0.6077 0.6213 0.2721 0.0530  0.0716  -0.1172 44  GLY   B C   
653  O O   . GLY   B 35  ? 0.6016 0.6207 0.2706 0.0482  0.0776  -0.1161 44  GLY   B O   
654  N N   . VAL   B 36  ? 0.6045 0.6055 0.2556 0.0549  0.0700  -0.1094 45  VAL   B N   
655  C CA  . VAL   B 36  ? 0.5969 0.5896 0.2381 0.0511  0.0753  -0.0984 45  VAL   B CA  
656  C C   . VAL   B 36  ? 0.5916 0.5799 0.2233 0.0651  0.0742  -0.0902 45  VAL   B C   
657  O O   . VAL   B 36  ? 0.5977 0.5821 0.2226 0.0766  0.0682  -0.0904 45  VAL   B O   
658  C CB  . VAL   B 36  ? 0.6040 0.5866 0.2377 0.0413  0.0751  -0.0960 45  VAL   B CB  
659  C CG1 . VAL   B 36  ? 0.6035 0.5775 0.2252 0.0408  0.0783  -0.0854 45  VAL   B CG1 
660  C CG2 . VAL   B 36  ? 0.6056 0.5928 0.2487 0.0261  0.0791  -0.1018 45  VAL   B CG2 
661  N N   . PHE   B 37  ? 0.5804 0.5693 0.2120 0.0644  0.0797  -0.0832 46  PHE   B N   
662  C CA  . PHE   B 37  ? 0.5767 0.5619 0.2013 0.0750  0.0809  -0.0735 46  PHE   B CA  
663  C C   . PHE   B 37  ? 0.5762 0.5546 0.1921 0.0707  0.0824  -0.0654 46  PHE   B C   
664  O O   . PHE   B 37  ? 0.5730 0.5509 0.1907 0.0591  0.0859  -0.0646 46  PHE   B O   
665  C CB  . PHE   B 37  ? 0.5721 0.5613 0.2033 0.0772  0.0855  -0.0710 46  PHE   B CB  
666  C CG  . PHE   B 37  ? 0.5751 0.5610 0.2007 0.0891  0.0870  -0.0612 46  PHE   B CG  
667  C CD1 . PHE   B 37  ? 0.5821 0.5669 0.2011 0.1038  0.0834  -0.0608 46  PHE   B CD1 
668  C CD2 . PHE   B 37  ? 0.5723 0.5565 0.1992 0.0858  0.0920  -0.0525 46  PHE   B CD2 
669  C CE1 . PHE   B 37  ? 0.5865 0.5684 0.1995 0.1151  0.0861  -0.0507 46  PHE   B CE1 
670  C CE2 . PHE   B 37  ? 0.5759 0.5580 0.1993 0.0958  0.0946  -0.0427 46  PHE   B CE2 
671  C CZ  . PHE   B 37  ? 0.5834 0.5643 0.1994 0.1106  0.0923  -0.0413 46  PHE   B CZ  
672  N N   A HIS   B 38  ? 0.5814 0.5548 0.1870 0.0809  0.0793  -0.0604 47  HIS   B N   
673  N N   B HIS   B 38  ? 0.5814 0.5549 0.1870 0.0809  0.0793  -0.0604 47  HIS   B N   
674  N N   C HIS   B 38  ? 0.5809 0.5546 0.1867 0.0812  0.0797  -0.0597 47  HIS   B N   
675  N N   D HIS   B 38  ? 0.5809 0.5546 0.1867 0.0812  0.0797  -0.0597 47  HIS   B N   
676  C CA  A HIS   B 38  ? 0.5837 0.5514 0.1794 0.0811  0.0796  -0.0524 47  HIS   B CA  
677  C CA  B HIS   B 38  ? 0.5837 0.5514 0.1794 0.0811  0.0796  -0.0524 47  HIS   B CA  
678  C CA  C HIS   B 38  ? 0.5835 0.5513 0.1792 0.0810  0.0796  -0.0525 47  HIS   B CA  
679  C CA  D HIS   B 38  ? 0.5835 0.5513 0.1792 0.0810  0.0796  -0.0525 47  HIS   B CA  
680  C C   A HIS   B 38  ? 0.5812 0.5521 0.1766 0.0893  0.0837  -0.0424 47  HIS   B C   
681  C C   B HIS   B 38  ? 0.5812 0.5521 0.1766 0.0893  0.0837  -0.0424 47  HIS   B C   
682  C C   C HIS   B 38  ? 0.5821 0.5522 0.1758 0.0900  0.0831  -0.0421 47  HIS   B C   
683  C C   D HIS   B 38  ? 0.5821 0.5522 0.1758 0.0900  0.0831  -0.0421 47  HIS   B C   
684  O O   A HIS   B 38  ? 0.5839 0.5567 0.1784 0.1015  0.0834  -0.0404 47  HIS   B O   
685  O O   B HIS   B 38  ? 0.5839 0.5567 0.1784 0.1015  0.0834  -0.0404 47  HIS   B O   
686  O O   C HIS   B 38  ? 0.5862 0.5572 0.1762 0.1035  0.0819  -0.0396 47  HIS   B O   
687  O O   D HIS   B 38  ? 0.5863 0.5572 0.1762 0.1035  0.0819  -0.0396 47  HIS   B O   
688  C CB  A HIS   B 38  ? 0.5933 0.5540 0.1774 0.0885  0.0731  -0.0539 47  HIS   B CB  
689  C CB  B HIS   B 38  ? 0.5933 0.5540 0.1774 0.0886  0.0731  -0.0539 47  HIS   B CB  
690  C CB  C HIS   B 38  ? 0.5930 0.5536 0.1781 0.0869  0.0728  -0.0553 47  HIS   B CB  
691  C CB  D HIS   B 38  ? 0.5930 0.5536 0.1781 0.0869  0.0728  -0.0553 47  HIS   B CB  
692  C CG  A HIS   B 38  ? 0.5982 0.5549 0.1839 0.0809  0.0686  -0.0636 47  HIS   B CG  
693  C CG  B HIS   B 38  ? 0.5982 0.5549 0.1839 0.0809  0.0686  -0.0636 47  HIS   B CG  
694  C CG  C HIS   B 38  ? 0.5964 0.5544 0.1851 0.0779  0.0693  -0.0653 47  HIS   B CG  
695  C CG  D HIS   B 38  ? 0.5964 0.5544 0.1851 0.0779  0.0693  -0.0653 47  HIS   B CG  
696  N ND1 A HIS   B 38  ? 0.5984 0.5599 0.1924 0.0821  0.0657  -0.0726 47  HIS   B ND1 
697  N ND1 B HIS   B 38  ? 0.5985 0.5599 0.1924 0.0822  0.0657  -0.0726 47  HIS   B ND1 
698  N ND1 C HIS   B 38  ? 0.5951 0.5593 0.1937 0.0784  0.0674  -0.0740 47  HIS   B ND1 
699  N ND1 D HIS   B 38  ? 0.5951 0.5593 0.1937 0.0784  0.0674  -0.0740 47  HIS   B ND1 
700  C CD2 A HIS   B 38  ? 0.6042 0.5527 0.1851 0.0711  0.0671  -0.0657 47  HIS   B CD2 
701  C CD2 B HIS   B 38  ? 0.6043 0.5527 0.1851 0.0711  0.0671  -0.0657 47  HIS   B CD2 
702  C CD2 C HIS   B 38  ? 0.6021 0.5524 0.1870 0.0674  0.0681  -0.0677 47  HIS   B CD2 
703  C CD2 D HIS   B 38  ? 0.6021 0.5524 0.1870 0.0674  0.0681  -0.0677 47  HIS   B CD2 
704  C CE1 A HIS   B 38  ? 0.6037 0.5613 0.1999 0.0728  0.0626  -0.0798 47  HIS   B CE1 
705  C CE1 B HIS   B 38  ? 0.6038 0.5613 0.1999 0.0728  0.0626  -0.0798 47  HIS   B CE1 
706  C CE1 C HIS   B 38  ? 0.5992 0.5610 0.2015 0.0681  0.0651  -0.0815 47  HIS   B CE1 
707  C CE1 D HIS   B 38  ? 0.5992 0.5610 0.2015 0.0681  0.0651  -0.0815 47  HIS   B CE1 
708  N NE2 A HIS   B 38  ? 0.6079 0.5565 0.1957 0.0654  0.0639  -0.0753 47  HIS   B NE2 
709  N NE2 B HIS   B 38  ? 0.6080 0.5565 0.1957 0.0654  0.0639  -0.0753 47  HIS   B NE2 
710  N NE2 C HIS   B 38  ? 0.6041 0.5564 0.1978 0.0607  0.0660  -0.0773 47  HIS   B NE2 
711  N NE2 D HIS   B 38  ? 0.6040 0.5564 0.1978 0.0607  0.0660  -0.0773 47  HIS   B NE2 
712  N N   . THR   B 39  ? 0.5780 0.5492 0.1737 0.0834  0.0870  -0.0363 48  THR   B N   
713  C CA  . THR   B 39  ? 0.5770 0.5522 0.1740 0.0898  0.0910  -0.0261 48  THR   B CA  
714  C C   . THR   B 39  ? 0.5774 0.5522 0.1708 0.0845  0.0913  -0.0218 48  THR   B C   
715  O O   . THR   B 39  ? 0.5792 0.5488 0.1674 0.0765  0.0885  -0.0267 48  THR   B O   
716  C CB  . THR   B 39  ? 0.5724 0.5519 0.1812 0.0891  0.0959  -0.0241 48  THR   B CB  
717  O OG1 . THR   B 39  ? 0.5748 0.5572 0.1841 0.0983  0.0999  -0.0139 48  THR   B OG1 
718  C CG2 . THR   B 39  ? 0.5662 0.5474 0.1849 0.0759  0.0985  -0.0264 48  THR   B CG2 
719  N N   . MET   B 40  ? 0.5787 0.5591 0.1743 0.0906  0.0946  -0.0126 49  MET   B N   
720  C CA  . MET   B 40  ? 0.5788 0.5618 0.1739 0.0861  0.0950  -0.0087 49  MET   B CA  
721  C C   . MET   B 40  ? 0.5710 0.5576 0.1791 0.0743  0.0979  -0.0099 49  MET   B C   
722  O O   . MET   B 40  ? 0.5670 0.5564 0.1864 0.0732  0.1016  -0.0089 49  MET   B O   
723  C CB  . MET   B 40  ? 0.5842 0.5738 0.1776 0.0970  0.0971  0.0006  49  MET   B CB  
724  C CG  . MET   B 40  ? 0.5939 0.5797 0.1742 0.1110  0.0942  0.0011  49  MET   B CG  
725  S SD  . MET   B 40  ? 0.6039 0.5947 0.1740 0.1238  0.0936  0.0091  49  MET   B SD  
726  C CE  . MET   B 40  ? 0.6086 0.5892 0.1663 0.1165  0.0861  0.0019  49  MET   B CE  
727  N N   A TRP   B 41  ? 0.5710 0.5565 0.1763 0.0668  0.0958  -0.0122 50  TRP   B N   
728  N N   B TRP   B 41  ? 0.5702 0.5555 0.1754 0.0666  0.0958  -0.0124 50  TRP   B N   
729  N N   C TRP   B 41  ? 0.5709 0.5565 0.1762 0.0668  0.0958  -0.0122 50  TRP   B N   
730  N N   D TRP   B 41  ? 0.5702 0.5555 0.1754 0.0666  0.0958  -0.0124 50  TRP   B N   
731  C CA  A TRP   B 41  ? 0.5669 0.5549 0.1818 0.0560  0.0970  -0.0152 50  TRP   B CA  
732  C CA  B TRP   B 41  ? 0.5659 0.5539 0.1809 0.0559  0.0970  -0.0152 50  TRP   B CA  
733  C CA  C TRP   B 41  ? 0.5669 0.5548 0.1817 0.0560  0.0970  -0.0152 50  TRP   B CA  
734  C CA  D TRP   B 41  ? 0.5659 0.5539 0.1809 0.0559  0.0970  -0.0152 50  TRP   B CA  
735  C C   A TRP   B 41  ? 0.5638 0.5605 0.1941 0.0564  0.1008  -0.0091 50  TRP   B C   
736  C C   B TRP   B 41  ? 0.5627 0.5594 0.1932 0.0567  0.1009  -0.0090 50  TRP   B C   
737  C C   C TRP   B 41  ? 0.5637 0.5605 0.1941 0.0563  0.1008  -0.0091 50  TRP   B C   
738  C C   D TRP   B 41  ? 0.5627 0.5594 0.1932 0.0567  0.1009  -0.0090 50  TRP   B C   
739  O O   A TRP   B 41  ? 0.5609 0.5582 0.2025 0.0509  0.1029  -0.0112 50  TRP   B O   
740  O O   B TRP   B 41  ? 0.5599 0.5568 0.2014 0.0518  0.1032  -0.0109 50  TRP   B O   
741  O O   C TRP   B 41  ? 0.5608 0.5581 0.2025 0.0509  0.1029  -0.0112 50  TRP   B O   
742  O O   D TRP   B 41  ? 0.5599 0.5568 0.2014 0.0518  0.1032  -0.0109 50  TRP   B O   
743  C CB  A TRP   B 41  ? 0.5703 0.5548 0.1756 0.0508  0.0936  -0.0181 50  TRP   B CB  
744  C CB  B TRP   B 41  ? 0.5690 0.5545 0.1752 0.0512  0.0937  -0.0174 50  TRP   B CB  
745  C CB  C TRP   B 41  ? 0.5702 0.5546 0.1755 0.0508  0.0936  -0.0181 50  TRP   B CB  
746  C CB  D TRP   B 41  ? 0.5690 0.5544 0.1752 0.0512  0.0937  -0.0174 50  TRP   B CB  
747  C CG  A TRP   B 41  ? 0.5675 0.5531 0.1802 0.0409  0.0942  -0.0229 50  TRP   B CG  
748  C CG  B TRP   B 41  ? 0.5660 0.5543 0.1810 0.0421  0.0942  -0.0209 50  TRP   B CG  
749  C CG  C TRP   B 41  ? 0.5674 0.5530 0.1800 0.0409  0.0942  -0.0229 50  TRP   B CG  
750  C CG  D TRP   B 41  ? 0.5659 0.5543 0.1809 0.0421  0.0942  -0.0209 50  TRP   B CG  
751  C CD1 A TRP   B 41  ? 0.5687 0.5492 0.1784 0.0337  0.0943  -0.0299 50  TRP   B CD1 
752  C CD1 B TRP   B 41  ? 0.5633 0.5598 0.1899 0.0405  0.0945  -0.0182 50  TRP   B CD1 
753  C CD1 C TRP   B 41  ? 0.5686 0.5491 0.1783 0.0337  0.0943  -0.0299 50  TRP   B CD1 
754  C CD1 D TRP   B 41  ? 0.5632 0.5597 0.1899 0.0405  0.0945  -0.0182 50  TRP   B CD1 
755  C CD2 A TRP   B 41  ? 0.5640 0.5574 0.1902 0.0378  0.0949  -0.0214 50  TRP   B CD2 
756  C CD2 B TRP   B 41  ? 0.5662 0.5501 0.1803 0.0337  0.0942  -0.0283 50  TRP   B CD2 
757  C CD2 C TRP   B 41  ? 0.5640 0.5573 0.1901 0.0378  0.0949  -0.0214 50  TRP   B CD2 
758  C CD2 D TRP   B 41  ? 0.5662 0.5500 0.1803 0.0337  0.0942  -0.0283 50  TRP   B CD2 
759  N NE1 A TRP   B 41  ? 0.5669 0.5509 0.1851 0.0274  0.0946  -0.0329 50  TRP   B NE1 
760  N NE1 B TRP   B 41  ? 0.5627 0.5589 0.1947 0.0322  0.0937  -0.0241 50  TRP   B NE1 
761  N NE1 C TRP   B 41  ? 0.5669 0.5509 0.1850 0.0274  0.0946  -0.0329 50  TRP   B NE1 
762  N NE1 D TRP   B 41  ? 0.5626 0.5588 0.1946 0.0322  0.0937  -0.0241 50  TRP   B NE1 
763  C CE2 A TRP   B 41  ? 0.5640 0.5553 0.1927 0.0295  0.0944  -0.0283 50  TRP   B CE2 
764  C CE2 B TRP   B 41  ? 0.5646 0.5532 0.1882 0.0285  0.0939  -0.0300 50  TRP   B CE2 
765  C CE2 C TRP   B 41  ? 0.5638 0.5551 0.1926 0.0295  0.0944  -0.0282 50  TRP   B CE2 
766  C CE2 D TRP   B 41  ? 0.5645 0.5532 0.1882 0.0285  0.0939  -0.0300 50  TRP   B CE2 
767  C CE3 A TRP   B 41  ? 0.5619 0.5644 0.1988 0.0410  0.0959  -0.0151 50  TRP   B CE3 
768  C CE3 B TRP   B 41  ? 0.5685 0.5459 0.1757 0.0302  0.0947  -0.0338 50  TRP   B CE3 
769  C CE3 C TRP   B 41  ? 0.5618 0.5642 0.1987 0.0411  0.0959  -0.0150 50  TRP   B CE3 
770  C CE3 D TRP   B 41  ? 0.5685 0.5458 0.1756 0.0302  0.0947  -0.0338 50  TRP   B CE3 
771  C CZ2 A TRP   B 41  ? 0.5629 0.5594 0.2039 0.0248  0.0937  -0.0298 50  TRP   B CZ2 
772  C CZ2 B TRP   B 41  ? 0.5661 0.5524 0.1898 0.0213  0.0938  -0.0370 50  TRP   B CZ2 
773  C CZ2 C TRP   B 41  ? 0.5629 0.5594 0.2039 0.0248  0.0937  -0.0298 50  TRP   B CZ2 
774  C CZ2 D TRP   B 41  ? 0.5660 0.5522 0.1897 0.0213  0.0938  -0.0370 50  TRP   B CZ2 
775  C CZ3 A TRP   B 41  ? 0.5600 0.5684 0.2112 0.0350  0.0957  -0.0163 50  TRP   B CZ3 
776  C CZ3 B TRP   B 41  ? 0.5694 0.5458 0.1778 0.0224  0.0957  -0.0399 50  TRP   B CZ3 
777  C CZ3 C TRP   B 41  ? 0.5600 0.5684 0.2111 0.0351  0.0957  -0.0162 50  TRP   B CZ3 
778  C CZ3 D TRP   B 41  ? 0.5693 0.5457 0.1777 0.0224  0.0957  -0.0399 50  TRP   B CZ3 
779  C CH2 A TRP   B 41  ? 0.5608 0.5655 0.2136 0.0272  0.0940  -0.0240 50  TRP   B CH2 
780  C CH2 B TRP   B 41  ? 0.5685 0.5489 0.1840 0.0187  0.0952  -0.0415 50  TRP   B CH2 
781  C CH2 C TRP   B 41  ? 0.5607 0.5655 0.2136 0.0273  0.0940  -0.0239 50  TRP   B CH2 
782  C CH2 D TRP   B 41  ? 0.5683 0.5487 0.1839 0.0187  0.0952  -0.0415 50  TRP   B CH2 
783  N N   . HIS   B 42  ? 0.5657 0.5690 0.1967 0.0649  0.1024  -0.0006 51  HIS   B N   
784  C CA  . HIS   B 42  ? 0.5662 0.5788 0.2146 0.0634  0.1069  0.0058  51  HIS   B CA  
785  C C   . HIS   B 42  ? 0.5708 0.5814 0.2283 0.0650  0.1119  0.0088  51  HIS   B C   
786  O O   . HIS   B 42  ? 0.5710 0.5861 0.2441 0.0611  0.1158  0.0132  51  HIS   B O   
787  C CB  . HIS   B 42  ? 0.5689 0.5913 0.2179 0.0706  0.1082  0.0137  51  HIS   B CB  
788  C CG  . HIS   B 42  ? 0.5727 0.5958 0.2141 0.0833  0.1111  0.0204  51  HIS   B CG  
789  N ND1 . HIS   B 42  ? 0.5776 0.5971 0.2014 0.0922  0.1071  0.0195  51  HIS   B ND1 
790  C CD2 . HIS   B 42  ? 0.5756 0.6017 0.2231 0.0897  0.1173  0.0282  51  HIS   B CD2 
791  C CE1 . HIS   B 42  ? 0.5822 0.6035 0.2013 0.1044  0.1103  0.0258  51  HIS   B CE1 
792  N NE2 . HIS   B 42  ? 0.5807 0.6061 0.2137 0.1031  0.1170  0.0316  51  HIS   B NE2 
793  N N   . VAL   B 43  ? 0.5781 0.5817 0.2265 0.0703  0.1115  0.0060  52  VAL   B N   
794  C CA  . VAL   B 43  ? 0.5853 0.5855 0.2388 0.0738  0.1154  0.0080  52  VAL   B CA  
795  C C   . VAL   B 43  ? 0.5890 0.5851 0.2518 0.0637  0.1149  0.0011  52  VAL   B C   
796  O O   . VAL   B 43  ? 0.5916 0.5866 0.2654 0.0626  0.1189  0.0050  52  VAL   B O   
797  C CB  . VAL   B 43  ? 0.5894 0.5848 0.2290 0.0844  0.1134  0.0058  52  VAL   B CB  
798  C CG1 . VAL   B 43  ? 0.5933 0.5842 0.2354 0.0890  0.1159  0.0056  52  VAL   B CG1 
799  C CG2 . VAL   B 43  ? 0.5941 0.5932 0.2243 0.0963  0.1141  0.0133  52  VAL   B CG2 
800  N N   . THR   B 44  ? 0.5928 0.5861 0.2508 0.0571  0.1106  -0.0084 53  THR   B N   
801  C CA  . THR   B 44  ? 0.6003 0.5900 0.2641 0.0497  0.1099  -0.0164 53  THR   B CA  
802  C C   . THR   B 44  ? 0.6079 0.5995 0.2770 0.0394  0.1078  -0.0203 53  THR   B C   
803  O O   . THR   B 44  ? 0.6099 0.5995 0.2869 0.0339  0.1077  -0.0250 53  THR   B O   
804  C CB  . THR   B 44  ? 0.5992 0.5856 0.2543 0.0509  0.1075  -0.0246 53  THR   B CB  
805  O OG1 . THR   B 44  ? 0.5966 0.5831 0.2426 0.0465  0.1043  -0.0285 53  THR   B OG1 
806  C CG2 . THR   B 44  ? 0.6026 0.5875 0.2532 0.0624  0.1084  -0.0219 53  THR   B CG2 
807  N N   . LYS   B 45  ? 0.6220 0.6174 0.2868 0.0385  0.1059  -0.0183 54  LYS   B N   
808  C CA  . LYS   B 45  ? 0.6402 0.6372 0.3052 0.0308  0.1026  -0.0229 54  LYS   B CA  
809  C C   . LYS   B 45  ? 0.6486 0.6408 0.3073 0.0253  0.1009  -0.0324 54  LYS   B C   
810  O O   . LYS   B 45  ? 0.6600 0.6526 0.3220 0.0191  0.0990  -0.0372 54  LYS   B O   
811  C CB  . LYS   B 45  ? 0.6507 0.6519 0.3323 0.0259  0.1029  -0.0213 54  LYS   B CB  
812  C CG  . LYS   B 45  ? 0.6599 0.6664 0.3529 0.0300  0.1069  -0.0113 54  LYS   B CG  
813  C CD  . LYS   B 45  ? 0.6672 0.6831 0.3634 0.0308  0.1059  -0.0065 54  LYS   B CD  
814  C CE  . LYS   B 45  ? 0.6725 0.6957 0.3848 0.0324  0.1109  0.0031  54  LYS   B CE  
815  N NZ  . LYS   B 45  ? 0.6795 0.7059 0.3837 0.0431  0.1149  0.0119  54  LYS   B NZ  
816  N N   . GLY   B 46  ? 0.6552 0.6439 0.3059 0.0277  0.1015  -0.0353 55  GLY   B N   
817  C CA  . GLY   B 46  ? 0.6616 0.6476 0.3066 0.0224  0.1010  -0.0437 55  GLY   B CA  
818  C C   . GLY   B 46  ? 0.6675 0.6538 0.3213 0.0206  0.1024  -0.0492 55  GLY   B C   
819  O O   . GLY   B 46  ? 0.6713 0.6574 0.3214 0.0169  0.1027  -0.0561 55  GLY   B O   
820  N N   . ALA   B 47  ? 0.6738 0.6600 0.3381 0.0236  0.1036  -0.0458 56  ALA   B N   
821  C CA  . ALA   B 47  ? 0.6752 0.6596 0.3468 0.0241  0.1046  -0.0503 56  ALA   B CA  
822  C C   . ALA   B 47  ? 0.6740 0.6590 0.3409 0.0285  0.1053  -0.0545 56  ALA   B C   
823  O O   . ALA   B 47  ? 0.6709 0.6564 0.3317 0.0334  0.1052  -0.0513 56  ALA   B O   
824  C CB  . ALA   B 47  ? 0.6790 0.6610 0.3608 0.0274  0.1063  -0.0436 56  ALA   B CB  
825  N N   . ALA   B 48  ? 0.6738 0.6593 0.3441 0.0275  0.1054  -0.0621 57  ALA   B N   
826  C CA  . ALA   B 48  ? 0.6740 0.6619 0.3433 0.0324  0.1057  -0.0673 57  ALA   B CA  
827  C C   . ALA   B 48  ? 0.6782 0.6625 0.3498 0.0421  0.1062  -0.0617 57  ALA   B C   
828  O O   . ALA   B 48  ? 0.6730 0.6525 0.3491 0.0432  0.1075  -0.0546 57  ALA   B O   
829  C CB  . ALA   B 48  ? 0.6776 0.6681 0.3505 0.0298  0.1058  -0.0767 57  ALA   B CB  
830  N N   . LEU   B 49  ? 0.6844 0.6713 0.3534 0.0488  0.1054  -0.0651 58  LEU   B N   
831  C CA  . LEU   B 49  ? 0.7034 0.6869 0.3710 0.0604  0.1056  -0.0603 58  LEU   B CA  
832  C C   . LEU   B 49  ? 0.7246 0.7099 0.3942 0.0664  0.1043  -0.0683 58  LEU   B C   
833  O O   . LEU   B 49  ? 0.7207 0.7133 0.3921 0.0626  0.1029  -0.0780 58  LEU   B O   
834  C CB  . LEU   B 49  ? 0.6936 0.6787 0.3536 0.0658  0.1041  -0.0570 58  LEU   B CB  
835  C CG  . LEU   B 49  ? 0.6892 0.6733 0.3455 0.0622  0.1048  -0.0493 58  LEU   B CG  
836  C CD1 . LEU   B 49  ? 0.6863 0.6714 0.3338 0.0675  0.1021  -0.0489 58  LEU   B CD1 
837  C CD2 . LEU   B 49  ? 0.6924 0.6726 0.3519 0.0649  0.1080  -0.0388 58  LEU   B CD2 
838  N N   . ARG   B 50  ? 0.7574 0.7366 0.4263 0.0764  0.1050  -0.0640 59  ARG   B N   
839  C CA  . ARG   B 50  ? 0.7858 0.7655 0.4548 0.0851  0.1033  -0.0711 59  ARG   B CA  
840  C C   . ARG   B 50  ? 0.8030 0.7850 0.4654 0.0970  0.1009  -0.0709 59  ARG   B C   
841  O O   . ARG   B 50  ? 0.8031 0.7800 0.4596 0.1027  0.1024  -0.0611 59  ARG   B O   
842  C CB  . ARG   B 50  ? 0.8147 0.7835 0.4859 0.0882  0.1054  -0.0668 59  ARG   B CB  
843  C CG  . ARG   B 50  ? 0.8452 0.8121 0.5148 0.0990  0.1034  -0.0732 59  ARG   B CG  
844  C CD  . ARG   B 50  ? 0.8730 0.8282 0.5455 0.0988  0.1047  -0.0717 59  ARG   B CD  
845  N NE  . ARG   B 50  ? 0.8866 0.8297 0.5598 0.0974  0.1087  -0.0585 59  ARG   B NE  
846  C CZ  . ARG   B 50  ? 0.9154 0.8491 0.5827 0.1077  0.1115  -0.0487 59  ARG   B CZ  
847  N NH1 . ARG   B 50  ? 0.9234 0.8578 0.5820 0.1216  0.1098  -0.0510 59  ARG   B NH1 
848  N NH2 . ARG   B 50  ? 0.9329 0.8571 0.6033 0.1044  0.1162  -0.0366 59  ARG   B NH2 
849  N N   . SER   B 51  ? 0.8172 0.8078 0.4809 0.1005  0.0972  -0.0818 60  SER   B N   
850  C CA  . SER   B 51  ? 0.8487 0.8416 0.5071 0.1144  0.0933  -0.0847 60  SER   B CA  
851  C C   . SER   B 51  ? 0.8747 0.8702 0.5356 0.1226  0.0910  -0.0937 60  SER   B C   
852  O O   . SER   B 51  ? 0.8855 0.8926 0.5541 0.1175  0.0889  -0.1052 60  SER   B O   
853  C CB  . SER   B 51  ? 0.8396 0.8416 0.4985 0.1113  0.0895  -0.0907 60  SER   B CB  
854  O OG  . SER   B 51  ? 0.8491 0.8519 0.5019 0.1256  0.0849  -0.0928 60  SER   B OG  
855  N N   . GLY   B 52  ? 0.9074 0.8925 0.5618 0.1350  0.0918  -0.0883 61  GLY   B N   
856  C CA  . GLY   B 52  ? 0.9392 0.9228 0.5943 0.1432  0.0902  -0.0952 61  GLY   B CA  
857  C C   . GLY   B 52  ? 0.9618 0.9455 0.6250 0.1316  0.0923  -0.0990 61  GLY   B C   
858  O O   . GLY   B 52  ? 0.9819 0.9557 0.6459 0.1237  0.0964  -0.0902 61  GLY   B O   
859  N N   . GLU   B 53  ? 0.9785 0.9744 0.6484 0.1303  0.0896  -0.1121 62  GLU   B N   
860  C CA  . GLU   B 53  ? 0.9885 0.9874 0.6655 0.1195  0.0914  -0.1173 62  GLU   B CA  
861  C C   . GLU   B 53  ? 0.9520 0.9655 0.6362 0.1058  0.0923  -0.1225 62  GLU   B C   
862  O O   . GLU   B 53  ? 0.9414 0.9596 0.6305 0.0974  0.0940  -0.1276 62  GLU   B O   
863  C CB  . GLU   B 53  ? 1.0314 1.0327 0.7096 0.1287  0.0887  -0.1274 62  GLU   B CB  
864  C CG  . GLU   B 53  ? 1.0855 1.0669 0.7568 0.1367  0.0895  -0.1207 62  GLU   B CG  
865  C CD  . GLU   B 53  ? 1.1360 1.1171 0.8074 0.1448  0.0868  -0.1306 62  GLU   B CD  
866  O OE1 . GLU   B 53  ? 1.1856 1.1782 0.8574 0.1553  0.0829  -0.1403 62  GLU   B OE1 
867  O OE2 . GLU   B 53  ? 1.1665 1.1362 0.8381 0.1409  0.0879  -0.1294 62  GLU   B OE2 
868  N N   . GLY   B 54  ? 0.9154 0.9341 0.5988 0.1039  0.0914  -0.1205 63  GLY   B N   
869  C CA  . GLY   B 54  ? 0.8866 0.9146 0.5745 0.0903  0.0929  -0.1227 63  GLY   B CA  
870  C C   . GLY   B 54  ? 0.8612 0.8792 0.5450 0.0810  0.0962  -0.1120 63  GLY   B C   
871  O O   . GLY   B 54  ? 0.8631 0.8693 0.5410 0.0862  0.0968  -0.1019 63  GLY   B O   
872  N N   . ARG   B 55  ? 0.8159 0.8391 0.5024 0.0682  0.0987  -0.1139 64  ARG   B N   
873  C CA  . ARG   B 55  ? 0.7900 0.8056 0.4727 0.0590  0.1012  -0.1054 64  ARG   B CA  
874  C C   . ARG   B 55  ? 0.7510 0.7696 0.4308 0.0528  0.1011  -0.1036 64  ARG   B C   
875  O O   . ARG   B 55  ? 0.7516 0.7801 0.4353 0.0493  0.1008  -0.1111 64  ARG   B O   
876  C CB  . ARG   B 55  ? 0.8070 0.8239 0.4922 0.0511  0.1035  -0.1093 64  ARG   B CB  
877  C CG  . ARG   B 55  ? 0.8227 0.8309 0.5046 0.0440  0.1049  -0.1016 64  ARG   B CG  
878  C CD  . ARG   B 55  ? 0.8431 0.8530 0.5265 0.0379  0.1061  -0.1071 64  ARG   B CD  
879  N NE  . ARG   B 55  ? 0.8556 0.8619 0.5350 0.0295  0.1070  -0.1028 64  ARG   B NE  
880  C CZ  . ARG   B 55  ? 0.8790 0.8786 0.5588 0.0268  0.1060  -0.1013 64  ARG   B CZ  
881  N NH1 . ARG   B 55  ? 0.8852 0.8792 0.5693 0.0311  0.1044  -0.1035 64  ARG   B NH1 
882  N NH2 . ARG   B 55  ? 0.8893 0.8873 0.5649 0.0202  0.1062  -0.0983 64  ARG   B NH2 
883  N N   . LEU   B 56  ? 0.7139 0.7241 0.3876 0.0520  0.1013  -0.0940 65  LEU   B N   
884  C CA  . LEU   B 56  ? 0.6953 0.7052 0.3640 0.0465  0.1009  -0.0913 65  LEU   B CA  
885  C C   . LEU   B 56  ? 0.6739 0.6801 0.3397 0.0368  0.1035  -0.0873 65  LEU   B C   
886  O O   . LEU   B 56  ? 0.6766 0.6766 0.3419 0.0378  0.1042  -0.0809 65  LEU   B O   
887  C CB  . LEU   B 56  ? 0.6944 0.6984 0.3568 0.0551  0.0985  -0.0840 65  LEU   B CB  
888  C CG  . LEU   B 56  ? 0.7015 0.7073 0.3639 0.0677  0.0951  -0.0868 65  LEU   B CG  
889  C CD1 . LEU   B 56  ? 0.7035 0.7036 0.3572 0.0755  0.0929  -0.0794 65  LEU   B CD1 
890  C CD2 . LEU   B 56  ? 0.7025 0.7184 0.3709 0.0663  0.0923  -0.0984 65  LEU   B CD2 
891  N N   . ASP   B 57  ? 0.6553 0.6658 0.3202 0.0274  0.1052  -0.0918 66  ASP   B N   
892  C CA  . ASP   B 57  ? 0.6442 0.6507 0.3037 0.0194  0.1073  -0.0885 66  ASP   B CA  
893  C C   . ASP   B 57  ? 0.6282 0.6287 0.2789 0.0177  0.1061  -0.0823 66  ASP   B C   
894  O O   . ASP   B 57  ? 0.6276 0.6285 0.2765 0.0175  0.1049  -0.0839 66  ASP   B O   
895  C CB  . ASP   B 57  ? 0.6504 0.6634 0.3113 0.0118  0.1107  -0.0956 66  ASP   B CB  
896  C CG  . ASP   B 57  ? 0.6557 0.6737 0.3243 0.0160  0.1108  -0.1015 66  ASP   B CG  
897  O OD1 . ASP   B 57  ? 0.6628 0.6749 0.3326 0.0202  0.1092  -0.0982 66  ASP   B OD1 
898  O OD2 . ASP   B 57  ? 0.6583 0.6861 0.3324 0.0153  0.1125  -0.1093 66  ASP   B OD2 
899  N N   . PRO   B 58  ? 0.6144 0.6091 0.2596 0.0159  0.1060  -0.0761 67  PRO   B N   
900  C CA  . PRO   B 58  ? 0.6108 0.5995 0.2458 0.0139  0.1049  -0.0710 67  PRO   B CA  
901  C C   . PRO   B 58  ? 0.6090 0.5974 0.2386 0.0058  0.1071  -0.0751 67  PRO   B C   
902  O O   . PRO   B 58  ? 0.6076 0.6010 0.2402 0.0005  0.1104  -0.0805 67  PRO   B O   
903  C CB  . PRO   B 58  ? 0.6126 0.5983 0.2452 0.0131  0.1046  -0.0659 67  PRO   B CB  
904  C CG  . PRO   B 58  ? 0.6140 0.6036 0.2538 0.0104  0.1061  -0.0709 67  PRO   B CG  
905  C CD  . PRO   B 58  ? 0.6134 0.6072 0.2619 0.0151  0.1064  -0.0748 67  PRO   B CD  
906  N N   . TYR   B 59  ? 0.6047 0.5874 0.2270 0.0054  0.1055  -0.0729 68  TYR   B N   
907  C CA  . TYR   B 59  ? 0.6076 0.5873 0.2245 -0.0026 0.1076  -0.0753 68  TYR   B CA  
908  C C   . TYR   B 59  ? 0.6110 0.5790 0.2128 -0.0042 0.1066  -0.0691 68  TYR   B C   
909  O O   . TYR   B 59  ? 0.6187 0.5821 0.2125 -0.0114 0.1099  -0.0690 68  TYR   B O   
910  C CB  . TYR   B 59  ? 0.6091 0.5906 0.2316 -0.0017 0.1055  -0.0796 68  TYR   B CB  
911  C CG  . TYR   B 59  ? 0.6183 0.5975 0.2390 -0.0114 0.1084  -0.0824 68  TYR   B CG  
912  C CD1 . TYR   B 59  ? 0.6285 0.5944 0.2369 -0.0139 0.1067  -0.0780 68  TYR   B CD1 
913  C CD2 . TYR   B 59  ? 0.6181 0.6078 0.2495 -0.0175 0.1126  -0.0891 68  TYR   B CD2 
914  C CE1 . TYR   B 59  ? 0.6397 0.6014 0.2465 -0.0238 0.1100  -0.0799 68  TYR   B CE1 
915  C CE2 . TYR   B 59  ? 0.6273 0.6156 0.2590 -0.0273 0.1162  -0.0911 68  TYR   B CE2 
916  C CZ  . TYR   B 59  ? 0.6385 0.6118 0.2577 -0.0309 0.1150  -0.0860 68  TYR   B CZ  
917  O OH  . TYR   B 59  ? 0.6510 0.6194 0.2696 -0.0411 0.1185  -0.0868 68  TYR   B OH  
918  N N   . TRP   B 60  ? 0.6035 0.5664 0.2005 0.0031  0.1022  -0.0640 69  TRP   B N   
919  C CA  . TRP   B 60  ? 0.6068 0.5588 0.1890 0.0045  0.0998  -0.0582 69  TRP   B CA  
920  C C   . TRP   B 60  ? 0.6043 0.5583 0.1867 0.0135  0.0967  -0.0527 69  TRP   B C   
921  O O   . TRP   B 60  ? 0.5947 0.5537 0.1852 0.0208  0.0952  -0.0523 69  TRP   B O   
922  C CB  . TRP   B 60  ? 0.6144 0.5566 0.1889 0.0038  0.0973  -0.0584 69  TRP   B CB  
923  C CG  . TRP   B 60  ? 0.6221 0.5526 0.1806 0.0075  0.0941  -0.0525 69  TRP   B CG  
924  C CD1 . TRP   B 60  ? 0.6329 0.5537 0.1775 0.0030  0.0955  -0.0498 69  TRP   B CD1 
925  C CD2 . TRP   B 60  ? 0.6205 0.5484 0.1742 0.0182  0.0889  -0.0483 69  TRP   B CD2 
926  N NE1 . TRP   B 60  ? 0.6391 0.5512 0.1708 0.0102  0.0909  -0.0448 69  TRP   B NE1 
927  C CE2 . TRP   B 60  ? 0.6313 0.5484 0.1688 0.0195  0.0870  -0.0439 69  TRP   B CE2 
928  C CE3 . TRP   B 60  ? 0.6130 0.5468 0.1733 0.0278  0.0860  -0.0480 69  TRP   B CE3 
929  C CZ2 . TRP   B 60  ? 0.6341 0.5474 0.1631 0.0300  0.0821  -0.0395 69  TRP   B CZ2 
930  C CZ3 . TRP   B 60  ? 0.6162 0.5462 0.1677 0.0379  0.0819  -0.0430 69  TRP   B CZ3 
931  C CH2 . TRP   B 60  ? 0.6263 0.5467 0.1628 0.0390  0.0798  -0.0391 69  TRP   B CH2 
932  N N   . GLY   B 61  ? 0.6094 0.5596 0.1829 0.0139  0.0959  -0.0485 70  GLY   B N   
933  C CA  . GLY   B 61  ? 0.6082 0.5613 0.1821 0.0219  0.0932  -0.0428 70  GLY   B CA  
934  C C   . GLY   B 61  ? 0.6191 0.5660 0.1795 0.0231  0.0909  -0.0391 70  GLY   B C   
935  O O   . GLY   B 61  ? 0.6277 0.5688 0.1789 0.0168  0.0922  -0.0410 70  GLY   B O   
936  N N   . ASP   B 62  ? 0.6198 0.5691 0.1791 0.0314  0.0881  -0.0340 71  ASP   B N   
937  C CA  . ASP   B 62  ? 0.6308 0.5758 0.1774 0.0352  0.0849  -0.0304 71  ASP   B CA  
938  C C   . ASP   B 62  ? 0.6238 0.5798 0.1788 0.0432  0.0837  -0.0255 71  ASP   B C   
939  O O   . ASP   B 62  ? 0.6234 0.5802 0.1779 0.0511  0.0828  -0.0222 71  ASP   B O   
940  C CB  . ASP   B 62  ? 0.6463 0.5769 0.1752 0.0375  0.0821  -0.0299 71  ASP   B CB  
941  C CG  . ASP   B 62  ? 0.6612 0.5843 0.1736 0.0409  0.0788  -0.0272 71  ASP   B CG  
942  O OD1 . ASP   B 62  ? 0.6612 0.5905 0.1734 0.0489  0.0761  -0.0237 71  ASP   B OD1 
943  O OD2 . ASP   B 62  ? 0.6780 0.5899 0.1780 0.0351  0.0796  -0.0289 71  ASP   B OD2 
944  N N   . VAL   B 63  ? 0.6201 0.5844 0.1824 0.0414  0.0836  -0.0251 72  VAL   B N   
945  C CA  . VAL   B 63  ? 0.6137 0.5908 0.1878 0.0470  0.0832  -0.0204 72  VAL   B CA  
946  C C   . VAL   B 63  ? 0.6211 0.5970 0.1833 0.0569  0.0800  -0.0158 72  VAL   B C   
947  O O   . VAL   B 63  ? 0.6159 0.6017 0.1862 0.0641  0.0810  -0.0106 72  VAL   B O   
948  C CB  . VAL   B 63  ? 0.6110 0.5965 0.1956 0.0421  0.0824  -0.0225 72  VAL   B CB  
949  C CG1 . VAL   B 63  ? 0.6095 0.6072 0.2018 0.0480  0.0806  -0.0180 72  VAL   B CG1 
950  C CG2 . VAL   B 63  ? 0.6023 0.5923 0.2039 0.0351  0.0856  -0.0255 72  VAL   B CG2 
951  N N   . LYS   B 64  ? 0.6339 0.5977 0.1766 0.0584  0.0764  -0.0172 73  LYS   B N   
952  C CA  . LYS   B 64  ? 0.6426 0.6051 0.1729 0.0692  0.0725  -0.0134 73  LYS   B CA  
953  C C   . LYS   B 64  ? 0.6424 0.6003 0.1681 0.0763  0.0724  -0.0111 73  LYS   B C   
954  O O   . LYS   B 64  ? 0.6418 0.6068 0.1670 0.0871  0.0713  -0.0065 73  LYS   B O   
955  C CB  . LYS   B 64  ? 0.6601 0.6083 0.1686 0.0698  0.0682  -0.0152 73  LYS   B CB  
956  C CG  . LYS   B 64  ? 0.6706 0.6182 0.1665 0.0823  0.0635  -0.0117 73  LYS   B CG  
957  C CD  . LYS   B 64  ? 0.6892 0.6220 0.1624 0.0844  0.0589  -0.0131 73  LYS   B CD  
958  C CE  . LYS   B 64  ? 0.7009 0.6323 0.1604 0.0982  0.0537  -0.0102 73  LYS   B CE  
959  N NZ  . LYS   B 64  ? 0.7205 0.6378 0.1577 0.1007  0.0490  -0.0117 73  LYS   B NZ  
960  N N   . GLN   B 65  ? 0.6436 0.5904 0.1656 0.0713  0.0733  -0.0146 74  GLN   B N   
961  C CA  . GLN   B 65  ? 0.6446 0.5867 0.1632 0.0779  0.0722  -0.0142 74  GLN   B CA  
962  C C   . GLN   B 65  ? 0.6288 0.5849 0.1649 0.0808  0.0763  -0.0116 74  GLN   B C   
963  O O   . GLN   B 65  ? 0.6303 0.5860 0.1631 0.0907  0.0752  -0.0098 74  GLN   B O   
964  C CB  . GLN   B 65  ? 0.6525 0.5811 0.1659 0.0707  0.0718  -0.0197 74  GLN   B CB  
965  C CG  . GLN   B 65  ? 0.6719 0.5830 0.1665 0.0679  0.0684  -0.0214 74  GLN   B CG  
966  C CD  . GLN   B 65  ? 0.6795 0.5792 0.1731 0.0591  0.0690  -0.0266 74  GLN   B CD  
967  O OE1 . GLN   B 65  ? 0.6828 0.5817 0.1804 0.0618  0.0675  -0.0291 74  GLN   B OE1 
968  N NE2 . GLN   B 65  ? 0.6872 0.5797 0.1767 0.0485  0.0717  -0.0285 74  GLN   B NE2 
969  N N   . ASP   B 66  ? 0.6146 0.5810 0.1666 0.0737  0.0804  -0.0114 75  ASP   B N   
970  C CA  . ASP   B 66  ? 0.6020 0.5795 0.1717 0.0739  0.0852  -0.0089 75  ASP   B CA  
971  C C   . ASP   B 66  ? 0.5984 0.5705 0.1686 0.0743  0.0859  -0.0122 75  ASP   B C   
972  O O   . ASP   B 66  ? 0.5938 0.5715 0.1690 0.0826  0.0880  -0.0082 75  ASP   B O   
973  C CB  . ASP   B 66  ? 0.6008 0.5890 0.1746 0.0851  0.0869  -0.0012 75  ASP   B CB  
974  C CG  . ASP   B 66  ? 0.5925 0.5916 0.1851 0.0841  0.0928  0.0031  75  ASP   B CG  
975  O OD1 . ASP   B 66  ? 0.5865 0.5866 0.1907 0.0741  0.0948  0.0000  75  ASP   B OD1 
976  O OD2 . ASP   B 66  ? 0.5927 0.5994 0.1879 0.0939  0.0958  0.0101  75  ASP   B OD2 
977  N N   . LEU   B 67  ? 0.5968 0.5596 0.1621 0.0666  0.0845  -0.0189 76  LEU   B N   
978  C CA  . LEU   B 67  ? 0.5951 0.5544 0.1630 0.0652  0.0846  -0.0241 76  LEU   B CA  
979  C C   . LEU   B 67  ? 0.5912 0.5520 0.1686 0.0536  0.0876  -0.0295 76  LEU   B C   
980  O O   . LEU   B 67  ? 0.5915 0.5513 0.1674 0.0460  0.0884  -0.0303 76  LEU   B O   
981  C CB  . LEU   B 67  ? 0.6056 0.5526 0.1592 0.0668  0.0798  -0.0276 76  LEU   B CB  
982  C CG  . LEU   B 67  ? 0.6131 0.5570 0.1555 0.0803  0.0755  -0.0240 76  LEU   B CG  
983  C CD1 . LEU   B 67  ? 0.6258 0.5549 0.1547 0.0802  0.0699  -0.0288 76  LEU   B CD1 
984  C CD2 . LEU   B 67  ? 0.6087 0.5604 0.1578 0.0906  0.0767  -0.0219 76  LEU   B CD2 
985  N N   . VAL   B 68  ? 0.5870 0.5501 0.1724 0.0533  0.0889  -0.0336 77  VAL   B N   
986  C CA  . VAL   B 68  ? 0.5824 0.5474 0.1761 0.0434  0.0915  -0.0400 77  VAL   B CA  
987  C C   . VAL   B 68  ? 0.5860 0.5509 0.1827 0.0452  0.0902  -0.0460 77  VAL   B C   
988  O O   . VAL   B 68  ? 0.5847 0.5508 0.1813 0.0554  0.0884  -0.0443 77  VAL   B O   
989  C CB  . VAL   B 68  ? 0.5741 0.5467 0.1802 0.0415  0.0949  -0.0384 77  VAL   B CB  
990  C CG1 . VAL   B 68  ? 0.5706 0.5477 0.1840 0.0509  0.0961  -0.0344 77  VAL   B CG1 
991  C CG2 . VAL   B 68  ? 0.5716 0.5460 0.1842 0.0328  0.0972  -0.0453 77  VAL   B CG2 
992  N N   . SER   B 69  ? 0.5873 0.5518 0.1866 0.0364  0.0912  -0.0529 78  SER   B N   
993  C CA  . SER   B 69  ? 0.5916 0.5590 0.1973 0.0369  0.0900  -0.0601 78  SER   B CA  
994  C C   . SER   B 69  ? 0.5897 0.5652 0.2070 0.0310  0.0939  -0.0653 78  SER   B C   
995  O O   . SER   B 69  ? 0.5886 0.5648 0.2062 0.0229  0.0974  -0.0651 78  SER   B O   
996  C CB  . SER   B 69  ? 0.6010 0.5611 0.2003 0.0323  0.0872  -0.0641 78  SER   B CB  
997  O OG  . SER   B 69  ? 0.6052 0.5634 0.2041 0.0198  0.0909  -0.0666 78  SER   B OG  
998  N N   . TYR   B 70  ? 0.5907 0.5723 0.2164 0.0358  0.0929  -0.0703 79  TYR   B N   
999  C CA  . TYR   B 70  ? 0.5890 0.5791 0.2258 0.0327  0.0959  -0.0762 79  TYR   B CA  
1000 C C   . TYR   B 70  ? 0.5953 0.5911 0.2384 0.0298  0.0945  -0.0856 79  TYR   B C   
1001 O O   . TYR   B 70  ? 0.5972 0.5918 0.2393 0.0352  0.0900  -0.0878 79  TYR   B O   
1002 C CB  . TYR   B 70  ? 0.5859 0.5784 0.2274 0.0422  0.0960  -0.0737 79  TYR   B CB  
1003 C CG  . TYR   B 70  ? 0.5835 0.5724 0.2232 0.0426  0.0983  -0.0653 79  TYR   B CG  
1004 C CD1 . TYR   B 70  ? 0.5862 0.5703 0.2184 0.0477  0.0972  -0.0567 79  TYR   B CD1 
1005 C CD2 . TYR   B 70  ? 0.5828 0.5740 0.2293 0.0387  0.1011  -0.0665 79  TYR   B CD2 
1006 C CE1 . TYR   B 70  ? 0.5849 0.5683 0.2186 0.0475  0.0993  -0.0495 79  TYR   B CE1 
1007 C CE2 . TYR   B 70  ? 0.5821 0.5705 0.2294 0.0376  0.1024  -0.0599 79  TYR   B CE2 
1008 C CZ  . TYR   B 70  ? 0.5825 0.5679 0.2243 0.0416  0.1017  -0.0513 79  TYR   B CZ  
1009 O OH  . TYR   B 70  ? 0.5825 0.5674 0.2280 0.0405  0.1031  -0.0453 79  TYR   B OH  
1010 N N   . CYS   B 71  ? 0.5991 0.6016 0.2490 0.0208  0.0985  -0.0911 80  CYS   B N   
1011 C CA  . CYS   B 71  ? 0.6039 0.6163 0.2642 0.0164  0.0990  -0.1008 80  CYS   B CA  
1012 C C   . CYS   B 71  ? 0.6103 0.6187 0.2679 0.0063  0.0997  -0.1018 80  CYS   B C   
1013 O O   . CYS   B 71  ? 0.6134 0.6308 0.2812 0.0000  0.1014  -0.1092 80  CYS   B O   
1014 C CB  . CYS   B 71  ? 0.6066 0.6258 0.2746 0.0273  0.0942  -0.1065 80  CYS   B CB  
1015 S SG  . CYS   B 71  ? 0.6121 0.6311 0.2800 0.0390  0.0945  -0.1027 80  CYS   B SG  
1016 N N   . GLY   B 72  ? 0.6146 0.6103 0.2597 0.0050  0.0984  -0.0950 81  GLY   B N   
1017 C CA  . GLY   B 72  ? 0.6232 0.6119 0.2650 -0.0026 0.0976  -0.0960 81  GLY   B CA  
1018 C C   . GLY   B 72  ? 0.6276 0.6006 0.2528 -0.0008 0.0953  -0.0876 81  GLY   B C   
1019 O O   . GLY   B 72  ? 0.6226 0.5932 0.2411 0.0060  0.0950  -0.0813 81  GLY   B O   
1020 N N   . PRO   B 73  ? 0.6390 0.6017 0.2583 -0.0076 0.0944  -0.0875 82  PRO   B N   
1021 C CA  . PRO   B 73  ? 0.6483 0.5948 0.2506 -0.0047 0.0911  -0.0806 82  PRO   B CA  
1022 C C   . PRO   B 73  ? 0.6461 0.5898 0.2447 0.0091  0.0833  -0.0797 82  PRO   B C   
1023 O O   . PRO   B 73  ? 0.6420 0.5938 0.2510 0.0136  0.0802  -0.0858 82  PRO   B O   
1024 C CB  . PRO   B 73  ? 0.6636 0.5999 0.2630 -0.0159 0.0922  -0.0823 82  PRO   B CB  
1025 C CG  . PRO   B 73  ? 0.6612 0.6099 0.2795 -0.0213 0.0927  -0.0916 82  PRO   B CG  
1026 C CD  . PRO   B 73  ? 0.6459 0.6120 0.2753 -0.0178 0.0962  -0.0942 82  PRO   B CD  
1027 N N   . TRP   B 74  ? 0.6489 0.5830 0.2331 0.0162  0.0807  -0.0724 83  TRP   B N   
1028 C CA  . TRP   B 74  ? 0.6523 0.5814 0.2290 0.0299  0.0735  -0.0706 83  TRP   B CA  
1029 C C   . TRP   B 74  ? 0.6664 0.5895 0.2448 0.0296  0.0672  -0.0779 83  TRP   B C   
1030 O O   . TRP   B 74  ? 0.6751 0.5881 0.2503 0.0193  0.0676  -0.0793 83  TRP   B O   
1031 C CB  . TRP   B 74  ? 0.6553 0.5740 0.2153 0.0346  0.0723  -0.0623 83  TRP   B CB  
1032 C CG  . TRP   B 74  ? 0.6529 0.5702 0.2056 0.0501  0.0668  -0.0592 83  TRP   B CG  
1033 C CD1 . TRP   B 74  ? 0.6642 0.5705 0.2063 0.0572  0.0596  -0.0606 83  TRP   B CD1 
1034 C CD2 . TRP   B 74  ? 0.6398 0.5670 0.1947 0.0606  0.0683  -0.0537 83  TRP   B CD2 
1035 N NE1 . TRP   B 74  ? 0.6614 0.5710 0.1979 0.0725  0.0568  -0.0565 83  TRP   B NE1 
1036 C CE2 . TRP   B 74  ? 0.6467 0.5694 0.1915 0.0744  0.0626  -0.0518 83  TRP   B CE2 
1037 C CE3 . TRP   B 74  ? 0.6262 0.5650 0.1910 0.0598  0.0740  -0.0506 83  TRP   B CE3 
1038 C CZ2 . TRP   B 74  ? 0.6393 0.5699 0.1836 0.0872  0.0636  -0.0457 83  TRP   B CZ2 
1039 C CZ3 . TRP   B 74  ? 0.6206 0.5657 0.1858 0.0711  0.0747  -0.0445 83  TRP   B CZ3 
1040 C CH2 . TRP   B 74  ? 0.6287 0.5705 0.1840 0.0847  0.0701  -0.0419 83  TRP   B CH2 
1041 N N   . LYS   B 75  ? 0.6695 0.5977 0.2518 0.0415  0.0613  -0.0820 84  LYS   B N   
1042 C CA  . LYS   B 75  ? 0.6854 0.6104 0.2722 0.0425  0.0538  -0.0912 84  LYS   B CA  
1043 C C   . LYS   B 75  ? 0.7004 0.6144 0.2726 0.0567  0.0452  -0.0899 84  LYS   B C   
1044 O O   . LYS   B 75  ? 0.7152 0.6219 0.2881 0.0559  0.0383  -0.0970 84  LYS   B O   
1045 C CB  . LYS   B 75  ? 0.6790 0.6193 0.2817 0.0467  0.0523  -0.0995 84  LYS   B CB  
1046 C CG  . LYS   B 75  ? 0.6700 0.6236 0.2883 0.0354  0.0597  -0.1027 84  LYS   B CG  
1047 C CD  . LYS   B 75  ? 0.6784 0.6299 0.3048 0.0187  0.0620  -0.1078 84  LYS   B CD  
1048 C CE  . LYS   B 75  ? 0.6700 0.6356 0.3100 0.0082  0.0706  -0.1099 84  LYS   B CE  
1049 N NZ  . LYS   B 75  ? 0.6693 0.6490 0.3286 0.0049  0.0687  -0.1214 84  LYS   B NZ  
1050 N N   . LEU   B 76  ? 0.7028 0.6163 0.2635 0.0683  0.0460  -0.0813 85  LEU   B N   
1051 C CA  . LEU   B 76  ? 0.7166 0.6238 0.2633 0.0856  0.0387  -0.0794 85  LEU   B CA  
1052 C C   . LEU   B 76  ? 0.7416 0.6312 0.2723 0.0841  0.0352  -0.0765 85  LEU   B C   
1053 O O   . LEU   B 76  ? 0.7405 0.6276 0.2638 0.0809  0.0402  -0.0683 85  LEU   B O   
1054 C CB  . LEU   B 76  ? 0.7029 0.6199 0.2468 0.0974  0.0433  -0.0707 85  LEU   B CB  
1055 C CG  . LEU   B 76  ? 0.6883 0.6201 0.2465 0.0976  0.0483  -0.0718 85  LEU   B CG  
1056 C CD1 . LEU   B 76  ? 0.6837 0.6226 0.2382 0.1116  0.0516  -0.0633 85  LEU   B CD1 
1057 C CD2 . LEU   B 76  ? 0.6911 0.6267 0.2584 0.0995  0.0427  -0.0830 85  LEU   B CD2 
1058 N N   . ASP   B 77  ? 0.7706 0.6477 0.2960 0.0862  0.0262  -0.0833 86  ASP   B N   
1059 C CA  . ASP   B 77  ? 0.8004 0.6575 0.3104 0.0830  0.0225  -0.0814 86  ASP   B CA  
1060 C C   . ASP   B 77  ? 0.8109 0.6574 0.3048 0.1004  0.0122  -0.0829 86  ASP   B C   
1061 O O   . ASP   B 77  ? 0.8275 0.6559 0.3065 0.1004  0.0079  -0.0816 86  ASP   B O   
1062 C CB  . ASP   B 77  ? 0.8256 0.6726 0.3432 0.0651  0.0224  -0.0875 86  ASP   B CB  
1063 C CG  . ASP   B 77  ? 0.8431 0.6939 0.3751 0.0640  0.0157  -0.0994 86  ASP   B CG  
1064 O OD1 . ASP   B 77  ? 0.8560 0.7161 0.3896 0.0792  0.0102  -0.1034 86  ASP   B OD1 
1065 O OD2 . ASP   B 77  ? 0.8688 0.7136 0.4105 0.0483  0.0162  -0.1047 86  ASP   B OD2 
1066 N N   . ALA   B 78  ? 0.8024 0.6588 0.2970 0.1163  0.0084  -0.0851 87  ALA   B N   
1067 C CA  . ALA   B 78  ? 0.8152 0.6623 0.2926 0.1350  -0.0013 -0.0865 87  ALA   B CA  
1068 C C   . ALA   B 78  ? 0.8129 0.6587 0.2745 0.1432  0.0026  -0.0750 87  ALA   B C   
1069 O O   . ALA   B 78  ? 0.7933 0.6508 0.2604 0.1377  0.0129  -0.0663 87  ALA   B O   
1070 C CB  . ALA   B 78  ? 0.8108 0.6694 0.2923 0.1504  -0.0058 -0.0919 87  ALA   B CB  
1071 N N   . ALA   B 79  ? 0.8324 0.6627 0.2747 0.1556  -0.0064 -0.0763 88  ALA   B N   
1072 C CA  . ALA   B 79  ? 0.8380 0.6664 0.2634 0.1664  -0.0049 -0.0671 88  ALA   B CA  
1073 C C   . ALA   B 79  ? 0.8484 0.6771 0.2590 0.1905  -0.0123 -0.0679 88  ALA   B C   
1074 O O   . ALA   B 79  ? 0.8613 0.6783 0.2669 0.1962  -0.0229 -0.0775 88  ALA   B O   
1075 C CB  . ALA   B 79  ? 0.8543 0.6615 0.2672 0.1580  -0.0081 -0.0669 88  ALA   B CB  
1076 N N   . TRP   B 80  ? 0.8450 0.6867 0.2495 0.2033  -0.0068 -0.0583 89  TRP   B N   
1077 C CA  . TRP   B 80  ? 0.8640 0.7055 0.2499 0.2273  -0.0122 -0.0563 89  TRP   B CA  
1078 C C   . TRP   B 80  ? 0.8947 0.7119 0.2620 0.2315  -0.0244 -0.0629 89  TRP   B C   
1079 O O   . TRP   B 80  ? 0.8935 0.6975 0.2579 0.2184  -0.0243 -0.0622 89  TRP   B O   
1080 C CB  . TRP   B 80  ? 0.8540 0.7119 0.2373 0.2355  -0.0031 -0.0439 89  TRP   B CB  
1081 C CG  . TRP   B 80  ? 0.8673 0.7283 0.2331 0.2608  -0.0074 -0.0418 89  TRP   B CG  
1082 C CD1 . TRP   B 80  ? 0.8803 0.7409 0.2389 0.2775  -0.0137 -0.0470 89  TRP   B CD1 
1083 C CD2 . TRP   B 80  ? 0.8744 0.7400 0.2269 0.2736  -0.0059 -0.0343 89  TRP   B CD2 
1084 N NE1 . TRP   B 80  ? 0.8912 0.7551 0.2317 0.3001  -0.0159 -0.0429 89  TRP   B NE1 
1085 C CE2 . TRP   B 80  ? 0.8899 0.7576 0.2271 0.2979  -0.0110 -0.0351 89  TRP   B CE2 
1086 C CE3 . TRP   B 80  ? 0.8713 0.7401 0.2231 0.2677  -0.0013 -0.0276 89  TRP   B CE3 
1087 C CZ2 . TRP   B 80  ? 0.8995 0.7739 0.2218 0.3160  -0.0105 -0.0288 89  TRP   B CZ2 
1088 C CZ3 . TRP   B 80  ? 0.8795 0.7550 0.2174 0.2854  -0.0015 -0.0220 89  TRP   B CZ3 
1089 C CH2 . TRP   B 80  ? 0.8929 0.7715 0.2165 0.3089  -0.0058 -0.0224 89  TRP   B CH2 
1090 N N   . ASP   B 81  ? 0.9172 0.7273 0.2712 0.2502  -0.0350 -0.0696 90  ASP   B N   
1091 C CA  . ASP   B 81  ? 0.9550 0.7394 0.2905 0.2562  -0.0487 -0.0777 90  ASP   B CA  
1092 C C   . ASP   B 81  ? 0.9736 0.7552 0.2871 0.2733  -0.0501 -0.0710 90  ASP   B C   
1093 O O   . ASP   B 81  ? 1.0004 0.7582 0.2969 0.2765  -0.0605 -0.0761 90  ASP   B O   
1094 C CB  . ASP   B 81  ? 0.9711 0.7477 0.3016 0.2693  -0.0614 -0.0897 90  ASP   B CB  
1095 C CG  . ASP   B 81  ? 0.9766 0.7681 0.2958 0.2966  -0.0622 -0.0871 90  ASP   B CG  
1096 O OD1 . ASP   B 81  ? 0.9697 0.7777 0.2858 0.3049  -0.0523 -0.0755 90  ASP   B OD1 
1097 O OD2 . ASP   B 81  ? 0.9940 0.7797 0.3068 0.3101  -0.0732 -0.0972 90  ASP   B OD2 
1098 N N   . GLY   B 82  ? 0.9669 0.7708 0.2823 0.2809  -0.0395 -0.0597 91  GLY   B N   
1099 C CA  . GLY   B 82  ? 0.9759 0.7831 0.2758 0.2937  -0.0379 -0.0520 91  GLY   B CA  
1100 C C   . GLY   B 82  ? 1.0031 0.8142 0.2851 0.3219  -0.0439 -0.0528 91  GLY   B C   
1101 O O   . GLY   B 82  ? 1.0045 0.8210 0.2719 0.3375  -0.0433 -0.0469 91  GLY   B O   
1102 N N   . LEU   B 83  ? 1.0155 0.8232 0.2969 0.3300  -0.0507 -0.0610 92  LEU   B N   
1103 C CA  . LEU   B 83  ? 1.0478 0.8539 0.3087 0.3582  -0.0595 -0.0648 92  LEU   B CA  
1104 C C   . LEU   B 83  ? 1.0331 0.8590 0.3012 0.3692  -0.0540 -0.0626 92  LEU   B C   
1105 O O   . LEU   B 83  ? 1.0465 0.8859 0.3020 0.3928  -0.0513 -0.0569 92  LEU   B O   
1106 C CB  . LEU   B 83  ? 1.0851 0.8619 0.3338 0.3595  -0.0768 -0.0794 92  LEU   B CB  
1107 C CG  . LEU   B 83  ? 1.1175 0.8705 0.3507 0.3563  -0.0842 -0.0813 92  LEU   B CG  
1108 C CD1 . LEU   B 83  ? 1.1416 0.8641 0.3718 0.3470  -0.0987 -0.0952 92  LEU   B CD1 
1109 C CD2 . LEU   B 83  ? 1.1390 0.8938 0.3472 0.3836  -0.0881 -0.0781 92  LEU   B CD2 
1110 N N   . SER   B 84  ? 1.0129 0.8392 0.2986 0.3549  -0.0534 -0.0680 93  SER   B N   
1111 C CA  . SER   B 84  ? 0.9956 0.8363 0.2853 0.3670  -0.0509 -0.0683 93  SER   B CA  
1112 C C   . SER   B 84  ? 0.9596 0.8256 0.2633 0.3639  -0.0333 -0.0540 93  SER   B C   
1113 O O   . SER   B 84  ? 0.9384 0.8106 0.2572 0.3446  -0.0237 -0.0470 93  SER   B O   
1114 C CB  . SER   B 84  ? 1.0060 0.8393 0.3093 0.3550  -0.0574 -0.0802 93  SER   B CB  
1115 O OG  . SER   B 84  ? 1.0365 0.8467 0.3380 0.3439  -0.0696 -0.0915 93  SER   B OG  
1116 N N   A GLU   B 85  ? 0.9571 0.8363 0.2564 0.3824  -0.0295 -0.0503 94  GLU   B N   
1117 N N   B GLU   B 85  ? 0.9571 0.8364 0.2564 0.3824  -0.0295 -0.0503 94  GLU   B N   
1118 N N   C GLU   B 85  ? 0.9574 0.8367 0.2566 0.3826  -0.0295 -0.0504 94  GLU   B N   
1119 N N   D GLU   B 85  ? 0.9574 0.8367 0.2566 0.3825  -0.0295 -0.0504 94  GLU   B N   
1120 C CA  A GLU   B 85  ? 0.9340 0.8349 0.2475 0.3797  -0.0132 -0.0376 94  GLU   B CA  
1121 C CA  B GLU   B 85  ? 0.9340 0.8349 0.2475 0.3796  -0.0132 -0.0376 94  GLU   B CA  
1122 C CA  C GLU   B 85  ? 0.9346 0.8354 0.2479 0.3800  -0.0134 -0.0378 94  GLU   B CA  
1123 C CA  D GLU   B 85  ? 0.9346 0.8354 0.2479 0.3800  -0.0134 -0.0378 94  GLU   B CA  
1124 C C   A GLU   B 85  ? 0.9117 0.8120 0.2472 0.3580  -0.0112 -0.0425 94  GLU   B C   
1125 C C   B GLU   B 85  ? 0.9117 0.8120 0.2472 0.3580  -0.0112 -0.0425 94  GLU   B C   
1126 C C   C GLU   B 85  ? 0.9118 0.8119 0.2474 0.3578  -0.0113 -0.0426 94  GLU   B C   
1127 C C   D GLU   B 85  ? 0.9118 0.8119 0.2474 0.3578  -0.0113 -0.0426 94  GLU   B C   
1128 O O   A GLU   B 85  ? 0.9159 0.8024 0.2533 0.3524  -0.0229 -0.0564 94  GLU   B O   
1129 O O   B GLU   B 85  ? 0.9160 0.8025 0.2534 0.3524  -0.0229 -0.0564 94  GLU   B O   
1130 O O   C GLU   B 85  ? 0.9153 0.8018 0.2529 0.3520  -0.0229 -0.0564 94  GLU   B O   
1131 O O   D GLU   B 85  ? 0.9152 0.8017 0.2529 0.3520  -0.0229 -0.0564 94  GLU   B O   
1132 C CB  A GLU   B 85  ? 0.9470 0.8589 0.2480 0.4058  -0.0102 -0.0330 94  GLU   B CB  
1133 C CB  B GLU   B 85  ? 0.9470 0.8589 0.2480 0.4058  -0.0102 -0.0330 94  GLU   B CB  
1134 C CB  C GLU   B 85  ? 0.9477 0.8591 0.2495 0.4053  -0.0106 -0.0338 94  GLU   B CB  
1135 C CB  D GLU   B 85  ? 0.9477 0.8592 0.2495 0.4053  -0.0106 -0.0338 94  GLU   B CB  
1136 C CG  A GLU   B 85  ? 0.9609 0.8792 0.2430 0.4268  -0.0081 -0.0252 94  GLU   B CG  
1137 C CG  B GLU   B 85  ? 0.9608 0.8791 0.2430 0.4267  -0.0081 -0.0252 94  GLU   B CG  
1138 C CG  C GLU   B 85  ? 0.9605 0.8810 0.2446 0.4269  -0.0064 -0.0243 94  GLU   B CG  
1139 C CG  D GLU   B 85  ? 0.9605 0.8810 0.2446 0.4269  -0.0064 -0.0243 94  GLU   B CG  
1140 C CD  A GLU   B 85  ? 0.9777 0.9058 0.2424 0.4560  -0.0052 -0.0200 94  GLU   B CD  
1141 C CD  B GLU   B 85  ? 0.9776 0.9057 0.2424 0.4559  -0.0053 -0.0200 94  GLU   B CD  
1142 C CD  C GLU   B 85  ? 0.9746 0.9066 0.2449 0.4534  -0.0014 -0.0178 94  GLU   B CD  
1143 C CD  D GLU   B 85  ? 0.9746 0.9066 0.2449 0.4534  -0.0014 -0.0178 94  GLU   B CD  
1144 O OE1 A GLU   B 85  ? 0.9772 0.9102 0.2454 0.4606  -0.0015 -0.0191 94  GLU   B OE1 
1145 O OE1 B GLU   B 85  ? 0.9771 0.9101 0.2454 0.4605  -0.0015 -0.0191 94  GLU   B OE1 
1146 O OE1 C GLU   B 85  ? 0.9819 0.9103 0.2502 0.4605  -0.0058 -0.0243 94  GLU   B OE1 
1147 O OE1 D GLU   B 85  ? 0.9820 0.9103 0.2502 0.4605  -0.0058 -0.0243 94  GLU   B OE1 
1148 O OE2 A GLU   B 85  ? 0.9931 0.9242 0.2382 0.4769  -0.0068 -0.0167 94  GLU   B OE2 
1149 O OE2 B GLU   B 85  ? 0.9931 0.9241 0.2383 0.4769  -0.0069 -0.0168 94  GLU   B OE2 
1150 O OE2 C GLU   B 85  ? 0.9810 0.9269 0.2403 0.4704  0.0072  -0.0057 94  GLU   B OE2 
1151 O OE2 D GLU   B 85  ? 0.9811 0.9270 0.2403 0.4704  0.0072  -0.0057 94  GLU   B OE2 
1152 N N   . VAL   B 86  ? 0.8877 0.8040 0.2396 0.3476  0.0035  -0.0310 95  VAL   B N   
1153 C CA  . VAL   B 86  ? 0.8607 0.7793 0.2343 0.3270  0.0081  -0.0333 95  VAL   B CA  
1154 C C   . VAL   B 86  ? 0.8413 0.7744 0.2200 0.3350  0.0188  -0.0243 95  VAL   B C   
1155 O O   . VAL   B 86  ? 0.8534 0.7960 0.2213 0.3530  0.0252  -0.0142 95  VAL   B O   
1156 C CB  . VAL   B 86  ? 0.8355 0.7557 0.2248 0.3026  0.0149  -0.0288 95  VAL   B CB  
1157 C CG1 . VAL   B 86  ? 0.8468 0.7496 0.2280 0.2964  0.0038  -0.0378 95  VAL   B CG1 
1158 C CG2 . VAL   B 86  ? 0.8281 0.7636 0.2200 0.3046  0.0274  -0.0139 95  VAL   B CG2 
1159 N N   . GLN   B 87  ? 0.8177 0.7525 0.2132 0.3210  0.0216  -0.0276 96  GLN   B N   
1160 C CA  . GLN   B 87  ? 0.8061 0.7525 0.2086 0.3250  0.0327  -0.0186 96  GLN   B CA  
1161 C C   . GLN   B 87  ? 0.7785 0.7324 0.2034 0.3017  0.0445  -0.0112 96  GLN   B C   
1162 O O   . GLN   B 87  ? 0.7674 0.7158 0.2042 0.2847  0.0402  -0.0203 96  GLN   B O   
1163 C CB  . GLN   B 87  ? 0.8122 0.7546 0.2122 0.3342  0.0253  -0.0289 96  GLN   B CB  
1164 C CG  . GLN   B 87  ? 0.8362 0.7741 0.2115 0.3622  0.0160  -0.0329 96  GLN   B CG  
1165 C CD  . GLN   B 87  ? 0.8464 0.7836 0.2157 0.3780  0.0106  -0.0401 96  GLN   B CD  
1166 O OE1 . GLN   B 87  ? 0.8373 0.7769 0.2188 0.3706  0.0127  -0.0429 96  GLN   B OE1 
1167 N NE2 . GLN   B 87  ? 0.8695 0.8030 0.2165 0.4037  0.0025  -0.0437 96  GLN   B NE2 
1168 N N   . LEU   B 88  ? 0.7683 0.7339 0.1985 0.3016  0.0576  0.0033  97  LEU   B N   
1169 C CA  . LEU   B 88  ? 0.7495 0.7222 0.2003 0.2839  0.0686  0.0101  97  LEU   B CA  
1170 C C   . LEU   B 88  ? 0.7511 0.7232 0.2040 0.2897  0.0704  0.0086  97  LEU   B C   
1171 O O   . LEU   B 88  ? 0.7642 0.7400 0.2057 0.3090  0.0751  0.0165  97  LEU   B O   
1172 C CB  . LEU   B 88  ? 0.7447 0.7301 0.2015 0.2832  0.0814  0.0257  97  LEU   B CB  
1173 C CG  . LEU   B 88  ? 0.7292 0.7210 0.2073 0.2659  0.0920  0.0325  97  LEU   B CG  
1174 C CD1 . LEU   B 88  ? 0.7159 0.7030 0.2071 0.2432  0.0877  0.0240  97  LEU   B CD1 
1175 C CD2 . LEU   B 88  ? 0.7283 0.7335 0.2129 0.2676  0.1045  0.0479  97  LEU   B CD2 
1176 N N   . LEU   B 89  ? 0.7388 0.7065 0.2042 0.2749  0.0666  -0.0010 98  LEU   B N   
1177 C CA  . LEU   B 89  ? 0.7383 0.7066 0.2086 0.2776  0.0698  -0.0014 98  LEU   B CA  
1178 C C   . LEU   B 89  ? 0.7270 0.7020 0.2120 0.2658  0.0833  0.0111  98  LEU   B C   
1179 O O   . LEU   B 89  ? 0.7111 0.6860 0.2129 0.2459  0.0848  0.0075  98  LEU   B O   
1180 C CB  . LEU   B 89  ? 0.7337 0.6965 0.2117 0.2675  0.0598  -0.0174 98  LEU   B CB  
1181 C CG  . LEU   B 89  ? 0.7324 0.6963 0.2191 0.2659  0.0615  -0.0211 98  LEU   B CG  
1182 C CD1 . LEU   B 89  ? 0.7414 0.7078 0.2218 0.2805  0.0712  -0.0085 98  LEU   B CD1 
1183 C CD2 . LEU   B 89  ? 0.7398 0.6999 0.2240 0.2713  0.0487  -0.0374 98  LEU   B CD2 
1184 N N   . ALA   B 90  ? 0.7336 0.7145 0.2125 0.2779  0.0931  0.0256  99  ALA   B N   
1185 C CA  . ALA   B 90  ? 0.7252 0.7127 0.2194 0.2665  0.1063  0.0386  99  ALA   B CA  
1186 C C   . ALA   B 90  ? 0.7260 0.7092 0.2268 0.2648  0.1102  0.0387  99  ALA   B C   
1187 O O   . ALA   B 90  ? 0.7377 0.7159 0.2260 0.2810  0.1072  0.0358  99  ALA   B O   
1188 C CB  . ALA   B 90  ? 0.7350 0.7312 0.2227 0.2791  0.1160  0.0538  99  ALA   B CB  
1189 N N   . VAL   B 91  ? 0.7111 0.6948 0.2313 0.2441  0.1143  0.0386  100 VAL   B N   
1190 C CA  . VAL   B 91  ? 0.7127 0.6918 0.2398 0.2419  0.1192  0.0404  100 VAL   B CA  
1191 C C   . VAL   B 91  ? 0.7105 0.6937 0.2515 0.2324  0.1320  0.0548  100 VAL   B C   
1192 O O   . VAL   B 91  ? 0.6946 0.6786 0.2527 0.2137  0.1335  0.0529  100 VAL   B O   
1193 C CB  . VAL   B 91  ? 0.7011 0.6762 0.2377 0.2286  0.1112  0.0254  100 VAL   B CB  
1194 C CG1 . VAL   B 91  ? 0.7046 0.6747 0.2475 0.2270  0.1153  0.0261  100 VAL   B CG1 
1195 C CG2 . VAL   B 91  ? 0.7047 0.6773 0.2305 0.2368  0.0988  0.0114  100 VAL   B CG2 
1196 N N   . PRO   B 92  ? 0.7233 0.7096 0.2583 0.2446  0.1420  0.0698  101 PRO   B N   
1197 C CA  . PRO   B 92  ? 0.7235 0.7143 0.2741 0.2347  0.1543  0.0835  101 PRO   B CA  
1198 C C   . PRO   B 92  ? 0.7309 0.7126 0.2899 0.2294  0.1601  0.0870  101 PRO   B C   
1199 O O   . PRO   B 92  ? 0.7425 0.7148 0.2897 0.2411  0.1581  0.0842  101 PRO   B O   
1200 C CB  . PRO   B 92  ? 0.7400 0.7367 0.2800 0.2518  0.1641  0.0988  101 PRO   B CB  
1201 C CG  . PRO   B 92  ? 0.7456 0.7424 0.2637 0.2700  0.1549  0.0915  101 PRO   B CG  
1202 C CD  . PRO   B 92  ? 0.7418 0.7287 0.2556 0.2687  0.1426  0.0749  101 PRO   B CD  
1203 N N   . PRO   B 93  ? 0.7281 0.7123 0.3078 0.2122  0.1676  0.0940  102 PRO   B N   
1204 C CA  . PRO   B 93  ? 0.7340 0.7083 0.3252 0.2028  0.1720  0.0960  102 PRO   B CA  
1205 C C   . PRO   B 93  ? 0.7610 0.7261 0.3386 0.2202  0.1802  0.1074  102 PRO   B C   
1206 O O   . PRO   B 93  ? 0.7722 0.7422 0.3457 0.2292  0.1900  0.1218  102 PRO   B O   
1207 C CB  . PRO   B 93  ? 0.7257 0.7069 0.3398 0.1850  0.1790  0.1036  102 PRO   B CB  
1208 C CG  . PRO   B 93  ? 0.7100 0.7039 0.3264 0.1795  0.1725  0.0968  102 PRO   B CG  
1209 C CD  . PRO   B 93  ? 0.7189 0.7159 0.3135 0.2002  0.1712  0.0991  102 PRO   B CD  
1210 N N   . GLY   B 94  ? 0.7730 0.7258 0.3427 0.2257  0.1759  0.1006  103 GLY   B N   
1211 C CA  . GLY   B 94  ? 0.8019 0.7426 0.3571 0.2423  0.1823  0.1096  103 GLY   B CA  
1212 C C   . GLY   B 94  ? 0.8218 0.7645 0.3525 0.2668  0.1814  0.1124  103 GLY   B C   
1213 O O   . GLY   B 94  ? 0.8426 0.7759 0.3586 0.2831  0.1885  0.1226  103 GLY   B O   
1214 N N   . GLU   B 95  ? 0.8200 0.7728 0.3443 0.2710  0.1728  0.1036  104 GLU   B N   
1215 C CA  . GLU   B 95  ? 0.8425 0.7973 0.3428 0.2953  0.1703  0.1046  104 GLU   B CA  
1216 C C   . GLU   B 95  ? 0.8429 0.7972 0.3350 0.2998  0.1539  0.0847  104 GLU   B C   
1217 O O   . GLU   B 95  ? 0.8180 0.7747 0.3250 0.2816  0.1462  0.0722  104 GLU   B O   
1218 C CB  . GLU   B 95  ? 0.8429 0.8104 0.3425 0.2981  0.1765  0.1149  104 GLU   B CB  
1219 C CG  . GLU   B 95  ? 0.8481 0.8198 0.3638 0.2875  0.1923  0.1329  104 GLU   B CG  
1220 C CD  . GLU   B 95  ? 0.8527 0.8398 0.3681 0.2928  0.2003  0.1447  104 GLU   B CD  
1221 O OE1 . GLU   B 95  ? 0.8419 0.8385 0.3566 0.2909  0.1908  0.1347  104 GLU   B OE1 
1222 O OE2 . GLU   B 95  ? 0.8687 0.8600 0.3912 0.2923  0.2152  0.1622  104 GLU   B OE2 
1223 N N   . ARG   B 96  ? 0.8671 0.8180 0.3368 0.3230  0.1490  0.0817  105 ARG   B N   
1224 C CA  . ARG   B 96  ? 0.8755 0.8259 0.3365 0.3305  0.1330  0.0628  105 ARG   B CA  
1225 C C   . ARG   B 96  ? 0.8607 0.8202 0.3250 0.3234  0.1257  0.0556  105 ARG   B C   
1226 O O   . ARG   B 96  ? 0.8584 0.8244 0.3182 0.3280  0.1321  0.0667  105 ARG   B O   
1227 C CB  . ARG   B 96  ? 0.9131 0.8575 0.3487 0.3590  0.1300  0.0626  105 ARG   B CB  
1228 C CG  . ARG   B 96  ? 0.9229 0.8671 0.3519 0.3666  0.1129  0.0419  105 ARG   B CG  
1229 C CD  . ARG   B 96  ? 0.9533 0.8904 0.3613 0.3922  0.1082  0.0383  105 ARG   B CD  
1230 N NE  . ARG   B 96  ? 0.9844 0.9191 0.3686 0.4167  0.1150  0.0516  105 ARG   B NE  
1231 C CZ  . ARG   B 96  ? 1.0090 0.9373 0.3852 0.4246  0.1298  0.0701  105 ARG   B CZ  
1232 N NH1 . ARG   B 96  ? 1.0054 0.9277 0.3960 0.4095  0.1387  0.0770  105 ARG   B NH1 
1233 N NH2 . ARG   B 96  ? 1.0371 0.9641 0.3898 0.4486  0.1357  0.0814  105 ARG   B NH2 
1234 N N   . ALA   B 97  ? 0.8459 0.8060 0.3193 0.3114  0.1138  0.0387  106 ALA   B N   
1235 C CA  . ALA   B 97  ? 0.8377 0.8026 0.3110 0.3068  0.1041  0.0287  106 ALA   B CA  
1236 C C   . ALA   B 97  ? 0.8583 0.8238 0.3095 0.3302  0.1006  0.0306  106 ALA   B C   
1237 O O   . ALA   B 97  ? 0.8681 0.8292 0.3043 0.3496  0.0970  0.0279  106 ALA   B O   
1238 C CB  . ALA   B 97  ? 0.8275 0.7908 0.3077 0.2986  0.0914  0.0100  106 ALA   B CB  
1239 N N   . LYS   B 98  ? 0.8608 0.8314 0.3097 0.3290  0.1004  0.0337  107 LYS   B N   
1240 C CA  . LYS   B 98  ? 0.8920 0.8642 0.3196 0.3511  0.0976  0.0364  107 LYS   B CA  
1241 C C   . LYS   B 98  ? 0.8808 0.8538 0.3082 0.3449  0.0873  0.0266  107 LYS   B C   
1242 O O   . LYS   B 98  ? 0.8577 0.8343 0.3011 0.3244  0.0905  0.0283  107 LYS   B O   
1243 C CB  . LYS   B 98  ? 0.9103 0.8889 0.3357 0.3569  0.1136  0.0566  107 LYS   B CB  
1244 C CG  . LYS   B 98  ? 0.9460 0.9280 0.3487 0.3821  0.1152  0.0637  107 LYS   B CG  
1245 C CD  . LYS   B 98  ? 0.9621 0.9536 0.3680 0.3834  0.1324  0.0842  107 LYS   B CD  
1246 C CE  . LYS   B 98  ? 0.9450 0.9430 0.3774 0.3564  0.1396  0.0893  107 LYS   B CE  
1247 N NZ  . LYS   B 98  ? 0.9594 0.9701 0.3951 0.3589  0.1534  0.1063  107 LYS   B NZ  
1248 N N   . ASN   B 99  ? 0.8839 0.8522 0.2929 0.3629  0.0740  0.0152  108 ASN   B N   
1249 C CA  . ASN   B 99  ? 0.8812 0.8478 0.2870 0.3593  0.0642  0.0071  108 ASN   B CA  
1250 C C   . ASN   B 99  ? 0.8807 0.8541 0.2748 0.3720  0.0723  0.0210  108 ASN   B C   
1251 O O   . ASN   B 99  ? 0.8948 0.8698 0.2710 0.3956  0.0758  0.0279  108 ASN   B O   
1252 C CB  . ASN   B 99  ? 0.8969 0.8552 0.2916 0.3692  0.0467  -0.0107 108 ASN   B CB  
1253 C CG  . ASN   B 99  ? 0.8955 0.8501 0.3059 0.3549  0.0391  -0.0253 108 ASN   B CG  
1254 O OD1 . ASN   B 99  ? 0.9018 0.8585 0.3190 0.3536  0.0445  -0.0232 108 ASN   B OD1 
1255 N ND2 . ASN   B 99  ? 0.8911 0.8408 0.3089 0.3421  0.0283  -0.0388 108 ASN   B ND2 
1256 N N   . ILE   B 100 ? 0.8581 0.8353 0.2591 0.3597  0.0740  0.0240  109 ILE   B N   
1257 C CA  . ILE   B 100 ? 0.8624 0.8470 0.2507 0.3739  0.0785  0.0340  109 ILE   B CA  
1258 C C   . ILE   B 100 ? 0.8573 0.8354 0.2384 0.3725  0.0655  0.0229  109 ILE   B C   
1259 O O   . ILE   B 100 ? 0.8434 0.8188 0.2393 0.3501  0.0630  0.0180  109 ILE   B O   
1260 C CB  . ILE   B 100 ? 0.8545 0.8518 0.2585 0.3621  0.0945  0.0502  109 ILE   B CB  
1261 C CG1 . ILE   B 100 ? 0.8567 0.8566 0.2717 0.3579  0.1066  0.0598  109 ILE   B CG1 
1262 C CG2 . ILE   B 100 ? 0.8654 0.8734 0.2581 0.3777  0.1004  0.0609  109 ILE   B CG2 
1263 C CD1 . ILE   B 100 ? 0.8775 0.8795 0.2753 0.3823  0.1139  0.0700  109 ILE   B CD1 
1264 N N   . GLN   B 101 ? 0.8701 0.8447 0.2287 0.3955  0.0576  0.0191  110 GLN   B N   
1265 C CA  . GLN   B 101 ? 0.8745 0.8397 0.2215 0.3988  0.0437  0.0080  110 GLN   B CA  
1266 C C   . GLN   B 101 ? 0.8708 0.8455 0.2149 0.4012  0.0504  0.0186  110 GLN   B C   
1267 O O   . GLN   B 101 ? 0.8810 0.8686 0.2185 0.4164  0.0615  0.0320  110 GLN   B O   
1268 C CB  . GLN   B 101 ? 0.9010 0.8574 0.2248 0.4239  0.0308  -0.0021 110 GLN   B CB  
1269 C CG  . GLN   B 101 ? 0.9135 0.8567 0.2237 0.4293  0.0143  -0.0155 110 GLN   B CG  
1270 C CD  . GLN   B 101 ? 0.9357 0.8668 0.2271 0.4512  -0.0026 -0.0314 110 GLN   B CD  
1271 O OE1 . GLN   B 101 ? 0.9310 0.8616 0.2308 0.4474  -0.0036 -0.0364 110 GLN   B OE1 
1272 N NE2 . GLN   B 101 ? 0.9519 0.8726 0.2261 0.4625  -0.0152 -0.0394 110 GLN   B NE2 
1273 N N   A THR   B 102 ? 0.8622 0.8310 0.2114 0.3864  0.0443  0.0128  111 THR   B N   
1274 N N   B THR   B 102 ? 0.8622 0.8310 0.2114 0.3864  0.0443  0.0128  111 THR   B N   
1275 N N   C THR   B 102 ? 0.8612 0.8303 0.2110 0.3859  0.0446  0.0131  111 THR   B N   
1276 N N   D THR   B 102 ? 0.8612 0.8302 0.2110 0.3859  0.0446  0.0131  111 THR   B N   
1277 C CA  A THR   B 102 ? 0.8600 0.8368 0.2072 0.3870  0.0483  0.0203  111 THR   B CA  
1278 C CA  B THR   B 102 ? 0.8600 0.8368 0.2072 0.3870  0.0483  0.0203  111 THR   B CA  
1279 C CA  C THR   B 102 ? 0.8597 0.8363 0.2065 0.3874  0.0481  0.0202  111 THR   B CA  
1280 C CA  D THR   B 102 ? 0.8597 0.8363 0.2065 0.3874  0.0481  0.0202  111 THR   B CA  
1281 C C   A THR   B 102 ? 0.8634 0.8244 0.2040 0.3801  0.0345  0.0082  111 THR   B C   
1282 C C   B THR   B 102 ? 0.8634 0.8244 0.2040 0.3801  0.0345  0.0082  111 THR   B C   
1283 C C   C THR   B 102 ? 0.8658 0.8258 0.2035 0.3832  0.0332  0.0074  111 THR   B C   
1284 C C   D THR   B 102 ? 0.8658 0.8258 0.2035 0.3832  0.0332  0.0074  111 THR   B C   
1285 O O   A THR   B 102 ? 0.8586 0.8064 0.2072 0.3638  0.0269  -0.0024 111 THR   B O   
1286 O O   B THR   B 102 ? 0.8586 0.8063 0.2072 0.3638  0.0269  -0.0024 111 THR   B O   
1287 O O   C THR   B 102 ? 0.8675 0.8122 0.2075 0.3736  0.0229  -0.0052 111 THR   B O   
1288 O O   D THR   B 102 ? 0.8675 0.8123 0.2075 0.3736  0.0229  -0.0052 111 THR   B O   
1289 C CB  A THR   B 102 ? 0.8399 0.8321 0.2100 0.3692  0.0635  0.0329  111 THR   B CB  
1290 C CB  B THR   B 102 ? 0.8399 0.8321 0.2100 0.3692  0.0635  0.0329  111 THR   B CB  
1291 C CB  C THR   B 102 ? 0.8387 0.8303 0.2084 0.3689  0.0628  0.0323  111 THR   B CB  
1292 C CB  D THR   B 102 ? 0.8387 0.8303 0.2084 0.3689  0.0628  0.0323  111 THR   B CB  
1293 O OG1 A THR   B 102 ? 0.8424 0.8472 0.2089 0.3767  0.0687  0.0416  111 THR   B OG1 
1294 O OG1 B THR   B 102 ? 0.8424 0.8472 0.2089 0.3766  0.0686  0.0415  111 THR   B OG1 
1295 O OG1 C THR   B 102 ? 0.8413 0.8446 0.2065 0.3765  0.0671  0.0403  111 THR   B OG1 
1296 O OG1 D THR   B 102 ? 0.8413 0.8446 0.2065 0.3765  0.0671  0.0403  111 THR   B OG1 
1297 C CG2 A THR   B 102 ? 0.8215 0.8069 0.2107 0.3414  0.0616  0.0268  111 THR   B CG2 
1298 C CG2 B THR   B 102 ? 0.8215 0.8069 0.2107 0.3414  0.0616  0.0268  111 THR   B CG2 
1299 C CG2 C THR   B 102 ? 0.8204 0.8047 0.2087 0.3413  0.0604  0.0258  111 THR   B CG2 
1300 C CG2 D THR   B 102 ? 0.8204 0.8046 0.2087 0.3413  0.0604  0.0258  111 THR   B CG2 
1301 N N   . LEU   B 103 ? 0.8733 0.8360 0.2002 0.3919  0.0319  0.0104  112 LEU   B N   
1302 C CA  . LEU   B 103 ? 0.8792 0.8258 0.1981 0.3858  0.0198  0.0009  112 LEU   B CA  
1303 C C   . LEU   B 103 ? 0.8608 0.8155 0.1970 0.3653  0.0278  0.0075  112 LEU   B C   
1304 O O   . LEU   B 103 ? 0.8546 0.8283 0.1941 0.3716  0.0382  0.0192  112 LEU   B O   
1305 C CB  . LEU   B 103 ? 0.9022 0.8468 0.1959 0.4113  0.0129  0.0001  112 LEU   B CB  
1306 C CG  . LEU   B 103 ? 0.9112 0.8379 0.1948 0.4065  0.0009  -0.0083 112 LEU   B CG  
1307 C CD1 . LEU   B 103 ? 0.9185 0.8203 0.1999 0.3969  -0.0130 -0.0235 112 LEU   B CD1 
1308 C CD2 . LEU   B 103 ? 0.9314 0.8583 0.1910 0.4315  -0.0045 -0.0078 112 LEU   B CD2 
1309 N N   A PRO   B 104 ? 0.8504 0.7930 0.1980 0.3420  0.0241  0.0009  113 PRO   B N   
1310 N N   B PRO   B 104 ? 0.8504 0.7930 0.1980 0.3420  0.0241  0.0009  113 PRO   B N   
1311 N N   C PRO   B 104 ? 0.8504 0.7930 0.1980 0.3420  0.0240  0.0008  113 PRO   B N   
1312 N N   D PRO   B 104 ? 0.8504 0.7930 0.1980 0.3421  0.0240  0.0008  113 PRO   B N   
1313 C CA  A PRO   B 104 ? 0.8362 0.7857 0.1983 0.3239  0.0307  0.0062  113 PRO   B CA  
1314 C CA  B PRO   B 104 ? 0.8362 0.7857 0.1983 0.3239  0.0307  0.0062  113 PRO   B CA  
1315 C CA  C PRO   B 104 ? 0.8362 0.7857 0.1983 0.3239  0.0306  0.0062  113 PRO   B CA  
1316 C CA  D PRO   B 104 ? 0.8362 0.7857 0.1983 0.3239  0.0306  0.0062  113 PRO   B CA  
1317 C C   A PRO   B 104 ? 0.8487 0.8011 0.1973 0.3353  0.0283  0.0093  113 PRO   B C   
1318 C C   B PRO   B 104 ? 0.8487 0.8011 0.1973 0.3353  0.0283  0.0093  113 PRO   B C   
1319 C C   C PRO   B 104 ? 0.8487 0.8012 0.1973 0.3354  0.0284  0.0093  113 PRO   B C   
1320 C C   D PRO   B 104 ? 0.8487 0.8012 0.1973 0.3354  0.0284  0.0093  113 PRO   B C   
1321 O O   A PRO   B 104 ? 0.8698 0.8090 0.1962 0.3516  0.0174  0.0030  113 PRO   B O   
1322 O O   B PRO   B 104 ? 0.8698 0.8090 0.1962 0.3516  0.0174  0.0030  113 PRO   B O   
1323 O O   C PRO   B 104 ? 0.8700 0.8093 0.1962 0.3518  0.0174  0.0030  113 PRO   B O   
1324 O O   D PRO   B 104 ? 0.8700 0.8093 0.1962 0.3519  0.0174  0.0030  113 PRO   B O   
1325 C CB  A PRO   B 104 ? 0.8293 0.7610 0.1992 0.3017  0.0245  -0.0035 113 PRO   B CB  
1326 C CB  B PRO   B 104 ? 0.8293 0.7610 0.1992 0.3017  0.0245  -0.0035 113 PRO   B CB  
1327 C CB  C PRO   B 104 ? 0.8294 0.7610 0.1992 0.3017  0.0245  -0.0035 113 PRO   B CB  
1328 C CB  D PRO   B 104 ? 0.8294 0.7610 0.1991 0.3017  0.0245  -0.0035 113 PRO   B CB  
1329 C CG  A PRO   B 104 ? 0.8335 0.7566 0.2023 0.3048  0.0191  -0.0115 113 PRO   B CG  
1330 C CG  B PRO   B 104 ? 0.8335 0.7566 0.2023 0.3048  0.0191  -0.0115 113 PRO   B CG  
1331 C CG  C PRO   B 104 ? 0.8335 0.7566 0.2023 0.3048  0.0191  -0.0115 113 PRO   B CG  
1332 C CG  D PRO   B 104 ? 0.8335 0.7566 0.2023 0.3048  0.0191  -0.0115 113 PRO   B CG  
1333 C CD  A PRO   B 104 ? 0.8531 0.7764 0.2013 0.3320  0.0139  -0.0119 113 PRO   B CD  
1334 C CD  B PRO   B 104 ? 0.8531 0.7764 0.2013 0.3320  0.0139  -0.0119 113 PRO   B CD  
1335 C CD  C PRO   B 104 ? 0.8532 0.7764 0.2013 0.3321  0.0138  -0.0119 113 PRO   B CD  
1336 C CD  D PRO   B 104 ? 0.8532 0.7764 0.2014 0.3321  0.0138  -0.0119 113 PRO   B CD  
1337 N N   A GLY   B 105 ? 0.8373 0.8098 0.2004 0.3291  0.0392  0.0195  114 GLY   B N   
1338 N N   B GLY   B 105 ? 0.8373 0.8098 0.2003 0.3290  0.0392  0.0195  114 GLY   B N   
1339 N N   C GLY   B 105 ? 0.8371 0.8101 0.2001 0.3296  0.0395  0.0197  114 GLY   B N   
1340 N N   D GLY   B 105 ? 0.8371 0.8101 0.2001 0.3296  0.0394  0.0197  114 GLY   B N   
1341 C CA  A GLY   B 105 ? 0.8418 0.8184 0.2010 0.3294  0.0380  0.0215  114 GLY   B CA  
1342 C CA  B GLY   B 105 ? 0.8418 0.8184 0.2010 0.3294  0.0380  0.0215  114 GLY   B CA  
1343 C CA  C GLY   B 105 ? 0.8405 0.8180 0.2007 0.3290  0.0386  0.0219  114 GLY   B CA  
1344 C CA  D GLY   B 105 ? 0.8405 0.8180 0.2007 0.3290  0.0386  0.0219  114 GLY   B CA  
1345 C C   A GLY   B 105 ? 0.8398 0.7986 0.2009 0.3098  0.0316  0.0143  114 GLY   B C   
1346 C C   B GLY   B 105 ? 0.8398 0.7986 0.2009 0.3097  0.0317  0.0143  114 GLY   B C   
1347 C C   C GLY   B 105 ? 0.8388 0.7977 0.2003 0.3097  0.0319  0.0143  114 GLY   B C   
1348 C C   D GLY   B 105 ? 0.8388 0.7977 0.2003 0.3098  0.0319  0.0143  114 GLY   B C   
1349 O O   A GLY   B 105 ? 0.8394 0.7805 0.2010 0.2989  0.0265  0.0066  114 GLY   B O   
1350 O O   B GLY   B 105 ? 0.8394 0.7805 0.2010 0.2989  0.0266  0.0066  114 GLY   B O   
1351 O O   C GLY   B 105 ? 0.8393 0.7797 0.1998 0.3002  0.0261  0.0062  114 GLY   B O   
1352 O O   D GLY   B 105 ? 0.8394 0.7798 0.1998 0.3003  0.0261  0.0062  114 GLY   B O   
1353 N N   A ILE   B 106 ? 0.8442 0.8065 0.2034 0.3079  0.0309  0.0161  115 ILE   B N   
1354 N N   B ILE   B 106 ? 0.8442 0.8065 0.2033 0.3079  0.0309  0.0161  115 ILE   B N   
1355 N N   C ILE   B 106 ? 0.8413 0.8049 0.2034 0.3058  0.0321  0.0165  115 ILE   B N   
1356 N N   D ILE   B 106 ? 0.8413 0.8049 0.2034 0.3058  0.0321  0.0165  115 ILE   B N   
1357 C CA  A ILE   B 106 ? 0.8444 0.7913 0.2038 0.2903  0.0263  0.0110  115 ILE   B CA  
1358 C CA  B ILE   B 106 ? 0.8444 0.7913 0.2038 0.2903  0.0263  0.0110  115 ILE   B CA  
1359 C CA  C ILE   B 106 ? 0.8430 0.7894 0.2036 0.2892  0.0266  0.0108  115 ILE   B CA  
1360 C CA  D ILE   B 106 ? 0.8430 0.7894 0.2036 0.2892  0.0266  0.0108  115 ILE   B CA  
1361 C C   A ILE   B 106 ? 0.8294 0.7968 0.2091 0.2784  0.0353  0.0175  115 ILE   B C   
1362 C C   B ILE   B 106 ? 0.8294 0.7967 0.2091 0.2784  0.0353  0.0175  115 ILE   B C   
1363 C C   C ILE   B 106 ? 0.8313 0.7962 0.2084 0.2789  0.0341  0.0168  115 ILE   B C   
1364 C C   D ILE   B 106 ? 0.8313 0.7962 0.2084 0.2789  0.0341  0.0168  115 ILE   B C   
1365 O O   A ILE   B 106 ? 0.8266 0.8175 0.2129 0.2884  0.0416  0.0250  115 ILE   B O   
1366 O O   B ILE   B 106 ? 0.8266 0.8174 0.2129 0.2884  0.0416  0.0250  115 ILE   B O   
1367 O O   C ILE   B 106 ? 0.8329 0.8174 0.2110 0.2909  0.0376  0.0228  115 ILE   B O   
1368 O O   D ILE   B 106 ? 0.8329 0.8174 0.2110 0.2909  0.0376  0.0228  115 ILE   B O   
1369 C CB  A ILE   B 106 ? 0.8675 0.7949 0.2014 0.3009  0.0146  0.0055  115 ILE   B CB  
1370 C CB  B ILE   B 106 ? 0.8675 0.7949 0.2014 0.3008  0.0146  0.0055  115 ILE   B CB  
1371 C CB  C ILE   B 106 ? 0.8677 0.7917 0.2013 0.3005  0.0139  0.0041  115 ILE   B CB  
1372 C CB  D ILE   B 106 ? 0.8677 0.7917 0.2013 0.3005  0.0139  0.0041  115 ILE   B CB  
1373 C CG1 A ILE   B 106 ? 0.8877 0.7944 0.2014 0.3140  0.0044  -0.0017 115 ILE   B CG1 
1374 C CG1 B ILE   B 106 ? 0.8877 0.7944 0.2014 0.3139  0.0044  -0.0017 115 ILE   B CG1 
1375 C CG1 C ILE   B 106 ? 0.8809 0.7778 0.2033 0.2981  0.0045  -0.0053 115 ILE   B CG1 
1376 C CG1 D ILE   B 106 ? 0.8809 0.7779 0.2033 0.2981  0.0045  -0.0053 115 ILE   B CG1 
1377 C CG2 A ILE   B 106 ? 0.8689 0.7792 0.2012 0.2836  0.0109  0.0014  115 ILE   B CG2 
1378 C CG2 B ILE   B 106 ? 0.8689 0.7791 0.2012 0.2836  0.0109  0.0014  115 ILE   B CG2 
1379 C CG2 C ILE   B 106 ? 0.8706 0.7876 0.1999 0.2921  0.0112  0.0033  115 ILE   B CG2 
1380 C CG2 D ILE   B 106 ? 0.8706 0.7876 0.1999 0.2921  0.0112  0.0033  115 ILE   B CG2 
1381 C CD1 A ILE   B 106 ? 0.8892 0.7731 0.2049 0.2981  -0.0006 -0.0100 115 ILE   B CD1 
1382 C CD1 B ILE   B 106 ? 0.8892 0.7730 0.2049 0.2981  -0.0006 -0.0100 115 ILE   B CD1 
1383 C CD1 C ILE   B 106 ? 0.9082 0.7849 0.2031 0.3156  -0.0081 -0.0114 115 ILE   B CD1 
1384 C CD1 D ILE   B 106 ? 0.9082 0.7849 0.2031 0.3156  -0.0081 -0.0114 115 ILE   B CD1 
1385 N N   . PHE   B 107 ? 0.8217 0.7808 0.2112 0.2581  0.0359  0.0145  116 PHE   B N   
1386 C CA  . PHE   B 107 ? 0.8171 0.7883 0.2195 0.2470  0.0400  0.0173  116 PHE   B CA  
1387 C C   . PHE   B 107 ? 0.8499 0.7991 0.2308 0.2478  0.0300  0.0115  116 PHE   B C   
1388 O O   . PHE   B 107 ? 0.8641 0.7884 0.2343 0.2412  0.0243  0.0052  116 PHE   B O   
1389 C CB  . PHE   B 107 ? 0.7968 0.7710 0.2208 0.2263  0.0465  0.0173  116 PHE   B CB  
1390 C CG  . PHE   B 107 ? 0.7786 0.7764 0.2261 0.2238  0.0573  0.0244  116 PHE   B CG  
1391 C CD1 . PHE   B 107 ? 0.7787 0.7939 0.2281 0.2393  0.0623  0.0315  116 PHE   B CD1 
1392 C CD2 . PHE   B 107 ? 0.7633 0.7646 0.2305 0.2057  0.0629  0.0244  116 PHE   B CD2 
1393 C CE1 . PHE   B 107 ? 0.7659 0.8005 0.2367 0.2359  0.0730  0.0390  116 PHE   B CE1 
1394 C CE2 . PHE   B 107 ? 0.7491 0.7690 0.2374 0.2029  0.0725  0.0310  116 PHE   B CE2 
1395 C CZ  . PHE   B 107 ? 0.7529 0.7888 0.2430 0.2175  0.0778  0.0387  116 PHE   B CZ  
1396 N N   . LYS   B 108 ? 0.8703 0.8277 0.2426 0.2593  0.0274  0.0134  117 LYS   B N   
1397 C CA  . LYS   B 108 ? 0.8935 0.8312 0.2454 0.2603  0.0186  0.0089  117 LYS   B CA  
1398 C C   . LYS   B 108 ? 0.8811 0.8274 0.2470 0.2452  0.0223  0.0096  117 LYS   B C   
1399 O O   . LYS   B 108 ? 0.8579 0.8324 0.2428 0.2459  0.0285  0.0143  117 LYS   B O   
1400 C CB  . LYS   B 108 ? 0.9218 0.8621 0.2544 0.2830  0.0125  0.0094  117 LYS   B CB  
1401 C CG  . LYS   B 108 ? 0.9487 0.8820 0.2672 0.2998  0.0086  0.0083  117 LYS   B CG  
1402 C CD  . LYS   B 108 ? 0.9830 0.9083 0.2749 0.3225  -0.0005 0.0062  117 LYS   B CD  
1403 C CE  . LYS   B 108 ? 1.0131 0.9155 0.2848 0.3339  -0.0088 0.0009  117 LYS   B CE  
1404 N NZ  . LYS   B 108 ? 1.0468 0.9497 0.2963 0.3601  -0.0157 0.0001  117 LYS   B NZ  
1405 N N   . THR   B 109 ? 0.8850 0.8087 0.2441 0.2311  0.0194  0.0052  118 THR   B N   
1406 C CA  . THR   B 109 ? 0.8873 0.8134 0.2547 0.2168  0.0216  0.0045  118 THR   B CA  
1407 C C   . THR   B 109 ? 0.9152 0.8138 0.2560 0.2179  0.0135  0.0007  118 THR   B C   
1408 O O   . THR   B 109 ? 0.9284 0.8026 0.2475 0.2247  0.0070  -0.0017 118 THR   B O   
1409 C CB  . THR   B 109 ? 0.8685 0.7934 0.2538 0.1972  0.0279  0.0036  118 THR   B CB  
1410 O OG1 . THR   B 109 ? 0.8768 0.7725 0.2473 0.1889  0.0242  -0.0008 118 THR   B OG1 
1411 C CG2 . THR   B 109 ? 0.8523 0.7912 0.2555 0.1968  0.0341  0.0062  118 THR   B CG2 
1412 N N   . LYS   B 110 ? 0.9290 0.8305 0.2712 0.2115  0.0137  0.0002  119 LYS   B N   
1413 C CA  . LYS   B 110 ? 0.9646 0.8397 0.2805 0.2124  0.0070  -0.0024 119 LYS   B CA  
1414 C C   . LYS   B 110 ? 0.9881 0.8316 0.2921 0.2003  0.0064  -0.0048 119 LYS   B C   
1415 O O   . LYS   B 110 ? 1.0337 0.8479 0.3102 0.2044  -0.0001 -0.0063 119 LYS   B O   
1416 C CB  . LYS   B 110 ? 0.9545 0.8401 0.2764 0.2063  0.0082  -0.0029 119 LYS   B CB  
1417 C CG  . LYS   B 110 ? 0.9320 0.8331 0.2806 0.1891  0.0161  -0.0027 119 LYS   B CG  
1418 C CD  . LYS   B 110 ? 0.9399 0.8467 0.2904 0.1837  0.0156  -0.0047 119 LYS   B CD  
1419 C CE  . LYS   B 110 ? 0.9494 0.8298 0.2855 0.1715  0.0161  -0.0066 119 LYS   B CE  
1420 N NZ  . LYS   B 110 ? 0.9348 0.8198 0.2915 0.1548  0.0237  -0.0070 119 LYS   B NZ  
1421 N N   . ASP   B 111 ? 0.9719 0.8204 0.2957 0.1855  0.0130  -0.0051 120 ASP   B N   
1422 C CA  . ASP   B 111 ? 0.9862 0.8095 0.3042 0.1720  0.0137  -0.0077 120 ASP   B CA  
1423 C C   . ASP   B 111 ? 0.9990 0.8156 0.3173 0.1762  0.0114  -0.0095 120 ASP   B C   
1424 O O   . ASP   B 111 ? 1.0076 0.8095 0.3285 0.1634  0.0129  -0.0123 120 ASP   B O   
1425 C CB  . ASP   B 111 ? 0.9662 0.7987 0.3046 0.1537  0.0218  -0.0081 120 ASP   B CB  
1426 C CG  . ASP   B 111 ? 0.9640 0.8047 0.3030 0.1505  0.0233  -0.0072 120 ASP   B CG  
1427 O OD1 . ASP   B 111 ? 0.9745 0.7973 0.2909 0.1544  0.0189  -0.0073 120 ASP   B OD1 
1428 O OD2 . ASP   B 111 ? 0.9507 0.8146 0.3118 0.1449  0.0284  -0.0067 120 ASP   B OD2 
1429 N N   . GLY   B 112 ? 0.9983 0.8273 0.3153 0.1932  0.0084  -0.0083 121 GLY   B N   
1430 C CA  . GLY   B 112 ? 1.0148 0.8328 0.3229 0.2032  0.0030  -0.0108 121 GLY   B CA  
1431 C C   . GLY   B 112 ? 0.9919 0.8352 0.3185 0.2096  0.0073  -0.0089 121 GLY   B C   
1432 O O   . GLY   B 112 ? 0.9790 0.8492 0.3257 0.2071  0.0149  -0.0046 121 GLY   B O   
1433 N N   . ASP   B 113 ? 1.0005 0.8342 0.3202 0.2179  0.0026  -0.0121 122 ASP   B N   
1434 C CA  . ASP   B 113 ? 0.9793 0.8332 0.3093 0.2295  0.0052  -0.0101 122 ASP   B CA  
1435 C C   . ASP   B 113 ? 0.9449 0.8043 0.2949 0.2165  0.0108  -0.0118 122 ASP   B C   
1436 O O   . ASP   B 113 ? 0.9478 0.7873 0.2951 0.2071  0.0070  -0.0179 122 ASP   B O   
1437 C CB  . ASP   B 113 ? 1.0153 0.8555 0.3247 0.2482  -0.0041 -0.0137 122 ASP   B CB  
1438 C CG  . ASP   B 113 ? 1.0417 0.8839 0.3325 0.2682  -0.0092 -0.0117 122 ASP   B CG  
1439 O OD1 . ASP   B 113 ? 1.0544 0.9085 0.3474 0.2677  -0.0061 -0.0075 122 ASP   B OD1 
1440 O OD2 . ASP   B 113 ? 1.0793 0.9111 0.3527 0.2852  -0.0172 -0.0150 122 ASP   B OD2 
1441 N N   . ILE   B 114 ? 0.9049 0.7908 0.2747 0.2170  0.0194  -0.0065 123 ILE   B N   
1442 C CA  . ILE   B 114 ? 0.8746 0.7679 0.2628 0.2080  0.0249  -0.0074 123 ILE   B CA  
1443 C C   . ILE   B 114 ? 0.8574 0.7627 0.2451 0.2254  0.0256  -0.0050 123 ILE   B C   
1444 O O   . ILE   B 114 ? 0.8452 0.7681 0.2336 0.2373  0.0293  0.0016  123 ILE   B O   
1445 C CB  . ILE   B 114 ? 0.8537 0.7653 0.2647 0.1938  0.0348  -0.0031 123 ILE   B CB  
1446 C CG1 . ILE   B 114 ? 0.8610 0.7667 0.2710 0.1812  0.0350  -0.0036 123 ILE   B CG1 
1447 C CG2 . ILE   B 114 ? 0.8460 0.7596 0.2725 0.1836  0.0389  -0.0056 123 ILE   B CG2 
1448 C CD1 . ILE   B 114 ? 0.8418 0.7690 0.2727 0.1723  0.0433  0.0009  123 ILE   B CD1 
1449 N N   . GLY   B 115 ? 0.8480 0.7471 0.2375 0.2259  0.0234  -0.0098 124 GLY   B N   
1450 C CA  . GLY   B 115 ? 0.8379 0.7489 0.2270 0.2426  0.0250  -0.0071 124 GLY   B CA  
1451 C C   . GLY   B 115 ? 0.8116 0.7478 0.2199 0.2406  0.0372  0.0022  124 GLY   B C   
1452 O O   . GLY   B 115 ? 0.7888 0.7306 0.2140 0.2234  0.0433  0.0037  124 GLY   B O   
1453 N N   . ALA   B 116 ? 0.8017 0.7534 0.2083 0.2574  0.0416  0.0090  125 ALA   B N   
1454 C CA  . ALA   B 116 ? 0.7832 0.7577 0.2096 0.2538  0.0540  0.0187  125 ALA   B CA  
1455 C C   . ALA   B 116 ? 0.7880 0.7711 0.2115 0.2703  0.0579  0.0234  125 ALA   B C   
1456 O O   . ALA   B 116 ? 0.7988 0.7766 0.2030 0.2892  0.0517  0.0213  125 ALA   B O   
1457 C CB  . ALA   B 116 ? 0.7812 0.7716 0.2128 0.2548  0.0587  0.0258  125 ALA   B CB  
1458 N N   A VAL   B 117 ? 0.7747 0.7692 0.2155 0.2641  0.0676  0.0291  126 VAL   B N   
1459 N N   B VAL   B 117 ? 0.7747 0.7707 0.2160 0.2642  0.0682  0.0299  126 VAL   B N   
1460 N N   C VAL   B 117 ? 0.7746 0.7691 0.2154 0.2641  0.0676  0.0291  126 VAL   B N   
1461 N N   D VAL   B 117 ? 0.7745 0.7706 0.2159 0.2642  0.0682  0.0299  126 VAL   B N   
1462 C CA  A VAL   B 117 ? 0.7827 0.7863 0.2200 0.2809  0.0733  0.0357  126 VAL   B CA  
1463 C CA  B VAL   B 117 ? 0.7817 0.7856 0.2208 0.2792  0.0739  0.0358  126 VAL   B CA  
1464 C CA  C VAL   B 117 ? 0.7828 0.7864 0.2201 0.2809  0.0734  0.0357  126 VAL   B CA  
1465 C CA  D VAL   B 117 ? 0.7818 0.7857 0.2209 0.2792  0.0739  0.0358  126 VAL   B CA  
1466 C C   A VAL   B 117 ? 0.7768 0.8034 0.2282 0.2828  0.0868  0.0494  126 VAL   B C   
1467 C C   B VAL   B 117 ? 0.7763 0.8031 0.2287 0.2824  0.0874  0.0497  126 VAL   B C   
1468 C C   C VAL   B 117 ? 0.7769 0.8035 0.2283 0.2828  0.0868  0.0494  126 VAL   B C   
1469 C C   D VAL   B 117 ? 0.7764 0.8032 0.2288 0.2824  0.0874  0.0497  126 VAL   B C   
1470 O O   A VAL   B 117 ? 0.7633 0.7982 0.2357 0.2656  0.0937  0.0532  126 VAL   B O   
1471 O O   B VAL   B 117 ? 0.7623 0.7977 0.2360 0.2658  0.0950  0.0541  126 VAL   B O   
1472 O O   C VAL   B 117 ? 0.7634 0.7984 0.2359 0.2657  0.0937  0.0532  126 VAL   B O   
1473 O O   D VAL   B 117 ? 0.7624 0.7979 0.2362 0.2659  0.0950  0.0541  126 VAL   B O   
1474 C CB  A VAL   B 117 ? 0.7795 0.7755 0.2207 0.2778  0.0734  0.0317  126 VAL   B CB  
1475 C CB  B VAL   B 117 ? 0.7763 0.7720 0.2224 0.2714  0.0739  0.0311  126 VAL   B CB  
1476 C CB  C VAL   B 117 ? 0.7794 0.7755 0.2207 0.2778  0.0734  0.0317  126 VAL   B CB  
1477 C CB  D VAL   B 117 ? 0.7763 0.7720 0.2224 0.2714  0.0739  0.0311  126 VAL   B CB  
1478 C CG1 A VAL   B 117 ? 0.7880 0.7638 0.2166 0.2778  0.0601  0.0180  126 VAL   B CG1 
1479 C CG1 B VAL   B 117 ? 0.7758 0.7837 0.2290 0.2789  0.0849  0.0411  126 VAL   B CG1 
1480 C CG1 C VAL   B 117 ? 0.7879 0.7638 0.2165 0.2778  0.0601  0.0180  126 VAL   B CG1 
1481 C CG1 D VAL   B 117 ? 0.7758 0.7837 0.2291 0.2789  0.0849  0.0411  126 VAL   B CG1 
1482 C CG2 A VAL   B 117 ? 0.7624 0.7633 0.2266 0.2576  0.0812  0.0342  126 VAL   B CG2 
1483 C CG2 B VAL   B 117 ? 0.7886 0.7661 0.2182 0.2787  0.0614  0.0191  126 VAL   B CG2 
1484 C CG2 C VAL   B 117 ? 0.7625 0.7634 0.2267 0.2576  0.0812  0.0342  126 VAL   B CG2 
1485 C CG2 D VAL   B 117 ? 0.7886 0.7661 0.2182 0.2788  0.0614  0.0191  126 VAL   B CG2 
1486 N N   . ALA   B 118 ? 0.7883 0.8249 0.2291 0.3042  0.0913  0.0570  127 ALA   B N   
1487 C CA  . ALA   B 118 ? 0.7859 0.8456 0.2399 0.3076  0.1051  0.0711  127 ALA   B CA  
1488 C C   . ALA   B 118 ? 0.7930 0.8559 0.2501 0.3136  0.1145  0.0789  127 ALA   B C   
1489 O O   . ALA   B 118 ? 0.7999 0.8685 0.2424 0.3352  0.1179  0.0849  127 ALA   B O   
1490 C CB  . ALA   B 118 ? 0.7994 0.8695 0.2391 0.3268  0.1041  0.0746  127 ALA   B CB  
1491 N N   . LEU   B 119 ? 0.7829 0.8399 0.2551 0.2971  0.1173  0.0776  128 LEU   B N   
1492 C CA  . LEU   B 119 ? 0.7903 0.8489 0.2676 0.3003  0.1270  0.0855  128 LEU   B CA  
1493 C C   . LEU   B 119 ? 0.7834 0.8499 0.2880 0.2793  0.1367  0.0919  128 LEU   B C   
1494 O O   . LEU   B 119 ? 0.7743 0.8353 0.2901 0.2606  0.1312  0.0837  128 LEU   B O   
1495 C CB  . LEU   B 119 ? 0.7927 0.8327 0.2583 0.3030  0.1181  0.0748  128 LEU   B CB  
1496 C CG  . LEU   B 119 ? 0.8057 0.8353 0.2456 0.3219  0.1058  0.0656  128 LEU   B CG  
1497 C CD1 . LEU   B 119 ? 0.8039 0.8158 0.2390 0.3177  0.0948  0.0519  128 LEU   B CD1 
1498 C CD2 . LEU   B 119 ? 0.8246 0.8613 0.2474 0.3479  0.1113  0.0746  128 LEU   B CD2 
1499 N N   . ASP   B 120 ? 0.7964 0.8752 0.3117 0.2820  0.1506  0.1059  129 ASP   B N   
1500 C CA  . ASP   B 120 ? 0.7918 0.8768 0.3343 0.2618  0.1595  0.1117  129 ASP   B CA  
1501 C C   . ASP   B 120 ? 0.7927 0.8664 0.3372 0.2596  0.1641  0.1141  129 ASP   B C   
1502 O O   . ASP   B 120 ? 0.8080 0.8812 0.3403 0.2763  0.1703  0.1221  129 ASP   B O   
1503 C CB  . ASP   B 120 ? 0.8040 0.9109 0.3626 0.2617  0.1724  0.1259  129 ASP   B CB  
1504 C CG  . ASP   B 120 ? 0.7957 0.9092 0.3836 0.2374  0.1752  0.1258  129 ASP   B CG  
1505 O OD1 . ASP   B 120 ? 0.7981 0.8983 0.3938 0.2222  0.1710  0.1184  129 ASP   B OD1 
1506 O OD2 . ASP   B 120 ? 0.8051 0.9378 0.4079 0.2347  0.1812  0.1326  129 ASP   B OD2 
1507 N N   . TYR   B 121 ? 0.7774 0.8423 0.3356 0.2409  0.1610  0.1072  130 TYR   B N   
1508 C CA  . TYR   B 121 ? 0.7798 0.8338 0.3436 0.2354  0.1648  0.1082  130 TYR   B CA  
1509 C C   . TYR   B 121 ? 0.7589 0.8165 0.3492 0.2132  0.1693  0.1099  130 TYR   B C   
1510 O O   . TYR   B 121 ? 0.7489 0.8157 0.3506 0.2024  0.1667  0.1070  130 TYR   B O   
1511 C CB  . TYR   B 121 ? 0.7900 0.8279 0.3391 0.2383  0.1528  0.0941  130 TYR   B CB  
1512 C CG  . TYR   B 121 ? 0.8182 0.8520 0.3426 0.2618  0.1496  0.0938  130 TYR   B CG  
1513 C CD1 . TYR   B 121 ? 0.8397 0.8699 0.3561 0.2751  0.1567  0.1018  130 TYR   B CD1 
1514 C CD2 . TYR   B 121 ? 0.8311 0.8648 0.3392 0.2723  0.1401  0.0866  130 TYR   B CD2 
1515 C CE1 . TYR   B 121 ? 0.8626 0.8896 0.3552 0.2986  0.1538  0.1017  130 TYR   B CE1 
1516 C CE2 . TYR   B 121 ? 0.8544 0.8846 0.3395 0.2954  0.1367  0.0862  130 TYR   B CE2 
1517 C CZ  . TYR   B 121 ? 0.8688 0.8960 0.3461 0.3086  0.1432  0.0932  130 TYR   B CZ  
1518 O OH  . TYR   B 121 ? 0.9189 0.9425 0.3724 0.3328  0.1398  0.0926  130 TYR   B OH  
1519 N N   . PRO   B 122 ? 0.7503 0.8004 0.3505 0.2062  0.1753  0.1138  131 PRO   B N   
1520 C CA  . PRO   B 122 ? 0.7363 0.7883 0.3615 0.1855  0.1786  0.1144  131 PRO   B CA  
1521 C C   . PRO   B 122 ? 0.7092 0.7564 0.3376 0.1718  0.1666  0.0990  131 PRO   B C   
1522 O O   . PRO   B 122 ? 0.7045 0.7432 0.3157 0.1786  0.1576  0.0892  131 PRO   B O   
1523 C CB  . PRO   B 122 ? 0.7484 0.7880 0.3758 0.1853  0.1849  0.1195  131 PRO   B CB  
1524 C CG  . PRO   B 122 ? 0.7688 0.8062 0.3751 0.2077  0.1898  0.1277  131 PRO   B CG  
1525 C CD  . PRO   B 122 ? 0.7679 0.8063 0.3549 0.2188  0.1785  0.1172  131 PRO   B CD  
1526 N N   . ALA   B 123 ? 0.6935 0.7459 0.3427 0.1542  0.1668  0.0973  132 ALA   B N   
1527 C CA  . ALA   B 123 ? 0.6729 0.7203 0.3265 0.1399  0.1570  0.0837  132 ALA   B CA  
1528 C C   . ALA   B 123 ? 0.6653 0.6966 0.3094 0.1392  0.1513  0.0740  132 ALA   B C   
1529 O O   . ALA   B 123 ? 0.6560 0.6820 0.2915 0.1362  0.1419  0.0621  132 ALA   B O   
1530 C CB  . ALA   B 123 ? 0.6679 0.7217 0.3462 0.1229  0.1597  0.0848  132 ALA   B CB  
1531 N N   . GLY   B 124 ? 0.6656 0.6891 0.3109 0.1427  0.1572  0.0792  133 GLY   B N   
1532 C CA  . GLY   B 124 ? 0.6599 0.6697 0.2983 0.1427  0.1523  0.0702  133 GLY   B CA  
1533 C C   . GLY   B 124 ? 0.6584 0.6633 0.2752 0.1575  0.1458  0.0639  133 GLY   B C   
1534 O O   . GLY   B 124 ? 0.6585 0.6535 0.2701 0.1588  0.1415  0.0558  133 GLY   B O   
1535 N N   . THR   B 125 ? 0.6552 0.6679 0.2608 0.1683  0.1447  0.0672  134 THR   B N   
1536 C CA  . THR   B 125 ? 0.6574 0.6657 0.2429 0.1813  0.1363  0.0596  134 THR   B CA  
1537 C C   . THR   B 125 ? 0.6445 0.6509 0.2288 0.1710  0.1263  0.0471  134 THR   B C   
1538 O O   . THR   B 125 ? 0.6464 0.6465 0.2171 0.1768  0.1175  0.0374  134 THR   B O   
1539 C CB  . THR   B 125 ? 0.6712 0.6853 0.2427 0.2006  0.1401  0.0691  134 THR   B CB  
1540 O OG1 . THR   B 125 ? 0.6802 0.6943 0.2563 0.2051  0.1507  0.0807  134 THR   B OG1 
1541 C CG2 . THR   B 125 ? 0.6810 0.6891 0.2304 0.2178  0.1319  0.0622  134 THR   B CG2 
1542 N N   . SER   B 126 ? 0.6296 0.6399 0.2282 0.1551  0.1271  0.0460  135 SER   B N   
1543 C CA  . SER   B 126 ? 0.6188 0.6271 0.2164 0.1445  0.1192  0.0360  135 SER   B CA  
1544 C C   . SER   B 126 ? 0.6135 0.6117 0.2065 0.1389  0.1118  0.0231  135 SER   B C   
1545 O O   . SER   B 126 ? 0.6107 0.6057 0.2124 0.1322  0.1133  0.0199  135 SER   B O   
1546 C CB  . SER   B 126 ? 0.6100 0.6233 0.2235 0.1299  0.1216  0.0369  135 SER   B CB  
1547 O OG  . SER   B 126 ? 0.6098 0.6337 0.2265 0.1314  0.1241  0.0438  135 SER   B OG  
1548 N N   A GLY   B 127 ? 0.6181 0.6115 0.1966 0.1451  0.1044  0.0169  136 GLY   B N   
1549 N N   B GLY   B 127 ? 0.6181 0.6115 0.1966 0.1451  0.1044  0.0169  136 GLY   B N   
1550 N N   C GLY   B 127 ? 0.6164 0.6100 0.1951 0.1448  0.1045  0.0170  136 GLY   B N   
1551 N N   D GLY   B 127 ? 0.6164 0.6099 0.1951 0.1448  0.1045  0.0170  136 GLY   B N   
1552 C CA  A GLY   B 127 ? 0.6181 0.6032 0.1918 0.1420  0.0973  0.0051  136 GLY   B CA  
1553 C CA  B GLY   B 127 ? 0.6182 0.6032 0.1918 0.1420  0.0973  0.0051  136 GLY   B CA  
1554 C CA  C GLY   B 127 ? 0.6156 0.6007 0.1889 0.1420  0.0972  0.0052  136 GLY   B CA  
1555 C CA  D GLY   B 127 ? 0.6156 0.6007 0.1889 0.1420  0.0972  0.0052  136 GLY   B CA  
1556 C C   A GLY   B 127 ? 0.6279 0.6092 0.1909 0.1570  0.0938  0.0022  136 GLY   B C   
1557 C C   B GLY   B 127 ? 0.6280 0.6092 0.1909 0.1570  0.0938  0.0022  136 GLY   B C   
1558 C C   C GLY   B 127 ? 0.6251 0.6062 0.1860 0.1576  0.0929  0.0023  136 GLY   B C   
1559 C C   D GLY   B 127 ? 0.6251 0.6062 0.1860 0.1576  0.0929  0.0023  136 GLY   B C   
1560 O O   A GLY   B 127 ? 0.6276 0.6037 0.1900 0.1539  0.0880  -0.0082 136 GLY   B O   
1561 O O   B GLY   B 127 ? 0.6277 0.6038 0.1900 0.1540  0.0881  -0.0081 136 GLY   B O   
1562 O O   C GLY   B 127 ? 0.6254 0.6006 0.1841 0.1545  0.0863  -0.0084 136 GLY   B O   
1563 O O   D GLY   B 127 ? 0.6254 0.6006 0.1841 0.1545  0.0864  -0.0084 136 GLY   B O   
1564 N N   A SER   B 128 ? 0.6368 0.6215 0.1926 0.1726  0.0974  0.0111  137 SER   B N   
1565 N N   B SER   B 128 ? 0.6368 0.6215 0.1926 0.1727  0.0974  0.0111  137 SER   B N   
1566 N N   C SER   B 128 ? 0.6329 0.6176 0.1863 0.1735  0.0964  0.0112  137 SER   B N   
1567 N N   D SER   B 128 ? 0.6329 0.6176 0.1863 0.1734  0.0964  0.0112  137 SER   B N   
1568 C CA  A SER   B 128 ? 0.6501 0.6315 0.1908 0.1910  0.0931  0.0094  137 SER   B CA  
1569 C CA  B SER   B 128 ? 0.6501 0.6315 0.1908 0.1911  0.0931  0.0094  137 SER   B CA  
1570 C CA  C SER   B 128 ? 0.6451 0.6262 0.1845 0.1914  0.0923  0.0090  137 SER   B CA  
1571 C CA  D SER   B 128 ? 0.6451 0.6262 0.1845 0.1913  0.0923  0.0090  137 SER   B CA  
1572 C C   A SER   B 128 ? 0.6544 0.6297 0.1843 0.1914  0.0830  0.0005  137 SER   B C   
1573 C C   B SER   B 128 ? 0.6544 0.6297 0.1843 0.1915  0.0830  0.0005  137 SER   B C   
1574 C C   C SER   B 128 ? 0.6493 0.6239 0.1776 0.1927  0.0820  -0.0002 137 SER   B C   
1575 C C   D SER   B 128 ? 0.6493 0.6239 0.1776 0.1926  0.0820  -0.0002 137 SER   B C   
1576 O O   A SER   B 128 ? 0.6534 0.6292 0.1809 0.1874  0.0823  0.0026  137 SER   B O   
1577 O O   B SER   B 128 ? 0.6534 0.6292 0.1809 0.1874  0.0823  0.0026  137 SER   B O   
1578 O O   C SER   B 128 ? 0.6499 0.6246 0.1740 0.1901  0.0806  0.0017  137 SER   B O   
1579 O O   D SER   B 128 ? 0.6499 0.6246 0.1740 0.1901  0.0806  0.0017  137 SER   B O   
1580 C CB  A SER   B 128 ? 0.6594 0.6466 0.1936 0.2073  0.1007  0.0227  137 SER   B CB  
1581 C CB  B SER   B 128 ? 0.6594 0.6466 0.1936 0.2073  0.1007  0.0227  137 SER   B CB  
1582 C CB  C SER   B 128 ? 0.6548 0.6414 0.1876 0.2084  0.0998  0.0219  137 SER   B CB  
1583 C CB  D SER   B 128 ? 0.6547 0.6414 0.1876 0.2083  0.0998  0.0219  137 SER   B CB  
1584 O OG  A SER   B 128 ? 0.6578 0.6468 0.2028 0.2041  0.1091  0.0291  137 SER   B OG  
1585 O OG  B SER   B 128 ? 0.6578 0.6468 0.2028 0.2041  0.1091  0.0292  137 SER   B OG  
1586 O OG  C SER   B 128 ? 0.6519 0.6406 0.1968 0.2035  0.1083  0.0281  137 SER   B OG  
1587 O OG  D SER   B 128 ? 0.6519 0.6405 0.1968 0.2035  0.1083  0.0281  137 SER   B OG  
1588 N N   A PRO   B 129 ? 0.6614 0.6302 0.1854 0.1960  0.0746  -0.0103 138 PRO   B N   
1589 N N   B PRO   B 129 ? 0.6615 0.6303 0.1854 0.1960  0.0746  -0.0103 138 PRO   B N   
1590 N N   C PRO   B 129 ? 0.6541 0.6224 0.1784 0.1954  0.0739  -0.0115 138 PRO   B N   
1591 N N   D PRO   B 129 ? 0.6541 0.6223 0.1784 0.1953  0.0739  -0.0115 138 PRO   B N   
1592 C CA  A PRO   B 129 ? 0.6697 0.6304 0.1835 0.1970  0.0645  -0.0191 138 PRO   B CA  
1593 C CA  B PRO   B 129 ? 0.6697 0.6305 0.1835 0.1971  0.0645  -0.0191 138 PRO   B CA  
1594 C CA  C PRO   B 129 ? 0.6623 0.6223 0.1770 0.1962  0.0635  -0.0211 138 PRO   B CA  
1595 C CA  D PRO   B 129 ? 0.6623 0.6223 0.1770 0.1962  0.0635  -0.0211 138 PRO   B CA  
1596 C C   A PRO   B 129 ? 0.6875 0.6456 0.1827 0.2164  0.0595  -0.0170 138 PRO   B C   
1597 C C   B PRO   B 129 ? 0.6876 0.6456 0.1827 0.2165  0.0595  -0.0170 138 PRO   B C   
1598 C C   C PRO   B 129 ? 0.6811 0.6378 0.1769 0.2157  0.0579  -0.0198 138 PRO   B C   
1599 C C   D PRO   B 129 ? 0.6811 0.6378 0.1769 0.2157  0.0579  -0.0198 138 PRO   B C   
1600 O O   A PRO   B 129 ? 0.6944 0.6567 0.1831 0.2321  0.0626  -0.0113 138 PRO   B O   
1601 O O   B PRO   B 129 ? 0.6945 0.6567 0.1831 0.2322  0.0626  -0.0113 138 PRO   B O   
1602 O O   C PRO   B 129 ? 0.6896 0.6476 0.1782 0.2316  0.0571  -0.0193 138 PRO   B O   
1603 O O   D PRO   B 129 ? 0.6895 0.6476 0.1782 0.2316  0.0571  -0.0193 138 PRO   B O   
1604 C CB  A PRO   B 129 ? 0.6707 0.6274 0.1879 0.1958  0.0573  -0.0320 138 PRO   B CB  
1605 C CB  B PRO   B 129 ? 0.6708 0.6274 0.1879 0.1959  0.0573  -0.0320 138 PRO   B CB  
1606 C CB  C PRO   B 129 ? 0.6627 0.6196 0.1815 0.1953  0.0569  -0.0335 138 PRO   B CB  
1607 C CB  D PRO   B 129 ? 0.6627 0.6196 0.1815 0.1953  0.0569  -0.0335 138 PRO   B CB  
1608 C CG  A PRO   B 129 ? 0.6709 0.6330 0.1912 0.2052  0.0618  -0.0291 138 PRO   B CG  
1609 C CG  B PRO   B 129 ? 0.6709 0.6330 0.1912 0.2052  0.0618  -0.0291 138 PRO   B CG  
1610 C CG  C PRO   B 129 ? 0.6633 0.6257 0.1841 0.2059  0.0619  -0.0295 138 PRO   B CG  
1611 C CG  D PRO   B 129 ? 0.6633 0.6257 0.1841 0.2059  0.0619  -0.0295 138 PRO   B CG  
1612 C CD  A PRO   B 129 ? 0.6640 0.6324 0.1904 0.2019  0.0735  -0.0153 138 PRO   B CD  
1613 C CD  B PRO   B 129 ? 0.6640 0.6325 0.1904 0.2020  0.0735  -0.0153 138 PRO   B CD  
1614 C CD  C PRO   B 129 ? 0.6557 0.6241 0.1831 0.2009  0.0735  -0.0159 138 PRO   B CD  
1615 C CD  D PRO   B 129 ? 0.6556 0.6241 0.1831 0.2009  0.0735  -0.0159 138 PRO   B CD  
1616 N N   A ILE   B 130 ? 0.6969 0.6475 0.1831 0.2149  0.0529  -0.0208 139 ILE   B N   
1617 N N   B ILE   B 130 ? 0.6969 0.6475 0.1831 0.2150  0.0529  -0.0208 139 ILE   B N   
1618 N N   C ILE   B 130 ? 0.6888 0.6412 0.1767 0.2144  0.0548  -0.0189 139 ILE   B N   
1619 N N   D ILE   B 130 ? 0.6887 0.6412 0.1767 0.2144  0.0548  -0.0189 139 ILE   B N   
1620 C CA  A ILE   B 130 ? 0.7164 0.6610 0.1831 0.2325  0.0452  -0.0221 139 ILE   B CA  
1621 C CA  B ILE   B 130 ? 0.7164 0.6610 0.1831 0.2325  0.0452  -0.0221 139 ILE   B CA  
1622 C CA  C ILE   B 130 ? 0.7085 0.6541 0.1770 0.2308  0.0464  -0.0212 139 ILE   B CA  
1623 C CA  D ILE   B 130 ? 0.7085 0.6541 0.1770 0.2308  0.0464  -0.0212 139 ILE   B CA  
1624 C C   A ILE   B 130 ? 0.7288 0.6609 0.1914 0.2314  0.0327  -0.0367 139 ILE   B C   
1625 C C   B ILE   B 130 ? 0.7288 0.6609 0.1914 0.2314  0.0327  -0.0367 139 ILE   B C   
1626 C C   C ILE   B 130 ? 0.7201 0.6537 0.1861 0.2283  0.0345  -0.0359 139 ILE   B C   
1627 C C   D ILE   B 130 ? 0.7201 0.6537 0.1861 0.2283  0.0345  -0.0359 139 ILE   B C   
1628 O O   A ILE   B 130 ? 0.7235 0.6492 0.1943 0.2135  0.0304  -0.0428 139 ILE   B O   
1629 O O   B ILE   B 130 ? 0.7235 0.6492 0.1943 0.2135  0.0304  -0.0428 139 ILE   B O   
1630 O O   C ILE   B 130 ? 0.7112 0.6417 0.1898 0.2095  0.0340  -0.0420 139 ILE   B O   
1631 O O   D ILE   B 130 ? 0.7112 0.6417 0.1898 0.2095  0.0341  -0.0420 139 ILE   B O   
1632 C CB  A ILE   B 130 ? 0.7175 0.6617 0.1778 0.2310  0.0464  -0.0160 139 ILE   B CB  
1633 C CB  B ILE   B 130 ? 0.7175 0.6617 0.1777 0.2311  0.0464  -0.0160 139 ILE   B CB  
1634 C CB  C ILE   B 130 ? 0.7090 0.6534 0.1716 0.2280  0.0471  -0.0159 139 ILE   B CB  
1635 C CB  D ILE   B 130 ? 0.7090 0.6534 0.1716 0.2280  0.0471  -0.0159 139 ILE   B CB  
1636 C CG1 A ILE   B 130 ? 0.7084 0.6672 0.1765 0.2308  0.0585  -0.0024 139 ILE   B CG1 
1637 C CG1 B ILE   B 130 ? 0.7084 0.6672 0.1765 0.2309  0.0585  -0.0024 139 ILE   B CG1 
1638 C CG1 C ILE   B 130 ? 0.6972 0.6553 0.1704 0.2229  0.0590  -0.0035 139 ILE   B CG1 
1639 C CG1 D ILE   B 130 ? 0.6972 0.6553 0.1704 0.2229  0.0590  -0.0035 139 ILE   B CG1 
1640 C CG2 A ILE   B 130 ? 0.7359 0.6724 0.1752 0.2490  0.0375  -0.0186 139 ILE   B CG2 
1641 C CG2 B ILE   B 130 ? 0.7359 0.6724 0.1752 0.2490  0.0375  -0.0186 139 ILE   B CG2 
1642 C CG2 C ILE   B 130 ? 0.7265 0.6659 0.1684 0.2477  0.0401  -0.0163 139 ILE   B CG2 
1643 C CG2 D ILE   B 130 ? 0.7265 0.6659 0.1684 0.2477  0.0401  -0.0163 139 ILE   B CG2 
1644 C CD1 A ILE   B 130 ? 0.7040 0.6648 0.1733 0.2223  0.0603  0.0017  139 ILE   B CD1 
1645 C CD1 B ILE   B 130 ? 0.7040 0.6648 0.1733 0.2224  0.0603  0.0017  139 ILE   B CD1 
1646 C CD1 C ILE   B 130 ? 0.6893 0.6463 0.1685 0.2068  0.0603  -0.0027 139 ILE   B CD1 
1647 C CD1 D ILE   B 130 ? 0.6893 0.6463 0.1685 0.2068  0.0603  -0.0027 139 ILE   B CD1 
1648 N N   A LEU   B 131 ? 0.7469 0.6760 0.1981 0.2496  0.0252  -0.0423 140 LEU   B N   
1649 N N   B LEU   B 131 ? 0.7469 0.6760 0.1981 0.2496  0.0251  -0.0423 140 LEU   B N   
1650 N N   C LEU   B 131 ? 0.7413 0.6697 0.1932 0.2464  0.0255  -0.0418 140 LEU   B N   
1651 N N   D LEU   B 131 ? 0.7413 0.6697 0.1932 0.2464  0.0255  -0.0417 140 LEU   B N   
1652 C CA  A LEU   B 131 ? 0.7607 0.6790 0.2098 0.2497  0.0120  -0.0575 140 LEU   B CA  
1653 C CA  B LEU   B 131 ? 0.7608 0.6790 0.2098 0.2497  0.0120  -0.0575 140 LEU   B CA  
1654 C CA  C LEU   B 131 ? 0.7553 0.6728 0.2059 0.2455  0.0128  -0.0569 140 LEU   B CA  
1655 C CA  D LEU   B 131 ? 0.7553 0.6728 0.2059 0.2455  0.0128  -0.0569 140 LEU   B CA  
1656 C C   A LEU   B 131 ? 0.7820 0.6878 0.2120 0.2622  0.0011  -0.0621 140 LEU   B C   
1657 C C   B LEU   B 131 ? 0.7820 0.6878 0.2120 0.2621  0.0011  -0.0621 140 LEU   B C   
1658 C C   C LEU   B 131 ? 0.7795 0.6854 0.2099 0.2617  0.0013  -0.0619 140 LEU   B C   
1659 C C   D LEU   B 131 ? 0.7795 0.6854 0.2099 0.2617  0.0013  -0.0619 140 LEU   B C   
1660 O O   A LEU   B 131 ? 0.7902 0.6985 0.2052 0.2789  0.0030  -0.0540 140 LEU   B O   
1661 O O   B LEU   B 131 ? 0.7902 0.6985 0.2051 0.2789  0.0030  -0.0540 140 LEU   B O   
1662 O O   C LEU   B 131 ? 0.7879 0.6974 0.2035 0.2803  0.0031  -0.0544 140 LEU   B O   
1663 O O   D LEU   B 131 ? 0.7879 0.6974 0.2035 0.2802  0.0031  -0.0544 140 LEU   B O   
1664 C CB  A LEU   B 131 ? 0.7684 0.6908 0.2162 0.2643  0.0082  -0.0633 140 LEU   B CB  
1665 C CB  B LEU   B 131 ? 0.7684 0.6908 0.2162 0.2643  0.0082  -0.0633 140 LEU   B CB  
1666 C CB  C LEU   B 131 ? 0.7583 0.6811 0.2128 0.2548  0.0104  -0.0629 140 LEU   B CB  
1667 C CB  D LEU   B 131 ? 0.7583 0.6811 0.2128 0.2548  0.0104  -0.0629 140 LEU   B CB  
1668 C CG  A LEU   B 131 ? 0.7564 0.6899 0.2181 0.2597  0.0174  -0.0592 140 LEU   B CG  
1669 C CG  B LEU   B 131 ? 0.7564 0.6899 0.2180 0.2597  0.0174  -0.0592 140 LEU   B CG  
1670 C CG  C LEU   B 131 ? 0.7471 0.6824 0.2110 0.2545  0.0223  -0.0538 140 LEU   B CG  
1671 C CG  D LEU   B 131 ? 0.7471 0.6824 0.2110 0.2545  0.0222  -0.0538 140 LEU   B CG  
1672 C CD1 A LEU   B 131 ? 0.7662 0.7012 0.2255 0.2739  0.0105  -0.0683 140 LEU   B CD1 
1673 C CD1 B LEU   B 131 ? 0.7662 0.7012 0.2255 0.2739  0.0105  -0.0683 140 LEU   B CD1 
1674 C CD1 C LEU   B 131 ? 0.7580 0.6965 0.2146 0.2745  0.0192  -0.0567 140 LEU   B CD1 
1675 C CD1 D LEU   B 131 ? 0.7580 0.6965 0.2146 0.2745  0.0192  -0.0567 140 LEU   B CD1 
1676 C CD2 A LEU   B 131 ? 0.7403 0.6754 0.2217 0.2343  0.0218  -0.0616 140 LEU   B CD2 
1677 C CD2 B LEU   B 131 ? 0.7403 0.6754 0.2217 0.2343  0.0218  -0.0616 140 LEU   B CD2 
1678 C CD2 C LEU   B 131 ? 0.7312 0.6697 0.2156 0.2318  0.0268  -0.0568 140 LEU   B CD2 
1679 C CD2 D LEU   B 131 ? 0.7313 0.6697 0.2156 0.2318  0.0268  -0.0568 140 LEU   B CD2 
1680 N N   . ASP   B 132 ? 0.7921 0.6853 0.2240 0.2552  -0.0106 -0.0760 141 ASP   B N   
1681 C CA  . ASP   B 132 ? 0.8236 0.7029 0.2381 0.2695  -0.0243 -0.0844 141 ASP   B CA  
1682 C C   . ASP   B 132 ? 0.8466 0.7280 0.2572 0.2870  -0.0332 -0.0942 141 ASP   B C   
1683 O O   . ASP   B 132 ? 0.8343 0.7278 0.2567 0.2857  -0.0275 -0.0935 141 ASP   B O   
1684 C CB  . ASP   B 132 ? 0.8342 0.6964 0.2508 0.2531  -0.0320 -0.0926 141 ASP   B CB  
1685 C CG  . ASP   B 132 ? 0.8307 0.6903 0.2673 0.2332  -0.0352 -0.1038 141 ASP   B CG  
1686 O OD1 . ASP   B 132 ? 0.8230 0.6948 0.2729 0.2328  -0.0335 -0.1079 141 ASP   B OD1 
1687 O OD2 . ASP   B 132 ? 0.8409 0.6863 0.2795 0.2176  -0.0386 -0.1075 141 ASP   B OD2 
1688 N N   . LYS   B 133 ? 0.8863 0.7549 0.2820 0.3007  -0.0474 -0.1040 142 LYS   B N   
1689 C CA  . LYS   B 133 ? 0.9200 0.7891 0.3062 0.3230  -0.0580 -0.1137 142 LYS   B CA  
1690 C C   . LYS   B 133 ? 0.9217 0.7930 0.3276 0.3113  -0.0642 -0.1274 142 LYS   B C   
1691 O O   . LYS   B 133 ? 0.9282 0.8045 0.3312 0.3270  -0.0704 -0.1346 142 LYS   B O   
1692 C CB  . LYS   B 133 ? 0.9570 0.8111 0.3210 0.3408  -0.0716 -0.1201 142 LYS   B CB  
1693 C CG  . LYS   B 133 ? 0.9745 0.8317 0.3174 0.3590  -0.0652 -0.1066 142 LYS   B CG  
1694 C CD  . LYS   B 133 ? 1.0086 0.8535 0.3260 0.3832  -0.0786 -0.1130 142 LYS   B CD  
1695 C CE  . LYS   B 133 ? 1.0226 0.8751 0.3210 0.4017  -0.0699 -0.0984 142 LYS   B CE  
1696 N NZ  . LYS   B 133 ? 1.0485 0.8857 0.3265 0.4126  -0.0799 -0.1016 142 LYS   B NZ  
1697 N N   . CYS   B 134 ? 0.9161 0.7854 0.3417 0.2848  -0.0612 -0.1301 143 CYS   B N   
1698 C CA  . CYS   B 134 ? 0.9158 0.7897 0.3636 0.2708  -0.0655 -0.1428 143 CYS   B CA  
1699 C C   . CYS   B 134 ? 0.8780 0.7684 0.3442 0.2568  -0.0510 -0.1353 143 CYS   B C   
1700 O O   . CYS   B 134 ? 0.8683 0.7648 0.3543 0.2437  -0.0525 -0.1447 143 CYS   B O   
1701 C CB  . CYS   B 134 ? 0.9355 0.7961 0.3943 0.2482  -0.0704 -0.1501 143 CYS   B CB  
1702 S SG  . CYS   B 134 ? 0.9913 0.8304 0.4350 0.2603  -0.0906 -0.1641 143 CYS   B SG  
1703 N N   . GLY   B 135 ? 0.8590 0.7562 0.3156 0.2647  -0.0386 -0.1192 144 GLY   B N   
1704 C CA  . GLY   B 135 ? 0.8359 0.7470 0.3057 0.2564  -0.0255 -0.1110 144 GLY   B CA  
1705 C C   . GLY   B 135 ? 0.8125 0.7240 0.2987 0.2296  -0.0173 -0.1077 144 GLY   B C   
1706 O O   . GLY   B 135 ? 0.7987 0.7208 0.2980 0.2210  -0.0083 -0.1041 144 GLY   B O   
1707 N N   . ARG   B 136 ? 0.8134 0.7128 0.2970 0.2182  -0.0202 -0.1087 145 ARG   B N   
1708 C CA  . ARG   B 136 ? 0.7951 0.6932 0.2907 0.1939  -0.0120 -0.1044 145 ARG   B CA  
1709 C C   . ARG   B 136 ? 0.7737 0.6768 0.2637 0.1943  -0.0001 -0.0889 145 ARG   B C   
1710 O O   . ARG   B 136 ? 0.7764 0.6766 0.2491 0.2104  -0.0009 -0.0820 145 ARG   B O   
1711 C CB  . ARG   B 136 ? 0.8157 0.6972 0.3089 0.1830  -0.0197 -0.1111 145 ARG   B CB  
1712 C CG  . ARG   B 136 ? 0.8299 0.7101 0.3381 0.1743  -0.0283 -0.1262 145 ARG   B CG  
1713 C CD  . ARG   B 136 ? 0.8545 0.7161 0.3603 0.1642  -0.0365 -0.1329 145 ARG   B CD  
1714 N NE  . ARG   B 136 ? 0.8818 0.7293 0.3650 0.1816  -0.0451 -0.1320 145 ARG   B NE  
1715 C CZ  . ARG   B 136 ? 0.9006 0.7294 0.3711 0.1776  -0.0482 -0.1297 145 ARG   B CZ  
1716 N NH1 . ARG   B 136 ? 0.9068 0.7273 0.3840 0.1562  -0.0428 -0.1270 145 ARG   B NH1 
1717 N NH2 . ARG   B 136 ? 0.9236 0.7417 0.3730 0.1966  -0.0566 -0.1296 145 ARG   B NH2 
1718 N N   . VAL   B 137 ? 0.7474 0.6590 0.2522 0.1780  0.0102  -0.0841 146 VAL   B N   
1719 C CA  . VAL   B 137 ? 0.7299 0.6468 0.2332 0.1748  0.0212  -0.0705 146 VAL   B CA  
1720 C C   . VAL   B 137 ? 0.7302 0.6353 0.2250 0.1668  0.0199  -0.0679 146 VAL   B C   
1721 O O   . VAL   B 137 ? 0.7294 0.6281 0.2314 0.1492  0.0198  -0.0725 146 VAL   B O   
1722 C CB  . VAL   B 137 ? 0.7115 0.6394 0.2317 0.1617  0.0310  -0.0675 146 VAL   B CB  
1723 C CG1 . VAL   B 137 ? 0.7026 0.6359 0.2218 0.1602  0.0407  -0.0545 146 VAL   B CG1 
1724 C CG2 . VAL   B 137 ? 0.7099 0.6473 0.2375 0.1700  0.0313  -0.0712 146 VAL   B CG2 
1725 N N   . ILE   B 138 ? 0.7308 0.6330 0.2099 0.1800  0.0191  -0.0610 147 ILE   B N   
1726 C CA  . ILE   B 138 ? 0.7325 0.6241 0.2009 0.1754  0.0182  -0.0571 147 ILE   B CA  
1727 C C   . ILE   B 138 ? 0.7154 0.6160 0.1887 0.1679  0.0287  -0.0464 147 ILE   B C   
1728 O O   . ILE   B 138 ? 0.7217 0.6154 0.1855 0.1657  0.0283  -0.0425 147 ILE   B O   
1729 C CB  . ILE   B 138 ? 0.7506 0.6347 0.1985 0.1956  0.0105  -0.0564 147 ILE   B CB  
1730 C CG1 . ILE   B 138 ? 0.7479 0.6461 0.1907 0.2141  0.0157  -0.0474 147 ILE   B CG1 
1731 C CG2 . ILE   B 138 ? 0.7659 0.6373 0.2086 0.2006  -0.0018 -0.0688 147 ILE   B CG2 
1732 C CD1 . ILE   B 138 ? 0.7626 0.6571 0.1863 0.2301  0.0126  -0.0424 147 ILE   B CD1 
1733 N N   A GLY   B 139 ? 0.6993 0.6143 0.1864 0.1648  0.0371  -0.0421 148 GLY   B N   
1734 N N   B GLY   B 139 ? 0.6993 0.6143 0.1864 0.1648  0.0371  -0.0421 148 GLY   B N   
1735 N N   C GLY   B 139 ? 0.6991 0.6139 0.1863 0.1643  0.0371  -0.0422 148 GLY   B N   
1736 N N   D GLY   B 139 ? 0.6991 0.6139 0.1863 0.1643  0.0371  -0.0422 148 GLY   B N   
1737 C CA  A GLY   B 139 ? 0.6843 0.6090 0.1808 0.1551  0.0469  -0.0336 148 GLY   B CA  
1738 C CA  B GLY   B 139 ? 0.6843 0.6090 0.1808 0.1551  0.0469  -0.0336 148 GLY   B CA  
1739 C CA  C GLY   B 139 ? 0.6850 0.6089 0.1800 0.1555  0.0465  -0.0333 148 GLY   B CA  
1740 C CA  D GLY   B 139 ? 0.6850 0.6089 0.1800 0.1555  0.0465  -0.0333 148 GLY   B CA  
1741 C C   A GLY   B 139 ? 0.6737 0.6136 0.1787 0.1627  0.0548  -0.0258 148 GLY   B C   
1742 C C   B GLY   B 139 ? 0.6737 0.6136 0.1787 0.1627  0.0548  -0.0258 148 GLY   B C   
1743 C C   C GLY   B 139 ? 0.6756 0.6147 0.1771 0.1653  0.0541  -0.0247 148 GLY   B C   
1744 C C   D GLY   B 139 ? 0.6756 0.6148 0.1771 0.1653  0.0541  -0.0247 148 GLY   B C   
1745 O O   A GLY   B 139 ? 0.6767 0.6190 0.1801 0.1746  0.0532  -0.0274 148 GLY   B O   
1746 O O   B GLY   B 139 ? 0.6767 0.6191 0.1801 0.1746  0.0532  -0.0274 148 GLY   B O   
1747 O O   C GLY   B 139 ? 0.6785 0.6201 0.1786 0.1769  0.0526  -0.0264 148 GLY   B O   
1748 O O   D GLY   B 139 ? 0.6785 0.6201 0.1786 0.1769  0.0526  -0.0264 148 GLY   B O   
1749 N N   A LEU   B 140 ? 0.6615 0.6101 0.1760 0.1547  0.0629  -0.0183 149 LEU   B N   
1750 N N   B LEU   B 140 ? 0.6615 0.6101 0.1760 0.1547  0.0629  -0.0183 149 LEU   B N   
1751 N N   C LEU   B 140 ? 0.6627 0.6107 0.1743 0.1566  0.0623  -0.0175 149 LEU   B N   
1752 N N   D LEU   B 140 ? 0.6627 0.6107 0.1743 0.1566  0.0623  -0.0175 149 LEU   B N   
1753 C CA  A LEU   B 140 ? 0.6526 0.6139 0.1778 0.1576  0.0714  -0.0103 149 LEU   B CA  
1754 C CA  B LEU   B 140 ? 0.6526 0.6139 0.1778 0.1577  0.0714  -0.0103 149 LEU   B CA  
1755 C CA  C LEU   B 140 ? 0.6536 0.6144 0.1762 0.1597  0.0707  -0.0097 149 LEU   B CA  
1756 C CA  D LEU   B 140 ? 0.6536 0.6144 0.1762 0.1596  0.0707  -0.0097 149 LEU   B CA  
1757 C C   A LEU   B 140 ? 0.6537 0.6238 0.1769 0.1645  0.0763  0.0003  149 LEU   B C   
1758 C C   B LEU   B 140 ? 0.6538 0.6238 0.1770 0.1646  0.0763  0.0003  149 LEU   B C   
1759 C C   C LEU   B 140 ? 0.6549 0.6248 0.1756 0.1669  0.0757  0.0009  149 LEU   B C   
1760 C C   D LEU   B 140 ? 0.6549 0.6248 0.1756 0.1669  0.0757  0.0009  149 LEU   B C   
1761 O O   A LEU   B 140 ? 0.6540 0.6233 0.1741 0.1600  0.0751  0.0016  149 LEU   B O   
1762 O O   B LEU   B 140 ? 0.6541 0.6234 0.1741 0.1600  0.0751  0.0017  149 LEU   B O   
1763 O O   C LEU   B 140 ? 0.6548 0.6246 0.1732 0.1618  0.0750  0.0025  149 LEU   B O   
1764 O O   D LEU   B 140 ? 0.6548 0.6246 0.1732 0.1618  0.0750  0.0025  149 LEU   B O   
1765 C CB  A LEU   B 140 ? 0.6387 0.6039 0.1804 0.1411  0.0768  -0.0112 149 LEU   B CB  
1766 C CB  B LEU   B 140 ? 0.6387 0.6039 0.1804 0.1411  0.0768  -0.0112 149 LEU   B CB  
1767 C CB  C LEU   B 140 ? 0.6392 0.6042 0.1785 0.1430  0.0763  -0.0103 149 LEU   B CB  
1768 C CB  D LEU   B 140 ? 0.6392 0.6042 0.1785 0.1430  0.0763  -0.0103 149 LEU   B CB  
1769 C CG  A LEU   B 140 ? 0.6360 0.5949 0.1820 0.1314  0.0730  -0.0219 149 LEU   B CG  
1770 C CG  B LEU   B 140 ? 0.6360 0.5949 0.1820 0.1314  0.0730  -0.0219 149 LEU   B CG  
1771 C CG  C LEU   B 140 ? 0.6360 0.5945 0.1799 0.1324  0.0728  -0.0208 149 LEU   B CG  
1772 C CG  D LEU   B 140 ? 0.6359 0.5945 0.1799 0.1324  0.0728  -0.0209 149 LEU   B CG  
1773 C CD1 A LEU   B 140 ? 0.6245 0.5884 0.1856 0.1173  0.0788  -0.0223 149 LEU   B CD1 
1774 C CD1 B LEU   B 140 ? 0.6245 0.5884 0.1856 0.1174  0.0788  -0.0223 149 LEU   B CD1 
1775 C CD1 C LEU   B 140 ? 0.6242 0.5883 0.1836 0.1192  0.0788  -0.0208 149 LEU   B CD1 
1776 C CD1 D LEU   B 140 ? 0.6242 0.5883 0.1836 0.1191  0.0788  -0.0208 149 LEU   B CD1 
1777 C CD2 A LEU   B 140 ? 0.6416 0.5993 0.1853 0.1418  0.0691  -0.0273 149 LEU   B CD2 
1778 C CD2 B LEU   B 140 ? 0.6417 0.5993 0.1853 0.1419  0.0691  -0.0273 149 LEU   B CD2 
1779 C CD2 C LEU   B 140 ? 0.6420 0.5984 0.1830 0.1423  0.0683  -0.0268 149 LEU   B CD2 
1780 C CD2 D LEU   B 140 ? 0.6420 0.5984 0.1830 0.1423  0.0683  -0.0268 149 LEU   B CD2 
1781 N N   A TYR   B 141 ? 0.6542 0.6336 0.1817 0.1746  0.0829  0.0082  150 TYR   B N   
1782 N N   B TYR   B 141 ? 0.6543 0.6336 0.1817 0.1747  0.0829  0.0082  150 TYR   B N   
1783 N N   C TYR   B 141 ? 0.6542 0.6336 0.1807 0.1756  0.0827  0.0085  150 TYR   B N   
1784 N N   D TYR   B 141 ? 0.6542 0.6336 0.1807 0.1756  0.0827  0.0085  150 TYR   B N   
1785 C CA  A TYR   B 141 ? 0.6564 0.6476 0.1853 0.1830  0.0899  0.0200  150 TYR   B CA  
1786 C CA  B TYR   B 141 ? 0.6564 0.6476 0.1853 0.1831  0.0899  0.0200  150 TYR   B CA  
1787 C CA  C TYR   B 141 ? 0.6559 0.6475 0.1847 0.1836  0.0902  0.0204  150 TYR   B CA  
1788 C CA  D TYR   B 141 ? 0.6559 0.6475 0.1847 0.1836  0.0902  0.0204  150 TYR   B CA  
1789 C C   A TYR   B 141 ? 0.6454 0.6456 0.1939 0.1691  0.0980  0.0255  150 TYR   B C   
1790 C C   B TYR   B 141 ? 0.6454 0.6456 0.1940 0.1691  0.0980  0.0255  150 TYR   B C   
1791 C C   C TYR   B 141 ? 0.6448 0.6446 0.1932 0.1686  0.0977  0.0251  150 TYR   B C   
1792 C C   D TYR   B 141 ? 0.6448 0.6446 0.1932 0.1686  0.0977  0.0251  150 TYR   B C   
1793 O O   A TYR   B 141 ? 0.6397 0.6377 0.1986 0.1602  0.1002  0.0229  150 TYR   B O   
1794 O O   B TYR   B 141 ? 0.6397 0.6377 0.1986 0.1602  0.1003  0.0229  150 TYR   B O   
1795 O O   C TYR   B 141 ? 0.6389 0.6360 0.1974 0.1589  0.0993  0.0217  150 TYR   B O   
1796 O O   D TYR   B 141 ? 0.6389 0.6360 0.1974 0.1589  0.0993  0.0217  150 TYR   B O   
1797 C CB  A TYR   B 141 ? 0.6664 0.6603 0.1870 0.2017  0.0924  0.0252  150 TYR   B CB  
1798 C CB  B TYR   B 141 ? 0.6664 0.6603 0.1870 0.2017  0.0924  0.0252  150 TYR   B CB  
1799 C CB  C TYR   B 141 ? 0.6646 0.6592 0.1868 0.2011  0.0934  0.0259  150 TYR   B CB  
1800 C CB  D TYR   B 141 ? 0.6645 0.6592 0.1868 0.2011  0.0934  0.0259  150 TYR   B CB  
1801 C CG  A TYR   B 141 ? 0.6679 0.6754 0.1937 0.2087  0.1026  0.0387  150 TYR   B CG  
1802 C CG  B TYR   B 141 ? 0.6679 0.6754 0.1937 0.2088  0.1026  0.0387  150 TYR   B CG  
1803 C CG  C TYR   B 141 ? 0.6655 0.6737 0.1938 0.2075  0.1038  0.0395  150 TYR   B CG  
1804 C CG  D TYR   B 141 ? 0.6655 0.6737 0.1938 0.2075  0.1038  0.0395  150 TYR   B CG  
1805 C CD1 A TYR   B 141 ? 0.6627 0.6760 0.2041 0.2027  0.1120  0.0458  150 TYR   B CD1 
1806 C CD1 B TYR   B 141 ? 0.6627 0.6760 0.2041 0.2027  0.1120  0.0458  150 TYR   B CD1 
1807 C CD1 C TYR   B 141 ? 0.6604 0.6737 0.2041 0.2012  0.1131  0.0463  150 TYR   B CD1 
1808 C CD1 D TYR   B 141 ? 0.6603 0.6737 0.2041 0.2012  0.1131  0.0463  150 TYR   B CD1 
1809 C CD2 A TYR   B 141 ? 0.6760 0.6907 0.1917 0.2215  0.1028  0.0445  150 TYR   B CD2 
1810 C CD2 B TYR   B 141 ? 0.6759 0.6907 0.1917 0.2215  0.1029  0.0445  150 TYR   B CD2 
1811 C CD2 C TYR   B 141 ? 0.6731 0.6892 0.1920 0.2201  0.1047  0.0458  150 TYR   B CD2 
1812 C CD2 D TYR   B 141 ? 0.6731 0.6892 0.1920 0.2201  0.1046  0.0458  150 TYR   B CD2 
1813 C CE1 A TYR   B 141 ? 0.6657 0.6916 0.2136 0.2082  0.1222  0.0590  150 TYR   B CE1 
1814 C CE1 B TYR   B 141 ? 0.6657 0.6916 0.2136 0.2082  0.1222  0.0590  150 TYR   B CE1 
1815 C CE1 C TYR   B 141 ? 0.6632 0.6888 0.2140 0.2063  0.1235  0.0595  150 TYR   B CE1 
1816 C CE1 D TYR   B 141 ? 0.6632 0.6888 0.2140 0.2063  0.1235  0.0595  150 TYR   B CE1 
1817 C CE2 A TYR   B 141 ? 0.6776 0.7073 0.1999 0.2277  0.1130  0.0573  150 TYR   B CE2 
1818 C CE2 B TYR   B 141 ? 0.6776 0.7072 0.1999 0.2277  0.1130  0.0573  150 TYR   B CE2 
1819 C CE2 C TYR   B 141 ? 0.6744 0.7052 0.2006 0.2257  0.1151  0.0587  150 TYR   B CE2 
1820 C CE2 D TYR   B 141 ? 0.6744 0.7052 0.2006 0.2257  0.1151  0.0587  150 TYR   B CE2 
1821 C CZ  A TYR   B 141 ? 0.6730 0.7084 0.2118 0.2210  0.1233  0.0652  150 TYR   B CZ  
1822 C CZ  B TYR   B 141 ? 0.6729 0.7083 0.2118 0.2210  0.1233  0.0652  150 TYR   B CZ  
1823 C CZ  C TYR   B 141 ? 0.6701 0.7057 0.2126 0.2189  0.1251  0.0662  150 TYR   B CZ  
1824 C CZ  D TYR   B 141 ? 0.6701 0.7057 0.2126 0.2189  0.1251  0.0662  150 TYR   B CZ  
1825 O OH  A TYR   B 141 ? 0.6770 0.7272 0.2237 0.2263  0.1342  0.0785  150 TYR   B OH  
1826 O OH  B TYR   B 141 ? 0.6769 0.7272 0.2237 0.2262  0.1342  0.0785  150 TYR   B OH  
1827 O OH  C TYR   B 141 ? 0.6733 0.7234 0.2245 0.2233  0.1362  0.0796  150 TYR   B OH  
1828 O OH  D TYR   B 141 ? 0.6733 0.7234 0.2245 0.2234  0.1362  0.0796  150 TYR   B OH  
1829 N N   . GLY   B 142 ? 0.6442 0.6540 0.1974 0.1677  0.1013  0.0319  151 GLY   B N   
1830 C CA  . GLY   B 142 ? 0.6393 0.6595 0.2126 0.1565  0.1089  0.0379  151 GLY   B CA  
1831 C C   . GLY   B 142 ? 0.6401 0.6654 0.2202 0.1458  0.1071  0.0364  151 GLY   B C   
1832 O O   . GLY   B 142 ? 0.6345 0.6686 0.2323 0.1368  0.1126  0.0404  151 GLY   B O   
1833 N N   . ASN   B 143 ? 0.6518 0.6711 0.2181 0.1474  0.0997  0.0310  152 ASN   B N   
1834 C CA  . ASN   B 143 ? 0.6572 0.6820 0.2274 0.1404  0.0977  0.0303  152 ASN   B CA  
1835 C C   . ASN   B 143 ? 0.6744 0.7022 0.2301 0.1531  0.0938  0.0322  152 ASN   B C   
1836 O O   . ASN   B 143 ? 0.6843 0.6985 0.2193 0.1608  0.0864  0.0272  152 ASN   B O   
1837 C CB  . ASN   B 143 ? 0.6545 0.6666 0.2198 0.1281  0.0916  0.0208  152 ASN   B CB  
1838 C CG  . ASN   B 143 ? 0.6516 0.6703 0.2229 0.1208  0.0905  0.0203  152 ASN   B CG  
1839 O OD1 . ASN   B 143 ? 0.6454 0.6797 0.2324 0.1198  0.0951  0.0259  152 ASN   B OD1 
1840 N ND2 . ASN   B 143 ? 0.6532 0.6598 0.2125 0.1154  0.0844  0.0135  152 ASN   B ND2 
1841 N N   . GLY   B 144 ? 0.6890 0.7350 0.2549 0.1582  0.0991  0.0404  153 GLY   B N   
1842 C CA  . GLY   B 144 ? 0.7203 0.7735 0.2734 0.1751  0.0976  0.0445  153 GLY   B CA  
1843 C C   . GLY   B 144 ? 0.7339 0.8086 0.3024 0.1750  0.1023  0.0508  153 GLY   B C   
1844 O O   . GLY   B 144 ? 0.7210 0.7995 0.3032 0.1614  0.1015  0.0477  153 GLY   B O   
1845 N N   A VAL   B 145 ? 0.7448 0.8343 0.3122 0.1896  0.1069  0.0588  154 VAL   B N   
1846 N N   B VAL   B 145 ? 0.7448 0.8344 0.3122 0.1896  0.1069  0.0588  154 VAL   B N   
1847 N N   C VAL   B 145 ? 0.7447 0.8342 0.3121 0.1896  0.1069  0.0588  154 VAL   B N   
1848 N N   D VAL   B 145 ? 0.7445 0.8339 0.3120 0.1895  0.1071  0.0589  154 VAL   B N   
1849 C CA  A VAL   B 145 ? 0.7513 0.8642 0.3326 0.1917  0.1105  0.0642  154 VAL   B CA  
1850 C CA  B VAL   B 145 ? 0.7513 0.8642 0.3326 0.1918  0.1105  0.0642  154 VAL   B CA  
1851 C CA  C VAL   B 145 ? 0.7511 0.8640 0.3325 0.1917  0.1105  0.0641  154 VAL   B CA  
1852 C CA  D VAL   B 145 ? 0.7515 0.8641 0.3320 0.1926  0.1107  0.0644  154 VAL   B CA  
1853 C C   A VAL   B 145 ? 0.7647 0.8960 0.3545 0.2029  0.1214  0.0761  154 VAL   B C   
1854 C C   B VAL   B 145 ? 0.7646 0.8960 0.3545 0.2029  0.1214  0.0761  154 VAL   B C   
1855 C C   C VAL   B 145 ? 0.7647 0.8960 0.3545 0.2029  0.1214  0.0761  154 VAL   B C   
1856 C C   D VAL   B 145 ? 0.7631 0.8937 0.3550 0.2012  0.1224  0.0765  154 VAL   B C   
1857 O O   A VAL   B 145 ? 0.7728 0.8972 0.3459 0.2169  0.1225  0.0789  154 VAL   B O   
1858 O O   B VAL   B 145 ? 0.7728 0.8973 0.3460 0.2169  0.1225  0.0789  154 VAL   B O   
1859 O O   C VAL   B 145 ? 0.7728 0.8972 0.3459 0.2169  0.1224  0.0789  154 VAL   B O   
1860 O O   D VAL   B 145 ? 0.7672 0.8897 0.3475 0.2108  0.1251  0.0797  154 VAL   B O   
1861 C CB  A VAL   B 145 ? 0.7597 0.8704 0.3230 0.2008  0.1012  0.0587  154 VAL   B CB  
1862 C CB  B VAL   B 145 ? 0.7597 0.8704 0.3230 0.2008  0.1012  0.0587  154 VAL   B CB  
1863 C CB  C VAL   B 145 ? 0.7596 0.8703 0.3229 0.2008  0.1012  0.0587  154 VAL   B CB  
1864 C CB  D VAL   B 145 ? 0.7619 0.8725 0.3219 0.2050  0.1019  0.0601  154 VAL   B CB  
1865 C CG1 A VAL   B 145 ? 0.7724 0.8802 0.3129 0.2218  0.0990  0.0609  154 VAL   B CG1 
1866 C CG1 B VAL   B 145 ? 0.7725 0.8803 0.3129 0.2218  0.0990  0.0609  154 VAL   B CG1 
1867 C CG1 C VAL   B 145 ? 0.7723 0.8800 0.3127 0.2218  0.0990  0.0609  154 VAL   B CG1 
1868 C CG1 D VAL   B 145 ? 0.7667 0.9024 0.3328 0.2176  0.1064  0.0674  154 VAL   B CG1 
1869 C CG2 A VAL   B 145 ? 0.7554 0.8879 0.3352 0.1980  0.1020  0.0601  154 VAL   B CG2 
1870 C CG2 B VAL   B 145 ? 0.7554 0.8879 0.3352 0.1980  0.1020  0.0601  154 VAL   B CG2 
1871 C CG2 C VAL   B 145 ? 0.7551 0.8876 0.3350 0.1980  0.1020  0.0601  154 VAL   B CG2 
1872 C CG2 D VAL   B 145 ? 0.7580 0.8581 0.3145 0.1939  0.0931  0.0508  154 VAL   B CG2 
1873 N N   . VAL   B 146 ? 0.7667 0.9207 0.3819 0.1969  0.1291  0.0828  155 VAL   B N   
1874 C CA  . VAL   B 146 ? 0.8002 0.9759 0.4271 0.2063  0.1413  0.0957  155 VAL   B CA  
1875 C C   . VAL   B 146 ? 0.8397 1.0300 0.4561 0.2223  0.1382  0.0962  155 VAL   B C   
1876 O O   . VAL   B 146 ? 0.8425 1.0388 0.4626 0.2181  0.1314  0.0900  155 VAL   B O   
1877 C CB  . VAL   B 146 ? 0.7955 0.9882 0.4567 0.1905  0.1504  0.1018  155 VAL   B CB  
1878 C CG1 . VAL   B 146 ? 0.8094 1.0245 0.4844 0.1985  0.1643  0.1161  155 VAL   B CG1 
1879 C CG2 . VAL   B 146 ? 0.7928 0.9683 0.4622 0.1749  0.1514  0.0993  155 VAL   B CG2 
1880 N N   A ILE   B 147 ? 0.8627 1.0589 0.4651 0.2414  0.1429  0.1033  156 ILE   B N   
1881 N N   B ILE   B 147 ? 0.8626 1.0588 0.4650 0.2414  0.1429  0.1033  156 ILE   B N   
1882 N N   C ILE   B 147 ? 0.8648 1.0607 0.4672 0.2413  0.1429  0.1033  156 ILE   B N   
1883 N N   D ILE   B 147 ? 0.8649 1.0607 0.4673 0.2413  0.1429  0.1033  156 ILE   B N   
1884 C CA  A ILE   B 147 ? 0.8825 1.0880 0.4675 0.2606  0.1381  0.1023  156 ILE   B CA  
1885 C CA  B ILE   B 147 ? 0.8824 1.0879 0.4674 0.2606  0.1381  0.1023  156 ILE   B CA  
1886 C CA  C ILE   B 147 ? 0.8856 1.0924 0.4720 0.2605  0.1390  0.1031  156 ILE   B CA  
1887 C CA  D ILE   B 147 ? 0.8856 1.0924 0.4720 0.2605  0.1390  0.1031  156 ILE   B CA  
1888 C C   A ILE   B 147 ? 0.8927 1.1317 0.4969 0.2676  0.1499  0.1137  156 ILE   B C   
1889 C C   B ILE   B 147 ? 0.8926 1.1316 0.4968 0.2675  0.1499  0.1137  156 ILE   B C   
1890 C C   C ILE   B 147 ? 0.8956 1.1360 0.5036 0.2656  0.1514  0.1148  156 ILE   B C   
1891 C C   D ILE   B 147 ? 0.8956 1.1361 0.5036 0.2656  0.1514  0.1148  156 ILE   B C   
1892 O O   A ILE   B 147 ? 0.8894 1.1414 0.5193 0.2570  0.1618  0.1227  156 ILE   B O   
1893 O O   B ILE   B 147 ? 0.8893 1.1413 0.5192 0.2570  0.1618  0.1227  156 ILE   B O   
1894 O O   C ILE   B 147 ? 0.8946 1.1450 0.5253 0.2562  0.1635  0.1241  156 ILE   B O   
1895 O O   D ILE   B 147 ? 0.8946 1.1451 0.5253 0.2562  0.1635  0.1241  156 ILE   B O   
1896 C CB  A ILE   B 147 ? 0.8992 1.0854 0.4511 0.2791  0.1325  0.0998  156 ILE   B CB  
1897 C CB  B ILE   B 147 ? 0.8992 1.0853 0.4510 0.2790  0.1325  0.0998  156 ILE   B CB  
1898 C CB  C ILE   B 147 ? 0.9037 1.0928 0.4570 0.2800  0.1340  0.1012  156 ILE   B CB  
1899 C CB  D ILE   B 147 ? 0.9037 1.0928 0.4571 0.2800  0.1340  0.1012  156 ILE   B CB  
1900 C CG1 A ILE   B 147 ? 0.9063 1.0905 0.4565 0.2856  0.1425  0.1087  156 ILE   B CG1 
1901 C CG1 B ILE   B 147 ? 0.9062 1.0905 0.4563 0.2856  0.1425  0.1087  156 ILE   B CG1 
1902 C CG1 C ILE   B 147 ? 0.9096 1.0912 0.4608 0.2830  0.1422  0.1081  156 ILE   B CG1 
1903 C CG1 D ILE   B 147 ? 0.9097 1.0913 0.4609 0.2830  0.1422  0.1081  156 ILE   B CG1 
1904 C CG2 A ILE   B 147 ? 0.9015 1.0580 0.4353 0.2723  0.1188  0.0867  156 ILE   B CG2 
1905 C CG2 B ILE   B 147 ? 0.9013 1.0578 0.4351 0.2723  0.1188  0.0867  156 ILE   B CG2 
1906 C CG2 C ILE   B 147 ? 0.9091 1.0708 0.4407 0.2775  0.1188  0.0877  156 ILE   B CG2 
1907 C CG2 D ILE   B 147 ? 0.9092 1.0709 0.4408 0.2774  0.1187  0.0877  156 ILE   B CG2 
1908 C CD1 A ILE   B 147 ? 0.9210 1.0939 0.4401 0.3085  0.1380  0.1075  156 ILE   B CD1 
1909 C CD1 B ILE   B 147 ? 0.9210 1.0937 0.4400 0.3085  0.1378  0.1074  156 ILE   B CD1 
1910 C CD1 C ILE   B 147 ? 0.9236 1.0949 0.4448 0.3060  0.1388  0.1078  156 ILE   B CD1 
1911 C CD1 D ILE   B 147 ? 0.9237 1.0948 0.4448 0.3060  0.1387  0.1077  156 ILE   B CD1 
1912 N N   A LYS   B 148 ? 0.9096 1.1618 0.5019 0.2846  0.1464  0.1130  157 LYS   B N   
1913 N N   B LYS   B 148 ? 0.9095 1.1618 0.5019 0.2846  0.1464  0.1130  157 LYS   B N   
1914 N N   C LYS   B 148 ? 0.9108 1.1674 0.5120 0.2797  0.1483  0.1140  157 LYS   B N   
1915 N N   D LYS   B 148 ? 0.9108 1.1675 0.5120 0.2797  0.1483  0.1140  157 LYS   B N   
1916 C CA  A LYS   B 148 ? 0.9196 1.2069 0.5282 0.2941  0.1563  0.1225  157 LYS   B CA  
1917 C CA  B LYS   B 148 ? 0.9195 1.2069 0.5282 0.2941  0.1563  0.1225  157 LYS   B CA  
1918 C CA  C LYS   B 148 ? 0.9194 1.2119 0.5404 0.2867  0.1587  0.1237  157 LYS   B CA  
1919 C CA  D LYS   B 148 ? 0.9194 1.2119 0.5404 0.2867  0.1587  0.1237  157 LYS   B CA  
1920 C C   A LYS   B 148 ? 0.9240 1.2256 0.5499 0.2936  0.1737  0.1374  157 LYS   B C   
1921 C C   B LYS   B 148 ? 0.9239 1.2255 0.5498 0.2936  0.1737  0.1374  157 LYS   B C   
1922 C C   C LYS   B 148 ? 0.9268 1.2311 0.5607 0.2886  0.1757  0.1386  157 LYS   B C   
1923 C C   D LYS   B 148 ? 0.9268 1.2311 0.5608 0.2886  0.1757  0.1386  157 LYS   B C   
1924 O O   A LYS   B 148 ? 0.9228 1.2545 0.5762 0.2901  0.1846  0.1461  157 LYS   B O   
1925 O O   B LYS   B 148 ? 0.9227 1.2544 0.5761 0.2901  0.1846  0.1461  157 LYS   B O   
1926 O O   C LYS   B 148 ? 0.9254 1.2576 0.5896 0.2819  0.1873  0.1475  157 LYS   B O   
1927 O O   D LYS   B 148 ? 0.9255 1.2576 0.5896 0.2819  0.1873  0.1475  157 LYS   B O   
1928 C CB  A LYS   B 148 ? 0.9387 1.2299 0.5197 0.3200  0.1511  0.1211  157 LYS   B CB  
1929 C CB  B LYS   B 148 ? 0.9386 1.2298 0.5196 0.3200  0.1511  0.1211  157 LYS   B CB  
1930 C CB  C LYS   B 148 ? 0.9351 1.2359 0.5333 0.3103  0.1527  0.1212  157 LYS   B CB  
1931 C CB  D LYS   B 148 ? 0.9352 1.2359 0.5333 0.3103  0.1527  0.1212  157 LYS   B CB  
1932 C CG  A LYS   B 148 ? 0.9438 1.2285 0.5102 0.3240  0.1359  0.1089  157 LYS   B CG  
1933 C CG  B LYS   B 148 ? 0.9437 1.2285 0.5102 0.3240  0.1359  0.1089  157 LYS   B CG  
1934 C CG  C LYS   B 148 ? 0.9538 1.2390 0.5185 0.3321  0.1512  0.1227  157 LYS   B CG  
1935 C CG  D LYS   B 148 ? 0.9539 1.2390 0.5185 0.3321  0.1512  0.1227  157 LYS   B CG  
1936 C CD  A LYS   B 148 ? 0.9628 1.2390 0.4944 0.3497  0.1281  0.1055  157 LYS   B CD  
1937 C CD  B LYS   B 148 ? 0.9627 1.2390 0.4944 0.3497  0.1281  0.1055  157 LYS   B CD  
1938 C CD  C LYS   B 148 ? 0.9589 1.2066 0.4940 0.3328  0.1365  0.1108  157 LYS   B CD  
1939 C CD  D LYS   B 148 ? 0.9590 1.2066 0.4940 0.3328  0.1365  0.1108  157 LYS   B CD  
1940 C CE  A LYS   B 148 ? 0.9760 1.2833 0.5100 0.3699  0.1379  0.1154  157 LYS   B CE  
1941 C CE  B LYS   B 148 ? 0.9758 1.2832 0.5099 0.3699  0.1379  0.1154  157 LYS   B CE  
1942 C CE  C LYS   B 148 ? 0.9608 1.1979 0.4839 0.3318  0.1216  0.0985  157 LYS   B CE  
1943 C CE  D LYS   B 148 ? 0.9609 1.1980 0.4839 0.3318  0.1216  0.0985  157 LYS   B CE  
1944 N NZ  A LYS   B 148 ? 0.9721 1.3112 0.5279 0.3686  0.1394  0.1156  157 LYS   B NZ  
1945 N NZ  B LYS   B 148 ? 0.9720 1.3111 0.5279 0.3686  0.1394  0.1156  157 LYS   B NZ  
1946 N NZ  C LYS   B 148 ? 0.9473 1.1686 0.4814 0.3082  0.1160  0.0910  157 LYS   B NZ  
1947 N NZ  D LYS   B 148 ? 0.9473 1.1686 0.4815 0.3082  0.1160  0.0910  157 LYS   B NZ  
1948 N N   A ASN   B 149 ? 0.9319 1.2125 0.5417 0.2975  0.1762  0.1402  158 ASN   B N   
1949 N N   B ASN   B 149 ? 0.9318 1.2124 0.5416 0.2975  0.1762  0.1402  158 ASN   B N   
1950 N N   C ASN   B 149 ? 0.9374 1.2209 0.5495 0.2974  0.1770  0.1409  158 ASN   B N   
1951 N N   D ASN   B 149 ? 0.9374 1.2209 0.5495 0.2974  0.1770  0.1409  158 ASN   B N   
1952 C CA  A ASN   B 149 ? 0.9382 1.2262 0.5552 0.3016  0.1923  0.1548  158 ASN   B CA  
1953 C CA  B ASN   B 149 ? 0.9381 1.2262 0.5552 0.3016  0.1923  0.1548  158 ASN   B CA  
1954 C CA  C ASN   B 149 ? 0.9432 1.2319 0.5608 0.3015  0.1926  0.1551  158 ASN   B CA  
1955 C CA  D ASN   B 149 ? 0.9432 1.2319 0.5608 0.3015  0.1926  0.1551  158 ASN   B CA  
1956 C C   A ASN   B 149 ? 0.9241 1.2111 0.5714 0.2771  0.1999  0.1589  158 ASN   B C   
1957 C C   B ASN   B 149 ? 0.9240 1.2110 0.5713 0.2771  0.1999  0.1589  158 ASN   B C   
1958 C C   C ASN   B 149 ? 0.9273 1.2143 0.5747 0.2771  0.2000  0.1590  158 ASN   B C   
1959 C C   D ASN   B 149 ? 0.9273 1.2143 0.5747 0.2771  0.2000  0.1590  158 ASN   B C   
1960 O O   A ASN   B 149 ? 0.9291 1.2375 0.6010 0.2728  0.2149  0.1718  158 ASN   B O   
1961 O O   B ASN   B 149 ? 0.9290 1.2374 0.6009 0.2728  0.2149  0.1718  158 ASN   B O   
1962 O O   C ASN   B 149 ? 0.9333 1.2412 0.6050 0.2728  0.2151  0.1720  158 ASN   B O   
1963 O O   D ASN   B 149 ? 0.9334 1.2412 0.6051 0.2728  0.2151  0.1720  158 ASN   B O   
1964 C CB  A ASN   B 149 ? 0.9552 1.2198 0.5394 0.3181  0.1894  0.1542  158 ASN   B CB  
1965 C CB  B ASN   B 149 ? 0.9551 1.2198 0.5394 0.3182  0.1895  0.1543  158 ASN   B CB  
1966 C CB  C ASN   B 149 ? 0.9615 1.2257 0.5456 0.3177  0.1888  0.1536  158 ASN   B CB  
1967 C CB  D ASN   B 149 ? 0.9616 1.2259 0.5457 0.3178  0.1889  0.1537  158 ASN   B CB  
1968 C CG  A ASN   B 149 ? 0.9645 1.2146 0.5166 0.3341  0.1738  0.1423  158 ASN   B CG  
1969 C CG  B ASN   B 149 ? 0.9644 1.2145 0.5165 0.3341  0.1738  0.1423  158 ASN   B CG  
1970 C CG  C ASN   B 149 ? 0.9754 1.2330 0.5279 0.3389  0.1766  0.1453  158 ASN   B CG  
1971 C CG  D ASN   B 149 ? 0.9754 1.2331 0.5280 0.3389  0.1767  0.1453  158 ASN   B CG  
1972 O OD1 A ASN   B 149 ? 0.9652 1.2279 0.5155 0.3402  0.1683  0.1382  158 ASN   B OD1 
1973 O OD1 B ASN   B 149 ? 0.9652 1.2278 0.5154 0.3403  0.1682  0.1382  158 ASN   B OD1 
1974 O OD1 C ASN   B 149 ? 0.9797 1.2580 0.5325 0.3498  0.1768  0.1465  158 ASN   B OD1 
1975 O OD1 D ASN   B 149 ? 0.9797 1.2580 0.5325 0.3498  0.1768  0.1465  158 ASN   B OD1 
1976 N ND2 A ASN   B 149 ? 0.9729 1.1960 0.4998 0.3411  0.1661  0.1361  158 ASN   B ND2 
1977 N ND2 B ASN   B 149 ? 0.9728 1.1959 0.4998 0.3410  0.1661  0.1361  158 ASN   B ND2 
1978 N ND2 C ASN   B 149 ? 0.9832 1.2120 0.5091 0.3448  0.1657  0.1363  158 ASN   B ND2 
1979 N ND2 D ASN   B 149 ? 0.9833 1.2122 0.5092 0.3449  0.1657  0.1363  158 ASN   B ND2 
1980 N N   . GLY   B 150 ? 0.9121 1.1751 0.5578 0.2617  0.1899  0.1482  159 GLY   B N   
1981 C CA  . GLY   B 150 ? 0.8888 1.1438 0.5570 0.2403  0.1949  0.1501  159 GLY   B CA  
1982 C C   . GLY   B 150 ? 0.8772 1.1019 0.5251 0.2408  0.1907  0.1460  159 GLY   B C   
1983 O O   . GLY   B 150 ? 0.8652 1.0780 0.5267 0.2239  0.1921  0.1449  159 GLY   B O   
1984 N N   A SER   B 151 ? 0.8840 1.0970 0.5006 0.2604  0.1854  0.1434  160 SER   B N   
1985 N N   B SER   B 151 ? 0.8835 1.0967 0.5001 0.2605  0.1853  0.1434  160 SER   B N   
1986 N N   C SER   B 151 ? 0.8841 1.0971 0.5007 0.2604  0.1854  0.1434  160 SER   B N   
1987 N N   D SER   B 151 ? 0.8837 1.0968 0.5002 0.2605  0.1853  0.1434  160 SER   B N   
1988 C CA  A SER   B 151 ? 0.8828 1.0681 0.4774 0.2640  0.1790  0.1373  160 SER   B CA  
1989 C CA  B SER   B 151 ? 0.8823 1.0677 0.4758 0.2649  0.1785  0.1370  160 SER   B CA  
1990 C CA  C SER   B 151 ? 0.8829 1.0682 0.4775 0.2640  0.1790  0.1373  160 SER   B CA  
1991 C CA  D SER   B 151 ? 0.8824 1.0678 0.4759 0.2648  0.1785  0.1370  160 SER   B CA  
1992 C C   A SER   B 151 ? 0.8671 1.0333 0.4561 0.2515  0.1640  0.1215  160 SER   B C   
1993 C C   B SER   B 151 ? 0.8661 1.0325 0.4557 0.2510  0.1641  0.1215  160 SER   B C   
1994 C C   C SER   B 151 ? 0.8672 1.0335 0.4563 0.2515  0.1640  0.1215  160 SER   B C   
1995 C C   D SER   B 151 ? 0.8663 1.0327 0.4560 0.2510  0.1641  0.1215  160 SER   B C   
1996 O O   A SER   B 151 ? 0.8632 1.0367 0.4581 0.2455  0.1577  0.1156  160 SER   B O   
1997 O O   B SER   B 151 ? 0.8608 1.0346 0.4584 0.2434  0.1581  0.1157  160 SER   B O   
1998 O O   C SER   B 151 ? 0.8635 1.0370 0.4585 0.2454  0.1576  0.1156  160 SER   B O   
1999 O O   D SER   B 151 ? 0.8612 1.0349 0.4587 0.2434  0.1581  0.1157  160 SER   B O   
2000 C CB  A SER   B 151 ? 0.9008 1.0821 0.4659 0.2893  0.1775  0.1390  160 SER   B CB  
2001 C CB  B SER   B 151 ? 0.8994 1.0810 0.4625 0.2903  0.1757  0.1374  160 SER   B CB  
2002 C CB  C SER   B 151 ? 0.9010 1.0823 0.4661 0.2893  0.1775  0.1389  160 SER   B CB  
2003 C CB  D SER   B 151 ? 0.8996 1.0812 0.4628 0.2903  0.1756  0.1374  160 SER   B CB  
2004 O OG  A SER   B 151 ? 0.9067 1.0654 0.4558 0.2929  0.1744  0.1356  160 SER   B OG  
2005 O OG  B SER   B 151 ? 0.9017 1.0947 0.4568 0.3001  0.1694  0.1336  160 SER   B OG  
2006 O OG  C SER   B 151 ? 0.9068 1.0655 0.4560 0.2928  0.1744  0.1356  160 SER   B OG  
2007 O OG  D SER   B 151 ? 0.9019 1.0948 0.4570 0.3001  0.1694  0.1336  160 SER   B OG  
2008 N N   . TYR   B 152 ? 0.8596 1.0030 0.4372 0.2486  0.1588  0.1152  161 TYR   B N   
2009 C CA  . TYR   B 152 ? 0.8320 0.9568 0.4064 0.2349  0.1467  0.1014  161 TYR   B CA  
2010 C C   . TYR   B 152 ? 0.8075 0.9154 0.3531 0.2472  0.1342  0.0913  161 TYR   B C   
2011 O O   . TYR   B 152 ? 0.8191 0.9189 0.3477 0.2616  0.1337  0.0921  161 TYR   B O   
2012 C CB  . TYR   B 152 ? 0.8309 0.9440 0.4162 0.2216  0.1501  0.1011  161 TYR   B CB  
2013 C CG  . TYR   B 152 ? 0.8317 0.9292 0.4175 0.2062  0.1400  0.0882  161 TYR   B CG  
2014 C CD1 . TYR   B 152 ? 0.8221 0.9253 0.4223 0.1915  0.1370  0.0839  161 TYR   B CD1 
2015 C CD2 . TYR   B 152 ? 0.8362 0.9141 0.4070 0.2075  0.1332  0.0800  161 TYR   B CD2 
2016 C CE1 . TYR   B 152 ? 0.8187 0.9077 0.4174 0.1786  0.1284  0.0727  161 TYR   B CE1 
2017 C CE2 . TYR   B 152 ? 0.8280 0.8929 0.3993 0.1936  0.1250  0.0688  161 TYR   B CE2 
2018 C CZ  . TYR   B 152 ? 0.8210 0.8910 0.4053 0.1795  0.1230  0.0656  161 TYR   B CZ  
2019 O OH  . TYR   B 152 ? 0.8196 0.8763 0.4020 0.1672  0.1157  0.0552  161 TYR   B OH  
2020 N N   . VAL   B 153 ? 0.7709 0.8720 0.3110 0.2410  0.1235  0.0813  162 VAL   B N   
2021 C CA  . VAL   B 153 ? 0.7524 0.8329 0.2669 0.2487  0.1109  0.0706  162 VAL   B CA  
2022 C C   . VAL   B 153 ? 0.7304 0.7942 0.2491 0.2300  0.1046  0.0608  162 VAL   B C   
2023 O O   . VAL   B 153 ? 0.7187 0.7852 0.2484 0.2158  0.1027  0.0577  162 VAL   B O   
2024 C CB  . VAL   B 153 ? 0.7641 0.8472 0.2626 0.2611  0.1037  0.0679  162 VAL   B CB  
2025 C CG1 . VAL   B 153 ? 0.7729 0.8312 0.2471 0.2658  0.0905  0.0566  162 VAL   B CG1 
2026 C CG2 . VAL   B 153 ? 0.7772 0.8787 0.2703 0.2822  0.1107  0.0779  162 VAL   B CG2 
2027 N N   A SER   B 154 ? 0.7282 0.7757 0.2385 0.2300  0.1010  0.0553  163 SER   B N   
2028 N N   B SER   B 154 ? 0.7282 0.7757 0.2385 0.2300  0.1010  0.0553  163 SER   B N   
2029 N N   C SER   B 154 ? 0.7285 0.7754 0.2383 0.2299  0.1006  0.0549  163 SER   B N   
2030 N N   D SER   B 154 ? 0.7285 0.7754 0.2383 0.2299  0.1006  0.0549  163 SER   B N   
2031 C CA  A SER   B 154 ? 0.7156 0.7481 0.2301 0.2127  0.0958  0.0460  163 SER   B CA  
2032 C CA  B SER   B 154 ? 0.7156 0.7482 0.2301 0.2127  0.0958  0.0460  163 SER   B CA  
2033 C CA  C SER   B 154 ? 0.7159 0.7479 0.2302 0.2123  0.0954  0.0456  163 SER   B CA  
2034 C CA  D SER   B 154 ? 0.7159 0.7479 0.2302 0.2123  0.0954  0.0456  163 SER   B CA  
2035 C C   A SER   B 154 ? 0.7187 0.7334 0.2145 0.2130  0.0836  0.0354  163 SER   B C   
2036 C C   B SER   B 154 ? 0.7187 0.7335 0.2146 0.2130  0.0837  0.0354  163 SER   B C   
2037 C C   C SER   B 154 ? 0.7194 0.7325 0.2144 0.2131  0.0831  0.0347  163 SER   B C   
2038 C C   D SER   B 154 ? 0.7194 0.7325 0.2144 0.2131  0.0831  0.0347  163 SER   B C   
2039 O O   A SER   B 154 ? 0.7314 0.7369 0.2090 0.2268  0.0776  0.0322  163 SER   B O   
2040 O O   B SER   B 154 ? 0.7314 0.7371 0.2091 0.2268  0.0776  0.0322  163 SER   B O   
2041 O O   C SER   B 154 ? 0.7331 0.7382 0.2106 0.2274  0.0777  0.0321  163 SER   B O   
2042 O O   D SER   B 154 ? 0.7331 0.7382 0.2106 0.2274  0.0777  0.0321  163 SER   B O   
2043 C CB  A SER   B 154 ? 0.7128 0.7380 0.2315 0.2094  0.0980  0.0443  163 SER   B CB  
2044 C CB  B SER   B 154 ? 0.7128 0.7380 0.2315 0.2094  0.0980  0.0443  163 SER   B CB  
2045 C CB  C SER   B 154 ? 0.7114 0.7379 0.2332 0.2071  0.0990  0.0448  163 SER   B CB  
2046 C CB  D SER   B 154 ? 0.7114 0.7379 0.2332 0.2071  0.0990  0.0448  163 SER   B CB  
2047 O OG  A SER   B 154 ? 0.7046 0.7191 0.2303 0.1918  0.0943  0.0358  163 SER   B OG  
2048 O OG  B SER   B 154 ? 0.7045 0.7191 0.2303 0.1918  0.0944  0.0358  163 SER   B OG  
2049 O OG  C SER   B 154 ? 0.7053 0.7188 0.2304 0.1912  0.0936  0.0350  163 SER   B OG  
2050 O OG  D SER   B 154 ? 0.7053 0.7188 0.2303 0.1912  0.0936  0.0350  163 SER   B OG  
2051 N N   A ALA   B 155 ? 0.7089 0.7168 0.2084 0.1979  0.0799  0.0297  164 ALA   B N   
2052 N N   B ALA   B 155 ? 0.7089 0.7168 0.2084 0.1979  0.0799  0.0298  164 ALA   B N   
2053 N N   C ALA   B 155 ? 0.7100 0.7145 0.2075 0.1979  0.0788  0.0283  164 ALA   B N   
2054 N N   D ALA   B 155 ? 0.7100 0.7145 0.2075 0.1979  0.0788  0.0283  164 ALA   B N   
2055 C CA  A ALA   B 155 ? 0.7126 0.7002 0.1968 0.1941  0.0700  0.0201  164 ALA   B CA  
2056 C CA  B ALA   B 155 ? 0.7127 0.7002 0.1968 0.1942  0.0700  0.0201  164 ALA   B CA  
2057 C CA  C ALA   B 155 ? 0.7140 0.6978 0.1955 0.1950  0.0687  0.0185  164 ALA   B CA  
2058 C CA  D ALA   B 155 ? 0.7140 0.6978 0.1955 0.1950  0.0687  0.0185  164 ALA   B CA  
2059 C C   A ALA   B 155 ? 0.7110 0.6859 0.1930 0.1919  0.0672  0.0137  164 ALA   B C   
2060 C C   B ALA   B 155 ? 0.7110 0.6859 0.1930 0.1919  0.0672  0.0137  164 ALA   B C   
2061 C C   C ALA   B 155 ? 0.7119 0.6834 0.1918 0.1926  0.0659  0.0119  164 ALA   B C   
2062 C C   D ALA   B 155 ? 0.7119 0.6833 0.1918 0.1926  0.0659  0.0119  164 ALA   B C   
2063 O O   A ALA   B 155 ? 0.7012 0.6821 0.1981 0.1851  0.0733  0.0152  164 ALA   B O   
2064 O O   B ALA   B 155 ? 0.7013 0.6821 0.1981 0.1851  0.0733  0.0152  164 ALA   B O   
2065 O O   C ALA   B 155 ? 0.7013 0.6790 0.1964 0.1854  0.0720  0.0134  164 ALA   B O   
2066 O O   D ALA   B 155 ? 0.7013 0.6789 0.1964 0.1853  0.0720  0.0134  164 ALA   B O   
2067 C CB  A ALA   B 155 ? 0.7061 0.6896 0.1967 0.1770  0.0689  0.0164  164 ALA   B CB  
2068 C CB  B ALA   B 155 ? 0.7062 0.6896 0.1967 0.1770  0.0690  0.0164  164 ALA   B CB  
2069 C CB  C ALA   B 155 ? 0.7086 0.6874 0.1953 0.1781  0.0673  0.0147  164 ALA   B CB  
2070 C CB  D ALA   B 155 ? 0.7086 0.6874 0.1953 0.1781  0.0673  0.0147  164 ALA   B CB  
2071 N N   A ILE   B 156 ? 0.7217 0.6792 0.1861 0.1974  0.0577  0.0060  165 ILE   B N   
2072 N N   B ILE   B 156 ? 0.7217 0.6792 0.1861 0.1974  0.0577  0.0060  165 ILE   B N   
2073 N N   C ILE   B 156 ? 0.7227 0.6760 0.1852 0.1975  0.0560  0.0037  165 ILE   B N   
2074 N N   D ILE   B 156 ? 0.7226 0.6760 0.1852 0.1975  0.0560  0.0037  165 ILE   B N   
2075 C CA  A ILE   B 156 ? 0.7215 0.6654 0.1859 0.1906  0.0532  -0.0028 165 ILE   B CA  
2076 C CA  B ILE   B 156 ? 0.7215 0.6654 0.1859 0.1906  0.0532  -0.0028 165 ILE   B CA  
2077 C CA  C ILE   B 156 ? 0.7220 0.6625 0.1855 0.1904  0.0516  -0.0052 165 ILE   B CA  
2078 C CA  D ILE   B 156 ? 0.7220 0.6625 0.1855 0.1904  0.0516  -0.0052 165 ILE   B CA  
2079 C C   A ILE   B 156 ? 0.7125 0.6492 0.1843 0.1706  0.0533  -0.0072 165 ILE   B C   
2080 C C   B ILE   B 156 ? 0.7125 0.6492 0.1843 0.1705  0.0533  -0.0072 165 ILE   B C   
2081 C C   C ILE   B 156 ? 0.7121 0.6463 0.1839 0.1700  0.0523  -0.0092 165 ILE   B C   
2082 C C   D ILE   B 156 ? 0.7121 0.6463 0.1839 0.1700  0.0523  -0.0092 165 ILE   B C   
2083 O O   A ILE   B 156 ? 0.7245 0.6461 0.1837 0.1686  0.0466  -0.0120 165 ILE   B O   
2084 O O   B ILE   B 156 ? 0.7244 0.6461 0.1837 0.1685  0.0466  -0.0119 165 ILE   B O   
2085 O O   C ILE   B 156 ? 0.7235 0.6415 0.1839 0.1668  0.0452  -0.0153 165 ILE   B O   
2086 O O   D ILE   B 156 ? 0.7235 0.6414 0.1839 0.1668  0.0452  -0.0153 165 ILE   B O   
2087 C CB  A ILE   B 156 ? 0.7386 0.6665 0.1848 0.2019  0.0426  -0.0104 165 ILE   B CB  
2088 C CB  B ILE   B 156 ? 0.7386 0.6665 0.1848 0.2019  0.0426  -0.0104 165 ILE   B CB  
2089 C CB  C ILE   B 156 ? 0.7388 0.6630 0.1845 0.2009  0.0408  -0.0131 165 ILE   B CB  
2090 C CB  D ILE   B 156 ? 0.7388 0.6630 0.1845 0.2009  0.0408  -0.0131 165 ILE   B CB  
2091 C CG1 A ILE   B 156 ? 0.7482 0.6828 0.1838 0.2242  0.0418  -0.0064 165 ILE   B CG1 
2092 C CG1 B ILE   B 156 ? 0.7482 0.6828 0.1837 0.2242  0.0418  -0.0064 165 ILE   B CG1 
2093 C CG1 C ILE   B 156 ? 0.7505 0.6797 0.1829 0.2237  0.0389  -0.0093 165 ILE   B CG1 
2094 C CG1 D ILE   B 156 ? 0.7505 0.6797 0.1830 0.2237  0.0389  -0.0093 165 ILE   B CG1 
2095 C CG2 A ILE   B 156 ? 0.7384 0.6567 0.1904 0.1927  0.0388  -0.0198 165 ILE   B CG2 
2096 C CG2 B ILE   B 156 ? 0.7384 0.6566 0.1904 0.1927  0.0388  -0.0198 165 ILE   B CG2 
2097 C CG2 C ILE   B 156 ? 0.7378 0.6545 0.1900 0.1937  0.0375  -0.0220 165 ILE   B CG2 
2098 C CG2 D ILE   B 156 ? 0.7378 0.6545 0.1900 0.1937  0.0375  -0.0220 165 ILE   B CG2 
2099 C CD1 A ILE   B 156 ? 0.7666 0.6858 0.1839 0.2371  0.0304  -0.0145 165 ILE   B CD1 
2100 C CD1 B ILE   B 156 ? 0.7666 0.6858 0.1839 0.2371  0.0304  -0.0146 165 ILE   B CD1 
2101 C CD1 C ILE   B 156 ? 0.7698 0.6824 0.1834 0.2356  0.0271  -0.0175 165 ILE   B CD1 
2102 C CD1 D ILE   B 156 ? 0.7698 0.6824 0.1834 0.2356  0.0271  -0.0175 165 ILE   B CD1 
2103 N N   A THR   B 157 ? 0.6961 0.6421 0.1860 0.1574  0.0606  -0.0054 166 THR   B N   
2104 N N   B THR   B 157 ? 0.6961 0.6421 0.1860 0.1574  0.0606  -0.0054 166 THR   B N   
2105 N N   C THR   B 157 ? 0.6957 0.6408 0.1853 0.1576  0.0601  -0.0061 166 THR   B N   
2106 N N   D THR   B 157 ? 0.6957 0.6408 0.1853 0.1576  0.0601  -0.0061 166 THR   B N   
2107 C CA  A THR   B 157 ? 0.6883 0.6281 0.1855 0.1388  0.0613  -0.0103 166 THR   B CA  
2108 C CA  B THR   B 157 ? 0.6883 0.6281 0.1855 0.1388  0.0613  -0.0103 166 THR   B CA  
2109 C CA  C THR   B 157 ? 0.6872 0.6275 0.1849 0.1389  0.0615  -0.0102 166 THR   B CA  
2110 C CA  D THR   B 157 ? 0.6872 0.6275 0.1849 0.1389  0.0615  -0.0102 166 THR   B CA  
2111 C C   A THR   B 157 ? 0.6927 0.6213 0.1900 0.1332  0.0573  -0.0193 166 THR   B C   
2112 C C   B THR   B 157 ? 0.6926 0.6213 0.1900 0.1331  0.0573  -0.0193 166 THR   B C   
2113 C C   C THR   B 157 ? 0.6911 0.6206 0.1896 0.1325  0.0579  -0.0191 166 THR   B C   
2114 C C   D THR   B 157 ? 0.6911 0.6206 0.1896 0.1325  0.0579  -0.0191 166 THR   B C   
2115 O O   A THR   B 157 ? 0.6852 0.6204 0.1927 0.1340  0.0598  -0.0207 166 THR   B O   
2116 O O   B THR   B 157 ? 0.6853 0.6204 0.1927 0.1340  0.0598  -0.0207 166 THR   B O   
2117 O O   C THR   B 157 ? 0.6837 0.6193 0.1922 0.1330  0.0603  -0.0206 166 THR   B O   
2118 O O   D THR   B 157 ? 0.6837 0.6193 0.1922 0.1330  0.0603  -0.0206 166 THR   B O   
2119 C CB  A THR   B 157 ? 0.6720 0.6251 0.1871 0.1288  0.0691  -0.0063 166 THR   B CB  
2120 C CB  B THR   B 157 ? 0.6720 0.6251 0.1871 0.1288  0.0691  -0.0063 166 THR   B CB  
2121 C CB  C THR   B 157 ? 0.6710 0.6254 0.1865 0.1300  0.0696  -0.0056 166 THR   B CB  
2122 C CB  D THR   B 157 ? 0.6710 0.6254 0.1865 0.1300  0.0696  -0.0056 166 THR   B CB  
2123 O OG1 A THR   B 157 ? 0.6708 0.6354 0.1862 0.1369  0.0718  0.0014  166 THR   B OG1 
2124 O OG1 B THR   B 157 ? 0.6708 0.6354 0.1863 0.1368  0.0718  0.0014  166 THR   B OG1 
2125 O OG1 C THR   B 157 ? 0.6705 0.6361 0.1855 0.1386  0.0719  0.0021  166 THR   B OG1 
2126 O OG1 D THR   B 157 ? 0.6705 0.6361 0.1855 0.1386  0.0719  0.0021  166 THR   B OG1 
2127 C CG2 A THR   B 157 ? 0.6686 0.6135 0.1861 0.1118  0.0688  -0.0120 166 THR   B CG2 
2128 C CG2 B THR   B 157 ? 0.6686 0.6135 0.1861 0.1118  0.0688  -0.0120 166 THR   B CG2 
2129 C CG2 C THR   B 157 ? 0.6655 0.6138 0.1862 0.1122  0.0702  -0.0108 166 THR   B CG2 
2130 C CG2 D THR   B 157 ? 0.6655 0.6138 0.1862 0.1122  0.0702  -0.0108 166 THR   B CG2 
2131 N N   . GLN   B 158 ? 0.7040 0.6162 0.1911 0.1260  0.0518  -0.0251 167 GLN   B N   
2132 C CA  . GLN   B 158 ? 0.7114 0.6134 0.2014 0.1166  0.0485  -0.0339 167 GLN   B CA  
2133 C C   . GLN   B 158 ? 0.7235 0.6199 0.2164 0.0993  0.0519  -0.0352 167 GLN   B C   
2134 O O   . GLN   B 158 ? 0.7184 0.6101 0.2020 0.0979  0.0522  -0.0312 167 GLN   B O   
2135 C CB  . GLN   B 158 ? 0.7279 0.6139 0.2031 0.1239  0.0393  -0.0391 167 GLN   B CB  
2136 C CG  . GLN   B 158 ? 0.7312 0.6086 0.2118 0.1160  0.0351  -0.0488 167 GLN   B CG  
2137 C CD  . GLN   B 158 ? 0.7174 0.6089 0.2151 0.1157  0.0378  -0.0526 167 GLN   B CD  
2138 O OE1 . GLN   B 158 ? 0.6997 0.6038 0.2100 0.1092  0.0455  -0.0495 167 GLN   B OE1 
2139 N NE2 . GLN   B 158 ? 0.7236 0.6126 0.2207 0.1240  0.0308  -0.0597 167 GLN   B NE2 
2140 N N   . GLY   B 159 ? 0.7368 0.6341 0.2412 0.0878  0.0541  -0.0408 168 GLY   B N   
2141 C CA  . GLY   B 159 ? 0.7649 0.6569 0.2709 0.0722  0.0578  -0.0420 168 GLY   B CA  
2142 C C   . GLY   B 159 ? 0.8088 0.6830 0.3061 0.0658  0.0534  -0.0470 168 GLY   B C   
2143 O O   . GLY   B 159 ? 0.8328 0.6962 0.3201 0.0739  0.0463  -0.0490 168 GLY   B O   
2144 N N   . LYS   B 160 ? 0.8622 0.7323 0.3628 0.0512  0.0579  -0.0487 169 LYS   B N   
2145 C CA  . LYS   B 160 ? 0.9180 0.7709 0.4129 0.0420  0.0556  -0.0527 169 LYS   B CA  
2146 C C   . LYS   B 160 ? 0.9470 0.8082 0.4604 0.0307  0.0590  -0.0596 169 LYS   B C   
2147 O O   . LYS   B 160 ? 0.9407 0.8161 0.4658 0.0251  0.0658  -0.0593 169 LYS   B O   
2148 C CB  . LYS   B 160 ? 0.9542 0.7944 0.4353 0.0345  0.0590  -0.0479 169 LYS   B CB  
2149 C CG  . LYS   B 160 ? 0.9884 0.8043 0.4532 0.0326  0.0541  -0.0483 169 LYS   B CG  
2150 C CD  . LYS   B 160 ? 1.0051 0.8078 0.4577 0.0228  0.0592  -0.0439 169 LYS   B CD  
2151 C CE  . LYS   B 160 ? 1.0340 0.8150 0.4804 0.0127  0.0582  -0.0460 169 LYS   B CE  
2152 N NZ  . LYS   B 160 ? 1.0484 0.8211 0.4882 0.0002  0.0665  -0.0420 169 LYS   B NZ  
2153 N N   . ARG   B 161 ? 0.9974 0.8504 0.5138 0.0279  0.0540  -0.0662 170 ARG   B N   
2154 C CA  . ARG   B 161 ? 1.0314 0.8912 0.5659 0.0156  0.0568  -0.0736 170 ARG   B CA  
2155 C C   . ARG   B 161 ? 1.0826 0.9270 0.6118 0.0004  0.0608  -0.0724 170 ARG   B C   
2156 O O   . ARG   B 161 ? 1.0918 0.9155 0.6054 0.0016  0.0560  -0.0705 170 ARG   B O   
2157 C CB  . ARG   B 161 ? 1.0371 0.8991 0.5799 0.0225  0.0481  -0.0822 170 ARG   B CB  
2158 C CG  . ARG   B 161 ? 1.0334 0.9102 0.5987 0.0142  0.0501  -0.0910 170 ARG   B CG  
2159 C CD  . ARG   B 161 ? 1.0579 0.9332 0.6301 0.0195  0.0400  -0.1009 170 ARG   B CD  
2160 N NE  . ARG   B 161 ? 1.0634 0.9529 0.6582 0.0097  0.0418  -0.1100 170 ARG   B NE  
2161 C CZ  . ARG   B 161 ? 1.0498 0.9572 0.6585 0.0170  0.0395  -0.1169 170 ARG   B CZ  
2162 N NH1 . ARG   B 161 ? 1.0321 0.9445 0.6339 0.0344  0.0357  -0.1150 170 ARG   B NH1 
2163 N NH2 . ARG   B 161 ? 1.0541 0.9747 0.6835 0.0072  0.0413  -0.1254 170 ARG   B NH2 
2164 N N   . GLU   B 162 ? 1.1339 0.9872 0.6741 -0.0125 0.0698  -0.0729 171 GLU   B N   
2165 C CA  . GLU   B 162 ? 1.1896 1.0297 0.7252 -0.0276 0.0759  -0.0707 171 GLU   B CA  
2166 C C   . GLU   B 162 ? 1.2047 1.0481 0.7591 -0.0390 0.0760  -0.0789 171 GLU   B C   
2167 O O   . GLU   B 162 ? 1.2321 1.0571 0.7823 -0.0454 0.0727  -0.0801 171 GLU   B O   
2168 C CB  . GLU   B 162 ? 1.2207 1.0689 0.7550 -0.0339 0.0863  -0.0657 171 GLU   B CB  
2169 C CG  . GLU   B 162 ? 1.2394 1.0925 0.7633 -0.0226 0.0859  -0.0600 171 GLU   B CG  
2170 C CD  . GLU   B 162 ? 1.2904 1.1249 0.7901 -0.0189 0.0847  -0.0524 171 GLU   B CD  
2171 O OE1 . GLU   B 162 ? 1.3082 1.1456 0.8010 -0.0195 0.0898  -0.0479 171 GLU   B OE1 
2172 O OE2 . GLU   B 162 ? 1.3398 1.1566 0.8271 -0.0146 0.0781  -0.0515 171 GLU   B OE2 
2173 S S   A DMS   C .   ? 1.3034 1.3774 0.9308 0.1674  0.1521  0.0886  201 DMS   B S   
2174 S S   B DMS   C .   ? 1.3031 1.3772 0.9306 0.1674  0.1521  0.0886  201 DMS   B S   
2175 O O   A DMS   C .   ? 1.3135 1.4043 0.9396 0.1773  0.1551  0.0956  201 DMS   B O   
2176 O O   B DMS   C .   ? 1.3132 1.4040 0.9393 0.1773  0.1551  0.0956  201 DMS   B O   
2177 C C1  A DMS   C .   ? 1.2904 1.3605 0.9263 0.1488  0.1426  0.0757  201 DMS   B C1  
2178 C C1  B DMS   C .   ? 1.2903 1.3603 0.9261 0.1488  0.1426  0.0757  201 DMS   B C1  
2179 C C2  A DMS   C .   ? 1.3035 1.3611 0.9029 0.1801  0.1422  0.0789  201 DMS   B C2  
2180 C C2  B DMS   C .   ? 1.3035 1.3610 0.9028 0.1801  0.1422  0.0789  201 DMS   B C2  
2181 S S   A DMS   D .   ? 2.3517 2.3402 2.0323 0.0076  0.0964  -0.0535 202 DMS   B S   
2182 S S   B DMS   D .   ? 2.3251 2.3137 2.0057 0.0076  0.0964  -0.0535 202 DMS   B S   
2183 O O   A DMS   D .   ? 2.3222 2.3105 1.9884 0.0101  0.0980  -0.0528 202 DMS   B O   
2184 O O   B DMS   D .   ? 2.3010 2.2893 1.9672 0.0101  0.0980  -0.0529 202 DMS   B O   
2185 C C1  A DMS   D .   ? 2.3522 2.3363 2.0392 0.0089  0.0984  -0.0576 202 DMS   B C1  
2186 C C1  B DMS   D .   ? 2.3325 2.3165 2.0196 0.0088  0.0984  -0.0576 202 DMS   B C1  
2187 C C2  A DMS   D .   ? 2.2903 2.2814 1.9823 0.0114  0.0989  -0.0422 202 DMS   B C2  
2188 C C2  B DMS   D .   ? 2.2766 2.2677 1.9686 0.0114  0.0988  -0.0422 202 DMS   B C2  
2189 S S   A DMS   E .   ? 0.8400 0.9370 0.4963 0.1297  0.1303  0.0653  203 DMS   B S   
2190 S S   B DMS   E .   ? 0.8401 0.9371 0.4964 0.1297  0.1303  0.0653  203 DMS   B S   
2191 O O   A DMS   E .   ? 0.8411 0.9384 0.4822 0.1354  0.1218  0.0595  203 DMS   B O   
2192 O O   B DMS   E .   ? 0.8412 0.9386 0.4823 0.1354  0.1218  0.0595  203 DMS   B O   
2193 C C1  A DMS   E .   ? 0.8396 0.9147 0.4895 0.1193  0.1250  0.0550  203 DMS   B C1  
2194 C C1  B DMS   E .   ? 0.8396 0.9146 0.4894 0.1193  0.1250  0.0550  203 DMS   B C1  
2195 C C2  A DMS   E .   ? 0.8346 0.9454 0.5224 0.1132  0.1336  0.0663  203 DMS   B C2  
2196 C C2  B DMS   E .   ? 0.8346 0.9454 0.5224 0.1132  0.1336  0.0663  203 DMS   B C2  
2197 N N1  C A1BG5 F .   ? 0.5619 0.6191 0.2246 0.0879  0.1154  0.0352  204 A1BG5 B N1  
2198 N N1  D A1BG5 F .   ? 0.5619 0.6191 0.2246 0.0879  0.1154  0.0352  204 A1BG5 B N1  
2199 N N3  C A1BG5 F .   ? 0.6151 0.7079 0.2449 0.1793  0.1606  0.1012  204 A1BG5 B N3  
2200 N N3  D A1BG5 F .   ? 0.6152 0.7079 0.2449 0.1793  0.1606  0.1012  204 A1BG5 B N3  
2201 C C4  C A1BG5 F .   ? 0.5611 0.6228 0.2416 0.0844  0.1226  0.0415  204 A1BG5 B C4  
2202 C C4  D A1BG5 F .   ? 0.5611 0.6228 0.2416 0.0844  0.1226  0.0415  204 A1BG5 B C4  
2203 C C5  C A1BG5 F .   ? 0.5660 0.6302 0.2451 0.0942  0.1294  0.0507  204 A1BG5 B C5  
2204 C C5  D A1BG5 F .   ? 0.5660 0.6302 0.2451 0.0942  0.1294  0.0507  204 A1BG5 B C5  
2205 C C6  C A1BG5 F .   ? 0.5714 0.6344 0.2313 0.1086  0.1284  0.0530  204 A1BG5 B C6  
2206 C C6  D A1BG5 F .   ? 0.5714 0.6344 0.2313 0.1086  0.1284  0.0530  204 A1BG5 B C6  
2207 C C7  C A1BG5 F .   ? 0.5789 0.6447 0.2352 0.1214  0.1358  0.0632  204 A1BG5 B C7  
2208 C C7  D A1BG5 F .   ? 0.5789 0.6447 0.2351 0.1214  0.1358  0.0632  204 A1BG5 B C7  
2209 C C8  C A1BG5 F .   ? 0.5935 0.6748 0.2362 0.1487  0.1446  0.0795  204 A1BG5 B C8  
2210 C C8  D A1BG5 F .   ? 0.5935 0.6748 0.2362 0.1487  0.1446  0.0795  204 A1BG5 B C8  
2211 C C10 C A1BG5 F .   ? 0.6068 0.7108 0.2582 0.1652  0.1621  0.1017  204 A1BG5 B C10 
2212 C C10 D A1BG5 F .   ? 0.6068 0.7108 0.2582 0.1652  0.1621  0.1017  204 A1BG5 B C10 
2213 C C13 C A1BG5 F .   ? 0.5995 0.6525 0.2077 0.1600  0.1333  0.0663  204 A1BG5 B C13 
2214 C C13 D A1BG5 F .   ? 0.5995 0.6525 0.2077 0.1600  0.1333  0.0663  204 A1BG5 B C13 
2215 C C15 C A1BG5 F .   ? 0.5674 0.6222 0.2116 0.1010  0.1140  0.0374  204 A1BG5 B C15 
2216 C C15 D A1BG5 F .   ? 0.5674 0.6222 0.2116 0.1010  0.1140  0.0374  204 A1BG5 B C15 
2217 C C1  C A1BG5 F .   ? 0.5687 0.6072 0.1903 0.0868  0.0961  0.0167  204 A1BG5 B C1  
2218 C C1  D A1BG5 F .   ? 0.5687 0.6072 0.1903 0.0868  0.0961  0.0167  204 A1BG5 B C1  
2219 C C2  C A1BG5 F .   ? 0.5651 0.6121 0.2021 0.0889  0.1036  0.0242  204 A1BG5 B C2  
2220 C C2  D A1BG5 F .   ? 0.5651 0.6121 0.2021 0.0889  0.1036  0.0242  204 A1BG5 B C2  
2221 C C3  C A1BG5 F .   ? 0.5602 0.6131 0.2179 0.0808  0.1084  0.0265  204 A1BG5 B C3  
2222 C C3  D A1BG5 F .   ? 0.5602 0.6131 0.2179 0.0808  0.1084  0.0264  204 A1BG5 B C3  
2223 O O1  C A1BG5 F .   ? 0.5816 0.6408 0.2413 0.1210  0.1405  0.0661  204 A1BG5 B O1  
2224 O O1  D A1BG5 F .   ? 0.5816 0.6408 0.2413 0.1210  0.1405  0.0661  204 A1BG5 B O1  
2225 N N2  C A1BG5 F .   ? 0.5844 0.6596 0.2317 0.1344  0.1369  0.0687  204 A1BG5 B N2  
2226 N N2  D A1BG5 F .   ? 0.5844 0.6596 0.2317 0.1344  0.1369  0.0687  204 A1BG5 B N2  
2227 C C9  C A1BG5 F .   ? 0.5962 0.6950 0.2543 0.1503  0.1539  0.0908  204 A1BG5 B C9  
2228 C C9  D A1BG5 F .   ? 0.5962 0.6950 0.2543 0.1503  0.1539  0.0908  204 A1BG5 B C9  
2229 C C11 C A1BG5 F .   ? 0.6120 0.6882 0.2283 0.1773  0.1505  0.0892  204 A1BG5 B C11 
2230 C C11 D A1BG5 F .   ? 0.6120 0.6882 0.2283 0.1773  0.1505  0.0892  204 A1BG5 B C11 
2231 C C12 C A1BG5 F .   ? 0.6013 0.6715 0.2238 0.1619  0.1429  0.0786  204 A1BG5 B C12 
2232 C C12 D A1BG5 F .   ? 0.6013 0.6715 0.2238 0.1619  0.1429  0.0786  204 A1BG5 B C12 
2233 C C14 C A1BG5 F .   ? 0.5720 0.6301 0.2149 0.1120  0.1203  0.0460  204 A1BG5 B C14 
2234 C C14 D A1BG5 F .   ? 0.5720 0.6301 0.2149 0.1120  0.1203  0.0460  204 A1BG5 B C14 
2235 N N4  C A1BG5 F .   ? 0.5694 0.6174 0.1984 0.1014  0.1066  0.0305  204 A1BG5 B N4  
2236 N N4  D A1BG5 F .   ? 0.5694 0.6174 0.1984 0.1014  0.1066  0.0305  204 A1BG5 B N4  
2237 S S   C SO4   G .   ? 1.3876 1.3750 1.0656 0.0073  0.0968  -0.0567 205 SO4   B S   
2238 S S   D SO4   G .   ? 1.3876 1.3750 1.0656 0.0073  0.0968  -0.0567 205 SO4   B S   
2239 O O1  C SO4   G .   ? 1.3768 1.3659 1.0645 0.0097  0.0979  -0.0479 205 SO4   B O1  
2240 O O1  D SO4   G .   ? 1.3768 1.3659 1.0645 0.0097  0.0979  -0.0479 205 SO4   B O1  
2241 O O2  C SO4   G .   ? 1.4147 1.4024 1.0945 0.0027  0.0928  -0.0627 205 SO4   B O2  
2242 O O2  D SO4   G .   ? 1.4147 1.4024 1.0945 0.0027  0.0928  -0.0627 205 SO4   B O2  
2243 O O3  C SO4   G .   ? 1.3996 1.3840 1.0801 0.0090  0.0988  -0.0605 205 SO4   B O3  
2244 O O3  D SO4   G .   ? 1.3996 1.3840 1.0801 0.0090  0.0988  -0.0605 205 SO4   B O3  
2245 O O4  C SO4   G .   ? 1.3804 1.3683 1.0441 0.0086  0.0976  -0.0558 205 SO4   B O4  
2246 O O4  D SO4   G .   ? 1.3804 1.3683 1.0441 0.0086  0.0976  -0.0558 205 SO4   B O4  
2247 S S   C DMS   H .   ? 0.9466 1.0213 0.6456 0.1425  0.1983  0.1324  206 DMS   B S   
2248 S S   D DMS   H .   ? 0.9467 1.0213 0.6456 0.1425  0.1983  0.1324  206 DMS   B S   
2249 O O   C DMS   H .   ? 0.9312 1.0178 0.6279 0.1418  0.1895  0.1239  206 DMS   B O   
2250 O O   D DMS   H .   ? 0.9312 1.0177 0.6279 0.1417  0.1895  0.1239  206 DMS   B O   
2251 C C1  C DMS   H .   ? 0.9559 1.0463 0.6799 0.1378  0.2143  0.1505  206 DMS   B C1  
2252 C C1  D DMS   H .   ? 0.9560 1.0463 0.6799 0.1378  0.2143  0.1505  206 DMS   B C1  
2253 C C2  C DMS   H .   ? 0.9350 0.9970 0.6518 0.1215  0.1933  0.1230  206 DMS   B C2  
2254 C C2  D DMS   H .   ? 0.9350 0.9970 0.6518 0.1215  0.1933  0.1230  206 DMS   B C2  
2255 S S   C DMS   I .   ? 1.0124 0.8252 0.3802 0.2889  -0.0728 -0.1174 207 DMS   B S   
2256 S S   D DMS   I .   ? 1.0125 0.8253 0.3804 0.2889  -0.0728 -0.1174 207 DMS   B S   
2257 O O   C DMS   I .   ? 0.9977 0.8319 0.3647 0.2993  -0.0593 -0.1039 207 DMS   B O   
2258 O O   D DMS   I .   ? 0.9978 0.8320 0.3648 0.2993  -0.0593 -0.1039 207 DMS   B O   
2259 C C1  C DMS   I .   ? 0.9998 0.8191 0.3946 0.2720  -0.0747 -0.1291 207 DMS   B C1  
2260 C C1  D DMS   I .   ? 0.9999 0.8192 0.3946 0.2720  -0.0747 -0.1292 207 DMS   B C1  
2261 C C2  C DMS   I .   ? 1.0012 0.8061 0.3777 0.2612  -0.0637 -0.1097 207 DMS   B C2  
2262 C C2  D DMS   I .   ? 1.0014 0.8063 0.3779 0.2612  -0.0637 -0.1097 207 DMS   B C2  
2263 S S   C SO4   J .   ? 1.9466 1.8689 1.5042 0.2326  0.1475  0.0544  208 SO4   B S   
2264 S S   D SO4   J .   ? 1.9466 1.8689 1.5042 0.2326  0.1475  0.0544  208 SO4   B S   
2265 O O1  C SO4   J .   ? 1.9404 1.8693 1.4895 0.2412  0.1516  0.0642  208 SO4   B O1  
2266 O O1  D SO4   J .   ? 1.9404 1.8693 1.4895 0.2412  0.1516  0.0642  208 SO4   B O1  
2267 O O2  C SO4   J .   ? 1.9622 1.8706 1.5090 0.2460  0.1519  0.0606  208 SO4   B O2  
2268 O O2  D SO4   J .   ? 1.9622 1.8706 1.5090 0.2460  0.1519  0.0606  208 SO4   B O2  
2269 O O3  C SO4   J .   ? 1.9118 1.8405 1.4681 0.2328  0.1350  0.0362  208 SO4   B O3  
2270 O O3  D SO4   J .   ? 1.9118 1.8405 1.4681 0.2328  0.1350  0.0362  208 SO4   B O3  
2271 O O4  C SO4   J .   ? 1.9128 1.8360 1.4904 0.2114  0.1513  0.0566  208 SO4   B O4  
2272 O O4  D SO4   J .   ? 1.9128 1.8360 1.4904 0.2114  0.1513  0.0566  208 SO4   B O4  
# 
