data_7HOP
# 
_entry.id   7HOP 
# 
_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   7HOP         pdb_00007hop 10.2210/pdb7hop/pdb 
WWPDB D_1001407739 ?            ?                   
# 
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' 
# 
loop_
_database_PDB_caveat.id 
_database_PDB_caveat.text 
1 
;Residues ASN B 152 and GLY B 153 that are next to each other in the sample sequence are not properly linked: distance between C (A conformer) and N is 1.61.
;
2 
;Residues ASN B 152 and GLY B 153 that are next to each other in the sample sequence are not properly linked: distance between C (B conformer) and N is 1.61.
;
# 
_pdbx_database_status.entry_id                        7HOP 
_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 '5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide' 269.342   1   ? ?    ? ? 
5 non-polymer syn 'SULFATE ION'                                                                  96.063    2   ? ?    ? ? 
6 water       nat water                                                                          18.015    103 ? ?    ? ? 
# 
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 '5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide' A1BGY 
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 
A1BGY non-polymer         . '5-cyclopropyl-1,2-dimethyl-N-(3-methylpyridin-4-yl)-1H-pyrrole-3-carboxamide' ? 'C16 H19 N3 O'   
269.342 
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        A1BGY 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BGY 
_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  101 302 DMS   DMS A . 
D 3 DMS   1  201 201 DMS   DMS B . 
E 3 DMS   1  202 202 DMS   DMS B . 
F 3 DMS   1  203 203 DMS   DMS B . 
G 4 A1BGY 1  204 301 A1BGY LIG B . 
H 5 SO4   1  205 303 SO4   SO4 B . 
I 5 SO4   1  206 304 SO4   SO4 B . 
J 3 DMS   1  207 305 DMS   DMS B . 
K 6 HOH   1  201 105 HOH   HOH A . 
K 6 HOH   2  202 98  HOH   HOH A . 
K 6 HOH   3  203 89  HOH   HOH A . 
K 6 HOH   4  204 118 HOH   HOH A . 
K 6 HOH   5  205 121 HOH   HOH A . 
K 6 HOH   6  206 34  HOH   HOH A . 
K 6 HOH   7  207 133 HOH   HOH A . 
K 6 HOH   8  208 16  HOH   HOH A . 
K 6 HOH   9  209 65  HOH   HOH A . 
K 6 HOH   10 210 54  HOH   HOH A . 
K 6 HOH   11 211 28  HOH   HOH A . 
K 6 HOH   12 212 83  HOH   HOH A . 
K 6 HOH   13 213 40  HOH   HOH A . 
K 6 HOH   14 214 20  HOH   HOH A . 
K 6 HOH   15 215 49  HOH   HOH A . 
K 6 HOH   16 216 70  HOH   HOH A . 
K 6 HOH   17 217 110 HOH   HOH A . 
K 6 HOH   18 218 29  HOH   HOH A . 
K 6 HOH   19 219 120 HOH   HOH A . 
K 6 HOH   20 220 119 HOH   HOH A . 
K 6 HOH   21 221 50  HOH   HOH A . 
K 6 HOH   22 222 27  HOH   HOH A . 
K 6 HOH   23 223 77  HOH   HOH A . 
K 6 HOH   24 224 106 HOH   HOH A . 
K 6 HOH   25 225 136 HOH   HOH A . 
L 6 HOH   1  301 51  HOH   HOH B . 
L 6 HOH   2  302 1   HOH   HOH B . 
L 6 HOH   3  303 90  HOH   HOH B . 
L 6 HOH   4  304 11  HOH   HOH B . 
L 6 HOH   5  305 57  HOH   HOH B . 
L 6 HOH   6  306 5   HOH   HOH B . 
L 6 HOH   7  307 124 HOH   HOH B . 
L 6 HOH   8  308 24  HOH   HOH B . 
L 6 HOH   9  309 48  HOH   HOH B . 
L 6 HOH   10 310 14  HOH   HOH B . 
L 6 HOH   11 311 69  HOH   HOH B . 
L 6 HOH   12 312 67  HOH   HOH B . 
L 6 HOH   13 313 125 HOH   HOH B . 
L 6 HOH   14 314 117 HOH   HOH B . 
L 6 HOH   15 315 4   HOH   HOH B . 
L 6 HOH   16 316 42  HOH   HOH B . 
L 6 HOH   17 317 58  HOH   HOH B . 
L 6 HOH   18 318 109 HOH   HOH B . 
L 6 HOH   19 319 66  HOH   HOH B . 
L 6 HOH   20 320 9   HOH   HOH B . 
L 6 HOH   21 321 108 HOH   HOH B . 
L 6 HOH   22 322 100 HOH   HOH B . 
L 6 HOH   23 323 46  HOH   HOH B . 
L 6 HOH   24 324 56  HOH   HOH B . 
L 6 HOH   25 325 92  HOH   HOH B . 
L 6 HOH   26 326 81  HOH   HOH B . 
L 6 HOH   27 327 30  HOH   HOH B . 
L 6 HOH   28 328 115 HOH   HOH B . 
L 6 HOH   29 329 134 HOH   HOH B . 
L 6 HOH   30 330 79  HOH   HOH B . 
L 6 HOH   31 331 39  HOH   HOH B . 
L 6 HOH   32 332 102 HOH   HOH B . 
L 6 HOH   33 333 35  HOH   HOH B . 
L 6 HOH   34 334 127 HOH   HOH B . 
L 6 HOH   35 335 129 HOH   HOH B . 
L 6 HOH   36 336 23  HOH   HOH B . 
L 6 HOH   37 337 31  HOH   HOH B . 
L 6 HOH   38 338 2   HOH   HOH B . 
L 6 HOH   39 339 126 HOH   HOH B . 
L 6 HOH   40 340 116 HOH   HOH B . 
L 6 HOH   41 341 68  HOH   HOH B . 
L 6 HOH   42 342 63  HOH   HOH B . 
L 6 HOH   43 343 103 HOH   HOH B . 
L 6 HOH   44 344 132 HOH   HOH B . 
L 6 HOH   45 345 21  HOH   HOH B . 
L 6 HOH   46 346 80  HOH   HOH B . 
L 6 HOH   47 347 36  HOH   HOH B . 
L 6 HOH   48 348 32  HOH   HOH B . 
L 6 HOH   49 349 112 HOH   HOH B . 
L 6 HOH   50 350 12  HOH   HOH B . 
L 6 HOH   51 351 60  HOH   HOH B . 
L 6 HOH   52 352 139 HOH   HOH B . 
L 6 HOH   53 353 10  HOH   HOH B . 
L 6 HOH   54 354 107 HOH   HOH B . 
L 6 HOH   55 355 73  HOH   HOH B . 
L 6 HOH   56 356 135 HOH   HOH B . 
L 6 HOH   57 357 72  HOH   HOH B . 
L 6 HOH   58 358 3   HOH   HOH B . 
L 6 HOH   59 359 82  HOH   HOH B . 
L 6 HOH   60 360 18  HOH   HOH B . 
L 6 HOH   61 361 13  HOH   HOH B . 
L 6 HOH   62 362 62  HOH   HOH B . 
L 6 HOH   63 363 122 HOH   HOH B . 
L 6 HOH   64 364 137 HOH   HOH B . 
L 6 HOH   65 365 130 HOH   HOH B . 
L 6 HOH   66 366 85  HOH   HOH B . 
L 6 HOH   67 367 43  HOH   HOH B . 
L 6 HOH   68 368 17  HOH   HOH B . 
L 6 HOH   69 369 64  HOH   HOH B . 
L 6 HOH   70 370 75  HOH   HOH B . 
L 6 HOH   71 371 128 HOH   HOH B . 
L 6 HOH   72 372 45  HOH   HOH B . 
L 6 HOH   73 373 26  HOH   HOH B . 
L 6 HOH   74 374 94  HOH   HOH B . 
L 6 HOH   75 375 61  HOH   HOH B . 
L 6 HOH   76 376 87  HOH   HOH B . 
L 6 HOH   77 377 59  HOH   HOH B . 
L 6 HOH   78 378 44  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           7HOP 
_cell.length_a           42.469 
_cell.length_b           42.469 
_cell.length_c           216.433 
_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                         7HOP 
_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          7HOP 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      2.10 
_exptl_crystal.density_percent_sol   41.56 
_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   2023-09-19 
_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                     7HOP 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.d_resolution_low             216.42 
_reflns.d_resolution_high            1.50 
_reflns.number_obs                   33237 
_reflns.percent_possible_obs         100.0 
_reflns.pdbx_Rmerge_I_obs            0.123 
_reflns.pdbx_netI_over_sigmaI        8.9 
_reflns.pdbx_redundancy              24.7 
_reflns.pdbx_Rrim_I_all              0.125 
_reflns.pdbx_Rpim_I_all              0.025 
_reflns.pdbx_CC_half                 0.997 
_reflns.pdbx_number_measured_all     822152 
_reflns.pdbx_chi_squared             0.27 
_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                  1.50 
_reflns_shell.d_res_low                   1.53 
_reflns_shell.number_measured_all         31431 
_reflns_shell.number_unique_obs           1595 
_reflns_shell.Rmerge_I_obs                5.924 
_reflns_shell.pdbx_chi_squared            0.06 
_reflns_shell.pdbx_redundancy             19.7 
_reflns_shell.percent_possible_obs        99.5 
_reflns_shell.pdbx_netI_over_sigmaI_obs   0.2 
_reflns_shell.pdbx_Rrim_I_all             6.084 
_reflns_shell.pdbx_Rpim_I_all             1.357 
_reflns_shell.pdbx_CC_half                0.269 
_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                                 7HOP 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.ls_number_reflns_obs                     29004 
_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                             54.11 
_refine.ls_d_res_high                            1.50 
_refine.ls_percent_reflns_obs                    92.24 
_refine.ls_R_factor_obs                          0.25882 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_work                       0.25769 
_refine.ls_R_factor_R_free                       0.28020 
_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                  1549 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.occupancy_min                            ? 
_refine.occupancy_max                            ? 
_refine.correlation_coeff_Fo_to_Fc               0.951 
_refine.correlation_coeff_Fo_to_Fc_free          0.943 
_refine.B_iso_mean                               41.856 
_refine.aniso_B[1][1]                            -0.41 
_refine.aniso_B[2][2]                            -0.41 
_refine.aniso_B[3][3]                            0.81 
_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                       0.166 
_refine.pdbx_overall_ESU_R_Free                  0.139 
_refine.overall_SU_ML                            0.271 
_refine.pdbx_overall_phase_error                 ? 
_refine.overall_SU_B                             17.435 
_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             103 
_refine_hist.number_atoms_total               1629 
_refine_hist.d_res_high                       1.50 
_refine_hist.d_res_low                        54.11 
# 
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             0.025  0.015  ? 4256 'X-RAY DIFFRACTION' ? 
r_bond_other_d               0.016  0.015  ? 2568 'X-RAY DIFFRACTION' ? 
r_angle_refined_deg          2.189  1.640  ? 4042 'X-RAY DIFFRACTION' ? 
r_angle_other_deg            1.528  1.580  ? 5973 'X-RAY DIFFRACTION' ? 
r_dihedral_angle_1_deg       8.399  5.000  ? 413  'X-RAY DIFFRACTION' ? 
r_dihedral_angle_2_deg       28.855 23.689 ? 122  'X-RAY DIFFRACTION' ? 
r_dihedral_angle_3_deg       15.399 15.000 ? 399  'X-RAY DIFFRACTION' ? 
r_dihedral_angle_4_deg       19.689 15.000 ? 10   'X-RAY DIFFRACTION' ? 
r_chiral_restr               0.092  0.200  ? 352  'X-RAY DIFFRACTION' ? 
r_gen_planes_refined         0.015  0.020  ? 3636 'X-RAY DIFFRACTION' ? 
r_gen_planes_other           0.008  0.020  ? 659  '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                  0.668  1.293  ? 2175 'X-RAY DIFFRACTION' ? 
r_mcbond_other               0.675  1.167  ? 2105 'X-RAY DIFFRACTION' ? 
r_mcangle_it                 1.467  1.822  ? 1941 'X-RAY DIFFRACTION' ? 
r_mcangle_other              1.468  1.824  ? 1942 'X-RAY DIFFRACTION' ? 
r_scbond_it                  0.691  1.541  ? 2081 'X-RAY DIFFRACTION' ? 
r_scbond_other               0.691  1.543  ? 2082 'X-RAY DIFFRACTION' ? 
r_scangle_it                 ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_scangle_other              1.404  2.176  ? 2093 'X-RAY DIFFRACTION' ? 
r_long_range_B_refined       8.467  15.539 ? 3297 'X-RAY DIFFRACTION' ? 
r_long_range_B_other         8.451  15.126 ? 3272 '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                       1.500 
_refine_ls_shell.d_res_low                        1.539 
_refine_ls_shell.number_reflns_R_work             326 
_refine_ls_shell.R_factor_R_work                  0.523 
_refine_ls_shell.percent_reflns_obs               14.38 
_refine_ls_shell.R_factor_R_free                  0.409 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             17 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.R_factor_all                     ? 
# 
_struct.entry_id                  7HOP 
_struct.title                     
'PanDDA analysis group deposition -- Crystal Structure of ZIKV NS2B-NS3 protease in complex with ASAP-0014657-001' 
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HOP 
_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 3 ? 
G N N 4 ? 
H N N 5 ? 
I N N 5 ? 
J N N 3 ? 
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 7HOP A 3 ? 46  ? Q32ZE1 1414 ? 1457 ? 46 89  
2 2 7HOP 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 7HOP SER A 1  ? UNP Q32ZE1 ?   ?    'expression tag'        44  1 
1 7HOP MET A 2  ? UNP Q32ZE1 ?   ?    'expression tag'        45  2 
2 7HOP MET B 1  ? UNP Q32ZE1 ?   ?    'initiating methionine' 10  3 
2 7HOP 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)' 5360 ? 
1 MORE         -45  ? 
1 'SSA (A^2)'  9850 ? 
# 
_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 TRP B 41  ? LYS B 45  ? TRP B 50  LYS B 54  1 ? 5 
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               2.925 
_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  ? MET B 40  ? VAL B 45  MET B 49  
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  SER B 128 ? LEU B 131 ? SER B 137 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 MET A 8   ? N MET A 51  
AA1 3 4  N ALA A 13  ? N ALA A 56  O VAL B 13  ? O VAL B 22  
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 THR B 39  ? N THR B 48  O VAL B 68  ? O VAL B 77  
AA1 7 8  O SER B 69  ? O SER B 78  N TYR B 59  ? N TYR B 68  
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 GLN B 87  ? N GLN B 96  O LEU B 131 ? O LEU B 140 
AA2 4 5  N ILE B 130 ? N ILE B 139 O GLY B 139 ? O GLY B 148 
AA2 5 6  N ASN B 143 ? N ASN B 152 O ALA B 155 ? O ALA B 164 
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                   7HOP 
_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 C  A ALA 65  ? ? O   A ALA 65  ? ? 1.572 1.229 0.343  0.019 N 
2  1 CD A GLU 66  ? ? OE1 A GLU 66  ? ? 1.382 1.252 0.130  0.011 N 
3  1 CD A GLU 66  ? ? OE2 A GLU 66  ? ? 1.338 1.252 0.086  0.011 N 
4  1 CB A SER 71  ? ? OG  A SER 71  ? ? 1.544 1.418 0.126  0.013 N 
5  1 CD B GLU 17  ? ? OE1 B GLU 17  ? ? 1.331 1.252 0.079  0.011 N 
6  1 C  B TYR 23  ? A O   B TYR 23  ? A 1.357 1.229 0.128  0.019 N 
7  1 C  B TYR 23  ? B O   B TYR 23  ? B 1.357 1.229 0.128  0.019 N 
8  1 C  B GLY 39  ? ? O   B GLY 39  ? ? 1.359 1.232 0.127  0.016 N 
9  1 C  B GLY 81  ? A O   B GLY 81  ? A 1.421 1.232 0.189  0.016 N 
10 1 C  B GLY 81  ? B O   B GLY 81  ? B 1.421 1.232 0.189  0.016 N 
11 1 CB B SER 93  ? ? OG  B SER 93  ? ? 1.508 1.418 0.090  0.013 N 
12 1 C  B GLU 94  ? A O   B GLU 94  ? A 1.348 1.229 0.119  0.019 N 
13 1 C  B GLU 94  ? C O   B GLU 94  ? C 1.358 1.229 0.129  0.019 N 
14 1 C  B GLU 94  ? D O   B GLU 94  ? D 1.358 1.229 0.129  0.019 N 
15 1 C  B GLU 94  ? E O   B GLU 94  ? E 1.358 1.229 0.129  0.019 N 
16 1 C  B GLN 96  ? A O   B GLN 96  ? A 1.353 1.229 0.124  0.019 N 
17 1 C  B GLN 96  ? B O   B GLN 96  ? B 1.354 1.229 0.125  0.019 N 
18 1 C  B LEU 98  ? ? O   B LEU 98  ? ? 1.362 1.229 0.133  0.019 N 
19 1 C  B ALA 99  ? ? O   B ALA 99  ? ? 1.387 1.229 0.158  0.019 N 
20 1 C  B GLU 104 ? ? O   B GLU 104 ? ? 1.356 1.229 0.127  0.019 N 
21 1 C  B ASN 108 ? ? O   B ASN 108 ? ? 1.353 1.229 0.124  0.019 N 
22 1 C  B PHE 116 ? ? O   B PHE 116 ? ? 1.365 1.229 0.136  0.019 N 
23 1 C  B PHE 116 ? ? N   B LYS 117 ? ? 1.481 1.336 0.145  0.023 Y 
24 1 C  B LYS 117 ? ? O   B LYS 117 ? ? 1.363 1.229 0.134  0.019 N 
25 1 C  B GLY 133 ? A O   B GLY 133 ? A 1.348 1.232 0.116  0.016 N 
26 1 C  B GLY 133 ? B O   B GLY 133 ? B 1.346 1.232 0.114  0.016 N 
27 1 C  B THR 134 ? B O   B THR 134 ? B 1.104 1.229 -0.125 0.019 N 
28 1 CD B PRO 138 ? ? N   B PRO 138 ? ? 1.629 1.474 0.155  0.014 N 
29 1 C  B LEU 140 ? ? O   B LEU 140 ? ? 1.417 1.229 0.188  0.019 N 
30 1 C  B GLY 148 ? ? O   B GLY 148 ? ? 1.465 1.232 0.233  0.016 N 
31 1 C  B GLY 151 ? A O   B GLY 151 ? A 1.382 1.232 0.150  0.016 N 
32 1 C  B GLY 151 ? B O   B GLY 151 ? B 1.379 1.232 0.147  0.016 N 
33 1 C  B GLY 151 ? C O   B GLY 151 ? C 1.357 1.232 0.125  0.016 N 
34 1 C  B GLY 151 ? D O   B GLY 151 ? D 1.356 1.232 0.124  0.016 N 
35 1 C  B GLY 151 ? E O   B GLY 151 ? E 1.357 1.232 0.125  0.016 N 
36 1 C  B ASN 152 ? A N   B GLY 153 ? ? 1.609 1.336 0.273  0.023 Y 
37 1 C  B ASN 152 ? B N   B GLY 153 ? ? 1.615 1.336 0.279  0.023 Y 
38 1 C  B ASN 152 ? C N   B GLY 153 ? ? 1.591 1.336 0.255  0.023 Y 
39 1 C  B ASN 152 ? D N   B GLY 153 ? ? 1.591 1.336 0.255  0.023 Y 
40 1 C  B ASN 152 ? E N   B GLY 153 ? ? 1.591 1.336 0.255  0.023 Y 
41 1 C  B ILE 156 ? ? O   B ILE 156 ? ? 1.402 1.229 0.173  0.019 N 
42 1 C  B ALA 164 ? C O   B ALA 164 ? C 1.345 1.229 0.116  0.019 N 
43 1 C  B ALA 164 ? D O   B ALA 164 ? D 1.345 1.229 0.116  0.019 N 
44 1 C  B ALA 164 ? E O   B ALA 164 ? E 1.345 1.229 0.116  0.019 N 
45 1 C  B ALA 164 ? C N   B ILE 165 ? C 1.496 1.336 0.160  0.023 Y 
46 1 C  B ALA 164 ? D N   B ILE 165 ? D 1.492 1.336 0.156  0.023 Y 
47 1 C  B ALA 164 ? E N   B ILE 165 ? E 1.496 1.336 0.160  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 B ASP 90  ? ? CG B ASP 90  ? ? OD2 B ASP 90  ? ? 111.92 118.30 -6.38  0.90 N 
2  1 CB B ASP 141 ? ? CG B ASP 141 ? ? OD2 B ASP 141 ? ? 112.83 118.30 -5.47  0.90 N 
3  1 O  B ASP 141 ? ? C  B ASP 141 ? ? N   B LYS 142 ? ? 133.36 122.70 10.66  1.60 Y 
4  1 O  B GLY 151 ? C C  B GLY 151 ? C N   B ASN 152 ? C 132.42 122.70 9.72   1.60 Y 
5  1 O  B GLY 151 ? D C  B GLY 151 ? D N   B ASN 152 ? D 132.43 122.70 9.73   1.60 Y 
6  1 O  B GLY 151 ? E C  B GLY 151 ? E N   B ASN 152 ? E 132.42 122.70 9.72   1.60 Y 
7  1 CA B ASN 152 ? A C  B ASN 152 ? A N   B GLY 153 ? ? 100.23 116.20 -15.97 2.00 Y 
8  1 CA B ASN 152 ? B C  B ASN 152 ? B N   B GLY 153 ? ? 99.87  116.20 -16.33 2.00 Y 
9  1 CA B ASN 152 ? C C  B ASN 152 ? C N   B GLY 153 ? ? 102.77 116.20 -13.43 2.00 Y 
10 1 CA B ASN 152 ? D C  B ASN 152 ? D N   B GLY 153 ? ? 102.75 116.20 -13.45 2.00 Y 
11 1 CA B ASN 152 ? E C  B ASN 152 ? E N   B GLY 153 ? ? 102.77 116.20 -13.43 2.00 Y 
12 1 O  B ASN 152 ? A C  B ASN 152 ? A N   B GLY 153 ? ? 135.36 123.20 12.16  1.70 Y 
13 1 O  B ASN 152 ? B C  B ASN 152 ? B N   B GLY 153 ? ? 135.64 123.20 12.44  1.70 Y 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1  1 ASP B 20  ? A -46.81  152.22 
2  1 ASP B 20  ? B -46.81  152.22 
3  1 ASP B 20  ? C -46.98  153.42 
4  1 ASP B 20  ? D -46.98  153.42 
5  1 ASP B 20  ? E -46.98  153.42 
6  1 CYS B 80  ? A 84.60   -27.93 
7  1 CYS B 80  ? B 84.60   -27.93 
8  1 LEU B 92  ? ? -130.18 -53.48 
9  1 ALA B 127 ? A -113.84 71.49  
10 1 SER B 135 ? A -38.72  133.87 
11 1 SER B 135 ? B -38.49  133.35 
# 
loop_
_pdbx_validate_main_chain_plane.id 
_pdbx_validate_main_chain_plane.PDB_model_num 
_pdbx_validate_main_chain_plane.auth_comp_id 
_pdbx_validate_main_chain_plane.auth_asym_id 
_pdbx_validate_main_chain_plane.auth_seq_id 
_pdbx_validate_main_chain_plane.PDB_ins_code 
_pdbx_validate_main_chain_plane.label_alt_id 
_pdbx_validate_main_chain_plane.improper_torsion_angle 
1 1 ALA A 56  ? ? -12.07 
2 1 GLN B 110 ? ? 10.26  
3 1 LEU B 140 ? ? -11.12 
4 1 ILE B 156 ? ? 15.28  
# 
loop_
_pdbx_validate_polymer_linkage.id 
_pdbx_validate_polymer_linkage.PDB_model_num 
_pdbx_validate_polymer_linkage.auth_atom_id_1 
_pdbx_validate_polymer_linkage.auth_asym_id_1 
_pdbx_validate_polymer_linkage.auth_comp_id_1 
_pdbx_validate_polymer_linkage.auth_seq_id_1 
_pdbx_validate_polymer_linkage.PDB_ins_code_1 
_pdbx_validate_polymer_linkage.label_alt_id_1 
_pdbx_validate_polymer_linkage.auth_atom_id_2 
_pdbx_validate_polymer_linkage.auth_asym_id_2 
_pdbx_validate_polymer_linkage.auth_comp_id_2 
_pdbx_validate_polymer_linkage.auth_seq_id_2 
_pdbx_validate_polymer_linkage.PDB_ins_code_2 
_pdbx_validate_polymer_linkage.label_alt_id_2 
_pdbx_validate_polymer_linkage.dist 
1 1 C B ASN 152 ? A N B GLY 153 ? ? 1.61 
2 1 C B ASN 152 ? B N B GLY 153 ? ? 1.61 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    B 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     378 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   L 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
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 -13.2063 -1.7650 -19.0848 0.4846 0.3936 0.1782 0.2917 0.1566 0.1045  1.9302 1.7283 1.3450 -0.6934 
-0.5182 0.3366  0.5922 0.2626 0.5395 -0.3776 -0.4366 -0.3803 0.0519 0.2771 -0.1556 
'X-RAY DIFFRACTION' 2 ? refined -18.7996 1.1072  -15.6606 0.3949 0.4053 0.1494 0.1322 0.0553 -0.0232 0.9013 0.4966 1.0387 -0.6047 
0.2400  -0.0473 0.2944 0.2139 0.1084 -0.1602 -0.2686 0.0004  0.1615 0.1010 -0.0258 
# 
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 
A1BGY N1   N Y N 1   
A1BGY N3   N Y N 2   
A1BGY C4   C Y N 3   
A1BGY C5   C Y N 4   
A1BGY C6   C Y N 5   
A1BGY C7   C N N 6   
A1BGY C8   C Y N 7   
A1BGY C10  C Y N 8   
A1BGY C13  C N N 9   
A1BGY C15  C Y N 10  
A1BGY C1   C N N 11  
A1BGY C2   C Y N 12  
A1BGY C3   C Y N 13  
A1BGY N2   N N N 14  
A1BGY O1   O N N 15  
A1BGY C9   C Y N 16  
A1BGY C11  C N N 17  
A1BGY C12  C N N 18  
A1BGY C14  C N N 19  
A1BGY C16  C N N 20  
A1BGY H5   H N N 21  
A1BGY H6   H N N 22  
A1BGY H13  H N N 23  
A1BGY H12  H N N 24  
A1BGY H1   H N N 25  
A1BGY H3   H N N 26  
A1BGY H2   H N N 27  
A1BGY H4   H N N 28  
A1BGY H7   H N N 29  
A1BGY H8   H N N 30  
A1BGY H9   H N N 31  
A1BGY H11  H N N 32  
A1BGY H10  H N N 33  
A1BGY H16  H N N 34  
A1BGY H14  H N N 35  
A1BGY H15  H N N 36  
A1BGY H19  H N N 37  
A1BGY H17  H N N 38  
A1BGY H18  H N N 39  
ALA   N    N N N 40  
ALA   CA   C N S 41  
ALA   C    C N N 42  
ALA   O    O N N 43  
ALA   CB   C N N 44  
ALA   OXT  O N N 45  
ALA   H    H N N 46  
ALA   H2   H N N 47  
ALA   HA   H N N 48  
ALA   HB1  H N N 49  
ALA   HB2  H N N 50  
ALA   HB3  H N N 51  
ALA   HXT  H N N 52  
ARG   N    N N N 53  
ARG   CA   C N S 54  
ARG   C    C N N 55  
ARG   O    O N N 56  
ARG   CB   C N N 57  
ARG   CG   C N N 58  
ARG   CD   C N N 59  
ARG   NE   N N N 60  
ARG   CZ   C N N 61  
ARG   NH1  N N N 62  
ARG   NH2  N N N 63  
ARG   OXT  O N N 64  
ARG   H    H N N 65  
ARG   H2   H N N 66  
ARG   HA   H N N 67  
ARG   HB2  H N N 68  
ARG   HB3  H N N 69  
ARG   HG2  H N N 70  
ARG   HG3  H N N 71  
ARG   HD2  H N N 72  
ARG   HD3  H N N 73  
ARG   HE   H N N 74  
ARG   HH11 H N N 75  
ARG   HH12 H N N 76  
ARG   HH21 H N N 77  
ARG   HH22 H N N 78  
ARG   HXT  H N N 79  
ASN   N    N N N 80  
ASN   CA   C N S 81  
ASN   C    C N N 82  
ASN   O    O N N 83  
ASN   CB   C N N 84  
ASN   CG   C N N 85  
ASN   OD1  O N N 86  
ASN   ND2  N N N 87  
ASN   OXT  O N N 88  
ASN   H    H N N 89  
ASN   H2   H N N 90  
ASN   HA   H N N 91  
ASN   HB2  H N N 92  
ASN   HB3  H N N 93  
ASN   HD21 H N N 94  
ASN   HD22 H N N 95  
ASN   HXT  H N N 96  
ASP   N    N N N 97  
ASP   CA   C N S 98  
ASP   C    C N N 99  
ASP   O    O N N 100 
ASP   CB   C N N 101 
ASP   CG   C N N 102 
ASP   OD1  O N N 103 
ASP   OD2  O N N 104 
ASP   OXT  O N N 105 
ASP   H    H N N 106 
ASP   H2   H N N 107 
ASP   HA   H N N 108 
ASP   HB2  H N N 109 
ASP   HB3  H N N 110 
ASP   HD2  H N N 111 
ASP   HXT  H N N 112 
CYS   N    N N N 113 
CYS   CA   C N R 114 
CYS   C    C N N 115 
CYS   O    O N N 116 
CYS   CB   C N N 117 
CYS   SG   S N N 118 
CYS   OXT  O N N 119 
CYS   H    H N N 120 
CYS   H2   H N N 121 
CYS   HA   H N N 122 
CYS   HB2  H N N 123 
CYS   HB3  H N N 124 
CYS   HG   H N N 125 
CYS   HXT  H N N 126 
DMS   S    S N N 127 
DMS   O    O N N 128 
DMS   C1   C N N 129 
DMS   C2   C N N 130 
DMS   H11  H N N 131 
DMS   H12  H N N 132 
DMS   H13  H N N 133 
DMS   H21  H N N 134 
DMS   H22  H N N 135 
DMS   H23  H N N 136 
GLN   N    N N N 137 
GLN   CA   C N S 138 
GLN   C    C N N 139 
GLN   O    O N N 140 
GLN   CB   C N N 141 
GLN   CG   C N N 142 
GLN   CD   C N N 143 
GLN   OE1  O N N 144 
GLN   NE2  N N N 145 
GLN   OXT  O N N 146 
GLN   H    H N N 147 
GLN   H2   H N N 148 
GLN   HA   H N N 149 
GLN   HB2  H N N 150 
GLN   HB3  H N N 151 
GLN   HG2  H N N 152 
GLN   HG3  H N N 153 
GLN   HE21 H N N 154 
GLN   HE22 H N N 155 
GLN   HXT  H N N 156 
GLU   N    N N N 157 
GLU   CA   C N S 158 
GLU   C    C N N 159 
GLU   O    O N N 160 
GLU   CB   C N N 161 
GLU   CG   C N N 162 
GLU   CD   C N N 163 
GLU   OE1  O N N 164 
GLU   OE2  O N N 165 
GLU   OXT  O N N 166 
GLU   H    H N N 167 
GLU   H2   H N N 168 
GLU   HA   H N N 169 
GLU   HB2  H N N 170 
GLU   HB3  H N N 171 
GLU   HG2  H N N 172 
GLU   HG3  H N N 173 
GLU   HE2  H N N 174 
GLU   HXT  H N N 175 
GLY   N    N N N 176 
GLY   CA   C N N 177 
GLY   C    C N N 178 
GLY   O    O N N 179 
GLY   OXT  O N N 180 
GLY   H    H N N 181 
GLY   H2   H N N 182 
GLY   HA2  H N N 183 
GLY   HA3  H N N 184 
GLY   HXT  H N N 185 
HIS   N    N N N 186 
HIS   CA   C N S 187 
HIS   C    C N N 188 
HIS   O    O N N 189 
HIS   CB   C N N 190 
HIS   CG   C Y N 191 
HIS   ND1  N Y N 192 
HIS   CD2  C Y N 193 
HIS   CE1  C Y N 194 
HIS   NE2  N Y N 195 
HIS   OXT  O N N 196 
HIS   H    H N N 197 
HIS   H2   H N N 198 
HIS   HA   H N N 199 
HIS   HB2  H N N 200 
HIS   HB3  H N N 201 
HIS   HD1  H N N 202 
HIS   HD2  H N N 203 
HIS   HE1  H N N 204 
HIS   HE2  H N N 205 
HIS   HXT  H N N 206 
HOH   O    O N N 207 
HOH   H1   H N N 208 
HOH   H2   H N N 209 
ILE   N    N N N 210 
ILE   CA   C N S 211 
ILE   C    C N N 212 
ILE   O    O N N 213 
ILE   CB   C N S 214 
ILE   CG1  C N N 215 
ILE   CG2  C N N 216 
ILE   CD1  C N N 217 
ILE   OXT  O N N 218 
ILE   H    H N N 219 
ILE   H2   H N N 220 
ILE   HA   H N N 221 
ILE   HB   H N N 222 
ILE   HG12 H N N 223 
ILE   HG13 H N N 224 
ILE   HG21 H N N 225 
ILE   HG22 H N N 226 
ILE   HG23 H N N 227 
ILE   HD11 H N N 228 
ILE   HD12 H N N 229 
ILE   HD13 H N N 230 
ILE   HXT  H N N 231 
LEU   N    N N N 232 
LEU   CA   C N S 233 
LEU   C    C N N 234 
LEU   O    O N N 235 
LEU   CB   C N N 236 
LEU   CG   C N N 237 
LEU   CD1  C N N 238 
LEU   CD2  C N N 239 
LEU   OXT  O N N 240 
LEU   H    H N N 241 
LEU   H2   H N N 242 
LEU   HA   H N N 243 
LEU   HB2  H N N 244 
LEU   HB3  H N N 245 
LEU   HG   H N N 246 
LEU   HD11 H N N 247 
LEU   HD12 H N N 248 
LEU   HD13 H N N 249 
LEU   HD21 H N N 250 
LEU   HD22 H N N 251 
LEU   HD23 H N N 252 
LEU   HXT  H N N 253 
LYS   N    N N N 254 
LYS   CA   C N S 255 
LYS   C    C N N 256 
LYS   O    O N N 257 
LYS   CB   C N N 258 
LYS   CG   C N N 259 
LYS   CD   C N N 260 
LYS   CE   C N N 261 
LYS   NZ   N N N 262 
LYS   OXT  O N N 263 
LYS   H    H N N 264 
LYS   H2   H N N 265 
LYS   HA   H N N 266 
LYS   HB2  H N N 267 
LYS   HB3  H N N 268 
LYS   HG2  H N N 269 
LYS   HG3  H N N 270 
LYS   HD2  H N N 271 
LYS   HD3  H N N 272 
LYS   HE2  H N N 273 
LYS   HE3  H N N 274 
LYS   HZ1  H N N 275 
LYS   HZ2  H N N 276 
LYS   HZ3  H N N 277 
LYS   HXT  H N N 278 
MET   N    N N N 279 
MET   CA   C N S 280 
MET   C    C N N 281 
MET   O    O N N 282 
MET   CB   C N N 283 
MET   CG   C N N 284 
MET   SD   S N N 285 
MET   CE   C N N 286 
MET   OXT  O N N 287 
MET   H    H N N 288 
MET   H2   H N N 289 
MET   HA   H N N 290 
MET   HB2  H N N 291 
MET   HB3  H N N 292 
MET   HG2  H N N 293 
MET   HG3  H N N 294 
MET   HE1  H N N 295 
MET   HE2  H N N 296 
MET   HE3  H N N 297 
MET   HXT  H N N 298 
PHE   N    N N N 299 
PHE   CA   C N S 300 
PHE   C    C N N 301 
PHE   O    O N N 302 
PHE   CB   C N N 303 
PHE   CG   C Y N 304 
PHE   CD1  C Y N 305 
PHE   CD2  C Y N 306 
PHE   CE1  C Y N 307 
PHE   CE2  C Y N 308 
PHE   CZ   C Y N 309 
PHE   OXT  O N N 310 
PHE   H    H N N 311 
PHE   H2   H N N 312 
PHE   HA   H N N 313 
PHE   HB2  H N N 314 
PHE   HB3  H N N 315 
PHE   HD1  H N N 316 
PHE   HD2  H N N 317 
PHE   HE1  H N N 318 
PHE   HE2  H N N 319 
PHE   HZ   H N N 320 
PHE   HXT  H N N 321 
PRO   N    N N N 322 
PRO   CA   C N S 323 
PRO   C    C N N 324 
PRO   O    O N N 325 
PRO   CB   C N N 326 
PRO   CG   C N N 327 
PRO   CD   C N N 328 
PRO   OXT  O N N 329 
PRO   H    H N N 330 
PRO   HA   H N N 331 
PRO   HB2  H N N 332 
PRO   HB3  H N N 333 
PRO   HG2  H N N 334 
PRO   HG3  H N N 335 
PRO   HD2  H N N 336 
PRO   HD3  H N N 337 
PRO   HXT  H N N 338 
SER   N    N N N 339 
SER   CA   C N S 340 
SER   C    C N N 341 
SER   O    O N N 342 
SER   CB   C N N 343 
SER   OG   O N N 344 
SER   OXT  O N N 345 
SER   H    H N N 346 
SER   H2   H N N 347 
SER   HA   H N N 348 
SER   HB2  H N N 349 
SER   HB3  H N N 350 
SER   HG   H N N 351 
SER   HXT  H N N 352 
SO4   S    S N N 353 
SO4   O1   O N N 354 
SO4   O2   O N N 355 
SO4   O3   O N N 356 
SO4   O4   O N N 357 
THR   N    N N N 358 
THR   CA   C N S 359 
THR   C    C N N 360 
THR   O    O N N 361 
THR   CB   C N R 362 
THR   OG1  O N N 363 
THR   CG2  C N N 364 
THR   OXT  O N N 365 
THR   H    H N N 366 
THR   H2   H N N 367 
THR   HA   H N N 368 
THR   HB   H N N 369 
THR   HG1  H N N 370 
THR   HG21 H N N 371 
THR   HG22 H N N 372 
THR   HG23 H N N 373 
THR   HXT  H N N 374 
TRP   N    N N N 375 
TRP   CA   C N S 376 
TRP   C    C N N 377 
TRP   O    O N N 378 
TRP   CB   C N N 379 
TRP   CG   C Y N 380 
TRP   CD1  C Y N 381 
TRP   CD2  C Y N 382 
TRP   NE1  N Y N 383 
TRP   CE2  C Y N 384 
TRP   CE3  C Y N 385 
TRP   CZ2  C Y N 386 
TRP   CZ3  C Y N 387 
TRP   CH2  C Y N 388 
TRP   OXT  O N N 389 
TRP   H    H N N 390 
TRP   H2   H N N 391 
TRP   HA   H N N 392 
TRP   HB2  H N N 393 
TRP   HB3  H N N 394 
TRP   HD1  H N N 395 
TRP   HE1  H N N 396 
TRP   HE3  H N N 397 
TRP   HZ2  H N N 398 
TRP   HZ3  H N N 399 
TRP   HH2  H N N 400 
TRP   HXT  H N N 401 
TYR   N    N N N 402 
TYR   CA   C N S 403 
TYR   C    C N N 404 
TYR   O    O N N 405 
TYR   CB   C N N 406 
TYR   CG   C Y N 407 
TYR   CD1  C Y N 408 
TYR   CD2  C Y N 409 
TYR   CE1  C Y N 410 
TYR   CE2  C Y N 411 
TYR   CZ   C Y N 412 
TYR   OH   O N N 413 
TYR   OXT  O N N 414 
TYR   H    H N N 415 
TYR   H2   H N N 416 
TYR   HA   H N N 417 
TYR   HB2  H N N 418 
TYR   HB3  H N N 419 
TYR   HD1  H N N 420 
TYR   HD2  H N N 421 
TYR   HE1  H N N 422 
TYR   HE2  H N N 423 
TYR   HH   H N N 424 
TYR   HXT  H N N 425 
VAL   N    N N N 426 
VAL   CA   C N S 427 
VAL   C    C N N 428 
VAL   O    O N N 429 
VAL   CB   C N N 430 
VAL   CG1  C N N 431 
VAL   CG2  C N N 432 
VAL   OXT  O N N 433 
VAL   H    H N N 434 
VAL   H2   H N N 435 
VAL   HA   H N N 436 
VAL   HB   H N N 437 
VAL   HG11 H N N 438 
VAL   HG12 H N N 439 
VAL   HG13 H N N 440 
VAL   HG21 H N N 441 
VAL   HG22 H N N 442 
VAL   HG23 H N N 443 
VAL   HXT  H N N 444 
# 
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 
A1BGY C1  C2   sing N N 1   
A1BGY C2  C3   doub Y N 2   
A1BGY C3  N1   sing Y N 3   
A1BGY N1  C4   doub Y N 4   
A1BGY C4  C5   sing Y N 5   
A1BGY C5  C6   doub Y N 6   
A1BGY C6  N2   sing N N 7   
A1BGY N2  C7   sing N N 8   
A1BGY C7  O1   doub N N 9   
A1BGY C7  C8   sing N N 10  
A1BGY C8  C9   sing Y N 11  
A1BGY C9  C10  doub Y N 12  
A1BGY C10 C11  sing N N 13  
A1BGY C11 C12  sing N N 14  
A1BGY C12 C13  sing N N 15  
A1BGY C10 N3   sing Y N 16  
A1BGY N3  C14  sing N N 17  
A1BGY N3  C15  sing Y N 18  
A1BGY C15 C16  sing N N 19  
A1BGY C2  C6   sing Y N 20  
A1BGY C8  C15  doub Y N 21  
A1BGY C11 C13  sing N N 22  
A1BGY C4  H5   sing N N 23  
A1BGY C5  H6   sing N N 24  
A1BGY C13 H13  sing N N 25  
A1BGY C13 H12  sing N N 26  
A1BGY C1  H1   sing N N 27  
A1BGY C1  H3   sing N N 28  
A1BGY C1  H2   sing N N 29  
A1BGY C3  H4   sing N N 30  
A1BGY N2  H7   sing N N 31  
A1BGY C9  H8   sing N N 32  
A1BGY C11 H9   sing N N 33  
A1BGY C12 H11  sing N N 34  
A1BGY C12 H10  sing N N 35  
A1BGY C14 H16  sing N N 36  
A1BGY C14 H14  sing N N 37  
A1BGY C14 H15  sing N N 38  
A1BGY C16 H19  sing N N 39  
A1BGY C16 H17  sing N N 40  
A1BGY C16 H18  sing N N 41  
ALA   N   CA   sing N N 42  
ALA   N   H    sing N N 43  
ALA   N   H2   sing N N 44  
ALA   CA  C    sing N N 45  
ALA   CA  CB   sing N N 46  
ALA   CA  HA   sing N N 47  
ALA   C   O    doub N N 48  
ALA   C   OXT  sing N N 49  
ALA   CB  HB1  sing N N 50  
ALA   CB  HB2  sing N N 51  
ALA   CB  HB3  sing N N 52  
ALA   OXT HXT  sing N N 53  
ARG   N   CA   sing N N 54  
ARG   N   H    sing N N 55  
ARG   N   H2   sing N N 56  
ARG   CA  C    sing N N 57  
ARG   CA  CB   sing N N 58  
ARG   CA  HA   sing N N 59  
ARG   C   O    doub N N 60  
ARG   C   OXT  sing N N 61  
ARG   CB  CG   sing N N 62  
ARG   CB  HB2  sing N N 63  
ARG   CB  HB3  sing N N 64  
ARG   CG  CD   sing N N 65  
ARG   CG  HG2  sing N N 66  
ARG   CG  HG3  sing N N 67  
ARG   CD  NE   sing N N 68  
ARG   CD  HD2  sing N N 69  
ARG   CD  HD3  sing N N 70  
ARG   NE  CZ   sing N N 71  
ARG   NE  HE   sing N N 72  
ARG   CZ  NH1  sing N N 73  
ARG   CZ  NH2  doub N N 74  
ARG   NH1 HH11 sing N N 75  
ARG   NH1 HH12 sing N N 76  
ARG   NH2 HH21 sing N N 77  
ARG   NH2 HH22 sing N N 78  
ARG   OXT HXT  sing N N 79  
ASN   N   CA   sing N N 80  
ASN   N   H    sing N N 81  
ASN   N   H2   sing N N 82  
ASN   CA  C    sing N N 83  
ASN   CA  CB   sing N N 84  
ASN   CA  HA   sing N N 85  
ASN   C   O    doub N N 86  
ASN   C   OXT  sing N N 87  
ASN   CB  CG   sing N N 88  
ASN   CB  HB2  sing N N 89  
ASN   CB  HB3  sing N N 90  
ASN   CG  OD1  doub N N 91  
ASN   CG  ND2  sing N N 92  
ASN   ND2 HD21 sing N N 93  
ASN   ND2 HD22 sing N N 94  
ASN   OXT HXT  sing N N 95  
ASP   N   CA   sing N N 96  
ASP   N   H    sing N N 97  
ASP   N   H2   sing N N 98  
ASP   CA  C    sing N N 99  
ASP   CA  CB   sing N N 100 
ASP   CA  HA   sing N N 101 
ASP   C   O    doub N N 102 
ASP   C   OXT  sing N N 103 
ASP   CB  CG   sing N N 104 
ASP   CB  HB2  sing N N 105 
ASP   CB  HB3  sing N N 106 
ASP   CG  OD1  doub N N 107 
ASP   CG  OD2  sing N N 108 
ASP   OD2 HD2  sing N N 109 
ASP   OXT HXT  sing N N 110 
CYS   N   CA   sing N N 111 
CYS   N   H    sing N N 112 
CYS   N   H2   sing N N 113 
CYS   CA  C    sing N N 114 
CYS   CA  CB   sing N N 115 
CYS   CA  HA   sing N N 116 
CYS   C   O    doub N N 117 
CYS   C   OXT  sing N N 118 
CYS   CB  SG   sing N N 119 
CYS   CB  HB2  sing N N 120 
CYS   CB  HB3  sing N N 121 
CYS   SG  HG   sing N N 122 
CYS   OXT HXT  sing N N 123 
DMS   S   O    doub N N 124 
DMS   S   C1   sing N N 125 
DMS   S   C2   sing N N 126 
DMS   C1  H11  sing N N 127 
DMS   C1  H12  sing N N 128 
DMS   C1  H13  sing N N 129 
DMS   C2  H21  sing N N 130 
DMS   C2  H22  sing N N 131 
DMS   C2  H23  sing N N 132 
GLN   N   CA   sing N N 133 
GLN   N   H    sing N N 134 
GLN   N   H2   sing N N 135 
GLN   CA  C    sing N N 136 
GLN   CA  CB   sing N N 137 
GLN   CA  HA   sing N N 138 
GLN   C   O    doub N N 139 
GLN   C   OXT  sing N N 140 
GLN   CB  CG   sing N N 141 
GLN   CB  HB2  sing N N 142 
GLN   CB  HB3  sing N N 143 
GLN   CG  CD   sing N N 144 
GLN   CG  HG2  sing N N 145 
GLN   CG  HG3  sing N N 146 
GLN   CD  OE1  doub N N 147 
GLN   CD  NE2  sing N N 148 
GLN   NE2 HE21 sing N N 149 
GLN   NE2 HE22 sing N N 150 
GLN   OXT HXT  sing N N 151 
GLU   N   CA   sing N N 152 
GLU   N   H    sing N N 153 
GLU   N   H2   sing N N 154 
GLU   CA  C    sing N N 155 
GLU   CA  CB   sing N N 156 
GLU   CA  HA   sing N N 157 
GLU   C   O    doub N N 158 
GLU   C   OXT  sing N N 159 
GLU   CB  CG   sing N N 160 
GLU   CB  HB2  sing N N 161 
GLU   CB  HB3  sing N N 162 
GLU   CG  CD   sing N N 163 
GLU   CG  HG2  sing N N 164 
GLU   CG  HG3  sing N N 165 
GLU   CD  OE1  doub N N 166 
GLU   CD  OE2  sing N N 167 
GLU   OE2 HE2  sing N N 168 
GLU   OXT HXT  sing N N 169 
GLY   N   CA   sing N N 170 
GLY   N   H    sing N N 171 
GLY   N   H2   sing N N 172 
GLY   CA  C    sing N N 173 
GLY   CA  HA2  sing N N 174 
GLY   CA  HA3  sing N N 175 
GLY   C   O    doub N N 176 
GLY   C   OXT  sing N N 177 
GLY   OXT HXT  sing N N 178 
HIS   N   CA   sing N N 179 
HIS   N   H    sing N N 180 
HIS   N   H2   sing N N 181 
HIS   CA  C    sing N N 182 
HIS   CA  CB   sing N N 183 
HIS   CA  HA   sing N N 184 
HIS   C   O    doub N N 185 
HIS   C   OXT  sing N N 186 
HIS   CB  CG   sing N N 187 
HIS   CB  HB2  sing N N 188 
HIS   CB  HB3  sing N N 189 
HIS   CG  ND1  sing Y N 190 
HIS   CG  CD2  doub Y N 191 
HIS   ND1 CE1  doub Y N 192 
HIS   ND1 HD1  sing N N 193 
HIS   CD2 NE2  sing Y N 194 
HIS   CD2 HD2  sing N N 195 
HIS   CE1 NE2  sing Y N 196 
HIS   CE1 HE1  sing N N 197 
HIS   NE2 HE2  sing N N 198 
HIS   OXT HXT  sing N N 199 
HOH   O   H1   sing N N 200 
HOH   O   H2   sing N N 201 
ILE   N   CA   sing N N 202 
ILE   N   H    sing N N 203 
ILE   N   H2   sing N N 204 
ILE   CA  C    sing N N 205 
ILE   CA  CB   sing N N 206 
ILE   CA  HA   sing N N 207 
ILE   C   O    doub N N 208 
ILE   C   OXT  sing N N 209 
ILE   CB  CG1  sing N N 210 
ILE   CB  CG2  sing N N 211 
ILE   CB  HB   sing N N 212 
ILE   CG1 CD1  sing N N 213 
ILE   CG1 HG12 sing N N 214 
ILE   CG1 HG13 sing N N 215 
ILE   CG2 HG21 sing N N 216 
ILE   CG2 HG22 sing N N 217 
ILE   CG2 HG23 sing N N 218 
ILE   CD1 HD11 sing N N 219 
ILE   CD1 HD12 sing N N 220 
ILE   CD1 HD13 sing N N 221 
ILE   OXT HXT  sing N N 222 
LEU   N   CA   sing N N 223 
LEU   N   H    sing N N 224 
LEU   N   H2   sing N N 225 
LEU   CA  C    sing N N 226 
LEU   CA  CB   sing N N 227 
LEU   CA  HA   sing N N 228 
LEU   C   O    doub N N 229 
LEU   C   OXT  sing N N 230 
LEU   CB  CG   sing N N 231 
LEU   CB  HB2  sing N N 232 
LEU   CB  HB3  sing N N 233 
LEU   CG  CD1  sing N N 234 
LEU   CG  CD2  sing N N 235 
LEU   CG  HG   sing N N 236 
LEU   CD1 HD11 sing N N 237 
LEU   CD1 HD12 sing N N 238 
LEU   CD1 HD13 sing N N 239 
LEU   CD2 HD21 sing N N 240 
LEU   CD2 HD22 sing N N 241 
LEU   CD2 HD23 sing N N 242 
LEU   OXT HXT  sing N N 243 
LYS   N   CA   sing N N 244 
LYS   N   H    sing N N 245 
LYS   N   H2   sing N N 246 
LYS   CA  C    sing N N 247 
LYS   CA  CB   sing N N 248 
LYS   CA  HA   sing N N 249 
LYS   C   O    doub N N 250 
LYS   C   OXT  sing N N 251 
LYS   CB  CG   sing N N 252 
LYS   CB  HB2  sing N N 253 
LYS   CB  HB3  sing N N 254 
LYS   CG  CD   sing N N 255 
LYS   CG  HG2  sing N N 256 
LYS   CG  HG3  sing N N 257 
LYS   CD  CE   sing N N 258 
LYS   CD  HD2  sing N N 259 
LYS   CD  HD3  sing N N 260 
LYS   CE  NZ   sing N N 261 
LYS   CE  HE2  sing N N 262 
LYS   CE  HE3  sing N N 263 
LYS   NZ  HZ1  sing N N 264 
LYS   NZ  HZ2  sing N N 265 
LYS   NZ  HZ3  sing N N 266 
LYS   OXT HXT  sing N N 267 
MET   N   CA   sing N N 268 
MET   N   H    sing N N 269 
MET   N   H2   sing N N 270 
MET   CA  C    sing N N 271 
MET   CA  CB   sing N N 272 
MET   CA  HA   sing N N 273 
MET   C   O    doub N N 274 
MET   C   OXT  sing N N 275 
MET   CB  CG   sing N N 276 
MET   CB  HB2  sing N N 277 
MET   CB  HB3  sing N N 278 
MET   CG  SD   sing N N 279 
MET   CG  HG2  sing N N 280 
MET   CG  HG3  sing N N 281 
MET   SD  CE   sing N N 282 
MET   CE  HE1  sing N N 283 
MET   CE  HE2  sing N N 284 
MET   CE  HE3  sing N N 285 
MET   OXT HXT  sing N N 286 
PHE   N   CA   sing N N 287 
PHE   N   H    sing N N 288 
PHE   N   H2   sing N N 289 
PHE   CA  C    sing N N 290 
PHE   CA  CB   sing N N 291 
PHE   CA  HA   sing N N 292 
PHE   C   O    doub N N 293 
PHE   C   OXT  sing N N 294 
PHE   CB  CG   sing N N 295 
PHE   CB  HB2  sing N N 296 
PHE   CB  HB3  sing N N 297 
PHE   CG  CD1  doub Y N 298 
PHE   CG  CD2  sing Y N 299 
PHE   CD1 CE1  sing Y N 300 
PHE   CD1 HD1  sing N N 301 
PHE   CD2 CE2  doub Y N 302 
PHE   CD2 HD2  sing N N 303 
PHE   CE1 CZ   doub Y N 304 
PHE   CE1 HE1  sing N N 305 
PHE   CE2 CZ   sing Y N 306 
PHE   CE2 HE2  sing N N 307 
PHE   CZ  HZ   sing N N 308 
PHE   OXT HXT  sing N N 309 
PRO   N   CA   sing N N 310 
PRO   N   CD   sing N N 311 
PRO   N   H    sing N N 312 
PRO   CA  C    sing N N 313 
PRO   CA  CB   sing N N 314 
PRO   CA  HA   sing N N 315 
PRO   C   O    doub N N 316 
PRO   C   OXT  sing N N 317 
PRO   CB  CG   sing N N 318 
PRO   CB  HB2  sing N N 319 
PRO   CB  HB3  sing N N 320 
PRO   CG  CD   sing N N 321 
PRO   CG  HG2  sing N N 322 
PRO   CG  HG3  sing N N 323 
PRO   CD  HD2  sing N N 324 
PRO   CD  HD3  sing N N 325 
PRO   OXT HXT  sing N N 326 
SER   N   CA   sing N N 327 
SER   N   H    sing N N 328 
SER   N   H2   sing N N 329 
SER   CA  C    sing N N 330 
SER   CA  CB   sing N N 331 
SER   CA  HA   sing N N 332 
SER   C   O    doub N N 333 
SER   C   OXT  sing N N 334 
SER   CB  OG   sing N N 335 
SER   CB  HB2  sing N N 336 
SER   CB  HB3  sing N N 337 
SER   OG  HG   sing N N 338 
SER   OXT HXT  sing N N 339 
SO4   S   O1   doub N N 340 
SO4   S   O2   doub N N 341 
SO4   S   O3   sing N N 342 
SO4   S   O4   sing N N 343 
THR   N   CA   sing N N 344 
THR   N   H    sing N N 345 
THR   N   H2   sing N N 346 
THR   CA  C    sing N N 347 
THR   CA  CB   sing N N 348 
THR   CA  HA   sing N N 349 
THR   C   O    doub N N 350 
THR   C   OXT  sing N N 351 
THR   CB  OG1  sing N N 352 
THR   CB  CG2  sing N N 353 
THR   CB  HB   sing N N 354 
THR   OG1 HG1  sing N N 355 
THR   CG2 HG21 sing N N 356 
THR   CG2 HG22 sing N N 357 
THR   CG2 HG23 sing N N 358 
THR   OXT HXT  sing N N 359 
TRP   N   CA   sing N N 360 
TRP   N   H    sing N N 361 
TRP   N   H2   sing N N 362 
TRP   CA  C    sing N N 363 
TRP   CA  CB   sing N N 364 
TRP   CA  HA   sing N N 365 
TRP   C   O    doub N N 366 
TRP   C   OXT  sing N N 367 
TRP   CB  CG   sing N N 368 
TRP   CB  HB2  sing N N 369 
TRP   CB  HB3  sing N N 370 
TRP   CG  CD1  doub Y N 371 
TRP   CG  CD2  sing Y N 372 
TRP   CD1 NE1  sing Y N 373 
TRP   CD1 HD1  sing N N 374 
TRP   CD2 CE2  doub Y N 375 
TRP   CD2 CE3  sing Y N 376 
TRP   NE1 CE2  sing Y N 377 
TRP   NE1 HE1  sing N N 378 
TRP   CE2 CZ2  sing Y N 379 
TRP   CE3 CZ3  doub Y N 380 
TRP   CE3 HE3  sing N N 381 
TRP   CZ2 CH2  doub Y N 382 
TRP   CZ2 HZ2  sing N N 383 
TRP   CZ3 CH2  sing Y N 384 
TRP   CZ3 HZ3  sing N N 385 
TRP   CH2 HH2  sing N N 386 
TRP   OXT HXT  sing N N 387 
TYR   N   CA   sing N N 388 
TYR   N   H    sing N N 389 
TYR   N   H2   sing N N 390 
TYR   CA  C    sing N N 391 
TYR   CA  CB   sing N N 392 
TYR   CA  HA   sing N N 393 
TYR   C   O    doub N N 394 
TYR   C   OXT  sing N N 395 
TYR   CB  CG   sing N N 396 
TYR   CB  HB2  sing N N 397 
TYR   CB  HB3  sing N N 398 
TYR   CG  CD1  doub Y N 399 
TYR   CG  CD2  sing Y N 400 
TYR   CD1 CE1  sing Y N 401 
TYR   CD1 HD1  sing N N 402 
TYR   CD2 CE2  doub Y N 403 
TYR   CD2 HD2  sing N N 404 
TYR   CE1 CZ   doub Y N 405 
TYR   CE1 HE1  sing N N 406 
TYR   CE2 CZ   sing Y N 407 
TYR   CE2 HE2  sing N N 408 
TYR   CZ  OH   sing N N 409 
TYR   OH  HH   sing N N 410 
TYR   OXT HXT  sing N N 411 
VAL   N   CA   sing N N 412 
VAL   N   H    sing N N 413 
VAL   N   H2   sing N N 414 
VAL   CA  C    sing N N 415 
VAL   CA  CB   sing N N 416 
VAL   CA  HA   sing N N 417 
VAL   C   O    doub N N 418 
VAL   C   OXT  sing N N 419 
VAL   CB  CG1  sing N N 420 
VAL   CB  CG2  sing N N 421 
VAL   CB  HB   sing N N 422 
VAL   CG1 HG11 sing N N 423 
VAL   CG1 HG12 sing N N 424 
VAL   CG1 HG13 sing N N 425 
VAL   CG2 HG21 sing N N 426 
VAL   CG2 HG22 sing N N 427 
VAL   CG2 HG23 sing N N 428 
VAL   OXT HXT  sing N N 429 
# 
_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                    7HOP 
_atom_sites.fract_transf_matrix[1][1]   0.023547 
_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]   0.023547 
_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]   0.004620 
_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   ? -20.849 19.368  -7.468  1.00 63.54  ? 50  ASP   A N   1 
ATOM   2    C CA  . ASP   A 1 7   ? -22.099 18.568  -7.561  1.00 61.33  ? 50  ASP   A CA  1 
ATOM   3    C C   . ASP   A 1 7   ? -22.097 17.785  -8.883  1.00 59.06  ? 50  ASP   A C   1 
ATOM   4    O O   . ASP   A 1 7   ? -21.601 18.325  -9.934  1.00 60.05  ? 50  ASP   A O   1 
ATOM   5    C CB  . ASP   A 1 7   ? -23.340 19.447  -7.419  1.00 63.92  ? 50  ASP   A CB  1 
ATOM   6    C CG  . ASP   A 1 7   ? -24.566 18.653  -7.013  1.00 63.43  ? 50  ASP   A CG  1 
ATOM   7    O OD1 . ASP   A 1 7   ? -24.561 18.174  -5.836  1.00 65.28  ? 50  ASP   A OD1 1 
ATOM   8    O OD2 . ASP   A 1 7   ? -25.520 18.520  -7.881  1.00 65.11  ? 50  ASP   A OD2 1 
ATOM   9    N N   . MET   A 1 8   ? -22.595 16.545  -8.831  1.00 54.07  ? 51  MET   A N   1 
ATOM   10   C CA  . MET   A 1 8   ? -22.460 15.577  -9.944  1.00 51.78  ? 51  MET   A CA  1 
ATOM   11   C C   . MET   A 1 8   ? -23.842 15.290  -10.507 1.00 49.45  ? 51  MET   A C   1 
ATOM   12   O O   . MET   A 1 8   ? -24.781 15.160  -9.726  1.00 48.87  ? 51  MET   A O   1 
ATOM   13   C CB  . MET   A 1 8   ? -21.840 14.263  -9.470  1.00 50.73  ? 51  MET   A CB  1 
ATOM   14   C CG  . MET   A 1 8   ? -20.368 14.352  -9.313  1.00 52.14  ? 51  MET   A CG  1 
ATOM   15   S SD  . MET   A 1 8   ? -19.582 12.721  -9.239  1.00 50.82  ? 51  MET   A SD  1 
ATOM   16   C CE  . MET   A 1 8   ? -17.906 13.269  -8.905  1.00 52.11  ? 51  MET   A CE  1 
ATOM   17   N N   . TYR   A 1 9   ? -23.953 15.191  -11.824 1.00 47.61  ? 52  TYR   A N   1 
ATOM   18   C CA  . TYR   A 1 9   ? -25.246 14.914  -12.496 1.00 46.33  ? 52  TYR   A CA  1 
ATOM   19   C C   . TYR   A 1 9   ? -24.970 13.908  -13.653 1.00 45.21  ? 52  TYR   A C   1 
ATOM   20   O O   . TYR   A 1 9   ? -23.784 14.000  -14.275 1.00 45.48  ? 52  TYR   A O   1 
ATOM   21   C CB  . TYR   A 1 9   ? -25.909 16.214  -12.981 1.00 47.59  ? 52  TYR   A CB  1 
ATOM   22   C CG  . TYR   A 1 9   ? -25.135 16.999  -14.015 1.00 49.47  ? 52  TYR   A CG  1 
ATOM   23   C CD1 . TYR   A 1 9   ? -24.171 17.922  -13.635 1.00 50.86  ? 52  TYR   A CD1 1 
ATOM   24   C CD2 . TYR   A 1 9   ? -25.362 16.832  -15.377 1.00 49.92  ? 52  TYR   A CD2 1 
ATOM   25   C CE1 . TYR   A 1 9   ? -23.466 18.673  -14.567 1.00 52.92  ? 52  TYR   A CE1 1 
ATOM   26   C CE2 . TYR   A 1 9   ? -24.650 17.565  -16.325 1.00 51.81  ? 52  TYR   A CE2 1 
ATOM   27   C CZ  . TYR   A 1 9   ? -23.702 18.492  -15.920 1.00 53.28  ? 52  TYR   A CZ  1 
ATOM   28   O OH  . TYR   A 1 9   ? -22.966 19.217  -16.834 1.00 55.56  ? 52  TYR   A OH  1 
ATOM   29   N N   . ILE   A 1 10  ? -26.105 13.241  -14.036 1.00 43.96  ? 53  ILE   A N   1 
ATOM   30   C CA  . ILE   A 1 10  ? -26.069 12.259  -15.164 1.00 43.22  ? 53  ILE   A CA  1 
ATOM   31   C C   . ILE   A 1 10  ? -26.861 12.794  -16.371 1.00 44.50  ? 53  ILE   A C   1 
ATOM   32   O O   . ILE   A 1 10  ? -27.847 13.519  -16.187 1.00 44.45  ? 53  ILE   A O   1 
ATOM   33   C CB  . ILE   A 1 10  ? -26.549 10.867  -14.714 1.00 41.70  ? 53  ILE   A CB  1 
ATOM   34   C CG1 . ILE   A 1 10  ? -27.982 10.815  -14.195 1.00 41.73  ? 53  ILE   A CG1 1 
ATOM   35   C CG2 . ILE   A 1 10  ? -25.601 10.309  -13.673 1.00 41.16  ? 53  ILE   A CG2 1 
ATOM   36   C CD1 . ILE   A 1 10  ? -28.509 9.406   -14.158 1.00 40.50  ? 53  ILE   A CD1 1 
ATOM   37   N N   . GLU   A 1 11  ? -26.416 12.372  -17.564 1.00 45.49  ? 54  GLU   A N   1 
ATOM   38   C CA  . GLU   A 1 11  ? -27.016 12.662  -18.907 1.00 47.49  ? 54  GLU   A CA  1 
ATOM   39   C C   . GLU   A 1 11  ? -26.972 11.320  -19.701 1.00 46.16  ? 54  GLU   A C   1 
ATOM   40   O O   . GLU   A 1 11  ? -25.856 10.728  -20.116 1.00 46.41  ? 54  GLU   A O   1 
ATOM   41   C CB  . GLU   A 1 11  ? -26.173 13.634  -19.739 1.00 49.77  ? 54  GLU   A CB  1 
ATOM   42   C CG  . GLU   A 1 11  ? -26.214 15.079  -19.311 1.00 52.32  ? 54  GLU   A CG  1 
ATOM   43   C CD  . GLU   A 1 11  ? -25.250 15.950  -20.117 1.00 54.78  ? 54  GLU   A CD  1 
ATOM   44   O OE1 . GLU   A 1 11  ? -24.408 15.375  -20.899 1.00 56.70  ? 54  GLU   A OE1 1 
ATOM   45   O OE2 . GLU   A 1 11  ? -25.307 17.191  -19.934 1.00 57.55  ? 54  GLU   A OE2 1 
ATOM   46   N N   . ARG   A 1 12  ? -28.251 10.972  -20.249 1.00 46.41  ? 55  ARG   A N   1 
ATOM   47   C CA  . ARG   A 1 12  ? -28.338 9.686   -20.991 1.00 46.11  ? 55  ARG   A CA  1 
ATOM   48   C C   . ARG   A 1 12  ? -27.522 9.870   -22.291 1.00 47.59  ? 55  ARG   A C   1 
ATOM   49   O O   . ARG   A 1 12  ? -27.526 11.040  -22.785 1.00 49.46  ? 55  ARG   A O   1 
ATOM   50   C CB  . ARG   A 1 12  ? -29.790 9.276   -21.229 1.00 46.75  ? 55  ARG   A CB  1 
ATOM   51   C CG  . ARG   A 1 12  ? -29.995 7.806   -21.567 1.00 46.37  ? 55  ARG   A CG  1 
ATOM   52   C CD  . ARG   A 1 12  ? -31.479 7.482   -21.599 1.00 47.28  ? 55  ARG   A CD  1 
ATOM   53   N NE  . ARG   A 1 12  ? -31.797 6.129   -22.005 1.00 46.91  ? 55  ARG   A NE  1 
ATOM   54   C CZ  . ARG   A 1 12  ? -31.617 5.662   -23.249 1.00 48.35  ? 55  ARG   A CZ  1 
ATOM   55   N NH1 . ARG   A 1 12  ? -31.133 6.450   -24.198 1.00 51.97  ? 55  ARG   A NH1 1 
ATOM   56   N NH2 . ARG   A 1 12  ? -31.867 4.393   -23.528 1.00 46.91  ? 55  ARG   A NH2 1 
ATOM   57   N N   . ALA   A 1 13  ? -26.812 8.813   -22.700 1.00 47.12  ? 56  ALA   A N   1 
ATOM   58   C CA  . ALA   A 1 13  ? -25.828 8.827   -23.808 1.00 48.97  ? 56  ALA   A CA  1 
ATOM   59   C C   . ALA   A 1 13  ? -26.182 7.726   -24.896 1.00 51.15  ? 56  ALA   A C   1 
ATOM   60   O O   . ALA   A 1 13  ? -25.863 7.973   -25.996 1.00 53.70  ? 56  ALA   A O   1 
ATOM   61   C CB  . ALA   A 1 13  ? -24.399 8.617   -23.270 1.00 48.95  ? 56  ALA   A CB  1 
ATOM   62   N N   . GLY   A 1 14  ? -27.198 6.846   -24.596 1.00 49.88  ? 57  GLY   A N   1 
ATOM   63   C CA  . GLY   A 1 14  ? -27.488 5.721   -25.530 1.00 50.60  ? 57  GLY   A CA  1 
ATOM   64   C C   . GLY   A 1 14  ? -28.218 4.500   -24.900 1.00 50.89  ? 57  GLY   A C   1 
ATOM   65   O O   . GLY   A 1 14  ? -28.206 4.299   -23.597 1.00 49.24  ? 57  GLY   A O   1 
ATOM   66   N N   . ASP   A 1 15  ? -28.792 3.679   -25.785 1.00 51.64  ? 58  ASP   A N   1 
ATOM   67   C CA  . ASP   A 1 15  ? -29.309 2.320   -25.481 1.00 51.82  ? 58  ASP   A CA  1 
ATOM   68   C C   . ASP   A 1 15  ? -28.068 1.361   -25.362 1.00 51.98  ? 58  ASP   A C   1 
ATOM   69   O O   . ASP   A 1 15  ? -26.990 1.543   -25.723 1.00 53.81  ? 58  ASP   A O   1 
ATOM   70   C CB  . ASP   A 1 15  ? -30.229 1.770   -26.569 1.00 54.46  ? 58  ASP   A CB  1 
ATOM   71   C CG  . ASP   A 1 15  ? -31.604 2.528   -26.674 1.00 56.71  ? 58  ASP   A CG  1 
ATOM   72   O OD1 . ASP   A 1 15  ? -31.821 3.484   -25.814 1.00 56.17  ? 58  ASP   A OD1 1 
ATOM   73   O OD2 . ASP   A 1 15  ? -32.443 2.075   -27.466 1.00 59.91  ? 58  ASP   A OD2 1 
ATOM   74   N N   . ILE   A 1 16  ? -28.370 0.267   -24.510 1.00 49.35  ? 59  ILE   A N   1 
ATOM   75   C CA  . ILE   A 1 16  ? -27.297 -0.755  -24.376 1.00 49.15  ? 59  ILE   A CA  1 
ATOM   76   C C   . ILE   A 1 16  ? -27.658 -1.932  -25.318 1.00 50.22  ? 59  ILE   A C   1 
ATOM   77   O O   . ILE   A 1 16  ? -28.570 -2.768  -25.043 1.00 50.65  ? 59  ILE   A O   1 
ATOM   78   C CB  . ILE   A 1 16  ? -27.141 -1.130  -22.911 1.00 47.14  ? 59  ILE   A CB  1 
ATOM   79   C CG1 . ILE   A 1 16  ? -26.571 0.093   -22.188 1.00 46.92  ? 59  ILE   A CG1 1 
ATOM   80   C CG2 . ILE   A 1 16  ? -26.291 -2.362  -22.768 1.00 47.08  ? 59  ILE   A CG2 1 
ATOM   81   C CD1 . ILE   A 1 16  ? -26.610 -0.008  -20.695 1.00 45.52  ? 59  ILE   A CD1 1 
ATOM   82   N N   A THR   A 1 17  ? -26.881 -1.905  -26.469 0.22 51.48  ? 60  THR   A N   1 
ATOM   83   N N   B THR   A 1 17  ? -26.888 -1.929  -26.468 0.23 51.31  ? 60  THR   A N   1 
ATOM   84   N N   C THR   A 1 17  ? -26.880 -1.905  -26.469 0.18 51.48  ? 60  THR   A N   1 
ATOM   85   N N   D THR   A 1 17  ? -26.887 -1.928  -26.469 0.18 51.31  ? 60  THR   A N   1 
ATOM   86   N N   E THR   A 1 17  ? -26.880 -1.905  -26.469 0.18 51.48  ? 60  THR   A N   1 
ATOM   87   C CA  A THR   A 1 17  ? -27.114 -2.766  -27.657 0.22 52.63  ? 60  THR   A CA  1 
ATOM   88   C CA  B THR   A 1 17  ? -27.164 -2.798  -27.642 0.23 52.32  ? 60  THR   A CA  1 
ATOM   89   C CA  C THR   A 1 17  ? -27.113 -2.764  -27.659 0.18 52.63  ? 60  THR   A CA  1 
ATOM   90   C CA  D THR   A 1 17  ? -27.164 -2.798  -27.643 0.18 52.32  ? 60  THR   A CA  1 
ATOM   91   C CA  E THR   A 1 17  ? -27.113 -2.764  -27.659 0.18 52.63  ? 60  THR   A CA  1 
ATOM   92   C C   A THR   A 1 17  ? -25.773 -3.268  -28.224 0.22 52.95  ? 60  THR   A C   1 
ATOM   93   C C   B THR   A 1 17  ? -25.837 -3.231  -28.311 0.23 52.99  ? 60  THR   A C   1 
ATOM   94   C C   C THR   A 1 17  ? -25.773 -3.269  -28.224 0.18 52.97  ? 60  THR   A C   1 
ATOM   95   C C   D THR   A 1 17  ? -25.838 -3.232  -28.311 0.18 53.01  ? 60  THR   A C   1 
ATOM   96   C C   E THR   A 1 17  ? -25.773 -3.269  -28.224 0.18 52.97  ? 60  THR   A C   1 
ATOM   97   O O   A THR   A 1 17  ? -24.775 -2.455  -28.385 0.22 53.84  ? 60  THR   A O   1 
ATOM   98   O O   B THR   A 1 17  ? -24.929 -2.332  -28.684 0.23 54.33  ? 60  THR   A O   1 
ATOM   99   O O   C THR   A 1 17  ? -24.773 -2.458  -28.378 0.18 53.79  ? 60  THR   A O   1 
ATOM   100  O O   D THR   A 1 17  ? -24.926 -2.335  -28.678 0.18 54.25  ? 60  THR   A O   1 
ATOM   101  O O   E THR   A 1 17  ? -24.773 -2.458  -28.378 0.18 53.79  ? 60  THR   A O   1 
ATOM   102  C CB  A THR   A 1 17  ? -27.894 -2.007  -28.736 0.22 54.23  ? 60  THR   A CB  1 
ATOM   103  C CB  B THR   A 1 17  ? -28.122 -2.077  -28.600 0.23 53.50  ? 60  THR   A CB  1 
ATOM   104  C CB  C THR   A 1 17  ? -27.893 -2.005  -28.739 0.18 54.24  ? 60  THR   A CB  1 
ATOM   105  C CB  D THR   A 1 17  ? -28.121 -2.077  -28.601 0.18 53.54  ? 60  THR   A CB  1 
ATOM   106  C CB  E THR   A 1 17  ? -27.893 -2.005  -28.739 0.18 54.24  ? 60  THR   A CB  1 
ATOM   107  O OG1 A THR   A 1 17  ? -27.002 -1.090  -29.366 0.22 55.32  ? 60  THR   A OG1 1 
ATOM   108  O OG1 B THR   A 1 17  ? -29.382 -2.032  -27.926 0.23 52.34  ? 60  THR   A OG1 1 
ATOM   109  O OG1 C THR   A 1 17  ? -27.002 -1.091  -29.380 0.18 55.32  ? 60  THR   A OG1 1 
ATOM   110  O OG1 D THR   A 1 17  ? -29.383 -2.034  -27.930 0.18 52.44  ? 60  THR   A OG1 1 
ATOM   111  O OG1 E THR   A 1 17  ? -27.002 -1.091  -29.380 0.18 55.32  ? 60  THR   A OG1 1 
ATOM   112  C CG2 A THR   A 1 17  ? -29.080 -1.255  -28.174 0.22 54.00  ? 60  THR   A CG2 1 
ATOM   113  C CG2 B THR   A 1 17  ? -28.248 -2.746  -29.951 0.23 55.06  ? 60  THR   A CG2 1 
ATOM   114  C CG2 C THR   A 1 17  ? -29.079 -1.253  -28.177 0.18 54.00  ? 60  THR   A CG2 1 
ATOM   115  C CG2 D THR   A 1 17  ? -28.245 -2.746  -29.952 0.18 55.09  ? 60  THR   A CG2 1 
ATOM   116  C CG2 E THR   A 1 17  ? -29.079 -1.253  -28.177 0.18 54.00  ? 60  THR   A CG2 1 
ATOM   117  N N   . TRP   A 1 18  ? -25.782 -4.554  -28.632 1.00 53.04  ? 61  TRP   A N   1 
ATOM   118  C CA  . TRP   A 1 18  ? -24.709 -5.114  -29.484 1.00 54.89  ? 61  TRP   A CA  1 
ATOM   119  C C   . TRP   A 1 18  ? -24.940 -4.512  -30.870 1.00 57.71  ? 61  TRP   A C   1 
ATOM   120  O O   . TRP   A 1 18  ? -26.111 -4.402  -31.280 1.00 59.49  ? 61  TRP   A O   1 
ATOM   121  C CB  . TRP   A 1 18  ? -24.800 -6.635  -29.481 1.00 53.10  ? 61  TRP   A CB  1 
ATOM   122  C CG  . TRP   A 1 18  ? -23.695 -7.255  -30.247 1.00 53.32  ? 61  TRP   A CG  1 
ATOM   123  C CD1 . TRP   A 1 18  ? -23.688 -7.443  -31.597 1.00 54.36  ? 61  TRP   A CD1 1 
ATOM   124  C CD2 . TRP   A 1 18  ? -22.450 -7.774  -29.757 1.00 52.03  ? 61  TRP   A CD2 1 
ATOM   125  N NE1 . TRP   A 1 18  ? -22.512 -8.014  -31.983 1.00 54.94  ? 61  TRP   A NE1 1 
ATOM   126  C CE2 . TRP   A 1 18  ? -21.738 -8.251  -30.877 1.00 53.86  ? 61  TRP   A CE2 1 
ATOM   127  C CE3 . TRP   A 1 18  ? -21.850 -7.865  -28.503 1.00 49.89  ? 61  TRP   A CE3 1 
ATOM   128  C CZ2 . TRP   A 1 18  ? -20.467 -8.818  -30.776 1.00 54.17  ? 61  TRP   A CZ2 1 
ATOM   129  C CZ3 . TRP   A 1 18  ? -20.606 -8.435  -28.402 1.00 49.87  ? 61  TRP   A CZ3 1 
ATOM   130  C CH2 . TRP   A 1 18  ? -19.918 -8.915  -29.514 1.00 52.20  ? 61  TRP   A CH2 1 
ATOM   131  N N   A GLU   A 1 19  ? -23.859 -4.173  -31.577 0.22 59.14  ? 62  GLU   A N   1 
ATOM   132  N N   B GLU   A 1 19  ? -23.859 -4.171  -31.576 0.23 59.12  ? 62  GLU   A N   1 
ATOM   133  N N   C GLU   A 1 19  ? -23.852 -4.070  -31.527 0.18 58.99  ? 62  GLU   A N   1 
ATOM   134  N N   D GLU   A 1 19  ? -23.852 -4.070  -31.527 0.18 58.99  ? 62  GLU   A N   1 
ATOM   135  N N   E GLU   A 1 19  ? -23.852 -4.070  -31.527 0.18 58.99  ? 62  GLU   A N   1 
ATOM   136  C CA  A GLU   A 1 19  ? -23.935 -3.532  -32.914 0.22 62.00  ? 62  GLU   A CA  1 
ATOM   137  C CA  B GLU   A 1 19  ? -23.937 -3.531  -32.915 0.23 61.99  ? 62  GLU   A CA  1 
ATOM   138  C CA  C GLU   A 1 19  ? -23.846 -3.527  -32.916 0.18 61.77  ? 62  GLU   A CA  1 
ATOM   139  C CA  D GLU   A 1 19  ? -23.847 -3.527  -32.916 0.18 61.77  ? 62  GLU   A CA  1 
ATOM   140  C CA  E GLU   A 1 19  ? -23.846 -3.527  -32.916 0.18 61.77  ? 62  GLU   A CA  1 
ATOM   141  C C   A GLU   A 1 19  ? -23.121 -4.359  -33.914 0.22 63.56  ? 62  GLU   A C   1 
ATOM   142  C C   B GLU   A 1 19  ? -23.121 -4.358  -33.914 0.23 63.55  ? 62  GLU   A C   1 
ATOM   143  C C   C GLU   A 1 19  ? -23.141 -4.519  -33.842 0.18 63.32  ? 62  GLU   A C   1 
ATOM   144  C C   D GLU   A 1 19  ? -23.141 -4.519  -33.842 0.18 63.32  ? 62  GLU   A C   1 
ATOM   145  C C   E GLU   A 1 19  ? -23.141 -4.519  -33.842 0.18 63.32  ? 62  GLU   A C   1 
ATOM   146  O O   A GLU   A 1 19  ? -21.897 -4.476  -33.716 0.22 62.27  ? 62  GLU   A O   1 
ATOM   147  O O   B GLU   A 1 19  ? -21.898 -4.474  -33.715 0.23 62.22  ? 62  GLU   A O   1 
ATOM   148  O O   C GLU   A 1 19  ? -22.004 -4.911  -33.528 0.18 62.19  ? 62  GLU   A O   1 
ATOM   149  O O   D GLU   A 1 19  ? -22.004 -4.911  -33.528 0.18 62.19  ? 62  GLU   A O   1 
ATOM   150  O O   E GLU   A 1 19  ? -22.004 -4.911  -33.528 0.18 62.19  ? 62  GLU   A O   1 
ATOM   151  C CB  A GLU   A 1 19  ? -23.447 -2.086  -32.819 0.22 62.63  ? 62  GLU   A CB  1 
ATOM   152  C CB  B GLU   A 1 19  ? -23.452 -2.083  -32.823 0.23 62.63  ? 62  GLU   A CB  1 
ATOM   153  C CB  C GLU   A 1 19  ? -23.110 -2.187  -33.022 0.18 62.42  ? 62  GLU   A CB  1 
ATOM   154  C CB  D GLU   A 1 19  ? -23.111 -2.187  -33.022 0.18 62.42  ? 62  GLU   A CB  1 
ATOM   155  C CB  E GLU   A 1 19  ? -23.110 -2.187  -33.022 0.18 62.42  ? 62  GLU   A CB  1 
ATOM   156  C CG  A GLU   A 1 19  ? -24.136 -1.272  -31.733 0.22 61.74  ? 62  GLU   A CG  1 
ATOM   157  C CG  B GLU   A 1 19  ? -24.138 -1.270  -31.734 0.23 61.74  ? 62  GLU   A CG  1 
ATOM   158  C CG  C GLU   A 1 19  ? -23.263 -1.524  -34.392 0.18 64.83  ? 62  GLU   A CG  1 
ATOM   159  C CG  D GLU   A 1 19  ? -23.263 -1.524  -34.392 0.18 64.83  ? 62  GLU   A CG  1 
ATOM   160  C CG  E GLU   A 1 19  ? -23.263 -1.524  -34.392 0.18 64.83  ? 62  GLU   A CG  1 
ATOM   161  C CD  A GLU   A 1 19  ? -25.603 -0.919  -31.944 0.22 62.68  ? 62  GLU   A CD  1 
ATOM   162  C CD  B GLU   A 1 19  ? -25.610 -0.926  -31.925 0.23 62.65  ? 62  GLU   A CD  1 
ATOM   163  C CD  C GLU   A 1 19  ? -22.133 -0.607  -34.848 0.18 66.17  ? 62  GLU   A CD  1 
ATOM   164  C CD  D GLU   A 1 19  ? -22.131 -0.609  -34.847 0.18 66.17  ? 62  GLU   A CD  1 
ATOM   165  C CD  E GLU   A 1 19  ? -22.133 -0.607  -34.848 0.18 66.17  ? 62  GLU   A CD  1 
ATOM   166  O OE1 A GLU   A 1 19  ? -26.236 -1.475  -32.872 0.22 64.71  ? 62  GLU   A OE1 1 
ATOM   167  O OE1 B GLU   A 1 19  ? -26.246 -1.460  -32.863 0.23 64.73  ? 62  GLU   A OE1 1 
ATOM   168  O OE1 C GLU   A 1 19  ? -21.240 -0.315  -34.007 0.18 65.69  ? 62  GLU   A OE1 1 
ATOM   169  O OE1 D GLU   A 1 19  ? -21.242 -0.312  -34.007 0.18 65.69  ? 62  GLU   A OE1 1 
ATOM   170  O OE1 E GLU   A 1 19  ? -21.240 -0.315  -34.007 0.18 65.69  ? 62  GLU   A OE1 1 
ATOM   171  O OE2 A GLU   A 1 19  ? -26.114 -0.071  -31.177 0.22 62.28  ? 62  GLU   A OE2 1 
ATOM   172  O OE2 B GLU   A 1 19  ? -26.122 -0.107  -31.131 0.23 62.21  ? 62  GLU   A OE2 1 
ATOM   173  O OE2 C GLU   A 1 19  ? -22.159 -0.175  -36.050 0.18 68.44  ? 62  GLU   A OE2 1 
ATOM   174  O OE2 D GLU   A 1 19  ? -22.149 -0.185  -36.049 0.18 68.43  ? 62  GLU   A OE2 1 
ATOM   175  O OE2 E GLU   A 1 19  ? -22.159 -0.174  -36.050 0.18 68.44  ? 62  GLU   A OE2 1 
ATOM   176  N N   . LYS   A 1 20  ? -23.786 -4.884  -34.953 1.00 65.76  ? 63  LYS   A N   1 
ATOM   177  C CA  . LYS   A 1 20  ? -23.132 -5.673  -36.029 1.00 70.99  ? 63  LYS   A CA  1 
ATOM   178  C C   . LYS   A 1 20  ? -22.235 -4.667  -36.783 1.00 74.40  ? 63  LYS   A C   1 
ATOM   179  O O   . LYS   A 1 20  ? -22.695 -3.479  -36.987 1.00 78.78  ? 63  LYS   A O   1 
ATOM   180  C CB  . LYS   A 1 20  ? -24.180 -6.354  -36.910 1.00 74.89  ? 63  LYS   A CB  1 
ATOM   181  C CG  . LYS   A 1 20  ? -24.860 -7.563  -36.275 1.00 76.92  ? 63  LYS   A CG  1 
ATOM   182  C CD  . LYS   A 1 20  ? -26.155 -7.944  -36.985 1.00 79.96  ? 63  LYS   A CD  1 
ATOM   183  C CE  . LYS   A 1 20  ? -26.999 -8.962  -36.244 1.00 79.91  ? 63  LYS   A CE  1 
ATOM   184  N NZ  . LYS   A 1 20  ? -28.438 -8.779  -36.560 1.00 81.72  ? 63  LYS   A NZ  1 
ATOM   185  N N   . ASP   A 1 21  ? -20.977 -5.052  -37.023 1.00 76.05  ? 64  ASP   A N   1 
ATOM   186  C CA  . ASP   A 1 21  ? -19.987 -4.242  -37.793 1.00 79.91  ? 64  ASP   A CA  1 
ATOM   187  C C   . ASP   A 1 21  ? -19.543 -2.987  -36.978 1.00 77.02  ? 64  ASP   A C   1 
ATOM   188  O O   . ASP   A 1 21  ? -19.243 -1.949  -37.626 1.00 78.61  ? 64  ASP   A O   1 
ATOM   189  C CB  . ASP   A 1 21  ? -20.526 -3.909  -39.198 1.00 86.06  ? 64  ASP   A CB  1 
ATOM   190  C CG  . ASP   A 1 21  ? -20.739 -5.154  -40.085 1.00 90.12  ? 64  ASP   A CG  1 
ATOM   191  O OD1 . ASP   A 1 21  ? -19.835 -5.446  -40.935 1.00 92.29  ? 64  ASP   A OD1 1 
ATOM   192  O OD2 . ASP   A 1 21  ? -21.804 -5.816  -39.929 1.00 93.46  ? 64  ASP   A OD2 1 
ATOM   193  N N   . ALA   A 1 22  ? -19.632 -3.077  -35.612 1.00 72.99  ? 65  ALA   A N   1 
ATOM   194  C CA  . ALA   A 1 22  ? -18.722 -2.281  -34.702 1.00 69.95  ? 65  ALA   A CA  1 
ATOM   195  C C   . ALA   A 1 22  ? -17.201 -2.583  -35.140 1.00 70.98  ? 65  ALA   A C   1 
ATOM   196  O O   . ALA   A 1 22  ? -16.706 -3.963  -35.707 1.00 71.44  ? 65  ALA   A O   1 
ATOM   197  C CB  . ALA   A 1 22  ? -19.010 -2.598  -33.182 1.00 66.28  ? 65  ALA   A CB  1 
ATOM   198  N N   . GLU   A 1 23  ? -16.412 -1.435  -34.798 1.00 71.50  ? 66  GLU   A N   1 
ATOM   199  C CA  . GLU   A 1 23  ? -14.928 -1.344  -35.095 1.00 72.64  ? 66  GLU   A CA  1 
ATOM   200  C C   . GLU   A 1 23  ? -14.328 -2.420  -34.253 1.00 71.41  ? 66  GLU   A C   1 
ATOM   201  O O   . GLU   A 1 23  ? -14.657 -2.539  -32.984 1.00 67.35  ? 66  GLU   A O   1 
ATOM   202  C CB  . GLU   A 1 23  ? -14.443 0.073   -34.834 1.00 75.98  ? 66  GLU   A CB  1 
ATOM   203  C CG  . GLU   A 1 23  ? -12.915 0.252   -34.850 1.00 79.59  ? 66  GLU   A CG  1 
ATOM   204  C CD  . GLU   A 1 23  ? -12.521 1.711   -34.651 1.00 83.90  ? 66  GLU   A CD  1 
ATOM   205  O OE1 . GLU   A 1 23  ? -12.630 2.553   -35.742 1.00 88.39  ? 66  GLU   A OE1 1 
ATOM   206  O OE2 . GLU   A 1 23  ? -12.187 2.038   -33.397 1.00 84.18  ? 66  GLU   A OE2 1 
ATOM   207  N N   . VAL   A 1 24  ? -13.382 -3.222  -34.815 1.00 70.62  ? 67  VAL   A N   1 
ATOM   208  C CA  . VAL   A 1 24  ? -12.933 -4.494  -34.176 1.00 67.66  ? 67  VAL   A CA  1 
ATOM   209  C C   . VAL   A 1 24  ? -11.423 -4.405  -34.008 1.00 66.99  ? 67  VAL   A C   1 
ATOM   210  O O   . VAL   A 1 24  ? -10.677 -4.513  -35.028 1.00 69.24  ? 67  VAL   A O   1 
ATOM   211  C CB  . VAL   A 1 24  ? -13.394 -5.714  -34.993 1.00 68.92  ? 67  VAL   A CB  1 
ATOM   212  C CG1 . VAL   A 1 24  ? -13.098 -7.011  -34.282 1.00 67.36  ? 67  VAL   A CG1 1 
ATOM   213  C CG2 . VAL   A 1 24  ? -14.875 -5.612  -35.352 1.00 69.36  ? 67  VAL   A CG2 1 
ATOM   214  N N   . THR   A 1 25  ? -10.992 -4.233  -32.740 1.00 63.76  ? 68  THR   A N   1 
ATOM   215  C CA  . THR   A 1 25  ? -9.616  -3.796  -32.402 1.00 63.14  ? 68  THR   A CA  1 
ATOM   216  C C   . THR   A 1 25  ? -9.260  -4.325  -30.992 1.00 60.83  ? 68  THR   A C   1 
ATOM   217  O O   . THR   A 1 25  ? -10.133 -5.071  -30.353 1.00 59.10  ? 68  THR   A O   1 
ATOM   218  C CB  . THR   A 1 25  ? -9.532  -2.267  -32.530 1.00 64.58  ? 68  THR   A CB  1 
ATOM   219  O OG1 . THR   A 1 25  ? -8.090  -1.923  -32.471 1.00 67.70  ? 68  THR   A OG1 1 
ATOM   220  C CG2 . THR   A 1 25  ? -10.160 -1.526  -31.368 1.00 63.76  ? 68  THR   A CG2 1 
ATOM   221  N N   . GLY   A 1 26  ? -8.036  -4.012  -30.529 1.00 60.74  ? 69  GLY   A N   1 
ATOM   222  C CA  . GLY   A 1 26  ? -7.522  -4.470  -29.212 1.00 59.47  ? 69  GLY   A CA  1 
ATOM   223  C C   . GLY   A 1 26  ? -6.970  -5.921  -29.283 1.00 60.26  ? 69  GLY   A C   1 
ATOM   224  O O   . GLY   A 1 26  ? -7.557  -6.773  -29.899 1.00 62.01  ? 69  GLY   A O   1 
ATOM   225  N N   . ASN   A 1 27  ? -5.946  -6.151  -28.445 1.00 58.82  ? 70  ASN   A N   1 
ATOM   226  C CA  . ASN   A 1 27  ? -5.274  -7.463  -28.240 1.00 58.36  ? 70  ASN   A CA  1 
ATOM   227  C C   . ASN   A 1 27  ? -5.804  -8.089  -26.909 1.00 54.99  ? 70  ASN   A C   1 
ATOM   228  O O   . ASN   A 1 27  ? -6.610  -7.397  -26.197 1.00 52.14  ? 70  ASN   A O   1 
ATOM   229  C CB  . ASN   A 1 27  ? -3.732  -7.268  -28.325 1.00 60.90  ? 70  ASN   A CB  1 
ATOM   230  C CG  . ASN   A 1 27  ? -3.167  -6.562  -27.046 1.00 61.79  ? 70  ASN   A CG  1 
ATOM   231  O OD1 . ASN   A 1 27  ? -3.564  -5.442  -26.729 1.00 64.07  ? 70  ASN   A OD1 1 
ATOM   232  N ND2 . ASN   A 1 27  ? -2.155  -7.265  -26.482 1.00 63.71  ? 70  ASN   A ND2 1 
ATOM   233  N N   . SER   A 1 28  ? -5.411  -9.346  -26.668 1.00 54.10  ? 71  SER   A N   1 
ATOM   234  C CA  . SER   A 1 28  ? -6.029  -10.251 -25.663 1.00 53.97  ? 71  SER   A CA  1 
ATOM   235  C C   . SER   A 1 28  ? -4.914  -10.739 -24.715 1.00 54.42  ? 71  SER   A C   1 
ATOM   236  O O   . SER   A 1 28  ? -4.629  -11.966 -24.447 1.00 54.86  ? 71  SER   A O   1 
ATOM   237  C CB  . SER   A 1 28  ? -6.776  -11.390 -26.300 1.00 54.48  ? 71  SER   A CB  1 
ATOM   238  O OG  . SER   A 1 28  ? -7.697  -10.812 -27.396 1.00 57.56  ? 71  SER   A OG  1 
ATOM   239  N N   . PRO   A 1 29  ? -4.284  -9.757  -23.993 1.00 54.86  ? 72  PRO   A N   1 
ATOM   240  C CA  . PRO   A 1 29  ? -3.111  -10.050 -23.170 1.00 55.49  ? 72  PRO   A CA  1 
ATOM   241  C C   . PRO   A 1 29  ? -3.422  -10.837 -21.881 1.00 54.44  ? 72  PRO   A C   1 
ATOM   242  O O   . PRO   A 1 29  ? -4.397  -10.507 -21.143 1.00 51.92  ? 72  PRO   A O   1 
ATOM   243  C CB  . PRO   A 1 29  ? -2.576  -8.651  -22.815 1.00 55.82  ? 72  PRO   A CB  1 
ATOM   244  C CG  . PRO   A 1 29  ? -3.833  -7.804  -22.741 1.00 54.42  ? 72  PRO   A CG  1 
ATOM   245  C CD  . PRO   A 1 29  ? -4.683  -8.333  -23.885 1.00 55.34  ? 72  PRO   A CD  1 
ATOM   246  N N   . ARG   A 1 30  ? -2.568  -11.809 -21.589 1.00 55.98  ? 73  ARG   A N   1 
ATOM   247  C CA  . ARG   A 1 30  ? -2.611  -12.644 -20.355 1.00 56.50  ? 73  ARG   A CA  1 
ATOM   248  C C   . ARG   A 1 30  ? -1.621  -12.076 -19.305 1.00 54.56  ? 73  ARG   A C   1 
ATOM   249  O O   . ARG   A 1 30  ? -0.378  -12.200 -19.492 1.00 55.80  ? 73  ARG   A O   1 
ATOM   250  C CB  . ARG   A 1 30  ? -2.346  -14.114 -20.713 1.00 59.86  ? 73  ARG   A CB  1 
ATOM   251  C CG  . ARG   A 1 30  ? -3.490  -14.797 -21.465 1.00 62.50  ? 73  ARG   A CG  1 
ATOM   252  C CD  . ARG   A 1 30  ? -3.058  -15.796 -22.558 1.00 67.82  ? 73  ARG   A CD  1 
ATOM   253  N NE  . ARG   A 1 30  ? -4.183  -16.471 -23.231 1.00 69.51  ? 73  ARG   A NE  1 
ATOM   254  C CZ  . ARG   A 1 30  ? -4.923  -17.454 -22.691 1.00 69.93  ? 73  ARG   A CZ  1 
ATOM   255  N NH1 . ARG   A 1 30  ? -4.666  -17.886 -21.465 1.00 71.59  ? 73  ARG   A NH1 1 
ATOM   256  N NH2 . ARG   A 1 30  ? -5.925  -17.993 -23.372 1.00 67.76  ? 73  ARG   A NH2 1 
ATOM   257  N N   . LEU   A 1 31  ? -2.129  -11.443 -18.223 1.00 51.80  ? 74  LEU   A N   1 
ATOM   258  C CA  . LEU   A 1 31  ? -1.278  -10.682 -17.272 1.00 50.75  ? 74  LEU   A CA  1 
ATOM   259  C C   . LEU   A 1 31  ? -1.452  -11.252 -15.849 1.00 49.28  ? 74  LEU   A C   1 
ATOM   260  O O   . LEU   A 1 31  ? -2.600  -11.419 -15.416 1.00 47.62  ? 74  LEU   A O   1 
ATOM   261  C CB  . LEU   A 1 31  ? -1.657  -9.200  -17.313 1.00 50.23  ? 74  LEU   A CB  1 
ATOM   262  C CG  . LEU   A 1 31  ? -1.443  -8.494  -18.663 1.00 51.14  ? 74  LEU   A CG  1 
ATOM   263  C CD1 . LEU   A 1 31  ? -1.969  -7.066  -18.597 1.00 50.81  ? 74  LEU   A CD1 1 
ATOM   264  C CD2 . LEU   A 1 31  ? 0.028   -8.496  -19.042 1.00 52.81  ? 74  LEU   A CD2 1 
ATOM   265  N N   . ASP   A 1 32  ? -0.344  -11.542 -15.170 1.00 49.91  ? 75  ASP   A N   1 
ATOM   266  C CA  . ASP   A 1 32  ? -0.337  -11.784 -13.688 1.00 49.73  ? 75  ASP   A CA  1 
ATOM   267  C C   . ASP   A 1 32  ? -0.424  -10.403 -12.899 1.00 48.02  ? 75  ASP   A C   1 
ATOM   268  O O   . ASP   A 1 32  ? 0.531   -9.591  -12.713 1.00 50.05  ? 75  ASP   A O   1 
ATOM   269  C CB  . ASP   A 1 32  ? 0.940   -12.477 -13.212 1.00 52.36  ? 75  ASP   A CB  1 
ATOM   270  C CG  . ASP   A 1 32  ? 1.051   -13.904 -13.712 1.00 53.94  ? 75  ASP   A CG  1 
ATOM   271  O OD1 . ASP   A 1 32  ? 0.017   -14.442 -14.167 1.00 54.73  ? 75  ASP   A OD1 1 
ATOM   272  O OD2 . ASP   A 1 32  ? 2.162   -14.456 -13.652 1.00 57.12  ? 75  ASP   A OD2 1 
ATOM   273  N N   . VAL   A 1 33  ? -1.571  -10.383 -12.109 1.00 44.91  ? 76  VAL   A N   1 
ATOM   274  C CA  . VAL   A 1 33  ? -1.914  -9.125  -11.383 1.00 43.83  ? 76  VAL   A CA  1 
ATOM   275  C C   . VAL   A 1 33  ? -2.271  -9.419  -9.903  1.00 42.58  ? 76  VAL   A C   1 
ATOM   276  O O   . VAL   A 1 33  ? -2.632  -10.584 -9.528  1.00 41.62  ? 76  VAL   A O   1 
ATOM   277  C CB  . VAL   A 1 33  ? -2.996  -8.307  -12.132 1.00 42.91  ? 76  VAL   A CB  1 
ATOM   278  C CG1 . VAL   A 1 33  ? -2.734  -8.203  -13.632 1.00 43.38  ? 76  VAL   A CG1 1 
ATOM   279  C CG2 . VAL   A 1 33  ? -4.394  -8.849  -11.909 1.00 41.68  ? 76  VAL   A CG2 1 
ATOM   280  N N   . ALA   A 1 34  ? -2.179  -8.361  -9.090  1.00 41.95  ? 77  ALA   A N   1 
ATOM   281  C CA  . ALA   A 1 34  ? -2.527  -8.332  -7.649  1.00 41.29  ? 77  ALA   A CA  1 
ATOM   282  C C   . ALA   A 1 34  ? -3.484  -7.175  -7.415  1.00 39.90  ? 77  ALA   A C   1 
ATOM   283  O O   . ALA   A 1 34  ? -3.331  -6.125  -8.034  1.00 40.05  ? 77  ALA   A O   1 
ATOM   284  C CB  . ALA   A 1 34  ? -1.284  -8.185  -6.828  1.00 42.91  ? 77  ALA   A CB  1 
ATOM   285  N N   . LEU   A 1 35  ? -4.457  -7.368  -6.541  1.00 38.63  ? 78  LEU   A N   1 
ATOM   286  C CA  . LEU   A 1 35  ? -5.473  -6.353  -6.248  1.00 37.76  ? 78  LEU   A CA  1 
ATOM   287  C C   . LEU   A 1 35  ? -5.324  -6.015  -4.754  1.00 38.40  ? 78  LEU   A C   1 
ATOM   288  O O   . LEU   A 1 35  ? -5.348  -6.995  -3.955  1.00 38.63  ? 78  LEU   A O   1 
ATOM   289  C CB  . LEU   A 1 35  ? -6.828  -6.971  -6.624  1.00 36.25  ? 78  LEU   A CB  1 
ATOM   290  C CG  . LEU   A 1 35  ? -8.065  -6.165  -6.233  1.00 35.37  ? 78  LEU   A CG  1 
ATOM   291  C CD1 . LEU   A 1 35  ? -8.167  -4.876  -7.041  1.00 35.19  ? 78  LEU   A CD1 1 
ATOM   292  C CD2 . LEU   A 1 35  ? -9.327  -7.012  -6.393  1.00 34.09  ? 78  LEU   A CD2 1 
ATOM   293  N N   . ASP   A 1 36  ? -5.034  -4.749  -4.429  1.00 38.91  ? 79  ASP   A N   1 
ATOM   294  C CA  . ASP   A 1 36  ? -4.789  -4.311  -3.022  1.00 39.92  ? 79  ASP   A CA  1 
ATOM   295  C C   . ASP   A 1 36  ? -6.113  -3.872  -2.392  1.00 38.99  ? 79  ASP   A C   1 
ATOM   296  O O   . ASP   A 1 36  ? -7.159  -3.825  -3.065  1.00 36.96  ? 79  ASP   A O   1 
ATOM   297  C CB  . ASP   A 1 36  ? -3.722  -3.217  -2.940  1.00 41.67  ? 79  ASP   A CB  1 
ATOM   298  C CG  . ASP   A 1 36  ? -4.121  -1.845  -3.516  1.00 41.65  ? 79  ASP   A CG  1 
ATOM   299  O OD1 . ASP   A 1 36  ? -5.322  -1.611  -3.700  1.00 40.57  ? 79  ASP   A OD1 1 
ATOM   300  O OD2 . ASP   A 1 36  ? -3.207  -1.012  -3.752  1.00 43.30  ? 79  ASP   A OD2 1 
ATOM   301  N N   . GLU   A 1 37  ? -6.066  -3.533  -1.099  1.00 40.11  ? 80  GLU   A N   1 
ATOM   302  C CA  . GLU   A 1 37  ? -7.295  -3.217  -0.353  1.00 39.98  ? 80  GLU   A CA  1 
ATOM   303  C C   . GLU   A 1 37  ? -7.924  -1.901  -0.847  1.00 39.38  ? 80  GLU   A C   1 
ATOM   304  O O   . GLU   A 1 37  ? -9.140  -1.722  -0.629  1.00 38.54  ? 80  GLU   A O   1 
ATOM   305  C CB  . GLU   A 1 37  ? -6.926  -3.248  1.132   1.00 41.87  ? 80  GLU   A CB  1 
ATOM   306  C CG  . GLU   A 1 37  ? -8.076  -2.929  2.069   1.00 42.36  ? 80  GLU   A CG  1 
ATOM   307  C CD  . GLU   A 1 37  ? -7.649  -2.896  3.532   1.00 44.52  ? 80  GLU   A CD  1 
ATOM   308  O OE1 . GLU   A 1 37  ? -7.431  -1.785  4.075   1.00 46.34  ? 80  GLU   A OE1 1 
ATOM   309  O OE2 . GLU   A 1 37  ? -7.471  -3.994  4.120   1.00 46.09  ? 80  GLU   A OE2 1 
ATOM   310  N N   . SER   A 1 38  ? -7.154  -1.002  -1.464  1.00 40.44  ? 81  SER   A N   1 
ATOM   311  C CA  . SER   A 1 38  ? -7.653  0.281   -2.033  1.00 40.58  ? 81  SER   A CA  1 
ATOM   312  C C   . SER   A 1 38  ? -8.244  0.048   -3.439  1.00 39.43  ? 81  SER   A C   1 
ATOM   313  O O   . SER   A 1 38  ? -8.656  1.036   -4.078  1.00 39.62  ? 81  SER   A O   1 
ATOM   314  C CB  . SER   A 1 38  ? -6.566  1.304   -2.080  1.00 42.49  ? 81  SER   A CB  1 
ATOM   315  O OG  . SER   A 1 38  ? -6.040  1.522   -0.781  1.00 44.36  ? 81  SER   A OG  1 
ATOM   316  N N   . GLY   A 1 39  ? -8.342  -1.210  -3.873  1.00 38.53  ? 82  GLY   A N   1 
ATOM   317  C CA  . GLY   A 1 39  ? -8.958  -1.564  -5.169  1.00 37.66  ? 82  GLY   A CA  1 
ATOM   318  C C   . GLY   A 1 39  ? -8.095  -1.136  -6.346  1.00 38.47  ? 82  GLY   A C   1 
ATOM   319  O O   . GLY   A 1 39  ? -8.697  -0.847  -7.386  1.00 37.35  ? 82  GLY   A O   1 
ATOM   320  N N   . ASP   A 1 40  ? -6.763  -1.096  -6.173  1.00 40.20  ? 83  ASP   A N   1 
ATOM   321  C CA  . ASP   A 1 40  ? -5.791  -0.799  -7.267  1.00 41.92  ? 83  ASP   A CA  1 
ATOM   322  C C   . ASP   A 1 40  ? -5.143  -2.106  -7.726  1.00 42.02  ? 83  ASP   A C   1 
ATOM   323  O O   . ASP   A 1 40  ? -4.571  -2.848  -6.854  1.00 42.44  ? 83  ASP   A O   1 
ATOM   324  C CB  . ASP   A 1 40  ? -4.769  0.255   -6.829  1.00 44.33  ? 83  ASP   A CB  1 
ATOM   325  C CG  . ASP   A 1 40  ? -5.420  1.578   -6.468  1.00 45.21  ? 83  ASP   A CG  1 
ATOM   326  O OD1 . ASP   A 1 40  ? -6.461  1.908   -7.072  1.00 45.06  ? 83  ASP   A OD1 1 
ATOM   327  O OD2 . ASP   A 1 40  ? -4.932  2.240   -5.530  1.00 47.72  ? 83  ASP   A OD2 1 
ATOM   328  N N   . PHE   A 1 41  ? -5.210  -2.382  -9.045  1.00 41.86  ? 84  PHE   A N   1 
ATOM   329  C CA  . PHE   A 1 41  ? -4.489  -3.536  -9.640  1.00 42.31  ? 84  PHE   A CA  1 
ATOM   330  C C   . PHE   A 1 41  ? -3.008  -3.133  -9.828  1.00 44.44  ? 84  PHE   A C   1 
ATOM   331  O O   . PHE   A 1 41  ? -2.711  -1.909  -9.995  1.00 45.60  ? 84  PHE   A O   1 
ATOM   332  C CB  . PHE   A 1 41  ? -5.110  -3.951  -10.991 1.00 41.21  ? 84  PHE   A CB  1 
ATOM   333  C CG  . PHE   A 1 41  ? -6.463  -4.677  -11.011 1.00 39.69  ? 84  PHE   A CG  1 
ATOM   334  C CD1 . PHE   A 1 41  ? -6.551  -6.013  -10.839 1.00 39.13  ? 84  PHE   A CD1 1 
ATOM   335  C CD2 . PHE   A 1 41  ? -7.623  -3.993  -11.339 1.00 38.67  ? 84  PHE   A CD2 1 
ATOM   336  C CE1 . PHE   A 1 41  ? -7.794  -6.647  -10.772 1.00 38.06  ? 84  PHE   A CE1 1 
ATOM   337  C CE2 . PHE   A 1 41  ? -8.848  -4.667  -11.375 1.00 37.62  ? 84  PHE   A CE2 1 
ATOM   338  C CZ  . PHE   A 1 41  ? -8.933  -5.988  -11.133 1.00 37.08  ? 84  PHE   A CZ  1 
ATOM   339  N N   . SER   A 1 42  ? -2.113  -4.124  -9.736  1.00 45.47  ? 85  SER   A N   1 
ATOM   340  C CA  . SER   A 1 42  ? -0.678  -3.927  -10.015 1.00 47.93  ? 85  SER   A CA  1 
ATOM   341  C C   . SER   A 1 42  ? -0.148  -5.171  -10.770 1.00 49.01  ? 85  SER   A C   1 
ATOM   342  O O   . SER   A 1 42  ? -0.778  -6.347  -10.702 1.00 47.67  ? 85  SER   A O   1 
ATOM   343  C CB  . SER   A 1 42  ? 0.089   -3.649  -8.756  1.00 49.30  ? 85  SER   A CB  1 
ATOM   344  O OG  . SER   A 1 42  ? -0.005  -4.741  -7.843  1.00 48.62  ? 85  SER   A OG  1 
ATOM   345  N N   . LEU   A 1 43  ? 0.928   -4.893  -11.590 1.00 52.06  ? 86  LEU   A N   1 
ATOM   346  C CA  . LEU   A 1 43  ? 1.608   -6.029  -12.261 1.00 54.05  ? 86  LEU   A CA  1 
ATOM   347  C C   . LEU   A 1 43  ? 2.490   -6.757  -11.253 1.00 55.99  ? 86  LEU   A C   1 
ATOM   348  O O   . LEU   A 1 43  ? 3.416   -6.132  -10.716 1.00 57.18  ? 86  LEU   A O   1 
ATOM   349  C CB  . LEU   A 1 43  ? 2.438   -5.530  -13.443 1.00 56.43  ? 86  LEU   A CB  1 
ATOM   350  C CG  . LEU   A 1 43  ? 1.628   -5.177  -14.684 1.00 56.38  ? 86  LEU   A CG  1 
ATOM   351  C CD1 . LEU   A 1 43  ? 2.567   -4.852  -15.830 1.00 58.46  ? 86  LEU   A CD1 1 
ATOM   352  C CD2 . LEU   A 1 43  ? 0.705   -6.324  -15.075 1.00 55.37  ? 86  LEU   A CD2 1 
ATOM   353  N N   . VAL   A 1 44  ? 2.194   -8.036  -11.040 1.00 57.51  ? 87  VAL   A N   1 
ATOM   354  C CA  . VAL   A 1 44  ? 3.065   -9.037  -10.354 1.00 60.52  ? 87  VAL   A CA  1 
ATOM   355  C C   . VAL   A 1 44  ? 4.068   -9.510  -11.397 1.00 65.11  ? 87  VAL   A C   1 
ATOM   356  O O   . VAL   A 1 44  ? 3.676   -10.324 -12.246 1.00 66.19  ? 87  VAL   A O   1 
ATOM   357  C CB  . VAL   A 1 44  ? 2.240   -10.241 -9.873  1.00 58.49  ? 87  VAL   A CB  1 
ATOM   358  C CG1 . VAL   A 1 44  ? 3.129   -11.356 -9.335  1.00 59.73  ? 87  VAL   A CG1 1 
ATOM   359  C CG2 . VAL   A 1 44  ? 1.166   -9.824  -8.888  1.00 56.97  ? 87  VAL   A CG2 1 
ATOM   360  N N   . GLU   A 1 45  ? 5.284   -8.991  -11.408 1.00 70.48  ? 88  GLU   A N   1 
ATOM   361  C CA  . GLU   A 1 45  ? 6.194   -9.256  -12.550 1.00 74.48  ? 88  GLU   A CA  1 
ATOM   362  C C   . GLU   A 1 45  ? 7.176   -10.374 -12.174 1.00 76.72  ? 88  GLU   A C   1 
ATOM   363  O O   . GLU   A 1 45  ? 6.928   -11.538 -12.567 1.00 76.73  ? 88  GLU   A O   1 
ATOM   364  C CB  . GLU   A 1 45  ? 6.860   -7.954  -12.985 1.00 78.38  ? 88  GLU   A CB  1 
ATOM   365  C CG  . GLU   A 1 45  ? 6.075   -7.199  -14.048 1.00 78.82  ? 88  GLU   A CG  1 
ATOM   366  C CD  . GLU   A 1 45  ? 6.162   -7.776  -15.453 1.00 79.80  ? 88  GLU   A CD  1 
ATOM   367  O OE1 . GLU   A 1 45  ? 6.616   -8.933  -15.598 1.00 80.87  ? 88  GLU   A OE1 1 
ATOM   368  O OE2 . GLU   A 1 45  ? 5.774   -7.055  -16.406 1.00 82.63  ? 88  GLU   A OE2 1 
ATOM   369  N N   . GLY   B 2 7   ? -36.337 12.502  -11.940 1.00 49.85  ? 16  GLY   B N   1 
ATOM   370  C CA  . GLY   B 2 7   ? -35.202 12.308  -12.924 1.00 49.96  ? 16  GLY   B CA  1 
ATOM   371  C C   . GLY   B 2 7   ? -35.515 11.299  -14.030 1.00 49.42  ? 16  GLY   B C   1 
ATOM   372  O O   . GLY   B 2 7   ? -36.603 10.652  -14.010 1.00 50.72  ? 16  GLY   B O   1 
ATOM   373  N N   . GLU   B 2 8   ? -34.587 11.164  -14.979 1.00 48.14  ? 17  GLU   B N   1 
ATOM   374  C CA  . GLU   B 2 8   ? -34.681 10.170  -16.077 1.00 46.25  ? 17  GLU   B CA  1 
ATOM   375  C C   . GLU   B 2 8   ? -34.282 8.791   -15.534 1.00 44.18  ? 17  GLU   B C   1 
ATOM   376  O O   . GLU   B 2 8   ? -33.173 8.638   -14.977 1.00 43.71  ? 17  GLU   B O   1 
ATOM   377  C CB  . GLU   B 2 8   ? -33.779 10.547  -17.250 1.00 48.30  ? 17  GLU   B CB  1 
ATOM   378  C CG  . GLU   B 2 8   ? -34.159 9.819   -18.515 1.00 49.47  ? 17  GLU   B CG  1 
ATOM   379  C CD  . GLU   B 2 8   ? -33.347 10.256  -19.734 1.00 51.64  ? 17  GLU   B CD  1 
ATOM   380  O OE1 . GLU   B 2 8   ? -32.290 11.041  -19.542 1.00 52.47  ? 17  GLU   B OE1 1 
ATOM   381  O OE2 . GLU   B 2 8   ? -33.789 9.817   -20.875 1.00 54.05  ? 17  GLU   B OE2 1 
ATOM   382  N N   A THR   B 2 9   ? -35.146 7.790   -15.705 0.25 43.92  ? 18  THR   B N   1 
ATOM   383  N N   B THR   B 2 9   ? -35.186 7.816   -15.694 0.25 43.89  ? 18  THR   B N   1 
ATOM   384  N N   C THR   B 2 9   ? -35.187 7.817   -15.691 0.16 43.89  ? 18  THR   B N   1 
ATOM   385  N N   D THR   B 2 9   ? -35.187 7.817   -15.691 0.16 43.89  ? 18  THR   B N   1 
ATOM   386  N N   E THR   B 2 9   ? -35.187 7.817   -15.691 0.16 43.89  ? 18  THR   B N   1 
ATOM   387  C CA  A THR   B 2 9   ? -34.938 6.427   -15.152 0.25 43.30  ? 18  THR   B CA  1 
ATOM   388  C CA  B THR   B 2 9   ? -35.086 6.448   -15.122 0.25 43.24  ? 18  THR   B CA  1 
ATOM   389  C CA  C THR   B 2 9   ? -35.085 6.447   -15.121 0.16 43.22  ? 18  THR   B CA  1 
ATOM   390  C CA  D THR   B 2 9   ? -35.085 6.447   -15.121 0.16 43.22  ? 18  THR   B CA  1 
ATOM   391  C CA  E THR   B 2 9   ? -35.085 6.447   -15.121 0.16 43.22  ? 18  THR   B CA  1 
ATOM   392  C C   A THR   B 2 9   ? -35.177 5.372   -16.230 0.25 42.79  ? 18  THR   B C   1 
ATOM   393  C C   B THR   B 2 9   ? -34.951 5.397   -16.229 0.25 42.75  ? 18  THR   B C   1 
ATOM   394  C C   C THR   B 2 9   ? -34.952 5.396   -16.229 0.16 42.75  ? 18  THR   B C   1 
ATOM   395  C C   D THR   B 2 9   ? -34.952 5.396   -16.229 0.16 42.75  ? 18  THR   B C   1 
ATOM   396  C C   E THR   B 2 9   ? -34.952 5.396   -16.229 0.16 42.75  ? 18  THR   B C   1 
ATOM   397  O O   A THR   B 2 9   ? -35.417 4.206   -15.861 0.25 42.67  ? 18  THR   B O   1 
ATOM   398  O O   B THR   B 2 9   ? -34.650 4.242   -15.875 0.25 42.72  ? 18  THR   B O   1 
ATOM   399  O O   C THR   B 2 9   ? -34.658 4.236   -15.877 0.16 42.73  ? 18  THR   B O   1 
ATOM   400  O O   D THR   B 2 9   ? -34.658 4.236   -15.877 0.16 42.73  ? 18  THR   B O   1 
ATOM   401  O O   E THR   B 2 9   ? -34.658 4.236   -15.877 0.16 42.73  ? 18  THR   B O   1 
ATOM   402  C CB  A THR   B 2 9   ? -35.841 6.211   -13.937 0.25 43.45  ? 18  THR   B CB  1 
ATOM   403  C CB  B THR   B 2 9   ? -36.292 6.135   -14.224 0.25 43.42  ? 18  THR   B CB  1 
ATOM   404  C CB  C THR   B 2 9   ? -36.291 6.133   -14.225 0.16 43.42  ? 18  THR   B CB  1 
ATOM   405  C CB  D THR   B 2 9   ? -36.291 6.133   -14.225 0.16 43.42  ? 18  THR   B CB  1 
ATOM   406  C CB  E THR   B 2 9   ? -36.291 6.133   -14.225 0.16 43.42  ? 18  THR   B CB  1 
ATOM   407  O OG1 A THR   B 2 9   ? -35.861 7.472   -13.271 0.25 43.93  ? 18  THR   B OG1 1 
ATOM   408  O OG1 B THR   B 2 9   ? -37.505 6.430   -14.916 0.25 44.17  ? 18  THR   B OG1 1 
ATOM   409  O OG1 C THR   B 2 9   ? -37.500 6.419   -14.928 0.16 44.14  ? 18  THR   B OG1 1 
ATOM   410  O OG1 D THR   B 2 9   ? -37.500 6.419   -14.928 0.16 44.14  ? 18  THR   B OG1 1 
ATOM   411  O OG1 E THR   B 2 9   ? -37.500 6.419   -14.928 0.16 44.14  ? 18  THR   B OG1 1 
ATOM   412  C CG2 A THR   B 2 9   ? -35.355 5.112   -13.017 0.25 43.33  ? 18  THR   B CG2 1 
ATOM   413  C CG2 B THR   B 2 9   ? -36.287 6.928   -12.938 0.25 43.40  ? 18  THR   B CG2 1 
ATOM   414  C CG2 C THR   B 2 9   ? -36.290 6.928   -12.940 0.16 43.34  ? 18  THR   B CG2 1 
ATOM   415  C CG2 D THR   B 2 9   ? -36.290 6.928   -12.940 0.16 43.34  ? 18  THR   B CG2 1 
ATOM   416  C CG2 E THR   B 2 9   ? -36.290 6.928   -12.940 0.16 43.34  ? 18  THR   B CG2 1 
ATOM   417  N N   . THR   B 2 10  ? -35.138 5.771   -17.503 1.00 42.74  ? 19  THR   B N   1 
ATOM   418  C CA  . THR   B 2 10  ? -35.129 4.809   -18.621 1.00 40.97  ? 19  THR   B CA  1 
ATOM   419  C C   . THR   B 2 10  ? -33.768 4.053   -18.559 1.00 39.06  ? 19  THR   B C   1 
ATOM   420  O O   . THR   B 2 10  ? -32.717 4.687   -18.235 1.00 39.21  ? 19  THR   B O   1 
ATOM   421  C CB  . THR   B 2 10  ? -35.299 5.513   -19.982 1.00 41.38  ? 19  THR   B CB  1 
ATOM   422  O OG1 . THR   B 2 10  ? -36.340 6.490   -19.937 1.00 41.93  ? 19  THR   B OG1 1 
ATOM   423  C CG2 . THR   B 2 10  ? -35.645 4.520   -21.057 1.00 42.11  ? 19  THR   B CG2 1 
ATOM   424  N N   A ASP   B 2 11  ? -33.820 2.728   -18.743 0.25 38.92  ? 20  ASP   B N   1 
ATOM   425  N N   B ASP   B 2 11  ? -33.820 2.728   -18.743 0.25 38.92  ? 20  ASP   B N   1 
ATOM   426  N N   C ASP   B 2 11  ? -33.823 2.725   -18.768 0.16 38.96  ? 20  ASP   B N   1 
ATOM   427  N N   D ASP   B 2 11  ? -33.823 2.725   -18.768 0.17 38.96  ? 20  ASP   B N   1 
ATOM   428  N N   E ASP   B 2 11  ? -33.823 2.725   -18.768 0.17 38.96  ? 20  ASP   B N   1 
ATOM   429  C CA  A ASP   B 2 11  ? -32.614 1.874   -18.960 0.25 38.55  ? 20  ASP   B CA  1 
ATOM   430  C CA  B ASP   B 2 11  ? -32.614 1.874   -18.960 0.25 38.55  ? 20  ASP   B CA  1 
ATOM   431  C CA  C ASP   B 2 11  ? -32.613 1.878   -18.978 0.16 38.54  ? 20  ASP   B CA  1 
ATOM   432  C CA  D ASP   B 2 11  ? -32.613 1.878   -18.978 0.17 38.54  ? 20  ASP   B CA  1 
ATOM   433  C CA  E ASP   B 2 11  ? -32.613 1.878   -18.978 0.17 38.54  ? 20  ASP   B CA  1 
ATOM   434  C C   A ASP   B 2 11  ? -31.725 2.569   -20.021 0.25 38.51  ? 20  ASP   B C   1 
ATOM   435  C C   B ASP   B 2 11  ? -31.725 2.569   -20.021 0.25 38.51  ? 20  ASP   B C   1 
ATOM   436  C C   C ASP   B 2 11  ? -31.705 2.575   -20.005 0.16 38.42  ? 20  ASP   B C   1 
ATOM   437  C C   D ASP   B 2 11  ? -31.705 2.575   -20.005 0.17 38.42  ? 20  ASP   B C   1 
ATOM   438  C C   E ASP   B 2 11  ? -31.705 2.575   -20.005 0.17 38.42  ? 20  ASP   B C   1 
ATOM   439  O O   A ASP   B 2 11  ? -32.311 3.389   -20.892 0.25 38.76  ? 20  ASP   B O   1 
ATOM   440  O O   B ASP   B 2 11  ? -32.311 3.389   -20.892 0.25 38.76  ? 20  ASP   B O   1 
ATOM   441  O O   C ASP   B 2 11  ? -32.262 3.388   -20.869 0.16 38.57  ? 20  ASP   B O   1 
ATOM   442  O O   D ASP   B 2 11  ? -32.262 3.388   -20.869 0.17 38.57  ? 20  ASP   B O   1 
ATOM   443  O O   E ASP   B 2 11  ? -32.262 3.388   -20.869 0.17 38.57  ? 20  ASP   B O   1 
ATOM   444  C CB  A ASP   B 2 11  ? -32.985 0.445   -19.395 0.25 39.05  ? 20  ASP   B CB  1 
ATOM   445  C CB  B ASP   B 2 11  ? -32.985 0.445   -19.395 0.25 39.05  ? 20  ASP   B CB  1 
ATOM   446  C CB  C ASP   B 2 11  ? -32.959 0.462   -19.463 0.16 39.05  ? 20  ASP   B CB  1 
ATOM   447  C CB  D ASP   B 2 11  ? -32.959 0.462   -19.463 0.17 39.05  ? 20  ASP   B CB  1 
ATOM   448  C CB  E ASP   B 2 11  ? -32.959 0.462   -19.463 0.17 39.05  ? 20  ASP   B CB  1 
ATOM   449  C CG  A ASP   B 2 11  ? -33.766 -0.355  -18.356 0.25 39.06  ? 20  ASP   B CG  1 
ATOM   450  C CG  B ASP   B 2 11  ? -33.766 -0.355  -18.356 0.25 39.06  ? 20  ASP   B CG  1 
ATOM   451  C CG  C ASP   B 2 11  ? -33.252 -0.537  -18.350 0.16 38.91  ? 20  ASP   B CG  1 
ATOM   452  C CG  D ASP   B 2 11  ? -33.252 -0.537  -18.350 0.17 38.91  ? 20  ASP   B CG  1 
ATOM   453  C CG  E ASP   B 2 11  ? -33.252 -0.537  -18.350 0.17 38.91  ? 20  ASP   B CG  1 
ATOM   454  O OD1 A ASP   B 2 11  ? -33.861 0.117   -17.209 0.25 38.30  ? 20  ASP   B OD1 1 
ATOM   455  O OD1 B ASP   B 2 11  ? -33.861 0.117   -17.209 0.25 38.30  ? 20  ASP   B OD1 1 
ATOM   456  O OD1 C ASP   B 2 11  ? -33.804 -0.081  -17.276 0.16 38.47  ? 20  ASP   B OD1 1 
ATOM   457  O OD1 D ASP   B 2 11  ? -33.804 -0.081  -17.276 0.17 38.47  ? 20  ASP   B OD1 1 
ATOM   458  O OD1 E ASP   B 2 11  ? -33.804 -0.081  -17.276 0.17 38.47  ? 20  ASP   B OD1 1 
ATOM   459  O OD2 A ASP   B 2 11  ? -34.277 -1.449  -18.709 0.25 39.39  ? 20  ASP   B OD2 1 
ATOM   460  O OD2 B ASP   B 2 11  ? -34.277 -1.449  -18.709 0.25 39.39  ? 20  ASP   B OD2 1 
ATOM   461  O OD2 C ASP   B 2 11  ? -32.928 -1.762  -18.566 0.16 39.04  ? 20  ASP   B OD2 1 
ATOM   462  O OD2 D ASP   B 2 11  ? -32.928 -1.762  -18.566 0.17 39.04  ? 20  ASP   B OD2 1 
ATOM   463  O OD2 E ASP   B 2 11  ? -32.928 -1.762  -18.566 0.17 39.04  ? 20  ASP   B OD2 1 
ATOM   464  N N   . GLY   B 2 12  ? -30.368 2.279   -19.905 1.00 37.94  ? 21  GLY   B N   1 
ATOM   465  C CA  . GLY   B 2 12  ? -29.392 2.777   -20.901 1.00 37.19  ? 21  GLY   B CA  1 
ATOM   466  C C   . GLY   B 2 12  ? -28.098 3.213   -20.264 1.00 35.93  ? 21  GLY   B C   1 
ATOM   467  O O   . GLY   B 2 12  ? -27.903 3.019   -19.025 1.00 34.81  ? 21  GLY   B O   1 
ATOM   468  N N   A VAL   B 2 13  ? -27.207 3.783   -21.080 0.25 35.62  ? 22  VAL   B N   1 
ATOM   469  N N   B VAL   B 2 13  ? -27.207 3.783   -21.080 0.25 35.62  ? 22  VAL   B N   1 
ATOM   470  N N   C VAL   B 2 13  ? -27.215 3.804   -21.072 0.16 35.85  ? 22  VAL   B N   1 
ATOM   471  N N   D VAL   B 2 13  ? -27.215 3.804   -21.072 0.17 35.85  ? 22  VAL   B N   1 
ATOM   472  N N   E VAL   B 2 13  ? -27.215 3.804   -21.072 0.17 35.85  ? 22  VAL   B N   1 
ATOM   473  C CA  A VAL   B 2 13  ? -25.830 4.219   -20.700 0.25 35.12  ? 22  VAL   B CA  1 
ATOM   474  C CA  B VAL   B 2 13  ? -25.830 4.219   -20.700 0.25 35.12  ? 22  VAL   B CA  1 
ATOM   475  C CA  C VAL   B 2 13  ? -25.909 4.368   -20.625 0.16 35.43  ? 22  VAL   B CA  1 
ATOM   476  C CA  D VAL   B 2 13  ? -25.909 4.368   -20.625 0.17 35.43  ? 22  VAL   B CA  1 
ATOM   477  C CA  E VAL   B 2 13  ? -25.909 4.368   -20.625 0.17 35.43  ? 22  VAL   B CA  1 
ATOM   478  C C   A VAL   B 2 13  ? -25.820 5.749   -20.588 0.25 34.97  ? 22  VAL   B C   1 
ATOM   479  C C   B VAL   B 2 13  ? -25.820 5.749   -20.588 0.25 34.97  ? 22  VAL   B C   1 
ATOM   480  C C   C VAL   B 2 13  ? -26.077 5.874   -20.403 0.16 35.28  ? 22  VAL   B C   1 
ATOM   481  C C   D VAL   B 2 13  ? -26.077 5.874   -20.403 0.17 35.28  ? 22  VAL   B C   1 
ATOM   482  C C   E VAL   B 2 13  ? -26.077 5.874   -20.403 0.17 35.28  ? 22  VAL   B C   1 
ATOM   483  O O   A VAL   B 2 13  ? -26.354 6.446   -21.509 0.25 35.36  ? 22  VAL   B O   1 
ATOM   484  O O   B VAL   B 2 13  ? -26.354 6.446   -21.509 0.25 35.36  ? 22  VAL   B O   1 
ATOM   485  O O   C VAL   B 2 13  ? -26.908 6.507   -21.101 0.16 35.50  ? 22  VAL   B O   1 
ATOM   486  O O   D VAL   B 2 13  ? -26.908 6.507   -21.101 0.17 35.50  ? 22  VAL   B O   1 
ATOM   487  O O   E VAL   B 2 13  ? -26.908 6.507   -21.101 0.17 35.50  ? 22  VAL   B O   1 
ATOM   488  C CB  A VAL   B 2 13  ? -24.795 3.676   -21.710 0.25 35.50  ? 22  VAL   B CB  1 
ATOM   489  C CB  B VAL   B 2 13  ? -24.795 3.676   -21.710 0.25 35.50  ? 22  VAL   B CB  1 
ATOM   490  C CB  C VAL   B 2 13  ? -24.780 4.038   -21.623 0.16 35.87  ? 22  VAL   B CB  1 
ATOM   491  C CB  D VAL   B 2 13  ? -24.780 4.038   -21.623 0.17 35.87  ? 22  VAL   B CB  1 
ATOM   492  C CB  E VAL   B 2 13  ? -24.780 4.038   -21.623 0.17 35.87  ? 22  VAL   B CB  1 
ATOM   493  C CG1 A VAL   B 2 13  ? -24.906 4.354   -23.074 0.25 36.14  ? 22  VAL   B CG1 1 
ATOM   494  C CG1 B VAL   B 2 13  ? -24.906 4.354   -23.074 0.25 36.14  ? 22  VAL   B CG1 1 
ATOM   495  C CG1 C VAL   B 2 13  ? -25.028 4.653   -22.998 0.16 36.53  ? 22  VAL   B CG1 1 
ATOM   496  C CG1 D VAL   B 2 13  ? -25.028 4.653   -22.998 0.17 36.53  ? 22  VAL   B CG1 1 
ATOM   497  C CG1 E VAL   B 2 13  ? -25.028 4.653   -22.998 0.17 36.53  ? 22  VAL   B CG1 1 
ATOM   498  C CG2 A VAL   B 2 13  ? -23.365 3.746   -21.199 0.25 35.22  ? 22  VAL   B CG2 1 
ATOM   499  C CG2 B VAL   B 2 13  ? -23.365 3.746   -21.199 0.25 35.22  ? 22  VAL   B CG2 1 
ATOM   500  C CG2 C VAL   B 2 13  ? -23.416 4.440   -21.088 0.16 35.65  ? 22  VAL   B CG2 1 
ATOM   501  C CG2 D VAL   B 2 13  ? -23.416 4.440   -21.088 0.17 35.65  ? 22  VAL   B CG2 1 
ATOM   502  C CG2 E VAL   B 2 13  ? -23.416 4.440   -21.088 0.17 35.65  ? 22  VAL   B CG2 1 
ATOM   503  N N   A TYR   B 2 14  ? -25.283 6.258   -19.473 0.25 34.35  ? 23  TYR   B N   1 
ATOM   504  N N   B TYR   B 2 14  ? -25.283 6.258   -19.473 0.25 34.35  ? 23  TYR   B N   1 
ATOM   505  N N   C TYR   B 2 14  ? -25.329 6.404   -19.434 0.16 34.72  ? 23  TYR   B N   1 
ATOM   506  N N   D TYR   B 2 14  ? -25.329 6.404   -19.434 0.17 34.72  ? 23  TYR   B N   1 
ATOM   507  N N   E TYR   B 2 14  ? -25.329 6.404   -19.434 0.17 34.72  ? 23  TYR   B N   1 
ATOM   508  C CA  A TYR   B 2 14  ? -25.278 7.695   -19.093 0.25 34.41  ? 23  TYR   B CA  1 
ATOM   509  C CA  B TYR   B 2 14  ? -25.278 7.695   -19.093 0.25 34.41  ? 23  TYR   B CA  1 
ATOM   510  C CA  C TYR   B 2 14  ? -25.396 7.805   -18.947 0.16 34.72  ? 23  TYR   B CA  1 
ATOM   511  C CA  D TYR   B 2 14  ? -25.396 7.805   -18.947 0.17 34.72  ? 23  TYR   B CA  1 
ATOM   512  C CA  E TYR   B 2 14  ? -25.396 7.805   -18.947 0.17 34.72  ? 23  TYR   B CA  1 
ATOM   513  C C   A TYR   B 2 14  ? -23.789 8.170   -19.028 0.25 34.56  ? 23  TYR   B C   1 
ATOM   514  C C   B TYR   B 2 14  ? -23.789 8.170   -19.028 0.25 34.56  ? 23  TYR   B C   1 
ATOM   515  C C   C TYR   B 2 14  ? -23.942 8.288   -18.621 0.16 34.65  ? 23  TYR   B C   1 
ATOM   516  C C   D TYR   B 2 14  ? -23.942 8.288   -18.621 0.17 34.65  ? 23  TYR   B C   1 
ATOM   517  C C   E TYR   B 2 14  ? -23.942 8.288   -18.621 0.17 34.65  ? 23  TYR   B C   1 
ATOM   518  O O   A TYR   B 2 14  ? -22.822 7.303   -18.635 0.25 34.38  ? 23  TYR   B O   1 
ATOM   519  O O   B TYR   B 2 14  ? -22.822 7.303   -18.635 0.25 34.38  ? 23  TYR   B O   1 
ATOM   520  O O   C TYR   B 2 14  ? -23.169 7.604   -18.185 0.16 34.56  ? 23  TYR   B O   1 
ATOM   521  O O   D TYR   B 2 14  ? -23.169 7.604   -18.185 0.17 34.56  ? 23  TYR   B O   1 
ATOM   522  O O   E TYR   B 2 14  ? -23.169 7.604   -18.185 0.17 34.56  ? 23  TYR   B O   1 
ATOM   523  C CB  A TYR   B 2 14  ? -26.098 7.892   -17.810 0.25 33.91  ? 23  TYR   B CB  1 
ATOM   524  C CB  B TYR   B 2 14  ? -26.098 7.892   -17.810 0.25 33.91  ? 23  TYR   B CB  1 
ATOM   525  C CB  C TYR   B 2 14  ? -26.265 7.908   -17.692 0.16 34.26  ? 23  TYR   B CB  1 
ATOM   526  C CB  D TYR   B 2 14  ? -26.265 7.908   -17.692 0.17 34.26  ? 23  TYR   B CB  1 
ATOM   527  C CB  E TYR   B 2 14  ? -26.265 7.908   -17.692 0.17 34.26  ? 23  TYR   B CB  1 
ATOM   528  C CG  A TYR   B 2 14  ? -27.582 7.676   -18.041 0.25 34.17  ? 23  TYR   B CG  1 
ATOM   529  C CG  B TYR   B 2 14  ? -27.582 7.676   -18.041 0.25 34.17  ? 23  TYR   B CG  1 
ATOM   530  C CG  C TYR   B 2 14  ? -27.750 7.727   -17.910 0.16 34.52  ? 23  TYR   B CG  1 
ATOM   531  C CG  D TYR   B 2 14  ? -27.750 7.727   -17.910 0.17 34.52  ? 23  TYR   B CG  1 
ATOM   532  C CG  E TYR   B 2 14  ? -27.750 7.727   -17.910 0.17 34.52  ? 23  TYR   B CG  1 
ATOM   533  C CD1 A TYR   B 2 14  ? -28.080 6.431   -18.422 0.25 34.31  ? 23  TYR   B CD1 1 
ATOM   534  C CD1 B TYR   B 2 14  ? -28.080 6.431   -18.422 0.25 34.31  ? 23  TYR   B CD1 1 
ATOM   535  C CD1 C TYR   B 2 14  ? -28.300 6.481   -18.184 0.16 34.65  ? 23  TYR   B CD1 1 
ATOM   536  C CD1 D TYR   B 2 14  ? -28.300 6.481   -18.184 0.17 34.65  ? 23  TYR   B CD1 1 
ATOM   537  C CD1 E TYR   B 2 14  ? -28.300 6.481   -18.184 0.17 34.65  ? 23  TYR   B CD1 1 
ATOM   538  C CD2 A TYR   B 2 14  ? -28.485 8.731   -17.960 0.25 34.40  ? 23  TYR   B CD2 1 
ATOM   539  C CD2 B TYR   B 2 14  ? -28.485 8.731   -17.960 0.25 34.40  ? 23  TYR   B CD2 1 
ATOM   540  C CD2 C TYR   B 2 14  ? -28.617 8.809   -17.820 0.16 34.73  ? 23  TYR   B CD2 1 
ATOM   541  C CD2 D TYR   B 2 14  ? -28.617 8.809   -17.820 0.17 34.73  ? 23  TYR   B CD2 1 
ATOM   542  C CD2 E TYR   B 2 14  ? -28.617 8.809   -17.820 0.17 34.73  ? 23  TYR   B CD2 1 
ATOM   543  C CE1 A TYR   B 2 14  ? -29.431 6.224   -18.561 0.25 34.63  ? 23  TYR   B CE1 1 
ATOM   544  C CE1 B TYR   B 2 14  ? -29.431 6.224   -18.561 0.25 34.63  ? 23  TYR   B CE1 1 
ATOM   545  C CE1 C TYR   B 2 14  ? -29.669 6.314   -18.372 0.16 35.02  ? 23  TYR   B CE1 1 
ATOM   546  C CE1 D TYR   B 2 14  ? -29.669 6.314   -18.372 0.17 35.02  ? 23  TYR   B CE1 1 
ATOM   547  C CE1 E TYR   B 2 14  ? -29.669 6.314   -18.372 0.17 35.02  ? 23  TYR   B CE1 1 
ATOM   548  C CE2 A TYR   B 2 14  ? -29.843 8.542   -18.148 0.25 34.65  ? 23  TYR   B CE2 1 
ATOM   549  C CE2 B TYR   B 2 14  ? -29.843 8.542   -18.148 0.25 34.65  ? 23  TYR   B CE2 1 
ATOM   550  C CE2 C TYR   B 2 14  ? -29.991 8.660   -17.996 0.16 35.00  ? 23  TYR   B CE2 1 
ATOM   551  C CE2 D TYR   B 2 14  ? -29.991 8.660   -17.996 0.17 35.00  ? 23  TYR   B CE2 1 
ATOM   552  C CE2 E TYR   B 2 14  ? -29.991 8.660   -17.996 0.17 35.00  ? 23  TYR   B CE2 1 
ATOM   553  C CZ  A TYR   B 2 14  ? -30.310 7.289   -18.457 0.25 34.81  ? 23  TYR   B CZ  1 
ATOM   554  C CZ  B TYR   B 2 14  ? -30.310 7.289   -18.457 0.25 34.81  ? 23  TYR   B CZ  1 
ATOM   555  C CZ  C TYR   B 2 14  ? -30.515 7.410   -18.272 0.16 35.18  ? 23  TYR   B CZ  1 
ATOM   556  C CZ  D TYR   B 2 14  ? -30.515 7.410   -18.272 0.17 35.18  ? 23  TYR   B CZ  1 
ATOM   557  C CZ  E TYR   B 2 14  ? -30.515 7.410   -18.272 0.17 35.18  ? 23  TYR   B CZ  1 
ATOM   558  O OH  A TYR   B 2 14  ? -31.631 7.065   -18.707 0.25 35.38  ? 23  TYR   B OH  1 
ATOM   559  O OH  B TYR   B 2 14  ? -31.631 7.065   -18.707 0.25 35.38  ? 23  TYR   B OH  1 
ATOM   560  O OH  C TYR   B 2 14  ? -31.861 7.270   -18.481 0.16 35.78  ? 23  TYR   B OH  1 
ATOM   561  O OH  D TYR   B 2 14  ? -31.861 7.270   -18.481 0.17 35.78  ? 23  TYR   B OH  1 
ATOM   562  O OH  E TYR   B 2 14  ? -31.861 7.270   -18.481 0.17 35.78  ? 23  TYR   B OH  1 
ATOM   563  N N   . ARG   B 2 15  ? -23.690 9.553   -19.091 1.00 34.85  ? 24  ARG   B N   1 
ATOM   564  C CA  . ARG   B 2 15  ? -22.438 10.246  -18.733 1.00 34.93  ? 24  ARG   B CA  1 
ATOM   565  C C   . ARG   B 2 15  ? -22.600 10.713  -17.275 1.00 34.32  ? 24  ARG   B C   1 
ATOM   566  O O   . ARG   B 2 15  ? -23.718 11.107  -16.907 1.00 33.94  ? 24  ARG   B O   1 
ATOM   567  C CB  . ARG   B 2 15  ? -22.211 11.437  -19.653 1.00 35.73  ? 24  ARG   B CB  1 
ATOM   568  C CG  . ARG   B 2 15  ? -22.162 11.080  -21.123 1.00 36.46  ? 24  ARG   B CG  1 
ATOM   569  C CD  . ARG   B 2 15  ? -22.148 12.416  -21.811 1.00 37.22  ? 24  ARG   B CD  1 
ATOM   570  N NE  . ARG   B 2 15  ? -22.273 12.186  -23.245 1.00 37.67  ? 24  ARG   B NE  1 
ATOM   571  C CZ  . ARG   B 2 15  ? -21.273 11.943  -24.074 1.00 38.17  ? 24  ARG   B CZ  1 
ATOM   572  N NH1 . ARG   B 2 15  ? -20.009 11.931  -23.680 1.00 37.78  ? 24  ARG   B NH1 1 
ATOM   573  N NH2 . ARG   B 2 15  ? -21.561 11.709  -25.341 1.00 38.94  ? 24  ARG   B NH2 1 
ATOM   574  N N   . VAL   B 2 16  ? -21.485 10.744  -16.544 1.00 34.64  ? 25  VAL   B N   1 
ATOM   575  C CA  . VAL   B 2 16  ? -21.394 11.363  -15.203 1.00 34.59  ? 25  VAL   B CA  1 
ATOM   576  C C   . VAL   B 2 16  ? -20.545 12.636  -15.316 1.00 35.50  ? 25  VAL   B C   1 
ATOM   577  O O   . VAL   B 2 16  ? -19.386 12.572  -15.717 1.00 35.80  ? 25  VAL   B O   1 
ATOM   578  C CB  . VAL   B 2 16  ? -20.840 10.354  -14.173 1.00 34.18  ? 25  VAL   B CB  1 
ATOM   579  C CG1 . VAL   B 2 16  ? -20.922 10.962  -12.770 1.00 34.01  ? 25  VAL   B CG1 1 
ATOM   580  C CG2 . VAL   B 2 16  ? -21.609 9.029   -14.256 1.00 33.78  ? 25  VAL   B CG2 1 
ATOM   581  N N   . MET   B 2 17  ? -21.154 13.765  -14.977 1.00 37.34  ? 26  MET   B N   1 
ATOM   582  C CA  . MET   B 2 17  ? -20.628 15.138  -15.199 1.00 39.17  ? 26  MET   B CA  1 
ATOM   583  C C   . MET   B 2 17  ? -20.447 15.839  -13.845 1.00 40.10  ? 26  MET   B C   1 
ATOM   584  O O   . MET   B 2 17  ? -21.214 15.515  -12.904 1.00 38.64  ? 26  MET   B O   1 
ATOM   585  C CB  . MET   B 2 17  ? -21.628 15.941  -16.033 1.00 40.06  ? 26  MET   B CB  1 
ATOM   586  C CG  . MET   B 2 17  ? -22.047 15.275  -17.346 1.00 40.77  ? 26  MET   B CG  1 
ATOM   587  S SD  . MET   B 2 17  ? -20.740 14.922  -18.553 1.00 41.75  ? 26  MET   B SD  1 
ATOM   588  C CE  . MET   B 2 17  ? -19.953 16.524  -18.749 1.00 43.12  ? 26  MET   B CE  1 
ATOM   589  N N   . THR   B 2 18  ? -19.497 16.772  -13.768 1.00 42.23  ? 27  THR   B N   1 
ATOM   590  C CA  . THR   B 2 18  ? -19.342 17.743  -12.652 1.00 45.45  ? 27  THR   B CA  1 
ATOM   591  C C   . THR   B 2 18  ? -19.213 19.170  -13.210 1.00 48.84  ? 27  THR   B C   1 
ATOM   592  O O   . THR   B 2 18  ? -18.628 19.337  -14.327 1.00 47.09  ? 27  THR   B O   1 
ATOM   593  C CB  . THR   B 2 18  ? -18.137 17.390  -11.769 1.00 45.33  ? 27  THR   B CB  1 
ATOM   594  O OG1 . THR   B 2 18  ? -18.198 18.247  -10.620 1.00 45.68  ? 27  THR   B OG1 1 
ATOM   595  C CG2 . THR   B 2 18  ? -16.806 17.522  -12.473 1.00 45.69  ? 27  THR   B CG2 1 
ATOM   596  N N   . ARG   B 2 19  ? -19.667 20.161  -12.433 1.00 52.58  ? 28  ARG   B N   1 
ATOM   597  C CA  . ARG   B 2 19  ? -19.377 21.592  -12.711 1.00 57.86  ? 28  ARG   B CA  1 
ATOM   598  C C   . ARG   B 2 19  ? -18.356 22.153  -11.703 1.00 59.62  ? 28  ARG   B C   1 
ATOM   599  O O   . ARG   B 2 19  ? -18.027 23.348  -11.801 1.00 59.94  ? 28  ARG   B O   1 
ATOM   600  C CB  . ARG   B 2 19  ? -20.698 22.356  -12.789 1.00 60.50  ? 28  ARG   B CB  1 
ATOM   601  C CG  . ARG   B 2 19  ? -21.529 21.914  -13.984 1.00 63.00  ? 28  ARG   B CG  1 
ATOM   602  C CD  . ARG   B 2 19  ? -22.134 23.059  -14.772 1.00 65.71  ? 28  ARG   B CD  1 
ATOM   603  N NE  . ARG   B 2 19  ? -23.150 22.612  -15.716 1.00 67.33  ? 28  ARG   B NE  1 
ATOM   604  C CZ  . ARG   B 2 19  ? -24.354 22.157  -15.378 1.00 68.41  ? 28  ARG   B CZ  1 
ATOM   605  N NH1 . ARG   B 2 19  ? -24.703 22.067  -14.104 1.00 70.37  ? 28  ARG   B NH1 1 
ATOM   606  N NH2 . ARG   B 2 19  ? -25.208 21.783  -16.317 1.00 69.20  ? 28  ARG   B NH2 1 
ATOM   607  N N   . ARG   B 2 20  ? -17.779 21.317  -10.840 1.00 62.71  ? 29  ARG   B N   1 
ATOM   608  C CA  . ARG   B 2 20  ? -16.925 21.785  -9.711  1.00 66.50  ? 29  ARG   B CA  1 
ATOM   609  C C   . ARG   B 2 20  ? -15.540 22.179  -10.245 1.00 66.43  ? 29  ARG   B C   1 
ATOM   610  O O   . ARG   B 2 20  ? -14.626 22.414  -9.422  1.00 67.70  ? 29  ARG   B O   1 
ATOM   611  C CB  . ARG   B 2 20  ? -16.825 20.699  -8.638  1.00 69.13  ? 29  ARG   B CB  1 
ATOM   612  C CG  . ARG   B 2 20  ? -16.750 21.240  -7.219  1.00 73.60  ? 29  ARG   B CG  1 
ATOM   613  C CD  . ARG   B 2 20  ? -16.380 20.142  -6.241  1.00 78.07  ? 29  ARG   B CD  1 
ATOM   614  N NE  . ARG   B 2 20  ? -15.279 19.328  -6.760  1.00 82.19  ? 29  ARG   B NE  1 
ATOM   615  C CZ  . ARG   B 2 20  ? -13.987 19.667  -6.740  1.00 85.36  ? 29  ARG   B CZ  1 
ATOM   616  N NH1 . ARG   B 2 20  ? -13.600 20.819  -6.212  1.00 86.66  ? 29  ARG   B NH1 1 
ATOM   617  N NH2 . ARG   B 2 20  ? -13.081 18.843  -7.249  1.00 85.74  ? 29  ARG   B NH2 1 
ATOM   618  N N   . LEU   B 2 21  ? -15.401 22.230  -11.571 1.00 63.94  ? 30  LEU   B N   1 
ATOM   619  C CA  . LEU   B 2 21  ? -14.129 22.455  -12.305 1.00 62.23  ? 30  LEU   B CA  1 
ATOM   620  C C   . LEU   B 2 21  ? -14.431 23.405  -13.463 1.00 60.31  ? 30  LEU   B C   1 
ATOM   621  O O   . LEU   B 2 21  ? -15.539 23.971  -13.460 1.00 59.65  ? 30  LEU   B O   1 
ATOM   622  C CB  . LEU   B 2 21  ? -13.604 21.097  -12.773 1.00 61.61  ? 30  LEU   B CB  1 
ATOM   623  C CG  . LEU   B 2 21  ? -12.391 20.544  -12.031 1.00 62.76  ? 30  LEU   B CG  1 
ATOM   624  C CD1 . LEU   B 2 21  ? -12.533 20.657  -10.519 1.00 62.80  ? 30  LEU   B CD1 1 
ATOM   625  C CD2 . LEU   B 2 21  ? -12.157 19.095  -12.426 1.00 62.55  ? 30  LEU   B CD2 1 
ATOM   626  N N   . LEU   B 2 22  ? -13.485 23.596  -14.390 1.00 59.69  ? 31  LEU   B N   1 
ATOM   627  C CA  . LEU   B 2 22  ? -13.676 24.480  -15.570 1.00 58.78  ? 31  LEU   B CA  1 
ATOM   628  C C   . LEU   B 2 22  ? -14.764 23.866  -16.453 1.00 57.47  ? 31  LEU   B C   1 
ATOM   629  O O   . LEU   B 2 22  ? -14.746 22.638  -16.578 1.00 57.55  ? 31  LEU   B O   1 
ATOM   630  C CB  . LEU   B 2 22  ? -12.353 24.594  -16.322 1.00 59.15  ? 31  LEU   B CB  1 
ATOM   631  C CG  . LEU   B 2 22  ? -12.374 25.586  -17.479 1.00 59.58  ? 31  LEU   B CG  1 
ATOM   632  C CD1 . LEU   B 2 22  ? -12.293 27.022  -16.967 1.00 59.88  ? 31  LEU   B CD1 1 
ATOM   633  C CD2 . LEU   B 2 22  ? -11.250 25.275  -18.457 1.00 59.57  ? 31  LEU   B CD2 1 
ATOM   634  N N   . GLY   B 2 23  ? -15.684 24.668  -17.005 1.00 56.30  ? 32  GLY   B N   1 
ATOM   635  C CA  . GLY   B 2 23  ? -16.820 24.178  -17.817 1.00 54.36  ? 32  GLY   B CA  1 
ATOM   636  C C   . GLY   B 2 23  ? -17.557 23.021  -17.141 1.00 52.65  ? 32  GLY   B C   1 
ATOM   637  O O   . GLY   B 2 23  ? -17.601 22.974  -15.893 1.00 52.09  ? 32  GLY   B O   1 
ATOM   638  N N   . SER   B 2 24  ? -18.162 22.139  -17.940 1.00 51.31  ? 33  SER   B N   1 
ATOM   639  C CA  . SER   B 2 24  ? -18.805 20.874  -17.498 1.00 49.21  ? 33  SER   B CA  1 
ATOM   640  C C   . SER   B 2 24  ? -17.857 19.729  -17.851 1.00 47.81  ? 33  SER   B C   1 
ATOM   641  O O   . SER   B 2 24  ? -17.479 19.642  -19.011 1.00 47.34  ? 33  SER   B O   1 
ATOM   642  C CB  . SER   B 2 24  ? -20.153 20.694  -18.128 1.00 48.86  ? 33  SER   B CB  1 
ATOM   643  O OG  . SER   B 2 24  ? -21.070 21.652  -17.601 1.00 50.56  ? 33  SER   B OG  1 
ATOM   644  N N   . THR   B 2 25  ? -17.420 18.936  -16.872 1.00 45.26  ? 34  THR   B N   1 
ATOM   645  C CA  . THR   B 2 25  ? -16.361 17.918  -17.069 1.00 44.67  ? 34  THR   B CA  1 
ATOM   646  C C   . THR   B 2 25  ? -16.937 16.516  -16.878 1.00 42.81  ? 34  THR   B C   1 
ATOM   647  O O   . THR   B 2 25  ? -17.621 16.304  -15.841 1.00 40.92  ? 34  THR   B O   1 
ATOM   648  C CB  . THR   B 2 25  ? -15.159 18.160  -16.150 1.00 45.44  ? 34  THR   B CB  1 
ATOM   649  O OG1 . THR   B 2 25  ? -14.703 19.504  -16.349 1.00 47.05  ? 34  THR   B OG1 1 
ATOM   650  C CG2 . THR   B 2 25  ? -14.034 17.187  -16.433 1.00 45.26  ? 34  THR   B CG2 1 
ATOM   651  N N   . GLN   B 2 26  ? -16.692 15.610  -17.837 1.00 41.39  ? 35  GLN   B N   1 
ATOM   652  C CA  . GLN   B 2 26  ? -17.169 14.203  -17.714 1.00 40.30  ? 35  GLN   B CA  1 
ATOM   653  C C   . GLN   B 2 26  ? -16.166 13.425  -16.839 1.00 39.93  ? 35  GLN   B C   1 
ATOM   654  O O   . GLN   B 2 26  ? -15.004 13.197  -17.297 1.00 40.93  ? 35  GLN   B O   1 
ATOM   655  C CB  . GLN   B 2 26  ? -17.307 13.475  -19.051 1.00 39.74  ? 35  GLN   B CB  1 
ATOM   656  C CG  . GLN   B 2 26  ? -17.969 12.094  -18.937 1.00 38.61  ? 35  GLN   B CG  1 
ATOM   657  C CD  . GLN   B 2 26  ? -18.181 11.463  -20.308 1.00 38.59  ? 35  GLN   B CD  1 
ATOM   658  O OE1 . GLN   B 2 26  ? -18.912 12.113  -21.177 1.00 39.20  ? 35  GLN   B OE1 1 
ATOM   659  N NE2 . GLN   B 2 26  ? -17.621 10.190  -20.530 1.00 37.77  ? 35  GLN   B NE2 1 
ATOM   660  N N   . VAL   B 2 27  ? -16.574 13.095  -15.610 1.00 39.37  ? 36  VAL   B N   1 
ATOM   661  C CA  . VAL   B 2 27  ? -15.721 12.317  -14.661 1.00 38.44  ? 36  VAL   B CA  1 
ATOM   662  C C   . VAL   B 2 27  ? -15.830 10.814  -14.948 1.00 37.43  ? 36  VAL   B C   1 
ATOM   663  O O   . VAL   B 2 27  ? -14.852 10.066  -14.585 1.00 37.53  ? 36  VAL   B O   1 
ATOM   664  C CB  . VAL   B 2 27  ? -16.098 12.644  -13.210 1.00 38.25  ? 36  VAL   B CB  1 
ATOM   665  C CG1 . VAL   B 2 27  ? -15.667 14.052  -12.855 1.00 39.30  ? 36  VAL   B CG1 1 
ATOM   666  C CG2 . VAL   B 2 27  ? -17.575 12.436  -12.946 1.00 37.87  ? 36  VAL   B CG2 1 
ATOM   667  N N   . GLY   B 2 28  ? -16.947 10.351  -15.591 1.00 36.55  ? 37  GLY   B N   1 
ATOM   668  C CA  . GLY   B 2 28  ? -17.139 8.911   -15.846 1.00 35.38  ? 37  GLY   B CA  1 
ATOM   669  C C   . GLY   B 2 28  ? -18.473 8.662   -16.520 1.00 34.73  ? 37  GLY   B C   1 
ATOM   670  O O   . GLY   B 2 28  ? -19.153 9.632   -16.893 1.00 35.44  ? 37  GLY   B O   1 
ATOM   671  N N   . VAL   B 2 29  ? -18.913 7.349   -16.507 1.00 33.37  ? 38  VAL   B N   1 
ATOM   672  C CA  . VAL   B 2 29  ? -20.078 6.748   -17.218 1.00 32.82  ? 38  VAL   B CA  1 
ATOM   673  C C   . VAL   B 2 29  ? -20.740 5.761   -16.268 1.00 32.33  ? 38  VAL   B C   1 
ATOM   674  O O   . VAL   B 2 29  ? -19.944 5.266   -15.308 1.00 32.41  ? 38  VAL   B O   1 
ATOM   675  C CB  . VAL   B 2 29  ? -19.604 6.033   -18.505 1.00 33.33  ? 38  VAL   B CB  1 
ATOM   676  C CG1 . VAL   B 2 29  ? -20.748 5.343   -19.232 1.00 33.26  ? 38  VAL   B CG1 1 
ATOM   677  C CG2 . VAL   B 2 29  ? -18.853 6.985   -19.397 1.00 33.91  ? 38  VAL   B CG2 1 
ATOM   678  N N   . GLY   B 2 30  ? -22.024 5.420   -16.555 1.00 32.00  ? 39  GLY   B N   1 
ATOM   679  C CA  . GLY   B 2 30  ? -22.698 4.361   -15.804 1.00 31.33  ? 39  GLY   B CA  1 
ATOM   680  C C   . GLY   B 2 30  ? -23.873 3.778   -16.517 1.00 31.42  ? 39  GLY   B C   1 
ATOM   681  O O   . GLY   B 2 30  ? -24.194 4.185   -17.773 1.00 31.60  ? 39  GLY   B O   1 
ATOM   682  N N   . VAL   B 2 31  ? -24.471 2.803   -15.837 1.00 31.00  ? 40  VAL   B N   1 
ATOM   683  C CA  . VAL   B 2 31  ? -25.528 1.925   -16.410 1.00 31.43  ? 40  VAL   B CA  1 
ATOM   684  C C   . VAL   B 2 31  ? -26.769 2.067   -15.560 1.00 31.70  ? 40  VAL   B C   1 
ATOM   685  O O   . VAL   B 2 31  ? -26.694 1.821   -14.330 1.00 30.42  ? 40  VAL   B O   1 
ATOM   686  C CB  . VAL   B 2 31  ? -25.097 0.462   -16.532 1.00 31.62  ? 40  VAL   B CB  1 
ATOM   687  C CG1 . VAL   B 2 31  ? -26.239 -0.412  -17.044 1.00 32.11  ? 40  VAL   B CG1 1 
ATOM   688  C CG2 . VAL   B 2 31  ? -23.873 0.379   -17.421 1.00 31.76  ? 40  VAL   B CG2 1 
ATOM   689  N N   . MET   B 2 32  ? -27.855 2.474   -16.210 1.00 32.04  ? 41  MET   B N   1 
ATOM   690  C CA  . MET   B 2 32  ? -29.190 2.497   -15.612 1.00 32.38  ? 41  MET   B CA  1 
ATOM   691  C C   . MET   B 2 32  ? -29.892 1.185   -16.006 1.00 33.16  ? 41  MET   B C   1 
ATOM   692  O O   . MET   B 2 32  ? -30.086 0.901   -17.197 1.00 32.97  ? 41  MET   B O   1 
ATOM   693  C CB  . MET   B 2 32  ? -29.970 3.746   -16.060 1.00 32.69  ? 41  MET   B CB  1 
ATOM   694  C CG  . MET   B 2 32  ? -31.218 3.959   -15.232 1.00 32.90  ? 41  MET   B CG  1 
ATOM   695  S SD  . MET   B 2 32  ? -30.982 4.522   -13.501 1.00 32.66  ? 41  MET   B SD  1 
ATOM   696  C CE  . MET   B 2 32  ? -30.055 6.022   -13.786 1.00 32.80  ? 41  MET   B CE  1 
ATOM   697  N N   . GLN   B 2 33  ? -30.249 0.352   -15.039 1.00 33.41  ? 42  GLN   B N   1 
ATOM   698  C CA  . GLN   B 2 33  ? -30.990 -0.902  -15.286 1.00 35.10  ? 42  GLN   B CA  1 
ATOM   699  C C   . GLN   B 2 33  ? -31.921 -1.187  -14.131 1.00 35.89  ? 42  GLN   B C   1 
ATOM   700  O O   . GLN   B 2 33  ? -31.453 -1.095  -12.948 1.00 35.96  ? 42  GLN   B O   1 
ATOM   701  C CB  . GLN   B 2 33  ? -30.071 -2.109  -15.558 1.00 35.76  ? 42  GLN   B CB  1 
ATOM   702  C CG  . GLN   B 2 33  ? -30.878 -3.313  -16.047 1.00 37.47  ? 42  GLN   B CG  1 
ATOM   703  C CD  . GLN   B 2 33  ? -30.055 -4.474  -16.573 1.00 38.63  ? 42  GLN   B CD  1 
ATOM   704  O OE1 . GLN   B 2 33  ? -30.123 -5.604  -16.032 1.00 41.77  ? 42  GLN   B OE1 1 
ATOM   705  N NE2 . GLN   B 2 33  ? -29.134 -4.185  -17.470 1.00 38.08  ? 42  GLN   B NE2 1 
ATOM   706  N N   . GLU   B 2 34  ? -33.160 -1.536  -14.441 1.00 37.00  ? 43  GLU   B N   1 
ATOM   707  C CA  . GLU   B 2 34  ? -34.224 -1.819  -13.450 1.00 37.81  ? 43  GLU   B CA  1 
ATOM   708  C C   . GLU   B 2 34  ? -34.252 -0.740  -12.354 1.00 36.90  ? 43  GLU   B C   1 
ATOM   709  O O   . GLU   B 2 34  ? -34.336 -1.122  -11.151 1.00 37.01  ? 43  GLU   B O   1 
ATOM   710  C CB  . GLU   B 2 34  ? -33.958 -3.201  -12.848 1.00 39.30  ? 43  GLU   B CB  1 
ATOM   711  C CG  . GLU   B 2 34  ? -34.039 -4.345  -13.842 1.00 41.21  ? 43  GLU   B CG  1 
ATOM   712  C CD  . GLU   B 2 34  ? -33.312 -5.633  -13.485 1.00 42.41  ? 43  GLU   B CD  1 
ATOM   713  O OE1 . GLU   B 2 34  ? -33.606 -6.198  -12.433 1.00 45.00  ? 43  GLU   B OE1 1 
ATOM   714  O OE2 . GLU   B 2 34  ? -32.450 -6.082  -14.275 1.00 44.94  ? 43  GLU   B OE2 1 
ATOM   715  N N   . GLY   B 2 35  ? -34.204 0.559   -12.701 1.00 35.70  ? 44  GLY   B N   1 
ATOM   716  C CA  . GLY   B 2 35  ? -34.326 1.665   -11.720 1.00 34.66  ? 44  GLY   B CA  1 
ATOM   717  C C   . GLY   B 2 35  ? -33.066 1.884   -10.885 1.00 33.29  ? 44  GLY   B C   1 
ATOM   718  O O   . GLY   B 2 35  ? -33.105 2.767   -10.008 1.00 33.52  ? 44  GLY   B O   1 
ATOM   719  N N   . VAL   B 2 36  ? -31.978 1.149   -11.128 1.00 32.27  ? 45  VAL   B N   1 
ATOM   720  C CA  . VAL   B 2 36  ? -30.693 1.275   -10.370 1.00 30.97  ? 45  VAL   B CA  1 
ATOM   721  C C   . VAL   B 2 36  ? -29.592 1.816   -11.278 1.00 30.36  ? 45  VAL   B C   1 
ATOM   722  O O   . VAL   B 2 36  ? -29.432 1.297   -12.395 1.00 30.10  ? 45  VAL   B O   1 
ATOM   723  C CB  . VAL   B 2 36  ? -30.302 -0.065  -9.701  1.00 31.06  ? 45  VAL   B CB  1 
ATOM   724  C CG1 . VAL   B 2 36  ? -28.905 -0.051  -9.070  1.00 30.52  ? 45  VAL   B CG1 1 
ATOM   725  C CG2 . VAL   B 2 36  ? -31.325 -0.402  -8.633  1.00 31.18  ? 45  VAL   B CG2 1 
ATOM   726  N N   . PHE   B 2 37  ? -28.806 2.760   -10.778 1.00 29.43  ? 46  PHE   B N   1 
ATOM   727  C CA  . PHE   B 2 37  ? -27.685 3.371   -11.507 1.00 29.07  ? 46  PHE   B CA  1 
ATOM   728  C C   . PHE   B 2 37  ? -26.419 2.706   -11.005 1.00 28.69  ? 46  PHE   B C   1 
ATOM   729  O O   . PHE   B 2 37  ? -26.177 2.676   -9.762  1.00 28.16  ? 46  PHE   B O   1 
ATOM   730  C CB  . PHE   B 2 37  ? -27.604 4.879   -11.430 1.00 29.29  ? 46  PHE   B CB  1 
ATOM   731  C CG  . PHE   B 2 37  ? -26.600 5.472   -12.382 1.00 29.66  ? 46  PHE   B CG  1 
ATOM   732  C CD1 . PHE   B 2 37  ? -26.714 5.310   -13.764 1.00 30.24  ? 46  PHE   B CD1 1 
ATOM   733  C CD2 . PHE   B 2 37  ? -25.508 6.151   -11.882 1.00 29.74  ? 46  PHE   B CD2 1 
ATOM   734  C CE1 . PHE   B 2 37  ? -25.767 5.849   -14.605 1.00 30.60  ? 46  PHE   B CE1 1 
ATOM   735  C CE2 . PHE   B 2 37  ? -24.558 6.686   -12.728 1.00 30.09  ? 46  PHE   B CE2 1 
ATOM   736  C CZ  . PHE   B 2 37  ? -24.715 6.566   -14.093 1.00 30.59  ? 46  PHE   B CZ  1 
ATOM   737  N N   A HIS   B 2 38  ? -25.630 2.155   -11.937 0.25 28.76  ? 47  HIS   B N   1 
ATOM   738  N N   B HIS   B 2 38  ? -25.630 2.155   -11.937 0.25 28.76  ? 47  HIS   B N   1 
ATOM   739  N N   C HIS   B 2 38  ? -25.630 2.183   -11.941 0.16 28.72  ? 47  HIS   B N   1 
ATOM   740  N N   D HIS   B 2 38  ? -25.630 2.183   -11.941 0.17 28.72  ? 47  HIS   B N   1 
ATOM   741  N N   E HIS   B 2 38  ? -25.630 2.183   -11.941 0.17 28.72  ? 47  HIS   B N   1 
ATOM   742  C CA  A HIS   B 2 38  ? -24.388 1.356   -11.707 0.25 28.71  ? 47  HIS   B CA  1 
ATOM   743  C CA  B HIS   B 2 38  ? -24.388 1.356   -11.707 0.25 28.71  ? 47  HIS   B CA  1 
ATOM   744  C CA  C HIS   B 2 38  ? -24.397 1.389   -11.704 0.16 28.62  ? 47  HIS   B CA  1 
ATOM   745  C CA  D HIS   B 2 38  ? -24.397 1.389   -11.704 0.17 28.62  ? 47  HIS   B CA  1 
ATOM   746  C CA  E HIS   B 2 38  ? -24.397 1.389   -11.704 0.17 28.62  ? 47  HIS   B CA  1 
ATOM   747  C C   A HIS   B 2 38  ? -23.152 2.051   -12.303 0.25 28.72  ? 47  HIS   B C   1 
ATOM   748  C C   B HIS   B 2 38  ? -23.152 2.051   -12.303 0.25 28.72  ? 47  HIS   B C   1 
ATOM   749  C C   C HIS   B 2 38  ? -23.194 2.148   -12.279 0.16 28.67  ? 47  HIS   B C   1 
ATOM   750  C C   D HIS   B 2 38  ? -23.194 2.148   -12.279 0.17 28.67  ? 47  HIS   B C   1 
ATOM   751  C C   E HIS   B 2 38  ? -23.194 2.148   -12.279 0.17 28.67  ? 47  HIS   B C   1 
ATOM   752  O O   A HIS   B 2 38  ? -23.100 2.212   -13.581 0.25 28.99  ? 47  HIS   B O   1 
ATOM   753  O O   B HIS   B 2 38  ? -23.100 2.212   -13.581 0.25 28.99  ? 47  HIS   B O   1 
ATOM   754  O O   C HIS   B 2 38  ? -23.265 2.572   -13.469 0.16 28.95  ? 47  HIS   B O   1 
ATOM   755  O O   D HIS   B 2 38  ? -23.265 2.572   -13.469 0.17 28.95  ? 47  HIS   B O   1 
ATOM   756  O O   E HIS   B 2 38  ? -23.265 2.572   -13.469 0.17 28.95  ? 47  HIS   B O   1 
ATOM   757  C CB  A HIS   B 2 38  ? -24.432 -0.027  -12.368 0.25 28.99  ? 47  HIS   B CB  1 
ATOM   758  C CB  B HIS   B 2 38  ? -24.432 -0.027  -12.368 0.25 28.99  ? 47  HIS   B CB  1 
ATOM   759  C CB  C HIS   B 2 38  ? -24.555 -0.014  -12.305 0.16 28.84  ? 47  HIS   B CB  1 
ATOM   760  C CB  D HIS   B 2 38  ? -24.555 -0.014  -12.305 0.17 28.84  ? 47  HIS   B CB  1 
ATOM   761  C CB  E HIS   B 2 38  ? -24.555 -0.014  -12.305 0.17 28.84  ? 47  HIS   B CB  1 
ATOM   762  C CG  A HIS   B 2 38  ? -25.606 -0.913  -12.048 0.25 29.19  ? 47  HIS   B CG  1 
ATOM   763  C CG  B HIS   B 2 38  ? -25.606 -0.913  -12.048 0.25 29.19  ? 47  HIS   B CG  1 
ATOM   764  C CG  C HIS   B 2 38  ? -25.837 -0.705  -11.935 0.16 28.96  ? 47  HIS   B CG  1 
ATOM   765  C CG  D HIS   B 2 38  ? -25.837 -0.705  -11.935 0.17 28.96  ? 47  HIS   B CG  1 
ATOM   766  C CG  E HIS   B 2 38  ? -25.837 -0.705  -11.935 0.17 28.96  ? 47  HIS   B CG  1 
ATOM   767  N ND1 A HIS   B 2 38  ? -26.833 -0.817  -12.594 0.25 29.48  ? 47  HIS   B ND1 1 
ATOM   768  N ND1 B HIS   B 2 38  ? -26.833 -0.817  -12.594 0.25 29.48  ? 47  HIS   B ND1 1 
ATOM   769  N ND1 C HIS   B 2 38  ? -27.072 -0.333  -12.450 0.16 29.18  ? 47  HIS   B ND1 1 
ATOM   770  N ND1 D HIS   B 2 38  ? -27.072 -0.333  -12.450 0.17 29.18  ? 47  HIS   B ND1 1 
ATOM   771  N ND1 E HIS   B 2 38  ? -27.072 -0.333  -12.450 0.17 29.18  ? 47  HIS   B ND1 1 
ATOM   772  C CD2 A HIS   B 2 38  ? -25.709 -1.981  -11.211 0.25 29.27  ? 47  HIS   B CD2 1 
ATOM   773  C CD2 B HIS   B 2 38  ? -25.709 -1.981  -11.211 0.25 29.27  ? 47  HIS   B CD2 1 
ATOM   774  C CD2 C HIS   B 2 38  ? -26.080 -1.751  -11.112 0.16 28.99  ? 47  HIS   B CD2 1 
ATOM   775  C CD2 D HIS   B 2 38  ? -26.080 -1.751  -11.112 0.17 28.99  ? 47  HIS   B CD2 1 
ATOM   776  C CD2 E HIS   B 2 38  ? -26.080 -1.751  -11.112 0.17 28.99  ? 47  HIS   B CD2 1 
ATOM   777  C CE1 A HIS   B 2 38  ? -27.656 -1.739  -12.064 0.25 29.72  ? 47  HIS   B CE1 1 
ATOM   778  C CE1 B HIS   B 2 38  ? -27.656 -1.739  -12.064 0.25 29.72  ? 47  HIS   B CE1 1 
ATOM   779  C CE1 C HIS   B 2 38  ? -28.013 -1.116  -11.931 0.16 29.35  ? 47  HIS   B CE1 1 
ATOM   780  C CE1 D HIS   B 2 38  ? -28.013 -1.116  -11.931 0.17 29.35  ? 47  HIS   B CE1 1 
ATOM   781  C CE1 E HIS   B 2 38  ? -28.013 -1.116  -11.931 0.17 29.35  ? 47  HIS   B CE1 1 
ATOM   782  N NE2 A HIS   B 2 38  ? -26.994 -2.466  -11.162 0.25 29.59  ? 47  HIS   B NE2 1 
ATOM   783  N NE2 B HIS   B 2 38  ? -26.994 -2.466  -11.162 0.25 29.59  ? 47  HIS   B NE2 1 
ATOM   784  N NE2 C HIS   B 2 38  ? -27.437 -1.985  -11.112 0.16 29.27  ? 47  HIS   B NE2 1 
ATOM   785  N NE2 D HIS   B 2 38  ? -27.437 -1.985  -11.112 0.17 29.27  ? 47  HIS   B NE2 1 
ATOM   786  N NE2 E HIS   B 2 38  ? -27.437 -1.985  -11.112 0.17 29.27  ? 47  HIS   B NE2 1 
ATOM   787  N N   . THR   B 2 39  ? -22.159 2.354   -11.453 1.00 28.49  ? 48  THR   B N   1 
ATOM   788  C CA  . THR   B 2 39  ? -20.901 2.994   -11.875 1.00 28.71  ? 48  THR   B CA  1 
ATOM   789  C C   . THR   B 2 39  ? -19.732 2.452   -11.052 1.00 29.02  ? 48  THR   B C   1 
ATOM   790  O O   . THR   B 2 39  ? -19.947 1.473   -10.265 1.00 28.51  ? 48  THR   B O   1 
ATOM   791  C CB  . THR   B 2 39  ? -21.004 4.517   -11.979 1.00 28.77  ? 48  THR   B CB  1 
ATOM   792  O OG1 . THR   B 2 39  ? -19.881 5.036   -12.722 1.00 29.01  ? 48  THR   B OG1 1 
ATOM   793  C CG2 . THR   B 2 39  ? -21.063 5.180   -10.621 1.00 28.54  ? 48  THR   B CG2 1 
ATOM   794  N N   . MET   B 2 40  ? -18.537 2.955   -11.359 1.00 29.66  ? 49  MET   B N   1 
ATOM   795  C CA  . MET   B 2 40  ? -17.298 2.583   -10.619 1.00 29.96  ? 49  MET   B CA  1 
ATOM   796  C C   . MET   B 2 40  ? -17.147 3.558   -9.459  1.00 29.56  ? 49  MET   B C   1 
ATOM   797  O O   . MET   B 2 40  ? -17.495 4.767   -9.558  1.00 29.36  ? 49  MET   B O   1 
ATOM   798  C CB  . MET   B 2 40  ? -16.039 2.569   -11.482 1.00 30.94  ? 49  MET   B CB  1 
ATOM   799  C CG  . MET   B 2 40  ? -16.227 1.761   -12.757 1.00 31.62  ? 49  MET   B CG  1 
ATOM   800  S SD  . MET   B 2 40  ? -14.773 0.959   -13.431 1.00 33.16  ? 49  MET   B SD  1 
ATOM   801  C CE  . MET   B 2 40  ? -14.661 -0.462  -12.331 1.00 33.10  ? 49  MET   B CE  1 
ATOM   802  N N   A TRP   B 2 41  ? -16.650 3.050   -8.323  0.24 29.37  ? 50  TRP   B N   1 
ATOM   803  N N   B TRP   B 2 41  ? -16.664 3.045   -8.320  0.23 29.36  ? 50  TRP   B N   1 
ATOM   804  N N   C TRP   B 2 41  ? -16.646 3.054   -8.328  0.12 29.38  ? 50  TRP   B N   1 
ATOM   805  N N   D TRP   B 2 41  ? -16.663 3.046   -8.319  0.25 29.36  ? 50  TRP   B N   1 
ATOM   806  N N   E TRP   B 2 41  ? -16.646 3.054   -8.328  0.12 29.38  ? 50  TRP   B N   1 
ATOM   807  C CA  A TRP   B 2 41  ? -16.509 3.861   -7.092  0.24 29.30  ? 50  TRP   B CA  1 
ATOM   808  C CA  B TRP   B 2 41  ? -16.504 3.852   -7.088  0.23 29.28  ? 50  TRP   B CA  1 
ATOM   809  C CA  C TRP   B 2 41  ? -16.506 3.858   -7.091  0.12 29.29  ? 50  TRP   B CA  1 
ATOM   810  C CA  D TRP   B 2 41  ? -16.505 3.853   -7.088  0.25 29.28  ? 50  TRP   B CA  1 
ATOM   811  C CA  E TRP   B 2 41  ? -16.506 3.858   -7.091  0.12 29.29  ? 50  TRP   B CA  1 
ATOM   812  C C   A TRP   B 2 41  ? -15.564 5.048   -7.334  0.24 29.67  ? 50  TRP   B C   1 
ATOM   813  C C   B TRP   B 2 41  ? -15.572 5.047   -7.339  0.23 29.67  ? 50  TRP   B C   1 
ATOM   814  C C   C TRP   B 2 41  ? -15.561 5.044   -7.328  0.12 29.66  ? 50  TRP   B C   1 
ATOM   815  C C   D TRP   B 2 41  ? -15.570 5.047   -7.335  0.25 29.67  ? 50  TRP   B C   1 
ATOM   816  C C   E TRP   B 2 41  ? -15.561 5.044   -7.328  0.12 29.66  ? 50  TRP   B C   1 
ATOM   817  O O   A TRP   B 2 41  ? -15.829 6.139   -6.756  0.24 29.72  ? 50  TRP   B O   1 
ATOM   818  O O   B TRP   B 2 41  ? -15.845 6.138   -6.745  0.23 29.74  ? 50  TRP   B O   1 
ATOM   819  O O   C TRP   B 2 41  ? -15.821 6.126   -6.735  0.12 29.70  ? 50  TRP   B O   1 
ATOM   820  O O   D TRP   B 2 41  ? -15.841 6.139   -6.739  0.25 29.74  ? 50  TRP   B O   1 
ATOM   821  O O   E TRP   B 2 41  ? -15.821 6.126   -6.735  0.12 29.70  ? 50  TRP   B O   1 
ATOM   822  C CB  A TRP   B 2 41  ? -16.034 2.993   -5.924  0.24 29.08  ? 50  TRP   B CB  1 
ATOM   823  C CB  B TRP   B 2 41  ? -15.991 2.981   -5.938  0.23 29.05  ? 50  TRP   B CB  1 
ATOM   824  C CB  C TRP   B 2 41  ? -16.033 2.993   -5.920  0.12 29.08  ? 50  TRP   B CB  1 
ATOM   825  C CB  D TRP   B 2 41  ? -15.993 2.980   -5.939  0.25 29.05  ? 50  TRP   B CB  1 
ATOM   826  C CB  E TRP   B 2 41  ? -16.033 2.993   -5.920  0.12 29.08  ? 50  TRP   B CB  1 
ATOM   827  C CG  A TRP   B 2 41  ? -16.185 3.716   -4.625  0.24 28.88  ? 50  TRP   B CG  1 
ATOM   828  C CG  B TRP   B 2 41  ? -15.808 3.777   -4.686  0.23 28.88  ? 50  TRP   B CG  1 
ATOM   829  C CG  C TRP   B 2 41  ? -16.186 3.717   -4.622  0.12 28.88  ? 50  TRP   B CG  1 
ATOM   830  C CG  D TRP   B 2 41  ? -15.810 3.778   -4.689  0.25 28.87  ? 50  TRP   B CG  1 
ATOM   831  C CG  E TRP   B 2 41  ? -16.186 3.717   -4.622  0.12 28.88  ? 50  TRP   B CG  1 
ATOM   832  C CD1 A TRP   B 2 41  ? -17.242 3.644   -3.769  0.24 28.66  ? 50  TRP   B CD1 1 
ATOM   833  C CD1 B TRP   B 2 41  ? -14.731 4.539   -4.344  0.23 29.08  ? 50  TRP   B CD1 1 
ATOM   834  C CD1 C TRP   B 2 41  ? -17.242 3.644   -3.763  0.12 28.66  ? 50  TRP   B CD1 1 
ATOM   835  C CD1 D TRP   B 2 41  ? -14.733 4.542   -4.349  0.25 29.06  ? 50  TRP   B CD1 1 
ATOM   836  C CD1 E TRP   B 2 41  ? -17.242 3.644   -3.763  0.12 28.66  ? 50  TRP   B CD1 1 
ATOM   837  C CD2 A TRP   B 2 41  ? -15.291 4.703   -4.081  0.24 29.04  ? 50  TRP   B CD2 1 
ATOM   838  C CD2 B TRP   B 2 41  ? -16.771 3.953   -3.636  0.23 28.66  ? 50  TRP   B CD2 1 
ATOM   839  C CD2 C TRP   B 2 41  ? -15.291 4.702   -4.077  0.12 29.04  ? 50  TRP   B CD2 1 
ATOM   840  C CD2 D TRP   B 2 41  ? -16.771 3.954   -3.637  0.25 28.66  ? 50  TRP   B CD2 1 
ATOM   841  C CD2 E TRP   B 2 41  ? -15.291 4.702   -4.077  0.12 29.04  ? 50  TRP   B CD2 1 
ATOM   842  N NE1 A TRP   B 2 41  ? -17.046 4.483   -2.703  0.24 28.66  ? 50  TRP   B NE1 1 
ATOM   843  N NE1 B TRP   B 2 41  ? -14.947 5.159   -3.143  0.23 28.94  ? 50  TRP   B NE1 1 
ATOM   844  N NE1 C TRP   B 2 41  ? -17.047 4.484   -2.699  0.12 28.66  ? 50  TRP   B NE1 1 
ATOM   845  N NE1 D TRP   B 2 41  ? -14.948 5.161   -3.147  0.25 28.93  ? 50  TRP   B NE1 1 
ATOM   846  N NE1 E TRP   B 2 41  ? -17.047 4.484   -2.699  0.12 28.66  ? 50  TRP   B NE1 1 
ATOM   847  C CE2 A TRP   B 2 41  ? -15.858 5.146   -2.870  0.24 28.88  ? 50  TRP   B CE2 1 
ATOM   848  C CE2 B TRP   B 2 41  ? -16.188 4.813   -2.680  0.23 28.71  ? 50  TRP   B CE2 1 
ATOM   849  C CE2 C TRP   B 2 41  ? -15.859 5.146   -2.866  0.12 28.89  ? 50  TRP   B CE2 1 
ATOM   850  C CE2 D TRP   B 2 41  ? -16.188 4.814   -2.683  0.25 28.71  ? 50  TRP   B CE2 1 
ATOM   851  C CE2 E TRP   B 2 41  ? -15.859 5.146   -2.866  0.12 28.89  ? 50  TRP   B CE2 1 
ATOM   852  C CE3 A TRP   B 2 41  ? -14.054 5.226   -4.475  0.24 29.39  ? 50  TRP   B CE3 1 
ATOM   853  C CE3 B TRP   B 2 41  ? -18.061 3.463   -3.402  0.23 28.50  ? 50  TRP   B CE3 1 
ATOM   854  C CE3 C TRP   B 2 41  ? -14.056 5.228   -4.475  0.12 29.39  ? 50  TRP   B CE3 1 
ATOM   855  C CE3 D TRP   B 2 41  ? -18.060 3.464   -3.402  0.25 28.50  ? 50  TRP   B CE3 1 
ATOM   856  C CE3 E TRP   B 2 41  ? -14.056 5.228   -4.475  0.12 29.39  ? 50  TRP   B CE3 1 
ATOM   857  C CZ2 A TRP   B 2 41  ? -15.241 6.102   -2.067  0.24 29.11  ? 50  TRP   B CZ2 1 
ATOM   858  C CZ2 B TRP   B 2 41  ? -16.851 5.182   -1.507  0.23 28.64  ? 50  TRP   B CZ2 1 
ATOM   859  C CZ2 C TRP   B 2 41  ? -15.239 6.100   -2.061  0.12 29.10  ? 50  TRP   B CZ2 1 
ATOM   860  C CZ2 D TRP   B 2 41  ? -16.851 5.184   -1.510  0.25 28.63  ? 50  TRP   B CZ2 1 
ATOM   861  C CZ2 E TRP   B 2 41  ? -15.239 6.100   -2.061  0.12 29.10  ? 50  TRP   B CZ2 1 
ATOM   862  C CZ3 A TRP   B 2 41  ? -13.441 6.166   -3.676  0.24 29.58  ? 50  TRP   B CZ3 1 
ATOM   863  C CZ3 B TRP   B 2 41  ? -18.707 3.816   -2.234  0.23 28.41  ? 50  TRP   B CZ3 1 
ATOM   864  C CZ3 C TRP   B 2 41  ? -13.443 6.167   -3.676  0.12 29.58  ? 50  TRP   B CZ3 1 
ATOM   865  C CZ3 D TRP   B 2 41  ? -18.705 3.816   -2.234  0.25 28.41  ? 50  TRP   B CZ3 1 
ATOM   866  C CZ3 E TRP   B 2 41  ? -13.443 6.167   -3.676  0.12 29.58  ? 50  TRP   B CZ3 1 
ATOM   867  C CH2 A TRP   B 2 41  ? -14.027 6.593   -2.485  0.24 29.45  ? 50  TRP   B CH2 1 
ATOM   868  C CH2 B TRP   B 2 41  ? -18.116 4.675   -1.308  0.23 28.45  ? 50  TRP   B CH2 1 
ATOM   869  C CH2 C TRP   B 2 41  ? -14.027 6.594   -2.484  0.12 29.44  ? 50  TRP   B CH2 1 
ATOM   870  C CH2 D TRP   B 2 41  ? -18.115 4.676   -1.310  0.25 28.45  ? 50  TRP   B CH2 1 
ATOM   871  C CH2 E TRP   B 2 41  ? -14.027 6.594   -2.484  0.12 29.44  ? 50  TRP   B CH2 1 
ATOM   872  N N   . HIS   B 2 42  ? -14.516 4.864   -8.151  1.00 29.98  ? 51  HIS   B N   1 
ATOM   873  C CA  . HIS   B 2 42  ? -13.505 5.947   -8.397  1.00 30.84  ? 51  HIS   B CA  1 
ATOM   874  C C   . HIS   B 2 42  ? -14.135 7.125   -9.212  1.00 31.58  ? 51  HIS   B C   1 
ATOM   875  O O   . HIS   B 2 42  ? -13.612 8.235   -9.118  1.00 32.57  ? 51  HIS   B O   1 
ATOM   876  C CB  . HIS   B 2 42  ? -12.193 5.432   -8.979  1.00 31.69  ? 51  HIS   B CB  1 
ATOM   877  C CG  . HIS   B 2 42  ? -12.238 5.132   -10.426 1.00 32.01  ? 51  HIS   B CG  1 
ATOM   878  N ND1 . HIS   B 2 42  ? -12.249 3.840   -10.922 1.00 32.46  ? 51  HIS   B ND1 1 
ATOM   879  C CD2 . HIS   B 2 42  ? -12.144 5.950   -11.512 1.00 32.87  ? 51  HIS   B CD2 1 
ATOM   880  C CE1 . HIS   B 2 42  ? -12.197 3.879   -12.249 1.00 32.79  ? 51  HIS   B CE1 1 
ATOM   881  N NE2 . HIS   B 2 42  ? -12.122 5.150   -12.620 1.00 32.86  ? 51  HIS   B NE2 1 
ATOM   882  N N   . VAL   B 2 43  ? -15.282 6.941   -9.855  1.00 31.43  ? 52  VAL   B N   1 
ATOM   883  C CA  . VAL   B 2 43  ? -16.003 8.011   -10.622 1.00 31.68  ? 52  VAL   B CA  1 
ATOM   884  C C   . VAL   B 2 43  ? -16.669 8.968   -9.619  1.00 31.87  ? 52  VAL   B C   1 
ATOM   885  O O   . VAL   B 2 43  ? -16.366 10.170  -9.672  1.00 32.15  ? 52  VAL   B O   1 
ATOM   886  C CB  . VAL   B 2 43  ? -16.993 7.362   -11.604 1.00 31.62  ? 52  VAL   B CB  1 
ATOM   887  C CG1 . VAL   B 2 43  ? -17.934 8.360   -12.266 1.00 31.91  ? 52  VAL   B CG1 1 
ATOM   888  C CG2 . VAL   B 2 43  ? -16.229 6.608   -12.695 1.00 31.79  ? 52  VAL   B CG2 1 
ATOM   889  N N   . THR   B 2 44  ? -17.469 8.452   -8.676  1.00 31.33  ? 53  THR   B N   1 
ATOM   890  C CA  . THR   B 2 44  ? -18.340 9.291   -7.806  1.00 31.80  ? 53  THR   B CA  1 
ATOM   891  C C   . THR   B 2 44  ? -17.762 9.436   -6.396  1.00 32.39  ? 53  THR   B C   1 
ATOM   892  O O   . THR   B 2 44  ? -18.189 10.380  -5.720  1.00 32.39  ? 53  THR   B O   1 
ATOM   893  C CB  . THR   B 2 44  ? -19.763 8.741   -7.737  1.00 31.31  ? 53  THR   B CB  1 
ATOM   894  O OG1 . THR   B 2 44  ? -19.739 7.511   -7.008  1.00 30.72  ? 53  THR   B OG1 1 
ATOM   895  C CG2 . THR   B 2 44  ? -20.370 8.569   -9.121  1.00 31.41  ? 53  THR   B CG2 1 
ATOM   896  N N   . LYS   B 2 45  ? -16.839 8.564   -6.002  1.00 33.50  ? 54  LYS   B N   1 
ATOM   897  C CA  . LYS   B 2 45  ? -16.321 8.465   -4.600  1.00 35.54  ? 54  LYS   B CA  1 
ATOM   898  C C   . LYS   B 2 45  ? -17.506 8.296   -3.648  1.00 35.56  ? 54  LYS   B C   1 
ATOM   899  O O   . LYS   B 2 45  ? -17.374 8.647   -2.457  1.00 36.90  ? 54  LYS   B O   1 
ATOM   900  C CB  . LYS   B 2 45  ? -15.510 9.699   -4.198  1.00 37.41  ? 54  LYS   B CB  1 
ATOM   901  C CG  . LYS   B 2 45  ? -14.463 10.189  -5.177  1.00 40.07  ? 54  LYS   B CG  1 
ATOM   902  C CD  . LYS   B 2 45  ? -13.369 9.199   -5.498  1.00 41.78  ? 54  LYS   B CD  1 
ATOM   903  C CE  . LYS   B 2 45  ? -12.210 9.863   -6.212  1.00 43.60  ? 54  LYS   B CE  1 
ATOM   904  N NZ  . LYS   B 2 45  ? -11.732 9.049   -7.360  1.00 45.12  ? 54  LYS   B NZ  1 
ATOM   905  N N   . GLY   B 2 46  ? -18.635 7.782   -4.123  1.00 35.39  ? 55  GLY   B N   1 
ATOM   906  C CA  . GLY   B 2 46  ? -19.826 7.498   -3.310  1.00 35.07  ? 55  GLY   B CA  1 
ATOM   907  C C   . GLY   B 2 46  ? -20.706 8.716   -3.057  1.00 35.58  ? 55  GLY   B C   1 
ATOM   908  O O   . GLY   B 2 46  ? -21.611 8.596   -2.237  1.00 36.24  ? 55  GLY   B O   1 
ATOM   909  N N   . ALA   B 2 47  ? -20.515 9.839   -3.760  1.00 36.05  ? 56  ALA   B N   1 
ATOM   910  C CA  . ALA   B 2 47  ? -21.378 11.047  -3.665  1.00 36.15  ? 56  ALA   B CA  1 
ATOM   911  C C   . ALA   B 2 47  ? -22.754 10.812  -4.305  1.00 35.67  ? 56  ALA   B C   1 
ATOM   912  O O   . ALA   B 2 47  ? -22.895 9.942   -5.175  1.00 34.84  ? 56  ALA   B O   1 
ATOM   913  C CB  . ALA   B 2 47  ? -20.695 12.240  -4.310  1.00 36.81  ? 56  ALA   B CB  1 
ATOM   914  N N   . ALA   B 2 48  ? -23.736 11.620  -3.918  1.00 35.39  ? 57  ALA   B N   1 
ATOM   915  C CA  . ALA   B 2 48  ? -25.079 11.681  -4.529  1.00 35.57  ? 57  ALA   B CA  1 
ATOM   916  C C   . ALA   B 2 48  ? -24.961 12.318  -5.912  1.00 35.93  ? 57  ALA   B C   1 
ATOM   917  O O   . ALA   B 2 48  ? -23.983 13.030  -6.147  1.00 36.61  ? 57  ALA   B O   1 
ATOM   918  C CB  . ALA   B 2 48  ? -26.040 12.460  -3.665  1.00 35.91  ? 57  ALA   B CB  1 
ATOM   919  N N   . LEU   B 2 49  ? -25.918 11.993  -6.776  1.00 35.95  ? 58  LEU   B N   1 
ATOM   920  C CA  . LEU   B 2 49  ? -25.992 12.423  -8.192  1.00 36.91  ? 58  LEU   B CA  1 
ATOM   921  C C   . LEU   B 2 49  ? -27.339 13.094  -8.428  1.00 38.56  ? 58  LEU   B C   1 
ATOM   922  O O   . LEU   B 2 49  ? -28.374 12.664  -7.847  1.00 38.48  ? 58  LEU   B O   1 
ATOM   923  C CB  . LEU   B 2 49  ? -25.871 11.202  -9.095  1.00 35.67  ? 58  LEU   B CB  1 
ATOM   924  C CG  . LEU   B 2 49  ? -24.610 10.359  -8.921  1.00 34.78  ? 58  LEU   B CG  1 
ATOM   925  C CD1 . LEU   B 2 49  ? -24.692 9.051   -9.684  1.00 34.21  ? 58  LEU   B CD1 1 
ATOM   926  C CD2 . LEU   B 2 49  ? -23.367 11.138  -9.280  1.00 35.21  ? 58  LEU   B CD2 1 
ATOM   927  N N   . ARG   B 2 50  ? -27.330 14.083  -9.295  1.00 40.43  ? 59  ARG   B N   1 
ATOM   928  C CA  . ARG   B 2 50  ? -28.557 14.728  -9.796  1.00 43.78  ? 59  ARG   B CA  1 
ATOM   929  C C   . ARG   B 2 50  ? -28.931 14.061  -11.118 1.00 43.65  ? 59  ARG   B C   1 
ATOM   930  O O   . ARG   B 2 50  ? -28.016 13.680  -11.854 1.00 41.95  ? 59  ARG   B O   1 
ATOM   931  C CB  . ARG   B 2 50  ? -28.258 16.221  -9.897  1.00 46.99  ? 59  ARG   B CB  1 
ATOM   932  C CG  . ARG   B 2 50  ? -29.484 17.111  -9.992  1.00 50.52  ? 59  ARG   B CG  1 
ATOM   933  C CD  . ARG   B 2 50  ? -29.101 18.538  -9.664  1.00 53.28  ? 59  ARG   B CD  1 
ATOM   934  N NE  . ARG   B 2 50  ? -27.689 18.810  -9.967  1.00 54.99  ? 59  ARG   B NE  1 
ATOM   935  C CZ  . ARG   B 2 50  ? -27.200 19.162  -11.153 1.00 55.98  ? 59  ARG   B CZ  1 
ATOM   936  N NH1 . ARG   B 2 50  ? -27.993 19.261  -12.209 1.00 57.44  ? 59  ARG   B NH1 1 
ATOM   937  N NH2 . ARG   B 2 50  ? -25.902 19.388  -11.282 1.00 57.79  ? 59  ARG   B NH2 1 
ATOM   938  N N   . SER   B 2 51  ? -30.219 13.831  -11.345 1.00 45.00  ? 60  SER   B N   1 
ATOM   939  C CA  . SER   B 2 51  ? -30.825 13.570  -12.677 1.00 47.16  ? 60  SER   B CA  1 
ATOM   940  C C   . SER   B 2 51  ? -32.062 14.470  -12.822 1.00 49.19  ? 60  SER   B C   1 
ATOM   941  O O   . SER   B 2 51  ? -33.031 14.249  -12.078 1.00 49.20  ? 60  SER   B O   1 
ATOM   942  C CB  . SER   B 2 51  ? -31.173 12.118  -12.815 1.00 46.84  ? 60  SER   B CB  1 
ATOM   943  O OG  . SER   B 2 51  ? -31.906 11.881  -14.011 1.00 47.43  ? 60  SER   B OG  1 
ATOM   944  N N   . GLY   B 2 52  ? -32.028 15.467  -13.707 1.00 52.48  ? 61  GLY   B N   1 
ATOM   945  C CA  . GLY   B 2 52  ? -33.041 16.543  -13.721 1.00 55.15  ? 61  GLY   B CA  1 
ATOM   946  C C   . GLY   B 2 52  ? -33.015 17.279  -12.393 1.00 57.48  ? 61  GLY   B C   1 
ATOM   947  O O   . GLY   B 2 52  ? -31.922 17.737  -11.986 1.00 60.36  ? 61  GLY   B O   1 
ATOM   948  N N   . GLU   B 2 53  ? -34.139 17.334  -11.687 1.00 59.29  ? 62  GLU   B N   1 
ATOM   949  C CA  . GLU   B 2 53  ? -34.169 17.840  -10.291 1.00 61.22  ? 62  GLU   B CA  1 
ATOM   950  C C   . GLU   B 2 53  ? -34.358 16.663  -9.326  1.00 58.75  ? 62  GLU   B C   1 
ATOM   951  O O   . GLU   B 2 53  ? -34.519 16.924  -8.116  1.00 56.77  ? 62  GLU   B O   1 
ATOM   952  C CB  . GLU   B 2 53  ? -35.202 18.960  -10.184 1.00 65.22  ? 62  GLU   B CB  1 
ATOM   953  C CG  . GLU   B 2 53  ? -34.763 20.182  -10.975 1.00 69.38  ? 62  GLU   B CG  1 
ATOM   954  C CD  . GLU   B 2 53  ? -35.328 21.513  -10.511 1.00 73.27  ? 62  GLU   B CD  1 
ATOM   955  O OE1 . GLU   B 2 53  ? -36.562 21.540  -10.189 1.00 78.28  ? 62  GLU   B OE1 1 
ATOM   956  O OE2 . GLU   B 2 53  ? -34.522 22.524  -10.456 1.00 76.17  ? 62  GLU   B OE2 1 
ATOM   957  N N   . GLY   B 2 54  ? -34.240 15.428  -9.840  1.00 55.24  ? 63  GLY   B N   1 
ATOM   958  C CA  . GLY   B 2 54  ? -34.191 14.191  -9.039  1.00 53.74  ? 63  GLY   B CA  1 
ATOM   959  C C   . GLY   B 2 54  ? -32.820 13.991  -8.413  1.00 51.89  ? 63  GLY   B C   1 
ATOM   960  O O   . GLY   B 2 54  ? -31.816 14.383  -9.055  1.00 51.78  ? 63  GLY   B O   1 
ATOM   961  N N   . ARG   B 2 55  ? -32.775 13.449  -7.189  1.00 49.20  ? 64  ARG   B N   1 
ATOM   962  C CA  . ARG   B 2 55  ? -31.521 13.037  -6.502  1.00 46.71  ? 64  ARG   B CA  1 
ATOM   963  C C   . ARG   B 2 55  ? -31.382 11.506  -6.580  1.00 44.25  ? 64  ARG   B C   1 
ATOM   964  O O   . ARG   B 2 55  ? -32.397 10.795  -6.445  1.00 45.30  ? 64  ARG   B O   1 
ATOM   965  C CB  . ARG   B 2 55  ? -31.525 13.525  -5.049  1.00 47.71  ? 64  ARG   B CB  1 
ATOM   966  C CG  . ARG   B 2 55  ? -30.162 13.478  -4.379  1.00 48.29  ? 64  ARG   B CG  1 
ATOM   967  C CD  . ARG   B 2 55  ? -30.316 13.864  -2.916  1.00 49.95  ? 64  ARG   B CD  1 
ATOM   968  N NE  . ARG   B 2 55  ? -29.117 13.640  -2.119  1.00 50.75  ? 64  ARG   B NE  1 
ATOM   969  C CZ  . ARG   B 2 55  ? -28.496 14.545  -1.350  1.00 50.98  ? 64  ARG   B CZ  1 
ATOM   970  N NH1 . ARG   B 2 55  ? -28.970 15.779  -1.237  1.00 52.00  ? 64  ARG   B NH1 1 
ATOM   971  N NH2 . ARG   B 2 55  ? -27.406 14.194  -0.679  1.00 49.45  ? 64  ARG   B NH2 1 
ATOM   972  N N   . LEU   B 2 56  ? -30.174 11.007  -6.814  1.00 40.54  ? 65  LEU   B N   1 
ATOM   973  C CA  . LEU   B 2 56  ? -29.869 9.560   -6.735  1.00 39.00  ? 65  LEU   B CA  1 
ATOM   974  C C   . LEU   B 2 56  ? -28.940 9.394   -5.543  1.00 37.14  ? 65  LEU   B C   1 
ATOM   975  O O   . LEU   B 2 56  ? -27.851 10.001  -5.553  1.00 36.73  ? 65  LEU   B O   1 
ATOM   976  C CB  . LEU   B 2 56  ? -29.194 9.035   -8.020  1.00 38.89  ? 65  LEU   B CB  1 
ATOM   977  C CG  . LEU   B 2 56  ? -29.899 9.239   -9.359  1.00 40.21  ? 65  LEU   B CG  1 
ATOM   978  C CD1 . LEU   B 2 56  ? -29.191 8.424   -10.448 1.00 39.98  ? 65  LEU   B CD1 1 
ATOM   979  C CD2 . LEU   B 2 56  ? -31.371 8.852   -9.299  1.00 40.99  ? 65  LEU   B CD2 1 
ATOM   980  N N   . ASP   B 2 57  ? -29.366 8.614   -4.557  1.00 36.14  ? 66  ASP   B N   1 
ATOM   981  C CA  . ASP   B 2 57  ? -28.538 8.362   -3.354  1.00 34.81  ? 66  ASP   B CA  1 
ATOM   982  C C   . ASP   B 2 57  ? -27.834 7.012   -3.457  1.00 32.65  ? 66  ASP   B C   1 
ATOM   983  O O   . ASP   B 2 57  ? -28.414 6.016   -3.944  1.00 32.99  ? 66  ASP   B O   1 
ATOM   984  C CB  . ASP   B 2 57  ? -29.396 8.474   -2.101  1.00 36.93  ? 66  ASP   B CB  1 
ATOM   985  C CG  . ASP   B 2 57  ? -29.956 9.877   -1.953  1.00 38.70  ? 66  ASP   B CG  1 
ATOM   986  O OD1 . ASP   B 2 57  ? -29.178 10.839  -2.267  1.00 40.95  ? 66  ASP   B OD1 1 
ATOM   987  O OD2 . ASP   B 2 57  ? -31.147 9.984   -1.599  1.00 41.76  ? 66  ASP   B OD2 1 
ATOM   988  N N   . PRO   B 2 58  ? -26.573 6.928   -2.979  1.00 30.70  ? 67  PRO   B N   1 
ATOM   989  C CA  . PRO   B 2 58  ? -25.824 5.675   -2.990  1.00 29.90  ? 67  PRO   B CA  1 
ATOM   990  C C   . PRO   B 2 58  ? -26.620 4.622   -2.208  1.00 29.25  ? 67  PRO   B C   1 
ATOM   991  O O   . PRO   B 2 58  ? -27.227 4.999   -1.148  1.00 28.67  ? 67  PRO   B O   1 
ATOM   992  C CB  . PRO   B 2 58  ? -24.464 6.069   -2.397  1.00 29.97  ? 67  PRO   B CB  1 
ATOM   993  C CG  . PRO   B 2 58  ? -24.755 7.258   -1.531  1.00 30.71  ? 67  PRO   B CG  1 
ATOM   994  C CD  . PRO   B 2 58  ? -25.859 7.998   -2.253  1.00 31.19  ? 67  PRO   B CD  1 
ATOM   995  N N   . TYR   B 2 59  ? -26.649 3.383   -2.667  1.00 28.27  ? 68  TYR   B N   1 
ATOM   996  C CA  . TYR   B 2 59  ? -27.306 2.262   -1.956  1.00 28.05  ? 68  TYR   B CA  1 
ATOM   997  C C   . TYR   B 2 59  ? -26.292 1.220   -1.462  1.00 27.53  ? 68  TYR   B C   1 
ATOM   998  O O   . TYR   B 2 59  ? -26.439 0.642   -0.343  1.00 27.51  ? 68  TYR   B O   1 
ATOM   999  C CB  . TYR   B 2 59  ? -28.343 1.627   -2.870  1.00 28.67  ? 68  TYR   B CB  1 
ATOM   1000 C CG  . TYR   B 2 59  ? -29.178 0.562   -2.194  1.00 28.96  ? 68  TYR   B CG  1 
ATOM   1001 C CD1 . TYR   B 2 59  ? -28.683 -0.730  -2.095  1.00 29.36  ? 68  TYR   B CD1 1 
ATOM   1002 C CD2 . TYR   B 2 59  ? -30.461 0.815   -1.742  1.00 29.39  ? 68  TYR   B CD2 1 
ATOM   1003 C CE1 . TYR   B 2 59  ? -29.439 -1.747  -1.526  1.00 29.89  ? 68  TYR   B CE1 1 
ATOM   1004 C CE2 . TYR   B 2 59  ? -31.240 -0.200  -1.177  1.00 29.89  ? 68  TYR   B CE2 1 
ATOM   1005 C CZ  . TYR   B 2 59  ? -30.725 -1.492  -1.095  1.00 30.21  ? 68  TYR   B CZ  1 
ATOM   1006 O OH  . TYR   B 2 59  ? -31.423 -2.557  -0.595  1.00 31.51  ? 68  TYR   B OH  1 
ATOM   1007 N N   . TRP   B 2 60  ? -25.369 0.845   -2.317  1.00 26.80  ? 69  TRP   B N   1 
ATOM   1008 C CA  . TRP   B 2 60  ? -24.318 -0.184  -2.109  1.00 26.57  ? 69  TRP   B CA  1 
ATOM   1009 C C   . TRP   B 2 60  ? -23.016 0.288   -2.710  1.00 26.82  ? 69  TRP   B C   1 
ATOM   1010 O O   . TRP   B 2 60  ? -23.053 0.754   -3.891  1.00 26.62  ? 69  TRP   B O   1 
ATOM   1011 C CB  . TRP   B 2 60  ? -24.712 -1.576  -2.572  1.00 26.43  ? 69  TRP   B CB  1 
ATOM   1012 C CG  . TRP   B 2 60  ? -23.572 -2.538  -2.556  1.00 26.22  ? 69  TRP   B CG  1 
ATOM   1013 C CD1 . TRP   B 2 60  ? -23.114 -3.274  -1.502  1.00 26.16  ? 69  TRP   B CD1 1 
ATOM   1014 C CD2 . TRP   B 2 60  ? -22.659 -2.804  -3.631  1.00 26.02  ? 69  TRP   B CD2 1 
ATOM   1015 N NE1 . TRP   B 2 60  ? -21.994 -3.972  -1.833  1.00 26.06  ? 69  TRP   B NE1 1 
ATOM   1016 C CE2 . TRP   B 2 60  ? -21.724 -3.748  -3.169  1.00 26.11  ? 69  TRP   B CE2 1 
ATOM   1017 C CE3 . TRP   B 2 60  ? -22.572 -2.415  -4.988  1.00 26.04  ? 69  TRP   B CE3 1 
ATOM   1018 C CZ2 . TRP   B 2 60  ? -20.658 -4.218  -3.901  1.00 26.12  ? 69  TRP   B CZ2 1 
ATOM   1019 C CZ3 . TRP   B 2 60  ? -21.527 -2.904  -5.743  1.00 26.11  ? 69  TRP   B CZ3 1 
ATOM   1020 C CH2 . TRP   B 2 60  ? -20.598 -3.811  -5.232  1.00 26.22  ? 69  TRP   B CH2 1 
ATOM   1021 N N   . GLY   B 2 61  ? -21.889 0.043   -2.050  1.00 27.17  ? 70  GLY   B N   1 
ATOM   1022 C CA  . GLY   B 2 61  ? -20.570 0.338   -2.634  1.00 27.53  ? 70  GLY   B CA  1 
ATOM   1023 C C   . GLY   B 2 61  ? -19.478 -0.495  -2.027  1.00 28.12  ? 70  GLY   B C   1 
ATOM   1024 O O   . GLY   B 2 61  ? -19.652 -0.886  -0.813  1.00 27.73  ? 70  GLY   B O   1 
ATOM   1025 N N   . ASP   B 2 62  ? -18.359 -0.615  -2.711  1.00 28.61  ? 71  ASP   B N   1 
ATOM   1026 C CA  . ASP   B 2 62  ? -17.158 -1.378  -2.275  1.00 29.73  ? 71  ASP   B CA  1 
ATOM   1027 C C   . ASP   B 2 62  ? -15.935 -0.827  -2.984  1.00 29.46  ? 71  ASP   B C   1 
ATOM   1028 O O   . ASP   B 2 62  ? -15.830 -1.024  -4.233  1.00 29.44  ? 71  ASP   B O   1 
ATOM   1029 C CB  . ASP   B 2 62  ? -17.376 -2.873  -2.393  1.00 31.30  ? 71  ASP   B CB  1 
ATOM   1030 C CG  . ASP   B 2 62  ? -16.308 -3.701  -1.709  1.00 32.96  ? 71  ASP   B CG  1 
ATOM   1031 O OD1 . ASP   B 2 62  ? -15.141 -3.645  -2.083  1.00 34.04  ? 71  ASP   B OD1 1 
ATOM   1032 O OD2 . ASP   B 2 62  ? -16.661 -4.302  -0.708  1.00 37.01  ? 71  ASP   B OD2 1 
ATOM   1033 N N   . VAL   B 2 63  ? -15.050 -0.155  -2.249  1.00 29.13  ? 72  VAL   B N   1 
ATOM   1034 C CA  . VAL   B 2 63  ? -13.787 0.450   -2.752  1.00 29.32  ? 72  VAL   B CA  1 
ATOM   1035 C C   . VAL   B 2 63  ? -12.911 -0.662  -3.331  1.00 30.04  ? 72  VAL   B C   1 
ATOM   1036 O O   . VAL   B 2 63  ? -12.235 -0.395  -4.345  1.00 30.04  ? 72  VAL   B O   1 
ATOM   1037 C CB  . VAL   B 2 63  ? -13.056 1.299   -1.680  1.00 29.31  ? 72  VAL   B CB  1 
ATOM   1038 C CG1 . VAL   B 2 63  ? -11.582 1.476   -1.969  1.00 29.69  ? 72  VAL   B CG1 1 
ATOM   1039 C CG2 . VAL   B 2 63  ? -13.733 2.642   -1.503  1.00 29.03  ? 72  VAL   B CG2 1 
ATOM   1040 N N   . LYS   B 2 64  ? -12.960 -1.896  -2.836  1.00 30.27  ? 73  LYS   B N   1 
ATOM   1041 C CA  . LYS   B 2 64  ? -12.026 -2.933  -3.352  1.00 31.03  ? 73  LYS   B CA  1 
ATOM   1042 C C   . LYS   B 2 64  ? -12.532 -3.453  -4.704  1.00 31.00  ? 73  LYS   B C   1 
ATOM   1043 O O   . LYS   B 2 64  ? -11.715 -3.590  -5.640  1.00 31.89  ? 73  LYS   B O   1 
ATOM   1044 C CB  . LYS   B 2 64  ? -11.843 -4.091  -2.376  1.00 31.30  ? 73  LYS   B CB  1 
ATOM   1045 C CG  . LYS   B 2 64  ? -10.721 -5.010  -2.832  1.00 32.20  ? 73  LYS   B CG  1 
ATOM   1046 C CD  . LYS   B 2 64  ? -10.489 -6.135  -1.909  1.00 32.50  ? 73  LYS   B CD  1 
ATOM   1047 C CE  . LYS   B 2 64  ? -9.424  -7.092  -2.389  1.00 33.41  ? 73  LYS   B CE  1 
ATOM   1048 N NZ  . LYS   B 2 64  ? -9.052  -7.993  -1.278  1.00 33.87  ? 73  LYS   B NZ  1 
ATOM   1049 N N   . GLN   B 2 65  ? -13.837 -3.674  -4.828  1.00 30.74  ? 74  GLN   B N   1 
ATOM   1050 C CA  . GLN   B 2 65  ? -14.443 -4.055  -6.139  1.00 31.08  ? 74  GLN   B CA  1 
ATOM   1051 C C   . GLN   B 2 65  ? -14.416 -2.851  -7.077  1.00 30.39  ? 74  GLN   B C   1 
ATOM   1052 O O   . GLN   B 2 65  ? -14.628 -3.132  -8.304  1.00 29.88  ? 74  GLN   B O   1 
ATOM   1053 C CB  . GLN   B 2 65  ? -15.879 -4.524  -5.974  1.00 31.86  ? 74  GLN   B CB  1 
ATOM   1054 C CG  . GLN   B 2 65  ? -16.001 -5.716  -5.040  1.00 33.35  ? 74  GLN   B CG  1 
ATOM   1055 C CD  . GLN   B 2 65  ? -17.361 -6.361  -5.155  1.00 34.86  ? 74  GLN   B CD  1 
ATOM   1056 O OE1 . GLN   B 2 65  ? -17.947 -6.529  -6.261  1.00 37.03  ? 74  GLN   B OE1 1 
ATOM   1057 N NE2 . GLN   B 2 65  ? -17.852 -6.752  -4.000  1.00 35.91  ? 74  GLN   B NE2 1 
ATOM   1058 N N   . ASP   B 2 66  ? -14.185 -1.633  -6.556  1.00 29.61  ? 75  ASP   B N   1 
ATOM   1059 C CA  . ASP   B 2 66  ? -14.323 -0.319  -7.254  1.00 29.17  ? 75  ASP   B CA  1 
ATOM   1060 C C   . ASP   B 2 66  ? -15.704 -0.210  -7.910  1.00 28.56  ? 75  ASP   B C   1 
ATOM   1061 O O   . ASP   B 2 66  ? -15.762 0.272   -9.091  1.00 28.28  ? 75  ASP   B O   1 
ATOM   1062 C CB  . ASP   B 2 66  ? -13.177 -0.105  -8.252  1.00 29.89  ? 75  ASP   B CB  1 
ATOM   1063 C CG  . ASP   B 2 66  ? -13.125 1.310   -8.801  1.00 30.13  ? 75  ASP   B CG  1 
ATOM   1064 O OD1 . ASP   B 2 66  ? -13.502 2.249   -8.066  1.00 29.85  ? 75  ASP   B OD1 1 
ATOM   1065 O OD2 . ASP   B 2 66  ? -12.629 1.448   -9.968  1.00 30.74  ? 75  ASP   B OD2 1 
ATOM   1066 N N   . LEU   B 2 67  ? -16.812 -0.529  -7.230  1.00 27.70  ? 76  LEU   B N   1 
ATOM   1067 C CA  . LEU   B 2 67  ? -18.205 -0.494  -7.751  1.00 27.37  ? 76  LEU   B CA  1 
ATOM   1068 C C   . LEU   B 2 67  ? -19.138 0.257   -6.827  1.00 27.26  ? 76  LEU   B C   1 
ATOM   1069 O O   . LEU   B 2 67  ? -18.857 0.244   -5.577  1.00 26.61  ? 76  LEU   B O   1 
ATOM   1070 C CB  . LEU   B 2 67  ? -18.744 -1.897  -7.991  1.00 27.46  ? 76  LEU   B CB  1 
ATOM   1071 C CG  . LEU   B 2 67  ? -18.126 -2.702  -9.140  1.00 27.83  ? 76  LEU   B CG  1 
ATOM   1072 C CD1 . LEU   B 2 67  ? -18.765 -4.079  -9.180  1.00 28.08  ? 76  LEU   B CD1 1 
ATOM   1073 C CD2 . LEU   B 2 67  ? -18.368 -1.979  -10.497 1.00 27.96  ? 76  LEU   B CD2 1 
ATOM   1074 N N   . VAL   B 2 68  ? -20.250 0.763   -7.355  1.00 27.15  ? 77  VAL   B N   1 
ATOM   1075 C CA  . VAL   B 2 68  ? -21.271 1.488   -6.548  1.00 27.07  ? 77  VAL   B CA  1 
ATOM   1076 C C   . VAL   B 2 68  ? -22.593 1.492   -7.306  1.00 27.21  ? 77  VAL   B C   1 
ATOM   1077 O O   . VAL   B 2 68  ? -22.574 1.523   -8.588  1.00 27.34  ? 77  VAL   B O   1 
ATOM   1078 C CB  . VAL   B 2 68  ? -20.797 2.885   -6.101  1.00 27.11  ? 77  VAL   B CB  1 
ATOM   1079 C CG1 . VAL   B 2 68  ? -20.441 3.783   -7.291  1.00 27.36  ? 77  VAL   B CG1 1 
ATOM   1080 C CG2 . VAL   B 2 68  ? -21.796 3.586   -5.200  1.00 26.98  ? 77  VAL   B CG2 1 
ATOM   1081 N N   . SER   B 2 69  ? -23.681 1.241   -6.599  1.00 27.13  ? 78  SER   B N   1 
ATOM   1082 C CA  . SER   B 2 69  ? -25.075 1.272   -7.084  1.00 27.35  ? 78  SER   B CA  1 
ATOM   1083 C C   . SER   B 2 69  ? -25.875 2.376   -6.397  1.00 27.79  ? 78  SER   B C   1 
ATOM   1084 O O   . SER   B 2 69  ? -25.589 2.688   -5.178  1.00 27.47  ? 78  SER   B O   1 
ATOM   1085 C CB  . SER   B 2 69  ? -25.724 -0.095  -6.984  1.00 27.50  ? 78  SER   B CB  1 
ATOM   1086 O OG  . SER   B 2 69  ? -25.991 -0.486  -5.613  1.00 27.27  ? 78  SER   B OG  1 
ATOM   1087 N N   . TYR   B 2 70  ? -26.839 2.940   -7.125  1.00 28.42  ? 79  TYR   B N   1 
ATOM   1088 C CA  . TYR   B 2 70  ? -27.714 4.067   -6.663  1.00 29.05  ? 79  TYR   B CA  1 
ATOM   1089 C C   . TYR   B 2 70  ? -29.174 3.639   -6.779  1.00 29.87  ? 79  TYR   B C   1 
ATOM   1090 O O   . TYR   B 2 70  ? -29.507 2.998   -7.751  1.00 29.86  ? 79  TYR   B O   1 
ATOM   1091 C CB  . TYR   B 2 70  ? -27.479 5.326   -7.513  1.00 28.79  ? 79  TYR   B CB  1 
ATOM   1092 C CG  . TYR   B 2 70  ? -26.155 5.997   -7.252  1.00 28.50  ? 79  TYR   B CG  1 
ATOM   1093 C CD1 . TYR   B 2 70  ? -24.981 5.503   -7.793  1.00 28.35  ? 79  TYR   B CD1 1 
ATOM   1094 C CD2 . TYR   B 2 70  ? -26.046 7.051   -6.357  1.00 28.58  ? 79  TYR   B CD2 1 
ATOM   1095 C CE1 . TYR   B 2 70  ? -23.745 6.082   -7.526  1.00 28.35  ? 79  TYR   B CE1 1 
ATOM   1096 C CE2 . TYR   B 2 70  ? -24.826 7.661   -6.079  1.00 28.55  ? 79  TYR   B CE2 1 
ATOM   1097 C CZ  . TYR   B 2 70  ? -23.669 7.163   -6.672  1.00 28.41  ? 79  TYR   B CZ  1 
ATOM   1098 O OH  . TYR   B 2 70  ? -22.424 7.712   -6.438  1.00 28.84  ? 79  TYR   B OH  1 
ATOM   1099 N N   A CYS   B 2 71  ? -29.987 4.026   -5.777  0.25 30.14  ? 80  CYS   B N   1 
ATOM   1100 N N   B CYS   B 2 71  ? -29.987 4.026   -5.777  0.25 30.14  ? 80  CYS   B N   1 
ATOM   1101 N N   C CYS   B 2 71  ? -30.014 3.956   -5.774  0.16 29.93  ? 80  CYS   B N   1 
ATOM   1102 N N   D CYS   B 2 71  ? -30.014 3.956   -5.774  0.17 29.93  ? 80  CYS   B N   1 
ATOM   1103 N N   E CYS   B 2 71  ? -30.014 3.956   -5.774  0.17 29.93  ? 80  CYS   B N   1 
ATOM   1104 C CA  A CYS   B 2 71  ? -31.466 3.868   -5.731  0.25 30.83  ? 80  CYS   B CA  1 
ATOM   1105 C CA  B CYS   B 2 71  ? -31.466 3.868   -5.731  0.25 30.83  ? 80  CYS   B CA  1 
ATOM   1106 C CA  C CYS   B 2 71  ? -31.495 3.761   -5.790  0.16 30.44  ? 80  CYS   B CA  1 
ATOM   1107 C CA  D CYS   B 2 71  ? -31.495 3.761   -5.790  0.17 30.44  ? 80  CYS   B CA  1 
ATOM   1108 C CA  E CYS   B 2 71  ? -31.495 3.761   -5.790  0.17 30.44  ? 80  CYS   B CA  1 
ATOM   1109 C C   A CYS   B 2 71  ? -31.843 2.439   -5.203  0.25 30.96  ? 80  CYS   B C   1 
ATOM   1110 C C   B CYS   B 2 71  ? -31.843 2.439   -5.203  0.25 30.96  ? 80  CYS   B C   1 
ATOM   1111 C C   C CYS   B 2 71  ? -31.905 2.273   -5.593  0.16 30.68  ? 80  CYS   B C   1 
ATOM   1112 C C   D CYS   B 2 71  ? -31.905 2.273   -5.593  0.17 30.68  ? 80  CYS   B C   1 
ATOM   1113 C C   E CYS   B 2 71  ? -31.905 2.273   -5.593  0.17 30.68  ? 80  CYS   B C   1 
ATOM   1114 O O   A CYS   B 2 71  ? -32.942 2.291   -4.588  0.25 31.36  ? 80  CYS   B O   1 
ATOM   1115 O O   B CYS   B 2 71  ? -32.942 2.291   -4.588  0.25 31.36  ? 80  CYS   B O   1 
ATOM   1116 O O   C CYS   B 2 71  ? -33.155 1.929   -5.637  0.16 31.10  ? 80  CYS   B O   1 
ATOM   1117 O O   D CYS   B 2 71  ? -33.155 1.929   -5.637  0.17 31.10  ? 80  CYS   B O   1 
ATOM   1118 O O   E CYS   B 2 71  ? -33.155 1.929   -5.637  0.17 31.10  ? 80  CYS   B O   1 
ATOM   1119 C CB  A CYS   B 2 71  ? -32.106 4.102   -7.107  0.25 31.40  ? 80  CYS   B CB  1 
ATOM   1120 C CB  B CYS   B 2 71  ? -32.106 4.102   -7.107  0.25 31.40  ? 80  CYS   B CB  1 
ATOM   1121 C CB  C CYS   B 2 71  ? -32.078 4.210   -7.118  0.16 30.74  ? 80  CYS   B CB  1 
ATOM   1122 C CB  D CYS   B 2 71  ? -32.078 4.210   -7.118  0.17 30.74  ? 80  CYS   B CB  1 
ATOM   1123 C CB  E CYS   B 2 71  ? -32.078 4.210   -7.118  0.17 30.74  ? 80  CYS   B CB  1 
ATOM   1124 S SG  A CYS   B 2 71  ? -31.520 5.690   -7.949  0.25 32.08  ? 80  CYS   B SG  1 
ATOM   1125 S SG  B CYS   B 2 71  ? -31.520 5.690   -7.949  0.25 32.08  ? 80  CYS   B SG  1 
ATOM   1126 S SG  C CYS   B 2 71  ? -31.608 6.043   -7.351  0.16 30.59  ? 80  CYS   B SG  1 
ATOM   1127 S SG  D CYS   B 2 71  ? -31.608 6.043   -7.351  0.17 30.59  ? 80  CYS   B SG  1 
ATOM   1128 S SG  E CYS   B 2 71  ? -31.608 6.043   -7.351  0.17 30.59  ? 80  CYS   B SG  1 
ATOM   1129 N N   A GLY   B 2 72  ? -30.970 1.444   -5.419  0.25 30.84  ? 81  GLY   B N   1 
ATOM   1130 N N   B GLY   B 2 72  ? -30.970 1.444   -5.419  0.25 30.84  ? 81  GLY   B N   1 
ATOM   1131 N N   C GLY   B 2 72  ? -30.949 1.423   -5.199  0.16 30.55  ? 81  GLY   B N   1 
ATOM   1132 N N   D GLY   B 2 72  ? -30.949 1.423   -5.199  0.17 30.55  ? 81  GLY   B N   1 
ATOM   1133 N N   E GLY   B 2 72  ? -30.949 1.423   -5.199  0.17 30.55  ? 81  GLY   B N   1 
ATOM   1134 C CA  A GLY   B 2 72  ? -31.233 0.031   -5.085  0.25 31.01  ? 81  GLY   B CA  1 
ATOM   1135 C CA  B GLY   B 2 72  ? -31.233 0.031   -5.085  0.25 31.01  ? 81  GLY   B CA  1 
ATOM   1136 C CA  C GLY   B 2 72  ? -31.210 -0.024  -5.140  0.16 30.83  ? 81  GLY   B CA  1 
ATOM   1137 C CA  D GLY   B 2 72  ? -31.210 -0.024  -5.140  0.17 30.83  ? 81  GLY   B CA  1 
ATOM   1138 C CA  E GLY   B 2 72  ? -31.210 -0.024  -5.140  0.17 30.83  ? 81  GLY   B CA  1 
ATOM   1139 C C   A GLY   B 2 72  ? -29.933 -0.782  -4.961  0.25 30.69  ? 81  GLY   B C   1 
ATOM   1140 C C   B GLY   B 2 72  ? -29.933 -0.782  -4.961  0.25 30.69  ? 81  GLY   B C   1 
ATOM   1141 C C   C GLY   B 2 72  ? -29.919 -0.862  -5.156  0.16 30.61  ? 81  GLY   B C   1 
ATOM   1142 C C   D GLY   B 2 72  ? -29.919 -0.862  -5.156  0.17 30.61  ? 81  GLY   B C   1 
ATOM   1143 C C   E GLY   B 2 72  ? -29.919 -0.862  -5.156  0.17 30.61  ? 81  GLY   B C   1 
ATOM   1144 O O   A GLY   B 2 72  ? -28.708 -0.154  -5.313  0.25 30.32  ? 81  GLY   B O   1 
ATOM   1145 O O   B GLY   B 2 72  ? -28.708 -0.154  -5.313  0.25 30.32  ? 81  GLY   B O   1 
ATOM   1146 O O   C GLY   B 2 72  ? -28.783 -0.365  -5.597  0.16 30.28  ? 81  GLY   B O   1 
ATOM   1147 O O   D GLY   B 2 72  ? -28.783 -0.365  -5.597  0.17 30.28  ? 81  GLY   B O   1 
ATOM   1148 O O   E GLY   B 2 72  ? -28.783 -0.365  -5.597  0.17 30.28  ? 81  GLY   B O   1 
ATOM   1149 N N   A PRO   B 2 73  ? -30.085 -2.132  -4.866  0.25 30.97  ? 82  PRO   B N   1 
ATOM   1150 N N   B PRO   B 2 73  ? -30.085 -2.132  -4.866  0.25 30.97  ? 82  PRO   B N   1 
ATOM   1151 N N   C PRO   B 2 73  ? -30.109 -2.199  -4.993  0.16 30.94  ? 82  PRO   B N   1 
ATOM   1152 N N   D PRO   B 2 73  ? -30.109 -2.199  -4.993  0.17 30.94  ? 82  PRO   B N   1 
ATOM   1153 N N   E PRO   B 2 73  ? -30.109 -2.199  -4.993  0.17 30.94  ? 82  PRO   B N   1 
ATOM   1154 C CA  A PRO   B 2 73  ? -28.959 -3.121  -4.989  0.25 30.93  ? 82  PRO   B CA  1 
ATOM   1155 C CA  B PRO   B 2 73  ? -28.959 -3.121  -4.989  0.25 30.93  ? 82  PRO   B CA  1 
ATOM   1156 C CA  C PRO   B 2 73  ? -29.007 -3.180  -5.025  0.16 30.92  ? 82  PRO   B CA  1 
ATOM   1157 C CA  D PRO   B 2 73  ? -29.007 -3.180  -5.025  0.17 30.92  ? 82  PRO   B CA  1 
ATOM   1158 C CA  E PRO   B 2 73  ? -29.007 -3.180  -5.025  0.17 30.92  ? 82  PRO   B CA  1 
ATOM   1159 C C   A PRO   B 2 73  ? -28.495 -3.318  -6.462  0.25 30.99  ? 82  PRO   B C   1 
ATOM   1160 C C   B PRO   B 2 73  ? -28.495 -3.318  -6.462  0.25 30.99  ? 82  PRO   B C   1 
ATOM   1161 C C   C PRO   B 2 73  ? -28.505 -3.370  -6.484  0.16 30.98  ? 82  PRO   B C   1 
ATOM   1162 C C   D PRO   B 2 73  ? -28.505 -3.370  -6.484  0.17 30.98  ? 82  PRO   B C   1 
ATOM   1163 C C   E PRO   B 2 73  ? -28.505 -3.370  -6.484  0.17 30.98  ? 82  PRO   B C   1 
ATOM   1164 O O   A PRO   B 2 73  ? -29.300 -2.925  -7.369  0.25 31.30  ? 82  PRO   B O   1 
ATOM   1165 O O   B PRO   B 2 73  ? -29.300 -2.925  -7.369  0.25 31.30  ? 82  PRO   B O   1 
ATOM   1166 O O   C PRO   B 2 73  ? -29.300 -3.036  -7.419  0.16 31.27  ? 82  PRO   B O   1 
ATOM   1167 O O   D PRO   B 2 73  ? -29.300 -3.036  -7.419  0.17 31.27  ? 82  PRO   B O   1 
ATOM   1168 O O   E PRO   B 2 73  ? -29.300 -3.036  -7.419  0.17 31.27  ? 82  PRO   B O   1 
ATOM   1169 C CB  A PRO   B 2 73  ? -29.544 -4.422  -4.394  0.25 31.44  ? 82  PRO   B CB  1 
ATOM   1170 C CB  B PRO   B 2 73  ? -29.544 -4.422  -4.394  0.25 31.44  ? 82  PRO   B CB  1 
ATOM   1171 C CB  C PRO   B 2 73  ? -29.635 -4.469  -4.460  0.16 31.45  ? 82  PRO   B CB  1 
ATOM   1172 C CB  D PRO   B 2 73  ? -29.635 -4.469  -4.460  0.17 31.45  ? 82  PRO   B CB  1 
ATOM   1173 C CB  E PRO   B 2 73  ? -29.635 -4.469  -4.460  0.17 31.45  ? 82  PRO   B CB  1 
ATOM   1174 C CG  A PRO   B 2 73  ? -31.022 -4.368  -4.715  0.25 31.85  ? 82  PRO   B CG  1 
ATOM   1175 C CG  B PRO   B 2 73  ? -31.022 -4.368  -4.715  0.25 31.85  ? 82  PRO   B CG  1 
ATOM   1176 C CG  C PRO   B 2 73  ? -31.111 -4.349  -4.783  0.16 31.85  ? 82  PRO   B CG  1 
ATOM   1177 C CG  D PRO   B 2 73  ? -31.111 -4.349  -4.783  0.17 31.85  ? 82  PRO   B CG  1 
ATOM   1178 C CG  E PRO   B 2 73  ? -31.111 -4.349  -4.783  0.17 31.85  ? 82  PRO   B CG  1 
ATOM   1179 C CD  A PRO   B 2 73  ? -31.402 -2.901  -4.720  0.25 31.51  ? 82  PRO   B CD  1 
ATOM   1180 C CD  B PRO   B 2 73  ? -31.402 -2.901  -4.720  0.25 31.51  ? 82  PRO   B CD  1 
ATOM   1181 C CD  C PRO   B 2 73  ? -31.423 -2.868  -4.722  0.16 31.47  ? 82  PRO   B CD  1 
ATOM   1182 C CD  D PRO   B 2 73  ? -31.423 -2.868  -4.722  0.17 31.47  ? 82  PRO   B CD  1 
ATOM   1183 C CD  E PRO   B 2 73  ? -31.423 -2.868  -4.722  0.17 31.47  ? 82  PRO   B CD  1 
ATOM   1184 N N   . TRP   B 2 74  ? -27.197 -3.732  -6.597  1.00 30.78  ? 83  TRP   B N   1 
ATOM   1185 C CA  . TRP   B 2 74  ? -26.543 -4.079  -7.892  1.00 30.84  ? 83  TRP   B CA  1 
ATOM   1186 C C   . TRP   B 2 74  ? -27.386 -5.106  -8.641  1.00 31.71  ? 83  TRP   B C   1 
ATOM   1187 O O   . TRP   B 2 74  ? -27.665 -6.175  -8.112  1.00 32.03  ? 83  TRP   B O   1 
ATOM   1188 C CB  . TRP   B 2 74  ? -25.135 -4.619  -7.608  1.00 30.44  ? 83  TRP   B CB  1 
ATOM   1189 C CG  . TRP   B 2 74  ? -24.319 -4.830  -8.843  1.00 30.03  ? 83  TRP   B CG  1 
ATOM   1190 C CD1 . TRP   B 2 74  ? -24.287 -5.937  -9.635  1.00 30.49  ? 83  TRP   B CD1 1 
ATOM   1191 C CD2 . TRP   B 2 74  ? -23.436 -3.863  -9.440  1.00 29.67  ? 83  TRP   B CD2 1 
ATOM   1192 N NE1 . TRP   B 2 74  ? -23.437 -5.730  -10.692 1.00 30.42  ? 83  TRP   B NE1 1 
ATOM   1193 C CE2 . TRP   B 2 74  ? -22.904 -4.473  -10.602 1.00 29.86  ? 83  TRP   B CE2 1 
ATOM   1194 C CE3 . TRP   B 2 74  ? -23.090 -2.530  -9.164  1.00 29.11  ? 83  TRP   B CE3 1 
ATOM   1195 C CZ2 . TRP   B 2 74  ? -22.025 -3.805  -11.463 1.00 29.74  ? 83  TRP   B CZ2 1 
ATOM   1196 C CZ3 . TRP   B 2 74  ? -22.223 -1.876  -10.019 1.00 29.15  ? 83  TRP   B CZ3 1 
ATOM   1197 C CH2 . TRP   B 2 74  ? -21.696 -2.509  -11.159 1.00 29.32  ? 83  TRP   B CH2 1 
ATOM   1198 N N   . LYS   B 2 75  ? -27.668 -4.864  -9.939  1.00 32.33  ? 84  LYS   B N   1 
ATOM   1199 C CA  . LYS   B 2 75  ? -28.666 -5.656  -10.709 1.00 33.63  ? 84  LYS   B CA  1 
ATOM   1200 C C   . LYS   B 2 75  ? -27.967 -6.468  -11.815 1.00 34.33  ? 84  LYS   B C   1 
ATOM   1201 O O   . LYS   B 2 75  ? -28.646 -7.349  -12.400 1.00 35.99  ? 84  LYS   B O   1 
ATOM   1202 C CB  . LYS   B 2 75  ? -29.682 -4.734  -11.388 1.00 33.85  ? 84  LYS   B CB  1 
ATOM   1203 C CG  . LYS   B 2 75  ? -30.575 -3.904  -10.483 1.00 33.74  ? 84  LYS   B CG  1 
ATOM   1204 C CD  . LYS   B 2 75  ? -31.646 -4.726  -9.775  1.00 34.46  ? 84  LYS   B CD  1 
ATOM   1205 C CE  . LYS   B 2 75  ? -32.467 -3.910  -8.787  1.00 34.63  ? 84  LYS   B CE  1 
ATOM   1206 N NZ  . LYS   B 2 75  ? -33.626 -4.678  -8.276  1.00 35.50  ? 84  LYS   B NZ  1 
ATOM   1207 N N   . LEU   B 2 76  ? -26.706 -6.167  -12.135 1.00 34.48  ? 85  LEU   B N   1 
ATOM   1208 C CA  . LEU   B 2 76  ? -26.009 -6.706  -13.340 1.00 35.69  ? 85  LEU   B CA  1 
ATOM   1209 C C   . LEU   B 2 76  ? -25.256 -7.978  -12.956 1.00 37.26  ? 85  LEU   B C   1 
ATOM   1210 O O   . LEU   B 2 76  ? -24.332 -7.895  -12.114 1.00 37.08  ? 85  LEU   B O   1 
ATOM   1211 C CB  . LEU   B 2 76  ? -25.059 -5.632  -13.864 1.00 34.96  ? 85  LEU   B CB  1 
ATOM   1212 C CG  . LEU   B 2 76  ? -25.724 -4.257  -13.965 1.00 34.35  ? 85  LEU   B CG  1 
ATOM   1213 C CD1 . LEU   B 2 76  ? -24.788 -3.248  -14.569 1.00 34.08  ? 85  LEU   B CD1 1 
ATOM   1214 C CD2 . LEU   B 2 76  ? -27.056 -4.342  -14.693 1.00 34.90  ? 85  LEU   B CD2 1 
ATOM   1215 N N   . ASP   B 2 77  ? -25.639 -9.118  -13.524 1.00 39.80  ? 86  ASP   B N   1 
ATOM   1216 C CA  . ASP   B 2 77  ? -25.054 -10.406 -13.086 1.00 42.45  ? 86  ASP   B CA  1 
ATOM   1217 C C   . ASP   B 2 77  ? -24.541 -11.241 -14.266 1.00 42.18  ? 86  ASP   B C   1 
ATOM   1218 O O   . ASP   B 2 77  ? -24.016 -12.331 -14.017 1.00 42.28  ? 86  ASP   B O   1 
ATOM   1219 C CB  . ASP   B 2 77  ? -26.045 -11.158 -12.190 1.00 45.32  ? 86  ASP   B CB  1 
ATOM   1220 C CG  . ASP   B 2 77  ? -27.390 -11.406 -12.846 1.00 49.01  ? 86  ASP   B CG  1 
ATOM   1221 O OD1 . ASP   B 2 77  ? -27.556 -11.082 -14.062 1.00 52.01  ? 86  ASP   B OD1 1 
ATOM   1222 O OD2 . ASP   B 2 77  ? -28.269 -11.932 -12.144 1.00 53.58  ? 86  ASP   B OD2 1 
ATOM   1223 N N   . ALA   B 2 78  ? -24.593 -10.735 -15.496 1.00 41.46  ? 87  ALA   B N   1 
ATOM   1224 C CA  . ALA   B 2 78  ? -24.063 -11.484 -16.659 1.00 41.42  ? 87  ALA   B CA  1 
ATOM   1225 C C   . ALA   B 2 78  ? -22.527 -11.559 -16.535 1.00 40.77  ? 87  ALA   B C   1 
ATOM   1226 O O   . ALA   B 2 78  ? -21.877 -10.602 -15.912 1.00 39.70  ? 87  ALA   B O   1 
ATOM   1227 C CB  . ALA   B 2 78  ? -24.480 -10.859 -17.981 1.00 41.90  ? 87  ALA   B CB  1 
ATOM   1228 N N   . ALA   B 2 79  ? -21.970 -12.634 -17.102 1.00 41.44  ? 88  ALA   B N   1 
ATOM   1229 C CA  . ALA   B 2 79  ? -20.534 -12.976 -17.032 1.00 41.61  ? 88  ALA   B CA  1 
ATOM   1230 C C   . ALA   B 2 79  ? -19.993 -13.215 -18.459 1.00 41.82  ? 88  ALA   B C   1 
ATOM   1231 O O   . ALA   B 2 79  ? -20.683 -13.829 -19.245 1.00 42.80  ? 88  ALA   B O   1 
ATOM   1232 C CB  . ALA   B 2 79  ? -20.347 -14.226 -16.167 1.00 42.34  ? 88  ALA   B CB  1 
ATOM   1233 N N   . TRP   B 2 80  ? -18.792 -12.678 -18.724 1.00 41.51  ? 89  TRP   B N   1 
ATOM   1234 C CA  . TRP   B 2 80  ? -17.910 -13.127 -19.836 1.00 42.96  ? 89  TRP   B CA  1 
ATOM   1235 C C   . TRP   B 2 80  ? -17.873 -14.660 -19.849 1.00 44.92  ? 89  TRP   B C   1 
ATOM   1236 O O   . TRP   B 2 80  ? -17.780 -15.273 -18.705 1.00 44.41  ? 89  TRP   B O   1 
ATOM   1237 C CB  . TRP   B 2 80  ? -16.501 -12.527 -19.781 1.00 42.22  ? 89  TRP   B CB  1 
ATOM   1238 C CG  . TRP   B 2 80  ? -15.696 -12.854 -21.001 1.00 42.93  ? 89  TRP   B CG  1 
ATOM   1239 C CD1 . TRP   B 2 80  ? -16.149 -12.901 -22.288 1.00 43.46  ? 89  TRP   B CD1 1 
ATOM   1240 C CD2 . TRP   B 2 80  ? -14.314 -13.233 -21.056 1.00 43.22  ? 89  TRP   B CD2 1 
ATOM   1241 N NE1 . TRP   B 2 80  ? -15.145 -13.262 -23.147 1.00 44.26  ? 89  TRP   B NE1 1 
ATOM   1242 C CE2 . TRP   B 2 80  ? -14.015 -13.515 -22.408 1.00 44.01  ? 89  TRP   B CE2 1 
ATOM   1243 C CE3 . TRP   B 2 80  ? -13.320 -13.442 -20.084 1.00 42.51  ? 89  TRP   B CE3 1 
ATOM   1244 C CZ2 . TRP   B 2 80  ? -12.745 -13.884 -22.831 1.00 44.44  ? 89  TRP   B CZ2 1 
ATOM   1245 C CZ3 . TRP   B 2 80  ? -12.063 -13.831 -20.510 1.00 43.14  ? 89  TRP   B CZ3 1 
ATOM   1246 C CH2 . TRP   B 2 80  ? -11.788 -14.049 -21.864 1.00 43.99  ? 89  TRP   B CH2 1 
ATOM   1247 N N   . ASP   B 2 81  ? -18.027 -15.236 -21.062 1.00 47.17  ? 90  ASP   B N   1 
ATOM   1248 C CA  . ASP   B 2 81  ? -18.089 -16.705 -21.296 1.00 50.22  ? 90  ASP   B CA  1 
ATOM   1249 C C   . ASP   B 2 81  ? -16.663 -17.293 -21.097 1.00 51.86  ? 90  ASP   B C   1 
ATOM   1250 O O   . ASP   B 2 81  ? -16.546 -18.487 -20.788 1.00 55.08  ? 90  ASP   B O   1 
ATOM   1251 C CB  . ASP   B 2 81  ? -18.769 -17.070 -22.636 1.00 50.48  ? 90  ASP   B CB  1 
ATOM   1252 C CG  . ASP   B 2 81  ? -18.056 -16.685 -23.923 1.00 51.90  ? 90  ASP   B CG  1 
ATOM   1253 O OD1 . ASP   B 2 81  ? -16.860 -16.150 -23.853 1.00 52.08  ? 90  ASP   B OD1 1 
ATOM   1254 O OD2 . ASP   B 2 81  ? -18.894 -16.749 -25.014 1.00 55.17  ? 90  ASP   B OD2 1 
ATOM   1255 N N   . GLY   B 2 82  ? -15.641 -16.436 -21.372 1.00 51.46  ? 91  GLY   B N   1 
ATOM   1256 C CA  . GLY   B 2 82  ? -14.202 -16.802 -21.372 1.00 50.93  ? 91  GLY   B CA  1 
ATOM   1257 C C   . GLY   B 2 82  ? -13.711 -17.198 -22.765 1.00 51.74  ? 91  GLY   B C   1 
ATOM   1258 O O   . GLY   B 2 82  ? -12.547 -17.652 -22.869 1.00 53.39  ? 91  GLY   B O   1 
ATOM   1259 N N   . LEU   B 2 83  ? -14.550 -17.061 -23.802 1.00 51.40  ? 92  LEU   B N   1 
ATOM   1260 C CA  . LEU   B 2 83  ? -14.253 -17.500 -25.199 1.00 51.93  ? 92  LEU   B CA  1 
ATOM   1261 C C   . LEU   B 2 83  ? -14.535 -16.394 -26.231 1.00 51.22  ? 92  LEU   B C   1 
ATOM   1262 O O   . LEU   B 2 83  ? -13.661 -16.197 -27.217 1.00 51.86  ? 92  LEU   B O   1 
ATOM   1263 C CB  . LEU   B 2 83  ? -15.171 -18.678 -25.541 1.00 53.28  ? 92  LEU   B CB  1 
ATOM   1264 C CG  . LEU   B 2 83  ? -14.774 -20.081 -25.079 1.00 54.72  ? 92  LEU   B CG  1 
ATOM   1265 C CD1 . LEU   B 2 83  ? -15.600 -21.108 -25.851 1.00 55.66  ? 92  LEU   B CD1 1 
ATOM   1266 C CD2 . LEU   B 2 83  ? -13.289 -20.374 -25.285 1.00 55.25  ? 92  LEU   B CD2 1 
ATOM   1267 N N   . SER   B 2 84  ? -15.767 -15.849 -26.190 1.00 49.44  ? 93  SER   B N   1 
ATOM   1268 C CA  . SER   B 2 84  ? -16.336 -15.032 -27.299 1.00 48.37  ? 93  SER   B CA  1 
ATOM   1269 C C   . SER   B 2 84  ? -15.830 -13.606 -27.203 1.00 46.43  ? 93  SER   B C   1 
ATOM   1270 O O   . SER   B 2 84  ? -15.495 -13.122 -26.069 1.00 46.08  ? 93  SER   B O   1 
ATOM   1271 C CB  . SER   B 2 84  ? -17.825 -14.978 -27.239 1.00 49.09  ? 93  SER   B CB  1 
ATOM   1272 O OG  . SER   B 2 84  ? -18.338 -16.371 -26.974 1.00 51.13  ? 93  SER   B OG  1 
ATOM   1273 N N   A GLU   B 2 85  ? -15.722 -12.936 -28.370 0.22 46.65  ? 94  GLU   B N   1 
ATOM   1274 N N   B GLU   B 2 85  ? -15.719 -12.937 -28.370 0.23 46.66  ? 94  GLU   B N   1 
ATOM   1275 N N   C GLU   B 2 85  ? -15.838 -12.898 -28.356 0.18 46.58  ? 94  GLU   B N   1 
ATOM   1276 N N   D GLU   B 2 85  ? -15.836 -12.899 -28.356 0.18 46.58  ? 94  GLU   B N   1 
ATOM   1277 N N   E GLU   B 2 85  ? -15.838 -12.898 -28.356 0.18 46.58  ? 94  GLU   B N   1 
ATOM   1278 C CA  A GLU   B 2 85  ? -15.488 -11.467 -28.405 0.22 45.53  ? 94  GLU   B CA  1 
ATOM   1279 C CA  B GLU   B 2 85  ? -15.486 -11.467 -28.403 0.23 45.53  ? 94  GLU   B CA  1 
ATOM   1280 C CA  C GLU   B 2 85  ? -15.643 -11.420 -28.391 0.18 45.44  ? 94  GLU   B CA  1 
ATOM   1281 C CA  D GLU   B 2 85  ? -15.642 -11.420 -28.391 0.18 45.44  ? 94  GLU   B CA  1 
ATOM   1282 C CA  E GLU   B 2 85  ? -15.643 -11.420 -28.391 0.18 45.44  ? 94  GLU   B CA  1 
ATOM   1283 C C   A GLU   B 2 85  ? -16.671 -10.827 -27.561 0.22 44.06  ? 94  GLU   B C   1 
ATOM   1284 C C   B GLU   B 2 85  ? -16.670 -10.836 -27.545 0.23 44.06  ? 94  GLU   B C   1 
ATOM   1285 C C   C GLU   B 2 85  ? -16.866 -10.754 -27.637 0.18 44.08  ? 94  GLU   B C   1 
ATOM   1286 C C   D GLU   B 2 85  ? -16.865 -10.755 -27.636 0.18 44.08  ? 94  GLU   B C   1 
ATOM   1287 C C   E GLU   B 2 85  ? -16.866 -10.754 -27.637 0.18 44.08  ? 94  GLU   B C   1 
ATOM   1288 O O   A GLU   B 2 85  ? -17.752 -11.524 -27.158 0.22 44.21  ? 94  GLU   B O   1 
ATOM   1289 O O   B GLU   B 2 85  ? -17.740 -11.538 -27.159 0.23 44.23  ? 94  GLU   B O   1 
ATOM   1290 O O   C GLU   B 2 85  ? -17.979 -11.369 -27.160 0.18 44.14  ? 94  GLU   B O   1 
ATOM   1291 O O   D GLU   B 2 85  ? -17.977 -11.371 -27.159 0.18 44.14  ? 94  GLU   B O   1 
ATOM   1292 O O   E GLU   B 2 85  ? -17.979 -11.369 -27.160 0.18 44.14  ? 94  GLU   B O   1 
ATOM   1293 C CB  A GLU   B 2 85  ? -15.295 -10.983 -29.853 0.22 46.43  ? 94  GLU   B CB  1 
ATOM   1294 C CB  B GLU   B 2 85  ? -15.296 -10.982 -29.850 0.23 46.43  ? 94  GLU   B CB  1 
ATOM   1295 C CB  C GLU   B 2 85  ? -15.434 -10.909 -29.827 0.18 46.24  ? 94  GLU   B CB  1 
ATOM   1296 C CB  D GLU   B 2 85  ? -15.433 -10.908 -29.827 0.18 46.24  ? 94  GLU   B CB  1 
ATOM   1297 C CB  E GLU   B 2 85  ? -15.434 -10.909 -29.827 0.18 46.24  ? 94  GLU   B CB  1 
ATOM   1298 C CG  A GLU   B 2 85  ? -13.950 -11.434 -30.425 0.22 47.32  ? 94  GLU   B CG  1 
ATOM   1299 C CG  B GLU   B 2 85  ? -13.950 -11.432 -30.424 0.23 47.32  ? 94  GLU   B CG  1 
ATOM   1300 C CG  C GLU   B 2 85  ? -14.004 -11.110 -30.321 0.18 46.92  ? 94  GLU   B CG  1 
ATOM   1301 C CG  D GLU   B 2 85  ? -14.003 -11.108 -30.322 0.18 46.92  ? 94  GLU   B CG  1 
ATOM   1302 C CG  E GLU   B 2 85  ? -14.004 -11.109 -30.321 0.18 46.92  ? 94  GLU   B CG  1 
ATOM   1303 C CD  A GLU   B 2 85  ? -13.546 -10.935 -31.814 0.22 48.30  ? 94  GLU   B CD  1 
ATOM   1304 C CD  B GLU   B 2 85  ? -13.546 -10.937 -31.816 0.23 48.31  ? 94  GLU   B CD  1 
ATOM   1305 C CD  C GLU   B 2 85  ? -13.561 -10.301 -31.544 0.18 47.60  ? 94  GLU   B CD  1 
ATOM   1306 C CD  D GLU   B 2 85  ? -13.559 -10.299 -31.545 0.18 47.60  ? 94  GLU   B CD  1 
ATOM   1307 C CD  E GLU   B 2 85  ? -13.561 -10.301 -31.544 0.18 47.60  ? 94  GLU   B CD  1 
ATOM   1308 O OE1 A GLU   B 2 85  ? -14.235 -9.999  -32.321 0.22 48.24  ? 94  GLU   B OE1 1 
ATOM   1309 O OE1 B GLU   B 2 85  ? -14.234 -10.002 -32.325 0.23 48.25  ? 94  GLU   B OE1 1 
ATOM   1310 O OE1 C GLU   B 2 85  ? -14.437 -9.846  -32.308 0.18 47.94  ? 94  GLU   B OE1 1 
ATOM   1311 O OE1 D GLU   B 2 85  ? -14.435 -9.844  -32.309 0.18 47.94  ? 94  GLU   B OE1 1 
ATOM   1312 O OE1 E GLU   B 2 85  ? -14.437 -9.846  -32.308 0.18 47.94  ? 94  GLU   B OE1 1 
ATOM   1313 O OE2 A GLU   B 2 85  ? -12.517 -11.453 -32.395 0.22 49.30  ? 94  GLU   B OE2 1 
ATOM   1314 O OE2 B GLU   B 2 85  ? -12.517 -11.458 -32.398 0.23 49.31  ? 94  GLU   B OE2 1 
ATOM   1315 O OE2 C GLU   B 2 85  ? -12.312 -10.118 -31.734 0.18 47.90  ? 94  GLU   B OE2 1 
ATOM   1316 O OE2 D GLU   B 2 85  ? -12.310 -10.110 -31.731 0.18 47.90  ? 94  GLU   B OE2 1 
ATOM   1317 O OE2 E GLU   B 2 85  ? -12.312 -10.118 -31.734 0.18 47.90  ? 94  GLU   B OE2 1 
ATOM   1318 N N   A VAL   B 2 86  ? -16.268 -9.516  -27.143 0.22 42.50  ? 95  VAL   B N   1 
ATOM   1319 N N   B VAL   B 2 86  ? -16.265 -9.515  -27.142 0.23 42.49  ? 95  VAL   B N   1 
ATOM   1320 N N   C VAL   B 2 86  ? -16.462 -9.476  -27.144 0.18 42.56  ? 95  VAL   B N   1 
ATOM   1321 N N   D VAL   B 2 86  ? -16.461 -9.477  -27.144 0.18 42.56  ? 95  VAL   B N   1 
ATOM   1322 N N   E VAL   B 2 86  ? -16.462 -9.476  -27.144 0.18 42.56  ? 95  VAL   B N   1 
ATOM   1323 C CA  A VAL   B 2 86  ? -17.215 -8.605  -26.440 0.22 41.15  ? 95  VAL   B CA  1 
ATOM   1324 C CA  B VAL   B 2 86  ? -17.213 -8.603  -26.441 0.23 41.14  ? 95  VAL   B CA  1 
ATOM   1325 C CA  C VAL   B 2 86  ? -17.397 -8.556  -26.435 0.18 41.23  ? 95  VAL   B CA  1 
ATOM   1326 C CA  D VAL   B 2 86  ? -17.397 -8.556  -26.435 0.18 41.23  ? 95  VAL   B CA  1 
ATOM   1327 C CA  E VAL   B 2 86  ? -17.397 -8.556  -26.435 0.18 41.23  ? 95  VAL   B CA  1 
ATOM   1328 C C   A VAL   B 2 86  ? -17.164 -7.235  -27.130 0.22 40.77  ? 95  VAL   B C   1 
ATOM   1329 C C   B VAL   B 2 86  ? -17.162 -7.234  -27.134 0.23 40.77  ? 95  VAL   B C   1 
ATOM   1330 C C   C VAL   B 2 86  ? -17.389 -7.206  -27.160 0.18 40.87  ? 95  VAL   B C   1 
ATOM   1331 C C   D VAL   B 2 86  ? -17.388 -7.206  -27.160 0.18 40.87  ? 95  VAL   B C   1 
ATOM   1332 C C   E VAL   B 2 86  ? -17.389 -7.206  -27.160 0.18 40.87  ? 95  VAL   B C   1 
ATOM   1333 O O   A VAL   B 2 86  ? -16.313 -7.053  -28.139 0.22 41.51  ? 95  VAL   B O   1 
ATOM   1334 O O   B VAL   B 2 86  ? -16.316 -7.054  -28.159 0.23 41.53  ? 95  VAL   B O   1 
ATOM   1335 O O   C VAL   B 2 86  ? -16.659 -7.083  -28.204 0.18 41.45  ? 95  VAL   B O   1 
ATOM   1336 O O   D VAL   B 2 86  ? -16.658 -7.084  -28.206 0.18 41.45  ? 95  VAL   B O   1 
ATOM   1337 O O   E VAL   B 2 86  ? -16.659 -7.083  -28.204 0.18 41.45  ? 95  VAL   B O   1 
ATOM   1338 C CB  A VAL   B 2 86  ? -16.896 -8.530  -24.933 0.22 40.12  ? 95  VAL   B CB  1 
ATOM   1339 C CB  B VAL   B 2 86  ? -16.896 -8.528  -24.934 0.23 40.12  ? 95  VAL   B CB  1 
ATOM   1340 C CB  C VAL   B 2 86  ? -16.995 -8.413  -24.954 0.18 40.25  ? 95  VAL   B CB  1 
ATOM   1341 C CB  D VAL   B 2 86  ? -16.995 -8.413  -24.954 0.18 40.25  ? 95  VAL   B CB  1 
ATOM   1342 C CB  E VAL   B 2 86  ? -16.995 -8.413  -24.954 0.18 40.25  ? 95  VAL   B CB  1 
ATOM   1343 C CG1 A VAL   B 2 86  ? -16.918 -9.918  -24.321 0.22 40.37  ? 95  VAL   B CG1 1 
ATOM   1344 C CG1 B VAL   B 2 86  ? -16.917 -9.916  -24.323 0.23 40.36  ? 95  VAL   B CG1 1 
ATOM   1345 C CG1 C VAL   B 2 86  ? -16.925 -9.771  -24.287 0.18 40.43  ? 95  VAL   B CG1 1 
ATOM   1346 C CG1 D VAL   B 2 86  ? -16.925 -9.771  -24.287 0.18 40.43  ? 95  VAL   B CG1 1 
ATOM   1347 C CG1 E VAL   B 2 86  ? -16.925 -9.771  -24.287 0.18 40.43  ? 95  VAL   B CG1 1 
ATOM   1348 C CG2 A VAL   B 2 86  ? -15.569 -7.837  -24.666 0.22 39.85  ? 95  VAL   B CG2 1 
ATOM   1349 C CG2 B VAL   B 2 86  ? -15.570 -7.835  -24.668 0.23 39.84  ? 95  VAL   B CG2 1 
ATOM   1350 C CG2 C VAL   B 2 86  ? -15.681 -7.662  -24.795 0.18 40.02  ? 95  VAL   B CG2 1 
ATOM   1351 C CG2 D VAL   B 2 86  ? -15.681 -7.662  -24.795 0.18 40.02  ? 95  VAL   B CG2 1 
ATOM   1352 C CG2 E VAL   B 2 86  ? -15.681 -7.662  -24.795 0.18 40.02  ? 95  VAL   B CG2 1 
ATOM   1353 N N   A GLN   B 2 87  ? -18.080 -6.348  -26.700 0.22 39.70  ? 96  GLN   B N   1 
ATOM   1354 N N   B GLN   B 2 87  ? -18.078 -6.348  -26.700 0.23 39.69  ? 96  GLN   B N   1 
ATOM   1355 N N   C GLN   B 2 87  ? -18.179 -6.249  -26.647 0.18 39.76  ? 96  GLN   B N   1 
ATOM   1356 N N   D GLN   B 2 87  ? -18.179 -6.249  -26.647 0.18 39.76  ? 96  GLN   B N   1 
ATOM   1357 N N   E GLN   B 2 87  ? -18.179 -6.249  -26.647 0.18 39.76  ? 96  GLN   B N   1 
ATOM   1358 C CA  A GLN   B 2 87  ? -18.137 -4.941  -27.166 0.22 39.35  ? 96  GLN   B CA  1 
ATOM   1359 C CA  B GLN   B 2 87  ? -18.136 -4.940  -27.165 0.23 39.35  ? 96  GLN   B CA  1 
ATOM   1360 C CA  C GLN   B 2 87  ? -18.203 -4.839  -27.120 0.18 39.46  ? 96  GLN   B CA  1 
ATOM   1361 C CA  D GLN   B 2 87  ? -18.203 -4.840  -27.120 0.18 39.46  ? 96  GLN   B CA  1 
ATOM   1362 C CA  E GLN   B 2 87  ? -18.203 -4.839  -27.120 0.18 39.46  ? 96  GLN   B CA  1 
ATOM   1363 C C   A GLN   B 2 87  ? -18.036 -4.056  -25.906 0.22 38.19  ? 96  GLN   B C   1 
ATOM   1364 C C   B GLN   B 2 87  ? -18.033 -4.059  -25.902 0.23 38.18  ? 96  GLN   B C   1 
ATOM   1365 C C   C GLN   B 2 87  ? -18.085 -3.926  -25.887 0.18 38.32  ? 96  GLN   B C   1 
ATOM   1366 C C   D GLN   B 2 87  ? -18.085 -3.926  -25.886 0.18 38.32  ? 96  GLN   B C   1 
ATOM   1367 C C   E GLN   B 2 87  ? -18.085 -3.926  -25.887 0.18 38.32  ? 96  GLN   B C   1 
ATOM   1368 O O   A GLN   B 2 87  ? -18.796 -4.361  -24.829 0.22 37.49  ? 96  GLN   B O   1 
ATOM   1369 O O   B GLN   B 2 87  ? -18.785 -4.371  -24.820 0.23 37.49  ? 96  GLN   B O   1 
ATOM   1370 O O   C GLN   B 2 87  ? -18.917 -4.132  -24.875 0.18 37.65  ? 96  GLN   B O   1 
ATOM   1371 O O   D GLN   B 2 87  ? -18.919 -4.132  -24.874 0.18 37.65  ? 96  GLN   B O   1 
ATOM   1372 O O   E GLN   B 2 87  ? -18.917 -4.132  -24.875 0.18 37.65  ? 96  GLN   B O   1 
ATOM   1373 C CB  A GLN   B 2 87  ? -19.354 -4.709  -28.075 0.22 39.59  ? 96  GLN   B CB  1 
ATOM   1374 C CB  B GLN   B 2 87  ? -19.354 -4.707  -28.075 0.23 39.59  ? 96  GLN   B CB  1 
ATOM   1375 C CB  C GLN   B 2 87  ? -19.442 -4.574  -27.993 0.18 39.74  ? 96  GLN   B CB  1 
ATOM   1376 C CB  D GLN   B 2 87  ? -19.442 -4.574  -27.992 0.18 39.74  ? 96  GLN   B CB  1 
ATOM   1377 C CB  E GLN   B 2 87  ? -19.442 -4.574  -27.993 0.18 39.74  ? 96  GLN   B CB  1 
ATOM   1378 C CG  A GLN   B 2 87  ? -19.204 -5.406  -29.420 0.22 40.50  ? 96  GLN   B CG  1 
ATOM   1379 C CG  B GLN   B 2 87  ? -19.206 -5.405  -29.418 0.23 40.50  ? 96  GLN   B CG  1 
ATOM   1380 C CG  C GLN   B 2 87  ? -19.315 -5.139  -29.404 0.18 40.71  ? 96  GLN   B CG  1 
ATOM   1381 C CG  D GLN   B 2 87  ? -19.315 -5.138  -29.404 0.18 40.71  ? 96  GLN   B CG  1 
ATOM   1382 C CG  E GLN   B 2 87  ? -19.315 -5.139  -29.404 0.18 40.71  ? 96  GLN   B CG  1 
ATOM   1383 C CD  A GLN   B 2 87  ? -20.362 -5.193  -30.380 0.22 40.88  ? 96  GLN   B CD  1 
ATOM   1384 C CD  B GLN   B 2 87  ? -20.363 -5.191  -30.380 0.23 40.87  ? 96  GLN   B CD  1 
ATOM   1385 C CD  C GLN   B 2 87  ? -20.356 -4.618  -30.376 0.18 41.06  ? 96  GLN   B CD  1 
ATOM   1386 C CD  D GLN   B 2 87  ? -20.356 -4.618  -30.375 0.18 41.06  ? 96  GLN   B CD  1 
ATOM   1387 C CD  E GLN   B 2 87  ? -20.356 -4.618  -30.376 0.18 41.06  ? 96  GLN   B CD  1 
ATOM   1388 O OE1 A GLN   B 2 87  ? -21.474 -4.773  -30.012 0.22 40.19  ? 96  GLN   B OE1 1 
ATOM   1389 O OE1 B GLN   B 2 87  ? -21.477 -4.772  -30.015 0.23 40.18  ? 96  GLN   B OE1 1 
ATOM   1390 O OE1 C GLN   B 2 87  ? -21.327 -3.958  -30.008 0.18 40.42  ? 96  GLN   B OE1 1 
ATOM   1391 O OE1 D GLN   B 2 87  ? -21.327 -3.958  -30.008 0.18 40.42  ? 96  GLN   B OE1 1 
ATOM   1392 O OE1 E GLN   B 2 87  ? -21.327 -3.958  -30.008 0.18 40.42  ? 96  GLN   B OE1 1 
ATOM   1393 N NE2 A GLN   B 2 87  ? -20.092 -5.511  -31.650 0.22 41.65  ? 96  GLN   B NE2 1 
ATOM   1394 N NE2 B GLN   B 2 87  ? -20.090 -5.509  -31.650 0.23 41.63  ? 96  GLN   B NE2 1 
ATOM   1395 N NE2 C GLN   B 2 87  ? -20.155 -4.923  -31.654 0.18 42.00  ? 96  GLN   B NE2 1 
ATOM   1396 N NE2 D GLN   B 2 87  ? -20.155 -4.923  -31.654 0.18 42.00  ? 96  GLN   B NE2 1 
ATOM   1397 N NE2 E GLN   B 2 87  ? -20.155 -4.923  -31.654 0.18 42.00  ? 96  GLN   B NE2 1 
ATOM   1398 N N   A LEU   B 2 88  ? -17.046 -3.113  -25.978 0.22 37.99  ? 97  LEU   B N   1 
ATOM   1399 N N   B LEU   B 2 88  ? -17.045 -3.111  -25.980 0.23 37.98  ? 97  LEU   B N   1 
ATOM   1400 N N   C LEU   B 2 88  ? -17.054 -3.037  -25.914 0.18 38.09  ? 97  LEU   B N   1 
ATOM   1401 N N   D LEU   B 2 88  ? -17.054 -3.037  -25.913 0.18 38.09  ? 97  LEU   B N   1 
ATOM   1402 N N   E LEU   B 2 88  ? -17.054 -3.037  -25.914 0.18 38.09  ? 97  LEU   B N   1 
ATOM   1403 C CA  A LEU   B 2 88  ? -17.035 -1.933  -25.071 0.22 37.27  ? 97  LEU   B CA  1 
ATOM   1404 C CA  B LEU   B 2 88  ? -17.035 -1.933  -25.071 0.23 37.27  ? 97  LEU   B CA  1 
ATOM   1405 C CA  C LEU   B 2 88  ? -16.990 -1.872  -24.982 0.18 37.33  ? 97  LEU   B CA  1 
ATOM   1406 C CA  D LEU   B 2 88  ? -16.990 -1.872  -24.982 0.18 37.33  ? 97  LEU   B CA  1 
ATOM   1407 C CA  E LEU   B 2 88  ? -16.990 -1.872  -24.982 0.18 37.33  ? 97  LEU   B CA  1 
ATOM   1408 C C   A LEU   B 2 88  ? -17.981 -0.883  -25.681 0.22 37.46  ? 97  LEU   B C   1 
ATOM   1409 C C   B LEU   B 2 88  ? -17.981 -0.883  -25.681 0.23 37.46  ? 97  LEU   B C   1 
ATOM   1410 C C   C LEU   B 2 88  ? -17.877 -0.759  -25.572 0.18 37.46  ? 97  LEU   B C   1 
ATOM   1411 C C   D LEU   B 2 88  ? -17.877 -0.759  -25.571 0.18 37.46  ? 97  LEU   B C   1 
ATOM   1412 C C   E LEU   B 2 88  ? -17.877 -0.759  -25.572 0.18 37.46  ? 97  LEU   B C   1 
ATOM   1413 O O   A LEU   B 2 88  ? -17.763 -0.494  -26.850 0.22 38.05  ? 97  LEU   B O   1 
ATOM   1414 O O   B LEU   B 2 88  ? -17.765 -0.495  -26.849 0.23 38.04  ? 97  LEU   B O   1 
ATOM   1415 O O   C LEU   B 2 88  ? -17.491 -0.159  -26.616 0.18 38.04  ? 97  LEU   B O   1 
ATOM   1416 O O   D LEU   B 2 88  ? -17.489 -0.157  -26.614 0.18 38.04  ? 97  LEU   B O   1 
ATOM   1417 O O   E LEU   B 2 88  ? -17.491 -0.159  -26.616 0.18 38.04  ? 97  LEU   B O   1 
ATOM   1418 C CB  A LEU   B 2 88  ? -15.610 -1.385  -24.933 0.22 37.27  ? 97  LEU   B CB  1 
ATOM   1419 C CB  B LEU   B 2 88  ? -15.610 -1.386  -24.932 0.23 37.26  ? 97  LEU   B CB  1 
ATOM   1420 C CB  C LEU   B 2 88  ? -15.544 -1.386  -24.806 0.18 37.31  ? 97  LEU   B CB  1 
ATOM   1421 C CB  D LEU   B 2 88  ? -15.544 -1.387  -24.805 0.18 37.31  ? 97  LEU   B CB  1 
ATOM   1422 C CB  E LEU   B 2 88  ? -15.544 -1.386  -24.806 0.18 37.31  ? 97  LEU   B CB  1 
ATOM   1423 C CG  A LEU   B 2 88  ? -15.474 -0.124  -24.081 0.22 36.62  ? 97  LEU   B CG  1 
ATOM   1424 C CG  B LEU   B 2 88  ? -15.474 -0.124  -24.080 0.23 36.62  ? 97  LEU   B CG  1 
ATOM   1425 C CG  C LEU   B 2 88  ? -15.387 0.014   -24.204 0.18 36.83  ? 97  LEU   B CG  1 
ATOM   1426 C CG  D LEU   B 2 88  ? -15.388 0.013   -24.205 0.18 36.83  ? 97  LEU   B CG  1 
ATOM   1427 C CG  E LEU   B 2 88  ? -15.387 0.014   -24.204 0.18 36.83  ? 97  LEU   B CG  1 
ATOM   1428 C CD1 A LEU   B 2 88  ? -15.617 -0.447  -22.598 0.22 35.83  ? 97  LEU   B CD1 1 
ATOM   1429 C CD1 B LEU   B 2 88  ? -15.618 -0.447  -22.597 0.23 35.83  ? 97  LEU   B CD1 1 
ATOM   1430 C CD1 C LEU   B 2 88  ? -15.940 0.077   -22.785 0.18 35.98  ? 97  LEU   B CD1 1 
ATOM   1431 C CD1 D LEU   B 2 88  ? -15.942 0.078   -22.785 0.18 35.98  ? 97  LEU   B CD1 1 
ATOM   1432 C CD1 E LEU   B 2 88  ? -15.940 0.077   -22.785 0.18 35.98  ? 97  LEU   B CD1 1 
ATOM   1433 C CD2 A LEU   B 2 88  ? -14.153 0.579   -24.340 0.22 37.04  ? 97  LEU   B CD2 1 
ATOM   1434 C CD2 B LEU   B 2 88  ? -14.152 0.578   -24.337 0.23 37.03  ? 97  LEU   B CD2 1 
ATOM   1435 C CD2 C LEU   B 2 88  ? -13.933 0.461   -24.232 0.18 37.15  ? 97  LEU   B CD2 1 
ATOM   1436 C CD2 D LEU   B 2 88  ? -13.935 0.462   -24.232 0.18 37.15  ? 97  LEU   B CD2 1 
ATOM   1437 C CD2 E LEU   B 2 88  ? -13.933 0.461   -24.232 0.18 37.15  ? 97  LEU   B CD2 1 
ATOM   1438 N N   . LEU   B 2 89  ? -19.029 -0.491  -24.943 1.00 36.90  ? 98  LEU   B N   1 
ATOM   1439 C CA  . LEU   B 2 89  ? -19.885 0.642   -25.355 1.00 37.27  ? 98  LEU   B CA  1 
ATOM   1440 C C   . LEU   B 2 89  ? -19.185 1.823   -24.622 1.00 37.18  ? 98  LEU   B C   1 
ATOM   1441 O O   . LEU   B 2 89  ? -19.614 2.266   -23.408 1.00 37.00  ? 98  LEU   B O   1 
ATOM   1442 C CB  . LEU   B 2 89  ? -21.334 0.395   -24.935 1.00 37.22  ? 98  LEU   B CB  1 
ATOM   1443 C CG  . LEU   B 2 89  ? -22.327 1.526   -25.263 1.00 37.34  ? 98  LEU   B CG  1 
ATOM   1444 C CD1 . LEU   B 2 89  ? -22.093 2.173   -26.631 1.00 38.67  ? 98  LEU   B CD1 1 
ATOM   1445 C CD2 . LEU   B 2 89  ? -23.741 0.981   -25.196 1.00 37.80  ? 98  LEU   B CD2 1 
ATOM   1446 N N   . ALA   B 2 90  ? -18.087 2.251   -25.228 1.00 38.11  ? 99  ALA   B N   1 
ATOM   1447 C CA  . ALA   B 2 90  ? -17.261 3.386   -24.832 1.00 37.99  ? 99  ALA   B CA  1 
ATOM   1448 C C   . ALA   B 2 90  ? -18.104 4.702   -25.086 1.00 38.28  ? 99  ALA   B C   1 
ATOM   1449 O O   . ALA   B 2 90  ? -18.593 5.014   -26.346 1.00 40.01  ? 99  ALA   B O   1 
ATOM   1450 C CB  . ALA   B 2 90  ? -15.973 3.521   -25.630 1.00 38.84  ? 99  ALA   B CB  1 
ATOM   1451 N N   . VAL   B 2 91  ? -18.214 5.529   -24.026 1.00 37.56  ? 100 VAL   B N   1 
ATOM   1452 C CA  . VAL   B 2 91  ? -18.841 6.869   -24.067 1.00 37.37  ? 100 VAL   B CA  1 
ATOM   1453 C C   . VAL   B 2 91  ? -17.760 7.878   -23.676 1.00 37.84  ? 100 VAL   B C   1 
ATOM   1454 O O   . VAL   B 2 91  ? -17.648 8.280   -22.507 1.00 36.45  ? 100 VAL   B O   1 
ATOM   1455 C CB  . VAL   B 2 91  ? -20.055 6.913   -23.117 1.00 36.46  ? 100 VAL   B CB  1 
ATOM   1456 C CG1 . VAL   B 2 91  ? -20.821 8.223   -23.266 1.00 36.94  ? 100 VAL   B CG1 1 
ATOM   1457 C CG2 . VAL   B 2 91  ? -21.014 5.734   -23.315 1.00 36.18  ? 100 VAL   B CG2 1 
ATOM   1458 N N   . PRO   B 2 92  ? -16.897 8.311   -24.617 1.00 38.64  ? 101 PRO   B N   1 
ATOM   1459 C CA  . PRO   B 2 92  ? -15.814 9.246   -24.299 1.00 39.23  ? 101 PRO   B CA  1 
ATOM   1460 C C   . PRO   B 2 92  ? -16.338 10.730  -24.225 1.00 39.97  ? 101 PRO   B C   1 
ATOM   1461 O O   . PRO   B 2 92  ? -17.305 11.103  -24.877 1.00 40.92  ? 101 PRO   B O   1 
ATOM   1462 C CB  . PRO   B 2 92  ? -14.846 9.172   -25.496 1.00 40.17  ? 101 PRO   B CB  1 
ATOM   1463 C CG  . PRO   B 2 92  ? -15.353 8.006   -26.341 1.00 40.24  ? 101 PRO   B CG  1 
ATOM   1464 C CD  . PRO   B 2 92  ? -16.820 7.847   -26.021 1.00 39.59  ? 101 PRO   B CD  1 
ATOM   1465 N N   . PRO   B 2 93  ? -15.504 11.547  -23.405 1.00 40.46  ? 102 PRO   B N   1 
ATOM   1466 C CA  . PRO   B 2 93  ? -15.865 12.927  -23.043 1.00 40.77  ? 102 PRO   B CA  1 
ATOM   1467 C C   . PRO   B 2 93  ? -16.042 13.740  -24.341 1.00 41.92  ? 102 PRO   B C   1 
ATOM   1468 O O   . PRO   B 2 93  ? -15.178 13.663  -25.170 1.00 42.36  ? 102 PRO   B O   1 
ATOM   1469 C CB  . PRO   B 2 93  ? -14.678 13.407  -22.196 1.00 41.03  ? 102 PRO   B CB  1 
ATOM   1470 C CG  . PRO   B 2 93  ? -14.174 12.116  -21.548 1.00 40.39  ? 102 PRO   B CG  1 
ATOM   1471 C CD  . PRO   B 2 93  ? -14.213 11.157  -22.723 1.00 40.82  ? 102 PRO   B CD  1 
ATOM   1472 N N   . GLY   B 2 94  ? -17.207 14.365  -24.492 1.00 42.32  ? 103 GLY   B N   1 
ATOM   1473 C CA  . GLY   B 2 94  ? -17.576 15.199  -25.647 1.00 43.31  ? 103 GLY   B CA  1 
ATOM   1474 C C   . GLY   B 2 94  ? -17.818 14.423  -26.936 1.00 44.47  ? 103 GLY   B C   1 
ATOM   1475 O O   . GLY   B 2 94  ? -17.990 15.098  -27.986 1.00 45.42  ? 103 GLY   B O   1 
ATOM   1476 N N   . GLU   B 2 95  ? -17.844 13.093  -26.935 1.00 44.44  ? 104 GLU   B N   1 
ATOM   1477 C CA  . GLU   B 2 95  ? -17.910 12.292  -28.194 1.00 45.84  ? 104 GLU   B CA  1 
ATOM   1478 C C   . GLU   B 2 95  ? -19.065 11.303  -28.068 1.00 46.20  ? 104 GLU   B C   1 
ATOM   1479 O O   . GLU   B 2 95  ? -19.510 11.000  -26.823 1.00 45.13  ? 104 GLU   B O   1 
ATOM   1480 C CB  . GLU   B 2 95  ? -16.588 11.558  -28.460 1.00 46.49  ? 104 GLU   B CB  1 
ATOM   1481 C CG  . GLU   B 2 95  ? -15.354 12.463  -28.392 1.00 47.66  ? 104 GLU   B CG  1 
ATOM   1482 C CD  . GLU   B 2 95  ? -14.013 11.753  -28.531 1.00 48.91  ? 104 GLU   B CD  1 
ATOM   1483 O OE1 . GLU   B 2 95  ? -13.982 10.510  -28.457 1.00 49.11  ? 104 GLU   B OE1 1 
ATOM   1484 O OE2 . GLU   B 2 95  ? -13.025 12.452  -28.808 1.00 49.98  ? 104 GLU   B OE2 1 
ATOM   1485 N N   . ARG   B 2 96  ? -19.610 10.856  -29.222 1.00 46.87  ? 105 ARG   B N   1 
ATOM   1486 C CA  . ARG   B 2 96  ? -20.827 10.007  -29.191 1.00 48.50  ? 105 ARG   B CA  1 
ATOM   1487 C C   . ARG   B 2 96  ? -20.443 8.617   -28.677 1.00 46.90  ? 105 ARG   B C   1 
ATOM   1488 O O   . ARG   B 2 96  ? -19.238 8.154   -28.808 1.00 46.66  ? 105 ARG   B O   1 
ATOM   1489 C CB  . ARG   B 2 96  ? -21.501 9.890   -30.560 1.00 52.66  ? 105 ARG   B CB  1 
ATOM   1490 C CG  . ARG   B 2 96  ? -22.743 9.006   -30.558 1.00 55.18  ? 105 ARG   B CG  1 
ATOM   1491 C CD  . ARG   B 2 96  ? -23.709 9.243   -31.719 1.00 59.98  ? 105 ARG   B CD  1 
ATOM   1492 N NE  . ARG   B 2 96  ? -23.122 9.106   -33.046 1.00 63.40  ? 105 ARG   B NE  1 
ATOM   1493 C CZ  . ARG   B 2 96  ? -22.667 10.121  -33.769 1.00 67.30  ? 105 ARG   B CZ  1 
ATOM   1494 N NH1 . ARG   B 2 96  ? -22.754 11.352  -33.289 1.00 68.60  ? 105 ARG   B NH1 1 
ATOM   1495 N NH2 . ARG   B 2 96  ? -22.151 9.913   -34.973 1.00 70.55  ? 105 ARG   B NH2 1 
ATOM   1496 N N   . ALA   B 2 97  ? -21.468 7.975   -27.974 1.00 45.62  ? 106 ALA   B N   1 
ATOM   1497 C CA  . ALA   B 2 97  ? -21.339 6.530   -27.627 1.00 44.83  ? 106 ALA   B CA  1 
ATOM   1498 C C   . ALA   B 2 97  ? -20.886 5.746   -28.871 1.00 45.84  ? 106 ALA   B C   1 
ATOM   1499 O O   . ALA   B 2 97  ? -21.425 5.992   -29.972 1.00 45.02  ? 106 ALA   B O   1 
ATOM   1500 C CB  . ALA   B 2 97  ? -22.654 6.001   -27.068 1.00 45.00  ? 106 ALA   B CB  1 
ATOM   1501 N N   . LYS   B 2 98  ? -19.921 4.838   -28.711 1.00 45.55  ? 107 LYS   B N   1 
ATOM   1502 C CA  . LYS   B 2 98  ? -19.392 4.009   -29.837 1.00 48.03  ? 107 LYS   B CA  1 
ATOM   1503 C C   . LYS   B 2 98  ? -19.096 2.562   -29.332 1.00 48.16  ? 107 LYS   B C   1 
ATOM   1504 O O   . LYS   B 2 98  ? -18.478 2.407   -28.336 1.00 48.00  ? 107 LYS   B O   1 
ATOM   1505 C CB  . LYS   B 2 98  ? -18.096 4.628   -30.344 1.00 49.52  ? 107 LYS   B CB  1 
ATOM   1506 C CG  . LYS   B 2 98  ? -17.549 4.015   -31.635 1.00 52.18  ? 107 LYS   B CG  1 
ATOM   1507 C CD  . LYS   B 2 98  ? -16.144 4.501   -31.964 1.00 54.66  ? 107 LYS   B CD  1 
ATOM   1508 C CE  . LYS   B 2 98  ? -15.447 5.099   -30.751 1.00 55.62  ? 107 LYS   B CE  1 
ATOM   1509 N NZ  . LYS   B 2 98  ? -13.976 5.129   -30.909 1.00 57.92  ? 107 LYS   B NZ  1 
ATOM   1510 N N   . ASN   B 2 99  ? -19.562 1.576   -30.156 1.00 47.31  ? 108 ASN   B N   1 
ATOM   1511 C CA  . ASN   B 2 99  ? -19.251 0.144   -29.956 1.00 47.29  ? 108 ASN   B CA  1 
ATOM   1512 C C   . ASN   B 2 99  ? -17.868 -0.188  -30.518 1.00 47.23  ? 108 ASN   B C   1 
ATOM   1513 O O   . ASN   B 2 99  ? -17.656 -0.028  -31.845 1.00 47.57  ? 108 ASN   B O   1 
ATOM   1514 C CB  . ASN   B 2 99  ? -20.303 -0.821  -30.477 1.00 47.32  ? 108 ASN   B CB  1 
ATOM   1515 C CG  . ASN   B 2 99  ? -21.651 -0.631  -29.933 1.00 47.45  ? 108 ASN   B CG  1 
ATOM   1516 O OD1 . ASN   B 2 99  ? -22.194 0.480   -30.073 1.00 48.45  ? 108 ASN   B OD1 1 
ATOM   1517 N ND2 . ASN   B 2 99  ? -22.202 -1.674  -29.167 1.00 46.75  ? 108 ASN   B ND2 1 
ATOM   1518 N N   . ILE   B 2 100 ? -16.984 -0.706  -29.638 1.00 45.65  ? 109 ILE   B N   1 
ATOM   1519 C CA  . ILE   B 2 100 ? -15.693 -1.275  -30.041 1.00 45.54  ? 109 ILE   B CA  1 
ATOM   1520 C C   . ILE   B 2 100 ? -15.665 -2.764  -29.652 1.00 44.88  ? 109 ILE   B C   1 
ATOM   1521 O O   . ILE   B 2 100 ? -15.833 -3.087  -28.392 1.00 43.11  ? 109 ILE   B O   1 
ATOM   1522 C CB  . ILE   B 2 100 ? -14.485 -0.540  -29.455 1.00 45.80  ? 109 ILE   B CB  1 
ATOM   1523 C CG1 . ILE   B 2 100 ? -14.659 0.980   -29.521 1.00 46.36  ? 109 ILE   B CG1 1 
ATOM   1524 C CG2 . ILE   B 2 100 ? -13.199 -0.997  -30.099 1.00 46.67  ? 109 ILE   B CG2 1 
ATOM   1525 C CD1 . ILE   B 2 100 ? -14.508 1.553   -30.902 1.00 47.66  ? 109 ILE   B CD1 1 
ATOM   1526 N N   . GLN   B 2 101 ? -15.531 -3.630  -30.681 1.00 45.42  ? 110 GLN   B N   1 
ATOM   1527 C CA  . GLN   B 2 101 ? -15.528 -5.091  -30.460 1.00 45.88  ? 110 GLN   B CA  1 
ATOM   1528 C C   . GLN   B 2 101 ? -14.037 -5.575  -30.319 1.00 46.08  ? 110 GLN   B C   1 
ATOM   1529 O O   . GLN   B 2 101 ? -13.102 -5.008  -30.754 1.00 46.90  ? 110 GLN   B O   1 
ATOM   1530 C CB  . GLN   B 2 101 ? -16.239 -5.817  -31.590 1.00 47.35  ? 110 GLN   B CB  1 
ATOM   1531 C CG  . GLN   B 2 101 ? -16.242 -7.326  -31.398 1.00 47.48  ? 110 GLN   B CG  1 
ATOM   1532 C CD  . GLN   B 2 101 ? -17.283 -7.940  -32.296 1.00 48.31  ? 110 GLN   B CD  1 
ATOM   1533 O OE1 . GLN   B 2 101 ? -18.370 -7.397  -32.452 1.00 49.06  ? 110 GLN   B OE1 1 
ATOM   1534 N NE2 . GLN   B 2 101 ? -16.856 -9.083  -32.973 1.00 48.70  ? 110 GLN   B NE2 1 
ATOM   1535 N N   . THR   B 2 102 ? -13.862 -6.460  -29.256 1.00 44.96  ? 111 THR   B N   1 
ATOM   1536 C CA  . THR   B 2 102 ? -12.528 -6.969  -28.872 1.00 44.80  ? 111 THR   B CA  1 
ATOM   1537 C C   . THR   B 2 102 ? -12.728 -8.397  -28.153 1.00 44.42  ? 111 THR   B C   1 
ATOM   1538 O O   . THR   B 2 102 ? -13.870 -8.844  -27.621 1.00 45.13  ? 111 THR   B O   1 
ATOM   1539 C CB  . THR   B 2 102 ? -11.791 -5.944  -27.993 1.00 43.76  ? 111 THR   B CB  1 
ATOM   1540 O OG1 . THR   B 2 102 ? -10.313 -6.172  -27.768 1.00 44.48  ? 111 THR   B OG1 1 
ATOM   1541 C CG2 . THR   B 2 102 ? -12.252 -5.949  -26.538 1.00 42.74  ? 111 THR   B CG2 1 
ATOM   1542 N N   . LEU   B 2 103 ? -11.546 -9.137  -28.300 1.00 44.32  ? 112 LEU   B N   1 
ATOM   1543 C CA  . LEU   B 2 103 ? -11.406 -10.405 -27.555 1.00 43.78  ? 112 LEU   B CA  1 
ATOM   1544 C C   . LEU   B 2 103 ? -10.647 -10.075 -26.266 1.00 42.49  ? 112 LEU   B C   1 
ATOM   1545 O O   . LEU   B 2 103 ? -9.436  -9.634  -26.263 1.00 42.96  ? 112 LEU   B O   1 
ATOM   1546 C CB  . LEU   B 2 103 ? -10.626 -11.487 -28.325 1.00 44.48  ? 112 LEU   B CB  1 
ATOM   1547 C CG  . LEU   B 2 103 ? -10.504 -12.824 -27.551 1.00 44.93  ? 112 LEU   B CG  1 
ATOM   1548 C CD1 . LEU   B 2 103 ? -11.872 -13.496 -27.509 1.00 45.00  ? 112 LEU   B CD1 1 
ATOM   1549 C CD2 . LEU   B 2 103 ? -9.449  -13.770 -28.133 1.00 46.31  ? 112 LEU   B CD2 1 
ATOM   1550 N N   A PRO   B 2 104 ? -11.317 -10.215 -25.090 0.22 41.68  ? 113 PRO   B N   1 
ATOM   1551 N N   B PRO   B 2 104 ? -11.317 -10.215 -25.089 0.23 41.68  ? 113 PRO   B N   1 
ATOM   1552 N N   C PRO   B 2 104 ? -11.326 -10.178 -25.093 0.18 41.69  ? 113 PRO   B N   1 
ATOM   1553 N N   D PRO   B 2 104 ? -11.326 -10.178 -25.093 0.18 41.69  ? 113 PRO   B N   1 
ATOM   1554 N N   E PRO   B 2 104 ? -11.326 -10.178 -25.093 0.18 41.69  ? 113 PRO   B N   1 
ATOM   1555 C CA  A PRO   B 2 104 ? -10.617 -10.060 -23.824 0.22 41.01  ? 113 PRO   B CA  1 
ATOM   1556 C CA  B PRO   B 2 104 ? -10.617 -10.060 -23.823 0.23 41.00  ? 113 PRO   B CA  1 
ATOM   1557 C CA  C PRO   B 2 104 ? -10.660 -9.870  -23.835 0.18 40.97  ? 113 PRO   B CA  1 
ATOM   1558 C CA  D PRO   B 2 104 ? -10.660 -9.870  -23.835 0.18 40.97  ? 113 PRO   B CA  1 
ATOM   1559 C CA  E PRO   B 2 104 ? -10.660 -9.870  -23.835 0.18 40.97  ? 113 PRO   B CA  1 
ATOM   1560 C C   A PRO   B 2 104 ? -9.447  -11.044 -23.688 0.22 41.60  ? 113 PRO   B C   1 
ATOM   1561 C C   B PRO   B 2 104 ? -9.448  -11.044 -23.687 0.23 41.59  ? 113 PRO   B C   1 
ATOM   1562 C C   C PRO   B 2 104 ? -9.403  -10.723 -23.611 0.18 41.48  ? 113 PRO   B C   1 
ATOM   1563 C C   D PRO   B 2 104 ? -9.403  -10.723 -23.611 0.18 41.48  ? 113 PRO   B C   1 
ATOM   1564 C C   E PRO   B 2 104 ? -9.403  -10.723 -23.611 0.18 41.48  ? 113 PRO   B C   1 
ATOM   1565 O O   A PRO   B 2 104 ? -9.558  -12.166 -24.167 0.22 42.16  ? 113 PRO   B O   1 
ATOM   1566 O O   B PRO   B 2 104 ? -9.559  -12.167 -24.165 0.23 42.16  ? 113 PRO   B O   1 
ATOM   1567 O O   C PRO   B 2 104 ? -9.398  -11.882 -24.003 0.18 42.09  ? 113 PRO   B O   1 
ATOM   1568 O O   D PRO   B 2 104 ? -9.398  -11.882 -24.005 0.18 42.09  ? 113 PRO   B O   1 
ATOM   1569 O O   E PRO   B 2 104 ? -9.398  -11.882 -24.003 0.18 42.09  ? 113 PRO   B O   1 
ATOM   1570 C CB  A PRO   B 2 104 ? -11.680 -10.389 -22.763 0.22 40.32  ? 113 PRO   B CB  1 
ATOM   1571 C CB  B PRO   B 2 104 ? -11.680 -10.388 -22.762 0.23 40.32  ? 113 PRO   B CB  1 
ATOM   1572 C CB  C PRO   B 2 104 ? -11.718 -10.198 -22.768 0.18 40.26  ? 113 PRO   B CB  1 
ATOM   1573 C CB  D PRO   B 2 104 ? -11.718 -10.198 -22.768 0.18 40.26  ? 113 PRO   B CB  1 
ATOM   1574 C CB  E PRO   B 2 104 ? -11.718 -10.198 -22.768 0.18 40.26  ? 113 PRO   B CB  1 
ATOM   1575 C CG  A PRO   B 2 104 ? -13.002 -10.148 -23.460 0.22 40.37  ? 113 PRO   B CG  1 
ATOM   1576 C CG  B PRO   B 2 104 ? -13.002 -10.147 -23.460 0.23 40.37  ? 113 PRO   B CG  1 
ATOM   1577 C CG  C PRO   B 2 104 ? -13.041 -10.114 -23.501 0.18 40.39  ? 113 PRO   B CG  1 
ATOM   1578 C CG  D PRO   B 2 104 ? -13.041 -10.114 -23.501 0.18 40.39  ? 113 PRO   B CG  1 
ATOM   1579 C CG  E PRO   B 2 104 ? -13.041 -10.114 -23.501 0.18 40.39  ? 113 PRO   B CG  1 
ATOM   1580 C CD  A PRO   B 2 104 ? -12.749 -10.505 -24.915 0.22 41.30  ? 113 PRO   B CD  1 
ATOM   1581 C CD  B PRO   B 2 104 ? -12.748 -10.506 -24.913 0.23 41.30  ? 113 PRO   B CD  1 
ATOM   1582 C CD  C PRO   B 2 104 ? -12.735 -10.562 -24.918 0.18 41.35  ? 113 PRO   B CD  1 
ATOM   1583 C CD  D PRO   B 2 104 ? -12.735 -10.562 -24.918 0.18 41.35  ? 113 PRO   B CD  1 
ATOM   1584 C CD  E PRO   B 2 104 ? -12.735 -10.562 -24.918 0.18 41.35  ? 113 PRO   B CD  1 
ATOM   1585 N N   A GLY   B 2 105 ? -8.364  -10.594 -23.053 0.22 41.47  ? 114 GLY   B N   1 
ATOM   1586 N N   B GLY   B 2 105 ? -8.364  -10.594 -23.053 0.23 41.47  ? 114 GLY   B N   1 
ATOM   1587 N N   C GLY   B 2 105 ? -8.370  -10.114 -23.025 0.18 41.31  ? 114 GLY   B N   1 
ATOM   1588 N N   D GLY   B 2 105 ? -8.370  -10.115 -23.024 0.18 41.31  ? 114 GLY   B N   1 
ATOM   1589 N N   E GLY   B 2 105 ? -8.370  -10.114 -23.025 0.18 41.31  ? 114 GLY   B N   1 
ATOM   1590 C CA  A GLY   B 2 105 ? -7.357  -11.477 -22.436 0.22 41.75  ? 114 GLY   B CA  1 
ATOM   1591 C CA  B GLY   B 2 105 ? -7.358  -11.477 -22.435 0.23 41.74  ? 114 GLY   B CA  1 
ATOM   1592 C CA  C GLY   B 2 105 ? -7.290  -10.827 -22.317 0.18 41.50  ? 114 GLY   B CA  1 
ATOM   1593 C CA  D GLY   B 2 105 ? -7.291  -10.827 -22.317 0.18 41.50  ? 114 GLY   B CA  1 
ATOM   1594 C CA  E GLY   B 2 105 ? -7.290  -10.827 -22.317 0.18 41.50  ? 114 GLY   B CA  1 
ATOM   1595 C C   A GLY   B 2 105 ? -7.803  -11.828 -21.014 0.22 41.21  ? 114 GLY   B C   1 
ATOM   1596 C C   B GLY   B 2 105 ? -7.806  -11.824 -21.012 0.23 41.21  ? 114 GLY   B C   1 
ATOM   1597 C C   C GLY   B 2 105 ? -7.765  -11.206 -20.905 0.18 40.89  ? 114 GLY   B C   1 
ATOM   1598 C C   D GLY   B 2 105 ? -7.765  -11.205 -20.904 0.18 40.89  ? 114 GLY   B C   1 
ATOM   1599 C C   E GLY   B 2 105 ? -7.765  -11.206 -20.905 0.18 40.89  ? 114 GLY   B C   1 
ATOM   1600 O O   A GLY   B 2 105 ? -9.084  -11.773 -20.733 0.22 40.40  ? 114 GLY   B O   1 
ATOM   1601 O O   B GLY   B 2 105 ? -9.087  -11.760 -20.729 0.23 40.39  ? 114 GLY   B O   1 
ATOM   1602 O O   C GLY   B 2 105 ? -8.980  -10.961 -20.565 0.18 40.26  ? 114 GLY   B O   1 
ATOM   1603 O O   D GLY   B 2 105 ? -8.980  -10.959 -20.564 0.18 40.26  ? 114 GLY   B O   1 
ATOM   1604 O O   E GLY   B 2 105 ? -8.980  -10.961 -20.565 0.18 40.26  ? 114 GLY   B O   1 
ATOM   1605 N N   A ILE   B 2 106 ? -6.794  -12.069 -20.136 0.22 41.42  ? 115 ILE   B N   1 
ATOM   1606 N N   B ILE   B 2 106 ? -6.794  -12.068 -20.135 0.23 41.42  ? 115 ILE   B N   1 
ATOM   1607 N N   C ILE   B 2 106 ? -6.835  -11.789 -20.116 0.18 41.17  ? 115 ILE   B N   1 
ATOM   1608 N N   D ILE   B 2 106 ? -6.835  -11.789 -20.116 0.18 41.17  ? 115 ILE   B N   1 
ATOM   1609 N N   E ILE   B 2 106 ? -6.835  -11.789 -20.116 0.18 41.17  ? 115 ILE   B N   1 
ATOM   1610 C CA  A ILE   B 2 106 ? -7.025  -12.523 -18.735 0.22 41.11  ? 115 ILE   B CA  1 
ATOM   1611 C CA  B ILE   B 2 106 ? -7.025  -12.523 -18.734 0.23 41.11  ? 115 ILE   B CA  1 
ATOM   1612 C CA  C ILE   B 2 106 ? -7.152  -12.404 -18.795 0.18 40.86  ? 115 ILE   B CA  1 
ATOM   1613 C CA  D ILE   B 2 106 ? -7.152  -12.404 -18.794 0.18 40.86  ? 115 ILE   B CA  1 
ATOM   1614 C CA  E ILE   B 2 106 ? -7.152  -12.404 -18.795 0.18 40.86  ? 115 ILE   B CA  1 
ATOM   1615 C C   A ILE   B 2 106 ? -6.159  -11.699 -17.780 0.22 40.81  ? 115 ILE   B C   1 
ATOM   1616 C C   B ILE   B 2 106 ? -6.159  -11.699 -17.780 0.23 40.81  ? 115 ILE   B C   1 
ATOM   1617 C C   C ILE   B 2 106 ? -6.185  -11.858 -17.735 0.18 40.70  ? 115 ILE   B C   1 
ATOM   1618 C C   D ILE   B 2 106 ? -6.186  -11.858 -17.735 0.18 40.70  ? 115 ILE   B C   1 
ATOM   1619 C C   E ILE   B 2 106 ? -6.185  -11.858 -17.735 0.18 40.70  ? 115 ILE   B C   1 
ATOM   1620 O O   A ILE   B 2 106 ? -4.991  -11.413 -18.114 0.22 41.23  ? 115 ILE   B O   1 
ATOM   1621 O O   B ILE   B 2 106 ? -4.991  -11.413 -18.113 0.23 41.23  ? 115 ILE   B O   1 
ATOM   1622 O O   C ILE   B 2 106 ? -4.958  -11.938 -17.943 0.18 41.17  ? 115 ILE   B O   1 
ATOM   1623 O O   D ILE   B 2 106 ? -4.958  -11.938 -17.943 0.18 41.17  ? 115 ILE   B O   1 
ATOM   1624 O O   E ILE   B 2 106 ? -4.958  -11.938 -17.943 0.18 41.17  ? 115 ILE   B O   1 
ATOM   1625 C CB  A ILE   B 2 106 ? -6.713  -14.022 -18.563 0.22 41.78  ? 115 ILE   B CB  1 
ATOM   1626 C CB  B ILE   B 2 106 ? -6.712  -14.022 -18.564 0.23 41.79  ? 115 ILE   B CB  1 
ATOM   1627 C CB  C ILE   B 2 106 ? -7.105  -13.943 -18.895 0.18 41.46  ? 115 ILE   B CB  1 
ATOM   1628 C CB  D ILE   B 2 106 ? -7.105  -13.943 -18.895 0.18 41.46  ? 115 ILE   B CB  1 
ATOM   1629 C CB  E ILE   B 2 106 ? -7.105  -13.943 -18.895 0.18 41.46  ? 115 ILE   B CB  1 
ATOM   1630 C CG1 A ILE   B 2 106 ? -7.386  -14.896 -19.623 0.22 42.49  ? 115 ILE   B CG1 1 
ATOM   1631 C CG1 B ILE   B 2 106 ? -7.385  -14.895 -19.624 0.23 42.49  ? 115 ILE   B CG1 1 
ATOM   1632 C CG1 C ILE   B 2 106 ? -8.386  -14.508 -19.516 0.18 41.66  ? 115 ILE   B CG1 1 
ATOM   1633 C CG1 D ILE   B 2 106 ? -8.387  -14.508 -19.516 0.18 41.66  ? 115 ILE   B CG1 1 
ATOM   1634 C CG1 E ILE   B 2 106 ? -8.386  -14.508 -19.516 0.18 41.66  ? 115 ILE   B CG1 1 
ATOM   1635 C CG2 A ILE   B 2 106 ? -7.081  -14.468 -17.152 0.22 41.29  ? 115 ILE   B CG2 1 
ATOM   1636 C CG2 B ILE   B 2 106 ? -7.080  -14.468 -17.153 0.23 41.30  ? 115 ILE   B CG2 1 
ATOM   1637 C CG2 C ILE   B 2 106 ? -6.820  -14.562 -17.533 0.18 41.20  ? 115 ILE   B CG2 1 
ATOM   1638 C CG2 D ILE   B 2 106 ? -6.820  -14.562 -17.533 0.18 41.20  ? 115 ILE   B CG2 1 
ATOM   1639 C CG2 E ILE   B 2 106 ? -6.820  -14.562 -17.533 0.18 41.20  ? 115 ILE   B CG2 1 
ATOM   1640 C CD1 A ILE   B 2 106 ? -8.891  -14.925 -19.528 0.22 42.12  ? 115 ILE   B CD1 1 
ATOM   1641 C CD1 B ILE   B 2 106 ? -8.890  -14.924 -19.528 0.23 42.12  ? 115 ILE   B CD1 1 
ATOM   1642 C CD1 C ILE   B 2 106 ? -8.346  -16.003 -19.788 0.18 42.48  ? 115 ILE   B CD1 1 
ATOM   1643 C CD1 D ILE   B 2 106 ? -8.346  -16.003 -19.788 0.18 42.48  ? 115 ILE   B CD1 1 
ATOM   1644 C CD1 E ILE   B 2 106 ? -8.346  -16.003 -19.788 0.18 42.48  ? 115 ILE   B CD1 1 
ATOM   1645 N N   . PHE   B 2 107 ? -6.739  -11.345 -16.632 1.00 39.97  ? 116 PHE   B N   1 
ATOM   1646 C CA  . PHE   B 2 107 ? -5.997  -10.986 -15.412 1.00 40.60  ? 116 PHE   B CA  1 
ATOM   1647 C C   . PHE   B 2 107 ? -6.051  -12.311 -14.575 1.00 42.22  ? 116 PHE   B C   1 
ATOM   1648 O O   . PHE   B 2 107 ? -7.185  -12.809 -14.002 1.00 43.88  ? 116 PHE   B O   1 
ATOM   1649 C CB  . PHE   B 2 107 ? -6.783  -9.921  -14.675 1.00 39.69  ? 116 PHE   B CB  1 
ATOM   1650 C CG  . PHE   B 2 107 ? -6.542  -8.482  -15.035 1.00 39.59  ? 116 PHE   B CG  1 
ATOM   1651 C CD1 . PHE   B 2 107 ? -5.766  -8.106  -16.126 1.00 40.34  ? 116 PHE   B CD1 1 
ATOM   1652 C CD2 . PHE   B 2 107 ? -7.085  -7.487  -14.226 1.00 38.86  ? 116 PHE   B CD2 1 
ATOM   1653 C CE1 . PHE   B 2 107 ? -5.588  -6.762  -16.426 1.00 40.49  ? 116 PHE   B CE1 1 
ATOM   1654 C CE2 . PHE   B 2 107 ? -6.883  -6.146  -14.518 1.00 38.86  ? 116 PHE   B CE2 1 
ATOM   1655 C CZ  . PHE   B 2 107 ? -6.145  -5.787  -15.623 1.00 39.61  ? 116 PHE   B CZ  1 
ATOM   1656 N N   . LYS   B 2 108 ? -4.692  -12.871 -14.396 1.00 43.85  ? 117 LYS   B N   1 
ATOM   1657 C CA  . LYS   B 2 108 ? -4.532  -14.014 -13.452 1.00 46.04  ? 117 LYS   B CA  1 
ATOM   1658 C C   . LYS   B 2 108 ? -4.221  -13.398 -12.045 1.00 45.11  ? 117 LYS   B C   1 
ATOM   1659 O O   . LYS   B 2 108 ? -3.198  -12.498 -12.011 1.00 46.04  ? 117 LYS   B O   1 
ATOM   1660 C CB  . LYS   B 2 108 ? -3.497  -15.012 -14.008 1.00 48.73  ? 117 LYS   B CB  1 
ATOM   1661 C CG  . LYS   B 2 108 ? -3.862  -15.580 -15.387 1.00 52.25  ? 117 LYS   B CG  1 
ATOM   1662 C CD  . LYS   B 2 108 ? -2.928  -16.574 -16.098 1.00 55.17  ? 117 LYS   B CD  1 
ATOM   1663 C CE  . LYS   B 2 108 ? -3.459  -16.958 -17.479 1.00 58.17  ? 117 LYS   B CE  1 
ATOM   1664 N NZ  . LYS   B 2 108 ? -2.502  -17.683 -18.383 1.00 60.34  ? 117 LYS   B NZ  1 
ATOM   1665 N N   . THR   B 2 109 ? -5.097  -13.735 -11.056 1.00 45.15  ? 118 THR   B N   1 
ATOM   1666 C CA  . THR   B 2 109 ? -4.898  -13.297 -9.649  1.00 45.45  ? 118 THR   B CA  1 
ATOM   1667 C C   . THR   B 2 109 ? -4.919  -14.516 -8.730  1.00 46.30  ? 118 THR   B C   1 
ATOM   1668 O O   . THR   B 2 109 ? -5.331  -15.618 -9.165  1.00 46.43  ? 118 THR   B O   1 
ATOM   1669 C CB  . THR   B 2 109 ? -5.965  -12.320 -9.118  1.00 44.39  ? 118 THR   B CB  1 
ATOM   1670 O OG1 . THR   B 2 109 ? -7.167  -13.049 -8.788  1.00 43.84  ? 118 THR   B OG1 1 
ATOM   1671 C CG2 . THR   B 2 109 ? -6.376  -11.293 -10.159 1.00 44.23  ? 118 THR   B CG2 1 
ATOM   1672 N N   . LYS   B 2 110 ? -4.491  -14.299 -7.491  1.00 47.93  ? 119 LYS   B N   1 
ATOM   1673 C CA  . LYS   B 2 110 ? -4.408  -15.398 -6.495  1.00 49.04  ? 119 LYS   B CA  1 
ATOM   1674 C C   . LYS   B 2 110 ? -5.831  -15.898 -6.155  1.00 49.66  ? 119 LYS   B C   1 
ATOM   1675 O O   . LYS   B 2 110 ? -5.931  -17.138 -5.754  1.00 53.00  ? 119 LYS   B O   1 
ATOM   1676 C CB  . LYS   B 2 110 ? -3.627  -14.953 -5.252  1.00 49.50  ? 119 LYS   B CB  1 
ATOM   1677 C CG  . LYS   B 2 110 ? -4.198  -13.759 -4.515  1.00 49.84  ? 119 LYS   B CG  1 
ATOM   1678 C CD  . LYS   B 2 110 ? -3.375  -13.381 -3.288  1.00 51.82  ? 119 LYS   B CD  1 
ATOM   1679 C CE  . LYS   B 2 110 ? -4.241  -13.226 -2.066  1.00 53.29  ? 119 LYS   B CE  1 
ATOM   1680 N NZ  . LYS   B 2 110 ? -5.327  -12.263 -2.322  1.00 53.53  ? 119 LYS   B NZ  1 
ATOM   1681 N N   . ASP   B 2 111 ? -6.876  -15.028 -6.409  1.00 47.86  ? 120 ASP   B N   1 
ATOM   1682 C CA  . ASP   B 2 111 ? -8.287  -15.354 -6.058  1.00 48.32  ? 120 ASP   B CA  1 
ATOM   1683 C C   . ASP   B 2 111 ? -9.094  -15.743 -7.291  1.00 48.75  ? 120 ASP   B C   1 
ATOM   1684 O O   . ASP   B 2 111 ? -10.322 -15.883 -7.158  1.00 49.15  ? 120 ASP   B O   1 
ATOM   1685 C CB  . ASP   B 2 111 ? -8.968  -14.183 -5.348  1.00 48.29  ? 120 ASP   B CB  1 
ATOM   1686 C CG  . ASP   B 2 111 ? -8.253  -13.844 -4.058  1.00 49.33  ? 120 ASP   B CG  1 
ATOM   1687 O OD1 . ASP   B 2 111 ? -7.974  -14.787 -3.308  1.00 49.58  ? 120 ASP   B OD1 1 
ATOM   1688 O OD2 . ASP   B 2 111 ? -7.923  -12.665 -3.865  1.00 50.08  ? 120 ASP   B OD2 1 
ATOM   1689 N N   . GLY   B 2 112 ? -8.435  -15.866 -8.442  1.00 47.91  ? 121 GLY   B N   1 
ATOM   1690 C CA  . GLY   B 2 112 ? -9.077  -16.344 -9.674  1.00 48.58  ? 121 GLY   B CA  1 
ATOM   1691 C C   . GLY   B 2 112 ? -8.786  -15.454 -10.870 1.00 47.92  ? 121 GLY   B C   1 
ATOM   1692 O O   . GLY   B 2 112 ? -8.271  -14.338 -10.707 1.00 46.92  ? 121 GLY   B O   1 
ATOM   1693 N N   . ASP   B 2 113 ? -9.137  -15.967 -12.037 1.00 48.24  ? 122 ASP   B N   1 
ATOM   1694 C CA  . ASP   B 2 113 ? -8.935  -15.309 -13.363 1.00 48.86  ? 122 ASP   B CA  1 
ATOM   1695 C C   . ASP   B 2 113 ? -10.136 -14.318 -13.574 1.00 47.39  ? 122 ASP   B C   1 
ATOM   1696 O O   . ASP   B 2 113 ? -11.251 -14.519 -13.277 1.00 47.05  ? 122 ASP   B O   1 
ATOM   1697 C CB  . ASP   B 2 113 ? -8.811  -16.360 -14.461 1.00 51.44  ? 122 ASP   B CB  1 
ATOM   1698 C CG  . ASP   B 2 113 ? -7.444  -17.038 -14.537 1.00 53.03  ? 122 ASP   B CG  1 
ATOM   1699 O OD1 . ASP   B 2 113 ? -6.626  -16.787 -13.618 1.00 55.40  ? 122 ASP   B OD1 1 
ATOM   1700 O OD2 . ASP   B 2 113 ? -7.217  -17.813 -15.522 1.00 57.83  ? 122 ASP   B OD2 1 
ATOM   1701 N N   . ILE   B 2 114 ? -9.845  -13.260 -14.419 1.00 44.89  ? 123 ILE   B N   1 
ATOM   1702 C CA  . ILE   B 2 114 ? -10.817 -12.167 -14.697 1.00 43.49  ? 123 ILE   B CA  1 
ATOM   1703 C C   . ILE   B 2 114 ? -10.625 -11.729 -16.147 1.00 42.36  ? 123 ILE   B C   1 
ATOM   1704 O O   . ILE   B 2 114 ? -9.444  -11.485 -16.541 1.00 42.09  ? 123 ILE   B O   1 
ATOM   1705 C CB  . ILE   B 2 114 ? -10.637 -10.951 -13.754 1.00 42.90  ? 123 ILE   B CB  1 
ATOM   1706 C CG1 . ILE   B 2 114 ? -10.306 -11.329 -12.316 1.00 43.72  ? 123 ILE   B CG1 1 
ATOM   1707 C CG2 . ILE   B 2 114 ? -11.835 -10.034 -13.808 1.00 43.27  ? 123 ILE   B CG2 1 
ATOM   1708 C CD1 . ILE   B 2 114 ? -10.083 -10.102 -11.449 1.00 43.14  ? 123 ILE   B CD1 1 
ATOM   1709 N N   . GLY   B 2 115 ? -11.724 -11.575 -16.906 1.00 41.63  ? 124 GLY   B N   1 
ATOM   1710 C CA  . GLY   B 2 115 ? -11.581 -11.030 -18.280 1.00 39.93  ? 124 GLY   B CA  1 
ATOM   1711 C C   . GLY   B 2 115 ? -10.900 -9.660  -18.230 1.00 39.10  ? 124 GLY   B C   1 
ATOM   1712 O O   . GLY   B 2 115 ? -11.019 -8.930  -17.177 1.00 37.47  ? 124 GLY   B O   1 
ATOM   1713 N N   . ALA   B 2 116 ? -10.178 -9.270  -19.290 1.00 38.74  ? 125 ALA   B N   1 
ATOM   1714 C CA  . ALA   B 2 116 ? -9.564  -7.927  -19.369 1.00 38.73  ? 125 ALA   B CA  1 
ATOM   1715 C C   . ALA   B 2 116 ? -9.672  -7.411  -20.784 1.00 39.71  ? 125 ALA   B C   1 
ATOM   1716 O O   . ALA   B 2 116 ? -9.558  -8.217  -21.696 1.00 40.45  ? 125 ALA   B O   1 
ATOM   1717 C CB  . ALA   B 2 116 ? -8.108  -7.924  -19.012 1.00 39.16  ? 125 ALA   B CB  1 
ATOM   1718 N N   A VAL   B 2 117 ? -9.889  -6.105  -20.943 0.22 39.29  ? 126 VAL   B N   1 
ATOM   1719 N N   B VAL   B 2 117 ? -9.810  -6.089  -20.942 0.23 39.47  ? 126 VAL   B N   1 
ATOM   1720 N N   C VAL   B 2 117 ? -9.816  -6.089  -20.934 0.18 39.48  ? 126 VAL   B N   1 
ATOM   1721 N N   D VAL   B 2 117 ? -9.816  -6.089  -20.934 0.18 39.48  ? 126 VAL   B N   1 
ATOM   1722 N N   E VAL   B 2 117 ? -9.816  -6.089  -20.934 0.18 39.48  ? 126 VAL   B N   1 
ATOM   1723 C CA  A VAL   B 2 117 ? -9.889  -5.442  -22.280 0.22 39.99  ? 126 VAL   B CA  1 
ATOM   1724 C CA  B VAL   B 2 117 ? -10.023 -5.399  -22.253 0.23 40.19  ? 126 VAL   B CA  1 
ATOM   1725 C CA  C VAL   B 2 117 ? -10.044 -5.408  -22.244 0.18 40.20  ? 126 VAL   B CA  1 
ATOM   1726 C CA  D VAL   B 2 117 ? -10.044 -5.408  -22.244 0.18 40.20  ? 126 VAL   B CA  1 
ATOM   1727 C CA  E VAL   B 2 117 ? -10.044 -5.408  -22.244 0.18 40.20  ? 126 VAL   B CA  1 
ATOM   1728 C C   A VAL   B 2 117 ? -8.679  -4.508  -22.372 0.22 40.36  ? 126 VAL   B C   1 
ATOM   1729 C C   B VAL   B 2 117 ? -8.905  -4.361  -22.482 0.23 40.60  ? 126 VAL   B C   1 
ATOM   1730 C C   C VAL   B 2 117 ? -8.931  -4.384  -22.504 0.18 40.65  ? 126 VAL   B C   1 
ATOM   1731 C C   D VAL   B 2 117 ? -8.931  -4.384  -22.504 0.18 40.65  ? 126 VAL   B C   1 
ATOM   1732 C C   E VAL   B 2 117 ? -8.931  -4.384  -22.504 0.18 40.65  ? 126 VAL   B C   1 
ATOM   1733 O O   A VAL   B 2 117 ? -8.299  -3.900  -21.355 0.22 39.77  ? 126 VAL   B O   1 
ATOM   1734 O O   B VAL   B 2 117 ? -8.816  -3.418  -21.690 0.23 40.08  ? 126 VAL   B O   1 
ATOM   1735 O O   C VAL   B 2 117 ? -8.784  -3.441  -21.711 0.18 40.12  ? 126 VAL   B O   1 
ATOM   1736 O O   D VAL   B 2 117 ? -8.784  -3.441  -21.711 0.18 40.12  ? 126 VAL   B O   1 
ATOM   1737 O O   E VAL   B 2 117 ? -8.784  -3.441  -21.711 0.18 40.12  ? 126 VAL   B O   1 
ATOM   1738 C CB  A VAL   B 2 117 ? -11.221 -4.735  -22.585 0.22 39.59  ? 126 VAL   B CB  1 
ATOM   1739 C CB  B VAL   B 2 117 ? -11.437 -4.785  -22.282 0.23 39.78  ? 126 VAL   B CB  1 
ATOM   1740 C CB  C VAL   B 2 117 ? -11.451 -4.784  -22.276 0.18 39.78  ? 126 VAL   B CB  1 
ATOM   1741 C CB  D VAL   B 2 117 ? -11.451 -4.784  -22.276 0.18 39.78  ? 126 VAL   B CB  1 
ATOM   1742 C CB  E VAL   B 2 117 ? -11.451 -4.784  -22.276 0.18 39.78  ? 126 VAL   B CB  1 
ATOM   1743 C CG1 A VAL   B 2 117 ? -12.279 -5.741  -23.011 0.22 39.78  ? 126 VAL   B CG1 1 
ATOM   1744 C CG1 B VAL   B 2 117 ? -11.598 -3.718  -23.353 0.23 40.24  ? 126 VAL   B CG1 1 
ATOM   1745 C CG1 C VAL   B 2 117 ? -11.595 -3.715  -23.348 0.18 40.23  ? 126 VAL   B CG1 1 
ATOM   1746 C CG1 D VAL   B 2 117 ? -11.596 -3.715  -23.348 0.18 40.23  ? 126 VAL   B CG1 1 
ATOM   1747 C CG1 E VAL   B 2 117 ? -11.595 -3.715  -23.348 0.18 40.23  ? 126 VAL   B CG1 1 
ATOM   1748 C CG2 A VAL   B 2 117 ? -11.723 -3.882  -21.432 0.22 38.65  ? 126 VAL   B CG2 1 
ATOM   1749 C CG2 B VAL   B 2 117 ? -12.497 -5.868  -22.440 0.23 39.82  ? 126 VAL   B CG2 1 
ATOM   1750 C CG2 C VAL   B 2 117 ? -12.508 -5.865  -22.443 0.18 39.83  ? 126 VAL   B CG2 1 
ATOM   1751 C CG2 D VAL   B 2 117 ? -12.508 -5.865  -22.444 0.18 39.83  ? 126 VAL   B CG2 1 
ATOM   1752 C CG2 E VAL   B 2 117 ? -12.508 -5.865  -22.443 0.18 39.83  ? 126 VAL   B CG2 1 
ATOM   1753 N N   A ALA   B 2 118 ? -8.079  -4.437  -23.562 0.22 41.44  ? 127 ALA   B N   1 
ATOM   1754 N N   B ALA   B 2 118 ? -8.109  -4.492  -23.559 0.23 41.54  ? 127 ALA   B N   1 
ATOM   1755 N N   C ALA   B 2 118 ? -8.215  -4.556  -23.621 0.18 41.71  ? 127 ALA   B N   1 
ATOM   1756 N N   D ALA   B 2 118 ? -8.215  -4.556  -23.621 0.18 41.71  ? 127 ALA   B N   1 
ATOM   1757 N N   E ALA   B 2 118 ? -8.215  -4.556  -23.621 0.18 41.71  ? 127 ALA   B N   1 
ATOM   1758 C CA  A ALA   B 2 118 ? -6.787  -3.754  -23.798 0.22 42.26  ? 127 ALA   B CA  1 
ATOM   1759 C CA  B ALA   B 2 118 ? -6.822  -3.776  -23.782 0.23 42.29  ? 127 ALA   B CA  1 
ATOM   1760 C CA  C ALA   B 2 118 ? -7.140  -3.656  -24.100 0.18 42.54  ? 127 ALA   B CA  1 
ATOM   1761 C CA  D ALA   B 2 118 ? -7.141  -3.656  -24.100 0.18 42.54  ? 127 ALA   B CA  1 
ATOM   1762 C CA  E ALA   B 2 118 ? -7.140  -3.656  -24.100 0.18 42.54  ? 127 ALA   B CA  1 
ATOM   1763 C C   A ALA   B 2 118 ? -7.001  -2.533  -24.702 0.22 42.86  ? 127 ALA   B C   1 
ATOM   1764 C C   B ALA   B 2 118 ? -7.019  -2.549  -24.686 0.23 42.87  ? 127 ALA   B C   1 
ATOM   1765 C C   C ALA   B 2 118 ? -7.686  -2.770  -25.228 0.18 43.22  ? 127 ALA   B C   1 
ATOM   1766 C C   D ALA   B 2 118 ? -7.687  -2.770  -25.228 0.18 43.22  ? 127 ALA   B C   1 
ATOM   1767 C C   E ALA   B 2 118 ? -7.687  -2.770  -25.228 0.18 43.22  ? 127 ALA   B C   1 
ATOM   1768 O O   A ALA   B 2 118 ? -6.583  -2.575  -25.881 0.22 43.72  ? 127 ALA   B O   1 
ATOM   1769 O O   B ALA   B 2 118 ? -6.577  -2.588  -25.858 0.23 43.73  ? 127 ALA   B O   1 
ATOM   1770 O O   C ALA   B 2 118 ? -7.522  -3.139  -26.411 0.18 43.93  ? 127 ALA   B O   1 
ATOM   1771 O O   D ALA   B 2 118 ? -7.522  -3.139  -26.411 0.18 43.93  ? 127 ALA   B O   1 
ATOM   1772 O O   E ALA   B 2 118 ? -7.522  -3.139  -26.411 0.18 43.93  ? 127 ALA   B O   1 
ATOM   1773 C CB  A ALA   B 2 118 ? -5.799  -4.730  -24.396 0.22 43.08  ? 127 ALA   B CB  1 
ATOM   1774 C CB  B ALA   B 2 118 ? -5.805  -4.731  -24.366 0.23 43.09  ? 127 ALA   B CB  1 
ATOM   1775 C CB  C ALA   B 2 118 ? -5.947  -4.465  -24.557 0.18 43.34  ? 127 ALA   B CB  1 
ATOM   1776 C CB  D ALA   B 2 118 ? -5.948  -4.464  -24.557 0.18 43.34  ? 127 ALA   B CB  1 
ATOM   1777 C CB  E ALA   B 2 118 ? -5.947  -4.465  -24.557 0.18 43.34  ? 127 ALA   B CB  1 
ATOM   1778 N N   A LEU   B 2 119 ? -7.629  -1.483  -24.166 0.22 42.57  ? 128 LEU   B N   1 
ATOM   1779 N N   B LEU   B 2 119 ? -7.639  -1.491  -24.155 0.23 42.57  ? 128 LEU   B N   1 
ATOM   1780 N N   C LEU   B 2 119 ? -8.339  -1.664  -24.859 0.18 42.99  ? 128 LEU   B N   1 
ATOM   1781 N N   D LEU   B 2 119 ? -8.340  -1.664  -24.859 0.18 42.99  ? 128 LEU   B N   1 
ATOM   1782 N N   E LEU   B 2 119 ? -8.339  -1.664  -24.859 0.18 42.99  ? 128 LEU   B N   1 
ATOM   1783 C CA  A LEU   B 2 119 ? -8.031  -0.273  -24.927 0.22 43.10  ? 128 LEU   B CA  1 
ATOM   1784 C CA  B LEU   B 2 119 ? -8.034  -0.279  -24.921 0.23 43.10  ? 128 LEU   B CA  1 
ATOM   1785 C CA  C LEU   B 2 119 ? -8.810  -0.605  -25.789 0.18 43.57  ? 128 LEU   B CA  1 
ATOM   1786 C CA  D LEU   B 2 119 ? -8.811  -0.605  -25.789 0.18 43.57  ? 128 LEU   B CA  1 
ATOM   1787 C CA  E LEU   B 2 119 ? -8.810  -0.605  -25.789 0.18 43.57  ? 128 LEU   B CA  1 
ATOM   1788 C C   A LEU   B 2 119 ? -7.751  0.986   -24.097 0.22 43.09  ? 128 LEU   B C   1 
ATOM   1789 C C   B LEU   B 2 119 ? -7.754  0.983   -24.093 0.23 43.10  ? 128 LEU   B C   1 
ATOM   1790 C C   C LEU   B 2 119 ? -8.443  0.755   -25.187 0.18 43.65  ? 128 LEU   B C   1 
ATOM   1791 C C   D LEU   B 2 119 ? -8.443  0.755   -25.187 0.18 43.65  ? 128 LEU   B C   1 
ATOM   1792 C C   E LEU   B 2 119 ? -8.443  0.755   -25.187 0.18 43.65  ? 128 LEU   B C   1 
ATOM   1793 O O   A LEU   B 2 119 ? -8.078  0.990   -22.881 0.22 42.79  ? 128 LEU   B O   1 
ATOM   1794 O O   B LEU   B 2 119 ? -8.085  0.989   -22.878 0.23 42.81  ? 128 LEU   B O   1 
ATOM   1795 O O   C LEU   B 2 119 ? -8.867  1.023   -24.051 0.18 43.04  ? 128 LEU   B O   1 
ATOM   1796 O O   D LEU   B 2 119 ? -8.868  1.023   -24.051 0.18 43.04  ? 128 LEU   B O   1 
ATOM   1797 O O   E LEU   B 2 119 ? -8.867  1.023   -24.051 0.18 43.04  ? 128 LEU   B O   1 
ATOM   1798 C CB  A LEU   B 2 119 ? -9.515  -0.400  -25.283 0.22 42.71  ? 128 LEU   B CB  1 
ATOM   1799 C CB  B LEU   B 2 119 ? -9.517  -0.401  -25.283 0.23 42.71  ? 128 LEU   B CB  1 
ATOM   1800 C CB  C LEU   B 2 119 ? -10.322 -0.750  -25.995 0.18 43.20  ? 128 LEU   B CB  1 
ATOM   1801 C CB  D LEU   B 2 119 ? -10.323 -0.749  -25.996 0.18 43.20  ? 128 LEU   B CB  1 
ATOM   1802 C CB  E LEU   B 2 119 ? -10.322 -0.750  -25.995 0.18 43.20  ? 128 LEU   B CB  1 
ATOM   1803 C CG  A LEU   B 2 119 ? -9.892  -1.623  -26.120 0.22 43.10  ? 128 LEU   B CG  1 
ATOM   1804 C CG  B LEU   B 2 119 ? -9.894  -1.624  -26.120 0.23 43.10  ? 128 LEU   B CG  1 
ATOM   1805 C CG  C LEU   B 2 119 ? -10.788 -2.070  -26.612 0.18 43.46  ? 128 LEU   B CG  1 
ATOM   1806 C CG  D LEU   B 2 119 ? -10.789 -2.070  -26.612 0.18 43.46  ? 128 LEU   B CG  1 
ATOM   1807 C CG  E LEU   B 2 119 ? -10.788 -2.070  -26.612 0.18 43.46  ? 128 LEU   B CG  1 
ATOM   1808 C CD1 A LEU   B 2 119 ? -11.404 -1.784  -26.210 0.22 42.64  ? 128 LEU   B CD1 1 
ATOM   1809 C CD1 B LEU   B 2 119 ? -11.405 -1.783  -26.212 0.23 42.64  ? 128 LEU   B CD1 1 
ATOM   1810 C CD1 C LEU   B 2 119 ? -12.300 -2.207  -26.528 0.18 42.84  ? 128 LEU   B CD1 1 
ATOM   1811 C CD1 D LEU   B 2 119 ? -12.300 -2.207  -26.528 0.18 42.84  ? 128 LEU   B CD1 1 
ATOM   1812 C CD1 E LEU   B 2 119 ? -12.300 -2.207  -26.528 0.18 42.84  ? 128 LEU   B CD1 1 
ATOM   1813 C CD2 A LEU   B 2 119 ? -9.289  -1.531  -27.515 0.22 44.20  ? 128 LEU   B CD2 1 
ATOM   1814 C CD2 B LEU   B 2 119 ? -9.289  -1.532  -27.514 0.23 44.20  ? 128 LEU   B CD2 1 
ATOM   1815 C CD2 C LEU   B 2 119 ? -10.331 -2.196  -28.059 0.18 44.58  ? 128 LEU   B CD2 1 
ATOM   1816 C CD2 D LEU   B 2 119 ? -10.331 -2.196  -28.059 0.18 44.58  ? 128 LEU   B CD2 1 
ATOM   1817 C CD2 E LEU   B 2 119 ? -10.331 -2.196  -28.059 0.18 44.58  ? 128 LEU   B CD2 1 
ATOM   1818 N N   A ASP   B 2 120 ? -7.179  2.010   -24.746 0.22 44.15  ? 129 ASP   B N   1 
ATOM   1819 N N   B ASP   B 2 120 ? -7.181  2.006   -24.744 0.23 44.17  ? 129 ASP   B N   1 
ATOM   1820 N N   C ASP   B 2 120 ? -7.674  1.571   -25.914 0.18 44.65  ? 129 ASP   B N   1 
ATOM   1821 N N   D ASP   B 2 120 ? -7.673  1.570   -25.914 0.18 44.65  ? 129 ASP   B N   1 
ATOM   1822 N N   E ASP   B 2 120 ? -7.674  1.571   -25.914 0.18 44.65  ? 129 ASP   B N   1 
ATOM   1823 C CA  A ASP   B 2 120 ? -6.911  3.362   -24.181 0.22 44.02  ? 129 ASP   B CA  1 
ATOM   1824 C CA  B ASP   B 2 120 ? -6.913  3.359   -24.180 0.23 44.02  ? 129 ASP   B CA  1 
ATOM   1825 C CA  C ASP   B 2 120 ? -7.040  2.803   -25.372 0.18 44.85  ? 129 ASP   B CA  1 
ATOM   1826 C CA  D ASP   B 2 120 ? -7.038  2.801   -25.370 0.18 44.85  ? 129 ASP   B CA  1 
ATOM   1827 C CA  E ASP   B 2 120 ? -7.040  2.803   -25.372 0.18 44.85  ? 129 ASP   B CA  1 
ATOM   1828 C C   A ASP   B 2 120 ? -8.098  4.290   -24.467 0.22 43.71  ? 129 ASP   B C   1 
ATOM   1829 C C   B ASP   B 2 120 ? -8.099  4.289   -24.465 0.23 43.71  ? 129 ASP   B C   1 
ATOM   1830 C C   C ASP   B 2 120 ? -8.047  3.957   -25.390 0.18 44.50  ? 129 ASP   B C   1 
ATOM   1831 C C   D ASP   B 2 120 ? -8.045  3.957   -25.390 0.18 44.50  ? 129 ASP   B C   1 
ATOM   1832 C C   E ASP   B 2 120 ? -8.047  3.957   -25.390 0.18 44.50  ? 129 ASP   B C   1 
ATOM   1833 O O   A ASP   B 2 120 ? -8.533  4.357   -25.627 0.22 44.52  ? 129 ASP   B O   1 
ATOM   1834 O O   B ASP   B 2 120 ? -8.535  4.357   -25.625 0.23 44.53  ? 129 ASP   B O   1 
ATOM   1835 O O   C ASP   B 2 120 ? -8.007  4.783   -26.330 0.18 45.37  ? 129 ASP   B O   1 
ATOM   1836 O O   D ASP   B 2 120 ? -8.005  4.781   -26.331 0.18 45.37  ? 129 ASP   B O   1 
ATOM   1837 O O   E ASP   B 2 120 ? -8.007  4.783   -26.330 0.18 45.37  ? 129 ASP   B O   1 
ATOM   1838 C CB  A ASP   B 2 120 ? -5.648  3.990   -24.791 0.22 45.14  ? 129 ASP   B CB  1 
ATOM   1839 C CB  B ASP   B 2 120 ? -5.651  3.986   -24.791 0.23 45.14  ? 129 ASP   B CB  1 
ATOM   1840 C CB  C ASP   B 2 120 ? -5.729  3.107   -26.098 0.18 46.17  ? 129 ASP   B CB  1 
ATOM   1841 C CB  D ASP   B 2 120 ? -5.725  3.103   -26.093 0.18 46.17  ? 129 ASP   B CB  1 
ATOM   1842 C CB  E ASP   B 2 120 ? -5.729  3.107   -26.098 0.18 46.17  ? 129 ASP   B CB  1 
ATOM   1843 C CG  A ASP   B 2 120 ? -4.398  3.937   -23.921 0.22 45.23  ? 129 ASP   B CG  1 
ATOM   1844 C CG  B ASP   B 2 120 ? -4.400  3.939   -23.921 0.23 45.24  ? 129 ASP   B CG  1 
ATOM   1845 C CG  C ASP   B 2 120 ? -4.638  2.106   -25.758 0.18 46.53  ? 129 ASP   B CG  1 
ATOM   1846 C CG  D ASP   B 2 120 ? -4.630  2.103   -25.754 0.18 46.53  ? 129 ASP   B CG  1 
ATOM   1847 C CG  E ASP   B 2 120 ? -4.638  2.106   -25.758 0.18 46.53  ? 129 ASP   B CG  1 
ATOM   1848 O OD1 A ASP   B 2 120 ? -4.525  3.683   -22.699 0.22 44.16  ? 129 ASP   B OD1 1 
ATOM   1849 O OD1 B ASP   B 2 120 ? -4.525  3.682   -22.700 0.23 44.15  ? 129 ASP   B OD1 1 
ATOM   1850 O OD1 C ASP   B 2 120 ? -4.666  1.565   -24.625 0.18 46.15  ? 129 ASP   B OD1 1 
ATOM   1851 O OD1 D ASP   B 2 120 ? -4.647  1.565   -24.619 0.18 46.15  ? 129 ASP   B OD1 1 
ATOM   1852 O OD1 E ASP   B 2 120 ? -4.666  1.565   -24.625 0.18 46.15  ? 129 ASP   B OD1 1 
ATOM   1853 O OD2 A ASP   B 2 120 ? -3.298  4.167   -24.476 0.22 46.18  ? 129 ASP   B OD2 1 
ATOM   1854 O OD2 B ASP   B 2 120 ? -3.300  4.175   -24.476 0.23 46.19  ? 129 ASP   B OD2 1 
ATOM   1855 O OD2 C ASP   B 2 120 ? -3.780  1.858   -26.625 0.18 47.97  ? 129 ASP   B OD2 1 
ATOM   1856 O OD2 D ASP   B 2 120 ? -3.778  1.855   -26.626 0.18 47.97  ? 129 ASP   B OD2 1 
ATOM   1857 O OD2 E ASP   B 2 120 ? -3.780  1.858   -26.625 0.18 47.97  ? 129 ASP   B OD2 1 
ATOM   1858 N N   A TYR   B 2 121 ? -8.591  4.992   -23.441 0.22 42.69  ? 130 TYR   B N   1 
ATOM   1859 N N   B TYR   B 2 121 ? -8.592  4.991   -23.440 0.23 42.68  ? 130 TYR   B N   1 
ATOM   1860 N N   C TYR   B 2 121 ? -8.923  4.001   -24.382 0.18 43.38  ? 130 TYR   B N   1 
ATOM   1861 N N   D TYR   B 2 121 ? -8.922  4.001   -24.382 0.18 43.38  ? 130 TYR   B N   1 
ATOM   1862 N N   E TYR   B 2 121 ? -8.923  4.001   -24.382 0.18 43.38  ? 130 TYR   B N   1 
ATOM   1863 C CA  A TYR   B 2 121 ? -9.516  6.149   -23.570 0.22 42.49  ? 130 TYR   B CA  1 
ATOM   1864 C CA  B TYR   B 2 121 ? -9.516  6.148   -23.569 0.23 42.49  ? 130 TYR   B CA  1 
ATOM   1865 C CA  C TYR   B 2 121 ? -9.844  5.132   -24.101 0.18 42.77  ? 130 TYR   B CA  1 
ATOM   1866 C CA  D TYR   B 2 121 ? -9.843  5.133   -24.101 0.18 42.78  ? 130 TYR   B CA  1 
ATOM   1867 C CA  E TYR   B 2 121 ? -9.844  5.132   -24.101 0.18 42.77  ? 130 TYR   B CA  1 
ATOM   1868 C C   A TYR   B 2 121 ? -9.305  7.083   -22.384 0.22 41.57  ? 130 TYR   B C   1 
ATOM   1869 C C   B TYR   B 2 121 ? -9.306  7.082   -22.383 0.23 41.57  ? 130 TYR   B C   1 
ATOM   1870 C C   C TYR   B 2 121 ? -9.365  5.899   -22.874 0.18 42.00  ? 130 TYR   B C   1 
ATOM   1871 C C   D TYR   B 2 121 ? -9.365  5.900   -22.874 0.18 42.00  ? 130 TYR   B C   1 
ATOM   1872 C C   E TYR   B 2 121 ? -9.365  5.899   -22.874 0.18 42.00  ? 130 TYR   B C   1 
ATOM   1873 O O   A TYR   B 2 121 ? -8.753  6.666   -21.364 0.22 40.88  ? 130 TYR   B O   1 
ATOM   1874 O O   B TYR   B 2 121 ? -8.755  6.665   -21.363 0.23 40.87  ? 130 TYR   B O   1 
ATOM   1875 O O   C TYR   B 2 121 ? -8.781  5.317   -21.958 0.18 41.76  ? 130 TYR   B O   1 
ATOM   1876 O O   D TYR   B 2 121 ? -8.782  5.317   -21.958 0.18 41.76  ? 130 TYR   B O   1 
ATOM   1877 O O   E TYR   B 2 121 ? -8.781  5.317   -21.958 0.18 41.76  ? 130 TYR   B O   1 
ATOM   1878 C CB  A TYR   B 2 121 ? -10.972 5.687   -23.675 0.22 42.31  ? 130 TYR   B CB  1 
ATOM   1879 C CB  B TYR   B 2 121 ? -10.973 5.687   -23.674 0.23 42.32  ? 130 TYR   B CB  1 
ATOM   1880 C CB  C TYR   B 2 121 ? -11.280 4.647   -23.896 0.18 42.32  ? 130 TYR   B CB  1 
ATOM   1881 C CB  D TYR   B 2 121 ? -11.280 4.648   -23.897 0.18 42.32  ? 130 TYR   B CB  1 
ATOM   1882 C CB  E TYR   B 2 121 ? -11.280 4.647   -23.896 0.18 42.32  ? 130 TYR   B CB  1 
ATOM   1883 C CG  A TYR   B 2 121 ? -11.313 5.074   -25.009 0.22 43.24  ? 130 TYR   B CG  1 
ATOM   1884 C CG  B TYR   B 2 121 ? -11.313 5.074   -25.009 0.23 43.24  ? 130 TYR   B CG  1 
ATOM   1885 C CG  C TYR   B 2 121 ? -12.009 4.350   -25.179 0.18 42.96  ? 130 TYR   B CG  1 
ATOM   1886 C CG  D TYR   B 2 121 ? -12.009 4.351   -25.178 0.18 42.96  ? 130 TYR   B CG  1 
ATOM   1887 C CG  E TYR   B 2 121 ? -12.009 4.350   -25.179 0.18 42.96  ? 130 TYR   B CG  1 
ATOM   1888 C CD1 A TYR   B 2 121 ? -11.585 5.868   -26.112 0.22 44.04  ? 130 TYR   B CD1 1 
ATOM   1889 C CD1 B TYR   B 2 121 ? -11.585 5.868   -26.112 0.23 44.05  ? 130 TYR   B CD1 1 
ATOM   1890 C CD1 C TYR   B 2 121 ? -12.482 5.377   -25.979 0.18 43.43  ? 130 TYR   B CD1 1 
ATOM   1891 C CD1 D TYR   B 2 121 ? -12.482 5.377   -25.979 0.18 43.43  ? 130 TYR   B CD1 1 
ATOM   1892 C CD1 E TYR   B 2 121 ? -12.482 5.377   -25.979 0.18 43.43  ? 130 TYR   B CD1 1 
ATOM   1893 C CD2 A TYR   B 2 121 ? -11.321 3.698   -25.183 0.22 43.42  ? 130 TYR   B CD2 1 
ATOM   1894 C CD2 B TYR   B 2 121 ? -11.322 3.699   -25.183 0.23 43.42  ? 130 TYR   B CD2 1 
ATOM   1895 C CD2 C TYR   B 2 121 ? -12.197 3.047   -25.609 0.18 43.15  ? 130 TYR   B CD2 1 
ATOM   1896 C CD2 D TYR   B 2 121 ? -12.197 3.048   -25.609 0.18 43.15  ? 130 TYR   B CD2 1 
ATOM   1897 C CD2 E TYR   B 2 121 ? -12.197 3.047   -25.609 0.18 43.15  ? 130 TYR   B CD2 1 
ATOM   1898 C CE1 A TYR   B 2 121 ? -11.877 5.314   -27.349 0.22 44.89  ? 130 TYR   B CE1 1 
ATOM   1899 C CE1 B TYR   B 2 121 ? -11.876 5.314   -27.349 0.23 44.90  ? 130 TYR   B CE1 1 
ATOM   1900 C CE1 C TYR   B 2 121 ? -13.146 5.118   -27.163 0.18 44.08  ? 130 TYR   B CE1 1 
ATOM   1901 C CE1 D TYR   B 2 121 ? -13.146 5.118   -27.163 0.18 44.08  ? 130 TYR   B CE1 1 
ATOM   1902 C CE1 E TYR   B 2 121 ? -13.146 5.118   -27.163 0.18 44.08  ? 130 TYR   B CE1 1 
ATOM   1903 C CE2 A TYR   B 2 121 ? -11.606 3.129   -26.415 0.22 44.08  ? 130 TYR   B CE2 1 
ATOM   1904 C CE2 B TYR   B 2 121 ? -11.606 3.130   -26.415 0.23 44.08  ? 130 TYR   B CE2 1 
ATOM   1905 C CE2 C TYR   B 2 121 ? -12.855 2.771   -26.795 0.18 43.69  ? 130 TYR   B CE2 1 
ATOM   1906 C CE2 D TYR   B 2 121 ? -12.855 2.771   -26.795 0.18 43.69  ? 130 TYR   B CE2 1 
ATOM   1907 C CE2 E TYR   B 2 121 ? -12.855 2.771   -26.795 0.18 43.69  ? 130 TYR   B CE2 1 
ATOM   1908 C CZ  A TYR   B 2 121 ? -11.891 3.940   -27.499 0.22 44.83  ? 130 TYR   B CZ  1 
ATOM   1909 C CZ  B TYR   B 2 121 ? -11.890 3.940   -27.499 0.23 44.84  ? 130 TYR   B CZ  1 
ATOM   1910 C CZ  C TYR   B 2 121 ? -13.326 3.810   -27.574 0.18 44.18  ? 130 TYR   B CZ  1 
ATOM   1911 C CZ  D TYR   B 2 121 ? -13.326 3.811   -27.574 0.18 44.19  ? 130 TYR   B CZ  1 
ATOM   1912 C CZ  E TYR   B 2 121 ? -13.326 3.810   -27.574 0.18 44.19  ? 130 TYR   B CZ  1 
ATOM   1913 O OH  A TYR   B 2 121 ? -12.184 3.385   -28.709 0.22 45.62  ? 130 TYR   B OH  1 
ATOM   1914 O OH  B TYR   B 2 121 ? -12.183 3.386   -28.709 0.23 45.63  ? 130 TYR   B OH  1 
ATOM   1915 O OH  C TYR   B 2 121 ? -13.977 3.559   -28.741 0.18 44.87  ? 130 TYR   B OH  1 
ATOM   1916 O OH  D TYR   B 2 121 ? -13.977 3.559   -28.741 0.18 44.87  ? 130 TYR   B OH  1 
ATOM   1917 O OH  E TYR   B 2 121 ? -13.977 3.559   -28.741 0.18 44.87  ? 130 TYR   B OH  1 
ATOM   1918 N N   A PRO   B 2 122 ? -9.703  8.372   -22.483 0.22 41.20  ? 131 PRO   B N   1 
ATOM   1919 N N   B PRO   B 2 122 ? -9.703  8.371   -22.482 0.23 41.20  ? 131 PRO   B N   1 
ATOM   1920 N N   C PRO   B 2 122 ? -9.635  7.224   -22.803 0.18 41.48  ? 131 PRO   B N   1 
ATOM   1921 N N   D PRO   B 2 122 ? -9.635  7.224   -22.803 0.18 41.48  ? 131 PRO   B N   1 
ATOM   1922 N N   E PRO   B 2 122 ? -9.635  7.224   -22.803 0.18 41.48  ? 131 PRO   B N   1 
ATOM   1923 C CA  A PRO   B 2 122 ? -9.617  9.280   -21.339 0.22 40.55  ? 131 PRO   B CA  1 
ATOM   1924 C CA  B PRO   B 2 122 ? -9.618  9.279   -21.338 0.23 40.55  ? 131 PRO   B CA  1 
ATOM   1925 C CA  C PRO   B 2 122 ? -9.209  8.032   -21.661 0.18 40.83  ? 131 PRO   B CA  1 
ATOM   1926 C CA  D PRO   B 2 122 ? -9.209  8.032   -21.661 0.18 40.83  ? 131 PRO   B CA  1 
ATOM   1927 C CA  E PRO   B 2 122 ? -9.208  8.032   -21.661 0.18 40.83  ? 131 PRO   B CA  1 
ATOM   1928 C C   A PRO   B 2 122 ? -10.302 8.690   -20.091 0.22 38.99  ? 131 PRO   B C   1 
ATOM   1929 C C   B PRO   B 2 122 ? -10.301 8.688   -20.090 0.23 38.99  ? 131 PRO   B C   1 
ATOM   1930 C C   C PRO   B 2 122 ? -9.951  7.641   -20.371 0.18 39.34  ? 131 PRO   B C   1 
ATOM   1931 C C   D PRO   B 2 122 ? -9.951  7.641   -20.371 0.18 39.34  ? 131 PRO   B C   1 
ATOM   1932 C C   E PRO   B 2 122 ? -9.951  7.641   -20.371 0.18 39.34  ? 131 PRO   B C   1 
ATOM   1933 O O   A PRO   B 2 122 ? -11.196 7.874   -20.225 0.22 38.22  ? 131 PRO   B O   1 
ATOM   1934 O O   B PRO   B 2 122 ? -11.196 7.872   -20.222 0.23 38.21  ? 131 PRO   B O   1 
ATOM   1935 O O   C PRO   B 2 122 ? -11.001 7.014   -20.458 0.18 38.61  ? 131 PRO   B O   1 
ATOM   1936 O O   D PRO   B 2 122 ? -11.002 7.014   -20.458 0.18 38.61  ? 131 PRO   B O   1 
ATOM   1937 O O   E PRO   B 2 122 ? -11.001 7.014   -20.458 0.18 38.61  ? 131 PRO   B O   1 
ATOM   1938 C CB  A PRO   B 2 122 ? -10.306 10.560  -21.844 0.22 41.08  ? 131 PRO   B CB  1 
ATOM   1939 C CB  B PRO   B 2 122 ? -10.306 10.559  -21.844 0.23 41.08  ? 131 PRO   B CB  1 
ATOM   1940 C CB  C PRO   B 2 122 ? -9.533  9.469   -22.102 0.18 41.45  ? 131 PRO   B CB  1 
ATOM   1941 C CB  D PRO   B 2 122 ? -9.533  9.469   -22.102 0.18 41.45  ? 131 PRO   B CB  1 
ATOM   1942 C CB  E PRO   B 2 122 ? -9.533  9.469   -22.102 0.18 41.45  ? 131 PRO   B CB  1 
ATOM   1943 C CG  A PRO   B 2 122 ? -10.134 10.509  -23.351 0.22 42.02  ? 131 PRO   B CG  1 
ATOM   1944 C CG  B PRO   B 2 122 ? -10.134 10.509  -23.351 0.23 42.02  ? 131 PRO   B CG  1 
ATOM   1945 C CG  C PRO   B 2 122 ? -10.665 9.310   -23.100 0.18 41.56  ? 131 PRO   B CG  1 
ATOM   1946 C CG  D PRO   B 2 122 ? -10.666 9.311   -23.100 0.18 41.56  ? 131 PRO   B CG  1 
ATOM   1947 C CG  E PRO   B 2 122 ? -10.665 9.310   -23.100 0.18 41.56  ? 131 PRO   B CG  1 
ATOM   1948 C CD  A PRO   B 2 122 ? -10.206 9.036   -23.699 0.22 41.80  ? 131 PRO   B CD  1 
ATOM   1949 C CD  B PRO   B 2 122 ? -10.206 9.036   -23.699 0.23 41.80  ? 131 PRO   B CD  1 
ATOM   1950 C CD  C PRO   B 2 122 ? -10.370 8.007   -23.811 0.18 41.86  ? 131 PRO   B CD  1 
ATOM   1951 C CD  D PRO   B 2 122 ? -10.370 8.007   -23.811 0.18 41.86  ? 131 PRO   B CD  1 
ATOM   1952 C CD  E PRO   B 2 122 ? -10.370 8.007   -23.811 0.18 41.86  ? 131 PRO   B CD  1 
ATOM   1953 N N   A ALA   B 2 123 ? -9.844  9.103   -18.908 0.22 38.29  ? 132 ALA   B N   1 
ATOM   1954 N N   B ALA   B 2 123 ? -9.843  9.102   -18.908 0.23 38.29  ? 132 ALA   B N   1 
ATOM   1955 N N   C ALA   B 2 123 ? -9.389  8.015   -19.215 0.18 38.63  ? 132 ALA   B N   1 
ATOM   1956 N N   D ALA   B 2 123 ? -9.389  8.016   -19.215 0.18 38.63  ? 132 ALA   B N   1 
ATOM   1957 N N   E ALA   B 2 123 ? -9.389  8.015   -19.215 0.18 38.63  ? 132 ALA   B N   1 
ATOM   1958 C CA  A ALA   B 2 123 ? -10.290 8.603   -17.586 0.22 37.11  ? 132 ALA   B CA  1 
ATOM   1959 C CA  B ALA   B 2 123 ? -10.290 8.601   -17.585 0.23 37.11  ? 132 ALA   B CA  1 
ATOM   1960 C CA  C ALA   B 2 123 ? -9.939  7.727   -17.866 0.18 37.49  ? 132 ALA   B CA  1 
ATOM   1961 C CA  D ALA   B 2 123 ? -9.939  7.728   -17.866 0.18 37.49  ? 132 ALA   B CA  1 
ATOM   1962 C CA  E ALA   B 2 123 ? -9.939  7.727   -17.866 0.18 37.49  ? 132 ALA   B CA  1 
ATOM   1963 C C   A ALA   B 2 123 ? -11.784 8.890   -17.357 0.22 36.25  ? 132 ALA   B C   1 
ATOM   1964 C C   B ALA   B 2 123 ? -11.784 8.890   -17.357 0.23 36.25  ? 132 ALA   B C   1 
ATOM   1965 C C   C ALA   B 2 123 ? -11.404 8.169   -17.797 0.18 36.70  ? 132 ALA   B C   1 
ATOM   1966 C C   D ALA   B 2 123 ? -11.404 8.169   -17.797 0.18 36.70  ? 132 ALA   B C   1 
ATOM   1967 C C   E ALA   B 2 123 ? -11.404 8.169   -17.797 0.18 36.70  ? 132 ALA   B C   1 
ATOM   1968 O O   A ALA   B 2 123 ? -12.433 8.140   -16.556 0.22 35.43  ? 132 ALA   B O   1 
ATOM   1969 O O   B ALA   B 2 123 ? -12.433 8.140   -16.553 0.23 35.43  ? 132 ALA   B O   1 
ATOM   1970 O O   C ALA   B 2 123 ? -12.198 7.503   -17.093 0.18 35.87  ? 132 ALA   B O   1 
ATOM   1971 O O   D ALA   B 2 123 ? -12.198 7.501   -17.093 0.18 35.87  ? 132 ALA   B O   1 
ATOM   1972 O O   E ALA   B 2 123 ? -12.198 7.503   -17.093 0.18 35.87  ? 132 ALA   B O   1 
ATOM   1973 C CB  A ALA   B 2 123 ? -9.431  9.214   -16.508 0.22 37.21  ? 132 ALA   B CB  1 
ATOM   1974 C CB  B ALA   B 2 123 ? -9.429  9.213   -16.509 0.23 37.21  ? 132 ALA   B CB  1 
ATOM   1975 C CB  C ALA   B 2 123 ? -9.117  8.412   -16.803 0.18 37.52  ? 132 ALA   B CB  1 
ATOM   1976 C CB  D ALA   B 2 123 ? -9.117  8.412   -16.803 0.18 37.52  ? 132 ALA   B CB  1 
ATOM   1977 C CB  E ALA   B 2 123 ? -9.117  8.412   -16.803 0.18 37.52  ? 132 ALA   B CB  1 
ATOM   1978 N N   A GLY   B 2 124 ? -12.333 9.905   -18.037 0.22 36.20  ? 133 GLY   B N   1 
ATOM   1979 N N   B GLY   B 2 124 ? -12.332 9.904   -18.038 0.23 36.19  ? 133 GLY   B N   1 
ATOM   1980 N N   C GLY   B 2 124 ? -11.735 9.247   -18.514 0.18 36.82  ? 133 GLY   B N   1 
ATOM   1981 N N   D GLY   B 2 124 ? -11.736 9.248   -18.513 0.18 36.82  ? 133 GLY   B N   1 
ATOM   1982 N N   E GLY   B 2 124 ? -11.735 9.247   -18.514 0.18 36.82  ? 133 GLY   B N   1 
ATOM   1983 C CA  A GLY   B 2 124 ? -13.757 10.293  -17.942 0.22 35.51  ? 133 GLY   B CA  1 
ATOM   1984 C CA  B GLY   B 2 124 ? -13.756 10.291  -17.942 0.23 35.50  ? 133 GLY   B CA  1 
ATOM   1985 C CA  C GLY   B 2 124 ? -13.097 9.786   -18.708 0.18 36.39  ? 133 GLY   B CA  1 
ATOM   1986 C CA  D GLY   B 2 124 ? -13.098 9.786   -18.707 0.18 36.39  ? 133 GLY   B CA  1 
ATOM   1987 C CA  E GLY   B 2 124 ? -13.097 9.786   -18.708 0.18 36.39  ? 133 GLY   B CA  1 
ATOM   1988 C C   A GLY   B 2 124 ? -14.726 9.264   -18.660 0.22 34.98  ? 133 GLY   B C   1 
ATOM   1989 C C   B GLY   B 2 124 ? -14.725 9.261   -18.654 0.23 34.97  ? 133 GLY   B C   1 
ATOM   1990 C C   C GLY   B 2 124 ? -14.218 8.679   -18.928 0.18 35.59  ? 133 GLY   B C   1 
ATOM   1991 C C   D GLY   B 2 124 ? -14.218 8.679   -18.925 0.18 35.59  ? 133 GLY   B C   1 
ATOM   1992 C C   E GLY   B 2 124 ? -14.218 8.679   -18.928 0.18 35.59  ? 133 GLY   B C   1 
ATOM   1993 O O   A GLY   B 2 124 ? -16.025 9.324   -18.304 0.22 34.58  ? 133 GLY   B O   1 
ATOM   1994 O O   B GLY   B 2 124 ? -16.022 9.317   -18.299 0.23 34.58  ? 133 GLY   B O   1 
ATOM   1995 O O   C GLY   B 2 124 ? -15.418 8.760   -18.596 0.18 35.19  ? 133 GLY   B O   1 
ATOM   1996 O O   D GLY   B 2 124 ? -15.418 8.759   -18.596 0.18 35.19  ? 133 GLY   B O   1 
ATOM   1997 O O   E GLY   B 2 124 ? -15.418 8.760   -18.596 0.18 35.19  ? 133 GLY   B O   1 
ATOM   1998 N N   A THR   B 2 125 ? -14.029 8.201   -19.257 0.22 34.85  ? 134 THR   B N   1 
ATOM   1999 N N   B THR   B 2 125 ? -14.029 8.199   -19.256 0.23 34.84  ? 134 THR   B N   1 
ATOM   2000 N N   C THR   B 2 125 ? -13.707 7.599   -19.727 0.18 35.56  ? 134 THR   B N   1 
ATOM   2001 N N   D THR   B 2 125 ? -13.707 7.599   -19.727 0.18 35.56  ? 134 THR   B N   1 
ATOM   2002 N N   E THR   B 2 125 ? -13.707 7.599   -19.727 0.18 35.56  ? 134 THR   B N   1 
ATOM   2003 C CA  A THR   B 2 125 ? -14.721 7.098   -19.977 0.22 34.65  ? 134 THR   B CA  1 
ATOM   2004 C CA  B THR   B 2 125 ? -14.723 7.096   -19.976 0.23 34.65  ? 134 THR   B CA  1 
ATOM   2005 C CA  C THR   B 2 125 ? -14.599 6.536   -20.285 0.18 35.27  ? 134 THR   B CA  1 
ATOM   2006 C CA  D THR   B 2 125 ? -14.599 6.536   -20.284 0.18 35.27  ? 134 THR   B CA  1 
ATOM   2007 C CA  E THR   B 2 125 ? -14.599 6.536   -20.285 0.18 35.27  ? 134 THR   B CA  1 
ATOM   2008 C C   A THR   B 2 125 ? -15.255 6.030   -18.907 0.22 33.82  ? 134 THR   B C   1 
ATOM   2009 C C   B THR   B 2 125 ? -15.263 6.032   -18.902 0.23 33.81  ? 134 THR   B C   1 
ATOM   2010 C C   C THR   B 2 125 ? -14.863 5.403   -19.185 0.18 34.42  ? 134 THR   B C   1 
ATOM   2011 C C   D THR   B 2 125 ? -14.864 5.403   -19.184 0.18 34.42  ? 134 THR   B C   1 
ATOM   2012 C C   E THR   B 2 125 ? -14.863 5.403   -19.185 0.18 34.42  ? 134 THR   B C   1 
ATOM   2013 O O   A THR   B 2 125 ? -16.004 5.233   -19.128 0.22 33.67  ? 134 THR   B O   1 
ATOM   2014 O O   B THR   B 2 125 ? -16.003 5.241   -19.114 0.23 33.67  ? 134 THR   B O   1 
ATOM   2015 O O   C THR   B 2 125 ? -15.741 4.493   -19.426 0.18 34.24  ? 134 THR   B O   1 
ATOM   2016 O O   D THR   B 2 125 ? -15.742 4.494   -19.425 0.18 34.24  ? 134 THR   B O   1 
ATOM   2017 O O   E THR   B 2 125 ? -15.741 4.493   -19.426 0.18 34.24  ? 134 THR   B O   1 
ATOM   2018 C CB  A THR   B 2 125 ? -13.827 6.633   -21.140 0.22 35.40  ? 134 THR   B CB  1 
ATOM   2019 C CB  B THR   B 2 125 ? -13.828 6.632   -21.138 0.23 35.39  ? 134 THR   B CB  1 
ATOM   2020 C CB  C THR   B 2 125 ? -14.053 6.013   -21.625 0.18 36.03  ? 134 THR   B CB  1 
ATOM   2021 C CB  D THR   B 2 125 ? -14.053 6.013   -21.624 0.18 36.03  ? 134 THR   B CB  1 
ATOM   2022 C CB  E THR   B 2 125 ? -14.053 6.013   -21.625 0.18 36.03  ? 134 THR   B CB  1 
ATOM   2023 O OG1 A THR   B 2 125 ? -13.293 7.833   -21.714 0.22 36.00  ? 134 THR   B OG1 1 
ATOM   2024 O OG1 B THR   B 2 125 ? -13.296 7.833   -21.713 0.23 35.99  ? 134 THR   B OG1 1 
ATOM   2025 O OG1 C THR   B 2 125 ? -13.420 7.125   -22.261 0.18 36.75  ? 134 THR   B OG1 1 
ATOM   2026 O OG1 D THR   B 2 125 ? -13.420 7.125   -22.260 0.18 36.75  ? 134 THR   B OG1 1 
ATOM   2027 O OG1 E THR   B 2 125 ? -13.420 7.125   -22.261 0.18 36.75  ? 134 THR   B OG1 1 
ATOM   2028 C CG2 A THR   B 2 125 ? -14.556 5.841   -22.205 0.22 35.63  ? 134 THR   B CG2 1 
ATOM   2029 C CG2 B THR   B 2 125 ? -14.558 5.840   -22.204 0.23 35.63  ? 134 THR   B CG2 1 
ATOM   2030 C CG2 C THR   B 2 125 ? -15.107 5.441   -22.558 0.18 36.17  ? 134 THR   B CG2 1 
ATOM   2031 C CG2 D THR   B 2 125 ? -15.107 5.441   -22.558 0.18 36.17  ? 134 THR   B CG2 1 
ATOM   2032 C CG2 E THR   B 2 125 ? -15.107 5.441   -22.558 0.18 36.17  ? 134 THR   B CG2 1 
ATOM   2033 N N   A SER   B 2 126 ? -14.503 6.053   -17.736 0.22 33.35  ? 135 SER   B N   1 
ATOM   2034 N N   B SER   B 2 126 ? -14.503 6.052   -17.735 0.23 33.34  ? 135 SER   B N   1 
ATOM   2035 N N   C SER   B 2 126 ? -14.245 5.675   -17.981 0.18 33.87  ? 135 SER   B N   1 
ATOM   2036 N N   D SER   B 2 126 ? -14.245 5.675   -17.980 0.18 33.87  ? 135 SER   B N   1 
ATOM   2037 N N   E SER   B 2 126 ? -14.245 5.675   -17.981 0.18 33.87  ? 135 SER   B N   1 
ATOM   2038 C CA  A SER   B 2 126 ? -14.677 5.071   -16.616 0.22 32.66  ? 135 SER   B CA  1 
ATOM   2039 C CA  B SER   B 2 126 ? -14.675 5.069   -16.615 0.23 32.66  ? 135 SER   B CA  1 
ATOM   2040 C CA  C SER   B 2 126 ? -14.390 4.836   -16.750 0.18 33.16  ? 135 SER   B CA  1 
ATOM   2041 C CA  D SER   B 2 126 ? -14.389 4.836   -16.749 0.18 33.16  ? 135 SER   B CA  1 
ATOM   2042 C CA  E SER   B 2 126 ? -14.390 4.836   -16.750 0.18 33.16  ? 135 SER   B CA  1 
ATOM   2043 C C   A SER   B 2 126 ? -16.208 4.704   -16.363 0.22 32.16  ? 135 SER   B C   1 
ATOM   2044 C C   B SER   B 2 126 ? -16.205 4.700   -16.354 0.23 32.16  ? 135 SER   B C   1 
ATOM   2045 C C   C SER   B 2 126 ? -15.904 4.779   -16.280 0.18 32.54  ? 135 SER   B C   1 
ATOM   2046 C C   D SER   B 2 126 ? -15.903 4.779   -16.279 0.18 32.54  ? 135 SER   B C   1 
ATOM   2047 C C   E SER   B 2 126 ? -15.904 4.779   -16.280 0.18 32.54  ? 135 SER   B C   1 
ATOM   2048 O O   A SER   B 2 126 ? -17.091 5.570   -16.188 0.22 31.87  ? 135 SER   B O   1 
ATOM   2049 O O   B SER   B 2 126 ? -17.088 5.564   -16.189 0.23 31.87  ? 135 SER   B O   1 
ATOM   2050 O O   C SER   B 2 126 ? -16.500 5.845   -15.732 0.18 32.32  ? 135 SER   B O   1 
ATOM   2051 O O   D SER   B 2 126 ? -16.499 5.845   -15.732 0.18 32.32  ? 135 SER   B O   1 
ATOM   2052 O O   E SER   B 2 126 ? -16.500 5.845   -15.732 0.18 32.32  ? 135 SER   B O   1 
ATOM   2053 C CB  A SER   B 2 126 ? -14.104 5.580   -15.326 0.22 32.36  ? 135 SER   B CB  1 
ATOM   2054 C CB  B SER   B 2 126 ? -14.104 5.580   -15.325 0.23 32.36  ? 135 SER   B CB  1 
ATOM   2055 C CB  C SER   B 2 126 ? -13.545 5.348   -15.613 0.18 32.95  ? 135 SER   B CB  1 
ATOM   2056 C CB  D SER   B 2 126 ? -13.545 5.348   -15.612 0.18 32.95  ? 135 SER   B CB  1 
ATOM   2057 C CB  E SER   B 2 126 ? -13.545 5.348   -15.613 0.18 32.95  ? 135 SER   B CB  1 
ATOM   2058 O OG  A SER   B 2 126 ? -12.675 5.597   -15.352 0.22 32.62  ? 135 SER   B OG  1 
ATOM   2059 O OG  B SER   B 2 126 ? -12.674 5.595   -15.348 0.23 32.61  ? 135 SER   B OG  1 
ATOM   2060 O OG  C SER   B 2 126 ? -12.201 4.882   -15.696 0.18 33.31  ? 135 SER   B OG  1 
ATOM   2061 O OG  D SER   B 2 126 ? -12.201 4.883   -15.695 0.18 33.31  ? 135 SER   B OG  1 
ATOM   2062 O OG  E SER   B 2 126 ? -12.201 4.882   -15.696 0.18 33.31  ? 135 SER   B OG  1 
ATOM   2063 N N   A GLY   B 2 127 ? -16.406 3.356   -16.223 0.22 31.97  ? 136 GLY   B N   1 
ATOM   2064 N N   B GLY   B 2 127 ? -16.404 3.353   -16.225 0.23 31.96  ? 136 GLY   B N   1 
ATOM   2065 N N   C GLY   B 2 127 ? -16.399 3.485   -16.303 0.18 32.28  ? 136 GLY   B N   1 
ATOM   2066 N N   D GLY   B 2 127 ? -16.399 3.485   -16.303 0.18 32.28  ? 136 GLY   B N   1 
ATOM   2067 N N   E GLY   B 2 127 ? -16.399 3.485   -16.303 0.18 32.28  ? 136 GLY   B N   1 
ATOM   2068 C CA  A GLY   B 2 127 ? -17.757 2.795   -16.024 0.22 31.81  ? 136 GLY   B CA  1 
ATOM   2069 C CA  B GLY   B 2 127 ? -17.756 2.793   -16.025 0.23 31.81  ? 136 GLY   B CA  1 
ATOM   2070 C CA  C GLY   B 2 127 ? -17.822 3.165   -16.061 0.18 31.99  ? 136 GLY   B CA  1 
ATOM   2071 C CA  D GLY   B 2 127 ? -17.822 3.165   -16.061 0.18 31.99  ? 136 GLY   B CA  1 
ATOM   2072 C CA  E GLY   B 2 127 ? -17.822 3.165   -16.061 0.18 31.99  ? 136 GLY   B CA  1 
ATOM   2073 C C   A GLY   B 2 127 ? -18.535 2.521   -17.309 0.22 32.31  ? 136 GLY   B C   1 
ATOM   2074 C C   B GLY   B 2 127 ? -18.536 2.522   -17.308 0.23 32.31  ? 136 GLY   B C   1 
ATOM   2075 C C   C GLY   B 2 127 ? -18.550 2.624   -17.296 0.18 32.39  ? 136 GLY   B C   1 
ATOM   2076 C C   D GLY   B 2 127 ? -18.550 2.624   -17.296 0.18 32.39  ? 136 GLY   B C   1 
ATOM   2077 C C   E GLY   B 2 127 ? -18.550 2.624   -17.296 0.18 32.39  ? 136 GLY   B C   1 
ATOM   2078 O O   A GLY   B 2 127 ? -19.697 1.985   -17.174 0.22 32.15  ? 136 GLY   B O   1 
ATOM   2079 O O   B GLY   B 2 127 ? -19.700 1.989   -17.172 0.23 32.15  ? 136 GLY   B O   1 
ATOM   2080 O O   C GLY   B 2 127 ? -19.678 1.986   -17.102 0.18 32.21  ? 136 GLY   B O   1 
ATOM   2081 O O   D GLY   B 2 127 ? -19.678 1.986   -17.101 0.18 32.21  ? 136 GLY   B O   1 
ATOM   2082 O O   E GLY   B 2 127 ? -19.678 1.986   -17.102 0.18 32.21  ? 136 GLY   B O   1 
ATOM   2083 N N   . SER   B 2 128 ? -17.958 2.827   -18.498 1.00 32.96  ? 137 SER   B N   1 
ATOM   2084 C CA  . SER   B 2 128 ? -18.556 2.362   -19.773 1.00 33.73  ? 137 SER   B CA  1 
ATOM   2085 C C   . SER   B 2 128 ? -18.805 0.805   -19.360 1.00 34.02  ? 137 SER   B C   1 
ATOM   2086 O O   . SER   B 2 128 ? -17.962 0.047   -18.945 1.00 34.42  ? 137 SER   B O   1 
ATOM   2087 C CB  . SER   B 2 128 ? -17.712 2.720   -20.982 1.00 34.17  ? 137 SER   B CB  1 
ATOM   2088 O OG  . SER   B 2 128 ? -17.656 4.169   -20.877 1.00 34.15  ? 137 SER   B OG  1 
ATOM   2089 N N   . PRO   B 2 129 ? -20.019 0.360   -19.742 1.00 34.00  ? 138 PRO   B N   1 
ATOM   2090 C CA  . PRO   B 2 129 ? -20.369 -1.058  -19.855 1.00 34.24  ? 138 PRO   B CA  1 
ATOM   2091 C C   . PRO   B 2 129 ? -19.689 -1.897  -21.046 1.00 35.40  ? 138 PRO   B C   1 
ATOM   2092 O O   . PRO   B 2 129 ? -19.442 -1.447  -22.181 1.00 35.49  ? 138 PRO   B O   1 
ATOM   2093 C CB  . PRO   B 2 129 ? -21.892 -1.094  -20.119 1.00 34.46  ? 138 PRO   B CB  1 
ATOM   2094 C CG  . PRO   B 2 129 ? -22.184 0.151   -20.952 1.00 34.66  ? 138 PRO   B CG  1 
ATOM   2095 C CD  . PRO   B 2 129 ? -21.166 1.195   -20.542 1.00 34.32  ? 138 PRO   B CD  1 
ATOM   2096 N N   . ILE   B 2 130 ? -19.375 -3.144  -20.630 1.00 35.25  ? 139 ILE   B N   1 
ATOM   2097 C CA  . ILE   B 2 130 ? -18.892 -4.223  -21.551 1.00 36.42  ? 139 ILE   B CA  1 
ATOM   2098 C C   . ILE   B 2 130 ? -20.071 -5.188  -21.732 1.00 37.34  ? 139 ILE   B C   1 
ATOM   2099 O O   . ILE   B 2 130 ? -20.767 -5.522  -20.684 1.00 37.81  ? 139 ILE   B O   1 
ATOM   2100 C CB  . ILE   B 2 130 ? -17.652 -4.918  -20.981 1.00 36.12  ? 139 ILE   B CB  1 
ATOM   2101 C CG1 . ILE   B 2 130 ? -16.471 -3.949  -20.850 1.00 36.00  ? 139 ILE   B CG1 1 
ATOM   2102 C CG2 . ILE   B 2 130 ? -17.303 -6.133  -21.803 1.00 37.09  ? 139 ILE   B CG2 1 
ATOM   2103 C CD1 . ILE   B 2 130 ? -15.595 -4.284  -19.678 1.00 35.76  ? 139 ILE   B CD1 1 
ATOM   2104 N N   . LEU   B 2 131 ? -20.362 -5.498  -23.062 1.00 38.80  ? 140 LEU   B N   1 
ATOM   2105 C CA  . LEU   B 2 131 ? -21.536 -6.321  -23.442 1.00 40.51  ? 140 LEU   B CA  1 
ATOM   2106 C C   . LEU   B 2 131 ? -21.075 -7.659  -24.067 1.00 41.96  ? 140 LEU   B C   1 
ATOM   2107 O O   . LEU   B 2 131 ? -20.088 -7.650  -25.083 1.00 43.53  ? 140 LEU   B O   1 
ATOM   2108 C CB  . LEU   B 2 131 ? -22.305 -5.611  -24.579 1.00 41.14  ? 140 LEU   B CB  1 
ATOM   2109 C CG  . LEU   B 2 131 ? -22.783 -4.188  -24.302 1.00 40.95  ? 140 LEU   B CG  1 
ATOM   2110 C CD1 . LEU   B 2 131 ? -23.762 -3.722  -25.391 1.00 41.86  ? 140 LEU   B CD1 1 
ATOM   2111 C CD2 . LEU   B 2 131 ? -23.432 -4.089  -22.943 1.00 40.48  ? 140 LEU   B CD2 1 
ATOM   2112 N N   . ASP   B 2 132 ? -22.083 -8.700  -23.842 1.00 43.24  ? 141 ASP   B N   1 
ATOM   2113 C CA  . ASP   B 2 132 ? -21.996 -9.953  -24.636 1.00 46.04  ? 141 ASP   B CA  1 
ATOM   2114 C C   . ASP   B 2 132 ? -22.911 -9.791  -25.880 1.00 47.58  ? 141 ASP   B C   1 
ATOM   2115 O O   . ASP   B 2 132 ? -23.489 -8.658  -25.880 1.00 46.47  ? 141 ASP   B O   1 
ATOM   2116 C CB  . ASP   B 2 132 ? -22.372 -11.187 -23.820 1.00 46.92  ? 141 ASP   B CB  1 
ATOM   2117 C CG  . ASP   B 2 132 ? -23.903 -11.205 -23.374 1.00 47.56  ? 141 ASP   B CG  1 
ATOM   2118 O OD1 . ASP   B 2 132 ? -24.758 -10.596 -24.061 1.00 47.79  ? 141 ASP   B OD1 1 
ATOM   2119 O OD2 . ASP   B 2 132 ? -24.121 -11.982 -22.420 1.00 48.86  ? 141 ASP   B OD2 1 
ATOM   2120 N N   . LYS   B 2 133 ? -23.075 -10.916 -26.610 1.00 50.33  ? 142 LYS   B N   1 
ATOM   2121 C CA  . LYS   B 2 133 ? -23.672 -10.927 -27.967 1.00 53.54  ? 142 LYS   B CA  1 
ATOM   2122 C C   . LYS   B 2 133 ? -25.173 -10.647 -27.891 1.00 52.79  ? 142 LYS   B C   1 
ATOM   2123 O O   . LYS   B 2 133 ? -25.762 -10.326 -28.967 1.00 51.57  ? 142 LYS   B O   1 
ATOM   2124 C CB  . LYS   B 2 133 ? -23.418 -12.269 -28.667 1.00 56.97  ? 142 LYS   B CB  1 
ATOM   2125 C CG  . LYS   B 2 133 ? -22.076 -12.336 -29.381 1.00 60.41  ? 142 LYS   B CG  1 
ATOM   2126 C CD  . LYS   B 2 133 ? -21.367 -13.682 -29.323 1.00 63.07  ? 142 LYS   B CD  1 
ATOM   2127 C CE  . LYS   B 2 133 ? -20.078 -13.652 -30.125 1.00 64.98  ? 142 LYS   B CE  1 
ATOM   2128 N NZ  . LYS   B 2 133 ? -19.542 -15.006 -30.401 1.00 66.22  ? 142 LYS   B NZ  1 
ATOM   2129 N N   . CYS   B 2 134 ? -25.747 -10.799 -26.696 1.00 52.71  ? 143 CYS   B N   1 
ATOM   2130 C CA  . CYS   B 2 134 ? -27.185 -10.623 -26.403 1.00 52.74  ? 143 CYS   B CA  1 
ATOM   2131 C C   . CYS   B 2 134 ? -27.442 -9.264  -25.731 1.00 49.47  ? 143 CYS   B C   1 
ATOM   2132 O O   . CYS   B 2 134 ? -28.606 -9.050  -25.241 1.00 49.48  ? 143 CYS   B O   1 
ATOM   2133 C CB  . CYS   B 2 134 ? -27.661 -11.704 -25.449 1.00 54.50  ? 143 CYS   B CB  1 
ATOM   2134 S SG  . CYS   B 2 134 ? -27.496 -13.364 -26.135 1.00 58.35  ? 143 CYS   B SG  1 
ATOM   2135 N N   . GLY   B 2 135 ? -26.406 -8.382  -25.764 1.00 47.30  ? 144 GLY   B N   1 
ATOM   2136 C CA  . GLY   B 2 135 ? -26.510 -7.020  -25.234 1.00 45.16  ? 144 GLY   B CA  1 
ATOM   2137 C C   . GLY   B 2 135 ? -26.627 -7.002  -23.714 1.00 43.22  ? 144 GLY   B C   1 
ATOM   2138 O O   . GLY   B 2 135 ? -27.071 -5.980  -23.233 1.00 42.67  ? 144 GLY   B O   1 
ATOM   2139 N N   . ARG   B 2 136 ? -26.228 -8.061  -22.998 1.00 42.73  ? 145 ARG   B N   1 
ATOM   2140 C CA  . ARG   B 2 136 ? -26.195 -8.042  -21.493 1.00 41.76  ? 145 ARG   B CA  1 
ATOM   2141 C C   . ARG   B 2 136 ? -24.890 -7.388  -21.023 1.00 39.70  ? 145 ARG   B C   1 
ATOM   2142 O O   . ARG   B 2 136 ? -23.831 -7.598  -21.794 1.00 40.14  ? 145 ARG   B O   1 
ATOM   2143 C CB  . ARG   B 2 136 ? -26.381 -9.452  -20.951 1.00 43.67  ? 145 ARG   B CB  1 
ATOM   2144 C CG  . ARG   B 2 136 ? -27.841 -9.873  -20.971 1.00 45.83  ? 145 ARG   B CG  1 
ATOM   2145 C CD  . ARG   B 2 136 ? -27.960 -11.340 -20.662 1.00 48.69  ? 145 ARG   B CD  1 
ATOM   2146 N NE  . ARG   B 2 136 ? -27.293 -12.057 -21.724 1.00 51.57  ? 145 ARG   B NE  1 
ATOM   2147 C CZ  . ARG   B 2 136 ? -26.746 -13.266 -21.656 1.00 53.31  ? 145 ARG   B CZ  1 
ATOM   2148 N NH1 . ARG   B 2 136 ? -26.757 -13.956 -20.527 1.00 54.45  ? 145 ARG   B NH1 1 
ATOM   2149 N NH2 . ARG   B 2 136 ? -26.208 -13.788 -22.751 1.00 55.38  ? 145 ARG   B NH2 1 
ATOM   2150 N N   . VAL   B 2 137 ? -24.957 -6.632  -19.884 1.00 37.09  ? 146 VAL   B N   1 
ATOM   2151 C CA  . VAL   B 2 137 ? -23.742 -5.961  -19.331 1.00 35.92  ? 146 VAL   B CA  1 
ATOM   2152 C C   . VAL   B 2 137 ? -23.007 -7.024  -18.505 1.00 35.76  ? 146 VAL   B C   1 
ATOM   2153 O O   . VAL   B 2 137 ? -23.574 -7.497  -17.468 1.00 35.62  ? 146 VAL   B O   1 
ATOM   2154 C CB  . VAL   B 2 137 ? -24.063 -4.685  -18.528 1.00 34.78  ? 146 VAL   B CB  1 
ATOM   2155 C CG1 . VAL   B 2 137 ? -22.825 -4.052  -17.919 1.00 34.14  ? 146 VAL   B CG1 1 
ATOM   2156 C CG2 . VAL   B 2 137 ? -24.721 -3.650  -19.442 1.00 35.17  ? 146 VAL   B CG2 1 
ATOM   2157 N N   . ILE   B 2 138 ? -21.827 -7.423  -18.966 1.00 35.56  ? 147 ILE   B N   1 
ATOM   2158 C CA  . ILE   B 2 138 ? -20.973 -8.421  -18.243 1.00 35.77  ? 147 ILE   B CA  1 
ATOM   2159 C C   . ILE   B 2 138 ? -19.916 -7.744  -17.300 1.00 34.95  ? 147 ILE   B C   1 
ATOM   2160 O O   . ILE   B 2 138 ? -19.051 -8.505  -16.788 1.00 35.72  ? 147 ILE   B O   1 
ATOM   2161 C CB  . ILE   B 2 138 ? -20.310 -9.349  -19.275 1.00 36.36  ? 147 ILE   B CB  1 
ATOM   2162 C CG1 . ILE   B 2 138 ? -19.378 -8.561  -20.189 1.00 36.47  ? 147 ILE   B CG1 1 
ATOM   2163 C CG2 . ILE   B 2 138 ? -21.364 -10.129 -20.029 1.00 37.02  ? 147 ILE   B CG2 1 
ATOM   2164 C CD1 . ILE   B 2 138 ? -18.497 -9.424  -21.041 1.00 37.58  ? 147 ILE   B CD1 1 
ATOM   2165 N N   . GLY   B 2 139 ? -19.974 -6.384  -17.204 1.00 34.31  ? 148 GLY   B N   1 
ATOM   2166 C CA  . GLY   B 2 139 ? -19.139 -5.571  -16.261 1.00 33.14  ? 148 GLY   B CA  1 
ATOM   2167 C C   . GLY   B 2 139 ? -18.801 -4.195  -16.816 1.00 33.06  ? 148 GLY   B C   1 
ATOM   2168 O O   . GLY   B 2 139 ? -19.268 -3.825  -18.154 1.00 33.47  ? 148 GLY   B O   1 
ATOM   2169 N N   . LEU   B 2 140 ? -18.019 -3.437  -16.008 1.00 32.02  ? 149 LEU   B N   1 
ATOM   2170 C CA  . LEU   B 2 140 ? -17.689 -2.016  -16.255 1.00 31.67  ? 149 LEU   B CA  1 
ATOM   2171 C C   . LEU   B 2 140 ? -16.183 -1.889  -16.436 1.00 32.15  ? 149 LEU   B C   1 
ATOM   2172 O O   . LEU   B 2 140 ? -15.388 -2.615  -15.758 1.00 31.43  ? 149 LEU   B O   1 
ATOM   2173 C CB  . LEU   B 2 140 ? -18.137 -1.092  -15.117 1.00 31.10  ? 149 LEU   B CB  1 
ATOM   2174 C CG  . LEU   B 2 140 ? -19.611 -1.178  -14.741 1.00 30.60  ? 149 LEU   B CG  1 
ATOM   2175 C CD1 . LEU   B 2 140 ? -19.934 -0.064  -13.736 1.00 30.09  ? 149 LEU   B CD1 1 
ATOM   2176 C CD2 . LEU   B 2 140 ? -20.525 -1.101  -15.958 1.00 31.13  ? 149 LEU   B CD2 1 
ATOM   2177 N N   . TYR   B 2 141 ? -15.853 -1.055  -17.439 1.00 32.63  ? 150 TYR   B N   1 
ATOM   2178 C CA  . TYR   B 2 141 ? -14.496 -0.759  -17.918 1.00 33.87  ? 150 TYR   B CA  1 
ATOM   2179 C C   . TYR   B 2 141 ? -13.937 0.471   -17.222 1.00 33.77  ? 150 TYR   B C   1 
ATOM   2180 O O   . TYR   B 2 141 ? -14.645 1.457   -17.153 1.00 33.74  ? 150 TYR   B O   1 
ATOM   2181 C CB  . TYR   B 2 141 ? -14.687 -0.344  -19.393 1.00 34.99  ? 150 TYR   B CB  1 
ATOM   2182 C CG  . TYR   B 2 141 ? -13.506 0.296   -20.079 1.00 36.28  ? 150 TYR   B CG  1 
ATOM   2183 C CD1 . TYR   B 2 141 ? -13.384 1.673   -20.172 1.00 36.87  ? 150 TYR   B CD1 1 
ATOM   2184 C CD2 . TYR   B 2 141 ? -12.479 -0.491  -20.584 1.00 37.44  ? 150 TYR   B CD2 1 
ATOM   2185 C CE1 . TYR   B 2 141 ? -12.320 2.236   -20.870 1.00 38.66  ? 150 TYR   B CE1 1 
ATOM   2186 C CE2 . TYR   B 2 141 ? -11.413 0.060   -21.306 1.00 38.70  ? 150 TYR   B CE2 1 
ATOM   2187 C CZ  . TYR   B 2 141 ? -11.323 1.440   -21.422 1.00 39.01  ? 150 TYR   B CZ  1 
ATOM   2188 O OH  . TYR   B 2 141 ? -10.256 2.012   -22.096 1.00 43.12  ? 150 TYR   B OH  1 
ATOM   2189 N N   A GLY   B 2 142 ? -12.676 0.423   -16.781 0.22 34.02  ? 151 GLY   B N   1 
ATOM   2190 N N   B GLY   B 2 142 ? -12.675 0.425   -16.784 0.23 34.02  ? 151 GLY   B N   1 
ATOM   2191 N N   C GLY   B 2 142 ? -12.694 0.413   -16.725 0.18 34.06  ? 151 GLY   B N   1 
ATOM   2192 N N   D GLY   B 2 142 ? -12.694 0.413   -16.726 0.18 34.06  ? 151 GLY   B N   1 
ATOM   2193 N N   E GLY   B 2 142 ? -12.694 0.413   -16.725 0.18 34.06  ? 151 GLY   B N   1 
ATOM   2194 C CA  A GLY   B 2 142 ? -11.960 1.604   -16.253 0.22 34.30  ? 151 GLY   B CA  1 
ATOM   2195 C CA  B GLY   B 2 142 ? -11.960 1.607   -16.255 0.23 34.30  ? 151 GLY   B CA  1 
ATOM   2196 C CA  C GLY   B 2 142 ? -12.032 1.584   -16.107 0.18 34.33  ? 151 GLY   B CA  1 
ATOM   2197 C CA  D GLY   B 2 142 ? -12.033 1.584   -16.107 0.18 34.33  ? 151 GLY   B CA  1 
ATOM   2198 C CA  E GLY   B 2 142 ? -12.032 1.584   -16.107 0.18 34.33  ? 151 GLY   B CA  1 
ATOM   2199 C C   A GLY   B 2 142 ? -11.343 1.402   -14.844 0.22 34.19  ? 151 GLY   B C   1 
ATOM   2200 C C   B GLY   B 2 142 ? -11.345 1.406   -14.845 0.23 34.19  ? 151 GLY   B C   1 
ATOM   2201 C C   C GLY   B 2 142 ? -11.015 1.244   -14.989 0.18 34.41  ? 151 GLY   B C   1 
ATOM   2202 C C   D GLY   B 2 142 ? -11.016 1.244   -14.988 0.18 34.41  ? 151 GLY   B C   1 
ATOM   2203 C C   E GLY   B 2 142 ? -11.015 1.244   -14.989 0.18 34.41  ? 151 GLY   B C   1 
ATOM   2204 O O   A GLY   B 2 142 ? -10.666 2.486   -14.318 0.22 34.28  ? 151 GLY   B O   1 
ATOM   2205 O O   B GLY   B 2 142 ? -10.670 2.489   -14.322 0.23 34.28  ? 151 GLY   B O   1 
ATOM   2206 O O   C GLY   B 2 142 ? -10.062 2.186   -14.777 0.18 34.86  ? 151 GLY   B O   1 
ATOM   2207 O O   D GLY   B 2 142 ? -10.062 2.185   -14.778 0.18 34.86  ? 151 GLY   B O   1 
ATOM   2208 O O   E GLY   B 2 142 ? -10.062 2.186   -14.777 0.18 34.86  ? 151 GLY   B O   1 
ATOM   2209 N N   A ASN   B 2 143 ? -11.257 0.016   -14.464 0.22 34.35  ? 152 ASN   B N   1 
ATOM   2210 N N   B ASN   B 2 143 ? -11.260 0.019   -14.466 0.23 34.35  ? 152 ASN   B N   1 
ATOM   2211 N N   C ASN   B 2 143 ? -11.266 -0.043  -14.381 0.18 34.38  ? 152 ASN   B N   1 
ATOM   2212 N N   D ASN   B 2 143 ? -11.266 -0.044  -14.381 0.18 34.38  ? 152 ASN   B N   1 
ATOM   2213 N N   E ASN   B 2 143 ? -11.266 -0.043  -14.381 0.18 34.38  ? 152 ASN   B N   1 
ATOM   2214 C CA  A ASN   B 2 143 ? -10.270 -0.372  -13.384 0.22 34.46  ? 152 ASN   B CA  1 
ATOM   2215 C CA  B ASN   B 2 143 ? -10.273 -0.370  -13.388 0.23 34.47  ? 152 ASN   B CA  1 
ATOM   2216 C CA  C ASN   B 2 143 ? -10.278 -0.450  -13.309 0.18 34.43  ? 152 ASN   B CA  1 
ATOM   2217 C CA  D ASN   B 2 143 ? -10.278 -0.450  -13.309 0.18 34.43  ? 152 ASN   B CA  1 
ATOM   2218 C CA  E ASN   B 2 143 ? -10.278 -0.450  -13.309 0.18 34.43  ? 152 ASN   B CA  1 
ATOM   2219 C C   A ASN   B 2 143 ? -9.409  -1.614  -14.080 0.22 35.01  ? 152 ASN   B C   1 
ATOM   2220 C C   B ASN   B 2 143 ? -9.413  -1.614  -14.097 0.23 35.01  ? 152 ASN   B C   1 
ATOM   2221 C C   C ASN   B 2 143 ? -9.381  -1.651  -13.951 0.18 35.00  ? 152 ASN   B C   1 
ATOM   2222 C C   D ASN   B 2 143 ? -9.381  -1.651  -13.952 0.18 35.00  ? 152 ASN   B C   1 
ATOM   2223 C C   E ASN   B 2 143 ? -9.381  -1.651  -13.951 0.18 35.00  ? 152 ASN   B C   1 
ATOM   2224 O O   A ASN   B 2 143 ? -9.886  -2.649  -14.397 0.22 35.01  ? 152 ASN   B O   1 
ATOM   2225 O O   B ASN   B 2 143 ? -9.889  -2.644  -14.397 0.23 35.00  ? 152 ASN   B O   1 
ATOM   2226 O O   C ASN   B 2 143 ? -9.852  -2.617  -14.531 0.18 35.16  ? 152 ASN   B O   1 
ATOM   2227 O O   D ASN   B 2 143 ? -9.852  -2.617  -14.531 0.18 35.16  ? 152 ASN   B O   1 
ATOM   2228 O O   E ASN   B 2 143 ? -9.852  -2.617  -14.531 0.18 35.16  ? 152 ASN   B O   1 
ATOM   2229 C CB  A ASN   B 2 143 ? -10.909 -0.690  -12.025 0.22 33.96  ? 152 ASN   B CB  1 
ATOM   2230 C CB  B ASN   B 2 143 ? -10.909 -0.691  -12.028 0.23 33.96  ? 152 ASN   B CB  1 
ATOM   2231 C CB  C ASN   B 2 143 ? -10.937 -0.822  -11.975 0.18 33.85  ? 152 ASN   B CB  1 
ATOM   2232 C CB  D ASN   B 2 143 ? -10.937 -0.822  -11.975 0.18 33.85  ? 152 ASN   B CB  1 
ATOM   2233 C CB  E ASN   B 2 143 ? -10.937 -0.822  -11.975 0.18 33.85  ? 152 ASN   B CB  1 
ATOM   2234 C CG  A ASN   B 2 143 ? -9.860  -0.887  -10.943 0.22 34.03  ? 152 ASN   B CG  1 
ATOM   2235 C CG  B ASN   B 2 143 ? -9.857  -0.888  -10.949 0.23 34.04  ? 152 ASN   B CG  1 
ATOM   2236 C CG  C ASN   B 2 143 ? -9.915  -0.807  -10.853 0.18 33.80  ? 152 ASN   B CG  1 
ATOM   2237 C CG  D ASN   B 2 143 ? -9.915  -0.807  -10.853 0.18 33.80  ? 152 ASN   B CG  1 
ATOM   2238 C CG  E ASN   B 2 143 ? -9.915  -0.807  -10.853 0.18 33.80  ? 152 ASN   B CG  1 
ATOM   2239 O OD1 A ASN   B 2 143 ? -8.648  -0.534  -11.135 0.22 34.50  ? 152 ASN   B OD1 1 
ATOM   2240 O OD1 B ASN   B 2 143 ? -8.646  -0.538  -11.145 0.23 34.51  ? 152 ASN   B OD1 1 
ATOM   2241 O OD1 C ASN   B 2 143 ? -8.999  0.060   -10.852 0.18 33.89  ? 152 ASN   B OD1 1 
ATOM   2242 O OD1 D ASN   B 2 143 ? -8.999  0.061   -10.851 0.18 33.89  ? 152 ASN   B OD1 1 
ATOM   2243 O OD1 E ASN   B 2 143 ? -8.999  0.060   -10.852 0.18 33.89  ? 152 ASN   B OD1 1 
ATOM   2244 N ND2 A ASN   B 2 143 ? -10.346 -1.458  -9.769  0.22 33.67  ? 152 ASN   B ND2 1 
ATOM   2245 N ND2 B ASN   B 2 143 ? -10.343 -1.459  -9.771  0.23 33.67  ? 152 ASN   B ND2 1 
ATOM   2246 N ND2 C ASN   B 2 143 ? -10.023 -1.776  -9.942  0.18 33.59  ? 152 ASN   B ND2 1 
ATOM   2247 N ND2 D ASN   B 2 143 ? -10.022 -1.776  -9.942  0.18 33.59  ? 152 ASN   B ND2 1 
ATOM   2248 N ND2 E ASN   B 2 143 ? -10.023 -1.776  -9.942  0.18 33.59  ? 152 ASN   B ND2 1 
ATOM   2249 N N   . GLY   B 2 144 ? -7.913  -1.037  -13.942 1.00 35.54  ? 153 GLY   B N   1 
ATOM   2250 C CA  . GLY   B 2 144 ? -6.899  -2.001  -14.404 1.00 36.77  ? 153 GLY   B CA  1 
ATOM   2251 C C   . GLY   B 2 144 ? -5.498  -1.495  -14.182 1.00 38.39  ? 153 GLY   B C   1 
ATOM   2252 O O   . GLY   B 2 144 ? -5.198  -0.974  -13.070 1.00 38.22  ? 153 GLY   B O   1 
ATOM   2253 N N   . VAL   B 2 145 ? -4.664  -1.643  -15.218 1.00 40.07  ? 154 VAL   B N   1 
ATOM   2254 C CA  . VAL   B 2 145 ? -3.199  -1.688  -15.045 1.00 41.82  ? 154 VAL   B CA  1 
ATOM   2255 C C   . VAL   B 2 145 ? -2.511  -1.059  -16.268 1.00 44.62  ? 154 VAL   B C   1 
ATOM   2256 O O   . VAL   B 2 145 ? -3.069  -1.187  -17.384 1.00 44.25  ? 154 VAL   B O   1 
ATOM   2257 C CB  . VAL   B 2 145 ? -2.892  -3.167  -14.782 1.00 42.62  ? 154 VAL   B CB  1 
ATOM   2258 C CG1 . VAL   B 2 145 ? -2.332  -3.917  -15.945 1.00 43.06  ? 154 VAL   B CG1 1 
ATOM   2259 C CG2 . VAL   B 2 145 ? -2.084  -3.375  -13.519 1.00 43.21  ? 154 VAL   B CG2 1 
ATOM   2260 N N   . VAL   B 2 146 ? -1.398  -0.351  -16.037 1.00 46.50  ? 155 VAL   B N   1 
ATOM   2261 C CA  . VAL   B 2 146 ? -0.550  0.252   -17.107 1.00 49.33  ? 155 VAL   B CA  1 
ATOM   2262 C C   . VAL   B 2 146 ? 0.484   -0.791  -17.519 1.00 50.72  ? 155 VAL   B C   1 
ATOM   2263 O O   . VAL   B 2 146 ? 1.010   -1.469  -16.638 1.00 50.01  ? 155 VAL   B O   1 
ATOM   2264 C CB  . VAL   B 2 146 ? 0.074   1.579   -16.631 1.00 50.30  ? 155 VAL   B CB  1 
ATOM   2265 C CG1 . VAL   B 2 146 ? 1.273   1.996   -17.461 1.00 52.20  ? 155 VAL   B CG1 1 
ATOM   2266 C CG2 . VAL   B 2 146 ? -0.971  2.681   -16.635 1.00 50.91  ? 155 VAL   B CG2 1 
ATOM   2267 N N   . ILE   B 2 147 ? 0.777   -0.930  -18.813 1.00 53.13  ? 156 ILE   B N   1 
ATOM   2268 C CA  . ILE   B 2 147 ? 1.757   -1.954  -19.285 1.00 55.23  ? 156 ILE   B CA  1 
ATOM   2269 C C   . ILE   B 2 147 ? 3.004   -1.213  -19.872 1.00 58.73  ? 156 ILE   B C   1 
ATOM   2270 O O   . ILE   B 2 147 ? 3.109   0.111   -19.424 1.00 61.07  ? 156 ILE   B O   1 
ATOM   2271 C CB  . ILE   B 2 147 ? 1.070   -2.966  -20.227 1.00 56.12  ? 156 ILE   B CB  1 
ATOM   2272 C CG1 . ILE   B 2 147 ? 0.506   -2.332  -21.509 1.00 56.89  ? 156 ILE   B CG1 1 
ATOM   2273 C CG2 . ILE   B 2 147 ? -0.001  -3.717  -19.451 1.00 55.30  ? 156 ILE   B CG2 1 
ATOM   2274 C CD1 . ILE   B 2 147 ? -0.132  -3.327  -22.471 1.00 56.46  ? 156 ILE   B CD1 1 
ATOM   2275 N N   . LYS   B 2 148 ? 4.033   -2.099  -20.209 1.00 61.50  ? 157 LYS   B N   1 
ATOM   2276 C CA  . LYS   B 2 148 ? 5.369   -1.653  -20.693 1.00 64.26  ? 157 LYS   B CA  1 
ATOM   2277 C C   . LYS   B 2 148 ? 5.218   -0.482  -21.667 1.00 64.16  ? 157 LYS   B C   1 
ATOM   2278 O O   . LYS   B 2 148 ? 5.949   0.531   -21.541 1.00 65.20  ? 157 LYS   B O   1 
ATOM   2279 C CB  . LYS   B 2 148 ? 6.084   -2.816  -21.386 1.00 67.61  ? 157 LYS   B CB  1 
ATOM   2280 C CG  . LYS   B 2 148 ? 6.605   -3.878  -20.425 1.00 70.29  ? 157 LYS   B CG  1 
ATOM   2281 C CD  . LYS   B 2 148 ? 6.563   -5.285  -20.987 1.00 72.29  ? 157 LYS   B CD  1 
ATOM   2282 C CE  . LYS   B 2 148 ? 7.740   -5.590  -21.891 1.00 75.21  ? 157 LYS   B CE  1 
ATOM   2283 N NZ  . LYS   B 2 148 ? 8.890   -6.119  -21.111 1.00 76.69  ? 157 LYS   B NZ  1 
ATOM   2284 N N   A ASN   B 2 149 ? 4.263   -0.621  -22.594 0.22 63.70  ? 158 ASN   B N   1 
ATOM   2285 N N   B ASN   B 2 149 ? 4.263   -0.621  -22.594 0.23 63.71  ? 158 ASN   B N   1 
ATOM   2286 N N   C ASN   B 2 149 ? 4.291   -0.623  -22.620 0.18 63.62  ? 158 ASN   B N   1 
ATOM   2287 N N   D ASN   B 2 149 ? 4.291   -0.623  -22.620 0.18 63.62  ? 158 ASN   B N   1 
ATOM   2288 N N   E ASN   B 2 149 ? 4.291   -0.623  -22.620 0.18 63.62  ? 158 ASN   B N   1 
ATOM   2289 C CA  A ASN   B 2 149 ? 3.960   0.330   -23.698 0.22 63.89  ? 158 ASN   B CA  1 
ATOM   2290 C CA  B ASN   B 2 149 ? 3.960   0.330   -23.698 0.23 63.91  ? 158 ASN   B CA  1 
ATOM   2291 C CA  C ASN   B 2 149 ? 4.006   0.370   -23.692 0.18 63.75  ? 158 ASN   B CA  1 
ATOM   2292 C CA  D ASN   B 2 149 ? 4.006   0.370   -23.692 0.18 63.75  ? 158 ASN   B CA  1 
ATOM   2293 C CA  E ASN   B 2 149 ? 4.006   0.370   -23.692 0.18 63.75  ? 158 ASN   B CA  1 
ATOM   2294 C C   A ASN   B 2 149 ? 3.511   1.678   -23.110 0.22 62.62  ? 158 ASN   B C   1 
ATOM   2295 C C   B ASN   B 2 149 ? 3.511   1.678   -23.110 0.23 62.63  ? 158 ASN   B C   1 
ATOM   2296 C C   C ASN   B 2 149 ? 3.622   1.710   -23.051 0.18 62.50  ? 158 ASN   B C   1 
ATOM   2297 C C   D ASN   B 2 149 ? 3.622   1.710   -23.051 0.18 62.50  ? 158 ASN   B C   1 
ATOM   2298 C C   E ASN   B 2 149 ? 3.622   1.710   -23.051 0.18 62.50  ? 158 ASN   B C   1 
ATOM   2299 O O   A ASN   B 2 149 ? 3.679   2.702   -23.799 0.22 64.00  ? 158 ASN   B O   1 
ATOM   2300 O O   B ASN   B 2 149 ? 3.678   2.702   -23.799 0.23 64.03  ? 158 ASN   B O   1 
ATOM   2301 O O   C ASN   B 2 149 ? 3.971   2.758   -23.627 0.18 63.83  ? 158 ASN   B O   1 
ATOM   2302 O O   D ASN   B 2 149 ? 3.972   2.758   -23.626 0.18 63.83  ? 158 ASN   B O   1 
ATOM   2303 O O   E ASN   B 2 149 ? 3.971   2.758   -23.627 0.18 63.83  ? 158 ASN   B O   1 
ATOM   2304 C CB  A ASN   B 2 149 ? 2.900   -0.242  -24.651 0.22 64.04  ? 158 ASN   B CB  1 
ATOM   2305 C CB  B ASN   B 2 149 ? 2.900   -0.242  -24.651 0.23 64.06  ? 158 ASN   B CB  1 
ATOM   2306 C CB  C ASN   B 2 149 ? 2.899   -0.102  -24.644 0.18 63.79  ? 158 ASN   B CB  1 
ATOM   2307 C CB  D ASN   B 2 149 ? 2.899   -0.102  -24.644 0.18 63.80  ? 158 ASN   B CB  1 
ATOM   2308 C CB  E ASN   B 2 149 ? 2.899   -0.102  -24.644 0.18 63.79  ? 158 ASN   B CB  1 
ATOM   2309 C CG  A ASN   B 2 149 ? 2.955   -1.753  -24.797 0.22 64.17  ? 158 ASN   B CG  1 
ATOM   2310 C CG  B ASN   B 2 149 ? 2.956   -1.753  -24.797 0.23 64.19  ? 158 ASN   B CG  1 
ATOM   2311 C CG  C ASN   B 2 149 ? 2.489   -1.547  -24.435 0.18 63.42  ? 158 ASN   B CG  1 
ATOM   2312 C CG  D ASN   B 2 149 ? 2.490   -1.547  -24.435 0.18 63.42  ? 158 ASN   B CG  1 
ATOM   2313 C CG  E ASN   B 2 149 ? 2.489   -1.547  -24.435 0.18 63.42  ? 158 ASN   B CG  1 
ATOM   2314 O OD1 A ASN   B 2 149 ? 3.743   -2.425  -24.132 0.22 63.72  ? 158 ASN   B OD1 1 
ATOM   2315 O OD1 B ASN   B 2 149 ? 3.743   -2.425  -24.130 0.23 63.71  ? 158 ASN   B OD1 1 
ATOM   2316 O OD1 C ASN   B 2 149 ? 3.315   -2.399  -24.108 0.18 63.24  ? 158 ASN   B OD1 1 
ATOM   2317 O OD1 D ASN   B 2 149 ? 3.316   -2.399  -24.109 0.18 63.24  ? 158 ASN   B OD1 1 
ATOM   2318 O OD1 E ASN   B 2 149 ? 3.315   -2.399  -24.108 0.18 63.24  ? 158 ASN   B OD1 1 
ATOM   2319 N ND2 A ASN   B 2 149 ? 2.105   -2.304  -25.648 0.22 64.10  ? 158 ASN   B ND2 1 
ATOM   2320 N ND2 B ASN   B 2 149 ? 2.106   -2.305  -25.649 0.23 64.11  ? 158 ASN   B ND2 1 
ATOM   2321 N ND2 C ASN   B 2 149 ? 1.209   -1.830  -24.610 0.18 62.86  ? 158 ASN   B ND2 1 
ATOM   2322 N ND2 D ASN   B 2 149 ? 1.210   -1.831  -24.611 0.18 62.87  ? 158 ASN   B ND2 1 
ATOM   2323 N ND2 E ASN   B 2 149 ? 1.209   -1.830  -24.610 0.18 62.86  ? 158 ASN   B ND2 1 
ATOM   2324 N N   . GLY   B 2 150 ? 2.947   1.668   -21.895 1.00 60.78  ? 159 GLY   B N   1 
ATOM   2325 C CA  . GLY   B 2 150 ? 2.380   2.872   -21.242 1.00 56.31  ? 159 GLY   B CA  1 
ATOM   2326 C C   . GLY   B 2 150 ? 0.871   2.958   -21.468 1.00 52.70  ? 159 GLY   B C   1 
ATOM   2327 O O   . GLY   B 2 150 ? 0.230   3.895   -20.978 1.00 52.53  ? 159 GLY   B O   1 
ATOM   2328 N N   A SER   B 2 151 ? 0.338   1.982   -22.216 0.22 52.20  ? 160 SER   B N   1 
ATOM   2329 N N   B SER   B 2 151 ? 0.327   2.001   -22.231 0.23 52.04  ? 160 SER   B N   1 
ATOM   2330 N N   C SER   B 2 151 ? 0.333   1.986   -22.218 0.18 52.17  ? 160 SER   B N   1 
ATOM   2331 N N   D SER   B 2 151 ? 0.322   2.004   -22.231 0.18 52.00  ? 160 SER   B N   1 
ATOM   2332 N N   E SER   B 2 151 ? 0.333   1.986   -22.218 0.18 52.17  ? 160 SER   B N   1 
ATOM   2333 C CA  A SER   B 2 151 ? -1.107  1.766   -22.488 0.22 50.69  ? 160 SER   B CA  1 
ATOM   2334 C CA  B SER   B 2 151 ? -1.125  1.822   -22.491 0.23 50.42  ? 160 SER   B CA  1 
ATOM   2335 C CA  C SER   B 2 151 ? -1.115  1.760   -22.474 0.18 50.63  ? 160 SER   B CA  1 
ATOM   2336 C CA  D SER   B 2 151 ? -1.134  1.819   -22.480 0.18 50.36  ? 160 SER   B CA  1 
ATOM   2337 C CA  E SER   B 2 151 ? -1.115  1.760   -22.474 0.18 50.63  ? 160 SER   B CA  1 
ATOM   2338 C C   A SER   B 2 151 ? -1.808  1.297   -21.208 0.22 48.82  ? 160 SER   B C   1 
ATOM   2339 C C   B SER   B 2 151 ? -1.815  1.263   -21.240 0.23 48.70  ? 160 SER   B C   1 
ATOM   2340 C C   C SER   B 2 151 ? -1.801  1.274   -21.184 0.18 48.69  ? 160 SER   B C   1 
ATOM   2341 C C   D SER   B 2 151 ? -1.808  1.249   -21.219 0.18 48.55  ? 160 SER   B C   1 
ATOM   2342 C C   E SER   B 2 151 ? -1.801  1.274   -21.184 0.18 48.69  ? 160 SER   B C   1 
ATOM   2343 O O   A SER   B 2 151 ? -1.097  0.876   -20.268 0.22 48.46  ? 160 SER   B O   1 
ATOM   2344 O O   B SER   B 2 151 ? -1.105  0.723   -20.364 0.23 48.40  ? 160 SER   B O   1 
ATOM   2345 O O   C SER   B 2 151 ? -1.067  0.832   -20.276 0.18 48.42  ? 160 SER   B O   1 
ATOM   2346 O O   D SER   B 2 151 ? -1.070  0.713   -20.364 0.18 48.34  ? 160 SER   B O   1 
ATOM   2347 O O   E SER   B 2 151 ? -1.067  0.832   -20.276 0.18 48.42  ? 160 SER   B O   1 
ATOM   2348 C CB  A SER   B 2 151 ? -1.285  0.765   -23.603 0.22 51.07  ? 160 SER   B CB  1 
ATOM   2349 C CB  B SER   B 2 151 ? -1.339  0.917   -23.672 0.23 50.69  ? 160 SER   B CB  1 
ATOM   2350 C CB  C SER   B 2 151 ? -1.283  0.765   -23.597 0.18 51.06  ? 160 SER   B CB  1 
ATOM   2351 C CB  D SER   B 2 151 ? -1.344  0.919   -23.667 0.18 50.68  ? 160 SER   B CB  1 
ATOM   2352 C CB  E SER   B 2 151 ? -1.283  0.765   -23.597 0.18 51.06  ? 160 SER   B CB  1 
ATOM   2353 O OG  A SER   B 2 151 ? -2.555  0.914   -24.221 0.22 51.04  ? 160 SER   B OG  1 
ATOM   2354 O OG  B SER   B 2 151 ? -0.668  -0.318  -23.487 0.23 50.62  ? 160 SER   B OG  1 
ATOM   2355 O OG  C SER   B 2 151 ? -2.550  0.903   -24.215 0.18 51.01  ? 160 SER   B OG  1 
ATOM   2356 O OG  D SER   B 2 151 ? -0.672  -0.316  -23.485 0.18 50.65  ? 160 SER   B OG  1 
ATOM   2357 O OG  E SER   B 2 151 ? -2.550  0.903   -24.215 0.18 51.01  ? 160 SER   B OG  1 
ATOM   2358 N N   A TYR   B 2 152 ? -3.144  1.375   -21.192 0.22 47.51  ? 161 TYR   B N   1 
ATOM   2359 N N   B TYR   B 2 152 ? -3.147  1.379   -21.193 0.23 47.46  ? 161 TYR   B N   1 
ATOM   2360 N N   C TYR   B 2 152 ? -3.142  1.342   -21.109 0.18 47.09  ? 161 TYR   B N   1 
ATOM   2361 N N   D TYR   B 2 152 ? -3.145  1.346   -21.113 0.18 47.04  ? 161 TYR   B N   1 
ATOM   2362 N N   E TYR   B 2 152 ? -3.142  1.342   -21.109 0.18 47.09  ? 161 TYR   B N   1 
ATOM   2363 C CA  A TYR   B 2 152 ? -4.020  0.856   -20.108 0.22 45.89  ? 161 TYR   B CA  1 
ATOM   2364 C CA  B TYR   B 2 152 ? -4.020  0.855   -20.108 0.23 45.87  ? 161 TYR   B CA  1 
ATOM   2365 C CA  C TYR   B 2 152 ? -3.972  0.886   -19.952 0.18 45.31  ? 161 TYR   B CA  1 
ATOM   2366 C CA  D TYR   B 2 152 ? -3.971  0.886   -19.953 0.18 45.29  ? 161 TYR   B CA  1 
ATOM   2367 C CA  E TYR   B 2 152 ? -3.972  0.886   -19.952 0.18 45.31  ? 161 TYR   B CA  1 
ATOM   2368 C C   A TYR   B 2 152 ? -4.598  -0.501  -20.525 0.22 44.83  ? 161 TYR   B C   1 
ATOM   2369 C C   B TYR   B 2 152 ? -4.597  -0.503  -20.526 0.23 44.82  ? 161 TYR   B C   1 
ATOM   2370 C C   C TYR   B 2 152 ? -4.802  -0.347  -20.352 0.18 44.37  ? 161 TYR   B C   1 
ATOM   2371 C C   D TYR   B 2 152 ? -4.801  -0.347  -20.352 0.18 44.36  ? 161 TYR   B C   1 
ATOM   2372 C C   E TYR   B 2 152 ? -4.802  -0.347  -20.352 0.18 44.37  ? 161 TYR   B C   1 
ATOM   2373 O O   A TYR   B 2 152 ? -4.892  -0.701  -21.722 0.22 45.12  ? 161 TYR   B O   1 
ATOM   2374 O O   B TYR   B 2 152 ? -4.890  -0.705  -21.722 0.23 45.11  ? 161 TYR   B O   1 
ATOM   2375 O O   C TYR   B 2 152 ? -5.543  -0.275  -21.348 0.18 44.62  ? 161 TYR   B O   1 
ATOM   2376 O O   D TYR   B 2 152 ? -5.544  -0.274  -21.347 0.18 44.62  ? 161 TYR   B O   1 
ATOM   2377 O O   E TYR   B 2 152 ? -5.543  -0.275  -21.348 0.18 44.62  ? 161 TYR   B O   1 
ATOM   2378 C CB  A TYR   B 2 152 ? -5.152  1.835   -19.782 0.22 45.73  ? 161 TYR   B CB  1 
ATOM   2379 C CB  B TYR   B 2 152 ? -5.152  1.833   -19.781 0.23 45.72  ? 161 TYR   B CB  1 
ATOM   2380 C CB  C TYR   B 2 152 ? -4.897  2.007   -19.455 0.18 44.74  ? 161 TYR   B CB  1 
ATOM   2381 C CB  D TYR   B 2 152 ? -4.896  2.006   -19.455 0.18 44.74  ? 161 TYR   B CB  1 
ATOM   2382 C CB  E TYR   B 2 152 ? -4.897  2.007   -19.455 0.18 44.74  ? 161 TYR   B CB  1 
ATOM   2383 C CG  A TYR   B 2 152 ? -5.745  1.656   -18.407 0.22 45.12  ? 161 TYR   B CG  1 
ATOM   2384 C CG  B TYR   B 2 152 ? -5.744  1.654   -18.406 0.23 45.13  ? 161 TYR   B CG  1 
ATOM   2385 C CG  C TYR   B 2 152 ? -5.393  1.891   -18.030 0.18 43.86  ? 161 TYR   B CG  1 
ATOM   2386 C CG  D TYR   B 2 152 ? -5.393  1.891   -18.030 0.18 43.86  ? 161 TYR   B CG  1 
ATOM   2387 C CG  E TYR   B 2 152 ? -5.393  1.891   -18.030 0.18 43.86  ? 161 TYR   B CG  1 
ATOM   2388 C CD1 A TYR   B 2 152 ? -5.371  2.483   -17.358 0.22 45.02  ? 161 TYR   B CD1 1 
ATOM   2389 C CD1 B TYR   B 2 152 ? -5.371  2.482   -17.357 0.23 45.02  ? 161 TYR   B CD1 1 
ATOM   2390 C CD1 C TYR   B 2 152 ? -4.525  2.004   -16.954 0.18 43.68  ? 161 TYR   B CD1 1 
ATOM   2391 C CD1 D TYR   B 2 152 ? -4.525  2.003   -16.954 0.18 43.68  ? 161 TYR   B CD1 1 
ATOM   2392 C CD1 E TYR   B 2 152 ? -4.525  2.004   -16.954 0.18 43.68  ? 161 TYR   B CD1 1 
ATOM   2393 C CD2 A TYR   B 2 152 ? -6.672  0.659   -18.140 0.22 44.68  ? 161 TYR   B CD2 1 
ATOM   2394 C CD2 B TYR   B 2 152 ? -6.671  0.658   -18.139 0.23 44.69  ? 161 TYR   B CD2 1 
ATOM   2395 C CD2 C TYR   B 2 152 ? -6.744  1.741   -17.742 0.18 43.02  ? 161 TYR   B CD2 1 
ATOM   2396 C CD2 D TYR   B 2 152 ? -6.744  1.743   -17.743 0.18 43.02  ? 161 TYR   B CD2 1 
ATOM   2397 C CD2 E TYR   B 2 152 ? -6.744  1.741   -17.742 0.18 43.02  ? 161 TYR   B CD2 1 
ATOM   2398 C CE1 A TYR   B 2 152 ? -5.900  2.329   -16.086 0.22 44.44  ? 161 TYR   B CE1 1 
ATOM   2399 C CE1 B TYR   B 2 152 ? -5.900  2.328   -16.085 0.23 44.44  ? 161 TYR   B CE1 1 
ATOM   2400 C CE1 C TYR   B 2 152 ? -4.974  1.933   -15.641 0.18 42.87  ? 161 TYR   B CE1 1 
ATOM   2401 C CE1 D TYR   B 2 152 ? -4.974  1.932   -15.641 0.18 42.87  ? 161 TYR   B CE1 1 
ATOM   2402 C CE1 E TYR   B 2 152 ? -4.974  1.933   -15.641 0.18 42.87  ? 161 TYR   B CE1 1 
ATOM   2403 C CE2 A TYR   B 2 152 ? -7.216  0.496   -16.873 0.22 43.89  ? 161 TYR   B CE2 1 
ATOM   2404 C CE2 B TYR   B 2 152 ? -7.216  0.495   -16.872 0.23 43.89  ? 161 TYR   B CE2 1 
ATOM   2405 C CE2 C TYR   B 2 152 ? -7.210  1.664   -16.438 0.18 42.24  ? 161 TYR   B CE2 1 
ATOM   2406 C CE2 D TYR   B 2 152 ? -7.210  1.665   -16.438 0.18 42.24  ? 161 TYR   B CE2 1 
ATOM   2407 C CE2 E TYR   B 2 152 ? -7.210  1.664   -16.438 0.18 42.24  ? 161 TYR   B CE2 1 
ATOM   2408 C CZ  A TYR   B 2 152 ? -6.828  1.333   -15.838 0.22 43.84  ? 161 TYR   B CZ  1 
ATOM   2409 C CZ  B TYR   B 2 152 ? -6.829  1.332   -15.837 0.23 43.85  ? 161 TYR   B CZ  1 
ATOM   2410 C CZ  C TYR   B 2 152 ? -6.322  1.760   -15.378 0.18 42.14  ? 161 TYR   B CZ  1 
ATOM   2411 C CZ  D TYR   B 2 152 ? -6.322  1.760   -15.378 0.18 42.14  ? 161 TYR   B CZ  1 
ATOM   2412 C CZ  E TYR   B 2 152 ? -6.322  1.760   -15.378 0.18 42.14  ? 161 TYR   B CZ  1 
ATOM   2413 O OH  A TYR   B 2 152 ? -7.347  1.205   -14.576 0.22 43.20  ? 161 TYR   B OH  1 
ATOM   2414 O OH  B TYR   B 2 152 ? -7.348  1.206   -14.574 0.23 43.21  ? 161 TYR   B OH  1 
ATOM   2415 O OH  C TYR   B 2 152 ? -6.769  1.699   -14.084 0.18 41.25  ? 161 TYR   B OH  1 
ATOM   2416 O OH  D TYR   B 2 152 ? -6.771  1.700   -14.084 0.18 41.25  ? 161 TYR   B OH  1 
ATOM   2417 O OH  E TYR   B 2 152 ? -6.769  1.699   -14.084 0.18 41.25  ? 161 TYR   B OH  1 
ATOM   2418 N N   . VAL   B 2 153 ? -4.703  -1.431  -19.571 1.00 43.46  ? 162 VAL   B N   1 
ATOM   2419 C CA  . VAL   B 2 153 ? -5.518  -2.672  -19.766 1.00 41.07  ? 162 VAL   B CA  1 
ATOM   2420 C C   . VAL   B 2 153 ? -6.502  -2.715  -18.582 1.00 38.62  ? 162 VAL   B C   1 
ATOM   2421 O O   . VAL   B 2 153 ? -6.046  -2.685  -17.421 1.00 38.40  ? 162 VAL   B O   1 
ATOM   2422 C CB  . VAL   B 2 153 ? -4.673  -3.957  -19.813 1.00 40.82  ? 162 VAL   B CB  1 
ATOM   2423 C CG1 . VAL   B 2 153 ? -5.575  -5.192  -19.908 1.00 40.27  ? 162 VAL   B CG1 1 
ATOM   2424 C CG2 . VAL   B 2 153 ? -3.649  -3.938  -20.958 1.00 42.26  ? 162 VAL   B CG2 1 
ATOM   2425 N N   A SER   B 2 154 ? -7.805  -2.840  -18.885 0.22 38.04  ? 163 SER   B N   1 
ATOM   2426 N N   B SER   B 2 154 ? -7.805  -2.843  -18.886 0.23 38.03  ? 163 SER   B N   1 
ATOM   2427 N N   C SER   B 2 154 ? -7.814  -2.778  -18.874 0.18 38.07  ? 163 SER   B N   1 
ATOM   2428 N N   D SER   B 2 154 ? -7.814  -2.779  -18.873 0.18 38.06  ? 163 SER   B N   1 
ATOM   2429 N N   E SER   B 2 154 ? -7.814  -2.778  -18.874 0.18 38.07  ? 163 SER   B N   1 
ATOM   2430 C CA  A SER   B 2 154 ? -8.912  -2.740  -17.888 0.22 36.89  ? 163 SER   B CA  1 
ATOM   2431 C CA  B SER   B 2 154 ? -8.913  -2.741  -17.889 0.23 36.88  ? 163 SER   B CA  1 
ATOM   2432 C CA  C SER   B 2 154 ? -8.888  -2.719  -17.835 0.18 36.92  ? 163 SER   B CA  1 
ATOM   2433 C CA  D SER   B 2 154 ? -8.888  -2.719  -17.835 0.18 36.92  ? 163 SER   B CA  1 
ATOM   2434 C CA  E SER   B 2 154 ? -8.888  -2.719  -17.835 0.18 36.92  ? 163 SER   B CA  1 
ATOM   2435 C C   A SER   B 2 154 ? -9.454  -4.147  -17.522 0.22 36.44  ? 163 SER   B C   1 
ATOM   2436 C C   B SER   B 2 154 ? -9.457  -4.148  -17.521 0.23 36.44  ? 163 SER   B C   1 
ATOM   2437 C C   C SER   B 2 154 ? -9.444  -4.143  -17.554 0.18 36.52  ? 163 SER   B C   1 
ATOM   2438 C C   D SER   B 2 154 ? -9.444  -4.143  -17.553 0.18 36.52  ? 163 SER   B C   1 
ATOM   2439 C C   E SER   B 2 154 ? -9.444  -4.143  -17.554 0.18 36.52  ? 163 SER   B C   1 
ATOM   2440 O O   A SER   B 2 154 ? -9.832  -4.990  -18.437 0.22 36.77  ? 163 SER   B O   1 
ATOM   2441 O O   B SER   B 2 154 ? -9.846  -4.992  -18.431 0.23 36.77  ? 163 SER   B O   1 
ATOM   2442 O O   C SER   B 2 154 ? -9.785  -4.954  -18.515 0.18 36.94  ? 163 SER   B O   1 
ATOM   2443 O O   D SER   B 2 154 ? -9.784  -4.955  -18.514 0.18 36.94  ? 163 SER   B O   1 
ATOM   2444 O O   E SER   B 2 154 ? -9.785  -4.954  -18.515 0.18 36.94  ? 163 SER   B O   1 
ATOM   2445 C CB  A SER   B 2 154 ? -10.026 -1.833  -18.387 0.22 36.70  ? 163 SER   B CB  1 
ATOM   2446 C CB  B SER   B 2 154 ? -10.027 -1.834  -18.389 0.23 36.69  ? 163 SER   B CB  1 
ATOM   2447 C CB  C SER   B 2 154 ? -9.992  -1.744  -18.222 0.18 36.68  ? 163 SER   B CB  1 
ATOM   2448 C CB  D SER   B 2 154 ? -9.992  -1.744  -18.221 0.18 36.68  ? 163 SER   B CB  1 
ATOM   2449 C CB  E SER   B 2 154 ? -9.992  -1.744  -18.222 0.18 36.68  ? 163 SER   B CB  1 
ATOM   2450 O OG  A SER   B 2 154 ? -11.199 -1.955  -17.552 0.22 35.90  ? 163 SER   B OG  1 
ATOM   2451 O OG  B SER   B 2 154 ? -11.204 -1.956  -17.554 0.23 35.90  ? 163 SER   B OG  1 
ATOM   2452 O OG  C SER   B 2 154 ? -11.134 -1.883  -17.369 0.18 35.88  ? 163 SER   B OG  1 
ATOM   2453 O OG  D SER   B 2 154 ? -11.134 -1.884  -17.369 0.18 35.88  ? 163 SER   B OG  1 
ATOM   2454 O OG  E SER   B 2 154 ? -11.134 -1.883  -17.369 0.18 35.88  ? 163 SER   B OG  1 
ATOM   2455 N N   A ALA   B 2 155 ? -9.652  -4.404  -16.212 0.22 35.56  ? 164 ALA   B N   1 
ATOM   2456 N N   B ALA   B 2 155 ? -9.652  -4.401  -16.211 0.23 35.55  ? 164 ALA   B N   1 
ATOM   2457 N N   C ALA   B 2 155 ? -9.704  -4.446  -16.258 0.18 35.64  ? 164 ALA   B N   1 
ATOM   2458 N N   D ALA   B 2 155 ? -9.705  -4.446  -16.258 0.18 35.64  ? 164 ALA   B N   1 
ATOM   2459 N N   E ALA   B 2 155 ? -9.704  -4.446  -16.258 0.18 35.64  ? 164 ALA   B N   1 
ATOM   2460 C CA  A ALA   B 2 155 ? -10.497 -5.535  -15.736 0.22 35.23  ? 164 ALA   B CA  1 
ATOM   2461 C CA  B ALA   B 2 155 ? -10.499 -5.530  -15.729 0.23 35.22  ? 164 ALA   B CA  1 
ATOM   2462 C CA  C ALA   B 2 155 ? -10.537 -5.617  -15.850 0.18 35.31  ? 164 ALA   B CA  1 
ATOM   2463 C CA  D ALA   B 2 155 ? -10.537 -5.618  -15.849 0.18 35.31  ? 164 ALA   B CA  1 
ATOM   2464 C CA  E ALA   B 2 155 ? -10.537 -5.617  -15.850 0.18 35.31  ? 164 ALA   B CA  1 
ATOM   2465 C C   A ALA   B 2 155 ? -11.966 -5.248  -16.226 0.22 35.04  ? 164 ALA   B C   1 
ATOM   2466 C C   B ALA   B 2 155 ? -11.968 -5.241  -16.227 0.23 35.04  ? 164 ALA   B C   1 
ATOM   2467 C C   C ALA   B 2 155 ? -12.019 -5.330  -16.286 0.18 35.07  ? 164 ALA   B C   1 
ATOM   2468 C C   D ALA   B 2 155 ? -12.019 -5.333  -16.285 0.18 35.07  ? 164 ALA   B C   1 
ATOM   2469 C C   E ALA   B 2 155 ? -12.019 -5.330  -16.286 0.18 35.07  ? 164 ALA   B C   1 
ATOM   2470 O O   A ALA   B 2 155 ? -12.611 -4.086  -16.344 0.22 35.02  ? 164 ALA   B O   1 
ATOM   2471 O O   B ALA   B 2 155 ? -12.620 -4.082  -16.344 0.23 35.03  ? 164 ALA   B O   1 
ATOM   2472 O O   C ALA   B 2 155 ? -12.621 -4.139  -16.451 0.18 35.02  ? 164 ALA   B O   1 
ATOM   2473 O O   D ALA   B 2 155 ? -12.621 -4.142  -16.451 0.18 35.02  ? 164 ALA   B O   1 
ATOM   2474 O O   E ALA   B 2 155 ? -12.621 -4.139  -16.451 0.18 35.02  ? 164 ALA   B O   1 
ATOM   2475 C CB  A ALA   B 2 155 ? -10.430 -5.685  -14.182 0.22 34.67  ? 164 ALA   B CB  1 
ATOM   2476 C CB  B ALA   B 2 155 ? -10.426 -5.673  -14.172 0.23 34.66  ? 164 ALA   B CB  1 
ATOM   2477 C CB  C ALA   B 2 155 ? -10.453 -5.829  -14.305 0.18 34.81  ? 164 ALA   B CB  1 
ATOM   2478 C CB  D ALA   B 2 155 ? -10.452 -5.830  -14.304 0.18 34.81  ? 164 ALA   B CB  1 
ATOM   2479 C CB  E ALA   B 2 155 ? -10.453 -5.829  -14.305 0.18 34.81  ? 164 ALA   B CB  1 
ATOM   2480 N N   A ILE   B 2 156 ? -12.538 -6.479  -16.708 0.22 35.16  ? 165 ILE   B N   1 
ATOM   2481 N N   B ILE   B 2 156 ? -12.538 -6.473  -16.706 0.23 35.15  ? 165 ILE   B N   1 
ATOM   2482 N N   C ILE   B 2 156 ? -12.615 -6.624  -16.744 0.18 35.21  ? 165 ILE   B N   1 
ATOM   2483 N N   D ILE   B 2 156 ? -12.615 -6.620  -16.749 0.18 35.21  ? 165 ILE   B N   1 
ATOM   2484 N N   E ILE   B 2 156 ? -12.615 -6.624  -16.744 0.18 35.21  ? 165 ILE   B N   1 
ATOM   2485 C CA  A ILE   B 2 156 ? -14.026 -6.652  -16.818 0.22 34.95  ? 165 ILE   B CA  1 
ATOM   2486 C CA  B ILE   B 2 156 ? -14.026 -6.650  -16.815 0.23 34.94  ? 165 ILE   B CA  1 
ATOM   2487 C CA  C ILE   B 2 156 ? -14.110 -6.718  -16.848 0.18 34.97  ? 165 ILE   B CA  1 
ATOM   2488 C CA  D ILE   B 2 156 ? -14.111 -6.717  -16.848 0.18 34.97  ? 165 ILE   B CA  1 
ATOM   2489 C CA  E ILE   B 2 156 ? -14.110 -6.718  -16.848 0.18 34.97  ? 165 ILE   B CA  1 
ATOM   2490 C C   A ILE   B 2 156 ? -14.523 -6.740  -15.360 0.22 34.18  ? 165 ILE   B C   1 
ATOM   2491 C C   B ILE   B 2 156 ? -14.522 -6.738  -15.357 0.23 34.18  ? 165 ILE   B C   1 
ATOM   2492 C C   C ILE   B 2 156 ? -14.629 -6.817  -15.405 0.18 34.26  ? 165 ILE   B C   1 
ATOM   2493 C C   D ILE   B 2 156 ? -14.627 -6.817  -15.405 0.18 34.26  ? 165 ILE   B C   1 
ATOM   2494 C C   E ILE   B 2 156 ? -14.629 -6.817  -15.405 0.18 34.26  ? 165 ILE   B C   1 
ATOM   2495 O O   A ILE   B 2 156 ? -14.389 -7.814  -14.761 0.22 34.03  ? 165 ILE   B O   1 
ATOM   2496 O O   B ILE   B 2 156 ? -14.381 -7.810  -14.756 0.23 34.02  ? 165 ILE   B O   1 
ATOM   2497 O O   C ILE   B 2 156 ? -14.735 -7.934  -14.872 0.18 34.16  ? 165 ILE   B O   1 
ATOM   2498 O O   D ILE   B 2 156 ? -14.732 -7.934  -14.871 0.18 34.16  ? 165 ILE   B O   1 
ATOM   2499 O O   E ILE   B 2 156 ? -14.735 -7.934  -14.872 0.18 34.16  ? 165 ILE   B O   1 
ATOM   2500 C CB  A ILE   B 2 156 ? -14.415 -7.870  -17.693 0.22 35.75  ? 165 ILE   B CB  1 
ATOM   2501 C CB  B ILE   B 2 156 ? -14.414 -7.869  -17.691 0.23 35.75  ? 165 ILE   B CB  1 
ATOM   2502 C CB  C ILE   B 2 156 ? -14.600 -7.871  -17.754 0.18 35.71  ? 165 ILE   B CB  1 
ATOM   2503 C CB  D ILE   B 2 156 ? -14.600 -7.871  -17.755 0.18 35.71  ? 165 ILE   B CB  1 
ATOM   2504 C CB  E ILE   B 2 156 ? -14.600 -7.871  -17.754 0.18 35.71  ? 165 ILE   B CB  1 
ATOM   2505 C CG1 A ILE   B 2 156 ? -13.772 -7.797  -19.088 0.22 36.50  ? 165 ILE   B CG1 1 
ATOM   2506 C CG1 B ILE   B 2 156 ? -13.772 -7.795  -19.086 0.23 36.50  ? 165 ILE   B CG1 1 
ATOM   2507 C CG1 C ILE   B 2 156 ? -13.866 -7.895  -19.103 0.18 36.44  ? 165 ILE   B CG1 1 
ATOM   2508 C CG1 D ILE   B 2 156 ? -13.866 -7.894  -19.103 0.18 36.44  ? 165 ILE   B CG1 1 
ATOM   2509 C CG1 E ILE   B 2 156 ? -13.866 -7.895  -19.103 0.18 36.44  ? 165 ILE   B CG1 1 
ATOM   2510 C CG2 A ILE   B 2 156 ? -15.934 -7.991  -17.777 0.22 35.71  ? 165 ILE   B CG2 1 
ATOM   2511 C CG2 B ILE   B 2 156 ? -15.933 -7.992  -17.773 0.23 35.71  ? 165 ILE   B CG2 1 
ATOM   2512 C CG2 C ILE   B 2 156 ? -16.113 -7.764  -17.935 0.18 35.63  ? 165 ILE   B CG2 1 
ATOM   2513 C CG2 D ILE   B 2 156 ? -16.113 -7.765  -17.935 0.18 35.64  ? 165 ILE   B CG2 1 
ATOM   2514 C CG2 E ILE   B 2 156 ? -16.113 -7.764  -17.935 0.18 35.63  ? 165 ILE   B CG2 1 
ATOM   2515 C CD1 A ILE   B 2 156 ? -14.118 -8.948  -20.008 0.22 37.29  ? 165 ILE   B CD1 1 
ATOM   2516 C CD1 B ILE   B 2 156 ? -14.118 -8.947  -20.006 0.23 37.29  ? 165 ILE   B CD1 1 
ATOM   2517 C CD1 C ILE   B 2 156 ? -14.224 -9.067  -19.991 0.18 37.20  ? 165 ILE   B CD1 1 
ATOM   2518 C CD1 D ILE   B 2 156 ? -14.224 -9.066  -19.991 0.18 37.20  ? 165 ILE   B CD1 1 
ATOM   2519 C CD1 E ILE   B 2 156 ? -14.224 -9.067  -19.991 0.18 37.20  ? 165 ILE   B CD1 1 
ATOM   2520 N N   A THR   B 2 157 ? -14.995 -5.613  -14.805 0.22 33.58  ? 166 THR   B N   1 
ATOM   2521 N N   B THR   B 2 157 ? -14.999 -5.611  -14.805 0.23 33.57  ? 166 THR   B N   1 
ATOM   2522 N N   C THR   B 2 157 ? -14.903 -5.648  -14.801 0.18 33.65  ? 166 THR   B N   1 
ATOM   2523 N N   D THR   B 2 157 ? -14.903 -5.648  -14.801 0.18 33.65  ? 166 THR   B N   1 
ATOM   2524 N N   E THR   B 2 157 ? -14.903 -5.648  -14.801 0.18 33.65  ? 166 THR   B N   1 
ATOM   2525 C CA  A THR   B 2 157 ? -15.361 -5.535  -13.334 0.22 33.08  ? 166 THR   B CA  1 
ATOM   2526 C CA  B THR   B 2 157 ? -15.361 -5.534  -13.332 0.23 33.07  ? 166 THR   B CA  1 
ATOM   2527 C CA  C THR   B 2 157 ? -15.332 -5.579  -13.349 0.18 33.15  ? 166 THR   B CA  1 
ATOM   2528 C CA  D THR   B 2 157 ? -15.332 -5.579  -13.348 0.18 33.15  ? 166 THR   B CA  1 
ATOM   2529 C CA  E THR   B 2 157 ? -15.332 -5.579  -13.349 0.18 33.15  ? 166 THR   B CA  1 
ATOM   2530 C C   A THR   B 2 157 ? -16.943 -5.651  -13.084 0.22 33.01  ? 166 THR   B C   1 
ATOM   2531 C C   B THR   B 2 157 ? -16.944 -5.650  -13.080 0.23 33.01  ? 166 THR   B C   1 
ATOM   2532 C C   C THR   B 2 157 ? -16.925 -5.705  -13.194 0.18 33.08  ? 166 THR   B C   1 
ATOM   2533 C C   D THR   B 2 157 ? -16.925 -5.705  -13.193 0.18 33.08  ? 166 THR   B C   1 
ATOM   2534 C C   E THR   B 2 157 ? -16.925 -5.705  -13.194 0.18 33.08  ? 166 THR   B C   1 
ATOM   2535 O O   A THR   B 2 157 ? -17.718 -4.652  -13.360 0.22 33.00  ? 166 THR   B O   1 
ATOM   2536 O O   B THR   B 2 157 ? -17.718 -4.642  -13.360 0.23 33.00  ? 166 THR   B O   1 
ATOM   2537 O O   C THR   B 2 157 ? -17.691 -4.755  -13.401 0.18 33.04  ? 166 THR   B O   1 
ATOM   2538 O O   D THR   B 2 157 ? -17.691 -4.753  -13.401 0.18 33.04  ? 166 THR   B O   1 
ATOM   2539 O O   E THR   B 2 157 ? -17.691 -4.755  -13.401 0.18 33.04  ? 166 THR   B O   1 
ATOM   2540 C CB  A THR   B 2 157 ? -14.962 -4.191  -12.715 0.22 32.65  ? 166 THR   B CB  1 
ATOM   2541 C CB  B THR   B 2 157 ? -14.963 -4.188  -12.715 0.23 32.64  ? 166 THR   B CB  1 
ATOM   2542 C CB  C THR   B 2 157 ? -14.870 -4.256  -12.728 0.18 32.73  ? 166 THR   B CB  1 
ATOM   2543 C CB  D THR   B 2 157 ? -14.870 -4.256  -12.728 0.18 32.73  ? 166 THR   B CB  1 
ATOM   2544 C CB  E THR   B 2 157 ? -14.870 -4.256  -12.728 0.18 32.73  ? 166 THR   B CB  1 
ATOM   2545 O OG1 A THR   B 2 157 ? -13.520 -3.976  -12.818 0.22 32.85  ? 166 THR   B OG1 1 
ATOM   2546 O OG1 B THR   B 2 157 ? -13.520 -3.962  -12.819 0.23 32.85  ? 166 THR   B OG1 1 
ATOM   2547 O OG1 C THR   B 2 157 ? -13.425 -4.142  -12.887 0.18 32.97  ? 166 THR   B OG1 1 
ATOM   2548 O OG1 D THR   B 2 157 ? -13.425 -4.142  -12.887 0.18 32.97  ? 166 THR   B OG1 1 
ATOM   2549 O OG1 E THR   B 2 157 ? -13.425 -4.142  -12.887 0.18 32.97  ? 166 THR   B OG1 1 
ATOM   2550 C CG2 A THR   B 2 157 ? -15.464 -4.109  -11.287 0.22 32.19  ? 166 THR   B CG2 1 
ATOM   2551 C CG2 B THR   B 2 157 ? -15.465 -4.108  -11.286 0.23 32.19  ? 166 THR   B CG2 1 
ATOM   2552 C CG2 C THR   B 2 157 ? -15.336 -4.141  -11.290 0.18 32.28  ? 166 THR   B CG2 1 
ATOM   2553 C CG2 D THR   B 2 157 ? -15.336 -4.141  -11.290 0.18 32.28  ? 166 THR   B CG2 1 
ATOM   2554 C CG2 E THR   B 2 157 ? -15.336 -4.141  -11.290 0.18 32.28  ? 166 THR   B CG2 1 
ATOM   2555 N N   . GLN   B 2 158 ? -17.265 -6.921  -12.562 1.00 33.09  ? 167 GLN   B N   1 
ATOM   2556 C CA  . GLN   B 2 158 ? -18.711 -7.237  -12.343 1.00 33.32  ? 167 GLN   B CA  1 
ATOM   2557 C C   . GLN   B 2 158 ? -19.049 -7.253  -10.835 1.00 34.62  ? 167 GLN   B C   1 
ATOM   2558 O O   . GLN   B 2 158 ? -18.187 -7.693  -9.987  1.00 34.13  ? 167 GLN   B O   1 
ATOM   2559 C CB  . GLN   B 2 158 ? -19.052 -8.583  -12.956 1.00 33.69  ? 167 GLN   B CB  1 
ATOM   2560 C CG  . GLN   B 2 158 ? -20.526 -8.920  -13.077 1.00 33.48  ? 167 GLN   B CG  1 
ATOM   2561 C CD  . GLN   B 2 158 ? -21.392 -7.806  -13.650 1.00 33.08  ? 167 GLN   B CD  1 
ATOM   2562 O OE1 . GLN   B 2 158 ? -21.533 -6.719  -13.087 1.00 31.98  ? 167 GLN   B OE1 1 
ATOM   2563 N NE2 . GLN   B 2 158 ? -21.977 -8.095  -14.804 1.00 33.02  ? 167 GLN   B NE2 1 
ATOM   2564 N N   . GLY   B 2 159 ? -20.268 -6.841  -10.502 1.00 36.17  ? 168 GLY   B N   1 
ATOM   2565 C CA  . GLY   B 2 159 ? -20.740 -6.936  -9.106  1.00 39.15  ? 168 GLY   B CA  1 
ATOM   2566 C C   . GLY   B 2 159 ? -21.321 -8.310  -8.880  1.00 41.92  ? 168 GLY   B C   1 
ATOM   2567 O O   . GLY   B 2 159 ? -21.020 -9.241  -9.618  1.00 42.99  ? 168 GLY   B O   1 
ATOM   2568 N N   A LYS   B 2 160 ? -22.115 -8.438  -7.813  0.17 42.68  ? 169 LYS   B N   1 
ATOM   2569 N N   B LYS   B 2 160 ? -22.115 -8.438  -7.813  0.17 42.68  ? 169 LYS   B N   1 
ATOM   2570 N N   C LYS   B 2 160 ? -22.146 -8.438  -7.840  0.22 42.95  ? 169 LYS   B N   1 
ATOM   2571 N N   D LYS   B 2 160 ? -22.146 -8.438  -7.840  0.22 42.95  ? 169 LYS   B N   1 
ATOM   2572 N N   E LYS   B 2 160 ? -22.146 -8.438  -7.840  0.22 42.95  ? 169 LYS   B N   1 
ATOM   2573 C CA  A LYS   B 2 160 ? -22.932 -9.640  -7.498  0.17 43.90  ? 169 LYS   B CA  1 
ATOM   2574 C CA  B LYS   B 2 160 ? -22.932 -9.640  -7.498  0.17 43.90  ? 169 LYS   B CA  1 
ATOM   2575 C CA  C LYS   B 2 160 ? -22.930 -9.665  -7.540  0.22 44.29  ? 169 LYS   B CA  1 
ATOM   2576 C CA  D LYS   B 2 160 ? -22.930 -9.665  -7.540  0.22 44.29  ? 169 LYS   B CA  1 
ATOM   2577 C CA  E LYS   B 2 160 ? -22.930 -9.665  -7.540  0.22 44.29  ? 169 LYS   B CA  1 
ATOM   2578 C C   A LYS   B 2 160 ? -24.375 -9.191  -7.251  0.17 44.72  ? 169 LYS   B C   1 
ATOM   2579 C C   B LYS   B 2 160 ? -24.375 -9.191  -7.251  0.17 44.72  ? 169 LYS   B C   1 
ATOM   2580 C C   C LYS   B 2 160 ? -24.363 -9.242  -7.202  0.22 44.97  ? 169 LYS   B C   1 
ATOM   2581 C C   D LYS   B 2 160 ? -24.363 -9.242  -7.202  0.22 44.97  ? 169 LYS   B C   1 
ATOM   2582 C C   E LYS   B 2 160 ? -24.363 -9.242  -7.202  0.22 44.97  ? 169 LYS   B C   1 
ATOM   2583 O O   A LYS   B 2 160 ? -24.560 -8.128  -6.617  0.17 43.97  ? 169 LYS   B O   1 
ATOM   2584 O O   B LYS   B 2 160 ? -24.560 -8.128  -6.617  0.17 43.97  ? 169 LYS   B O   1 
ATOM   2585 O O   C LYS   B 2 160 ? -24.527 -8.247  -6.463  0.22 44.14  ? 169 LYS   B O   1 
ATOM   2586 O O   D LYS   B 2 160 ? -24.527 -8.247  -6.463  0.22 44.14  ? 169 LYS   B O   1 
ATOM   2587 O O   E LYS   B 2 160 ? -24.527 -8.247  -6.463  0.22 44.14  ? 169 LYS   B O   1 
ATOM   2588 C CB  A LYS   B 2 160 ? -22.389 -10.388 -6.276  0.17 44.05  ? 169 LYS   B CB  1 
ATOM   2589 C CB  B LYS   B 2 160 ? -22.389 -10.388 -6.276  0.17 44.05  ? 169 LYS   B CB  1 
ATOM   2590 C CB  C LYS   B 2 160 ? -22.266 -10.466 -6.415  0.22 44.77  ? 169 LYS   B CB  1 
ATOM   2591 C CB  D LYS   B 2 160 ? -22.266 -10.466 -6.415  0.22 44.77  ? 169 LYS   B CB  1 
ATOM   2592 C CB  E LYS   B 2 160 ? -22.266 -10.466 -6.415  0.22 44.77  ? 169 LYS   B CB  1 
ATOM   2593 C CG  A LYS   B 2 160 ? -23.087 -11.711 -5.994  0.17 44.70  ? 169 LYS   B CG  1 
ATOM   2594 C CG  B LYS   B 2 160 ? -23.087 -11.711 -5.994  0.17 44.70  ? 169 LYS   B CG  1 
ATOM   2595 C CG  C LYS   B 2 160 ? -21.022 -11.245 -6.827  0.22 45.20  ? 169 LYS   B CG  1 
ATOM   2596 C CG  D LYS   B 2 160 ? -21.022 -11.245 -6.827  0.22 45.20  ? 169 LYS   B CG  1 
ATOM   2597 C CG  E LYS   B 2 160 ? -21.022 -11.245 -6.827  0.22 45.20  ? 169 LYS   B CG  1 
ATOM   2598 C CD  A LYS   B 2 160 ? -22.632 -12.409 -4.735  0.17 44.87  ? 169 LYS   B CD  1 
ATOM   2599 C CD  B LYS   B 2 160 ? -22.632 -12.409 -4.735  0.17 44.87  ? 169 LYS   B CD  1 
ATOM   2600 C CD  C LYS   B 2 160 ? -20.162 -11.660 -5.653  0.22 45.51  ? 169 LYS   B CD  1 
ATOM   2601 C CD  D LYS   B 2 160 ? -20.162 -11.660 -5.653  0.22 45.51  ? 169 LYS   B CD  1 
ATOM   2602 C CD  E LYS   B 2 160 ? -20.162 -11.660 -5.653  0.22 45.51  ? 169 LYS   B CD  1 
ATOM   2603 C CE  A LYS   B 2 160 ? -23.496 -13.609 -4.411  0.17 45.58  ? 169 LYS   B CE  1 
ATOM   2604 C CE  B LYS   B 2 160 ? -23.496 -13.609 -4.411  0.17 45.58  ? 169 LYS   B CE  1 
ATOM   2605 C CE  C LYS   B 2 160 ? -19.378 -10.504 -5.074  0.22 45.03  ? 169 LYS   B CE  1 
ATOM   2606 C CE  D LYS   B 2 160 ? -19.378 -10.504 -5.074  0.22 45.03  ? 169 LYS   B CE  1 
ATOM   2607 C CE  E LYS   B 2 160 ? -19.378 -10.504 -5.074  0.22 45.03  ? 169 LYS   B CE  1 
ATOM   2608 N NZ  A LYS   B 2 160 ? -23.215 -14.134 -3.056  0.17 45.69  ? 169 LYS   B NZ  1 
ATOM   2609 N NZ  B LYS   B 2 160 ? -23.215 -14.134 -3.056  0.17 45.69  ? 169 LYS   B NZ  1 
ATOM   2610 N NZ  C LYS   B 2 160 ? -18.509 -9.878  -6.102  0.22 44.95  ? 169 LYS   B NZ  1 
ATOM   2611 N NZ  D LYS   B 2 160 ? -18.509 -9.878  -6.102  0.22 44.95  ? 169 LYS   B NZ  1 
ATOM   2612 N NZ  E LYS   B 2 160 ? -18.509 -9.878  -6.102  0.22 44.95  ? 169 LYS   B NZ  1 
ATOM   2613 N N   . ARG   B 2 161 ? -25.349 -9.962  -7.748  1.00 45.94  ? 170 ARG   B N   1 
ATOM   2614 C CA  . ARG   B 2 161 ? -26.800 -9.689  -7.543  1.00 49.12  ? 170 ARG   B CA  1 
ATOM   2615 C C   . ARG   B 2 161 ? -27.264 -10.669 -6.450  1.00 54.32  ? 170 ARG   B C   1 
ATOM   2616 O O   . ARG   B 2 161 ? -27.072 -11.890 -6.647  1.00 54.64  ? 170 ARG   B O   1 
ATOM   2617 C CB  . ARG   B 2 161 ? -27.481 -9.819  -8.917  1.00 51.14  ? 170 ARG   B CB  1 
ATOM   2618 C CG  . ARG   B 2 161 ? -28.952 -9.432  -8.977  1.00 52.07  ? 170 ARG   B CG  1 
ATOM   2619 C CD  . ARG   B 2 161 ? -29.618 -9.824  -10.292 1.00 53.38  ? 170 ARG   B CD  1 
ATOM   2620 N NE  . ARG   B 2 161 ? -31.056 -9.570  -10.198 1.00 55.39  ? 170 ARG   B NE  1 
ATOM   2621 C CZ  . ARG   B 2 161 ? -31.755 -8.687  -10.918 1.00 55.29  ? 170 ARG   B CZ  1 
ATOM   2622 N NH1 . ARG   B 2 161 ? -31.172 -7.950  -11.851 1.00 54.76  ? 170 ARG   B NH1 1 
ATOM   2623 N NH2 . ARG   B 2 161 ? -33.054 -8.557  -10.700 1.00 55.80  ? 170 ARG   B NH2 1 
ATOM   2624 N N   . GLU   B 2 162 ? -27.731 -10.169 -5.296  1.00 59.64  ? 171 GLU   B N   1 
ATOM   2625 C CA  . GLU   B 2 162 ? -28.234 -11.017 -4.174  1.00 65.09  ? 171 GLU   B CA  1 
ATOM   2626 C C   . GLU   B 2 162 ? -29.706 -11.369 -4.431  1.00 67.68  ? 171 GLU   B C   1 
ATOM   2627 O O   . GLU   B 2 162 ? -30.087 -12.552 -4.530  1.00 71.36  ? 171 GLU   B O   1 
ATOM   2628 C CB  . GLU   B 2 162 ? -28.057 -10.310 -2.827  1.00 68.76  ? 171 GLU   B CB  1 
ATOM   2629 C CG  . GLU   B 2 162 ? -26.616 -9.919  -2.508  1.00 71.20  ? 171 GLU   B CG  1 
ATOM   2630 C CD  . GLU   B 2 162 ? -25.751 -11.008 -1.882  1.00 74.87  ? 171 GLU   B CD  1 
ATOM   2631 O OE1 . GLU   B 2 162 ? -25.914 -11.275 -0.672  1.00 74.36  ? 171 GLU   B OE1 1 
ATOM   2632 O OE2 . GLU   B 2 162 ? -24.905 -11.587 -2.605  1.00 79.42  ? 171 GLU   B OE2 1 
HETATM 2633 S S   C DMS   C 3 .   ? -21.425 15.582  -23.612 0.33 91.27  ? 101 DMS   A S   1 
HETATM 2634 S S   D DMS   C 3 .   ? -21.425 15.582  -23.612 0.33 91.27  ? 101 DMS   A S   1 
HETATM 2635 S S   E DMS   C 3 .   ? -21.425 15.582  -23.612 0.33 91.27  ? 101 DMS   A S   1 
HETATM 2636 O O   C DMS   C 3 .   ? -20.992 16.219  -24.903 0.33 91.59  ? 101 DMS   A O   1 
HETATM 2637 O O   D DMS   C 3 .   ? -20.992 16.219  -24.903 0.33 91.59  ? 101 DMS   A O   1 
HETATM 2638 O O   E DMS   C 3 .   ? -20.992 16.219  -24.903 0.33 91.59  ? 101 DMS   A O   1 
HETATM 2639 C C1  C DMS   C 3 .   ? -23.160 15.251  -23.791 0.33 90.03  ? 101 DMS   A C1  1 
HETATM 2640 C C1  D DMS   C 3 .   ? -23.160 15.251  -23.791 0.33 90.03  ? 101 DMS   A C1  1 
HETATM 2641 C C1  E DMS   C 3 .   ? -23.160 15.251  -23.791 0.33 90.03  ? 101 DMS   A C1  1 
HETATM 2642 C C2  C DMS   C 3 .   ? -21.551 16.900  -22.428 0.33 90.58  ? 101 DMS   A C2  1 
HETATM 2643 C C2  D DMS   C 3 .   ? -21.551 16.900  -22.428 0.33 90.58  ? 101 DMS   A C2  1 
HETATM 2644 C C2  E DMS   C 3 .   ? -21.551 16.900  -22.428 0.33 90.58  ? 101 DMS   A C2  1 
HETATM 2645 S S   A DMS   D 3 .   ? -8.218  5.594   -17.866 0.22 59.29  ? 201 DMS   B S   1 
HETATM 2646 S S   B DMS   D 3 .   ? -8.216  5.593   -17.867 0.23 59.30  ? 201 DMS   B S   1 
HETATM 2647 O O   A DMS   D 3 .   ? -6.862  5.490   -18.522 0.22 60.08  ? 201 DMS   B O   1 
HETATM 2648 O O   B DMS   D 3 .   ? -6.858  5.486   -18.522 0.23 60.09  ? 201 DMS   B O   1 
HETATM 2649 C C1  A DMS   D 3 .   ? -7.982  5.208   -16.149 0.22 58.78  ? 201 DMS   B C1  1 
HETATM 2650 C C1  B DMS   D 3 .   ? -7.982  5.208   -16.148 0.23 58.79  ? 201 DMS   B C1  1 
HETATM 2651 C C2  A DMS   D 3 .   ? -9.100  4.122   -18.319 0.22 58.87  ? 201 DMS   B C2  1 
HETATM 2652 C C2  B DMS   D 3 .   ? -9.100  4.122   -18.318 0.23 58.88  ? 201 DMS   B C2  1 
HETATM 2653 S S   A DMS   E 3 .   ? -18.304 11.257  -0.221  0.23 128.17 ? 202 DMS   B S   1 
HETATM 2654 S S   B DMS   E 3 .   ? -18.304 11.257  -0.221  0.23 128.17 ? 202 DMS   B S   1 
HETATM 2655 O O   A DMS   E 3 .   ? -18.894 9.895   -0.465  0.23 127.66 ? 202 DMS   B O   1 
HETATM 2656 O O   B DMS   E 3 .   ? -18.894 9.895   -0.465  0.23 127.66 ? 202 DMS   B O   1 
HETATM 2657 C C1  A DMS   E 3 .   ? -19.648 12.406  -0.358  0.23 127.92 ? 202 DMS   B C1  1 
HETATM 2658 C C1  B DMS   E 3 .   ? -19.648 12.406  -0.358  0.23 127.92 ? 202 DMS   B C1  1 
HETATM 2659 C C2  A DMS   E 3 .   ? -17.452 11.710  -1.712  0.23 127.31 ? 202 DMS   B C2  1 
HETATM 2660 C C2  B DMS   E 3 .   ? -17.452 11.710  -1.712  0.23 127.31 ? 202 DMS   B C2  1 
HETATM 2661 S S   A DMS   F 3 .   ? -7.108  4.959   -12.694 0.22 120.52 ? 203 DMS   B S   1 
HETATM 2662 S S   B DMS   F 3 .   ? -7.108  4.959   -12.694 0.23 120.57 ? 203 DMS   B S   1 
HETATM 2663 O O   A DMS   F 3 .   ? -6.889  3.584   -13.260 0.22 119.40 ? 203 DMS   B O   1 
HETATM 2664 O O   B DMS   F 3 .   ? -6.889  3.584   -13.261 0.23 119.40 ? 203 DMS   B O   1 
HETATM 2665 C C1  A DMS   F 3 .   ? -8.241  4.755   -11.345 0.22 118.95 ? 203 DMS   B C1  1 
HETATM 2666 C C1  B DMS   F 3 .   ? -8.241  4.754   -11.345 0.23 118.95 ? 203 DMS   B C1  1 
HETATM 2667 C C2  A DMS   F 3 .   ? -5.660  5.333   -11.742 0.22 119.97 ? 203 DMS   B C2  1 
HETATM 2668 C C2  B DMS   F 3 .   ? -5.660  5.333   -11.742 0.23 119.95 ? 203 DMS   B C2  1 
HETATM 2669 N N1  C A1BGY G 4 .   ? -8.676  4.198   -9.153  0.18 35.01  ? 204 A1BGY B N1  1 
HETATM 2670 N N1  D A1BGY G 4 .   ? -8.677  4.198   -9.153  0.18 35.01  ? 204 A1BGY B N1  1 
HETATM 2671 N N1  E A1BGY G 4 .   ? -8.676  4.198   -9.153  0.18 35.01  ? 204 A1BGY B N1  1 
HETATM 2672 N N3  C A1BGY G 4 .   ? -7.078  4.948   -17.721 0.18 38.84  ? 204 A1BGY B N3  1 
HETATM 2673 N N3  D A1BGY G 4 .   ? -7.078  4.948   -17.721 0.18 38.84  ? 204 A1BGY B N3  1 
HETATM 2674 N N3  E A1BGY G 4 .   ? -7.078  4.948   -17.721 0.18 38.84  ? 204 A1BGY B N3  1 
HETATM 2675 C C4  C A1BGY G 4 .   ? -8.568  3.124   -9.940  0.18 35.11  ? 204 A1BGY B C4  1 
HETATM 2676 C C4  D A1BGY G 4 .   ? -8.567  3.124   -9.940  0.18 35.11  ? 204 A1BGY B C4  1 
HETATM 2677 C C4  E A1BGY G 4 .   ? -8.568  3.124   -9.940  0.18 35.11  ? 204 A1BGY B C4  1 
HETATM 2678 C C5  C A1BGY G 4 .   ? -8.500  3.182   -11.306 0.18 35.51  ? 204 A1BGY B C5  1 
HETATM 2679 C C5  D A1BGY G 4 .   ? -8.500  3.182   -11.306 0.18 35.51  ? 204 A1BGY B C5  1 
HETATM 2680 C C5  E A1BGY G 4 .   ? -8.500  3.182   -11.306 0.18 35.51  ? 204 A1BGY B C5  1 
HETATM 2681 C C6  C A1BGY G 4 .   ? -8.534  4.423   -11.920 0.18 35.89  ? 204 A1BGY B C6  1 
HETATM 2682 C C6  D A1BGY G 4 .   ? -8.534  4.423   -11.920 0.18 35.89  ? 204 A1BGY B C6  1 
HETATM 2683 C C6  E A1BGY G 4 .   ? -8.534  4.423   -11.920 0.18 35.89  ? 204 A1BGY B C6  1 
HETATM 2684 C C7  C A1BGY G 4 .   ? -7.481  5.119   -14.057 0.18 37.19  ? 204 A1BGY B C7  1 
HETATM 2685 C C7  D A1BGY G 4 .   ? -7.481  5.119   -14.057 0.18 37.19  ? 204 A1BGY B C7  1 
HETATM 2686 C C7  E A1BGY G 4 .   ? -7.481  5.119   -14.057 0.18 37.19  ? 204 A1BGY B C7  1 
HETATM 2687 C C8  C A1BGY G 4 .   ? -7.587  4.965   -15.514 0.18 37.74  ? 204 A1BGY B C8  1 
HETATM 2688 C C8  D A1BGY G 4 .   ? -7.587  4.965   -15.514 0.18 37.74  ? 204 A1BGY B C8  1 
HETATM 2689 C C8  E A1BGY G 4 .   ? -7.587  4.965   -15.514 0.18 37.74  ? 204 A1BGY B C8  1 
HETATM 2690 C C10 C A1BGY G 4 .   ? -8.401  4.581   -17.589 0.18 38.20  ? 204 A1BGY B C10 1 
HETATM 2691 C C10 D A1BGY G 4 .   ? -8.401  4.580   -17.589 0.18 38.20  ? 204 A1BGY B C10 1 
HETATM 2692 C C10 E A1BGY G 4 .   ? -8.401  4.581   -17.589 0.18 38.20  ? 204 A1BGY B C10 1 
HETATM 2693 C C13 C A1BGY G 4 .   ? -9.783  2.894   -18.910 0.18 38.13  ? 204 A1BGY B C13 1 
HETATM 2694 C C13 D A1BGY G 4 .   ? -9.783  2.894   -18.910 0.18 38.13  ? 204 A1BGY B C13 1 
HETATM 2695 C C13 E A1BGY G 4 .   ? -9.783  2.894   -18.910 0.18 38.13  ? 204 A1BGY B C13 1 
HETATM 2696 C C15 C A1BGY G 4 .   ? -6.562  5.192   -16.424 0.18 38.54  ? 204 A1BGY B C15 1 
HETATM 2697 C C15 D A1BGY G 4 .   ? -6.563  5.191   -16.424 0.18 38.54  ? 204 A1BGY B C15 1 
HETATM 2698 C C15 E A1BGY G 4 .   ? -6.562  5.192   -16.424 0.18 38.54  ? 204 A1BGY B C15 1 
HETATM 2699 C C1  C A1BGY G 4 .   ? -8.687  6.955   -11.714 0.18 36.23  ? 204 A1BGY B C1  1 
HETATM 2700 C C1  D A1BGY G 4 .   ? -8.687  6.955   -11.714 0.18 36.23  ? 204 A1BGY B C1  1 
HETATM 2701 C C1  E A1BGY G 4 .   ? -8.687  6.955   -11.714 0.18 36.23  ? 204 A1BGY B C1  1 
HETATM 2702 C C2  C A1BGY G 4 .   ? -8.643  5.568   -11.124 0.18 35.78  ? 204 A1BGY B C2  1 
HETATM 2703 C C2  D A1BGY G 4 .   ? -8.643  5.568   -11.124 0.18 35.78  ? 204 A1BGY B C2  1 
HETATM 2704 C C2  E A1BGY G 4 .   ? -8.643  5.568   -11.124 0.18 35.78  ? 204 A1BGY B C2  1 
HETATM 2705 C C3  C A1BGY G 4 .   ? -8.709  5.401   -9.749  0.18 35.37  ? 204 A1BGY B C3  1 
HETATM 2706 C C3  D A1BGY G 4 .   ? -8.709  5.401   -9.749  0.18 35.37  ? 204 A1BGY B C3  1 
HETATM 2707 C C3  E A1BGY G 4 .   ? -8.709  5.401   -9.749  0.18 35.37  ? 204 A1BGY B C3  1 
HETATM 2708 N N2  C A1BGY G 4 .   ? -8.464  4.523   -13.330 0.18 36.43  ? 204 A1BGY B N2  1 
HETATM 2709 N N2  D A1BGY G 4 .   ? -8.465  4.522   -13.330 0.18 36.43  ? 204 A1BGY B N2  1 
HETATM 2710 N N2  E A1BGY G 4 .   ? -8.464  4.523   -13.330 0.18 36.43  ? 204 A1BGY B N2  1 
HETATM 2711 O O1  C A1BGY G 4 .   ? -6.576  5.769   -13.546 0.18 37.59  ? 204 A1BGY B O1  1 
HETATM 2712 O O1  D A1BGY G 4 .   ? -6.576  5.768   -13.546 0.18 37.59  ? 204 A1BGY B O1  1 
HETATM 2713 O O1  E A1BGY G 4 .   ? -6.576  5.769   -13.546 0.18 37.59  ? 204 A1BGY B O1  1 
HETATM 2714 C C9  C A1BGY G 4 .   ? -8.726  4.587   -16.255 0.18 37.52  ? 204 A1BGY B C9  1 
HETATM 2715 C C9  D A1BGY G 4 .   ? -8.727  4.586   -16.255 0.18 37.52  ? 204 A1BGY B C9  1 
HETATM 2716 C C9  E A1BGY G 4 .   ? -8.726  4.587   -16.255 0.18 37.52  ? 204 A1BGY B C9  1 
HETATM 2717 C C11 C A1BGY G 4 .   ? -9.186  4.259   -18.781 0.18 38.46  ? 204 A1BGY B C11 1 
HETATM 2718 C C11 D A1BGY G 4 .   ? -9.187  4.258   -18.781 0.18 38.46  ? 204 A1BGY B C11 1 
HETATM 2719 C C11 E A1BGY G 4 .   ? -9.186  4.259   -18.781 0.18 38.46  ? 204 A1BGY B C11 1 
HETATM 2720 C C12 C A1BGY G 4 .   ? -10.665 4.056   -18.677 0.18 37.88  ? 204 A1BGY B C12 1 
HETATM 2721 C C12 D A1BGY G 4 .   ? -10.665 4.056   -18.677 0.18 37.88  ? 204 A1BGY B C12 1 
HETATM 2722 C C12 E A1BGY G 4 .   ? -10.665 4.056   -18.677 0.18 37.88  ? 204 A1BGY B C12 1 
HETATM 2723 C C14 C A1BGY G 4 .   ? -6.342  5.062   -18.980 0.18 39.72  ? 204 A1BGY B C14 1 
HETATM 2724 C C14 D A1BGY G 4 .   ? -6.342  5.061   -18.980 0.18 39.72  ? 204 A1BGY B C14 1 
HETATM 2725 C C14 E A1BGY G 4 .   ? -6.342  5.062   -18.980 0.18 39.72  ? 204 A1BGY B C14 1 
HETATM 2726 C C16 C A1BGY G 4 .   ? -5.147  5.607   -16.222 0.18 39.21  ? 204 A1BGY B C16 1 
HETATM 2727 C C16 D A1BGY G 4 .   ? -5.147  5.607   -16.222 0.18 39.21  ? 204 A1BGY B C16 1 
HETATM 2728 C C16 E A1BGY G 4 .   ? -5.147  5.607   -16.222 0.18 39.21  ? 204 A1BGY B C16 1 
HETATM 2729 S S   C SO4   H 5 .   ? -5.435  9.392   -17.027 0.18 65.88  ? 205 SO4   B S   1 
HETATM 2730 S S   D SO4   H 5 .   ? -5.435  9.391   -17.027 0.18 65.88  ? 205 SO4   B S   1 
HETATM 2731 S S   E SO4   H 5 .   ? -5.435  9.392   -17.027 0.18 65.88  ? 205 SO4   B S   1 
HETATM 2732 O O1  C SO4   H 5 .   ? -5.110  10.733  -16.623 0.18 66.78  ? 205 SO4   B O1  1 
HETATM 2733 O O1  D SO4   H 5 .   ? -5.109  10.733  -16.624 0.18 66.79  ? 205 SO4   B O1  1 
HETATM 2734 O O1  E SO4   H 5 .   ? -5.110  10.733  -16.623 0.18 66.78  ? 205 SO4   B O1  1 
HETATM 2735 O O2  C SO4   H 5 .   ? -6.343  9.432   -18.144 0.18 66.49  ? 205 SO4   B O2  1 
HETATM 2736 O O2  D SO4   H 5 .   ? -6.344  9.430   -18.144 0.18 66.49  ? 205 SO4   B O2  1 
HETATM 2737 O O2  E SO4   H 5 .   ? -6.343  9.432   -18.144 0.18 66.49  ? 205 SO4   B O2  1 
HETATM 2738 O O3  C SO4   H 5 .   ? -4.232  8.704   -17.413 0.18 66.51  ? 205 SO4   B O3  1 
HETATM 2739 O O3  D SO4   H 5 .   ? -4.234  8.702   -17.413 0.18 66.51  ? 205 SO4   B O3  1 
HETATM 2740 O O3  E SO4   H 5 .   ? -4.232  8.704   -17.413 0.18 66.51  ? 205 SO4   B O3  1 
HETATM 2741 O O4  C SO4   H 5 .   ? -6.055  8.705   -15.925 0.18 65.29  ? 205 SO4   B O4  1 
HETATM 2742 O O4  D SO4   H 5 .   ? -6.054  8.705   -15.925 0.18 65.29  ? 205 SO4   B O4  1 
HETATM 2743 O O4  E SO4   H 5 .   ? -6.055  8.705   -15.925 0.18 65.29  ? 205 SO4   B O4  1 
HETATM 2744 S S   C SO4   I 5 .   ? -18.717 11.479  -0.423  0.33 106.85 ? 206 SO4   B S   1 
HETATM 2745 S S   D SO4   I 5 .   ? -18.717 11.479  -0.423  0.33 106.85 ? 206 SO4   B S   1 
HETATM 2746 S S   E SO4   I 5 .   ? -18.717 11.479  -0.423  0.33 106.85 ? 206 SO4   B S   1 
HETATM 2747 O O1  C SO4   I 5 .   ? -17.582 11.733  -1.273  0.33 106.27 ? 206 SO4   B O1  1 
HETATM 2748 O O1  D SO4   I 5 .   ? -17.582 11.733  -1.273  0.33 106.27 ? 206 SO4   B O1  1 
HETATM 2749 O O1  E SO4   I 5 .   ? -17.582 11.733  -1.273  0.33 106.27 ? 206 SO4   B O1  1 
HETATM 2750 O O2  C SO4   I 5 .   ? -19.018 10.070  -0.423  0.33 106.81 ? 206 SO4   B O2  1 
HETATM 2751 O O2  D SO4   I 5 .   ? -19.018 10.070  -0.423  0.33 106.81 ? 206 SO4   B O2  1 
HETATM 2752 O O2  E SO4   I 5 .   ? -19.018 10.070  -0.423  0.33 106.81 ? 206 SO4   B O2  1 
HETATM 2753 O O3  C SO4   I 5 .   ? -18.418 11.901  0.919   0.33 107.43 ? 206 SO4   B O3  1 
HETATM 2754 O O3  D SO4   I 5 .   ? -18.418 11.901  0.919   0.33 107.43 ? 206 SO4   B O3  1 
HETATM 2755 O O3  E SO4   I 5 .   ? -18.418 11.901  0.919   0.33 107.43 ? 206 SO4   B O3  1 
HETATM 2756 O O4  C SO4   I 5 .   ? -19.851 12.215  -0.911  0.33 106.22 ? 206 SO4   B O4  1 
HETATM 2757 O O4  D SO4   I 5 .   ? -19.851 12.215  -0.911  0.33 106.22 ? 206 SO4   B O4  1 
HETATM 2758 O O4  E SO4   I 5 .   ? -19.851 12.215  -0.911  0.33 106.22 ? 206 SO4   B O4  1 
HETATM 2759 S S   C DMS   J 3 .   ? -21.009 13.583  -33.442 0.33 106.55 ? 207 DMS   B S   1 
HETATM 2760 S S   D DMS   J 3 .   ? -21.009 13.583  -33.442 0.33 106.55 ? 207 DMS   B S   1 
HETATM 2761 S S   E DMS   J 3 .   ? -21.009 13.583  -33.442 0.33 106.55 ? 207 DMS   B S   1 
HETATM 2762 O O   C DMS   J 3 .   ? -20.596 14.913  -32.886 0.33 106.81 ? 207 DMS   B O   1 
HETATM 2763 O O   D DMS   J 3 .   ? -20.596 14.913  -32.886 0.33 106.81 ? 207 DMS   B O   1 
HETATM 2764 O O   E DMS   J 3 .   ? -20.596 14.913  -32.886 0.33 106.81 ? 207 DMS   B O   1 
HETATM 2765 C C1  C DMS   J 3 .   ? -19.568 12.549  -33.359 0.33 106.80 ? 207 DMS   B C1  1 
HETATM 2766 C C1  D DMS   J 3 .   ? -19.568 12.549  -33.359 0.33 106.80 ? 207 DMS   B C1  1 
HETATM 2767 C C1  E DMS   J 3 .   ? -19.568 12.549  -33.359 0.33 106.80 ? 207 DMS   B C1  1 
HETATM 2768 C C2  C DMS   J 3 .   ? -21.056 13.784  -35.201 0.33 107.62 ? 207 DMS   B C2  1 
HETATM 2769 C C2  D DMS   J 3 .   ? -21.056 13.784  -35.201 0.33 107.62 ? 207 DMS   B C2  1 
HETATM 2770 C C2  E DMS   J 3 .   ? -21.056 13.784  -35.201 0.33 107.62 ? 207 DMS   B C2  1 
HETATM 2771 O O   . HOH   K 6 .   ? -27.850 -5.893  -28.193 1.00 42.83  ? 201 HOH   A O   1 
HETATM 2772 O O   . HOH   K 6 .   ? -23.360 18.765  -19.556 1.00 44.10  ? 202 HOH   A O   1 
HETATM 2773 O O   A HOH   K 6 .   ? -29.121 -3.776  -22.715 0.22 42.37  ? 203 HOH   A O   1 
HETATM 2774 O O   B HOH   K 6 .   ? -29.118 -3.776  -22.712 0.23 42.37  ? 203 HOH   A O   1 
HETATM 2775 O O   . HOH   K 6 .   ? -3.986  -14.261 -25.481 1.00 43.27  ? 204 HOH   A O   1 
HETATM 2776 O O   A HOH   K 6 .   ? -0.620  -12.321 -23.271 0.22 30.43  ? 205 HOH   A O   1 
HETATM 2777 O O   B HOH   K 6 .   ? -0.610  -12.328 -23.303 0.23 30.48  ? 205 HOH   A O   1 
HETATM 2778 O O   . HOH   K 6 .   ? -2.340  -4.154  -6.315  1.00 46.16  ? 206 HOH   A O   1 
HETATM 2779 O O   C HOH   K 6 .   ? 3.286   -8.853  -14.425 0.33 61.56  ? 207 HOH   A O   1 
HETATM 2780 O O   D HOH   K 6 .   ? 3.286   -8.853  -14.425 0.33 61.56  ? 207 HOH   A O   1 
HETATM 2781 O O   E HOH   K 6 .   ? 3.286   -8.853  -14.425 0.33 61.56  ? 207 HOH   A O   1 
HETATM 2782 O O   . HOH   K 6 .   ? -28.940 15.630  -14.964 1.00 45.25  ? 208 HOH   A O   1 
HETATM 2783 O O   . HOH   K 6 .   ? -24.058 9.224   -27.563 1.00 36.96  ? 209 HOH   A O   1 
HETATM 2784 O O   A HOH   K 6 .   ? 6.708   -4.672  -17.269 0.50 62.58  ? 210 HOH   A O   1 
HETATM 2785 O O   B HOH   K 6 .   ? 6.708   -4.672  -17.269 0.50 62.58  ? 210 HOH   A O   1 
HETATM 2786 O O   . HOH   K 6 .   ? -2.893  -11.878 -7.104  1.00 36.97  ? 211 HOH   A O   1 
HETATM 2787 O O   A HOH   K 6 .   ? -8.643  3.216   -5.956  0.22 39.18  ? 212 HOH   A O   1 
HETATM 2788 O O   B HOH   K 6 .   ? -11.390 4.638   -5.723  0.23 50.03  ? 212 HOH   A O   1 
HETATM 2789 O O   . HOH   K 6 .   ? -5.328  2.208   -9.601  1.00 47.28  ? 213 HOH   A O   1 
HETATM 2790 O O   . HOH   K 6 .   ? -7.033  -9.207  -3.240  1.00 41.41  ? 214 HOH   A O   1 
HETATM 2791 O O   . HOH   K 6 .   ? -8.212  -1.907  6.872   1.00 46.18  ? 215 HOH   A O   1 
HETATM 2792 O O   . HOH   K 6 .   ? -26.394 -3.570  -35.248 1.00 51.22  ? 216 HOH   A O   1 
HETATM 2793 O O   . HOH   K 6 .   ? -3.420  -4.294  0.197   1.00 48.11  ? 217 HOH   A O   1 
HETATM 2794 O O   . HOH   K 6 .   ? -4.520  -10.251 -5.564  1.00 39.12  ? 218 HOH   A O   1 
HETATM 2795 O O   . HOH   K 6 .   ? -23.031 -9.575  -34.558 1.00 54.81  ? 219 HOH   A O   1 
HETATM 2796 O O   . HOH   K 6 .   ? -4.030  -0.772  -0.267  1.00 48.67  ? 220 HOH   A O   1 
HETATM 2797 O O   . HOH   K 6 .   ? -31.115 0.221   -23.080 1.00 37.90  ? 221 HOH   A O   1 
HETATM 2798 O O   . HOH   K 6 .   ? -2.986  -9.159  -3.311  1.00 53.69  ? 222 HOH   A O   1 
HETATM 2799 O O   A HOH   K 6 .   ? -9.318  2.891   -8.884  0.22 43.29  ? 223 HOH   A O   1 
HETATM 2800 O O   B HOH   K 6 .   ? -9.315  2.893   -8.884  0.23 43.29  ? 223 HOH   A O   1 
HETATM 2801 O O   C HOH   K 6 .   ? -9.935  1.580   -7.527  0.18 32.72  ? 223 HOH   A O   1 
HETATM 2802 O O   D HOH   K 6 .   ? -9.936  1.578   -7.531  0.18 32.72  ? 223 HOH   A O   1 
HETATM 2803 O O   E HOH   K 6 .   ? -9.936  1.580   -7.527  0.18 32.72  ? 223 HOH   A O   1 
HETATM 2804 O O   A HOH   K 6 .   ? -21.465 18.756  -21.244 0.50 55.35  ? 224 HOH   A O   1 
HETATM 2805 O O   B HOH   K 6 .   ? -21.465 18.756  -21.244 0.50 55.35  ? 224 HOH   A O   1 
HETATM 2806 O O   C HOH   K 6 .   ? -0.260  -11.659 -5.649  0.33 47.71  ? 225 HOH   A O   1 
HETATM 2807 O O   D HOH   K 6 .   ? -0.260  -11.659 -5.649  0.33 47.71  ? 225 HOH   A O   1 
HETATM 2808 O O   E HOH   K 6 .   ? -0.260  -11.659 -5.649  0.33 47.71  ? 225 HOH   A O   1 
HETATM 2809 O O   . HOH   L 6 .   ? -30.620 12.579  -19.303 1.00 45.35  ? 301 HOH   B O   1 
HETATM 2810 O O   . HOH   L 6 .   ? -13.020 -2.452  -14.727 1.00 34.45  ? 302 HOH   B O   1 
HETATM 2811 O O   . HOH   L 6 .   ? -19.343 -12.125 -25.426 1.00 44.33  ? 303 HOH   B O   1 
HETATM 2812 O O   . HOH   L 6 .   ? -33.761 1.635   -15.349 1.00 43.35  ? 304 HOH   B O   1 
HETATM 2813 O O   A HOH   L 6 .   ? -16.811 25.828  -12.537 0.50 54.83  ? 305 HOH   B O   1 
HETATM 2814 O O   B HOH   L 6 .   ? -16.811 25.828  -12.537 0.50 54.83  ? 305 HOH   B O   1 
HETATM 2815 O O   . HOH   L 6 .   ? -25.844 -7.971  -16.652 1.00 38.82  ? 306 HOH   B O   1 
HETATM 2816 O O   C HOH   L 6 .   ? -22.353 14.869  -5.996  0.33 48.74  ? 307 HOH   B O   1 
HETATM 2817 O O   D HOH   L 6 .   ? -22.353 14.869  -5.996  0.33 48.74  ? 307 HOH   B O   1 
HETATM 2818 O O   E HOH   L 6 .   ? -22.353 14.869  -5.996  0.33 48.74  ? 307 HOH   B O   1 
HETATM 2819 O O   . HOH   L 6 .   ? -16.557 -7.331  -8.148  1.00 50.15  ? 308 HOH   B O   1 
HETATM 2820 O O   . HOH   L 6 .   ? -34.342 0.582   -3.457  1.00 45.87  ? 309 HOH   B O   1 
HETATM 2821 O O   . HOH   L 6 .   ? -6.194  -0.368  -10.741 1.00 36.90  ? 310 HOH   B O   1 
HETATM 2822 O O   . HOH   L 6 .   ? -6.976  -10.974 -5.468  1.00 47.34  ? 311 HOH   B O   1 
HETATM 2823 O O   . HOH   L 6 .   ? -23.394 -14.500 -18.017 1.00 61.37  ? 312 HOH   B O   1 
HETATM 2824 O O   C HOH   L 6 .   ? -7.285  1.005   -28.340 0.18 38.42  ? 313 HOH   B O   1 
HETATM 2825 O O   D HOH   L 6 .   ? -7.288  1.002   -28.340 0.18 38.42  ? 313 HOH   B O   1 
HETATM 2826 O O   E HOH   L 6 .   ? -7.285  1.005   -28.340 0.18 38.42  ? 313 HOH   B O   1 
HETATM 2827 O O   . HOH   L 6 .   ? -9.128  -6.314  -25.544 1.00 41.87  ? 314 HOH   B O   1 
HETATM 2828 O O   . HOH   L 6 .   ? -17.832 -10.696 -16.482 1.00 37.44  ? 315 HOH   B O   1 
HETATM 2829 O O   . HOH   L 6 .   ? -19.814 -7.955  -2.871  1.00 49.16  ? 316 HOH   B O   1 
HETATM 2830 O O   . HOH   L 6 .   ? -17.145 12.747  -5.429  1.00 45.14  ? 317 HOH   B O   1 
HETATM 2831 O O   . HOH   L 6 .   ? -30.931 -12.633 -2.063  1.00 73.75  ? 318 HOH   B O   1 
HETATM 2832 O O   A HOH   L 6 .   ? -11.940 -18.092 -27.761 0.50 53.56  ? 319 HOH   B O   1 
HETATM 2833 O O   B HOH   L 6 .   ? -11.940 -18.092 -27.761 0.50 53.56  ? 319 HOH   B O   1 
HETATM 2834 O O   . HOH   L 6 .   ? -15.235 -4.645  1.467   1.00 37.60  ? 320 HOH   B O   1 
HETATM 2835 O O   . HOH   L 6 .   ? -21.494 -12.216 -13.254 1.00 48.19  ? 321 HOH   B O   1 
HETATM 2836 O O   . HOH   L 6 .   ? -35.237 3.981   -9.033  1.00 51.71  ? 322 HOH   B O   1 
HETATM 2837 O O   . HOH   L 6 .   ? -16.433 20.813  -14.294 1.00 52.05  ? 323 HOH   B O   1 
HETATM 2838 O O   . HOH   L 6 .   ? -16.188 -14.722 -16.658 1.00 46.17  ? 324 HOH   B O   1 
HETATM 2839 O O   A HOH   L 6 .   ? -15.417 -10.175 -15.396 0.22 29.18  ? 325 HOH   B O   1 
HETATM 2840 O O   B HOH   L 6 .   ? -15.417 -10.174 -15.391 0.23 29.22  ? 325 HOH   B O   1 
HETATM 2841 O O   . HOH   L 6 .   ? -35.279 -5.223  -10.296 1.00 49.34  ? 326 HOH   B O   1 
HETATM 2842 O O   . HOH   L 6 .   ? -10.849 11.867  -19.081 1.00 47.07  ? 327 HOH   B O   1 
HETATM 2843 O O   . HOH   L 6 .   ? -15.416 9.165   -0.673  1.00 43.20  ? 328 HOH   B O   1 
HETATM 2844 O O   C HOH   L 6 .   ? -20.199 -7.871  -5.452  0.33 54.03  ? 329 HOH   B O   1 
HETATM 2845 O O   D HOH   L 6 .   ? -20.199 -7.871  -5.452  0.33 54.03  ? 329 HOH   B O   1 
HETATM 2846 O O   E HOH   L 6 .   ? -20.199 -7.871  -5.452  0.33 54.03  ? 329 HOH   B O   1 
HETATM 2847 O O   A HOH   L 6 .   ? -22.581 -6.610  -5.573  0.50 72.10  ? 330 HOH   B O   1 
HETATM 2848 O O   B HOH   L 6 .   ? -22.581 -6.610  -5.573  0.50 72.10  ? 330 HOH   B O   1 
HETATM 2849 O O   A HOH   L 6 .   ? -21.812 6.704   -0.304  0.50 39.86  ? 331 HOH   B O   1 
HETATM 2850 O O   B HOH   L 6 .   ? -21.793 7.709   0.016   0.22 21.51  ? 331 HOH   B O   1 
HETATM 2851 O O   . HOH   L 6 .   ? -30.522 4.703   -2.818  1.00 47.31  ? 332 HOH   B O   1 
HETATM 2852 O O   . HOH   L 6 .   ? -15.917 -14.257 -30.755 1.00 48.53  ? 333 HOH   B O   1 
HETATM 2853 O O   C HOH   L 6 .   ? -20.178 13.669  2.060   0.33 56.10  ? 334 HOH   B O   1 
HETATM 2854 O O   D HOH   L 6 .   ? -20.178 13.669  2.060   0.33 56.10  ? 334 HOH   B O   1 
HETATM 2855 O O   E HOH   L 6 .   ? -20.178 13.669  2.060   0.33 56.10  ? 334 HOH   B O   1 
HETATM 2856 O O   C HOH   L 6 .   ? -10.817 9.284   -9.944  0.18 32.33  ? 335 HOH   B O   1 
HETATM 2857 O O   D HOH   L 6 .   ? -10.810 9.270   -9.946  0.18 32.32  ? 335 HOH   B O   1 
HETATM 2858 O O   E HOH   L 6 .   ? -10.817 9.284   -9.944  0.18 32.33  ? 335 HOH   B O   1 
HETATM 2859 O O   A HOH   L 6 .   ? -31.682 7.181   -4.981  0.50 71.54  ? 336 HOH   B O   1 
HETATM 2860 O O   B HOH   L 6 .   ? -31.682 7.181   -4.981  0.50 71.54  ? 336 HOH   B O   1 
HETATM 2861 O O   . HOH   L 6 .   ? -11.944 1.992   -5.699  1.00 38.24  ? 337 HOH   B O   1 
HETATM 2862 O O   . HOH   L 6 .   ? -27.709 -6.296  -18.633 1.00 45.11  ? 338 HOH   B O   1 
HETATM 2863 O O   E HOH   L 6 .   ? -28.389 6.659   0.788   0.50 30.65  ? 339 HOH   B O   1 
HETATM 2864 O O   . HOH   L 6 .   ? -14.439 -12.335 -16.600 1.00 42.63  ? 340 HOH   B O   1 
HETATM 2865 O O   . HOH   L 6 .   ? -21.569 -13.524 -21.930 1.00 48.23  ? 341 HOH   B O   1 
HETATM 2866 O O   . HOH   L 6 .   ? -26.807 -6.821  -5.434  1.00 57.56  ? 342 HOH   B O   1 
HETATM 2867 O O   . HOH   L 6 .   ? -20.816 2.668   -32.479 1.00 42.84  ? 343 HOH   B O   1 
HETATM 2868 O O   C HOH   L 6 .   ? -14.377 7.992   -29.774 0.18 38.82  ? 344 HOH   B O   1 
HETATM 2869 O O   D HOH   L 6 .   ? -14.363 8.007   -29.773 0.18 38.79  ? 344 HOH   B O   1 
HETATM 2870 O O   E HOH   L 6 .   ? -14.377 7.992   -29.774 0.18 38.82  ? 344 HOH   B O   1 
HETATM 2871 O O   . HOH   L 6 .   ? -14.973 16.578  -19.932 1.00 42.32  ? 345 HOH   B O   1 
HETATM 2872 O O   A HOH   L 6 .   ? -31.998 -6.780  -7.154  0.50 54.41  ? 346 HOH   B O   1 
HETATM 2873 O O   B HOH   L 6 .   ? -31.998 -6.780  -7.154  0.50 54.41  ? 346 HOH   B O   1 
HETATM 2874 O O   . HOH   L 6 .   ? -30.577 12.383  -16.528 1.00 44.29  ? 347 HOH   B O   1 
HETATM 2875 O O   . HOH   L 6 .   ? -12.410 -3.456  -10.180 1.00 32.42  ? 348 HOH   B O   1 
HETATM 2876 O O   A HOH   L 6 .   ? -29.264 -7.808  -6.022  0.50 68.33  ? 349 HOH   B O   1 
HETATM 2877 O O   B HOH   L 6 .   ? -29.264 -7.808  -6.022  0.50 68.33  ? 349 HOH   B O   1 
HETATM 2878 O O   . HOH   L 6 .   ? -7.310  -6.486  0.511   1.00 49.91  ? 350 HOH   B O   1 
HETATM 2879 O O   . HOH   L 6 .   ? -21.735 6.487   -32.949 1.00 68.14  ? 351 HOH   B O   1 
HETATM 2880 O O   C HOH   L 6 .   ? 3.822   -4.941  -19.386 0.19 47.39  ? 352 HOH   B O   1 
HETATM 2881 O O   D HOH   L 6 .   ? 3.822   -4.941  -19.386 0.19 47.39  ? 352 HOH   B O   1 
HETATM 2882 O O   E HOH   L 6 .   ? 3.822   -4.941  -19.386 0.19 47.39  ? 352 HOH   B O   1 
HETATM 2883 O O   . HOH   L 6 .   ? -18.685 15.006  -21.998 1.00 35.65  ? 353 HOH   B O   1 
HETATM 2884 O O   . HOH   L 6 .   ? -8.649  -10.823 -7.473  1.00 52.89  ? 354 HOH   B O   1 
HETATM 2885 O O   A HOH   L 6 .   ? -11.038 7.683   -13.817 0.22 30.80  ? 355 HOH   B O   1 
HETATM 2886 O O   B HOH   L 6 .   ? -11.035 7.688   -13.822 0.23 30.85  ? 355 HOH   B O   1 
HETATM 2887 O O   C HOH   L 6 .   ? -18.494 -10.765 -10.187 0.33 52.02  ? 356 HOH   B O   1 
HETATM 2888 O O   D HOH   L 6 .   ? -18.494 -10.765 -10.187 0.33 52.02  ? 356 HOH   B O   1 
HETATM 2889 O O   E HOH   L 6 .   ? -18.494 -10.765 -10.187 0.33 52.02  ? 356 HOH   B O   1 
HETATM 2890 O O   . HOH   L 6 .   ? -17.194 14.657  -30.854 1.00 45.02  ? 357 HOH   B O   1 
HETATM 2891 O O   . HOH   L 6 .   ? -25.952 -4.703  -4.029  1.00 33.57  ? 358 HOH   B O   1 
HETATM 2892 O O   . HOH   L 6 .   ? -11.564 -5.079  -8.275  1.00 40.27  ? 359 HOH   B O   1 
HETATM 2893 O O   . HOH   L 6 .   ? -19.342 -13.356 -23.051 1.00 36.18  ? 360 HOH   B O   1 
HETATM 2894 O O   . HOH   L 6 .   ? -29.613 -1.349  -19.182 1.00 52.75  ? 361 HOH   B O   1 
HETATM 2895 O O   A HOH   L 6 .   ? -15.008 -6.678  -1.840  0.50 62.24  ? 362 HOH   B O   1 
HETATM 2896 O O   B HOH   L 6 .   ? -15.008 -6.678  -1.840  0.50 62.24  ? 362 HOH   B O   1 
HETATM 2897 O O   A HOH   L 6 .   ? -19.860 24.961  -16.439 0.50 58.83  ? 363 HOH   B O   1 
HETATM 2898 O O   B HOH   L 6 .   ? -19.860 24.961  -16.439 0.50 58.83  ? 363 HOH   B O   1 
HETATM 2899 O O   C HOH   L 6 .   ? -4.909  2.932   -11.956 0.18 36.82  ? 364 HOH   B O   1 
HETATM 2900 O O   D HOH   L 6 .   ? -4.915  2.919   -11.966 0.18 36.77  ? 364 HOH   B O   1 
HETATM 2901 O O   E HOH   L 6 .   ? -4.909  2.932   -11.956 0.18 36.82  ? 364 HOH   B O   1 
HETATM 2902 O O   C HOH   L 6 .   ? 5.606   1.648   -18.438 0.33 54.39  ? 365 HOH   B O   1 
HETATM 2903 O O   D HOH   L 6 .   ? 5.606   1.648   -18.438 0.33 54.39  ? 365 HOH   B O   1 
HETATM 2904 O O   E HOH   L 6 .   ? 5.606   1.648   -18.438 0.33 54.39  ? 365 HOH   B O   1 
HETATM 2905 O O   A HOH   L 6 .   ? -9.754  6.638   -6.798  0.22 21.28  ? 366 HOH   B O   1 
HETATM 2906 O O   B HOH   L 6 .   ? -9.032  5.365   -6.665  0.23 26.08  ? 366 HOH   B O   1 
HETATM 2907 O O   A HOH   L 6 .   ? -18.975 25.261  -14.177 0.50 61.92  ? 367 HOH   B O   1 
HETATM 2908 O O   B HOH   L 6 .   ? -18.975 25.261  -14.177 0.50 61.92  ? 367 HOH   B O   1 
HETATM 2909 O O   . HOH   L 6 .   ? -0.670  0.148   -12.979 1.00 49.65  ? 368 HOH   B O   1 
HETATM 2910 O O   . HOH   L 6 .   ? -19.577 -5.830  -0.760  1.00 39.09  ? 369 HOH   B O   1 
HETATM 2911 O O   A HOH   L 6 .   ? -11.543 11.259  -15.132 0.22 35.54  ? 370 HOH   B O   1 
HETATM 2912 O O   B HOH   L 6 .   ? -11.546 11.263  -15.133 0.23 35.54  ? 370 HOH   B O   1 
HETATM 2913 O O   C HOH   L 6 .   ? -9.786  -16.092 -23.911 0.33 48.66  ? 371 HOH   B O   1 
HETATM 2914 O O   D HOH   L 6 .   ? -9.786  -16.092 -23.911 0.33 48.66  ? 371 HOH   B O   1 
HETATM 2915 O O   E HOH   L 6 .   ? -9.786  -16.092 -23.911 0.33 48.66  ? 371 HOH   B O   1 
HETATM 2916 O O   A HOH   L 6 .   ? -28.126 -12.755 -28.549 0.50 64.61  ? 372 HOH   B O   1 
HETATM 2917 O O   B HOH   L 6 .   ? -28.126 -12.755 -28.549 0.50 64.61  ? 372 HOH   B O   1 
HETATM 2918 O O   . HOH   L 6 .   ? -16.868 16.552  -21.848 1.00 55.74  ? 373 HOH   B O   1 
HETATM 2919 O O   . HOH   L 6 .   ? -10.724 23.408  -12.289 1.00 63.02  ? 374 HOH   B O   1 
HETATM 2920 O O   . HOH   L 6 .   ? -29.379 -5.425  -0.992  1.00 49.16  ? 375 HOH   B O   1 
HETATM 2921 O O   . HOH   L 6 .   ? -1.424  -14.939 -9.777  1.00 60.31  ? 376 HOH   B O   1 
HETATM 2922 O O   . HOH   L 6 .   ? -18.929 -11.981 -13.592 1.00 48.72  ? 377 HOH   B O   1 
HETATM 2923 O O   . HOH   L 6 .   ? -21.234 4.069   0.000   0.50 52.45  ? 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   ? 0.8065 0.5981 1.0095 0.0208  0.3536  -0.0516 50  ASP   A N   
2    C CA  . ASP   A 7   ? 0.7909 0.5839 0.9552 0.0330  0.3379  -0.0501 50  ASP   A CA  
3    C C   . ASP   A 7   ? 0.7713 0.5651 0.9074 0.0583  0.3335  -0.0243 50  ASP   A C   
4    O O   . ASP   A 7   ? 0.7832 0.5662 0.9322 0.0725  0.3507  -0.0032 50  ASP   A O   
5    C CB  . ASP   A 7   ? 0.8265 0.6022 0.9998 0.0361  0.3481  -0.0549 50  ASP   A CB  
6    C CG  . ASP   A 7   ? 0.8285 0.6113 0.9700 0.0387  0.3301  -0.0638 50  ASP   A CG  
7    O OD1 . ASP   A 7   ? 0.8501 0.6460 0.9841 0.0198  0.3169  -0.0855 50  ASP   A OD1 
8    O OD2 . ASP   A 7   ? 0.8577 0.6336 0.9825 0.0601  0.3297  -0.0490 50  ASP   A OD2 
9    N N   . MET   A 8   ? 0.7166 0.5224 0.8154 0.0637  0.3118  -0.0261 51  MET   A N   
10   C CA  . MET   A 8   ? 0.6961 0.5065 0.7647 0.0850  0.3032  -0.0062 51  MET   A CA  
11   C C   . MET   A 8   ? 0.6769 0.4812 0.7205 0.1030  0.2965  0.0000  51  MET   A C   
12   O O   . MET   A 8   ? 0.6707 0.4772 0.7087 0.0940  0.2877  -0.0158 51  MET   A O   
13   C CB  . MET   A 8   ? 0.6839 0.5134 0.7301 0.0771  0.2825  -0.0137 51  MET   A CB  
14   C CG  . MET   A 8   ? 0.6918 0.5306 0.7584 0.0672  0.2875  -0.0136 51  MET   A CG  
15   S SD  . MET   A 8   ? 0.6786 0.5377 0.7144 0.0684  0.2648  -0.0132 51  MET   A SD  
16   C CE  . MET   A 8   ? 0.6781 0.5489 0.7528 0.0537  0.2755  -0.0164 51  MET   A CE  
17   N N   . TYR   A 9   ? 0.6604 0.4587 0.6897 0.1279  0.3005  0.0221  52  TYR   A N   
18   C CA  . TYR   A 9   ? 0.6532 0.4480 0.6590 0.1478  0.2930  0.0288  52  TYR   A CA  
19   C C   . TYR   A 9   ? 0.6479 0.4484 0.6212 0.1695  0.2830  0.0458  52  TYR   A C   
20   O O   . TYR   A 9   ? 0.6500 0.4495 0.6282 0.1755  0.2935  0.0606  52  TYR   A O   
21   C CB  . TYR   A 9   ? 0.6684 0.4456 0.6940 0.1598  0.3121  0.0384  52  TYR   A CB  
22   C CG  . TYR   A 9   ? 0.6923 0.4563 0.7309 0.1750  0.3335  0.0618  52  TYR   A CG  
23   C CD1 . TYR   A 9   ? 0.7009 0.4568 0.7748 0.1603  0.3528  0.0609  52  TYR   A CD1 
24   C CD2 . TYR   A 9   ? 0.7071 0.4666 0.7229 0.2042  0.3351  0.0847  52  TYR   A CD2 
25   C CE1 . TYR   A 9   ? 0.7266 0.4690 0.8150 0.1733  0.3750  0.0831  52  TYR   A CE1 
26   C CE2 . TYR   A 9   ? 0.7319 0.4783 0.7580 0.2189  0.3567  0.1077  52  TYR   A CE2 
27   C CZ  . TYR   A 9   ? 0.7413 0.4784 0.8047 0.2031  0.3776  0.1076  52  TYR   A CZ  
28   O OH  . TYR   A 9   ? 0.7705 0.4939 0.8466 0.2162  0.4012  0.1310  52  TYR   A OH  
29   N N   . ILE   A 10  ? 0.6398 0.4439 0.5866 0.1828  0.2678  0.0451  53  ILE   A N   
30   C CA  . ILE   A 10  ? 0.6399 0.4491 0.5531 0.2051  0.2562  0.0586  53  ILE   A CA  
31   C C   . ILE   A 10  ? 0.6618 0.4624 0.5667 0.2332  0.2628  0.0755  53  ILE   A C   
32   O O   . ILE   A 10  ? 0.6587 0.4538 0.5763 0.2346  0.2672  0.0717  53  ILE   A O   
33   C CB  . ILE   A 10  ? 0.6250 0.4471 0.5122 0.1984  0.2314  0.0440  53  ILE   A CB  
34   C CG1 . ILE   A 10  ? 0.6249 0.4492 0.5111 0.1938  0.2218  0.0297  53  ILE   A CG1 
35   C CG2 . ILE   A 10  ? 0.6142 0.4441 0.5055 0.1752  0.2256  0.0317  53  ILE   A CG2 
36   C CD1 . ILE   A 10  ? 0.6153 0.4501 0.4732 0.1941  0.1990  0.0207  53  ILE   A CD1 
37   N N   . GLU   A 11  ? 0.6819 0.4826 0.5639 0.2556  0.2623  0.0933  54  GLU   A N   
38   C CA  . GLU   A 11  ? 0.7151 0.5099 0.5794 0.2872  0.2658  0.1121  54  GLU   A CA  
39   C C   . GLU   A 11  ? 0.7076 0.5132 0.5328 0.3030  0.2464  0.1147  54  GLU   A C   
40   O O   . GLU   A 11  ? 0.7143 0.5225 0.5264 0.3067  0.2473  0.1227  54  GLU   A O   
41   C CB  . GLU   A 11  ? 0.7449 0.5261 0.6198 0.3016  0.2910  0.1360  54  GLU   A CB  
42   C CG  . GLU   A 11  ? 0.7699 0.5359 0.6818 0.2932  0.3137  0.1388  54  GLU   A CG  
43   C CD  . GLU   A 11  ? 0.8020 0.5535 0.7257 0.3054  0.3402  0.1632  54  GLU   A CD  
44   O OE1 . GLU   A 11  ? 0.8315 0.5872 0.7356 0.3176  0.3410  0.1766  54  GLU   A OE1 
45   O OE2 . GLU   A 11  ? 0.8324 0.5680 0.7861 0.3020  0.3610  0.1685  54  GLU   A OE2 
46   N N   . ARG   A 12  ? 0.7158 0.5265 0.5207 0.3203  0.2312  0.1121  55  ARG   A N   
47   C CA  . ARG   A 12  ? 0.7210 0.5416 0.4893 0.3350  0.2112  0.1113  55  ARG   A CA  
48   C C   . ARG   A 12  ? 0.7477 0.5624 0.4978 0.3610  0.2233  0.1353  55  ARG   A C   
49   O O   . ARG   A 12  ? 0.7712 0.5747 0.5331 0.3742  0.2430  0.1523  55  ARG   A O   
50   C CB  . ARG   A 12  ? 0.7306 0.5599 0.4856 0.3452  0.1923  0.1010  55  ARG   A CB  
51   C CG  . ARG   A 12  ? 0.7323 0.5729 0.4566 0.3499  0.1683  0.0910  55  ARG   A CG  
52   C CD  . ARG   A 12  ? 0.7417 0.5924 0.4620 0.3545  0.1503  0.0773  55  ARG   A CD  
53   N NE  . ARG   A 12  ? 0.7427 0.6035 0.4359 0.3602  0.1275  0.0668  55  ARG   A NE  
54   C CZ  . ARG   A 12  ? 0.7705 0.6333 0.4332 0.3863  0.1206  0.0762  55  ARG   A CZ  
55   N NH1 . ARG   A 12  ? 0.8213 0.6772 0.4758 0.4094  0.1357  0.0980  55  ARG   A NH1 
56   N NH2 . ARG   A 12  ? 0.7572 0.6279 0.3972 0.3889  0.0997  0.0640  55  ARG   A NH2 
57   N N   . ALA   A 13  ? 0.7481 0.5686 0.4737 0.3659  0.2140  0.1361  56  ALA   A N   
58   C CA  . ALA   A 13  ? 0.7788 0.5952 0.4867 0.3873  0.2261  0.1572  56  ALA   A CA  
59   C C   . ALA   A 13  ? 0.8184 0.6423 0.4826 0.4124  0.2070  0.1577  56  ALA   A C   
60   O O   . ALA   A 13  ? 0.8581 0.6781 0.5039 0.4374  0.2165  0.1762  56  ALA   A O   
61   C CB  . ALA   A 13  ? 0.7736 0.5904 0.4957 0.3695  0.2356  0.1577  56  ALA   A CB  
62   N N   . GLY   A 14  ? 0.8031 0.6365 0.4557 0.4075  0.1820  0.1378  57  GLY   A N   
63   C CA  . GLY   A 14  ? 0.8225 0.6633 0.4365 0.4279  0.1625  0.1343  57  GLY   A CA  
64   C C   . GLY   A 14  ? 0.8252 0.6754 0.4329 0.4126  0.1362  0.1090  57  GLY   A C   
65   O O   . GLY   A 14  ? 0.7964 0.6473 0.4269 0.3826  0.1334  0.0942  57  GLY   A O   
66   N N   . ASP   A 15  ? 0.8427 0.6996 0.4197 0.4323  0.1180  0.1039  58  ASP   A N   
67   C CA  . ASP   A 15  ? 0.8467 0.7108 0.4114 0.4225  0.0933  0.0818  58  ASP   A CA  
68   C C   . ASP   A 15  ? 0.8543 0.7144 0.4061 0.4158  0.0928  0.0815  58  ASP   A C   
69   O O   . ASP   A 15  ? 0.8809 0.7363 0.4273 0.4232  0.1064  0.0958  58  ASP   A O   
70   C CB  . ASP   A 15  ? 0.8867 0.7592 0.4231 0.4473  0.0744  0.0761  58  ASP   A CB  
71   C CG  . ASP   A 15  ? 0.9083 0.7887 0.4574 0.4545  0.0698  0.0728  58  ASP   A CG  
72   O OD1 . ASP   A 15  ? 0.8919 0.7691 0.4731 0.4383  0.0828  0.0748  58  ASP   A OD1 
73   O OD2 . ASP   A 15  ? 0.9521 0.8425 0.4818 0.4729  0.0522  0.0652  58  ASP   A OD2 
74   N N   . ILE   A 16  ? 0.8197 0.6819 0.3735 0.3946  0.0756  0.0609  59  ILE   A N   
75   C CA  . ILE   A 16  ? 0.8229 0.6812 0.3634 0.3893  0.0725  0.0591  59  ILE   A CA  
76   C C   . ILE   A 16  ? 0.8469 0.7074 0.3538 0.4076  0.0531  0.0501  59  ILE   A C   
77   O O   . ILE   A 16  ? 0.8524 0.7156 0.3563 0.3993  0.0340  0.0311  59  ILE   A O   
78   C CB  . ILE   A 16  ? 0.7909 0.6476 0.3526 0.3573  0.0699  0.0467  59  ILE   A CB  
79   C CG1 . ILE   A 16  ? 0.7786 0.6335 0.3702 0.3437  0.0906  0.0569  59  ILE   A CG1 
80   C CG2 . ILE   A 16  ? 0.7966 0.6497 0.3425 0.3531  0.0620  0.0420  59  ILE   A CG2 
81   C CD1 . ILE   A 16  ? 0.7536 0.6084 0.3676 0.3128  0.0891  0.0443  59  ILE   A CD1 
82   N N   A THR   A 17  ? 0.8715 0.7303 0.3541 0.4335  0.0604  0.0649  60  THR   A N   
83   N N   B THR   A 17  ? 0.8694 0.7283 0.3517 0.4334  0.0600  0.0645  60  THR   A N   
84   N N   C THR   A 17  ? 0.8715 0.7303 0.3541 0.4335  0.0604  0.0649  60  THR   A N   
85   N N   D THR   A 17  ? 0.8694 0.7282 0.3517 0.4334  0.0600  0.0646  60  THR   A N   
86   N N   E THR   A 17  ? 0.8715 0.7303 0.3541 0.4335  0.0604  0.0649  60  THR   A N   
87   C CA  A THR   A 17  ? 0.8974 0.7584 0.3437 0.4586  0.0457  0.0601  60  THR   A CA  
88   C CA  B THR   A 17  ? 0.8934 0.7546 0.3397 0.4581  0.0447  0.0592  60  THR   A CA  
89   C CA  C THR   A 17  ? 0.8974 0.7584 0.3437 0.4586  0.0457  0.0602  60  THR   A CA  
90   C CA  D THR   A 17  ? 0.8935 0.7546 0.3398 0.4581  0.0447  0.0592  60  THR   A CA  
91   C CA  E THR   A 17  ? 0.8974 0.7584 0.3437 0.4586  0.0457  0.0602  60  THR   A CA  
92   C C   A THR   A 17  ? 0.9100 0.7660 0.3357 0.4712  0.0537  0.0705  60  THR   A C   
93   C C   B THR   A 17  ? 0.9109 0.7673 0.3352 0.4732  0.0534  0.0708  60  THR   A C   
94   C C   C THR   A 17  ? 0.9102 0.7662 0.3359 0.4712  0.0536  0.0705  60  THR   A C   
95   C C   D THR   A 17  ? 0.9111 0.7675 0.3353 0.4732  0.0534  0.0708  60  THR   A C   
96   C C   E THR   A 17  ? 0.9102 0.7662 0.3359 0.4712  0.0536  0.0705  60  THR   A C   
97   O O   A THR   A 17  ? 0.9196 0.7734 0.3525 0.4766  0.0759  0.0906  60  THR   A O   
98   O O   B THR   A 17  ? 0.9273 0.7818 0.3549 0.4836  0.0759  0.0927  60  THR   A O   
99   O O   C THR   A 17  ? 0.9190 0.7727 0.3520 0.4764  0.0759  0.0906  60  THR   A O   
100  O O   D THR   A 17  ? 0.9263 0.7808 0.3539 0.4835  0.0759  0.0926  60  THR   A O   
101  O O   E THR   A 17  ? 0.9190 0.7727 0.3520 0.4764  0.0759  0.0906  60  THR   A O   
102  C CB  A THR   A 17  ? 0.9202 0.7872 0.3531 0.4852  0.0459  0.0682  60  THR   A CB  
103  C CB  B THR   A 17  ? 0.9096 0.7777 0.3455 0.4818  0.0424  0.0642  60  THR   A CB  
104  C CB  C THR   A 17  ? 0.9203 0.7873 0.3532 0.4853  0.0459  0.0683  60  THR   A CB  
105  C CB  D THR   A 17  ? 0.9101 0.7781 0.3459 0.4819  0.0424  0.0642  60  THR   A CB  
106  C CB  E THR   A 17  ? 0.9203 0.7873 0.3532 0.4853  0.0459  0.0683  60  THR   A CB  
107  O OG1 A THR   A 17  ? 0.9368 0.7999 0.3650 0.5023  0.0686  0.0928  60  THR   A OG1 
108  O OG1 B THR   A 17  ? 0.8862 0.7603 0.3420 0.4661  0.0298  0.0480  60  THR   A OG1 
109  O OG1 C THR   A 17  ? 0.9370 0.8001 0.3648 0.5027  0.0685  0.0929  60  THR   A OG1 
110  O OG1 D THR   A 17  ? 0.8876 0.7617 0.3432 0.4662  0.0297  0.0480  60  THR   A OG1 
111  O OG1 E THR   A 17  ? 0.9370 0.8001 0.3648 0.5027  0.0685  0.0929  60  THR   A OG1 
112  C CG2 A THR   A 17  ? 0.9068 0.7795 0.3652 0.4744  0.0431  0.0622  60  THR   A CG2 
113  C CG2 B THR   A 17  ? 0.9415 0.8129 0.3375 0.5119  0.0301  0.0622  60  THR   A CG2 
114  C CG2 C THR   A 17  ? 0.9069 0.7796 0.3653 0.4744  0.0431  0.0623  60  THR   A CG2 
115  C CG2 D THR   A 17  ? 0.9418 0.8133 0.3378 0.5119  0.0301  0.0622  60  THR   A CG2 
116  C CG2 E THR   A 17  ? 0.9069 0.7796 0.3653 0.4744  0.0431  0.0623  60  THR   A CG2 
117  N N   . TRP   A 18  ? 0.9202 0.7747 0.3204 0.4782  0.0366  0.0571  61  TRP   A N   
118  C CA  . TRP   A 18  ? 0.9538 0.8049 0.3267 0.4980  0.0414  0.0652  61  TRP   A CA  
119  C C   . TRP   A 18  ? 0.9969 0.8522 0.3436 0.5312  0.0464  0.0778  61  TRP   A C   
120  O O   . TRP   A 18  ? 1.0200 0.8813 0.3588 0.5403  0.0329  0.0693  61  TRP   A O   
121  C CB  . TRP   A 18  ? 0.9387 0.7855 0.2932 0.4955  0.0209  0.0453  61  TRP   A CB  
122  C CG  . TRP   A 18  ? 0.9516 0.7942 0.2801 0.5142  0.0259  0.0518  61  TRP   A CG  
123  C CD1 . TRP   A 18  ? 0.9759 0.8204 0.2691 0.5452  0.0235  0.0547  61  TRP   A CD1 
124  C CD2 . TRP   A 18  ? 0.9350 0.7724 0.2693 0.5053  0.0339  0.0560  61  TRP   A CD2 
125  N NE1 . TRP   A 18  ? 0.9900 0.8300 0.2672 0.5560  0.0311  0.0608  61  TRP   A NE1 
126  C CE2 . TRP   A 18  ? 0.9691 0.8051 0.2719 0.5320  0.0371  0.0615  61  TRP   A CE2 
127  C CE3 . TRP   A 18  ? 0.8995 0.7344 0.2617 0.4789  0.0387  0.0558  61  TRP   A CE3 
128  C CZ2 . TRP   A 18  ? 0.9750 0.8074 0.2757 0.5327  0.0452  0.0667  61  TRP   A CZ2 
129  C CZ3 . TRP   A 18  ? 0.9011 0.7331 0.2607 0.4799  0.0452  0.0608  61  TRP   A CZ3 
130  C CH2 . TRP   A 18  ? 0.9406 0.7714 0.2712 0.5062  0.0486  0.0662  61  TRP   A CH2 
131  N N   A GLU   A 19  ? 1.0200 0.8733 0.3535 0.5493  0.0649  0.0973  62  GLU   A N   
132  N N   B GLU   A 19  ? 1.0197 0.8731 0.3533 0.5493  0.0649  0.0974  62  GLU   A N   
133  N N   C GLU   A 19  ? 1.0172 0.8706 0.3533 0.5483  0.0664  0.0985  62  GLU   A N   
134  N N   D GLU   A 19  ? 1.0172 0.8706 0.3533 0.5483  0.0664  0.0985  62  GLU   A N   
135  N N   E GLU   A 19  ? 1.0172 0.8706 0.3533 0.5483  0.0664  0.0985  62  GLU   A N   
136  C CA  A GLU   A 19  ? 1.0645 0.9205 0.3704 0.5828  0.0737  0.1135  62  GLU   A CA  
137  C CA  B GLU   A 19  ? 1.0644 0.9204 0.3703 0.5828  0.0737  0.1135  62  GLU   A CA  
138  C CA  C GLU   A 19  ? 1.0617 0.9174 0.3678 0.5829  0.0750  0.1145  62  GLU   A CA  
139  C CA  D GLU   A 19  ? 1.0617 0.9174 0.3678 0.5829  0.0750  0.1145  62  GLU   A CA  
140  C CA  E GLU   A 19  ? 1.0617 0.9174 0.3678 0.5829  0.0750  0.1145  62  GLU   A CA  
141  C C   A GLU   A 19  ? 1.0973 0.9515 0.3662 0.6064  0.0739  0.1158  62  GLU   A C   
142  C C   B GLU   A 19  ? 1.0971 0.9513 0.3660 0.6064  0.0739  0.1158  62  GLU   A C   
143  C C   C GLU   A 19  ? 1.0942 0.9482 0.3632 0.6044  0.0713  0.1128  62  GLU   A C   
144  C C   D GLU   A 19  ? 1.0942 0.9482 0.3632 0.6044  0.0713  0.1128  62  GLU   A C   
145  C C   E GLU   A 19  ? 1.0942 0.9482 0.3632 0.6044  0.0713  0.1128  62  GLU   A C   
146  O O   A GLU   A 19  ? 1.0798 0.9304 0.3557 0.6020  0.0892  0.1255  62  GLU   A O   
147  O O   B GLU   A 19  ? 1.0792 0.9298 0.3551 0.6020  0.0892  0.1256  62  GLU   A O   
148  O O   C GLU   A 19  ? 1.0791 0.9292 0.3543 0.5969  0.0812  0.1170  62  GLU   A O   
149  O O   D GLU   A 19  ? 1.0791 0.9292 0.3543 0.5969  0.0812  0.1170  62  GLU   A O   
150  O O   E GLU   A 19  ? 1.0791 0.9292 0.3543 0.5969  0.0812  0.1170  62  GLU   A O   
151  C CB  A GLU   A 19  ? 1.0657 0.9198 0.3940 0.5828  0.1014  0.1385  62  GLU   A CB  
152  C CB  B GLU   A 19  ? 1.0657 0.9198 0.3939 0.5829  0.1013  0.1385  62  GLU   A CB  
153  C CB  C GLU   A 19  ? 1.0653 0.9186 0.3874 0.5876  0.1048  0.1419  62  GLU   A CB  
154  C CB  D GLU   A 19  ? 1.0653 0.9187 0.3874 0.5876  0.1048  0.1419  62  GLU   A CB  
155  C CB  E GLU   A 19  ? 1.0653 0.9186 0.3874 0.5876  0.1048  0.1419  62  GLU   A CB  
156  C CG  A GLU   A 19  ? 1.0413 0.8957 0.4085 0.5577  0.1029  0.1353  62  GLU   A CG  
157  C CG  B GLU   A 19  ? 1.0413 0.8957 0.4085 0.5577  0.1029  0.1353  62  GLU   A CG  
158  C CG  C GLU   A 19  ? 1.1057 0.9601 0.3972 0.6231  0.1145  0.1600  62  GLU   A CG  
159  C CG  D GLU   A 19  ? 1.1057 0.9601 0.3972 0.6231  0.1145  0.1601  62  GLU   A CG  
160  C CG  E GLU   A 19  ? 1.1057 0.9601 0.3972 0.6231  0.1145  0.1600  62  GLU   A CG  
161  C CD  A GLU   A 19  ? 1.0524 0.9123 0.4167 0.5646  0.0886  0.1272  62  GLU   A CD  
162  C CD  B GLU   A 19  ? 1.0518 0.9118 0.4166 0.5641  0.0884  0.1269  62  GLU   A CD  
163  C CD  C GLU   A 19  ? 1.1234 0.9729 0.4179 0.6351  0.1463  0.1889  62  GLU   A CD  
164  C CD  D GLU   A 19  ? 1.1234 0.9729 0.4179 0.6351  0.1463  0.1889  62  GLU   A CD  
165  C CD  E GLU   A 19  ? 1.1234 0.9729 0.4179 0.6351  0.1463  0.1889  62  GLU   A CD  
166  O OE1 A GLU   A 19  ? 1.0872 0.9524 0.4190 0.5868  0.0718  0.1193  62  GLU   A OE1 
167  O OE1 B GLU   A 19  ? 1.0873 0.9526 0.4196 0.5866  0.0719  0.1194  62  GLU   A OE1 
168  O OE1 C GLU   A 19  ? 1.1070 0.9537 0.4350 0.6129  0.1621  0.1948  62  GLU   A OE1 
169  O OE1 D GLU   A 19  ? 1.1070 0.9537 0.4351 0.6129  0.1621  0.1949  62  GLU   A OE1 
170  O OE1 E GLU   A 19  ? 1.1070 0.9537 0.4350 0.6129  0.1621  0.1948  62  GLU   A OE1 
171  O OE2 A GLU   A 19  ? 1.0370 0.8968 0.4326 0.5480  0.0942  0.1282  62  GLU   A OE2 
172  O OE2 B GLU   A 19  ? 1.0357 0.8956 0.4321 0.5468  0.0935  0.1273  62  GLU   A OE2 
173  O OE2 C GLU   A 19  ? 1.1625 1.0116 0.4261 0.6670  0.1555  0.2054  62  GLU   A OE2 
174  O OE2 D GLU   A 19  ? 1.1624 1.0115 0.4259 0.6669  0.1555  0.2053  62  GLU   A OE2 
175  O OE2 E GLU   A 19  ? 1.1625 1.0116 0.4261 0.6670  0.1555  0.2054  62  GLU   A OE2 
176  N N   . LYS   A 20  ? 1.1363 0.9941 0.3681 0.6312  0.0575  0.1065  63  LYS   A N   
177  C CA  . LYS   A 20  ? 1.2165 1.0729 0.4078 0.6574  0.0564  0.1067  63  LYS   A CA  
178  C C   . LYS   A 20  ? 1.2632 1.1187 0.4449 0.6790  0.0856  0.1371  63  LYS   A C   
179  O O   . LYS   A 20  ? 1.3156 1.1732 0.5043 0.6864  0.0966  0.1529  63  LYS   A O   
180  C CB  . LYS   A 20  ? 1.2759 1.1376 0.4320 0.6776  0.0308  0.0878  63  LYS   A CB  
181  C CG  . LYS   A 20  ? 1.2995 1.1600 0.4631 0.6574  0.0038  0.0571  63  LYS   A CG  
182  C CD  . LYS   A 20  ? 1.3425 1.2118 0.4836 0.6725  -0.0217 0.0374  63  LYS   A CD  
183  C CE  . LYS   A 20  ? 1.3367 1.2052 0.4941 0.6484  -0.0467 0.0076  63  LYS   A CE  
184  N NZ  . LYS   A 20  ? 1.3555 1.2372 0.5122 0.6543  -0.0666 -0.0067 63  LYS   A NZ  
185  N N   . ASP   A 21  ? 1.2879 1.1400 0.4613 0.6851  0.1000  0.1459  64  ASP   A N   
186  C CA  . ASP   A 21  ? 1.3404 1.1916 0.5039 0.7062  0.1298  0.1746  64  ASP   A CA  
187  C C   . ASP   A 21  ? 1.2893 1.1388 0.4983 0.6858  0.1543  0.1941  64  ASP   A C   
188  O O   . ASP   A 21  ? 1.3113 1.1592 0.5160 0.7031  0.1779  0.2190  64  ASP   A O   
189  C CB  . ASP   A 21  ? 1.4325 1.2863 0.5511 0.7439  0.1295  0.1837  64  ASP   A CB  
190  C CG  . ASP   A 21  ? 1.4988 1.3546 0.5707 0.7660  0.1081  0.1646  64  ASP   A CG  
191  O OD1 . ASP   A 21  ? 1.5364 1.3909 0.5791 0.7888  0.1212  0.1746  64  ASP   A OD1 
192  O OD2 . ASP   A 21  ? 1.5419 1.4009 0.6082 0.7603  0.0793  0.1394  64  ASP   A OD2 
193  N N   . ALA   A 22  ? 1.2248 1.0739 0.4745 0.6507  0.1474  0.1818  65  ALA   A N   
194  C CA  . ALA   A 22  ? 1.1716 1.0198 0.4661 0.6275  0.1704  0.1956  65  ALA   A CA  
195  C C   . ALA   A 22  ? 1.1861 1.0356 0.4751 0.6379  0.1900  0.2089  65  ALA   A C   
196  O O   . ALA   A 22  ? 1.2029 1.0532 0.4582 0.6530  0.1783  0.1975  65  ALA   A O   
197  C CB  . ALA   A 22  ? 1.1127 0.9614 0.4440 0.5901  0.1560  0.1765  65  ALA   A CB  
198  N N   . GLU   A 23  ? 1.1807 1.0303 0.5054 0.6279  0.2185  0.2297  66  GLU   A N   
199  C CA  . GLU   A 23  ? 1.1912 1.0442 0.5246 0.6339  0.2438  0.2467  66  GLU   A CA  
200  C C   . GLU   A 23  ? 1.1693 1.0273 0.5166 0.6147  0.2303  0.2291  66  GLU   A C   
201  O O   . GLU   A 23  ? 1.1075 0.9663 0.4849 0.5844  0.2164  0.2137  66  GLU   A O   
202  C CB  . GLU   A 23  ? 1.2211 1.0729 0.5926 0.6244  0.2730  0.2682  66  GLU   A CB  
203  C CG  . GLU   A 23  ? 1.2570 1.1148 0.6519 0.6221  0.2992  0.2832  66  GLU   A CG  
204  C CD  . GLU   A 23  ? 1.2996 1.1547 0.7336 0.6127  0.3289  0.3040  66  GLU   A CD  
205  O OE1 . GLU   A 23  ? 1.3655 1.2127 0.7801 0.6384  0.3507  0.3278  66  GLU   A OE1 
206  O OE2 . GLU   A 23  ? 1.2853 1.1449 0.7681 0.5800  0.3297  0.2960  66  GLU   A OE2 
207  N N   . VAL   A 24  ? 1.1643 1.0257 0.4931 0.6299  0.2348  0.2309  67  VAL   A N   
208  C CA  . VAL   A 24  ? 1.1249 0.9892 0.4565 0.6176  0.2174  0.2122  67  VAL   A CA  
209  C C   . VAL   A 24  ? 1.1047 0.9780 0.4626 0.6140  0.2392  0.2245  67  VAL   A C   
210  O O   . VAL   A 24  ? 1.1392 1.0151 0.4765 0.6390  0.2556  0.2376  67  VAL   A O   
211  C CB  . VAL   A 24  ? 1.1588 1.0180 0.4415 0.6398  0.1970  0.1975  67  VAL   A CB  
212  C CG1 . VAL   A 24  ? 1.1384 0.9967 0.4243 0.6263  0.1779  0.1776  67  VAL   A CG1 
213  C CG2 . VAL   A 24  ? 1.1746 1.0279 0.4326 0.6471  0.1788  0.1880  67  VAL   A CG2 
214  N N   . THR   A 25  ? 1.0469 0.9264 0.4491 0.5840  0.2387  0.2195  68  THR   A N   
215  C CA  . THR   A 25  ? 1.0223 0.9139 0.4628 0.5752  0.2614  0.2322  68  THR   A CA  
216  C C   . THR   A 25  ? 0.9799 0.8784 0.4528 0.5459  0.2464  0.2162  68  THR   A C   
217  O O   . THR   A 25  ? 0.9643 0.8556 0.4253 0.5344  0.2194  0.1965  68  THR   A O   
218  C CB  . THR   A 25  ? 1.0314 0.9234 0.4988 0.5717  0.2878  0.2522  68  THR   A CB  
219  O OG1 . THR   A 25  ? 1.0552 0.9602 0.5566 0.5683  0.3126  0.2656  68  THR   A OG1 
220  C CG2 . THR   A 25  ? 1.0100 0.9003 0.5123 0.5420  0.2816  0.2447  68  THR   A CG2 
221  N N   . GLY   A 26  ? 0.9613 0.8738 0.4727 0.5350  0.2625  0.2238  69  GLY   A N   
222  C CA  . GLY   A 26  ? 0.9313 0.8537 0.4745 0.5095  0.2500  0.2105  69  GLY   A CA  
223  C C   . GLY   A 26  ? 0.9473 0.8720 0.4701 0.5199  0.2357  0.2006  69  GLY   A C   
224  O O   . GLY   A 26  ? 0.9871 0.9001 0.4687 0.5367  0.2219  0.1933  69  GLY   A O   
225  N N   . ASN   A 27  ? 0.9129 0.8527 0.4691 0.5057  0.2361  0.1980  70  ASN   A N   
226  C CA  . ASN   A 27  ? 0.9088 0.8528 0.4558 0.5114  0.2229  0.1888  70  ASN   A CA  
227  C C   . ASN   A 27  ? 0.8658 0.8052 0.4181 0.4878  0.1962  0.1704  70  ASN   A C   
228  O O   . ASN   A 27  ? 0.8266 0.7620 0.3923 0.4674  0.1911  0.1657  70  ASN   A O   
229  C CB  . ASN   A 27  ? 0.9226 0.8885 0.5027 0.5152  0.2432  0.2003  70  ASN   A CB  
230  C CG  . ASN   A 27  ? 0.9099 0.8937 0.5441 0.4858  0.2456  0.1984  70  ASN   A CG  
231  O OD1 . ASN   A 27  ? 0.9315 0.9150 0.5879 0.4703  0.2542  0.2020  70  ASN   A OD1 
232  N ND2 . ASN   A 27  ? 0.9226 0.9224 0.5754 0.4828  0.2396  0.1935  70  ASN   A ND2 
233  N N   . SER   A 28  ? 0.8593 0.7975 0.3987 0.4928  0.1813  0.1611  71  SER   A N   
234  C CA  . SER   A 28  ? 0.8644 0.7918 0.3943 0.4778  0.1549  0.1442  71  SER   A CA  
235  C C   . SER   A 28  ? 0.8558 0.7989 0.4129 0.4681  0.1504  0.1419  71  SER   A C   
236  O O   . SER   A 28  ? 0.8678 0.8058 0.4105 0.4736  0.1356  0.1341  71  SER   A O   
237  C CB  . SER   A 28  ? 0.8930 0.7996 0.3772 0.4942  0.1392  0.1343  71  SER   A CB  
238  O OG  . SER   A 28  ? 0.9437 0.8404 0.4028 0.5081  0.1459  0.1385  71  SER   A OG  
239  N N   . PRO   A 29  ? 0.8401 0.8033 0.4410 0.4502  0.1611  0.1471  72  PRO   A N   
240  C CA  . PRO   A 29  ? 0.8310 0.8148 0.4625 0.4425  0.1589  0.1460  72  PRO   A CA  
241  C C   . PRO   A 29  ? 0.8206 0.7991 0.4486 0.4258  0.1341  0.1323  72  PRO   A C   
242  O O   . PRO   A 29  ? 0.7924 0.7612 0.4188 0.4067  0.1240  0.1244  72  PRO   A O   
243  C CB  . PRO   A 29  ? 0.8125 0.8174 0.4909 0.4264  0.1769  0.1534  72  PRO   A CB  
244  C CG  . PRO   A 29  ? 0.8021 0.7918 0.4737 0.4140  0.1771  0.1514  72  PRO   A CG  
245  C CD  . PRO   A 29  ? 0.8369 0.8042 0.4615 0.4360  0.1748  0.1529  72  PRO   A CD  
246  N N   . ARG   A 30  ? 0.8374 0.8232 0.4662 0.4333  0.1258  0.1303  73  ARG   A N   
247  C CA  . ARG   A 30  ? 0.8457 0.8286 0.4722 0.4207  0.1038  0.1199  73  ARG   A CA  
248  C C   . ARG   A 30  ? 0.7964 0.8090 0.4677 0.4043  0.1051  0.1204  73  ARG   A C   
249  O O   . ARG   A 30  ? 0.7973 0.8319 0.4908 0.4147  0.1129  0.1263  73  ARG   A O   
250  C CB  . ARG   A 30  ? 0.9025 0.8722 0.4993 0.4410  0.0931  0.1175  73  ARG   A CB  
251  C CG  . ARG   A 30  ? 0.9614 0.8998 0.5135 0.4521  0.0857  0.1118  73  ARG   A CG  
252  C CD  . ARG   A 30  ? 1.0406 0.9696 0.5664 0.4807  0.0881  0.1133  73  ARG   A CD  
253  N NE  . ARG   A 30  ? 1.0857 0.9852 0.5698 0.4900  0.0789  0.1050  73  ARG   A NE  
254  C CZ  . ARG   A 30  ? 1.1062 0.9826 0.5682 0.4838  0.0596  0.0937  73  ARG   A CZ  
255  N NH1 . ARG   A 30  ? 1.1225 1.0006 0.5968 0.4696  0.0477  0.0909  73  ARG   A NH1 
256  N NH2 . ARG   A 30  ? 1.0980 0.9501 0.5263 0.4919  0.0523  0.0851  73  ARG   A NH2 
257  N N   . LEU   A 31  ? 0.7555 0.7709 0.4417 0.3794  0.0980  0.1136  74  LEU   A N   
258  C CA  . LEU   A 31  ? 0.7175 0.7624 0.4484 0.3621  0.1004  0.1122  74  LEU   A CA  
259  C C   . LEU   A 31  ? 0.7004 0.7450 0.4268 0.3467  0.0779  0.1016  74  LEU   A C   
260  O O   . LEU   A 31  ? 0.6949 0.7175 0.3967 0.3365  0.0673  0.0949  74  LEU   A O   
261  C CB  . LEU   A 31  ? 0.7006 0.7509 0.4569 0.3463  0.1158  0.1137  74  LEU   A CB  
262  C CG  . LEU   A 31  ? 0.7095 0.7609 0.4727 0.3607  0.1404  0.1263  74  LEU   A CG  
263  C CD1 . LEU   A 31  ? 0.6978 0.7493 0.4833 0.3442  0.1541  0.1275  74  LEU   A CD1 
264  C CD2 . LEU   A 31  ? 0.7115 0.7898 0.5051 0.3721  0.1534  0.1343  74  LEU   A CD2 
265  N N   . ASP   A 32  ? 0.6926 0.7617 0.4419 0.3463  0.0715  0.1006  75  ASP   A N   
266  C CA  . ASP   A 32  ? 0.6866 0.7630 0.4396 0.3295  0.0522  0.0913  75  ASP   A CA  
267  C C   . ASP   A 32  ? 0.6473 0.7418 0.4354 0.3038  0.0571  0.0847  75  ASP   A C   
268  O O   . ASP   A 32  ? 0.6481 0.7735 0.4798 0.2970  0.0657  0.0844  75  ASP   A O   
269  C CB  . ASP   A 32  ? 0.7068 0.8072 0.4753 0.3387  0.0431  0.0923  75  ASP   A CB  
270  C CG  . ASP   A 32  ? 0.7442 0.8262 0.4790 0.3620  0.0353  0.0968  75  ASP   A CG  
271  O OD1 . ASP   A 32  ? 0.7779 0.8266 0.4746 0.3670  0.0327  0.0964  75  ASP   A OD1 
272  O OD2 . ASP   A 32  ? 0.7736 0.8749 0.5218 0.3750  0.0321  0.1000  75  ASP   A OD2 
273  N N   . VAL   A 33  ? 0.6215 0.6968 0.3879 0.2878  0.0458  0.0765  76  VAL   A N   
274  C CA  . VAL   A 33  ? 0.5960 0.6813 0.3880 0.2637  0.0500  0.0686  76  VAL   A CA  
275  C C   . VAL   A 33  ? 0.5837 0.6690 0.3649 0.2472  0.0304  0.0576  76  VAL   A C   
276  O O   . VAL   A 33  ? 0.5892 0.6570 0.3351 0.2535  0.0150  0.0574  76  VAL   A O   
277  C CB  . VAL   A 33  ? 0.5933 0.6583 0.3786 0.2598  0.0644  0.0707  76  VAL   A CB  
278  C CG1 . VAL   A 33  ? 0.6005 0.6617 0.3860 0.2797  0.0823  0.0830  76  VAL   A CG1 
279  C CG2 . VAL   A 33  ? 0.6015 0.6357 0.3464 0.2560  0.0535  0.0661  76  VAL   A CG2 
280  N N   . ALA   A 34  ? 0.5600 0.6633 0.3706 0.2267  0.0321  0.0487  77  ALA   A N   
281  C CA  . ALA   A 34  ? 0.5525 0.6591 0.3570 0.2085  0.0165  0.0368  77  ALA   A CA  
282  C C   . ALA   A 34  ? 0.5350 0.6330 0.3479 0.1890  0.0253  0.0292  77  ALA   A C   
283  O O   . ALA   A 34  ? 0.5246 0.6298 0.3673 0.1855  0.0426  0.0309  77  ALA   A O   
284  C CB  . ALA   A 34  ? 0.5507 0.6932 0.3862 0.2039  0.0083  0.0310  77  ALA   A CB  
285  N N   . LEU   A 35  ? 0.5326 0.6149 0.3200 0.1771  0.0148  0.0216  78  LEU   A N   
286  C CA  . LEU   A 35  ? 0.5233 0.5956 0.3155 0.1592  0.0222  0.0136  78  LEU   A CA  
287  C C   . LEU   A 35  ? 0.5231 0.6120 0.3237 0.1404  0.0107  -0.0003 78  LEU   A C   
288  O O   . LEU   A 35  ? 0.5364 0.6222 0.3091 0.1423  -0.0061 -0.0018 78  LEU   A O   
289  C CB  . LEU   A 35  ? 0.5289 0.5671 0.2812 0.1637  0.0206  0.0170  78  LEU   A CB  
290  C CG  . LEU   A 35  ? 0.5231 0.5478 0.2728 0.1467  0.0255  0.0086  78  LEU   A CG  
291  C CD1 . LEU   A 35  ? 0.5101 0.5374 0.2896 0.1442  0.0451  0.0106  78  LEU   A CD1 
292  C CD2 . LEU   A 35  ? 0.5302 0.5249 0.2401 0.1506  0.0197  0.0104  78  LEU   A CD2 
293  N N   . ASP   A 36  ? 0.5109 0.6182 0.3490 0.1249  0.0192  -0.0096 79  ASP   A N   
294  C CA  . ASP   A 36  ? 0.5133 0.6402 0.3631 0.1068  0.0084  -0.0255 79  ASP   A CA  
295  C C   . ASP   A 36  ? 0.5143 0.6213 0.3457 0.0912  0.0092  -0.0346 79  ASP   A C   
296  O O   . ASP   A 36  ? 0.5026 0.5836 0.3181 0.0939  0.0185  -0.0289 79  ASP   A O   
297  C CB  . ASP   A 36  ? 0.5074 0.6659 0.4097 0.0975  0.0161  -0.0332 79  ASP   A CB  
298  C CG  . ASP   A 36  ? 0.4990 0.6514 0.4321 0.0869  0.0377  -0.0353 79  ASP   A CG  
299  O OD1 . ASP   A 36  ? 0.5007 0.6268 0.4141 0.0834  0.0441  -0.0345 79  ASP   A OD1 
300  O OD2 . ASP   A 36  ? 0.4973 0.6719 0.4758 0.0823  0.0482  -0.0379 79  ASP   A OD2 
301  N N   . GLU   A 37  ? 0.5230 0.6437 0.3573 0.0754  -0.0005 -0.0496 80  GLU   A N   
302  C CA  . GLU   A 37  ? 0.5339 0.6371 0.3479 0.0610  -0.0008 -0.0591 80  GLU   A CA  
303  C C   . GLU   A 37  ? 0.5203 0.6152 0.3605 0.0505  0.0182  -0.0635 80  GLU   A C   
304  O O   . GLU   A 37  ? 0.5229 0.5970 0.3443 0.0432  0.0217  -0.0671 80  GLU   A O   
305  C CB  . GLU   A 37  ? 0.5532 0.6757 0.3620 0.0494  -0.0167 -0.0736 80  GLU   A CB  
306  C CG  . GLU   A 37  ? 0.5712 0.6796 0.3587 0.0341  -0.0175 -0.0850 80  GLU   A CG  
307  C CD  . GLU   A 37  ? 0.5934 0.7230 0.3749 0.0236  -0.0329 -0.1000 80  GLU   A CD  
308  O OE1 . GLU   A 37  ? 0.6012 0.7478 0.4114 0.0083  -0.0297 -0.1167 80  GLU   A OE1 
309  O OE2 . GLU   A 37  ? 0.6244 0.7540 0.3727 0.0318  -0.0484 -0.0951 80  GLU   A OE2 
310  N N   . SER   A 38  ? 0.5146 0.6246 0.3973 0.0496  0.0310  -0.0631 81  SER   A N   
311  C CA  . SER   A 38  ? 0.5102 0.6109 0.4204 0.0416  0.0512  -0.0649 81  SER   A CA  
312  C C   . SER   A 38  ? 0.5078 0.5850 0.4053 0.0580  0.0636  -0.0471 81  SER   A C   
313  O O   . SER   A 38  ? 0.5067 0.5744 0.4242 0.0555  0.0811  -0.0449 81  SER   A O   
314  C CB  . SER   A 38  ? 0.5091 0.6345 0.4704 0.0336  0.0606  -0.0712 81  SER   A CB  
315  O OG  . SER   A 38  ? 0.5212 0.6700 0.4940 0.0187  0.0475  -0.0897 81  SER   A OG  
316  N N   . GLY   A 39  ? 0.5110 0.5781 0.3748 0.0743  0.0544  -0.0357 82  GLY   A N   
317  C CA  . GLY   A 39  ? 0.5132 0.5581 0.3593 0.0909  0.0631  -0.0208 82  GLY   A CA  
318  C C   . GLY   A 39  ? 0.5114 0.5649 0.3852 0.1029  0.0783  -0.0091 82  GLY   A C   
319  O O   . GLY   A 39  ? 0.5044 0.5409 0.3738 0.1122  0.0911  0.0004  82  GLY   A O   
320  N N   . ASP   A 40  ? 0.5156 0.5951 0.4166 0.1031  0.0769  -0.0099 83  ASP   A N   
321  C CA  . ASP   A 40  ? 0.5244 0.6151 0.4532 0.1153  0.0919  0.0020  83  ASP   A CA  
322  C C   . ASP   A 40  ? 0.5314 0.6260 0.4391 0.1351  0.0821  0.0122  83  ASP   A C   
323  O O   . ASP   A 40  ? 0.5339 0.6435 0.4351 0.1335  0.0645  0.0060  83  ASP   A O   
324  C CB  . ASP   A 40  ? 0.5286 0.6466 0.5090 0.1009  0.0998  -0.0066 83  ASP   A CB  
325  C CG  . ASP   A 40  ? 0.5350 0.6457 0.5371 0.0824  0.1115  -0.0166 83  ASP   A CG  
326  O OD1 . ASP   A 40  ? 0.5463 0.6321 0.5336 0.0860  0.1218  -0.0103 83  ASP   A OD1 
327  O OD2 . ASP   A 40  ? 0.5503 0.6803 0.5824 0.0646  0.1087  -0.0320 83  ASP   A OD2 
328  N N   . PHE   A 41  ? 0.5373 0.6191 0.4340 0.1542  0.0931  0.0272  84  PHE   A N   
329  C CA  . PHE   A 41  ? 0.5469 0.6328 0.4279 0.1748  0.0872  0.0373  84  PHE   A CA  
330  C C   . PHE   A 41  ? 0.5491 0.6658 0.4735 0.1768  0.0963  0.0401  84  PHE   A C   
331  O O   . PHE   A 41  ? 0.5475 0.6743 0.5109 0.1667  0.1134  0.0392  84  PHE   A O   
332  C CB  . PHE   A 41  ? 0.5505 0.6123 0.4029 0.1949  0.0958  0.0506  84  PHE   A CB  
333  C CG  . PHE   A 41  ? 0.5559 0.5888 0.3634 0.1980  0.0850  0.0489  84  PHE   A CG  
334  C CD1 . PHE   A 41  ? 0.5627 0.5866 0.3373 0.2073  0.0687  0.0489  84  PHE   A CD1 
335  C CD2 . PHE   A 41  ? 0.5512 0.5658 0.3520 0.1934  0.0932  0.0485  84  PHE   A CD2 
336  C CE1 . PHE   A 41  ? 0.5698 0.5681 0.3079 0.2074  0.0592  0.0459  84  PHE   A CE1 
337  C CE2 . PHE   A 41  ? 0.5582 0.5491 0.3217 0.1960  0.0832  0.0460  84  PHE   A CE2 
338  C CZ  . PHE   A 41  ? 0.5644 0.5469 0.2974 0.2027  0.0669  0.0447  84  PHE   A CZ  
339  N N   . SER   A 42  ? 0.5588 0.6902 0.4785 0.1886  0.0850  0.0426  85  SER   A N   
340  C CA  . SER   A 42  ? 0.5664 0.7284 0.5260 0.1938  0.0929  0.0463  85  SER   A CA  
341  C C   . SER   A 42  ? 0.5881 0.7485 0.5253 0.2191  0.0890  0.0579  85  SER   A C   
342  O O   . SER   A 42  ? 0.5940 0.7326 0.4847 0.2295  0.0737  0.0592  85  SER   A O   
343  C CB  . SER   A 42  ? 0.5634 0.7559 0.5537 0.1773  0.0808  0.0320  85  SER   A CB  
344  O OG  . SER   A 42  ? 0.5654 0.7574 0.5244 0.1795  0.0564  0.0264  85  SER   A OG  
345  N N   . LEU   A 43  ? 0.6095 0.7896 0.5789 0.2296  0.1053  0.0668  86  LEU   A N   
346  C CA  . LEU   A 43  ? 0.6388 0.8221 0.5927 0.2539  0.1025  0.0766  86  LEU   A CA  
347  C C   . LEU   A 43  ? 0.6519 0.8605 0.6149 0.2532  0.0823  0.0689  86  LEU   A C   
348  O O   . LEU   A 43  ? 0.6408 0.8824 0.6491 0.2422  0.0836  0.0624  86  LEU   A O   
349  C CB  . LEU   A 43  ? 0.6548 0.8509 0.6381 0.2660  0.1272  0.0889  86  LEU   A CB  
350  C CG  . LEU   A 43  ? 0.6708 0.8389 0.6322 0.2765  0.1460  0.1006  86  LEU   A CG  
351  C CD1 . LEU   A 43  ? 0.6842 0.8661 0.6709 0.2915  0.1702  0.1143  86  LEU   A CD1 
352  C CD2 . LEU   A 43  ? 0.6876 0.8246 0.5913 0.2923  0.1333  0.1032  86  LEU   A CD2 
353  N N   . VAL   A 44  ? 0.6902 0.8830 0.6116 0.2654  0.0645  0.0699  87  VAL   A N   
354  C CA  . VAL   A 44  ? 0.7225 0.9341 0.6428 0.2740  0.0457  0.0676  87  VAL   A CA  
355  C C   . VAL   A 44  ? 0.7725 0.9964 0.7048 0.2971  0.0566  0.0788  87  VAL   A C   
356  O O   . VAL   A 44  ? 0.8066 1.0050 0.7033 0.3157  0.0590  0.0873  87  VAL   A O   
357  C CB  . VAL   A 44  ? 0.7240 0.9065 0.5916 0.2797  0.0260  0.0667  87  VAL   A CB  
358  C CG1 . VAL   A 44  ? 0.7364 0.9338 0.5989 0.2932  0.0086  0.0675  87  VAL   A CG1 
359  C CG2 . VAL   A 44  ? 0.7147 0.8829 0.5670 0.2580  0.0169  0.0565  87  VAL   A CG2 
360  N N   . GLU   A 45  ? 0.8116 1.0730 0.7932 0.2960  0.0646  0.0784  88  GLU   A N   
361  C CA  . GLU   A 45  ? 0.8532 1.1263 0.8501 0.3174  0.0808  0.0901  88  GLU   A CA  
362  C C   . GLU   A 45  ? 0.8744 1.1678 0.8725 0.3335  0.0647  0.0902  88  GLU   A C   
363  O O   . GLU   A 45  ? 0.8960 1.1662 0.8530 0.3532  0.0577  0.0963  88  GLU   A O   
364  C CB  . GLU   A 45  ? 0.8758 1.1747 0.9275 0.3075  0.1043  0.0917  88  GLU   A CB  
365  C CG  . GLU   A 45  ? 0.8934 1.1661 0.9350 0.3076  0.1278  0.1007  88  GLU   A CG  
366  C CD  . GLU   A 45  ? 0.9189 1.1764 0.9368 0.3342  0.1429  0.1156  88  GLU   A CD  
367  O OE1 . GLU   A 45  ? 0.9381 1.1972 0.9373 0.3535  0.1329  0.1182  88  GLU   A OE1 
368  O OE2 . GLU   A 45  ? 0.9596 1.2031 0.9769 0.3365  0.1651  0.1246  88  GLU   A OE2 
369  N N   . GLY   B 7   ? 0.6583 0.7304 0.5053 0.0959  0.0654  -0.0717 16  GLY   B N   
370  C CA  . GLY   B 7   ? 0.6648 0.7274 0.5060 0.1017  0.0666  -0.0657 16  GLY   B CA  
371  C C   . GLY   B 7   ? 0.6594 0.7246 0.4935 0.1071  0.0614  -0.0670 16  GLY   B C   
372  O O   . GLY   B 7   ? 0.6729 0.7469 0.5074 0.1048  0.0561  -0.0728 16  GLY   B O   
373  N N   . GLU   B 8   ? 0.6475 0.7059 0.4754 0.1142  0.0626  -0.0617 17  GLU   B N   
374  C CA  . GLU   B 8   ? 0.6262 0.6854 0.4456 0.1207  0.0572  -0.0629 17  GLU   B CA  
375  C C   . GLU   B 8   ? 0.6015 0.6579 0.4192 0.1115  0.0524  -0.0654 17  GLU   B C   
376  O O   . GLU   B 8   ? 0.5976 0.6472 0.4158 0.1065  0.0551  -0.0618 17  GLU   B O   
377  C CB  . GLU   B 8   ? 0.6561 0.7099 0.4689 0.1327  0.0608  -0.0557 17  GLU   B CB  
378  C CG  . GLU   B 8   ? 0.6732 0.7298 0.4766 0.1429  0.0553  -0.0579 17  GLU   B CG  
379  C CD  . GLU   B 8   ? 0.7042 0.7574 0.5003 0.1566  0.0594  -0.0503 17  GLU   B CD  
380  O OE1 . GLU   B 8   ? 0.7155 0.7633 0.5149 0.1564  0.0669  -0.0421 17  GLU   B OE1 
381  O OE2 . GLU   B 8   ? 0.7364 0.7931 0.5238 0.1677  0.0548  -0.0525 17  GLU   B OE2 
382  N N   A THR   B 9   ? 0.5973 0.6582 0.4130 0.1093  0.0451  -0.0716 18  THR   B N   
383  N N   B THR   B 9   ? 0.5968 0.6579 0.4127 0.1092  0.0452  -0.0717 18  THR   B N   
384  N N   C THR   B 9   ? 0.5967 0.6579 0.4127 0.1092  0.0452  -0.0717 18  THR   B N   
385  N N   D THR   B 9   ? 0.5967 0.6579 0.4127 0.1092  0.0452  -0.0717 18  THR   B N   
386  N N   E THR   B 9   ? 0.5967 0.6579 0.4127 0.1092  0.0452  -0.0717 18  THR   B N   
387  C CA  A THR   B 9   ? 0.5913 0.6484 0.4054 0.0998  0.0398  -0.0744 18  THR   B CA  
388  C CA  B THR   B 9   ? 0.5900 0.6482 0.4047 0.0995  0.0395  -0.0749 18  THR   B CA  
389  C CA  C THR   B 9   ? 0.5897 0.6479 0.4044 0.0995  0.0395  -0.0749 18  THR   B CA  
390  C CA  D THR   B 9   ? 0.5897 0.6479 0.4044 0.0995  0.0395  -0.0749 18  THR   B CA  
391  C CA  E THR   B 9   ? 0.5897 0.6479 0.4044 0.0995  0.0395  -0.0749 18  THR   B CA  
392  C C   A THR   B 9   ? 0.5881 0.6438 0.3939 0.1059  0.0320  -0.0778 18  THR   B C   
393  C C   B THR   B 9   ? 0.5883 0.6425 0.3933 0.1063  0.0328  -0.0768 18  THR   B C   
394  C C   C THR   B 9   ? 0.5883 0.6425 0.3934 0.1063  0.0328  -0.0768 18  THR   B C   
395  C C   D THR   B 9   ? 0.5883 0.6425 0.3934 0.1063  0.0328  -0.0768 18  THR   B C   
396  C C   E THR   B 9   ? 0.5883 0.6425 0.3934 0.1063  0.0328  -0.0768 18  THR   B C   
397  O O   A THR   B 9   ? 0.5875 0.6410 0.3926 0.0980  0.0257  -0.0818 18  THR   B O   
398  O O   B THR   B 9   ? 0.5908 0.6393 0.3931 0.0997  0.0280  -0.0786 18  THR   B O   
399  O O   C THR   B 9   ? 0.5908 0.6394 0.3931 0.0997  0.0280  -0.0787 18  THR   B O   
400  O O   D THR   B 9   ? 0.5908 0.6394 0.3931 0.0997  0.0280  -0.0787 18  THR   B O   
401  O O   E THR   B 9   ? 0.5908 0.6394 0.3931 0.0997  0.0280  -0.0787 18  THR   B O   
402  C CB  A THR   B 9   ? 0.5881 0.6521 0.4106 0.0873  0.0383  -0.0787 18  THR   B CB  
403  C CB  B THR   B 9   ? 0.5868 0.6537 0.4092 0.0890  0.0363  -0.0806 18  THR   B CB  
404  C CB  C THR   B 9   ? 0.5868 0.6537 0.4092 0.0890  0.0363  -0.0806 18  THR   B CB  
405  C CB  D THR   B 9   ? 0.5868 0.6537 0.4092 0.0890  0.0363  -0.0806 18  THR   B CB  
406  C CB  E THR   B 9   ? 0.5868 0.6537 0.4092 0.0890  0.0363  -0.0806 18  THR   B CB  
407  O OG1 A THR   B 9   ? 0.5909 0.6581 0.4199 0.0865  0.0451  -0.0766 18  THR   B OG1 
408  O OG1 B THR   B 9   ? 0.5925 0.6693 0.4164 0.0948  0.0334  -0.0847 18  THR   B OG1 
409  O OG1 C THR   B 9   ? 0.5922 0.6689 0.4159 0.0949  0.0334  -0.0847 18  THR   B OG1 
410  O OG1 D THR   B 9   ? 0.5922 0.6689 0.4159 0.0949  0.0334  -0.0847 18  THR   B OG1 
411  O OG1 E THR   B 9   ? 0.5922 0.6689 0.4159 0.0949  0.0334  -0.0847 18  THR   B OG1 
412  C CG2 A THR   B 9   ? 0.5886 0.6469 0.4108 0.0761  0.0358  -0.0791 18  THR   B CG2 
413  C CG2 B THR   B 9   ? 0.5828 0.6527 0.4133 0.0813  0.0422  -0.0793 18  THR   B CG2 
414  C CG2 C THR   B 9   ? 0.5821 0.6520 0.4126 0.0813  0.0422  -0.0793 18  THR   B CG2 
415  C CG2 D THR   B 9   ? 0.5821 0.6520 0.4126 0.0813  0.0422  -0.0793 18  THR   B CG2 
416  C CG2 E THR   B 9   ? 0.5821 0.6520 0.4126 0.0813  0.0422  -0.0793 18  THR   B CG2 
417  N N   . THR   B 10  ? 0.5893 0.6457 0.3887 0.1197  0.0321  -0.0764 19  THR   B N   
418  C CA  . THR   B 10  ? 0.5711 0.6247 0.3606 0.1279  0.0248  -0.0794 19  THR   B CA  
419  C C   . THR   B 10  ? 0.5530 0.5957 0.3354 0.1275  0.0248  -0.0757 19  THR   B C   
420  O O   . THR   B 10  ? 0.5556 0.5950 0.3392 0.1277  0.0324  -0.0688 19  THR   B O   
421  C CB  . THR   B 10  ? 0.5771 0.6347 0.3604 0.1444  0.0260  -0.0777 19  THR   B CB  
422  O OG1 . THR   B 10  ? 0.5787 0.6458 0.3686 0.1457  0.0284  -0.0792 19  THR   B OG1 
423  C CG2 . THR   B 10  ? 0.5896 0.6469 0.3636 0.1526  0.0168  -0.0834 19  THR   B CG2 
424  N N   A ASP   B 11  ? 0.5549 0.5924 0.3313 0.1257  0.0163  -0.0806 20  ASP   B N   
425  N N   B ASP   B 11  ? 0.5549 0.5924 0.3313 0.1257  0.0163  -0.0806 20  ASP   B N   
426  N N   C ASP   B 11  ? 0.5555 0.5930 0.3318 0.1259  0.0163  -0.0806 20  ASP   B N   
427  N N   D ASP   B 11  ? 0.5555 0.5930 0.3318 0.1259  0.0163  -0.0806 20  ASP   B N   
428  N N   E ASP   B 11  ? 0.5555 0.5930 0.3318 0.1259  0.0163  -0.0806 20  ASP   B N   
429  C CA  A ASP   B 11  ? 0.5569 0.5841 0.3237 0.1288  0.0146  -0.0783 20  ASP   B CA  
430  C CA  B ASP   B 11  ? 0.5569 0.5841 0.3237 0.1288  0.0146  -0.0783 20  ASP   B CA  
431  C CA  C ASP   B 11  ? 0.5568 0.5840 0.3235 0.1290  0.0145  -0.0783 20  ASP   B CA  
432  C CA  D ASP   B 11  ? 0.5568 0.5840 0.3235 0.1290  0.0145  -0.0783 20  ASP   B CA  
433  C CA  E ASP   B 11  ? 0.5568 0.5840 0.3235 0.1290  0.0145  -0.0783 20  ASP   B CA  
434  C C   A ASP   B 11  ? 0.5586 0.5863 0.3181 0.1442  0.0200  -0.0718 20  ASP   B C   
435  C C   B ASP   B 11  ? 0.5586 0.5863 0.3181 0.1442  0.0200  -0.0718 20  ASP   B C   
436  C C   C ASP   B 11  ? 0.5575 0.5852 0.3171 0.1441  0.0201  -0.0717 20  ASP   B C   
437  C C   D ASP   B 11  ? 0.5575 0.5852 0.3171 0.1441  0.0201  -0.0717 20  ASP   B C   
438  C C   E ASP   B 11  ? 0.5575 0.5852 0.3171 0.1441  0.0201  -0.0717 20  ASP   B C   
439  O O   A ASP   B 11  ? 0.5595 0.5944 0.3186 0.1544  0.0217  -0.0713 20  ASP   B O   
440  O O   B ASP   B 11  ? 0.5595 0.5944 0.3186 0.1544  0.0217  -0.0713 20  ASP   B O   
441  O O   C ASP   B 11  ? 0.5572 0.5919 0.3163 0.1542  0.0219  -0.0711 20  ASP   B O   
442  O O   D ASP   B 11  ? 0.5572 0.5919 0.3163 0.1542  0.0219  -0.0711 20  ASP   B O   
443  O O   E ASP   B 11  ? 0.5572 0.5919 0.3163 0.1542  0.0219  -0.0711 20  ASP   B O   
444  C CB  A ASP   B 11  ? 0.5678 0.5889 0.3270 0.1290  0.0032  -0.0855 20  ASP   B CB  
445  C CB  B ASP   B 11  ? 0.5678 0.5889 0.3270 0.1290  0.0032  -0.0855 20  ASP   B CB  
446  C CB  C ASP   B 11  ? 0.5679 0.5890 0.3266 0.1299  0.0033  -0.0854 20  ASP   B CB  
447  C CB  D ASP   B 11  ? 0.5679 0.5890 0.3266 0.1299  0.0033  -0.0854 20  ASP   B CB  
448  C CB  E ASP   B 11  ? 0.5679 0.5890 0.3266 0.1299  0.0033  -0.0854 20  ASP   B CB  
449  C CG  A ASP   B 11  ? 0.5660 0.5855 0.3324 0.1132  -0.0020 -0.0906 20  ASP   B CG  
450  C CG  B ASP   B 11  ? 0.5660 0.5855 0.3324 0.1132  -0.0020 -0.0906 20  ASP   B CG  
451  C CG  C ASP   B 11  ? 0.5665 0.5821 0.3297 0.1143  -0.0015 -0.0891 20  ASP   B CG  
452  C CG  D ASP   B 11  ? 0.5665 0.5821 0.3297 0.1143  -0.0015 -0.0891 20  ASP   B CG  
453  C CG  E ASP   B 11  ? 0.5665 0.5821 0.3297 0.1143  -0.0015 -0.0891 20  ASP   B CG  
454  O OD1 A ASP   B 11  ? 0.5521 0.5750 0.3281 0.1022  0.0035  -0.0881 20  ASP   B OD1 
455  O OD1 B ASP   B 11  ? 0.5521 0.5750 0.3281 0.1022  0.0035  -0.0881 20  ASP   B OD1 
456  O OD1 C ASP   B 11  ? 0.5552 0.5766 0.3297 0.1025  0.0023  -0.0885 20  ASP   B OD1 
457  O OD1 D ASP   B 11  ? 0.5552 0.5766 0.3297 0.1025  0.0023  -0.0885 20  ASP   B OD1 
458  O OD1 E ASP   B 11  ? 0.5552 0.5766 0.3297 0.1025  0.0023  -0.0885 20  ASP   B OD1 
459  O OD2 A ASP   B 11  ? 0.5731 0.5880 0.3355 0.1121  -0.0119 -0.0970 20  ASP   B OD2 
460  O OD2 B ASP   B 11  ? 0.5731 0.5880 0.3355 0.1121  -0.0119 -0.0970 20  ASP   B OD2 
461  O OD2 C ASP   B 11  ? 0.5745 0.5797 0.3291 0.1147  -0.0092 -0.0922 20  ASP   B OD2 
462  O OD2 D ASP   B 11  ? 0.5745 0.5797 0.3291 0.1147  -0.0092 -0.0922 20  ASP   B OD2 
463  O OD2 E ASP   B 11  ? 0.5745 0.5797 0.3291 0.1147  -0.0092 -0.0922 20  ASP   B OD2 
464  N N   . GLY   B 12  ? 0.5552 0.5765 0.3097 0.1457  0.0230  -0.0665 21  GLY   B N   
465  C CA  . GLY   B 12  ? 0.5476 0.5701 0.2951 0.1601  0.0282  -0.0594 21  GLY   B CA  
466  C C   . GLY   B 12  ? 0.5310 0.5517 0.2824 0.1562  0.0362  -0.0514 21  GLY   B C   
467  O O   . GLY   B 12  ? 0.5156 0.5332 0.2738 0.1429  0.0370  -0.0522 21  GLY   B O   
468  N N   A VAL   B 13  ? 0.5274 0.5509 0.2749 0.1678  0.0422  -0.0435 22  VAL   B N   
469  N N   B VAL   B 13  ? 0.5274 0.5509 0.2749 0.1678  0.0422  -0.0435 22  VAL   B N   
470  N N   C VAL   B 13  ? 0.5302 0.5538 0.2780 0.1677  0.0423  -0.0435 22  VAL   B N   
471  N N   D VAL   B 13  ? 0.5302 0.5538 0.2780 0.1677  0.0423  -0.0435 22  VAL   B N   
472  N N   E VAL   B 13  ? 0.5302 0.5538 0.2780 0.1677  0.0423  -0.0435 22  VAL   B N   
473  C CA  A VAL   B 13  ? 0.5198 0.5434 0.2711 0.1663  0.0501  -0.0349 22  VAL   B CA  
474  C CA  B VAL   B 13  ? 0.5198 0.5434 0.2711 0.1663  0.0501  -0.0349 22  VAL   B CA  
475  C CA  C VAL   B 13  ? 0.5230 0.5470 0.2759 0.1653  0.0507  -0.0347 22  VAL   B CA  
476  C CA  D VAL   B 13  ? 0.5230 0.5470 0.2759 0.1653  0.0507  -0.0347 22  VAL   B CA  
477  C CA  E VAL   B 13  ? 0.5230 0.5470 0.2759 0.1653  0.0507  -0.0347 22  VAL   B CA  
478  C C   A VAL   B 13  ? 0.5126 0.5410 0.2748 0.1652  0.0594  -0.0280 22  VAL   B C   
479  C C   B VAL   B 13  ? 0.5126 0.5410 0.2748 0.1652  0.0594  -0.0280 22  VAL   B C   
480  C C   C VAL   B 13  ? 0.5159 0.5443 0.2803 0.1628  0.0593  -0.0291 22  VAL   B C   
481  C C   D VAL   B 13  ? 0.5159 0.5443 0.2803 0.1628  0.0593  -0.0291 22  VAL   B C   
482  C C   E VAL   B 13  ? 0.5159 0.5443 0.2803 0.1628  0.0593  -0.0291 22  VAL   B C   
483  O O   A VAL   B 13  ? 0.5168 0.5493 0.2772 0.1751  0.0615  -0.0258 22  VAL   B O   
484  O O   B VAL   B 13  ? 0.5168 0.5493 0.2772 0.1751  0.0615  -0.0258 22  VAL   B O   
485  O O   C VAL   B 13  ? 0.5176 0.5497 0.2815 0.1698  0.0599  -0.0293 22  VAL   B O   
486  O O   D VAL   B 13  ? 0.5176 0.5497 0.2815 0.1698  0.0599  -0.0293 22  VAL   B O   
487  O O   E VAL   B 13  ? 0.5176 0.5497 0.2815 0.1698  0.0599  -0.0293 22  VAL   B O   
488  C CB  A VAL   B 13  ? 0.5284 0.5525 0.2677 0.1801  0.0499  -0.0305 22  VAL   B CB  
489  C CB  B VAL   B 13  ? 0.5284 0.5525 0.2677 0.1801  0.0499  -0.0305 22  VAL   B CB  
490  C CB  C VAL   B 13  ? 0.5317 0.5570 0.2742 0.1790  0.0523  -0.0288 22  VAL   B CB  
491  C CB  D VAL   B 13  ? 0.5317 0.5570 0.2742 0.1790  0.0523  -0.0288 22  VAL   B CB  
492  C CB  E VAL   B 13  ? 0.5317 0.5570 0.2742 0.1790  0.0523  -0.0288 22  VAL   B CB  
493  C CG1 A VAL   B 13  ? 0.5362 0.5666 0.2702 0.1961  0.0533  -0.0255 22  VAL   B CG1 
494  C CG1 B VAL   B 13  ? 0.5362 0.5666 0.2702 0.1961  0.0533  -0.0255 22  VAL   B CG1 
495  C CG1 C VAL   B 13  ? 0.5400 0.5712 0.2767 0.1948  0.0549  -0.0247 22  VAL   B CG1 
496  C CG1 D VAL   B 13  ? 0.5400 0.5712 0.2767 0.1948  0.0549  -0.0247 22  VAL   B CG1 
497  C CG1 E VAL   B 13  ? 0.5400 0.5712 0.2767 0.1948  0.0549  -0.0247 22  VAL   B CG1 
498  C CG2 A VAL   B 13  ? 0.5237 0.5482 0.2663 0.1771  0.0557  -0.0234 22  VAL   B CG2 
499  C CG2 B VAL   B 13  ? 0.5237 0.5482 0.2663 0.1771  0.0557  -0.0234 22  VAL   B CG2 
500  C CG2 C VAL   B 13  ? 0.5263 0.5532 0.2750 0.1752  0.0599  -0.0204 22  VAL   B CG2 
501  C CG2 D VAL   B 13  ? 0.5263 0.5532 0.2750 0.1752  0.0599  -0.0204 22  VAL   B CG2 
502  C CG2 E VAL   B 13  ? 0.5263 0.5532 0.2750 0.1752  0.0599  -0.0204 22  VAL   B CG2 
503  N N   A TYR   B 14  ? 0.5015 0.5289 0.2745 0.1537  0.0643  -0.0252 23  TYR   B N   
504  N N   B TYR   B 14  ? 0.5015 0.5289 0.2745 0.1537  0.0643  -0.0252 23  TYR   B N   
505  N N   C TYR   B 14  ? 0.5057 0.5334 0.2800 0.1533  0.0650  -0.0248 23  TYR   B N   
506  N N   D TYR   B 14  ? 0.5057 0.5334 0.2800 0.1533  0.0650  -0.0248 23  TYR   B N   
507  N N   E TYR   B 14  ? 0.5057 0.5334 0.2800 0.1533  0.0650  -0.0248 23  TYR   B N   
508  C CA  A TYR   B 14  ? 0.4975 0.5271 0.2826 0.1497  0.0722  -0.0199 23  TYR   B CA  
509  C CA  B TYR   B 14  ? 0.4975 0.5271 0.2826 0.1497  0.0722  -0.0199 23  TYR   B CA  
510  C CA  C TYR   B 14  ? 0.5009 0.5304 0.2876 0.1481  0.0723  -0.0204 23  TYR   B CA  
511  C CA  D TYR   B 14  ? 0.5009 0.5304 0.2876 0.1481  0.0723  -0.0204 23  TYR   B CA  
512  C CA  E TYR   B 14  ? 0.5009 0.5304 0.2876 0.1481  0.0723  -0.0204 23  TYR   B CA  
513  C C   A TYR   B 14  ? 0.4975 0.5281 0.2874 0.1500  0.0794  -0.0103 23  TYR   B C   
514  C C   B TYR   B 14  ? 0.4975 0.5281 0.2874 0.1500  0.0794  -0.0103 23  TYR   B C   
515  C C   C TYR   B 14  ? 0.4978 0.5277 0.2910 0.1456  0.0793  -0.0118 23  TYR   B C   
516  C C   D TYR   B 14  ? 0.4978 0.5277 0.2910 0.1456  0.0793  -0.0118 23  TYR   B C   
517  C C   E TYR   B 14  ? 0.4978 0.5277 0.2910 0.1456  0.0793  -0.0118 23  TYR   B C   
518  O O   A TYR   B 14  ? 0.4965 0.5261 0.2836 0.1471  0.0777  -0.0101 23  TYR   B O   
519  O O   B TYR   B 14  ? 0.4965 0.5261 0.2836 0.1471  0.0777  -0.0101 23  TYR   B O   
520  O O   C TYR   B 14  ? 0.4976 0.5263 0.2893 0.1420  0.0780  -0.0119 23  TYR   B O   
521  O O   D TYR   B 14  ? 0.4976 0.5263 0.2893 0.1420  0.0780  -0.0119 23  TYR   B O   
522  O O   E TYR   B 14  ? 0.4976 0.5263 0.2893 0.1420  0.0780  -0.0119 23  TYR   B O   
523  C CB  A TYR   B 14  ? 0.4888 0.5167 0.2828 0.1360  0.0704  -0.0264 23  TYR   B CB  
524  C CB  B TYR   B 14  ? 0.4888 0.5167 0.2828 0.1360  0.0704  -0.0264 23  TYR   B CB  
525  C CB  C TYR   B 14  ? 0.4929 0.5208 0.2877 0.1347  0.0700  -0.0274 23  TYR   B CB  
526  C CB  D TYR   B 14  ? 0.4929 0.5208 0.2877 0.1347  0.0700  -0.0274 23  TYR   B CB  
527  C CB  E TYR   B 14  ? 0.4929 0.5208 0.2877 0.1347  0.0700  -0.0274 23  TYR   B CB  
528  C CG  A TYR   B 14  ? 0.4923 0.5221 0.2836 0.1371  0.0648  -0.0340 23  TYR   B CG  
529  C CG  B TYR   B 14  ? 0.4923 0.5221 0.2836 0.1371  0.0648  -0.0340 23  TYR   B CG  
530  C CG  C TYR   B 14  ? 0.4963 0.5263 0.2888 0.1357  0.0645  -0.0349 23  TYR   B CG  
531  C CG  D TYR   B 14  ? 0.4963 0.5263 0.2888 0.1357  0.0645  -0.0349 23  TYR   B CG  
532  C CG  E TYR   B 14  ? 0.4963 0.5263 0.2888 0.1357  0.0645  -0.0349 23  TYR   B CG  
533  C CD1 A TYR   B 14  ? 0.4975 0.5263 0.2797 0.1393  0.0565  -0.0404 23  TYR   B CD1 
534  C CD1 B TYR   B 14  ? 0.4975 0.5263 0.2797 0.1393  0.0565  -0.0404 23  TYR   B CD1 
535  C CD1 C TYR   B 14  ? 0.5011 0.5301 0.2852 0.1367  0.0562  -0.0417 23  TYR   B CD1 
536  C CD1 D TYR   B 14  ? 0.5011 0.5301 0.2852 0.1367  0.0562  -0.0417 23  TYR   B CD1 
537  C CD1 E TYR   B 14  ? 0.5011 0.5301 0.2852 0.1367  0.0562  -0.0417 23  TYR   B CD1 
538  C CD2 A TYR   B 14  ? 0.4921 0.5248 0.2899 0.1367  0.0674  -0.0347 23  TYR   B CD2 
539  C CD2 B TYR   B 14  ? 0.4921 0.5248 0.2899 0.1367  0.0674  -0.0347 23  TYR   B CD2 
540  C CD2 C TYR   B 14  ? 0.4959 0.5288 0.2949 0.1354  0.0674  -0.0354 23  TYR   B CD2 
541  C CD2 D TYR   B 14  ? 0.4959 0.5288 0.2949 0.1354  0.0674  -0.0354 23  TYR   B CD2 
542  C CD2 E TYR   B 14  ? 0.4959 0.5288 0.2949 0.1354  0.0674  -0.0354 23  TYR   B CD2 
543  C CE1 A TYR   B 14  ? 0.5008 0.5325 0.2825 0.1389  0.0510  -0.0475 23  TYR   B CE1 
544  C CE1 B TYR   B 14  ? 0.5008 0.5325 0.2825 0.1389  0.0510  -0.0475 23  TYR   B CE1 
545  C CE1 C TYR   B 14  ? 0.5048 0.5371 0.2884 0.1368  0.0509  -0.0486 23  TYR   B CE1 
546  C CE1 D TYR   B 14  ? 0.5048 0.5371 0.2884 0.1368  0.0509  -0.0486 23  TYR   B CE1 
547  C CE1 E TYR   B 14  ? 0.5048 0.5371 0.2884 0.1368  0.0509  -0.0486 23  TYR   B CE1 
548  C CE2 A TYR   B 14  ? 0.4946 0.5311 0.2908 0.1377  0.0623  -0.0417 23  TYR   B CE2 
549  C CE2 B TYR   B 14  ? 0.4946 0.5311 0.2908 0.1377  0.0623  -0.0417 23  TYR   B CE2 
550  C CE2 C TYR   B 14  ? 0.4984 0.5353 0.2962 0.1363  0.0625  -0.0423 23  TYR   B CE2 
551  C CE2 D TYR   B 14  ? 0.4984 0.5353 0.2962 0.1363  0.0625  -0.0423 23  TYR   B CE2 
552  C CE2 E TYR   B 14  ? 0.4984 0.5353 0.2962 0.1363  0.0625  -0.0423 23  TYR   B CE2 
553  C CZ  A TYR   B 14  ? 0.4991 0.5356 0.2878 0.1385  0.0541  -0.0480 23  TYR   B CZ  
554  C CZ  B TYR   B 14  ? 0.4991 0.5356 0.2878 0.1385  0.0541  -0.0480 23  TYR   B CZ  
555  C CZ  C TYR   B 14  ? 0.5029 0.5401 0.2936 0.1367  0.0542  -0.0488 23  TYR   B CZ  
556  C CZ  D TYR   B 14  ? 0.5029 0.5401 0.2936 0.1367  0.0542  -0.0488 23  TYR   B CZ  
557  C CZ  E TYR   B 14  ? 0.5029 0.5401 0.2936 0.1367  0.0542  -0.0488 23  TYR   B CZ  
558  O OH  A TYR   B 14  ? 0.5049 0.5462 0.2930 0.1394  0.0486  -0.0549 23  TYR   B OH  
559  O OH  B TYR   B 14  ? 0.5049 0.5462 0.2930 0.1394  0.0486  -0.0549 23  TYR   B OH  
560  O OH  C TYR   B 14  ? 0.5087 0.5512 0.2995 0.1373  0.0491  -0.0556 23  TYR   B OH  
561  O OH  D TYR   B 14  ? 0.5087 0.5512 0.2995 0.1373  0.0491  -0.0556 23  TYR   B OH  
562  O OH  E TYR   B 14  ? 0.5087 0.5512 0.2995 0.1373  0.0491  -0.0556 23  TYR   B OH  
563  N N   . ARG   B 15  ? 0.4976 0.5296 0.2969 0.1501  0.0869  -0.0036 24  ARG   B N   
564  C CA  . ARG   B 15  ? 0.4951 0.5280 0.3041 0.1460  0.0940  0.0047  24  ARG   B CA  
565  C C   . ARG   B 15  ? 0.4846 0.5140 0.3054 0.1312  0.0940  0.0003  24  ARG   B C   
566  O O   . ARG   B 15  ? 0.4795 0.5070 0.3028 0.1278  0.0921  -0.0052 24  ARG   B O   
567  C CB  . ARG   B 15  ? 0.5033 0.5385 0.3158 0.1544  0.1016  0.0148  24  ARG   B CB  
568  C CG  . ARG   B 15  ? 0.5151 0.5548 0.3152 0.1706  0.1020  0.0194  24  ARG   B CG  
569  C CD  . ARG   B 15  ? 0.5228 0.5634 0.3281 0.1768  0.1099  0.0291  24  ARG   B CD  
570  N NE  . ARG   B 15  ? 0.5310 0.5765 0.3237 0.1936  0.1104  0.0333  24  ARG   B NE  
571  C CZ  . ARG   B 15  ? 0.5370 0.5887 0.3246 0.2033  0.1143  0.0420  24  ARG   B CZ  
572  N NH1 . ARG   B 15  ? 0.5286 0.5832 0.3235 0.1980  0.1184  0.0483  24  ARG   B NH1 
573  N NH2 . ARG   B 15  ? 0.5495 0.6056 0.3242 0.2194  0.1137  0.0442  24  ARG   B NH2 
574  N N   . VAL   B 16  ? 0.4861 0.5159 0.3142 0.1240  0.0964  0.0032  25  VAL   B N   
575  C CA  . VAL   B 16  ? 0.4822 0.5093 0.3225 0.1111  0.0973  0.0003  25  VAL   B CA  
576  C C   . VAL   B 16  ? 0.4896 0.5171 0.3419 0.1102  0.1047  0.0094  25  VAL   B C   
577  O O   . VAL   B 16  ? 0.4914 0.5230 0.3456 0.1129  0.1083  0.0169  25  VAL   B O   
578  C CB  . VAL   B 16  ? 0.4774 0.5046 0.3167 0.1029  0.0932  -0.0046 25  VAL   B CB  
579  C CG1 . VAL   B 16  ? 0.4723 0.4972 0.3226 0.0907  0.0933  -0.0089 25  VAL   B CG1 
580  C CG2 . VAL   B 16  ? 0.4770 0.5027 0.3037 0.1047  0.0859  -0.0120 25  VAL   B CG2 
581  N N   . MET   B 17  ? 0.5117 0.5350 0.3721 0.1067  0.1068  0.0086  26  MET   B N   
582  C CA  . MET   B 17  ? 0.5319 0.5528 0.4037 0.1064  0.1134  0.0171  26  MET   B CA  
583  C C   . MET   B 17  ? 0.5409 0.5574 0.4254 0.0940  0.1130  0.0128  26  MET   B C   
584  O O   . MET   B 17  ? 0.5235 0.5384 0.4062 0.0883  0.1080  0.0030  26  MET   B O   
585  C CB  . MET   B 17  ? 0.5451 0.5628 0.4139 0.1146  0.1156  0.0192  26  MET   B CB  
586  C CG  . MET   B 17  ? 0.5573 0.5793 0.4123 0.1279  0.1149  0.0214  26  MET   B CG  
587  S SD  . MET   B 17  ? 0.5687 0.5977 0.4197 0.1378  0.1199  0.0336  26  MET   B SD  
588  C CE  . MET   B 17  ? 0.5819 0.6082 0.4479 0.1359  0.1293  0.0464  26  MET   B CE  
589  N N   . THR   B 18  ? 0.5642 0.5792 0.4612 0.0903  0.1178  0.0200  27  THR   B N   
590  C CA  . THR   B 18  ? 0.6025 0.6116 0.5128 0.0799  0.1176  0.0168  27  THR   B CA  
591  C C   . THR   B 18  ? 0.6444 0.6470 0.5641 0.0818  0.1233  0.0253  27  THR   B C   
592  O O   . THR   B 18  ? 0.6212 0.6268 0.5411 0.0885  0.1287  0.0365  27  THR   B O   
593  C CB  . THR   B 18  ? 0.5969 0.6101 0.5153 0.0711  0.1165  0.0159  27  THR   B CB  
594  O OG1 . THR   B 18  ? 0.5998 0.6068 0.5291 0.0618  0.1147  0.0103  27  THR   B OG1 
595  C CG2 . THR   B 18  ? 0.5973 0.6161 0.5225 0.0728  0.1218  0.0274  27  THR   B CG2 
596  N N   . ARG   B 19  ? 0.6921 0.6861 0.6196 0.0761  0.1221  0.0206  28  ARG   B N   
597  C CA  . ARG   B 19  ? 0.7580 0.7432 0.6970 0.0752  0.1267  0.0281  28  ARG   B CA  
598  C C   . ARG   B 19  ? 0.7759 0.7583 0.7309 0.0634  0.1260  0.0272  28  ARG   B C   
599  O O   . ARG   B 19  ? 0.7789 0.7528 0.7454 0.0607  0.1290  0.0329  28  ARG   B O   
600  C CB  . ARG   B 19  ? 0.7958 0.7723 0.7303 0.0800  0.1258  0.0240  28  ARG   B CB  
601  C CG  . ARG   B 19  ? 0.8309 0.8112 0.7514 0.0924  0.1273  0.0269  28  ARG   B CG  
602  C CD  . ARG   B 19  ? 0.8682 0.8399 0.7883 0.1001  0.1313  0.0329  28  ARG   B CD  
603  N NE  . ARG   B 19  ? 0.8921 0.8681 0.7979 0.1120  0.1310  0.0324  28  ARG   B NE  
604  C CZ  . ARG   B 19  ? 0.9078 0.8864 0.8051 0.1141  0.1258  0.0218  28  ARG   B CZ  
605  N NH1 . ARG   B 19  ? 0.9318 0.9093 0.8324 0.1054  0.1209  0.0113  28  ARG   B NH1 
606  N NH2 . ARG   B 19  ? 0.9201 0.9033 0.8056 0.1250  0.1254  0.0219  28  ARG   B NH2 
607  N N   . ARG   B 20  ? 0.8124 0.8018 0.7685 0.0569  0.1222  0.0213  29  ARG   B N   
608  C CA  . ARG   B 20  ? 0.8562 0.8436 0.8267 0.0456  0.1199  0.0177  29  ARG   B CA  
609  C C   . ARG   B 20  ? 0.8497 0.8408 0.8334 0.0427  0.1250  0.0296  29  ARG   B C   
610  O O   . ARG   B 20  ? 0.8609 0.8535 0.8576 0.0334  0.1231  0.0277  29  ARG   B O   
611  C CB  . ARG   B 20  ? 0.8888 0.8833 0.8543 0.0409  0.1142  0.0076  29  ARG   B CB  
612  C CG  . ARG   B 20  ? 0.9440 0.9337 0.9184 0.0317  0.1094  -0.0020 29  ARG   B CG  
613  C CD  . ARG   B 20  ? 0.9992 0.9974 0.9696 0.0274  0.1048  -0.0096 29  ARG   B CD  
614  N NE  . ARG   B 20  ? 1.0479 1.0561 1.0186 0.0282  0.1071  -0.0024 29  ARG   B NE  
615  C CZ  . ARG   B 20  ? 1.0822 1.0946 1.0665 0.0232  0.1090  0.0031  29  ARG   B CZ  
616  N NH1 . ARG   B 20  ? 1.0956 1.1018 1.0952 0.0162  0.1084  0.0022  29  ARG   B NH1 
617  N NH2 . ARG   B 20  ? 1.0841 1.1070 1.0667 0.0255  0.1112  0.0094  29  ARG   B NH2 
618  N N   . LEU   B 21  ? 0.8182 0.8121 0.7990 0.0508  0.1311  0.0414  30  LEU   B N   
619  C CA  . LEU   B 21  ? 0.7907 0.7913 0.7821 0.0503  0.1373  0.0550  30  LEU   B CA  
620  C C   . LEU   B 21  ? 0.7683 0.7621 0.7608 0.0571  0.1438  0.0666  30  LEU   B C   
621  O O   . LEU   B 21  ? 0.7655 0.7482 0.7526 0.0603  0.1425  0.0623  30  LEU   B O   
622  C CB  . LEU   B 21  ? 0.7813 0.7966 0.7628 0.0559  0.1379  0.0573  30  LEU   B CB  
623  C CG  . LEU   B 21  ? 0.7897 0.8151 0.7797 0.0481  0.1359  0.0557  30  LEU   B CG  
624  C CD1 . LEU   B 21  ? 0.7900 0.8103 0.7855 0.0378  0.1289  0.0426  30  LEU   B CD1 
625  C CD2 . LEU   B 21  ? 0.7878 0.8251 0.7636 0.0555  0.1350  0.0554  30  LEU   B CD2 
626  N N   . LEU   B 22  ? 0.7558 0.7567 0.7552 0.0595  0.1508  0.0809  31  LEU   B N   
627  C CA  . LEU   B 22  ? 0.7459 0.7413 0.7461 0.0668  0.1580  0.0940  31  LEU   B CA  
628  C C   . LEU   B 22  ? 0.7358 0.7325 0.7152 0.0810  0.1583  0.0928  31  LEU   B C   
629  O O   . LEU   B 22  ? 0.7371 0.7446 0.7048 0.0858  0.1559  0.0888  31  LEU   B O   
630  C CB  . LEU   B 22  ? 0.7432 0.7497 0.7544 0.0665  0.1655  0.1098  31  LEU   B CB  
631  C CG  . LEU   B 22  ? 0.7492 0.7506 0.7639 0.0727  0.1739  0.1253  31  LEU   B CG  
632  C CD1 . LEU   B 22  ? 0.7525 0.7377 0.7848 0.0623  0.1742  0.1274  31  LEU   B CD1 
633  C CD2 . LEU   B 22  ? 0.7423 0.7601 0.7609 0.0774  0.1817  0.1409  31  LEU   B CD2 
634  N N   . GLY   B 23  ? 0.7262 0.7121 0.7009 0.0875  0.1604  0.0955  32  GLY   B N   
635  C CA  . GLY   B 23  ? 0.7076 0.6946 0.6632 0.1011  0.1599  0.0932  32  GLY   B CA  
636  C C   . GLY   B 23  ? 0.6886 0.6797 0.6319 0.1010  0.1519  0.0779  32  GLY   B C   
637  O O   . GLY   B 23  ? 0.6807 0.6684 0.6298 0.0906  0.1464  0.0673  32  GLY   B O   
638  N N   . SER   B 24  ? 0.6748 0.6727 0.6017 0.1125  0.1510  0.0767  33  SER   B N   
639  C CA  . SER   B 24  ? 0.6507 0.6538 0.5652 0.1134  0.1438  0.0640  33  SER   B CA  
640  C C   . SER   B 24  ? 0.6303 0.6457 0.5404 0.1159  0.1441  0.0673  33  SER   B C   
641  O O   . SER   B 24  ? 0.6240 0.6455 0.5293 0.1260  0.1491  0.0776  33  SER   B O   
642  C CB  . SER   B 24  ? 0.6516 0.6531 0.5517 0.1240  0.1416  0.0596  33  SER   B CB  
643  O OG  . SER   B 24  ? 0.6754 0.6663 0.5791 0.1211  0.1402  0.0543  33  SER   B OG  
644  N N   . THR   B 25  ? 0.5962 0.6153 0.5082 0.1075  0.1393  0.0595  34  THR   B N   
645  C CA  . THR   B 25  ? 0.5858 0.6161 0.4952 0.1090  0.1396  0.0628  34  THR   B CA  
646  C C   . THR   B 25  ? 0.5664 0.5995 0.4606 0.1121  0.1326  0.0522  34  THR   B C   
647  O O   . THR   B 25  ? 0.5443 0.5724 0.4381 0.1046  0.1268  0.0410  34  THR   B O   
648  C CB  . THR   B 25  ? 0.5894 0.6224 0.5146 0.0970  0.1404  0.0641  34  THR   B CB  
649  O OG1 . THR   B 25  ? 0.6061 0.6350 0.5463 0.0934  0.1464  0.0739  34  THR   B OG1 
650  C CG2 . THR   B 25  ? 0.5837 0.6294 0.5064 0.0998  0.1412  0.0685  34  THR   B CG2 
651  N N   . GLN   B 26  ? 0.5499 0.5906 0.4321 0.1229  0.1328  0.0558  35  GLN   B N   
652  C CA  . GLN   B 26  ? 0.5404 0.5826 0.4079 0.1259  0.1256  0.0461  35  GLN   B CA  
653  C C   . GLN   B 26  ? 0.5333 0.5798 0.4040 0.1184  0.1230  0.0432  35  GLN   B C   
654  O O   . GLN   B 26  ? 0.5426 0.5977 0.4148 0.1222  0.1266  0.0512  35  GLN   B O   
655  C CB  . GLN   B 26  ? 0.5367 0.5841 0.3889 0.1412  0.1255  0.0495  35  GLN   B CB  
656  C CG  . GLN   B 26  ? 0.5277 0.5739 0.3651 0.1438  0.1170  0.0386  35  GLN   B CG  
657  C CD  . GLN   B 26  ? 0.5312 0.5816 0.3533 0.1598  0.1162  0.0411  35  GLN   B CD  
658  O OE1 . GLN   B 26  ? 0.5403 0.5898 0.3591 0.1682  0.1186  0.0443  35  GLN   B OE1 
659  N NE2 . GLN   B 26  ? 0.5232 0.5775 0.3343 0.1652  0.1121  0.0389  35  GLN   B NE2 
660  N N   . VAL   B 27  ? 0.5273 0.5691 0.3995 0.1084  0.1174  0.0327  36  VAL   B N   
661  C CA  . VAL   B 27  ? 0.5138 0.5589 0.3877 0.1013  0.1143  0.0288  36  VAL   B CA  
662  C C   . VAL   B 27  ? 0.5058 0.5526 0.3634 0.1079  0.1089  0.0242  36  VAL   B C   
663  O O   . VAL   B 27  ? 0.5060 0.5576 0.3623 0.1066  0.1075  0.0243  36  VAL   B O   
664  C CB  . VAL   B 27  ? 0.5105 0.5501 0.3926 0.0886  0.1109  0.0201  36  VAL   B CB  
665  C CG1 . VAL   B 27  ? 0.5187 0.5565 0.4178 0.0818  0.1155  0.0246  36  VAL   B CG1 
666  C CG2 . VAL   B 27  ? 0.5105 0.5434 0.3848 0.0881  0.1062  0.0111  36  VAL   B CG2 
667  N N   . GLY   B 28  ? 0.5002 0.5431 0.3453 0.1150  0.1054  0.0201  37  GLY   B N   
668  C CA  . GLY   B 28  ? 0.4907 0.5330 0.3203 0.1207  0.0992  0.0147  37  GLY   B CA  
669  C C   . GLY   B 28  ? 0.4873 0.5254 0.3067 0.1271  0.0954  0.0100  37  GLY   B C   
670  O O   . GLY   B 28  ? 0.4952 0.5322 0.3190 0.1287  0.0985  0.0120  37  GLY   B O   
671  N N   . VAL   B 29  ? 0.4755 0.5102 0.2822 0.1291  0.0879  0.0026  38  VAL   B N   
672  C CA  . VAL   B 29  ? 0.4735 0.5048 0.2685 0.1360  0.0823  -0.0030 38  VAL   B CA  
673  C C   . VAL   B 29  ? 0.4706 0.4958 0.2619 0.1272  0.0747  -0.0129 38  VAL   B C   
674  O O   . VAL   B 29  ? 0.4713 0.4954 0.2645 0.1198  0.0739  -0.0138 38  VAL   B O   
675  C CB  . VAL   B 29  ? 0.4834 0.5177 0.2652 0.1508  0.0810  0.0003  38  VAL   B CB  
676  C CG1 . VAL   B 29  ? 0.4878 0.5184 0.2574 0.1580  0.0740  -0.0065 38  VAL   B CG1 
677  C CG2 . VAL   B 29  ? 0.4869 0.5287 0.2728 0.1594  0.0894  0.0115  38  VAL   B CG2 
678  N N   . GLY   B 30  ? 0.4693 0.4915 0.2550 0.1285  0.0694  -0.0193 39  GLY   B N   
679  C CA  . GLY   B 30  ? 0.4641 0.4807 0.2456 0.1208  0.0619  -0.0279 39  GLY   B CA  
680  C C   . GLY   B 30  ? 0.4686 0.4832 0.2420 0.1258  0.0554  -0.0338 39  GLY   B C   
681  O O   . GLY   B 30  ? 0.4711 0.4891 0.2402 0.1377  0.0564  -0.0316 39  GLY   B O   
682  N N   . VAL   B 31  ? 0.4659 0.4753 0.2366 0.1179  0.0487  -0.0408 40  VAL   B N   
683  C CA  . VAL   B 31  ? 0.4751 0.4812 0.2378 0.1208  0.0404  -0.0477 40  VAL   B CA  
684  C C   . VAL   B 31  ? 0.4753 0.4827 0.2462 0.1095  0.0385  -0.0530 40  VAL   B C   
685  O O   . VAL   B 31  ? 0.4581 0.4635 0.2339 0.0979  0.0386  -0.0543 40  VAL   B O   
686  C CB  . VAL   B 31  ? 0.4841 0.4820 0.2350 0.1229  0.0330  -0.0509 40  VAL   B CB  
687  C CG1 . VAL   B 31  ? 0.4938 0.4875 0.2384 0.1242  0.0237  -0.0586 40  VAL   B CG1 
688  C CG2 . VAL   B 31  ? 0.4885 0.4872 0.2310 0.1358  0.0353  -0.0454 40  VAL   B CG2 
689  N N   . MET   B 32  ? 0.4777 0.4896 0.2498 0.1135  0.0370  -0.0558 41  MET   B N   
690  C CA  . MET   B 32  ? 0.4787 0.4938 0.2575 0.1045  0.0341  -0.0615 41  MET   B CA  
691  C C   . MET   B 32  ? 0.4925 0.5033 0.2642 0.1044  0.0241  -0.0682 41  MET   B C   
692  O O   . MET   B 32  ? 0.4928 0.5032 0.2567 0.1153  0.0198  -0.0701 41  MET   B O   
693  C CB  . MET   B 32  ? 0.4778 0.5012 0.2628 0.1092  0.0382  -0.0607 41  MET   B CB  
694  C CG  . MET   B 32  ? 0.4757 0.5046 0.2695 0.0993  0.0370  -0.0656 41  MET   B CG  
695  S SD  . MET   B 32  ? 0.4688 0.4989 0.2733 0.0855  0.0426  -0.0642 41  MET   B SD  
696  C CE  . MET   B 32  ? 0.4691 0.4997 0.2774 0.0925  0.0518  -0.0569 41  MET   B CE  
697  N N   . GLN   B 33  ? 0.4961 0.5031 0.2700 0.0925  0.0200  -0.0717 42  GLN   B N   
698  C CA  . GLN   B 33  ? 0.5208 0.5226 0.2899 0.0900  0.0101  -0.0780 42  GLN   B CA  
699  C C   . GLN   B 33  ? 0.5269 0.5314 0.3051 0.0751  0.0086  -0.0808 42  GLN   B C   
700  O O   . GLN   B 33  ? 0.5268 0.5303 0.3092 0.0663  0.0131  -0.0778 42  GLN   B O   
701  C CB  . GLN   B 33  ? 0.5374 0.5268 0.2944 0.0936  0.0047  -0.0783 42  GLN   B CB  
702  C CG  . GLN   B 33  ? 0.5629 0.5458 0.3146 0.0929  -0.0064 -0.0854 42  GLN   B CG  
703  C CD  . GLN   B 33  ? 0.5868 0.5565 0.3245 0.0997  -0.0130 -0.0868 42  GLN   B CD  
704  O OE1 . GLN   B 33  ? 0.6311 0.5901 0.3658 0.0918  -0.0193 -0.0895 42  GLN   B OE1 
705  N NE2 . GLN   B 33  ? 0.5826 0.5525 0.3116 0.1139  -0.0106 -0.0838 42  GLN   B NE2 
706  N N   . GLU   B 34  ? 0.5386 0.5471 0.3199 0.0726  0.0025  -0.0863 43  GLU   B N   
707  C CA  . GLU   B 34  ? 0.5439 0.5576 0.3351 0.0588  0.0009  -0.0888 43  GLU   B CA  
708  C C   . GLU   B 34  ? 0.5261 0.5489 0.3269 0.0526  0.0099  -0.0851 43  GLU   B C   
709  O O   . GLU   B 34  ? 0.5261 0.5486 0.3313 0.0410  0.0110  -0.0841 43  GLU   B O   
710  C CB  . GLU   B 34  ? 0.5681 0.5699 0.3551 0.0499  -0.0047 -0.0895 43  GLU   B CB  
711  C CG  . GLU   B 34  ? 0.5989 0.5902 0.3766 0.0549  -0.0151 -0.0943 43  GLU   B CG  
712  C CD  . GLU   B 34  ? 0.6223 0.5974 0.3913 0.0511  -0.0201 -0.0939 43  GLU   B CD  
713  O OE1 . GLU   B 34  ? 0.6545 0.6269 0.4282 0.0383  -0.0208 -0.0929 43  GLU   B OE1 
714  O OE2 . GLU   B 34  ? 0.6618 0.6268 0.4186 0.0616  -0.0235 -0.0944 43  GLU   B OE2 
715  N N   . GLY   B 35  ? 0.5074 0.5376 0.3111 0.0601  0.0162  -0.0832 44  GLY   B N   
716  C CA  . GLY   B 35  ? 0.4886 0.5270 0.3014 0.0553  0.0239  -0.0808 44  GLY   B CA  
717  C C   . GLY   B 35  ? 0.4735 0.5059 0.2853 0.0526  0.0295  -0.0761 44  GLY   B C   
718  O O   . GLY   B 35  ? 0.4721 0.5102 0.2910 0.0486  0.0352  -0.0747 44  GLY   B O   
719  N N   . VAL   B 36  ? 0.4669 0.4888 0.2702 0.0552  0.0277  -0.0740 45  VAL   B N   
720  C CA  . VAL   B 36  ? 0.4525 0.4694 0.2546 0.0531  0.0323  -0.0697 45  VAL   B CA  
721  C C   . VAL   B 36  ? 0.4472 0.4612 0.2448 0.0643  0.0357  -0.0655 45  VAL   B C   
722  O O   . VAL   B 36  ? 0.4480 0.4580 0.2374 0.0729  0.0318  -0.0659 45  VAL   B O   
723  C CB  . VAL   B 36  ? 0.4584 0.4665 0.2550 0.0460  0.0279  -0.0701 45  VAL   B CB  
724  C CG1 . VAL   B 36  ? 0.4541 0.4572 0.2480 0.0457  0.0318  -0.0660 45  VAL   B CG1 
725  C CG2 . VAL   B 36  ? 0.4562 0.4690 0.2593 0.0341  0.0267  -0.0724 45  VAL   B CG2 
726  N N   . PHE   B 37  ? 0.4332 0.4491 0.2357 0.0640  0.0425  -0.0616 46  PHE   B N   
727  C CA  . PHE   B 37  ? 0.4298 0.4444 0.2303 0.0731  0.0468  -0.0563 46  PHE   B CA  
728  C C   . PHE   B 37  ? 0.4282 0.4373 0.2245 0.0710  0.0469  -0.0538 46  PHE   B C   
729  O O   . PHE   B 37  ? 0.4201 0.4291 0.2207 0.0620  0.0483  -0.0543 46  PHE   B O   
730  C CB  . PHE   B 37  ? 0.4278 0.4477 0.2373 0.0746  0.0539  -0.0532 46  PHE   B CB  
731  C CG  . PHE   B 37  ? 0.4332 0.4525 0.2410 0.0844  0.0582  -0.0469 46  PHE   B CG  
732  C CD1 . PHE   B 37  ? 0.4430 0.4623 0.2435 0.0958  0.0566  -0.0455 46  PHE   B CD1 
733  C CD2 . PHE   B 37  ? 0.4323 0.4515 0.2460 0.0823  0.0636  -0.0423 46  PHE   B CD2 
734  C CE1 . PHE   B 37  ? 0.4479 0.4678 0.2469 0.1049  0.0613  -0.0387 46  PHE   B CE1 
735  C CE2 . PHE   B 37  ? 0.4367 0.4564 0.2502 0.0905  0.0681  -0.0355 46  PHE   B CE2 
736  C CZ  . PHE   B 37  ? 0.4452 0.4656 0.2514 0.1019  0.0673  -0.0333 46  PHE   B CZ  
737  N N   A HIS   B 38  ? 0.4334 0.4384 0.2208 0.0799  0.0452  -0.0514 47  HIS   B N   
738  N N   B HIS   B 38  ? 0.4334 0.4384 0.2208 0.0799  0.0452  -0.0514 47  HIS   B N   
739  N N   C HIS   B 38  ? 0.4328 0.4379 0.2203 0.0800  0.0453  -0.0514 47  HIS   B N   
740  N N   D HIS   B 38  ? 0.4328 0.4379 0.2203 0.0800  0.0453  -0.0514 47  HIS   B N   
741  N N   E HIS   B 38  ? 0.4328 0.4379 0.2203 0.0800  0.0453  -0.0514 47  HIS   B N   
742  C CA  A HIS   B 38  ? 0.4367 0.4364 0.2175 0.0808  0.0442  -0.0492 47  HIS   B CA  
743  C CA  B HIS   B 38  ? 0.4367 0.4364 0.2175 0.0808  0.0442  -0.0492 47  HIS   B CA  
744  C CA  C HIS   B 38  ? 0.4355 0.4354 0.2165 0.0808  0.0443  -0.0492 47  HIS   B CA  
745  C CA  D HIS   B 38  ? 0.4355 0.4354 0.2165 0.0808  0.0443  -0.0492 47  HIS   B CA  
746  C CA  E HIS   B 38  ? 0.4355 0.4354 0.2165 0.0808  0.0443  -0.0492 47  HIS   B CA  
747  C C   A HIS   B 38  ? 0.4354 0.4387 0.2171 0.0891  0.0500  -0.0426 47  HIS   B C   
748  C C   B HIS   B 38  ? 0.4354 0.4387 0.2171 0.0891  0.0500  -0.0426 47  HIS   B C   
749  C C   C HIS   B 38  ? 0.4344 0.4381 0.2169 0.0887  0.0504  -0.0425 47  HIS   B C   
750  C C   D HIS   B 38  ? 0.4344 0.4381 0.2169 0.0887  0.0504  -0.0425 47  HIS   B C   
751  C C   E HIS   B 38  ? 0.4344 0.4381 0.2169 0.0887  0.0504  -0.0425 47  HIS   B C   
752  O O   A HIS   B 38  ? 0.4400 0.4448 0.2168 0.1003  0.0503  -0.0402 47  HIS   B O   
753  O O   B HIS   B 38  ? 0.4400 0.4448 0.2168 0.1003  0.0503  -0.0402 47  HIS   B O   
754  O O   C HIS   B 38  ? 0.4377 0.4441 0.2179 0.0988  0.0518  -0.0400 47  HIS   B O   
755  O O   D HIS   B 38  ? 0.4377 0.4441 0.2179 0.0988  0.0518  -0.0400 47  HIS   B O   
756  O O   E HIS   B 38  ? 0.4377 0.4441 0.2179 0.0988  0.0518  -0.0400 47  HIS   B O   
757  C CB  A HIS   B 38  ? 0.4472 0.4390 0.2150 0.0859  0.0365  -0.0521 47  HIS   B CB  
758  C CB  B HIS   B 38  ? 0.4472 0.4390 0.2150 0.0859  0.0365  -0.0521 47  HIS   B CB  
759  C CB  C HIS   B 38  ? 0.4451 0.4371 0.2136 0.0850  0.0363  -0.0525 47  HIS   B CB  
760  C CB  D HIS   B 38  ? 0.4451 0.4371 0.2136 0.0850  0.0363  -0.0525 47  HIS   B CB  
761  C CB  E HIS   B 38  ? 0.4451 0.4371 0.2136 0.0850  0.0363  -0.0525 47  HIS   B CB  
762  C CG  A HIS   B 38  ? 0.4521 0.4391 0.2179 0.0789  0.0295  -0.0581 47  HIS   B CG  
763  C CG  B HIS   B 38  ? 0.4521 0.4391 0.2179 0.0789  0.0295  -0.0581 47  HIS   B CG  
764  C CG  C HIS   B 38  ? 0.4477 0.4364 0.2161 0.0773  0.0302  -0.0584 47  HIS   B CG  
765  C CG  D HIS   B 38  ? 0.4477 0.4364 0.2161 0.0773  0.0302  -0.0584 47  HIS   B CG  
766  C CG  E HIS   B 38  ? 0.4477 0.4364 0.2161 0.0773  0.0302  -0.0584 47  HIS   B CG  
767  N ND1 A HIS   B 38  ? 0.4543 0.4439 0.2219 0.0795  0.0264  -0.0619 47  HIS   B ND1 
768  N ND1 B HIS   B 38  ? 0.4543 0.4439 0.2219 0.0795  0.0264  -0.0619 47  HIS   B ND1 
769  N ND1 C HIS   B 38  ? 0.4476 0.4410 0.2198 0.0780  0.0286  -0.0616 47  HIS   B ND1 
770  N ND1 D HIS   B 38  ? 0.4476 0.4410 0.2198 0.0780  0.0286  -0.0616 47  HIS   B ND1 
771  N ND1 E HIS   B 38  ? 0.4476 0.4410 0.2198 0.0780  0.0286  -0.0616 47  HIS   B ND1 
772  C CD2 A HIS   B 38  ? 0.4566 0.4363 0.2190 0.0707  0.0249  -0.0607 47  HIS   B CD2 
773  C CD2 B HIS   B 38  ? 0.4566 0.4363 0.2190 0.0707  0.0249  -0.0607 47  HIS   B CD2 
774  C CD2 C HIS   B 38  ? 0.4512 0.4333 0.2168 0.0687  0.0254  -0.0613 47  HIS   B CD2 
775  C CD2 D HIS   B 38  ? 0.4512 0.4333 0.2168 0.0687  0.0254  -0.0613 47  HIS   B CD2 
776  C CD2 E HIS   B 38  ? 0.4512 0.4333 0.2168 0.0687  0.0254  -0.0613 47  HIS   B CD2 
777  C CE1 A HIS   B 38  ? 0.4590 0.4442 0.2260 0.0710  0.0203  -0.0664 47  HIS   B CE1 
778  C CE1 B HIS   B 38  ? 0.4590 0.4442 0.2260 0.0710  0.0203  -0.0664 47  HIS   B CE1 
779  C CE1 C HIS   B 38  ? 0.4505 0.4411 0.2232 0.0694  0.0231  -0.0662 47  HIS   B CE1 
780  C CE1 D HIS   B 38  ? 0.4505 0.4411 0.2232 0.0694  0.0231  -0.0662 47  HIS   B CE1 
781  C CE1 E HIS   B 38  ? 0.4505 0.4411 0.2232 0.0694  0.0231  -0.0662 47  HIS   B CE1 
782  N NE2 A HIS   B 38  ? 0.4606 0.4391 0.2244 0.0650  0.0196  -0.0654 47  HIS   B NE2 
783  N NE2 B HIS   B 38  ? 0.4606 0.4391 0.2244 0.0650  0.0196  -0.0654 47  HIS   B NE2 
784  N NE2 C HIS   B 38  ? 0.4532 0.4365 0.2221 0.0635  0.0213  -0.0657 47  HIS   B NE2 
785  N NE2 D HIS   B 38  ? 0.4532 0.4365 0.2221 0.0635  0.0213  -0.0657 47  HIS   B NE2 
786  N NE2 E HIS   B 38  ? 0.4532 0.4365 0.2221 0.0635  0.0213  -0.0657 47  HIS   B NE2 
787  N N   . THR   B 39  ? 0.4301 0.4350 0.2171 0.0843  0.0540  -0.0396 48  THR   B N   
788  C CA  . THR   B 39  ? 0.4303 0.4399 0.2204 0.0902  0.0596  -0.0329 48  THR   B CA  
789  C C   . THR   B 39  ? 0.4348 0.4436 0.2239 0.0867  0.0596  -0.0318 48  THR   B C   
790  O O   . THR   B 39  ? 0.4321 0.4352 0.2157 0.0810  0.0547  -0.0362 48  THR   B O   
791  C CB  . THR   B 39  ? 0.4252 0.4405 0.2274 0.0897  0.0663  -0.0291 48  THR   B CB  
792  O OG1 . THR   B 39  ? 0.4260 0.4459 0.2302 0.0971  0.0715  -0.0215 48  THR   B OG1 
793  C CG2 . THR   B 39  ? 0.4182 0.4347 0.2315 0.0783  0.0686  -0.0312 48  THR   B CG2 
794  N N   . MET   B 40  ? 0.4398 0.4543 0.2327 0.0912  0.0644  -0.0256 49  MET   B N   
795  C CA  . MET   B 40  ? 0.4428 0.4592 0.2363 0.0887  0.0650  -0.0240 49  MET   B CA  
796  C C   . MET   B 40  ? 0.4318 0.4520 0.2393 0.0783  0.0687  -0.0244 49  MET   B C   
797  O O   . MET   B 40  ? 0.4246 0.4479 0.2428 0.0763  0.0730  -0.0227 49  MET   B O   
798  C CB  . MET   B 40  ? 0.4539 0.4765 0.2452 0.0985  0.0681  -0.0173 49  MET   B CB  
799  C CG  . MET   B 40  ? 0.4683 0.4878 0.2453 0.1108  0.0646  -0.0170 49  MET   B CG  
800  S SD  . MET   B 40  ? 0.4896 0.5137 0.2566 0.1228  0.0644  -0.0122 49  MET   B SD  
801  C CE  . MET   B 40  ? 0.4955 0.5096 0.2523 0.1174  0.0568  -0.0191 49  MET   B CE  
802  N N   A TRP   B 41  ? 0.4298 0.4491 0.2370 0.0721  0.0668  -0.0271 50  TRP   B N   
803  N N   B TRP   B 41  ? 0.4296 0.4489 0.2368 0.0721  0.0668  -0.0271 50  TRP   B N   
804  N N   C TRP   B 41  ? 0.4299 0.4493 0.2371 0.0721  0.0668  -0.0271 50  TRP   B N   
805  N N   D TRP   B 41  ? 0.4296 0.4489 0.2368 0.0721  0.0668  -0.0271 50  TRP   B N   
806  N N   E TRP   B 41  ? 0.4299 0.4493 0.2371 0.0721  0.0668  -0.0271 50  TRP   B N   
807  C CA  A TRP   B 41  ? 0.4237 0.4464 0.2429 0.0625  0.0691  -0.0289 50  TRP   B CA  
808  C CA  B TRP   B 41  ? 0.4235 0.4462 0.2427 0.0625  0.0691  -0.0289 50  TRP   B CA  
809  C CA  C TRP   B 41  ? 0.4236 0.4463 0.2428 0.0625  0.0691  -0.0289 50  TRP   B CA  
810  C CA  D TRP   B 41  ? 0.4235 0.4462 0.2427 0.0625  0.0691  -0.0289 50  TRP   B CA  
811  C CA  E TRP   B 41  ? 0.4236 0.4463 0.2428 0.0625  0.0691  -0.0289 50  TRP   B CA  
812  C C   A TRP   B 41  ? 0.4215 0.4519 0.2537 0.0633  0.0749  -0.0233 50  TRP   B C   
813  C C   B TRP   B 41  ? 0.4215 0.4519 0.2537 0.0633  0.0749  -0.0233 50  TRP   B C   
814  C C   C TRP   B 41  ? 0.4214 0.4518 0.2536 0.0632  0.0749  -0.0234 50  TRP   B C   
815  C C   D TRP   B 41  ? 0.4215 0.4519 0.2537 0.0633  0.0749  -0.0234 50  TRP   B C   
816  C C   E TRP   B 41  ? 0.4214 0.4518 0.2536 0.0632  0.0749  -0.0234 50  TRP   B C   
817  O O   A TRP   B 41  ? 0.4177 0.4497 0.2618 0.0569  0.0774  -0.0245 50  TRP   B O   
818  O O   B TRP   B 41  ? 0.4180 0.4498 0.2620 0.0569  0.0774  -0.0246 50  TRP   B O   
819  O O   C TRP   B 41  ? 0.4174 0.4494 0.2614 0.0568  0.0773  -0.0246 50  TRP   B O   
820  O O   D TRP   B 41  ? 0.4180 0.4499 0.2621 0.0568  0.0774  -0.0246 50  TRP   B O   
821  O O   E TRP   B 41  ? 0.4174 0.4494 0.2614 0.0568  0.0773  -0.0246 50  TRP   B O   
822  C CB  A TRP   B 41  ? 0.4230 0.4441 0.2377 0.0577  0.0658  -0.0323 50  TRP   B CB  
823  C CB  B TRP   B 41  ? 0.4226 0.4438 0.2372 0.0579  0.0658  -0.0322 50  TRP   B CB  
824  C CB  C TRP   B 41  ? 0.4230 0.4440 0.2376 0.0577  0.0658  -0.0323 50  TRP   B CB  
825  C CB  D TRP   B 41  ? 0.4226 0.4438 0.2372 0.0579  0.0658  -0.0322 50  TRP   B CB  
826  C CB  E TRP   B 41  ? 0.4230 0.4440 0.2376 0.0577  0.0658  -0.0323 50  TRP   B CB  
827  C CG  A TRP   B 41  ? 0.4163 0.4399 0.2409 0.0485  0.0669  -0.0358 50  TRP   B CG  
828  C CG  B TRP   B 41  ? 0.4153 0.4405 0.2412 0.0494  0.0676  -0.0346 50  TRP   B CG  
829  C CG  C TRP   B 41  ? 0.4163 0.4399 0.2410 0.0484  0.0669  -0.0358 50  TRP   B CG  
830  C CG  D TRP   B 41  ? 0.4152 0.4404 0.2411 0.0494  0.0676  -0.0346 50  TRP   B CG  
831  C CG  E TRP   B 41  ? 0.4163 0.4399 0.2410 0.0484  0.0669  -0.0358 50  TRP   B CG  
832  C CD1 A TRP   B 41  ? 0.4147 0.4352 0.2388 0.0420  0.0650  -0.0409 50  TRP   B CD1 
833  C CD1 B TRP   B 41  ? 0.4119 0.4442 0.2485 0.0477  0.0707  -0.0324 50  TRP   B CD1 
834  C CD1 C TRP   B 41  ? 0.4147 0.4352 0.2388 0.0419  0.0650  -0.0409 50  TRP   B CD1 
835  C CD1 D TRP   B 41  ? 0.4117 0.4441 0.2484 0.0477  0.0707  -0.0323 50  TRP   B CD1 
836  C CD1 E TRP   B 41  ? 0.4147 0.4352 0.2388 0.0419  0.0650  -0.0409 50  TRP   B CD1 
837  C CD2 A TRP   B 41  ? 0.4118 0.4423 0.2492 0.0451  0.0703  -0.0346 50  TRP   B CD2 
838  C CD2 B TRP   B 41  ? 0.4126 0.4356 0.2406 0.0417  0.0662  -0.0401 50  TRP   B CD2 
839  C CD2 C TRP   B 41  ? 0.4118 0.4423 0.2492 0.0451  0.0703  -0.0346 50  TRP   B CD2 
840  C CD2 D TRP   B 41  ? 0.4125 0.4356 0.2405 0.0417  0.0662  -0.0401 50  TRP   B CD2 
841  C CD2 E TRP   B 41  ? 0.4118 0.4423 0.2492 0.0451  0.0703  -0.0346 50  TRP   B CD2 
842  N NE1 A TRP   B 41  ? 0.4100 0.4348 0.2442 0.0358  0.0667  -0.0433 50  TRP   B NE1 
843  N NE1 B TRP   B 41  ? 0.4070 0.4406 0.2517 0.0398  0.0707  -0.0368 50  TRP   B NE1 
844  N NE1 C TRP   B 41  ? 0.4100 0.4348 0.2441 0.0357  0.0667  -0.0433 50  TRP   B NE1 
845  N NE1 D TRP   B 41  ? 0.4069 0.4405 0.2515 0.0398  0.0707  -0.0368 50  TRP   B NE1 
846  N NE1 E TRP   B 41  ? 0.4100 0.4348 0.2441 0.0357  0.0667  -0.0433 50  TRP   B NE1 
847  C CE2 A TRP   B 41  ? 0.4081 0.4384 0.2508 0.0373  0.0695  -0.0399 50  TRP   B CE2 
848  C CE2 B TRP   B 41  ? 0.4078 0.4362 0.2468 0.0364  0.0682  -0.0414 50  TRP   B CE2 
849  C CE2 C TRP   B 41  ? 0.4082 0.4385 0.2509 0.0372  0.0695  -0.0399 50  TRP   B CE2 
850  C CE2 D TRP   B 41  ? 0.4077 0.4361 0.2468 0.0365  0.0682  -0.0414 50  TRP   B CE2 
851  C CE2 E TRP   B 41  ? 0.4082 0.4385 0.2509 0.0372  0.0695  -0.0399 50  TRP   B CE2 
852  C CE3 A TRP   B 41  ? 0.4113 0.4488 0.2566 0.0478  0.0736  -0.0295 50  TRP   B CE3 
853  C CE3 B TRP   B 41  ? 0.4142 0.4323 0.2363 0.0387  0.0634  -0.0438 50  TRP   B CE3 
854  C CE3 C TRP   B 41  ? 0.4112 0.4487 0.2565 0.0478  0.0736  -0.0295 50  TRP   B CE3 
855  C CE3 D TRP   B 41  ? 0.4142 0.4323 0.2363 0.0387  0.0634  -0.0438 50  TRP   B CE3 
856  C CE3 E TRP   B 41  ? 0.4112 0.4487 0.2565 0.0478  0.0736  -0.0295 50  TRP   B CE3 
857  C CZ2 A TRP   B 41  ? 0.4052 0.4407 0.2601 0.0325  0.0713  -0.0412 50  TRP   B CZ2 
858  C CZ2 B TRP   B 41  ? 0.4055 0.4341 0.2483 0.0296  0.0674  -0.0467 50  TRP   B CZ2 
859  C CZ2 C TRP   B 41  ? 0.4051 0.4405 0.2600 0.0325  0.0713  -0.0412 50  TRP   B CZ2 
860  C CZ2 D TRP   B 41  ? 0.4055 0.4341 0.2482 0.0296  0.0674  -0.0467 50  TRP   B CZ2 
861  C CZ2 E TRP   B 41  ? 0.4051 0.4405 0.2600 0.0325  0.0713  -0.0412 50  TRP   B CZ2 
862  C CZ3 A TRP   B 41  ? 0.4074 0.4503 0.2662 0.0420  0.0754  -0.0303 50  TRP   B CZ3 
863  C CZ3 B TRP   B 41  ? 0.4111 0.4306 0.2376 0.0315  0.0633  -0.0482 50  TRP   B CZ3 
864  C CZ3 C TRP   B 41  ? 0.4074 0.4503 0.2662 0.0420  0.0754  -0.0303 50  TRP   B CZ3 
865  C CZ3 D TRP   B 41  ? 0.4111 0.4306 0.2376 0.0315  0.0633  -0.0482 50  TRP   B CZ3 
866  C CZ3 E TRP   B 41  ? 0.4074 0.4503 0.2662 0.0420  0.0754  -0.0303 50  TRP   B CZ3 
867  C CH2 A TRP   B 41  ? 0.4049 0.4461 0.2680 0.0345  0.0739  -0.0365 50  TRP   B CH2 
868  C CH2 B TRP   B 41  ? 0.4067 0.4313 0.2428 0.0275  0.0653  -0.0497 50  TRP   B CH2 
869  C CH2 C TRP   B 41  ? 0.4047 0.4460 0.2679 0.0345  0.0739  -0.0365 50  TRP   B CH2 
870  C CH2 D TRP   B 41  ? 0.4067 0.4313 0.2428 0.0276  0.0653  -0.0497 50  TRP   B CH2 
871  C CH2 E TRP   B 41  ? 0.4047 0.4460 0.2679 0.0345  0.0739  -0.0365 50  TRP   B CH2 
872  N N   . HIS   B 42  ? 0.4243 0.4597 0.2548 0.0707  0.0769  -0.0174 51  HIS   B N   
873  C CA  . HIS   B 42  ? 0.4277 0.4718 0.2720 0.0708  0.0828  -0.0108 51  HIS   B CA  
874  C C   . HIS   B 42  ? 0.4347 0.4784 0.2865 0.0725  0.0872  -0.0069 51  HIS   B C   
875  O O   . HIS   B 42  ? 0.4411 0.4891 0.3070 0.0690  0.0916  -0.0029 51  HIS   B O   
876  C CB  . HIS   B 42  ? 0.4370 0.4887 0.2782 0.0782  0.0841  -0.0050 51  HIS   B CB  
877  C CG  . HIS   B 42  ? 0.4437 0.4964 0.2760 0.0899  0.0855  0.0001  51  HIS   B CG  
878  N ND1 . HIS   B 42  ? 0.4561 0.5052 0.2717 0.0982  0.0810  -0.0015 51  HIS   B ND1 
879  C CD2 . HIS   B 42  ? 0.4512 0.5087 0.2887 0.0957  0.0909  0.0076  51  HIS   B CD2 
880  C CE1 . HIS   B 42  ? 0.4611 0.5132 0.2716 0.1091  0.0832  0.0039  51  HIS   B CE1 
881  N NE2 . HIS   B 42  ? 0.4557 0.5135 0.2793 0.1077  0.0896  0.0099  51  HIS   B NE2 
882  N N   . VAL   B 43  ? 0.4375 0.4756 0.2812 0.0766  0.0856  -0.0088 52  VAL   B N   
883  C CA  . VAL   B 43  ? 0.4391 0.4763 0.2881 0.0793  0.0894  -0.0056 52  VAL   B CA  
884  C C   . VAL   B 43  ? 0.4391 0.4731 0.2987 0.0697  0.0897  -0.0103 52  VAL   B C   
885  O O   . VAL   B 43  ? 0.4380 0.4735 0.3099 0.0676  0.0942  -0.0062 52  VAL   B O   
886  C CB  . VAL   B 43  ? 0.4440 0.4773 0.2798 0.0876  0.0865  -0.0072 52  VAL   B CB  
887  C CG1 . VAL   B 43  ? 0.4470 0.4788 0.2864 0.0904  0.0893  -0.0056 52  VAL   B CG1 
888  C CG2 . VAL   B 43  ? 0.4483 0.4852 0.2742 0.0988  0.0866  -0.0021 52  VAL   B CG2 
889  N N   . THR   B 44  ? 0.4349 0.4650 0.2903 0.0638  0.0851  -0.0183 53  THR   B N   
890  C CA  . THR   B 44  ? 0.4392 0.4668 0.3021 0.0567  0.0850  -0.0235 53  THR   B CA  
891  C C   . THR   B 44  ? 0.4439 0.4729 0.3138 0.0479  0.0839  -0.0275 53  THR   B C   
892  O O   . THR   B 44  ? 0.4415 0.4692 0.3198 0.0429  0.0846  -0.0307 53  THR   B O   
893  C CB  . THR   B 44  ? 0.4369 0.4611 0.2914 0.0566  0.0811  -0.0294 53  THR   B CB  
894  O OG1 . THR   B 44  ? 0.4325 0.4556 0.2789 0.0531  0.0766  -0.0337 53  THR   B OG1 
895  C CG2 . THR   B 44  ? 0.4410 0.4642 0.2882 0.0656  0.0812  -0.0266 53  THR   B CG2 
896  N N   . LYS   B 45  ? 0.4583 0.4898 0.3244 0.0472  0.0820  -0.0274 54  LYS   B N   
897  C CA  . LYS   B 45  ? 0.4822 0.5156 0.3523 0.0398  0.0800  -0.0320 54  LYS   B CA  
898  C C   . LYS   B 45  ? 0.4848 0.5149 0.3512 0.0348  0.0769  -0.0394 54  LYS   B C   
899  O O   . LYS   B 45  ? 0.4995 0.5312 0.3714 0.0289  0.0759  -0.0439 54  LYS   B O   
900  C CB  . LYS   B 45  ? 0.4996 0.5364 0.3852 0.0356  0.0829  -0.0306 54  LYS   B CB  
901  C CG  . LYS   B 45  ? 0.5293 0.5706 0.4224 0.0395  0.0872  -0.0220 54  LYS   B CG  
902  C CD  . LYS   B 45  ? 0.5510 0.5981 0.4383 0.0437  0.0868  -0.0182 54  LYS   B CD  
903  C CE  . LYS   B 45  ? 0.5679 0.6222 0.4663 0.0458  0.0916  -0.0097 54  LYS   B CE  
904  N NZ  . LYS   B 45  ? 0.5890 0.6474 0.4778 0.0554  0.0930  -0.0033 54  LYS   B NZ  
905  N N   . GLY   B 46  ? 0.4866 0.5134 0.3446 0.0373  0.0753  -0.0407 55  GLY   B N   
906  C CA  . GLY   B 46  ? 0.4842 0.5097 0.3386 0.0328  0.0726  -0.0468 55  GLY   B CA  
907  C C   . GLY   B 46  ? 0.4877 0.5138 0.3503 0.0307  0.0745  -0.0495 55  GLY   B C   
908  O O   . GLY   B 46  ? 0.4962 0.5233 0.3572 0.0269  0.0727  -0.0545 55  GLY   B O   
909  N N   . ALA   B 47  ? 0.4912 0.5167 0.3617 0.0337  0.0779  -0.0461 56  ALA   B N   
910  C CA  . ALA   B 47  ? 0.4906 0.5151 0.3679 0.0333  0.0795  -0.0484 56  ALA   B CA  
911  C C   . ALA   B 47  ? 0.4866 0.5109 0.3576 0.0369  0.0787  -0.0497 56  ALA   B C   
912  O O   . ALA   B 47  ? 0.4790 0.5029 0.3420 0.0411  0.0775  -0.0473 56  ALA   B O   
913  C CB  . ALA   B 47  ? 0.4962 0.5187 0.3834 0.0356  0.0834  -0.0433 56  ALA   B CB  
914  N N   . ALA   B 48  ? 0.4816 0.5065 0.3563 0.0360  0.0790  -0.0537 57  ALA   B N   
915  C CA  . ALA   B 48  ? 0.4847 0.5109 0.3557 0.0399  0.0785  -0.0550 57  ALA   B CA  
916  C C   . ALA   B 48  ? 0.4899 0.5131 0.3621 0.0475  0.0815  -0.0493 57  ALA   B C   
917  O O   . ALA   B 48  ? 0.4975 0.5176 0.3759 0.0483  0.0845  -0.0448 57  ALA   B O   
918  C CB  . ALA   B 48  ? 0.4869 0.5155 0.3620 0.0376  0.0783  -0.0608 57  ALA   B CB  
919  N N   . LEU   B 49  ? 0.4917 0.5164 0.3578 0.0526  0.0804  -0.0493 58  LEU   B N   
920  C CA  . LEU   B 49  ? 0.5049 0.5279 0.3694 0.0615  0.0828  -0.0440 58  LEU   B CA  
921  C C   . LEU   B 49  ? 0.5251 0.5500 0.3899 0.0651  0.0827  -0.0471 58  LEU   B C   
922  O O   . LEU   B 49  ? 0.5231 0.5529 0.3859 0.0620  0.0796  -0.0531 58  LEU   B O   
923  C CB  . LEU   B 49  ? 0.4921 0.5160 0.3470 0.0660  0.0803  -0.0420 58  LEU   B CB  
924  C CG  . LEU   B 49  ? 0.4821 0.5047 0.3345 0.0637  0.0797  -0.0393 58  LEU   B CG  
925  C CD1 . LEU   B 49  ? 0.4787 0.5011 0.3201 0.0682  0.0758  -0.0392 58  LEU   B CD1 
926  C CD2 . LEU   B 49  ? 0.4859 0.5070 0.3447 0.0660  0.0845  -0.0324 58  LEU   B CD2 
927  N N   . ARG   B 50  ? 0.5490 0.5709 0.4161 0.0720  0.0862  -0.0426 59  ARG   B N   
928  C CA  . ARG   B 50  ? 0.5914 0.6149 0.4572 0.0781  0.0864  -0.0445 59  ARG   B CA  
929  C C   . ARG   B 50  ? 0.5916 0.6178 0.4490 0.0864  0.0851  -0.0421 59  ARG   B C   
930  O O   . ARG   B 50  ? 0.5718 0.5959 0.4261 0.0900  0.0864  -0.0364 59  ARG   B O   
931  C CB  . ARG   B 50  ? 0.6318 0.6489 0.5048 0.0807  0.0909  -0.0407 59  ARG   B CB  
932  C CG  . ARG   B 50  ? 0.6762 0.6938 0.5493 0.0857  0.0910  -0.0440 59  ARG   B CG  
933  C CD  . ARG   B 50  ? 0.7114 0.7204 0.5924 0.0854  0.0944  -0.0420 59  ARG   B CD  
934  N NE  . ARG   B 50  ? 0.7335 0.7360 0.6197 0.0838  0.0978  -0.0342 59  ARG   B NE  
935  C CZ  . ARG   B 50  ? 0.7475 0.7465 0.6330 0.0906  0.1018  -0.0253 59  ARG   B CZ  
936  N NH1 . ARG   B 50  ? 0.7677 0.7683 0.6465 0.1004  0.1026  -0.0232 59  ARG   B NH1 
937  N NH2 . ARG   B 50  ? 0.7696 0.7647 0.6615 0.0878  0.1050  -0.0183 59  ARG   B NH2 
938  N N   . SER   B 51  ? 0.6081 0.6398 0.4617 0.0893  0.0820  -0.0469 60  SER   B N   
939  C CA  . SER   B 51  ? 0.6369 0.6714 0.4833 0.0993  0.0807  -0.0457 60  SER   B CA  
940  C C   . SER   B 51  ? 0.6609 0.6991 0.5088 0.1042  0.0811  -0.0487 60  SER   B C   
941  O O   . SER   B 51  ? 0.6582 0.7030 0.5079 0.0994  0.0780  -0.0554 60  SER   B O   
942  C CB  . SER   B 51  ? 0.6336 0.6724 0.4736 0.0973  0.0748  -0.0497 60  SER   B CB  
943  O OG  . SER   B 51  ? 0.6420 0.6845 0.4755 0.1068  0.0724  -0.0503 60  SER   B OG  
944  N N   . GLY   B 52  ? 0.7039 0.7386 0.5512 0.1136  0.0849  -0.0436 61  GLY   B N   
945  C CA  . GLY   B 52  ? 0.7367 0.7727 0.5858 0.1186  0.0861  -0.0458 61  GLY   B CA  
946  C C   . GLY   B 52  ? 0.7645 0.7976 0.6215 0.1107  0.0874  -0.0490 61  GLY   B C   
947  O O   . GLY   B 52  ? 0.8021 0.8271 0.6642 0.1065  0.0905  -0.0450 61  GLY   B O   
948  N N   . GLU   B 53  ? 0.7845 0.8250 0.6429 0.1085  0.0847  -0.0563 62  GLU   B N   
949  C CA  . GLU   B 53  ? 0.8073 0.8469 0.6719 0.1010  0.0850  -0.0608 62  GLU   B CA  
950  C C   . GLU   B 53  ? 0.7730 0.8209 0.6380 0.0912  0.0813  -0.0661 62  GLU   B C   
951  O O   . GLU   B 53  ? 0.7460 0.7959 0.6151 0.0854  0.0810  -0.0705 62  GLU   B O   
952  C CB  . GLU   B 53  ? 0.8570 0.8983 0.7226 0.1073  0.0857  -0.0642 62  GLU   B CB  
953  C CG  . GLU   B 53  ? 0.9136 0.9431 0.7794 0.1155  0.0899  -0.0578 62  GLU   B CG  
954  C CD  . GLU   B 53  ? 0.9636 0.9885 0.8319 0.1195  0.0910  -0.0606 62  GLU   B CD  
955  O OE1 . GLU   B 53  ? 1.0242 1.0593 0.8907 0.1222  0.0886  -0.0672 62  GLU   B OE1 
956  O OE2 . GLU   B 53  ? 1.0035 1.0146 0.8758 0.1198  0.0942  -0.0562 62  GLU   B OE2 
957  N N   . GLY   B 54  ? 0.7290 0.7802 0.5896 0.0898  0.0786  -0.0652 63  GLY   B N   
958  C CA  . GLY   B 54  ? 0.7084 0.7645 0.5687 0.0802  0.0752  -0.0684 63  GLY   B CA  
959  C C   . GLY   B 54  ? 0.6870 0.7353 0.5491 0.0738  0.0767  -0.0654 63  GLY   B C   
960  O O   . GLY   B 54  ? 0.6883 0.7285 0.5504 0.0775  0.0795  -0.0596 63  GLY   B O   
961  N N   . ARG   B 55  ? 0.6512 0.7027 0.5152 0.0649  0.0752  -0.0690 64  ARG   B N   
962  C CA  . ARG   B 55  ? 0.6212 0.6672 0.4862 0.0584  0.0757  -0.0671 64  ARG   B CA  
963  C C   . ARG   B 55  ? 0.5914 0.6391 0.4508 0.0543  0.0721  -0.0670 64  ARG   B C   
964  O O   . ARG   B 55  ? 0.6029 0.6577 0.4604 0.0519  0.0690  -0.0704 64  ARG   B O   
965  C CB  . ARG   B 55  ? 0.6315 0.6795 0.5015 0.0524  0.0763  -0.0713 64  ARG   B CB  
966  C CG  . ARG   B 55  ? 0.6402 0.6820 0.5125 0.0474  0.0772  -0.0696 64  ARG   B CG  
967  C CD  . ARG   B 55  ? 0.6589 0.7040 0.5348 0.0424  0.0769  -0.0748 64  ARG   B CD  
968  N NE  . ARG   B 55  ? 0.6697 0.7111 0.5473 0.0370  0.0768  -0.0745 64  ARG   B NE  
969  C CZ  . ARG   B 55  ? 0.6720 0.7097 0.5553 0.0355  0.0776  -0.0765 64  ARG   B CZ  
970  N NH1 . ARG   B 55  ? 0.6841 0.7199 0.5716 0.0390  0.0785  -0.0792 64  ARG   B NH1 
971  N NH2 . ARG   B 55  ? 0.6528 0.6886 0.5373 0.0308  0.0769  -0.0763 64  ARG   B NH2 
972  N N   . LEU   B 56  ? 0.5474 0.5886 0.4043 0.0536  0.0724  -0.0630 65  LEU   B N   
973  C CA  . LEU   B 56  ? 0.5301 0.5706 0.3810 0.0496  0.0688  -0.0630 65  LEU   B CA  
974  C C   . LEU   B 56  ? 0.5065 0.5449 0.3595 0.0426  0.0695  -0.0631 65  LEU   B C   
975  O O   . LEU   B 56  ? 0.5017 0.5357 0.3580 0.0438  0.0724  -0.0599 65  LEU   B O   
976  C CB  . LEU   B 56  ? 0.5324 0.5678 0.3771 0.0562  0.0680  -0.0585 65  LEU   B CB  
977  C CG  . LEU   B 56  ? 0.5497 0.5867 0.3912 0.0652  0.0673  -0.0577 65  LEU   B CG  
978  C CD1 . LEU   B 56  ? 0.5509 0.5836 0.3844 0.0714  0.0655  -0.0542 65  LEU   B CD1 
979  C CD2 . LEU   B 56  ? 0.5574 0.6015 0.3985 0.0636  0.0635  -0.0632 65  LEU   B CD2 
980  N N   . ASP   B 57  ? 0.4931 0.5352 0.3448 0.0356  0.0671  -0.0663 66  ASP   B N   
981  C CA  . ASP   B 57  ? 0.4764 0.5173 0.3288 0.0295  0.0675  -0.0668 66  ASP   B CA  
982  C C   . ASP   B 57  ? 0.4530 0.4892 0.2981 0.0275  0.0647  -0.0647 66  ASP   B C   
983  O O   . ASP   B 57  ? 0.4595 0.4950 0.2989 0.0273  0.0612  -0.0649 66  ASP   B O   
984  C CB  . ASP   B 57  ? 0.4999 0.5482 0.3549 0.0240  0.0674  -0.0712 66  ASP   B CB  
985  C CG  . ASP   B 57  ? 0.5189 0.5708 0.3804 0.0271  0.0699  -0.0738 66  ASP   B CG  
986  O OD1 . ASP   B 57  ? 0.5481 0.5944 0.4134 0.0307  0.0722  -0.0721 66  ASP   B OD1 
987  O OD2 . ASP   B 57  ? 0.5546 0.6146 0.4173 0.0263  0.0695  -0.0770 66  ASP   B OD2 
988  N N   . PRO   B 58  ? 0.4297 0.4622 0.2745 0.0261  0.0656  -0.0629 67  PRO   B N   
989  C CA  . PRO   B 58  ? 0.4237 0.4514 0.2609 0.0250  0.0630  -0.0609 67  PRO   B CA  
990  C C   . PRO   B 58  ? 0.4165 0.4457 0.2492 0.0187  0.0598  -0.0633 67  PRO   B C   
991  O O   . PRO   B 58  ? 0.4057 0.4410 0.2426 0.0140  0.0610  -0.0661 67  PRO   B O   
992  C CB  . PRO   B 58  ? 0.4238 0.4505 0.2642 0.0243  0.0651  -0.0595 67  PRO   B CB  
993  C CG  . PRO   B 58  ? 0.4288 0.4600 0.2778 0.0216  0.0675  -0.0627 67  PRO   B CG  
994  C CD  . PRO   B 58  ? 0.4331 0.4664 0.2853 0.0250  0.0686  -0.0634 67  PRO   B CD  
995  N N   . TYR   B 59  ? 0.4085 0.4324 0.2332 0.0187  0.0560  -0.0622 68  TYR   B N   
996  C CA  . TYR   B 59  ? 0.4073 0.4307 0.2277 0.0120  0.0528  -0.0633 68  TYR   B CA  
997  C C   . TYR   B 59  ? 0.4058 0.4219 0.2184 0.0104  0.0508  -0.0614 68  TYR   B C   
998  O O   . TYR   B 59  ? 0.4059 0.4227 0.2166 0.0042  0.0503  -0.0616 68  TYR   B O   
999  C CB  . TYR   B 59  ? 0.4164 0.4386 0.2343 0.0126  0.0488  -0.0642 68  TYR   B CB  
1000 C CG  . TYR   B 59  ? 0.4206 0.4431 0.2365 0.0046  0.0457  -0.0649 68  TYR   B CG  
1001 C CD1 . TYR   B 59  ? 0.4318 0.4444 0.2391 0.0025  0.0418  -0.0633 68  TYR   B CD1 
1002 C CD2 . TYR   B 59  ? 0.4207 0.4529 0.2429 -0.0002 0.0463  -0.0667 68  TYR   B CD2 
1003 C CE1 . TYR   B 59  ? 0.4395 0.4509 0.2452 -0.0052 0.0388  -0.0630 68  TYR   B CE1 
1004 C CE2 . TYR   B 59  ? 0.4269 0.4601 0.2483 -0.0081 0.0436  -0.0663 68  TYR   B CE2 
1005 C CZ  . TYR   B 59  ? 0.4376 0.4594 0.2507 -0.0109 0.0398  -0.0642 68  TYR   B CZ  
1006 O OH  . TYR   B 59  ? 0.4548 0.4753 0.2669 -0.0190 0.0369  -0.0629 68  TYR   B OH  
1007 N N   . TRP   B 60  ? 0.4006 0.4099 0.2076 0.0162  0.0494  -0.0593 69  TRP   B N   
1008 C CA  . TRP   B 60  ? 0.4033 0.4047 0.2012 0.0171  0.0470  -0.0574 69  TRP   B CA  
1009 C C   . TRP   B 60  ? 0.4066 0.4076 0.2046 0.0243  0.0491  -0.0551 69  TRP   B C   
1010 O O   . TRP   B 60  ? 0.4034 0.4049 0.2028 0.0306  0.0498  -0.0540 69  TRP   B O   
1011 C CB  . TRP   B 60  ? 0.4079 0.4000 0.1962 0.0167  0.0412  -0.0574 69  TRP   B CB  
1012 C CG  . TRP   B 60  ? 0.4116 0.3948 0.1897 0.0199  0.0387  -0.0555 69  TRP   B CG  
1013 C CD1 . TRP   B 60  ? 0.4139 0.3931 0.1867 0.0159  0.0378  -0.0546 69  TRP   B CD1 
1014 C CD2 . TRP   B 60  ? 0.4129 0.3910 0.1844 0.0291  0.0370  -0.0540 69  TRP   B CD2 
1015 N NE1 . TRP   B 60  ? 0.4183 0.3900 0.1817 0.0218  0.0355  -0.0530 69  TRP   B NE1 
1016 C CE2 . TRP   B 60  ? 0.4196 0.3904 0.1818 0.0301  0.0348  -0.0527 69  TRP   B CE2 
1017 C CE3 . TRP   B 60  ? 0.4130 0.3918 0.1843 0.0375  0.0370  -0.0535 69  TRP   B CE3 
1018 C CZ2 . TRP   B 60  ? 0.4241 0.3901 0.1780 0.0388  0.0330  -0.0511 69  TRP   B CZ2 
1019 C CZ3 . TRP   B 60  ? 0.4183 0.3923 0.1812 0.0462  0.0353  -0.0516 69  TRP   B CZ3 
1020 C CH2 . TRP   B 60  ? 0.4247 0.3925 0.1789 0.0470  0.0332  -0.0506 69  TRP   B CH2 
1021 N N   . GLY   B 61  ? 0.4122 0.4122 0.2077 0.0242  0.0496  -0.0538 70  GLY   B N   
1022 C CA  . GLY   B 61  ? 0.4165 0.4172 0.2121 0.0310  0.0513  -0.0510 70  GLY   B CA  
1023 C C   . GLY   B 61  ? 0.4274 0.4250 0.2158 0.0315  0.0497  -0.0500 70  GLY   B C   
1024 O O   . GLY   B 61  ? 0.4231 0.4203 0.2099 0.0255  0.0489  -0.0517 70  GLY   B O   
1025 N N   . ASP   B 62  ? 0.4347 0.4322 0.2201 0.0386  0.0500  -0.0472 71  ASP   B N   
1026 C CA  . ASP   B 62  ? 0.4518 0.4476 0.2301 0.0412  0.0484  -0.0459 71  ASP   B CA  
1027 C C   . ASP   B 62  ? 0.4448 0.4472 0.2273 0.0481  0.0514  -0.0424 71  ASP   B C   
1028 O O   . ASP   B 62  ? 0.4467 0.4473 0.2246 0.0558  0.0508  -0.0400 71  ASP   B O   
1029 C CB  . ASP   B 62  ? 0.4805 0.4647 0.2440 0.0429  0.0429  -0.0464 71  ASP   B CB  
1030 C CG  . ASP   B 62  ? 0.5052 0.4866 0.2603 0.0448  0.0410  -0.0457 71  ASP   B CG  
1031 O OD1 . ASP   B 62  ? 0.5179 0.5034 0.2721 0.0515  0.0420  -0.0436 71  ASP   B OD1 
1032 O OD2 . ASP   B 62  ? 0.5595 0.5363 0.3102 0.0393  0.0392  -0.0470 71  ASP   B OD2 
1033 N N   . VAL   B 63  ? 0.4351 0.4457 0.2261 0.0458  0.0542  -0.0421 72  VAL   B N   
1034 C CA  . VAL   B 63  ? 0.4323 0.4516 0.2302 0.0508  0.0575  -0.0382 72  VAL   B CA  
1035 C C   . VAL   B 63  ? 0.4463 0.4631 0.2318 0.0594  0.0548  -0.0357 72  VAL   B C   
1036 O O   . VAL   B 63  ? 0.4438 0.4660 0.2312 0.0665  0.0571  -0.0314 72  VAL   B O   
1037 C CB  . VAL   B 63  ? 0.4251 0.4533 0.2351 0.0453  0.0598  -0.0395 72  VAL   B CB  
1038 C CG1 . VAL   B 63  ? 0.4254 0.4626 0.2401 0.0500  0.0616  -0.0357 72  VAL   B CG1 
1039 C CG2 . VAL   B 63  ? 0.4160 0.4473 0.2397 0.0396  0.0629  -0.0409 72  VAL   B CG2 
1040 N N   . LYS   B 64  ? 0.4565 0.4649 0.2288 0.0598  0.0502  -0.0379 73  LYS   B N   
1041 C CA  . LYS   B 64  ? 0.4712 0.4769 0.2310 0.0692  0.0474  -0.0358 73  LYS   B CA  
1042 C C   . LYS   B 64  ? 0.4763 0.4746 0.2267 0.0767  0.0450  -0.0348 73  LYS   B C   
1043 O O   . LYS   B 64  ? 0.4875 0.4898 0.2342 0.0865  0.0457  -0.0315 73  LYS   B O   
1044 C CB  . LYS   B 64  ? 0.4813 0.4790 0.2290 0.0680  0.0430  -0.0382 73  LYS   B CB  
1045 C CG  . LYS   B 64  ? 0.4970 0.4936 0.2329 0.0784  0.0405  -0.0362 73  LYS   B CG  
1046 C CD  . LYS   B 64  ? 0.5078 0.4956 0.2311 0.0782  0.0362  -0.0381 73  LYS   B CD  
1047 C CE  . LYS   B 64  ? 0.5246 0.5101 0.2345 0.0897  0.0331  -0.0365 73  LYS   B CE  
1048 N NZ  . LYS   B 64  ? 0.5359 0.5151 0.2356 0.0889  0.0298  -0.0380 73  LYS   B NZ  
1049 N N   . GLN   B 65  ? 0.4770 0.4662 0.2246 0.0727  0.0425  -0.0375 74  GLN   B N   
1050 C CA  . GLN   B 65  ? 0.4859 0.4688 0.2260 0.0796  0.0398  -0.0375 74  GLN   B CA  
1051 C C   . GLN   B 65  ? 0.4702 0.4633 0.2210 0.0832  0.0451  -0.0342 74  GLN   B C   
1052 O O   . GLN   B 65  ? 0.4670 0.4573 0.2106 0.0919  0.0433  -0.0333 74  GLN   B O   
1053 C CB  . GLN   B 65  ? 0.5004 0.4729 0.2372 0.0732  0.0357  -0.0414 74  GLN   B CB  
1054 C CG  . GLN   B 65  ? 0.5264 0.4876 0.2531 0.0688  0.0307  -0.0437 74  GLN   B CG  
1055 C CD  . GLN   B 65  ? 0.5505 0.5009 0.2729 0.0639  0.0258  -0.0468 74  GLN   B CD  
1056 O OE1 . GLN   B 65  ? 0.5806 0.5269 0.2996 0.0686  0.0228  -0.0480 74  GLN   B OE1 
1057 N NE2 . GLN   B 65  ? 0.5652 0.5113 0.2877 0.0546  0.0248  -0.0479 74  GLN   B NE2 
1058 N N   . ASP   B 66  ? 0.4520 0.4553 0.2178 0.0774  0.0508  -0.0325 75  ASP   B N   
1059 C CA  . ASP   B 66  ? 0.4395 0.4511 0.2176 0.0783  0.0563  -0.0292 75  ASP   B CA  
1060 C C   . ASP   B 66  ? 0.4342 0.4402 0.2106 0.0783  0.0548  -0.0314 75  ASP   B C   
1061 O O   . ASP   B 66  ? 0.4293 0.4386 0.2065 0.0857  0.0571  -0.0280 75  ASP   B O   
1062 C CB  . ASP   B 66  ? 0.4457 0.4656 0.2242 0.0884  0.0596  -0.0231 75  ASP   B CB  
1063 C CG  . ASP   B 66  ? 0.4409 0.4699 0.2337 0.0882  0.0661  -0.0183 75  ASP   B CG  
1064 O OD1 . ASP   B 66  ? 0.4328 0.4635 0.2378 0.0792  0.0686  -0.0197 75  ASP   B OD1 
1065 O OD2 . ASP   B 66  ? 0.4475 0.4817 0.2385 0.0980  0.0687  -0.0128 75  ASP   B OD2 
1066 N N   . LEU   B 67  ? 0.4259 0.4254 0.2010 0.0707  0.0516  -0.0362 76  LEU   B N   
1067 C CA  . LEU   B 67  ? 0.4234 0.4188 0.1975 0.0698  0.0495  -0.0390 76  LEU   B CA  
1068 C C   . LEU   B 67  ? 0.4178 0.4157 0.2021 0.0597  0.0514  -0.0418 76  LEU   B C   
1069 O O   . LEU   B 67  ? 0.4081 0.4071 0.1956 0.0525  0.0520  -0.0432 76  LEU   B O   
1070 C CB  . LEU   B 67  ? 0.4329 0.4172 0.1933 0.0714  0.0422  -0.0424 76  LEU   B CB  
1071 C CG  . LEU   B 67  ? 0.4432 0.4232 0.1910 0.0835  0.0388  -0.0410 76  LEU   B CG  
1072 C CD1 . LEU   B 67  ? 0.4549 0.4217 0.1902 0.0831  0.0306  -0.0454 76  LEU   B CD1 
1073 C CD2 . LEU   B 67  ? 0.4423 0.4276 0.1921 0.0922  0.0411  -0.0387 76  LEU   B CD2 
1074 N N   . VAL   B 68  ? 0.4149 0.4137 0.2027 0.0596  0.0516  -0.0432 77  VAL   B N   
1075 C CA  . VAL   B 68  ? 0.4098 0.4118 0.2067 0.0511  0.0533  -0.0462 77  VAL   B CA  
1076 C C   . VAL   B 68  ? 0.4123 0.4135 0.2081 0.0527  0.0510  -0.0485 77  VAL   B C   
1077 O O   . VAL   B 68  ? 0.4154 0.4160 0.2072 0.0616  0.0506  -0.0467 77  VAL   B O   
1078 C CB  . VAL   B 68  ? 0.4037 0.4130 0.2132 0.0489  0.0592  -0.0444 77  VAL   B CB  
1079 C CG1 . VAL   B 68  ? 0.4044 0.4170 0.2181 0.0567  0.0631  -0.0398 77  VAL   B CG1 
1080 C CG2 . VAL   B 68  ? 0.3984 0.4108 0.2157 0.0414  0.0604  -0.0481 77  VAL   B CG2 
1081 N N   . SER   B 69  ? 0.4107 0.4118 0.2081 0.0452  0.0489  -0.0523 78  SER   B N   
1082 C CA  . SER   B 69  ? 0.4127 0.4152 0.2111 0.0447  0.0466  -0.0553 78  SER   B CA  
1083 C C   . SER   B 69  ? 0.4121 0.4225 0.2213 0.0394  0.0504  -0.0570 78  SER   B C   
1084 O O   . SER   B 69  ? 0.4055 0.4185 0.2194 0.0331  0.0528  -0.0574 78  SER   B O   
1085 C CB  . SER   B 69  ? 0.4193 0.4153 0.2102 0.0408  0.0400  -0.0581 78  SER   B CB  
1086 O OG  . SER   B 69  ? 0.4157 0.4119 0.2085 0.0308  0.0398  -0.0593 78  SER   B OG  
1087 N N   . TYR   B 70  ? 0.4177 0.4321 0.2300 0.0426  0.0505  -0.0583 79  TYR   B N   
1088 C CA  . TYR   B 70  ? 0.4200 0.4421 0.2416 0.0398  0.0539  -0.0602 79  TYR   B CA  
1089 C C   . TYR   B 70  ? 0.4289 0.4550 0.2508 0.0370  0.0501  -0.0640 79  TYR   B C   
1090 O O   . TYR   B 70  ? 0.4315 0.4548 0.2480 0.0412  0.0460  -0.0647 79  TYR   B O   
1091 C CB  . TYR   B 70  ? 0.4145 0.4386 0.2405 0.0475  0.0582  -0.0576 79  TYR   B CB  
1092 C CG  . TYR   B 70  ? 0.4102 0.4326 0.2399 0.0485  0.0626  -0.0537 79  TYR   B CG  
1093 C CD1 . TYR   B 70  ? 0.4114 0.4297 0.2359 0.0529  0.0625  -0.0498 79  TYR   B CD1 
1094 C CD2 . TYR   B 70  ? 0.4073 0.4326 0.2457 0.0444  0.0663  -0.0544 79  TYR   B CD2 
1095 C CE1 . TYR   B 70  ? 0.4097 0.4282 0.2389 0.0530  0.0664  -0.0460 79  TYR   B CE1 
1096 C CE2 . TYR   B 70  ? 0.4058 0.4298 0.2491 0.0443  0.0697  -0.0513 79  TYR   B CE2 
1097 C CZ  . TYR   B 70  ? 0.4063 0.4275 0.2454 0.0483  0.0699  -0.0468 79  TYR   B CZ  
1098 O OH  . TYR   B 70  ? 0.4097 0.4313 0.2547 0.0479  0.0731  -0.0434 79  TYR   B OH  
1099 N N   A CYS   B 71  ? 0.4278 0.4610 0.2561 0.0304  0.0516  -0.0665 80  CYS   B N   
1100 N N   B CYS   B 71  ? 0.4278 0.4610 0.2561 0.0304  0.0516  -0.0665 80  CYS   B N   
1101 N N   C CYS   B 71  ? 0.4254 0.4584 0.2534 0.0302  0.0513  -0.0665 80  CYS   B N   
1102 N N   D CYS   B 71  ? 0.4254 0.4584 0.2534 0.0302  0.0513  -0.0665 80  CYS   B N   
1103 N N   E CYS   B 71  ? 0.4254 0.4584 0.2534 0.0302  0.0513  -0.0665 80  CYS   B N   
1104 C CA  A CYS   B 71  ? 0.4330 0.4738 0.2645 0.0271  0.0492  -0.0699 80  CYS   B CA  
1105 C CA  B CYS   B 71  ? 0.4330 0.4738 0.2645 0.0271  0.0492  -0.0699 80  CYS   B CA  
1106 C CA  C CYS   B 71  ? 0.4283 0.4687 0.2593 0.0270  0.0487  -0.0699 80  CYS   B CA  
1107 C CA  D CYS   B 71  ? 0.4283 0.4687 0.2593 0.0270  0.0487  -0.0699 80  CYS   B CA  
1108 C CA  E CYS   B 71  ? 0.4283 0.4687 0.2593 0.0270  0.0487  -0.0699 80  CYS   B CA  
1109 C C   A CYS   B 71  ? 0.4366 0.4752 0.2645 0.0189  0.0445  -0.0707 80  CYS   B C   
1110 C C   B CYS   B 71  ? 0.4366 0.4752 0.2645 0.0189  0.0445  -0.0707 80  CYS   B C   
1111 C C   C CYS   B 71  ? 0.4340 0.4712 0.2605 0.0205  0.0431  -0.0709 80  CYS   B C   
1112 C C   D CYS   B 71  ? 0.4340 0.4712 0.2605 0.0205  0.0431  -0.0709 80  CYS   B C   
1113 C C   E CYS   B 71  ? 0.4340 0.4712 0.2605 0.0205  0.0431  -0.0709 80  CYS   B C   
1114 O O   A CYS   B 71  ? 0.4373 0.4842 0.2701 0.0125  0.0438  -0.0727 80  CYS   B O   
1115 O O   B CYS   B 71  ? 0.4373 0.4842 0.2701 0.0125  0.0438  -0.0727 80  CYS   B O   
1116 O O   C CYS   B 71  ? 0.4359 0.4797 0.2657 0.0167  0.0401  -0.0735 80  CYS   B O   
1117 O O   D CYS   B 71  ? 0.4359 0.4797 0.2657 0.0167  0.0401  -0.0735 80  CYS   B O   
1118 O O   E CYS   B 71  ? 0.4359 0.4797 0.2657 0.0167  0.0401  -0.0735 80  CYS   B O   
1119 C CB  A CYS   B 71  ? 0.4400 0.4824 0.2706 0.0349  0.0472  -0.0709 80  CYS   B CB  
1120 C CB  B CYS   B 71  ? 0.4400 0.4824 0.2706 0.0349  0.0472  -0.0709 80  CYS   B CB  
1121 C CB  C CYS   B 71  ? 0.4315 0.4741 0.2624 0.0354  0.0477  -0.0708 80  CYS   B CB  
1122 C CB  D CYS   B 71  ? 0.4315 0.4741 0.2624 0.0354  0.0477  -0.0708 80  CYS   B CB  
1123 C CB  E CYS   B 71  ? 0.4315 0.4741 0.2624 0.0354  0.0477  -0.0708 80  CYS   B CB  
1124 S SG  A CYS   B 71  ? 0.4478 0.4900 0.2808 0.0458  0.0530  -0.0681 80  CYS   B SG  
1125 S SG  B CYS   B 71  ? 0.4478 0.4900 0.2808 0.0458  0.0530  -0.0681 80  CYS   B SG  
1126 S SG  C CYS   B 71  ? 0.4271 0.4717 0.2635 0.0430  0.0547  -0.0686 80  CYS   B SG  
1127 S SG  D CYS   B 71  ? 0.4271 0.4717 0.2635 0.0430  0.0547  -0.0686 80  CYS   B SG  
1128 S SG  E CYS   B 71  ? 0.4271 0.4717 0.2635 0.0430  0.0547  -0.0686 80  CYS   B SG  
1129 N N   A GLY   B 72  ? 0.4412 0.4692 0.2611 0.0193  0.0414  -0.0690 81  GLY   B N   
1130 N N   B GLY   B 72  ? 0.4412 0.4692 0.2611 0.0193  0.0414  -0.0690 81  GLY   B N   
1131 N N   C GLY   B 72  ? 0.4373 0.4657 0.2576 0.0180  0.0418  -0.0689 81  GLY   B N   
1132 N N   D GLY   B 72  ? 0.4373 0.4657 0.2576 0.0180  0.0418  -0.0689 81  GLY   B N   
1133 N N   E GLY   B 72  ? 0.4373 0.4657 0.2576 0.0180  0.0418  -0.0689 81  GLY   B N   
1134 C CA  A GLY   B 72  ? 0.4467 0.4693 0.2620 0.0125  0.0362  -0.0693 81  GLY   B CA  
1135 C CA  B GLY   B 72  ? 0.4467 0.4693 0.2620 0.0125  0.0362  -0.0693 81  GLY   B CA  
1136 C CA  C GLY   B 72  ? 0.4449 0.4668 0.2597 0.0128  0.0359  -0.0693 81  GLY   B CA  
1137 C CA  D GLY   B 72  ? 0.4449 0.4668 0.2597 0.0128  0.0359  -0.0693 81  GLY   B CA  
1138 C CA  E GLY   B 72  ? 0.4449 0.4668 0.2597 0.0128  0.0359  -0.0693 81  GLY   B CA  
1139 C C   A GLY   B 72  ? 0.4497 0.4604 0.2559 0.0136  0.0348  -0.0668 81  GLY   B C   
1140 C C   B GLY   B 72  ? 0.4497 0.4604 0.2559 0.0136  0.0348  -0.0668 81  GLY   B C   
1141 C C   C GLY   B 72  ? 0.4493 0.4589 0.2546 0.0146  0.0341  -0.0669 81  GLY   B C   
1142 C C   D GLY   B 72  ? 0.4493 0.4589 0.2546 0.0146  0.0341  -0.0669 81  GLY   B C   
1143 C C   E GLY   B 72  ? 0.4493 0.4589 0.2546 0.0146  0.0341  -0.0669 81  GLY   B C   
1144 O O   A GLY   B 72  ? 0.4466 0.4547 0.2507 0.0211  0.0382  -0.0646 81  GLY   B O   
1145 O O   B GLY   B 72  ? 0.4466 0.4547 0.2507 0.0211  0.0382  -0.0646 81  GLY   B O   
1146 O O   C GLY   B 72  ? 0.4471 0.4536 0.2496 0.0221  0.0367  -0.0649 81  GLY   B O   
1147 O O   D GLY   B 72  ? 0.4471 0.4536 0.2496 0.0221  0.0367  -0.0649 81  GLY   B O   
1148 O O   E GLY   B 72  ? 0.4471 0.4536 0.2496 0.0221  0.0367  -0.0649 81  GLY   B O   
1149 N N   A PRO   B 73  ? 0.4581 0.4604 0.2582 0.0091  0.0292  -0.0669 82  PRO   B N   
1150 N N   B PRO   B 73  ? 0.4581 0.4604 0.2582 0.0091  0.0292  -0.0669 82  PRO   B N   
1151 N N   C PRO   B 73  ? 0.4581 0.4597 0.2576 0.0096  0.0286  -0.0671 82  PRO   B N   
1152 N N   D PRO   B 73  ? 0.4581 0.4597 0.2576 0.0096  0.0286  -0.0671 82  PRO   B N   
1153 N N   E PRO   B 73  ? 0.4581 0.4597 0.2576 0.0096  0.0286  -0.0671 82  PRO   B N   
1154 C CA  A PRO   B 73  ? 0.4656 0.4546 0.2548 0.0118  0.0261  -0.0652 82  PRO   B CA  
1155 C CA  B PRO   B 73  ? 0.4656 0.4546 0.2548 0.0118  0.0261  -0.0652 82  PRO   B CA  
1156 C CA  C PRO   B 73  ? 0.4657 0.4543 0.2547 0.0117  0.0257  -0.0653 82  PRO   B CA  
1157 C CA  D PRO   B 73  ? 0.4657 0.4543 0.2547 0.0117  0.0257  -0.0653 82  PRO   B CA  
1158 C CA  E PRO   B 73  ? 0.4657 0.4543 0.2547 0.0117  0.0257  -0.0653 82  PRO   B CA  
1159 C C   A PRO   B 73  ? 0.4710 0.4532 0.2529 0.0226  0.0224  -0.0660 82  PRO   B C   
1160 C C   B PRO   B 73  ? 0.4710 0.4532 0.2529 0.0226  0.0224  -0.0660 82  PRO   B C   
1161 C C   C PRO   B 73  ? 0.4712 0.4530 0.2527 0.0226  0.0221  -0.0661 82  PRO   B C   
1162 C C   D PRO   B 73  ? 0.4712 0.4530 0.2527 0.0226  0.0221  -0.0661 82  PRO   B C   
1163 C C   E PRO   B 73  ? 0.4712 0.4530 0.2527 0.0226  0.0221  -0.0661 82  PRO   B C   
1164 O O   A PRO   B 73  ? 0.4723 0.4593 0.2574 0.0263  0.0209  -0.0685 82  PRO   B O   
1165 O O   B PRO   B 73  ? 0.4723 0.4593 0.2574 0.0263  0.0209  -0.0685 82  PRO   B O   
1166 O O   C PRO   B 73  ? 0.4725 0.4586 0.2569 0.0264  0.0203  -0.0686 82  PRO   B O   
1167 O O   D PRO   B 73  ? 0.4725 0.4586 0.2569 0.0264  0.0203  -0.0686 82  PRO   B O   
1168 O O   E PRO   B 73  ? 0.4725 0.4586 0.2569 0.0264  0.0203  -0.0686 82  PRO   B O   
1169 C CB  A PRO   B 73  ? 0.4754 0.4576 0.2615 0.0027  0.0211  -0.0652 82  PRO   B CB  
1170 C CB  B PRO   B 73  ? 0.4754 0.4576 0.2615 0.0027  0.0211  -0.0652 82  PRO   B CB  
1171 C CB  C PRO   B 73  ? 0.4755 0.4576 0.2617 0.0026  0.0206  -0.0654 82  PRO   B CB  
1172 C CB  D PRO   B 73  ? 0.4755 0.4576 0.2617 0.0026  0.0206  -0.0654 82  PRO   B CB  
1173 C CB  E PRO   B 73  ? 0.4755 0.4576 0.2617 0.0026  0.0206  -0.0654 82  PRO   B CB  
1174 C CG  A PRO   B 73  ? 0.4755 0.4653 0.2693 -0.0017 0.0187  -0.0679 82  PRO   B CG  
1175 C CG  B PRO   B 73  ? 0.4755 0.4653 0.2693 -0.0017 0.0187  -0.0679 82  PRO   B CG  
1176 C CG  C PRO   B 73  ? 0.4751 0.4654 0.2694 -0.0016 0.0184  -0.0682 82  PRO   B CG  
1177 C CG  D PRO   B 73  ? 0.4751 0.4654 0.2694 -0.0016 0.0184  -0.0682 82  PRO   B CG  
1178 C CG  E PRO   B 73  ? 0.4751 0.4654 0.2694 -0.0016 0.0184  -0.0682 82  PRO   B CG  
1179 C CD  A PRO   B 73  ? 0.4632 0.4674 0.2663 0.0010  0.0247  -0.0688 82  PRO   B CD  
1180 C CD  B PRO   B 73  ? 0.4632 0.4674 0.2663 0.0010  0.0247  -0.0688 82  PRO   B CD  
1181 C CD  C PRO   B 73  ? 0.4625 0.4671 0.2659 0.0011  0.0248  -0.0688 82  PRO   B CD  
1182 C CD  D PRO   B 73  ? 0.4625 0.4671 0.2659 0.0011  0.0248  -0.0688 82  PRO   B CD  
1183 C CD  E PRO   B 73  ? 0.4625 0.4671 0.2659 0.0011  0.0248  -0.0688 82  PRO   B CD  
1184 N N   . TRP   B 74  ? 0.4741 0.4480 0.2472 0.0281  0.0221  -0.0639 83  TRP   B N   
1185 C CA  . TRP   B 74  ? 0.4802 0.4474 0.2441 0.0395  0.0186  -0.0641 83  TRP   B CA  
1186 C C   . TRP   B 74  ? 0.4957 0.4549 0.2540 0.0398  0.0101  -0.0679 83  TRP   B C   
1187 O O   . TRP   B 74  ? 0.5040 0.4544 0.2586 0.0329  0.0052  -0.0689 83  TRP   B O   
1188 C CB  . TRP   B 74  ? 0.4805 0.4403 0.2356 0.0431  0.0189  -0.0613 83  TRP   B CB  
1189 C CG  . TRP   B 74  ? 0.4797 0.4353 0.2257 0.0559  0.0168  -0.0607 83  TRP   B CG  
1190 C CD1 . TRP   B 74  ? 0.4933 0.4377 0.2276 0.0617  0.0092  -0.0631 83  TRP   B CD1 
1191 C CD2 . TRP   B 74  ? 0.4719 0.4351 0.2201 0.0647  0.0225  -0.0573 83  TRP   B CD2 
1192 N NE1 . TRP   B 74  ? 0.4940 0.4396 0.2221 0.0747  0.0100  -0.0615 83  TRP   B NE1 
1193 C CE2 . TRP   B 74  ? 0.4801 0.4375 0.2169 0.0764  0.0183  -0.0574 83  TRP   B CE2 
1194 C CE3 . TRP   B 74  ? 0.4576 0.4318 0.2164 0.0642  0.0303  -0.0541 83  TRP   B CE3 
1195 C CZ2 . TRP   B 74  ? 0.4767 0.4405 0.2126 0.0874  0.0226  -0.0536 83  TRP   B CZ2 
1196 C CZ3 . TRP   B 74  ? 0.4566 0.4356 0.2153 0.0740  0.0343  -0.0503 83  TRP   B CZ3 
1197 C CH2 . TRP   B 74  ? 0.4638 0.4386 0.2114 0.0856  0.0308  -0.0497 83  TRP   B CH2 
1198 N N   . LYS   B 75  ? 0.5037 0.4645 0.2600 0.0490  0.0077  -0.0701 84  LYS   B N   
1199 C CA  . LYS   B 75  ? 0.5229 0.4785 0.2761 0.0493  -0.0008 -0.0751 84  LYS   B CA  
1200 C C   . LYS   B 75  ? 0.5403 0.4847 0.2794 0.0610  -0.0071 -0.0767 84  LYS   B C   
1201 O O   . LYS   B 75  ? 0.5653 0.5020 0.2999 0.0613  -0.0159 -0.0816 84  LYS   B O   
1202 C CB  . LYS   B 75  ? 0.5191 0.4866 0.2804 0.0519  0.0004  -0.0774 84  LYS   B CB  
1203 C CG  . LYS   B 75  ? 0.5091 0.4889 0.2838 0.0422  0.0057  -0.0769 84  LYS   B CG  
1204 C CD  . LYS   B 75  ? 0.5169 0.4959 0.2964 0.0297  0.0010  -0.0793 84  LYS   B CD  
1205 C CE  . LYS   B 75  ? 0.5103 0.5030 0.3024 0.0208  0.0068  -0.0783 84  LYS   B CE  
1206 N NZ  . LYS   B 75  ? 0.5187 0.5133 0.3166 0.0094  0.0023  -0.0802 84  LYS   B NZ  
1207 N N   . LEU   B 76  ? 0.5442 0.4885 0.2772 0.0707  -0.0032 -0.0732 85  LEU   B N   
1208 C CA  . LEU   B 76  ? 0.5663 0.5037 0.2860 0.0849  -0.0079 -0.0743 85  LEU   B CA  
1209 C C   . LEU   B 76  ? 0.5949 0.5175 0.3030 0.0847  -0.0132 -0.0747 85  LEU   B C   
1210 O O   . LEU   B 76  ? 0.5925 0.5154 0.3007 0.0821  -0.0082 -0.0704 85  LEU   B O   
1211 C CB  . LEU   B 76  ? 0.5534 0.5008 0.2739 0.0953  0.0001  -0.0692 85  LEU   B CB  
1212 C CG  . LEU   B 76  ? 0.5370 0.4980 0.2701 0.0937  0.0067  -0.0676 85  LEU   B CG  
1213 C CD1 . LEU   B 76  ? 0.5305 0.4998 0.2643 0.1040  0.0143  -0.0619 85  LEU   B CD1 
1214 C CD2 . LEU   B 76  ? 0.5431 0.5054 0.2773 0.0947  0.0011  -0.0731 85  LEU   B CD2 
1215 N N   . ASP   B 77  ? 0.6346 0.5443 0.3332 0.0872  -0.0233 -0.0798 86  ASP   B N   
1216 C CA  . ASP   B 77  ? 0.6775 0.5706 0.3647 0.0860  -0.0293 -0.0805 86  ASP   B CA  
1217 C C   . ASP   B 77  ? 0.6832 0.5652 0.3541 0.1008  -0.0375 -0.0843 86  ASP   B C   
1218 O O   . ASP   B 77  ? 0.6932 0.5600 0.3529 0.1018  -0.0432 -0.0854 86  ASP   B O   
1219 C CB  . ASP   B 77  ? 0.7150 0.5996 0.4072 0.0706  -0.0341 -0.0826 86  ASP   B CB  
1220 C CG  . ASP   B 77  ? 0.7606 0.6443 0.4571 0.0676  -0.0414 -0.0885 86  ASP   B CG  
1221 O OD1 . ASP   B 77  ? 0.7981 0.6861 0.4916 0.0787  -0.0440 -0.0919 86  ASP   B OD1 
1222 O OD2 . ASP   B 77  ? 0.8179 0.6971 0.5206 0.0542  -0.0447 -0.0895 86  ASP   B OD2 
1223 N N   . ALA   B 78  ? 0.6725 0.5618 0.3409 0.1133  -0.0378 -0.0860 87  ALA   B N   
1224 C CA  . ALA   B 78  ? 0.6805 0.5609 0.3323 0.1294  -0.0454 -0.0897 87  ALA   B CA  
1225 C C   . ALA   B 78  ? 0.6753 0.5557 0.3179 0.1385  -0.0408 -0.0845 87  ALA   B C   
1226 O O   . ALA   B 78  ? 0.6544 0.5478 0.3060 0.1354  -0.0299 -0.0776 87  ALA   B O   
1227 C CB  . ALA   B 78  ? 0.6836 0.5737 0.3347 0.1414  -0.0460 -0.0921 87  ALA   B CB  
1228 N N   . ALA   B 79  ? 0.6939 0.5608 0.3196 0.1496  -0.0491 -0.0881 88  ALA   B N   
1229 C CA  . ALA   B 79  ? 0.7005 0.5655 0.3149 0.1596  -0.0470 -0.0844 88  ALA   B CA  
1230 C C   . ALA   B 79  ? 0.7079 0.5735 0.3074 0.1805  -0.0512 -0.0867 88  ALA   B C   
1231 O O   . ALA   B 79  ? 0.7261 0.5820 0.3179 0.1857  -0.0610 -0.0939 88  ALA   B O   
1232 C CB  . ALA   B 79  ? 0.7189 0.5645 0.3251 0.1529  -0.0538 -0.0865 88  ALA   B CB  
1233 N N   . TRP   B 80  ? 0.7007 0.5790 0.2975 0.1914  -0.0434 -0.0804 89  TRP   B N   
1234 C CA  . TRP   B 80  ? 0.7248 0.6030 0.3044 0.2124  -0.0468 -0.0811 89  TRP   B CA  
1235 C C   . TRP   B 80  ? 0.7631 0.6182 0.3254 0.2165  -0.0598 -0.0886 89  TRP   B C   
1236 O O   . TRP   B 80  ? 0.7604 0.6034 0.3234 0.2045  -0.0615 -0.0885 89  TRP   B O   
1237 C CB  . TRP   B 80  ? 0.7100 0.6041 0.2902 0.2205  -0.0365 -0.0724 89  TRP   B CB  
1238 C CG  . TRP   B 80  ? 0.7232 0.6210 0.2870 0.2426  -0.0389 -0.0724 89  TRP   B CG  
1239 C CD1 . TRP   B 80  ? 0.7324 0.6310 0.2876 0.2563  -0.0439 -0.0765 89  TRP   B CD1 
1240 C CD2 . TRP   B 80  ? 0.7290 0.6307 0.2822 0.2548  -0.0370 -0.0686 89  TRP   B CD2 
1241 N NE1 . TRP   B 80  ? 0.7463 0.6493 0.2859 0.2766  -0.0448 -0.0753 89  TRP   B NE1 
1242 C CE2 . TRP   B 80  ? 0.7432 0.6478 0.2811 0.2759  -0.0410 -0.0706 89  TRP   B CE2 
1243 C CE3 . TRP   B 80  ? 0.7194 0.6221 0.2735 0.2506  -0.0332 -0.0645 89  TRP   B CE3 
1244 C CZ2 . TRP   B 80  ? 0.7510 0.6617 0.2758 0.2928  -0.0399 -0.0675 89  TRP   B CZ2 
1245 C CZ3 . TRP   B 80  ? 0.7298 0.6382 0.2711 0.2671  -0.0326 -0.0618 89  TRP   B CZ3 
1246 C CH2 . TRP   B 80  ? 0.7438 0.6564 0.2708 0.2878  -0.0358 -0.0631 89  TRP   B CH2 
1247 N N   . ASP   B 81  ? 0.7987 0.6471 0.3462 0.2321  -0.0689 -0.0950 90  ASP   B N   
1248 C CA  . ASP   B 81  ? 0.8513 0.6757 0.3808 0.2382  -0.0832 -0.1037 90  ASP   B CA  
1249 C C   . ASP   B 81  ? 0.8779 0.6991 0.3933 0.2494  -0.0824 -0.1006 90  ASP   B C   
1250 O O   . ASP   B 81  ? 0.9301 0.7298 0.4328 0.2498  -0.0921 -0.1056 90  ASP   B O   
1251 C CB  . ASP   B 81  ? 0.8599 0.6789 0.3790 0.2512  -0.0937 -0.1125 90  ASP   B CB  
1252 C CG  . ASP   B 81  ? 0.8768 0.7102 0.3849 0.2744  -0.0912 -0.1110 90  ASP   B CG  
1253 O OD1 . ASP   B 81  ? 0.8740 0.7228 0.3816 0.2821  -0.0807 -0.1021 90  ASP   B OD1 
1254 O OD2 . ASP   B 81  ? 0.9203 0.7522 0.4234 0.2831  -0.0990 -0.1184 90  ASP   B OD2 
1255 N N   . GLY   B 82  ? 0.8648 0.7077 0.3824 0.2592  -0.0714 -0.0925 91  GLY   B N   
1256 C CA  . GLY   B 82  ? 0.8610 0.7075 0.3663 0.2727  -0.0691 -0.0887 91  GLY   B CA  
1257 C C   . GLY   B 82  ? 0.8770 0.7254 0.3633 0.2974  -0.0744 -0.0919 91  GLY   B C   
1258 O O   . GLY   B 82  ? 0.9015 0.7519 0.3750 0.3109  -0.0742 -0.0899 91  GLY   B O   
1259 N N   . LEU   B 83  ? 0.8734 0.7219 0.3573 0.3041  -0.0794 -0.0972 92  LEU   B N   
1260 C CA  . LEU   B 83  ? 0.8866 0.7355 0.3510 0.3286  -0.0863 -0.1019 92  LEU   B CA  
1261 C C   . LEU   B 83  ? 0.8683 0.7388 0.3389 0.3373  -0.0792 -0.0981 92  LEU   B C   
1262 O O   . LEU   B 83  ? 0.8751 0.7607 0.3345 0.3589  -0.0756 -0.0942 92  LEU   B O   
1263 C CB  . LEU   B 83  ? 0.9169 0.7390 0.3684 0.3299  -0.1034 -0.1151 92  LEU   B CB  
1264 C CG  . LEU   B 83  ? 0.9491 0.7457 0.3842 0.3319  -0.1145 -0.1212 92  LEU   B CG  
1265 C CD1 . LEU   B 83  ? 0.9735 0.7472 0.3941 0.3391  -0.1318 -0.1344 92  LEU   B CD1 
1266 C CD2 . LEU   B 83  ? 0.9585 0.7621 0.3784 0.3505  -0.1115 -0.1170 92  LEU   B CD2 
1267 N N   . SER   B 84  ? 0.8412 0.7116 0.3255 0.3243  -0.0794 -0.1004 93  SER   B N   
1268 C CA  . SER   B 84  ? 0.8220 0.7070 0.3088 0.3336  -0.0768 -0.1000 93  SER   B CA  
1269 C C   . SER   B 84  ? 0.7838 0.6942 0.2862 0.3312  -0.0600 -0.0870 93  SER   B C   
1270 O O   . SER   B 84  ? 0.7729 0.6878 0.2902 0.3150  -0.0512 -0.0802 93  SER   B O   
1271 C CB  . SER   B 84  ? 0.8310 0.7071 0.3270 0.3205  -0.0832 -0.1073 93  SER   B CB  
1272 O OG  . SER   B 84  ? 0.8693 0.7183 0.3550 0.3161  -0.0990 -0.1189 93  SER   B OG  
1273 N N   A GLU   B 85  ? 0.7822 0.7092 0.2809 0.3475  -0.0554 -0.0833 94  GLU   B N   
1274 N N   B GLU   B 85  ? 0.7823 0.7093 0.2810 0.3476  -0.0554 -0.0833 94  GLU   B N   
1275 N N   C GLU   B 85  ? 0.7810 0.7077 0.2808 0.3463  -0.0556 -0.0836 94  GLU   B N   
1276 N N   D GLU   B 85  ? 0.7810 0.7077 0.2808 0.3463  -0.0556 -0.0836 94  GLU   B N   
1277 N N   E GLU   B 85  ? 0.7810 0.7077 0.2808 0.3463  -0.0556 -0.0836 94  GLU   B N   
1278 C CA  A GLU   B 85  ? 0.7548 0.7050 0.2700 0.3443  -0.0399 -0.0710 94  GLU   B CA  
1279 C CA  B GLU   B 85  ? 0.7548 0.7050 0.2700 0.3443  -0.0399 -0.0710 94  GLU   B CA  
1280 C CA  C GLU   B 85  ? 0.7534 0.7030 0.2699 0.3428  -0.0402 -0.0716 94  GLU   B CA  
1281 C CA  D GLU   B 85  ? 0.7534 0.7030 0.2699 0.3429  -0.0401 -0.0716 94  GLU   B CA  
1282 C CA  E GLU   B 85  ? 0.7534 0.7030 0.2699 0.3428  -0.0402 -0.0716 94  GLU   B CA  
1283 C C   A GLU   B 85  ? 0.7307 0.6771 0.2660 0.3210  -0.0379 -0.0723 94  GLU   B C   
1284 C C   B GLU   B 85  ? 0.7307 0.6770 0.2661 0.3208  -0.0379 -0.0723 94  GLU   B C   
1285 C C   C GLU   B 85  ? 0.7307 0.6771 0.2668 0.3206  -0.0383 -0.0729 94  GLU   B C   
1286 C C   D GLU   B 85  ? 0.7307 0.6771 0.2668 0.3206  -0.0383 -0.0729 94  GLU   B C   
1287 C C   E GLU   B 85  ? 0.7307 0.6771 0.2668 0.3206  -0.0383 -0.0729 94  GLU   B C   
1288 O O   A GLU   B 85  ? 0.7386 0.6669 0.2742 0.3097  -0.0488 -0.0827 94  GLU   B O   
1289 O O   B GLU   B 85  ? 0.7390 0.6671 0.2743 0.3098  -0.0489 -0.0827 94  GLU   B O   
1290 O O   C GLU   B 85  ? 0.7365 0.6656 0.2748 0.3077  -0.0484 -0.0829 94  GLU   B O   
1291 O O   D GLU   B 85  ? 0.7365 0.6656 0.2748 0.3077  -0.0484 -0.0829 94  GLU   B O   
1292 O O   E GLU   B 85  ? 0.7365 0.6656 0.2748 0.3077  -0.0484 -0.0829 94  GLU   B O   
1293 C CB  A GLU   B 85  ? 0.7640 0.7300 0.2698 0.3666  -0.0367 -0.0674 94  GLU   B CB  
1294 C CB  B GLU   B 85  ? 0.7640 0.7300 0.2699 0.3665  -0.0367 -0.0674 94  GLU   B CB  
1295 C CB  C GLU   B 85  ? 0.7612 0.7270 0.2687 0.3649  -0.0366 -0.0677 94  GLU   B CB  
1296 C CB  D GLU   B 85  ? 0.7612 0.7270 0.2687 0.3649  -0.0366 -0.0677 94  GLU   B CB  
1297 C CB  E GLU   B 85  ? 0.7612 0.7270 0.2687 0.3649  -0.0366 -0.0677 94  GLU   B CB  
1298 C CG  A GLU   B 85  ? 0.7779 0.7521 0.2678 0.3870  -0.0352 -0.0632 94  GLU   B CG  
1299 C CG  B GLU   B 85  ? 0.7779 0.7521 0.2679 0.3870  -0.0352 -0.0632 94  GLU   B CG  
1300 C CG  C GLU   B 85  ? 0.7698 0.7475 0.2651 0.3835  -0.0321 -0.0609 94  GLU   B CG  
1301 C CG  D GLU   B 85  ? 0.7698 0.7475 0.2651 0.3835  -0.0321 -0.0608 94  GLU   B CG  
1302 C CG  E GLU   B 85  ? 0.7698 0.7475 0.2651 0.3835  -0.0321 -0.0609 94  GLU   B CG  
1303 C CD  A GLU   B 85  ? 0.7872 0.7803 0.2675 0.4105  -0.0301 -0.0573 94  GLU   B CD  
1304 C CD  B GLU   B 85  ? 0.7873 0.7804 0.2675 0.4105  -0.0301 -0.0573 94  GLU   B CD  
1305 C CD  C GLU   B 85  ? 0.7723 0.7723 0.2637 0.4029  -0.0233 -0.0519 94  GLU   B CD  
1306 C CD  D GLU   B 85  ? 0.7723 0.7723 0.2637 0.4030  -0.0233 -0.0518 94  GLU   B CD  
1307 C CD  E GLU   B 85  ? 0.7723 0.7723 0.2637 0.4029  -0.0233 -0.0519 94  GLU   B CD  
1308 O OE1 A GLU   B 85  ? 0.7805 0.7833 0.2691 0.4101  -0.0250 -0.0539 94  GLU   B OE1 
1309 O OE1 B GLU   B 85  ? 0.7807 0.7834 0.2692 0.4102  -0.0250 -0.0539 94  GLU   B OE1 
1310 O OE1 C GLU   B 85  ? 0.7758 0.7787 0.2670 0.4079  -0.0245 -0.0539 94  GLU   B OE1 
1311 O OE1 D GLU   B 85  ? 0.7758 0.7787 0.2670 0.4079  -0.0245 -0.0539 94  GLU   B OE1 
1312 O OE1 E GLU   B 85  ? 0.7758 0.7787 0.2670 0.4079  -0.0245 -0.0539 94  GLU   B OE1 
1313 O OE2 A GLU   B 85  ? 0.8030 0.8026 0.2673 0.4299  -0.0306 -0.0553 94  GLU   B OE2 
1314 O OE2 B GLU   B 85  ? 0.8032 0.8028 0.2675 0.4300  -0.0307 -0.0553 94  GLU   B OE2 
1315 O OE2 C GLU   B 85  ? 0.7719 0.7874 0.2606 0.4135  -0.0150 -0.0422 94  GLU   B OE2 
1316 O OE2 D GLU   B 85  ? 0.7718 0.7874 0.2606 0.4134  -0.0149 -0.0421 94  GLU   B OE2 
1317 O OE2 E GLU   B 85  ? 0.7719 0.7874 0.2606 0.4135  -0.0150 -0.0422 94  GLU   B OE2 
1318 N N   A VAL   B 86  ? 0.6991 0.6634 0.2521 0.3130  -0.0230 -0.0603 95  VAL   B N   
1319 N N   B VAL   B 86  ? 0.6990 0.6634 0.2520 0.3130  -0.0230 -0.0603 95  VAL   B N   
1320 N N   C VAL   B 86  ? 0.6998 0.6633 0.2539 0.3116  -0.0235 -0.0612 95  VAL   B N   
1321 N N   D VAL   B 86  ? 0.6998 0.6633 0.2538 0.3117  -0.0235 -0.0612 95  VAL   B N   
1322 N N   E VAL   B 86  ? 0.6998 0.6633 0.2539 0.3116  -0.0235 -0.0612 95  VAL   B N   
1323 C CA  A VAL   B 86  ? 0.6747 0.6410 0.2476 0.2938  -0.0180 -0.0590 95  VAL   B CA  
1324 C CA  B VAL   B 86  ? 0.6747 0.6409 0.2475 0.2939  -0.0180 -0.0589 95  VAL   B CA  
1325 C CA  C VAL   B 86  ? 0.6756 0.6413 0.2495 0.2925  -0.0184 -0.0596 95  VAL   B CA  
1326 C CA  D VAL   B 86  ? 0.6756 0.6413 0.2495 0.2925  -0.0184 -0.0596 95  VAL   B CA  
1327 C CA  E VAL   B 86  ? 0.6756 0.6413 0.2495 0.2925  -0.0184 -0.0596 95  VAL   B CA  
1328 C C   A VAL   B 86  ? 0.6606 0.6463 0.2421 0.3000  -0.0065 -0.0494 95  VAL   B C   
1329 C C   B VAL   B 86  ? 0.6606 0.6463 0.2421 0.3001  -0.0065 -0.0494 95  VAL   B C   
1330 C C   C VAL   B 86  ? 0.6620 0.6467 0.2441 0.2991  -0.0073 -0.0505 95  VAL   B C   
1331 C C   D VAL   B 86  ? 0.6620 0.6468 0.2441 0.2991  -0.0073 -0.0505 95  VAL   B C   
1332 C C   E VAL   B 86  ? 0.6620 0.6467 0.2441 0.2991  -0.0073 -0.0505 95  VAL   B C   
1333 O O   A VAL   B 86  ? 0.6690 0.6673 0.2409 0.3192  -0.0021 -0.0431 95  VAL   B O   
1334 O O   B VAL   B 86  ? 0.6693 0.6676 0.2410 0.3195  -0.0021 -0.0431 95  VAL   B O   
1335 O O   C VAL   B 86  ? 0.6690 0.6649 0.2408 0.3183  -0.0041 -0.0454 95  VAL   B O   
1336 O O   D VAL   B 86  ? 0.6691 0.6650 0.2408 0.3184  -0.0041 -0.0454 95  VAL   B O   
1337 O O   E VAL   B 86  ? 0.6690 0.6649 0.2408 0.3183  -0.0041 -0.0454 95  VAL   B O   
1338 C CB  A VAL   B 86  ? 0.6586 0.6211 0.2447 0.2741  -0.0136 -0.0561 95  VAL   B CB  
1339 C CB  B VAL   B 86  ? 0.6585 0.6210 0.2446 0.2741  -0.0136 -0.0561 95  VAL   B CB  
1340 C CB  C VAL   B 86  ? 0.6594 0.6229 0.2469 0.2734  -0.0130 -0.0558 95  VAL   B CB  
1341 C CB  D VAL   B 86  ? 0.6594 0.6229 0.2469 0.2734  -0.0130 -0.0558 95  VAL   B CB  
1342 C CB  E VAL   B 86  ? 0.6594 0.6229 0.2469 0.2734  -0.0130 -0.0558 95  VAL   B CB  
1343 C CG1 A VAL   B 86  ? 0.6717 0.6144 0.2475 0.2696  -0.0248 -0.0646 95  VAL   B CG1 
1344 C CG1 B VAL   B 86  ? 0.6717 0.6144 0.2475 0.2696  -0.0248 -0.0646 95  VAL   B CG1 
1345 C CG1 C VAL   B 86  ? 0.6712 0.6156 0.2490 0.2686  -0.0235 -0.0637 95  VAL   B CG1 
1346 C CG1 D VAL   B 86  ? 0.6712 0.6156 0.2490 0.2686  -0.0235 -0.0637 95  VAL   B CG1 
1347 C CG1 E VAL   B 86  ? 0.6712 0.6156 0.2490 0.2686  -0.0235 -0.0637 95  VAL   B CG1 
1348 C CG2 A VAL   B 86  ? 0.6477 0.6259 0.2405 0.2759  -0.0016 -0.0445 95  VAL   B CG2 
1349 C CG2 B VAL   B 86  ? 0.6476 0.6258 0.2403 0.2759  -0.0016 -0.0445 95  VAL   B CG2 
1350 C CG2 C VAL   B 86  ? 0.6488 0.6288 0.2427 0.2765  -0.0007 -0.0440 95  VAL   B CG2 
1351 C CG2 D VAL   B 86  ? 0.6488 0.6288 0.2427 0.2765  -0.0007 -0.0440 95  VAL   B CG2 
1352 C CG2 E VAL   B 86  ? 0.6488 0.6288 0.2427 0.2765  -0.0007 -0.0440 95  VAL   B CG2 
1353 N N   A GLN   B 87  ? 0.6409 0.6289 0.2383 0.2861  -0.0024 -0.0485 96  GLN   B N   
1354 N N   B GLN   B 87  ? 0.6408 0.6289 0.2383 0.2861  -0.0023 -0.0485 96  GLN   B N   
1355 N N   C GLN   B 87  ? 0.6410 0.6293 0.2402 0.2845  -0.0019 -0.0484 96  GLN   B N   
1356 N N   D GLN   B 87  ? 0.6410 0.6293 0.2402 0.2845  -0.0019 -0.0484 96  GLN   B N   
1357 N N   E GLN   B 87  ? 0.6410 0.6293 0.2402 0.2845  -0.0019 -0.0484 96  GLN   B N   
1358 C CA  A GLN   B 87  ? 0.6275 0.6318 0.2357 0.2886  0.0089  -0.0391 96  GLN   B CA  
1359 C CA  B GLN   B 87  ? 0.6275 0.6317 0.2357 0.2886  0.0089  -0.0391 96  GLN   B CA  
1360 C CA  C GLN   B 87  ? 0.6283 0.6329 0.2381 0.2873  0.0095  -0.0388 96  GLN   B CA  
1361 C CA  D GLN   B 87  ? 0.6283 0.6329 0.2381 0.2873  0.0095  -0.0388 96  GLN   B CA  
1362 C CA  E GLN   B 87  ? 0.6283 0.6329 0.2381 0.2873  0.0095  -0.0388 96  GLN   B CA  
1363 C C   A GLN   B 87  ? 0.6049 0.6124 0.2335 0.2687  0.0180  -0.0331 96  GLN   B C   
1364 C C   B GLN   B 87  ? 0.6048 0.6123 0.2334 0.2686  0.0180  -0.0331 96  GLN   B C   
1365 C C   C GLN   B 87  ? 0.6057 0.6141 0.2359 0.2678  0.0188  -0.0326 96  GLN   B C   
1366 C C   D GLN   B 87  ? 0.6057 0.6141 0.2359 0.2678  0.0188  -0.0326 96  GLN   B C   
1367 C C   E GLN   B 87  ? 0.6057 0.6141 0.2359 0.2678  0.0188  -0.0326 96  GLN   B C   
1368 O O   A GLN   B 87  ? 0.5973 0.5936 0.2335 0.2511  0.0132  -0.0399 96  GLN   B O   
1369 O O   B GLN   B 87  ? 0.5973 0.5935 0.2335 0.2510  0.0132  -0.0399 96  GLN   B O   
1370 O O   C GLN   B 87  ? 0.5980 0.5960 0.2364 0.2506  0.0145  -0.0392 96  GLN   B O   
1371 O O   D GLN   B 87  ? 0.5980 0.5960 0.2365 0.2505  0.0145  -0.0392 96  GLN   B O   
1372 O O   E GLN   B 87  ? 0.5980 0.5960 0.2364 0.2506  0.0145  -0.0392 96  GLN   B O   
1373 C CB  A GLN   B 87  ? 0.6317 0.6360 0.2364 0.2954  0.0042  -0.0446 96  GLN   B CB  
1374 C CB  B GLN   B 87  ? 0.6317 0.6359 0.2363 0.2954  0.0042  -0.0445 96  GLN   B CB  
1375 C CB  C GLN   B 87  ? 0.6327 0.6374 0.2397 0.2934  0.0051  -0.0441 96  GLN   B CB  
1376 C CB  D GLN   B 87  ? 0.6327 0.6374 0.2397 0.2934  0.0051  -0.0441 96  GLN   B CB  
1377 C CB  E GLN   B 87  ? 0.6327 0.6374 0.2397 0.2934  0.0051  -0.0441 96  GLN   B CB  
1378 C CG  A GLN   B 87  ? 0.6500 0.6546 0.2341 0.3182  -0.0028 -0.0486 96  GLN   B CG  
1379 C CG  B GLN   B 87  ? 0.6499 0.6545 0.2341 0.3182  -0.0028 -0.0486 96  GLN   B CG  
1380 C CG  C GLN   B 87  ? 0.6508 0.6575 0.2381 0.3167  -0.0009 -0.0473 96  GLN   B CG  
1381 C CG  D GLN   B 87  ? 0.6508 0.6575 0.2381 0.3167  -0.0009 -0.0473 96  GLN   B CG  
1382 C CG  E GLN   B 87  ? 0.6508 0.6575 0.2381 0.3167  -0.0009 -0.0473 96  GLN   B CG  
1383 C CD  A GLN   B 87  ? 0.6558 0.6617 0.2355 0.3267  -0.0080 -0.0544 96  GLN   B CD  
1384 C CD  B GLN   B 87  ? 0.6557 0.6616 0.2354 0.3267  -0.0080 -0.0544 96  GLN   B CD  
1385 C CD  C GLN   B 87  ? 0.6543 0.6659 0.2396 0.3254  -0.0026 -0.0499 96  GLN   B CD  
1386 C CD  D GLN   B 87  ? 0.6543 0.6659 0.2396 0.3254  -0.0026 -0.0499 96  GLN   B CD  
1387 C CD  E GLN   B 87  ? 0.6543 0.6659 0.2396 0.3254  -0.0026 -0.0499 96  GLN   B CD  
1388 O OE1 A GLN   B 87  ? 0.6443 0.6477 0.2350 0.3146  -0.0092 -0.0582 96  GLN   B OE1 
1389 O OE1 B GLN   B 87  ? 0.6442 0.6476 0.2348 0.3146  -0.0092 -0.0583 96  GLN   B OE1 
1390 O OE1 C GLN   B 87  ? 0.6420 0.6537 0.2399 0.3136  -0.0011 -0.0512 96  GLN   B OE1 
1391 O OE1 D GLN   B 87  ? 0.6420 0.6537 0.2399 0.3136  -0.0011 -0.0512 96  GLN   B OE1 
1392 O OE1 E GLN   B 87  ? 0.6420 0.6537 0.2399 0.3136  -0.0011 -0.0512 96  GLN   B OE1 
1393 N NE2 A GLN   B 87  ? 0.6697 0.6803 0.2322 0.3491  -0.0113 -0.0553 96  GLN   B NE2 
1394 N NE2 B GLN   B 87  ? 0.6695 0.6802 0.2320 0.3491  -0.0113 -0.0552 96  GLN   B NE2 
1395 N NE2 C GLN   B 87  ? 0.6702 0.6865 0.2387 0.3474  -0.0061 -0.0510 96  GLN   B NE2 
1396 N NE2 D GLN   B 87  ? 0.6702 0.6865 0.2387 0.3474  -0.0061 -0.0510 96  GLN   B NE2 
1397 N NE2 E GLN   B 87  ? 0.6702 0.6865 0.2387 0.3474  -0.0061 -0.0510 96  GLN   B NE2 
1398 N N   A LEU   B 88  ? 0.5949 0.6169 0.2314 0.2713  0.0300  -0.0210 97  LEU   B N   
1399 N N   B LEU   B 88  ? 0.5948 0.6168 0.2314 0.2713  0.0300  -0.0210 97  LEU   B N   
1400 N N   C LEU   B 88  ? 0.5956 0.6179 0.2335 0.2702  0.0306  -0.0207 97  LEU   B N   
1401 N N   D LEU   B 88  ? 0.5955 0.6179 0.2335 0.2702  0.0306  -0.0207 97  LEU   B N   
1402 N N   E LEU   B 88  ? 0.5956 0.6179 0.2335 0.2702  0.0306  -0.0207 97  LEU   B N   
1403 C CA  A LEU   B 88  ? 0.5771 0.6048 0.2341 0.2553  0.0397  -0.0143 97  LEU   B CA  
1404 C CA  B LEU   B 88  ? 0.5771 0.6048 0.2341 0.2553  0.0397  -0.0143 97  LEU   B CA  
1405 C CA  C LEU   B 88  ? 0.5772 0.6053 0.2356 0.2541  0.0404  -0.0138 97  LEU   B CA  
1406 C CA  D LEU   B 88  ? 0.5772 0.6053 0.2356 0.2541  0.0404  -0.0138 97  LEU   B CA  
1407 C CA  E LEU   B 88  ? 0.5772 0.6053 0.2356 0.2541  0.0404  -0.0138 97  LEU   B CA  
1408 C C   A LEU   B 88  ? 0.5757 0.6085 0.2389 0.2570  0.0436  -0.0122 97  LEU   B C   
1409 C C   B LEU   B 88  ? 0.5757 0.6085 0.2389 0.2570  0.0436  -0.0122 97  LEU   B C   
1410 C C   C LEU   B 88  ? 0.5746 0.6084 0.2400 0.2556  0.0450  -0.0109 97  LEU   B C   
1411 C C   D LEU   B 88  ? 0.5746 0.6084 0.2400 0.2556  0.0450  -0.0109 97  LEU   B C   
1412 C C   E LEU   B 88  ? 0.5746 0.6084 0.2400 0.2556  0.0450  -0.0109 97  LEU   B C   
1413 O O   A LEU   B 88  ? 0.5822 0.6244 0.2389 0.2729  0.0474  -0.0064 97  LEU   B O   
1414 O O   B LEU   B 88  ? 0.5821 0.6243 0.2389 0.2729  0.0474  -0.0065 97  LEU   B O   
1415 O O   C LEU   B 88  ? 0.5793 0.6242 0.2415 0.2696  0.0513  -0.0028 97  LEU   B O   
1416 O O   D LEU   B 88  ? 0.5792 0.6242 0.2415 0.2696  0.0513  -0.0028 97  LEU   B O   
1417 O O   E LEU   B 88  ? 0.5793 0.6242 0.2415 0.2696  0.0513  -0.0028 97  LEU   B O   
1418 C CB  A LEU   B 88  ? 0.5705 0.6111 0.2343 0.2571  0.0500  -0.0027 97  LEU   B CB  
1419 C CB  B LEU   B 88  ? 0.5705 0.6110 0.2342 0.2571  0.0500  -0.0027 97  LEU   B CB  
1420 C CB  C LEU   B 88  ? 0.5708 0.6112 0.2356 0.2557  0.0503  -0.0025 97  LEU   B CB  
1421 C CB  D LEU   B 88  ? 0.5708 0.6112 0.2356 0.2557  0.0503  -0.0026 97  LEU   B CB  
1422 C CB  E LEU   B 88  ? 0.5708 0.6112 0.2356 0.2557  0.0503  -0.0025 97  LEU   B CB  
1423 C CG  A LEU   B 88  ? 0.5533 0.5999 0.2381 0.2420  0.0599  0.0044  97  LEU   B CG  
1424 C CG  B LEU   B 88  ? 0.5533 0.5998 0.2381 0.2420  0.0599  0.0044  97  LEU   B CG  
1425 C CG  C LEU   B 88  ? 0.5551 0.6037 0.2404 0.2434  0.0613  0.0060  97  LEU   B CG  
1426 C CG  D LEU   B 88  ? 0.5551 0.6037 0.2404 0.2434  0.0612  0.0060  97  LEU   B CG  
1427 C CG  E LEU   B 88  ? 0.5551 0.6037 0.2404 0.2434  0.0613  0.0060  97  LEU   B CG  
1428 C CD1 A LEU   B 88  ? 0.5437 0.5809 0.2367 0.2236  0.0566  -0.0014 97  LEU   B CD1 
1429 C CD1 B LEU   B 88  ? 0.5436 0.5808 0.2366 0.2236  0.0566  -0.0014 97  LEU   B CD1 
1430 C CD1 C LEU   B 88  ? 0.5435 0.5829 0.2406 0.2232  0.0591  0.0002  97  LEU   B CD1 
1431 C CD1 D LEU   B 88  ? 0.5435 0.5828 0.2406 0.2232  0.0591  0.0002  97  LEU   B CD1 
1432 C CD1 E LEU   B 88  ? 0.5435 0.5829 0.2406 0.2232  0.0591  0.0002  97  LEU   B CD1 
1433 C CD2 A LEU   B 88  ? 0.5512 0.6131 0.2428 0.2470  0.0705  0.0172  97  LEU   B CD2 
1434 C CD2 B LEU   B 88  ? 0.5511 0.6130 0.2428 0.2470  0.0705  0.0172  97  LEU   B CD2 
1435 C CD2 C LEU   B 88  ? 0.5525 0.6149 0.2440 0.2468  0.0705  0.0175  97  LEU   B CD2 
1436 C CD2 D LEU   B 88  ? 0.5525 0.6149 0.2440 0.2468  0.0705  0.0175  97  LEU   B CD2 
1437 C CD2 E LEU   B 88  ? 0.5525 0.6149 0.2440 0.2468  0.0705  0.0175  97  LEU   B CD2 
1438 N N   . LEU   B 89  ? 0.5669 0.5940 0.2409 0.2424  0.0423  -0.0169 98  LEU   B N   
1439 C CA  . LEU   B 89  ? 0.5672 0.5996 0.2491 0.2425  0.0471  -0.0142 98  LEU   B CA  
1440 C C   . LEU   B 89  ? 0.5580 0.5974 0.2570 0.2322  0.0587  -0.0040 98  LEU   B C   
1441 O O   . LEU   B 89  ? 0.5525 0.5877 0.2654 0.2146  0.0600  -0.0063 98  LEU   B O   
1442 C CB  . LEU   B 89  ? 0.5687 0.5924 0.2530 0.2328  0.0393  -0.0249 98  LEU   B CB  
1443 C CG  . LEU   B 89  ? 0.5659 0.5947 0.2581 0.2325  0.0433  -0.0234 98  LEU   B CG  
1444 C CD1 . LEU   B 89  ? 0.5817 0.6200 0.2673 0.2507  0.0486  -0.0159 98  LEU   B CD1 
1445 C CD2 . LEU   B 89  ? 0.5746 0.5968 0.2647 0.2281  0.0333  -0.0351 98  LEU   B CD2 
1446 N N   . ALA   B 90  ? 0.5665 0.6162 0.2650 0.2421  0.0665  0.0065  99  ALA   B N   
1447 C CA  . ALA   B 90  ? 0.5572 0.6152 0.2711 0.2357  0.0778  0.0178  99  ALA   B CA  
1448 C C   . ALA   B 90  ? 0.5570 0.6168 0.2806 0.2336  0.0834  0.0217  99  ALA   B C   
1449 O O   . ALA   B 90  ? 0.5803 0.6443 0.2954 0.2486  0.0845  0.0244  99  ALA   B O   
1450 C CB  . ALA   B 90  ? 0.5649 0.6353 0.2754 0.2486  0.0847  0.0290  99  ALA   B CB  
1451 N N   . VAL   B 91  ? 0.5432 0.6006 0.2831 0.2177  0.0876  0.0228  100 VAL   B N   
1452 C CA  . VAL   B 91  ? 0.5369 0.5949 0.2878 0.2140  0.0937  0.0272  100 VAL   B CA  
1453 C C   . VAL   B 91  ? 0.5359 0.5997 0.3019 0.2077  0.1037  0.0386  100 VAL   B C   
1454 O O   . VAL   B 91  ? 0.5151 0.5753 0.2942 0.1926  0.1048  0.0369  100 VAL   B O   
1455 C CB  . VAL   B 91  ? 0.5265 0.5758 0.2829 0.2009  0.0883  0.0169  100 VAL   B CB  
1456 C CG1 . VAL   B 91  ? 0.5297 0.5791 0.2947 0.1997  0.0934  0.0202  100 VAL   B CG1 
1457 C CG2 . VAL   B 91  ? 0.5292 0.5728 0.2727 0.2042  0.0774  0.0051  100 VAL   B CG2 
1458 N N   . PRO   B 92  ? 0.5430 0.6165 0.3083 0.2188  0.1112  0.0506  101 PRO   B N   
1459 C CA  . PRO   B 92  ? 0.5432 0.6231 0.3242 0.2124  0.1207  0.0621  101 PRO   B CA  
1460 C C   . PRO   B 92  ? 0.5493 0.6258 0.3435 0.2066  0.1271  0.0677  101 PRO   B C   
1461 O O   . PRO   B 92  ? 0.5641 0.6377 0.3527 0.2137  0.1267  0.0668  101 PRO   B O   
1462 C CB  . PRO   B 92  ? 0.5531 0.6457 0.3275 0.2282  0.1266  0.0738  101 PRO   B CB  
1463 C CG  . PRO   B 92  ? 0.5614 0.6531 0.3144 0.2433  0.1187  0.0663  101 PRO   B CG  
1464 C CD  . PRO   B 92  ? 0.5583 0.6382 0.3076 0.2384  0.1108  0.0539  101 PRO   B CD  
1465 N N   . PRO   B 93  ? 0.5490 0.6268 0.3614 0.1938  0.1330  0.0739  102 PRO   B N   
1466 C CA  . PRO   B 93  ? 0.5500 0.6221 0.3769 0.1851  0.1381  0.0779  102 PRO   B CA  
1467 C C   . PRO   B 93  ? 0.5644 0.6399 0.3883 0.1981  0.1451  0.0892  102 PRO   B C   
1468 O O   . PRO   B 93  ? 0.5674 0.6531 0.3887 0.2077  0.1505  0.0996  102 PRO   B O   
1469 C CB  . PRO   B 93  ? 0.5462 0.6218 0.3907 0.1727  0.1425  0.0835  102 PRO   B CB  
1470 C CG  . PRO   B 93  ? 0.5391 0.6175 0.3778 0.1696  0.1361  0.0755  102 PRO   B CG  
1471 C CD  . PRO   B 93  ? 0.5489 0.6330 0.3689 0.1867  0.1341  0.0762  102 PRO   B CD  
1472 N N   . GLY   B 94  ? 0.5726 0.6402 0.3949 0.1994  0.1442  0.0861  103 GLY   B N   
1473 C CA  . GLY   B 94  ? 0.5861 0.6548 0.4047 0.2117  0.1503  0.0956  103 GLY   B CA  
1474 C C   . GLY   B 94  ? 0.6047 0.6806 0.4041 0.2307  0.1485  0.0962  103 GLY   B C   
1475 O O   . GLY   B 94  ? 0.6172 0.6959 0.4126 0.2428  0.1544  0.1058  103 GLY   B O   
1476 N N   . GLU   B 95  ? 0.6076 0.6860 0.3949 0.2346  0.1407  0.0868  104 GLU   B N   
1477 C CA  . GLU   B 95  ? 0.6291 0.7149 0.3976 0.2538  0.1383  0.0873  104 GLU   B CA  
1478 C C   . GLU   B 95  ? 0.6399 0.7194 0.3960 0.2553  0.1266  0.0711  104 GLU   B C   
1479 O O   . GLU   B 95  ? 0.6269 0.6981 0.3898 0.2394  0.1205  0.0602  104 GLU   B O   
1480 C CB  . GLU   B 95  ? 0.6350 0.7313 0.4000 0.2592  0.1403  0.0931  104 GLU   B CB  
1481 C CG  . GLU   B 95  ? 0.6421 0.7461 0.4227 0.2545  0.1515  0.1087  104 GLU   B CG  
1482 C CD  . GLU   B 95  ? 0.6543 0.7706 0.4334 0.2586  0.1535  0.1142  104 GLU   B CD  
1483 O OE1 . GLU   B 95  ? 0.6610 0.7774 0.4276 0.2628  0.1455  0.1045  104 GLU   B OE1 
1484 O OE2 . GLU   B 95  ? 0.6610 0.7870 0.4507 0.2589  0.1633  0.1287  104 GLU   B OE2 
1485 N N   . ARG   B 96  ? 0.6527 0.7357 0.3924 0.2725  0.1232  0.0691  105 ARG   B N   
1486 C CA  . ARG   B 96  ? 0.6788 0.7559 0.4079 0.2739  0.1117  0.0538  105 ARG   B CA  
1487 C C   . ARG   B 96  ? 0.6612 0.7362 0.3843 0.2699  0.1033  0.0445  105 ARG   B C   
1488 O O   . ARG   B 96  ? 0.6571 0.7378 0.3777 0.2737  0.1059  0.0503  105 ARG   B O   
1489 C CB  . ARG   B 96  ? 0.7353 0.8168 0.4486 0.2937  0.1094  0.0532  105 ARG   B CB  
1490 C CG  . ARG   B 96  ? 0.7721 0.8485 0.4758 0.2948  0.0969  0.0372  105 ARG   B CG  
1491 C CD  . ARG   B 96  ? 0.8356 0.9154 0.5279 0.3112  0.0947  0.0355  105 ARG   B CD  
1492 N NE  . ARG   B 96  ? 0.8805 0.9693 0.5589 0.3321  0.0978  0.0433  105 ARG   B NE  
1493 C CZ  . ARG   B 96  ? 0.9274 1.0229 0.6067 0.3418  0.1087  0.0579  105 ARG   B CZ  
1494 N NH1 . ARG   B 96  ? 0.9401 1.0324 0.6338 0.3320  0.1169  0.0656  105 ARG   B NH1 
1495 N NH2 . ARG   B 96  ? 0.9700 1.0749 0.6355 0.3616  0.1112  0.0648  105 ARG   B NH2 
1496 N N   . ALA   B 97  ? 0.6482 0.7147 0.3704 0.2606  0.0935  0.0303  106 ALA   B N   
1497 C CA  . ALA   B 97  ? 0.6425 0.7048 0.3560 0.2586  0.0837  0.0202  106 ALA   B CA  
1498 C C   . ALA   B 97  ? 0.6593 0.7271 0.3551 0.2782  0.0809  0.0213  106 ALA   B C   
1499 O O   . ALA   B 97  ? 0.6506 0.7226 0.3374 0.2929  0.0807  0.0224  106 ALA   B O   
1500 C CB  . ALA   B 97  ? 0.6475 0.7016 0.3605 0.2500  0.0739  0.0064  106 ALA   B CB  
1501 N N   . LYS   B 98  ? 0.6573 0.7255 0.3476 0.2796  0.0786  0.0210  107 LYS   B N   
1502 C CA  . LYS   B 98  ? 0.6930 0.7665 0.3654 0.2991  0.0754  0.0215  107 LYS   B CA  
1503 C C   . LYS   B 98  ? 0.7002 0.7658 0.3639 0.2962  0.0653  0.0115  107 LYS   B C   
1504 O O   . LYS   B 98  ? 0.6962 0.7592 0.3683 0.2837  0.0668  0.0123  107 LYS   B O   
1505 C CB  . LYS   B 98  ? 0.7068 0.7929 0.3817 0.3075  0.0869  0.0370  107 LYS   B CB  
1506 C CG  . LYS   B 98  ? 0.7438 0.8385 0.4002 0.3303  0.0858  0.0399  107 LYS   B CG  
1507 C CD  . LYS   B 98  ? 0.7692 0.8780 0.4297 0.3366  0.0973  0.0555  107 LYS   B CD  
1508 C CE  . LYS   B 98  ? 0.7746 0.8833 0.4554 0.3169  0.1042  0.0614  107 LYS   B CE  
1509 N NZ  . LYS   B 98  ? 0.7983 0.9204 0.4819 0.3218  0.1120  0.0732  107 LYS   B NZ  
1510 N N   . ASN   B 99  ? 0.6963 0.7585 0.3425 0.3098  0.0552  0.0025  108 ASN   B N   
1511 C CA  . ASN   B 99  ? 0.7029 0.7567 0.3371 0.3115  0.0449  -0.0065 108 ASN   B CA  
1512 C C   . ASN   B 99  ? 0.7023 0.7650 0.3271 0.3257  0.0489  0.0012  108 ASN   B C   
1513 O O   . ASN   B 99  ? 0.7073 0.7801 0.3200 0.3467  0.0513  0.0063  108 ASN   B O   
1514 C CB  . ASN   B 99  ? 0.7109 0.7555 0.3316 0.3182  0.0312  -0.0204 108 ASN   B CB  
1515 C CG  . ASN   B 99  ? 0.7119 0.7493 0.3416 0.3046  0.0264  -0.0285 108 ASN   B CG  
1516 O OD1 . ASN   B 99  ? 0.7194 0.7631 0.3582 0.3029  0.0330  -0.0238 108 ASN   B OD1 
1517 N ND2 . ASN   B 99  ? 0.7078 0.7318 0.3368 0.2929  0.0155  -0.0403 108 ASN   B ND2 
1518 N N   . ILE   B 100 ? 0.6821 0.7420 0.3102 0.3171  0.0490  0.0017  109 ILE   B N   
1519 C CA  . ILE   B 100 ? 0.6817 0.7490 0.2995 0.3300  0.0506  0.0067  109 ILE   B CA  
1520 C C   . ILE   B 100 ? 0.6823 0.7356 0.2872 0.3298  0.0380  -0.0054 109 ILE   B C   
1521 O O   . ILE   B 100 ? 0.6607 0.7030 0.2743 0.3113  0.0348  -0.0106 109 ILE   B O   
1522 C CB  . ILE   B 100 ? 0.6763 0.7551 0.3087 0.3226  0.0627  0.0195  109 ILE   B CB  
1523 C CG1 . ILE   B 100 ? 0.6749 0.7626 0.3238 0.3168  0.0744  0.0304  109 ILE   B CG1 
1524 C CG2 . ILE   B 100 ? 0.6870 0.7776 0.3086 0.3390  0.0655  0.0261  109 ILE   B CG2 
1525 C CD1 . ILE   B 100 ? 0.6893 0.7901 0.3312 0.3359  0.0807  0.0398  109 ILE   B CD1 
1526 N N   . GLN   B 101 ? 0.6962 0.7488 0.2807 0.3497  0.0307  -0.0100 110 GLN   B N   
1527 C CA  . GLN   B 101 ? 0.7118 0.7493 0.2819 0.3519  0.0175  -0.0220 110 GLN   B CA  
1528 C C   . GLN   B 101 ? 0.7142 0.7582 0.2782 0.3592  0.0208  -0.0162 110 GLN   B C   
1529 O O   . GLN   B 101 ? 0.7184 0.7792 0.2842 0.3683  0.0306  -0.0048 110 GLN   B O   
1530 C CB  . GLN   B 101 ? 0.7389 0.7701 0.2898 0.3691  0.0062  -0.0320 110 GLN   B CB  
1531 C CG  . GLN   B 101 ? 0.7515 0.7651 0.2872 0.3716  -0.0080 -0.0445 110 GLN   B CG  
1532 C CD  . GLN   B 101 ? 0.7698 0.7740 0.2916 0.3825  -0.0208 -0.0566 110 GLN   B CD  
1533 O OE1 . GLN   B 101 ? 0.7768 0.7811 0.3061 0.3770  -0.0216 -0.0594 110 GLN   B OE1 
1534 N NE2 . GLN   B 101 ? 0.7843 0.7817 0.2844 0.4006  -0.0310 -0.0638 110 GLN   B NE2 
1535 N N   . THR   B 102 ? 0.7048 0.7347 0.2685 0.3474  0.0142  -0.0230 111 THR   B N   
1536 C CA  . THR   B 102 ? 0.7028 0.7369 0.2622 0.3511  0.0164  -0.0189 111 THR   B CA  
1537 C C   . THR   B 102 ? 0.7091 0.7208 0.2576 0.3456  0.0028  -0.0316 111 THR   B C   
1538 O O   . THR   B 102 ? 0.7237 0.7170 0.2738 0.3325  -0.0061 -0.0418 111 THR   B O   
1539 C CB  . THR   B 102 ? 0.6782 0.7254 0.2588 0.3368  0.0295  -0.0073 111 THR   B CB  
1540 O OG1 . THR   B 102 ? 0.6841 0.7427 0.2633 0.3424  0.0345  -0.0002 111 THR   B OG1 
1541 C CG2 . THR   B 102 ? 0.6649 0.6996 0.2592 0.3130  0.0277  -0.0119 111 THR   B CG2 
1542 N N   . LEU   B 103 ? 0.7112 0.7259 0.2466 0.3586  0.0016  -0.0301 112 LEU   B N   
1543 C CA  . LEU   B 103 ? 0.7141 0.7097 0.2395 0.3544  -0.0088 -0.0391 112 LEU   B CA  
1544 C C   . LEU   B 103 ? 0.6911 0.6916 0.2315 0.3385  -0.0011 -0.0326 112 LEU   B C   
1545 O O   . LEU   B 103 ? 0.6894 0.7085 0.2343 0.3439  0.0084  -0.0226 112 LEU   B O   
1546 C CB  . LEU   B 103 ? 0.7317 0.7250 0.2333 0.3771  -0.0161 -0.0428 112 LEU   B CB  
1547 C CG  . LEU   B 103 ? 0.7486 0.7195 0.2388 0.3731  -0.0275 -0.0523 112 LEU   B CG  
1548 C CD1 . LEU   B 103 ? 0.7592 0.7060 0.2446 0.3656  -0.0406 -0.0650 112 LEU   B CD1 
1549 C CD2 . LEU   B 103 ? 0.7732 0.7447 0.2415 0.3952  -0.0325 -0.0538 112 LEU   B CD2 
1550 N N   A PRO   B 104 ? 0.6824 0.6684 0.2327 0.3179  -0.0042 -0.0376 113 PRO   B N   
1551 N N   B PRO   B 104 ? 0.6824 0.6684 0.2327 0.3179  -0.0042 -0.0376 113 PRO   B N   
1552 N N   C PRO   B 104 ? 0.6822 0.6686 0.2330 0.3177  -0.0040 -0.0373 113 PRO   B N   
1553 N N   D PRO   B 104 ? 0.6822 0.6686 0.2330 0.3177  -0.0040 -0.0373 113 PRO   B N   
1554 N N   E PRO   B 104 ? 0.6822 0.6686 0.2330 0.3177  -0.0040 -0.0373 113 PRO   B N   
1555 C CA  A PRO   B 104 ? 0.6691 0.6578 0.2311 0.3039  0.0011  -0.0331 113 PRO   B CA  
1556 C CA  B PRO   B 104 ? 0.6690 0.6577 0.2310 0.3039  0.0011  -0.0331 113 PRO   B CA  
1557 C CA  C PRO   B 104 ? 0.6670 0.6578 0.2316 0.3029  0.0026  -0.0321 113 PRO   B CA  
1558 C CA  D PRO   B 104 ? 0.6670 0.6578 0.2316 0.3029  0.0026  -0.0321 113 PRO   B CA  
1559 C CA  E PRO   B 104 ? 0.6670 0.6578 0.2316 0.3029  0.0026  -0.0321 113 PRO   B CA  
1560 C C   A PRO   B 104 ? 0.6819 0.6689 0.2295 0.3149  -0.0023 -0.0337 113 PRO   B C   
1561 C C   B PRO   B 104 ? 0.6819 0.6689 0.2295 0.3148  -0.0023 -0.0337 113 PRO   B C   
1562 C C   C PRO   B 104 ? 0.6772 0.6687 0.2299 0.3124  0.0007  -0.0313 113 PRO   B C   
1563 C C   D PRO   B 104 ? 0.6772 0.6687 0.2299 0.3124  0.0007  -0.0313 113 PRO   B C   
1564 C C   E PRO   B 104 ? 0.6772 0.6687 0.2299 0.3124  0.0007  -0.0313 113 PRO   B C   
1565 O O   A PRO   B 104 ? 0.7005 0.6730 0.2283 0.3267  -0.0131 -0.0417 113 PRO   B O   
1566 O O   B PRO   B 104 ? 0.7004 0.6729 0.2282 0.3267  -0.0131 -0.0417 113 PRO   B O   
1567 O O   C PRO   B 104 ? 0.6962 0.6737 0.2292 0.3240  -0.0097 -0.0390 113 PRO   B O   
1568 O O   D PRO   B 104 ? 0.6962 0.6737 0.2292 0.3241  -0.0097 -0.0390 113 PRO   B O   
1569 O O   E PRO   B 104 ? 0.6962 0.6737 0.2292 0.3240  -0.0097 -0.0390 113 PRO   B O   
1570 C CB  A PRO   B 104 ? 0.6647 0.6342 0.2330 0.2842  -0.0049 -0.0408 113 PRO   B CB  
1571 C CB  B PRO   B 104 ? 0.6646 0.6342 0.2330 0.2842  -0.0049 -0.0408 113 PRO   B CB  
1572 C CB  C PRO   B 104 ? 0.6623 0.6340 0.2332 0.2831  -0.0035 -0.0398 113 PRO   B CB  
1573 C CB  D PRO   B 104 ? 0.6623 0.6340 0.2332 0.2831  -0.0035 -0.0398 113 PRO   B CB  
1574 C CB  E PRO   B 104 ? 0.6623 0.6340 0.2332 0.2831  -0.0035 -0.0398 113 PRO   B CB  
1575 C CG  A PRO   B 104 ? 0.6670 0.6312 0.2357 0.2839  -0.0091 -0.0459 113 PRO   B CG  
1576 C CG  B PRO   B 104 ? 0.6669 0.6311 0.2357 0.2839  -0.0091 -0.0459 113 PRO   B CG  
1577 C CG  C PRO   B 104 ? 0.6671 0.6315 0.2360 0.2841  -0.0090 -0.0459 113 PRO   B CG  
1578 C CG  D PRO   B 104 ? 0.6671 0.6315 0.2360 0.2841  -0.0090 -0.0459 113 PRO   B CG  
1579 C CG  E PRO   B 104 ? 0.6671 0.6315 0.2360 0.2841  -0.0090 -0.0459 113 PRO   B CG  
1580 C CD  A PRO   B 104 ? 0.6833 0.6515 0.2344 0.3073  -0.0129 -0.0471 113 PRO   B CD  
1581 C CD  B PRO   B 104 ? 0.6832 0.6514 0.2343 0.3073  -0.0129 -0.0471 113 PRO   B CD  
1582 C CD  C PRO   B 104 ? 0.6843 0.6519 0.2347 0.3077  -0.0133 -0.0474 113 PRO   B CD  
1583 C CD  D PRO   B 104 ? 0.6843 0.6519 0.2347 0.3077  -0.0133 -0.0474 113 PRO   B CD  
1584 C CD  E PRO   B 104 ? 0.6843 0.6519 0.2347 0.3077  -0.0133 -0.0474 113 PRO   B CD  
1585 N N   A GLY   B 105 ? 0.6720 0.6738 0.2298 0.3110  0.0064  -0.0255 114 GLY   B N   
1586 N N   B GLY   B 105 ? 0.6720 0.6738 0.2297 0.3110  0.0064  -0.0255 114 GLY   B N   
1587 N N   C GLY   B 105 ? 0.6656 0.6734 0.2304 0.3079  0.0105  -0.0224 114 GLY   B N   
1588 N N   D GLY   B 105 ? 0.6656 0.6734 0.2304 0.3079  0.0105  -0.0224 114 GLY   B N   
1589 N N   E GLY   B 105 ? 0.6656 0.6734 0.2304 0.3079  0.0105  -0.0224 114 GLY   B N   
1590 C CA  A GLY   B 105 ? 0.6797 0.6781 0.2283 0.3145  0.0034  -0.0266 114 GLY   B CA  
1591 C CA  B GLY   B 105 ? 0.6796 0.6780 0.2282 0.3145  0.0033  -0.0266 114 GLY   B CA  
1592 C CA  C GLY   B 105 ? 0.6700 0.6775 0.2291 0.3096  0.0092  -0.0221 114 GLY   B CA  
1593 C CA  D GLY   B 105 ? 0.6700 0.6775 0.2291 0.3096  0.0092  -0.0221 114 GLY   B CA  
1594 C CA  E GLY   B 105 ? 0.6700 0.6775 0.2291 0.3096  0.0092  -0.0221 114 GLY   B CA  
1595 C C   A GLY   B 105 ? 0.6763 0.6581 0.2313 0.2948  -0.0003 -0.0315 114 GLY   B C   
1596 C C   B GLY   B 105 ? 0.6762 0.6580 0.2313 0.2947  -0.0003 -0.0315 114 GLY   B C   
1597 C C   C GLY   B 105 ? 0.6661 0.6563 0.2310 0.2901  0.0050  -0.0277 114 GLY   B C   
1598 C C   D GLY   B 105 ? 0.6660 0.6563 0.2310 0.2901  0.0050  -0.0277 114 GLY   B C   
1599 C C   E GLY   B 105 ? 0.6661 0.6563 0.2310 0.2901  0.0050  -0.0277 114 GLY   B C   
1600 O O   A GLY   B 105 ? 0.6692 0.6366 0.2292 0.2819  -0.0044 -0.0371 114 GLY   B O   
1601 O O   B GLY   B 105 ? 0.6689 0.6364 0.2291 0.2818  -0.0043 -0.0370 114 GLY   B O   
1602 O O   C GLY   B 105 ? 0.6593 0.6382 0.2320 0.2763  0.0026  -0.0319 114 GLY   B O   
1603 O O   D GLY   B 105 ? 0.6593 0.6382 0.2320 0.2762  0.0027  -0.0319 114 GLY   B O   
1604 O O   E GLY   B 105 ? 0.6593 0.6382 0.2320 0.2763  0.0026  -0.0319 114 GLY   B O   
1605 N N   A ILE   B 106 ? 0.6770 0.6631 0.2336 0.2920  0.0020  -0.0288 115 ILE   B N   
1606 N N   B ILE   B 106 ? 0.6770 0.6631 0.2336 0.2920  0.0020  -0.0287 115 ILE   B N   
1607 N N   C ILE   B 106 ? 0.6712 0.6607 0.2322 0.2898  0.0041  -0.0273 115 ILE   B N   
1608 N N   D ILE   B 106 ? 0.6712 0.6607 0.2322 0.2898  0.0041  -0.0273 115 ILE   B N   
1609 N N   E ILE   B 106 ? 0.6712 0.6607 0.2322 0.2898  0.0041  -0.0273 115 ILE   B N   
1610 C CA  A ILE   B 106 ? 0.6769 0.6481 0.2370 0.2757  -0.0015 -0.0329 115 ILE   B CA  
1611 C CA  B ILE   B 106 ? 0.6769 0.6481 0.2370 0.2757  -0.0015 -0.0329 115 ILE   B CA  
1612 C CA  C ILE   B 106 ? 0.6730 0.6446 0.2346 0.2748  -0.0010 -0.0327 115 ILE   B CA  
1613 C CA  D ILE   B 106 ? 0.6730 0.6446 0.2346 0.2748  -0.0010 -0.0327 115 ILE   B CA  
1614 C CA  E ILE   B 106 ? 0.6730 0.6446 0.2346 0.2748  -0.0010 -0.0327 115 ILE   B CA  
1615 C C   A ILE   B 106 ? 0.6612 0.6503 0.2391 0.2656  0.0084  -0.0254 115 ILE   B C   
1616 C C   B ILE   B 106 ? 0.6612 0.6503 0.2391 0.2656  0.0084  -0.0254 115 ILE   B C   
1617 C C   C ILE   B 106 ? 0.6613 0.6477 0.2371 0.2658  0.0071  -0.0264 115 ILE   B C   
1618 C C   D ILE   B 106 ? 0.6613 0.6477 0.2371 0.2658  0.0071  -0.0264 115 ILE   B C   
1619 C C   E ILE   B 106 ? 0.6613 0.6477 0.2371 0.2658  0.0071  -0.0264 115 ILE   B C   
1620 O O   A ILE   B 106 ? 0.6595 0.6681 0.2388 0.2758  0.0143  -0.0188 115 ILE   B O   
1621 O O   B ILE   B 106 ? 0.6595 0.6682 0.2389 0.2758  0.0143  -0.0188 115 ILE   B O   
1622 O O   C ILE   B 106 ? 0.6636 0.6648 0.2359 0.2773  0.0104  -0.0217 115 ILE   B O   
1623 O O   D ILE   B 106 ? 0.6636 0.6648 0.2359 0.2773  0.0105  -0.0217 115 ILE   B O   
1624 O O   E ILE   B 106 ? 0.6636 0.6648 0.2359 0.2773  0.0104  -0.0217 115 ILE   B O   
1625 C CB  A ILE   B 106 ? 0.6991 0.6510 0.2372 0.2846  -0.0123 -0.0398 115 ILE   B CB  
1626 C CB  B ILE   B 106 ? 0.6992 0.6511 0.2373 0.2846  -0.0123 -0.0398 115 ILE   B CB  
1627 C CB  C ILE   B 106 ? 0.6958 0.6457 0.2336 0.2851  -0.0134 -0.0409 115 ILE   B CB  
1628 C CB  D ILE   B 106 ? 0.6958 0.6457 0.2336 0.2851  -0.0134 -0.0409 115 ILE   B CB  
1629 C CB  E ILE   B 106 ? 0.6958 0.6457 0.2336 0.2851  -0.0134 -0.0409 115 ILE   B CB  
1630 C CG1 A ILE   B 106 ? 0.7202 0.6550 0.2391 0.2975  -0.0232 -0.0476 115 ILE   B CG1 
1631 C CG1 B ILE   B 106 ? 0.7203 0.6551 0.2391 0.2975  -0.0232 -0.0476 115 ILE   B CG1 
1632 C CG1 C ILE   B 106 ? 0.7084 0.6379 0.2363 0.2861  -0.0234 -0.0495 115 ILE   B CG1 
1633 C CG1 D ILE   B 106 ? 0.7084 0.6379 0.2363 0.2861  -0.0234 -0.0495 115 ILE   B CG1 
1634 C CG1 E ILE   B 106 ? 0.7084 0.6379 0.2363 0.2861  -0.0234 -0.0495 115 ILE   B CG1 
1635 C CG2 A ILE   B 106 ? 0.6972 0.6328 0.2388 0.2674  -0.0157 -0.0433 115 ILE   B CG2 
1636 C CG2 B ILE   B 106 ? 0.6973 0.6329 0.2388 0.2674  -0.0157 -0.0433 115 ILE   B CG2 
1637 C CG2 C ILE   B 106 ? 0.6966 0.6350 0.2336 0.2744  -0.0160 -0.0429 115 ILE   B CG2 
1638 C CG2 D ILE   B 106 ? 0.6966 0.6350 0.2336 0.2745  -0.0160 -0.0429 115 ILE   B CG2 
1639 C CG2 E ILE   B 106 ? 0.6966 0.6350 0.2336 0.2744  -0.0160 -0.0429 115 ILE   B CG2 
1640 C CD1 A ILE   B 106 ? 0.7198 0.6374 0.2430 0.2845  -0.0287 -0.0538 115 ILE   B CD1 
1641 C CD1 B ILE   B 106 ? 0.7198 0.6375 0.2430 0.2845  -0.0287 -0.0538 115 ILE   B CD1 
1642 C CD1 C ILE   B 106 ? 0.7345 0.6413 0.2382 0.2979  -0.0364 -0.0578 115 ILE   B CD1 
1643 C CD1 D ILE   B 106 ? 0.7345 0.6413 0.2382 0.2979  -0.0364 -0.0578 115 ILE   B CD1 
1644 C CD1 E ILE   B 106 ? 0.7345 0.6413 0.2382 0.2979  -0.0364 -0.0578 115 ILE   B CD1 
1645 N N   . PHE   B 107 ? 0.6482 0.6312 0.2394 0.2464  0.0097  -0.0267 116 PHE   B N   
1646 C CA  . PHE   B 107 ? 0.6490 0.6411 0.2524 0.2359  0.0150  -0.0232 116 PHE   B CA  
1647 C C   . PHE   B 107 ? 0.6818 0.6524 0.2699 0.2342  0.0058  -0.0300 116 PHE   B C   
1648 O O   . PHE   B 107 ? 0.7107 0.6601 0.2962 0.2228  -0.0005 -0.0361 116 PHE   B O   
1649 C CB  . PHE   B 107 ? 0.6298 0.6244 0.2537 0.2169  0.0204  -0.0220 116 PHE   B CB  
1650 C CG  . PHE   B 107 ? 0.6151 0.6310 0.2582 0.2142  0.0308  -0.0144 116 PHE   B CG  
1651 C CD1 . PHE   B 107 ? 0.6190 0.6520 0.2616 0.2281  0.0358  -0.0078 116 PHE   B CD1 
1652 C CD2 . PHE   B 107 ? 0.5985 0.6173 0.2604 0.1973  0.0357  -0.0134 116 PHE   B CD2 
1653 C CE1 . PHE   B 107 ? 0.6087 0.6598 0.2697 0.2244  0.0456  0.0000  116 PHE   B CE1 
1654 C CE2 . PHE   B 107 ? 0.5868 0.6229 0.2666 0.1941  0.0449  -0.0064 116 PHE   B CE2 
1655 C CZ  . PHE   B 107 ? 0.5912 0.6429 0.2708 0.2072  0.0498  0.0005  116 PHE   B CZ  
1656 N N   . LYS   B 108 ? 0.7028 0.6810 0.2820 0.2453  0.0057  -0.0279 117 LYS   B N   
1657 C CA  . LYS   B 108 ? 0.7409 0.7012 0.3070 0.2436  -0.0015 -0.0328 117 LYS   B CA  
1658 C C   . LYS   B 108 ? 0.7206 0.6899 0.3033 0.2280  0.0043  -0.0300 117 LYS   B C   
1659 O O   . LYS   B 108 ? 0.7191 0.7142 0.3159 0.2294  0.0129  -0.0236 117 LYS   B O   
1660 C CB  . LYS   B 108 ? 0.7820 0.7417 0.3277 0.2637  -0.0063 -0.0336 117 LYS   B CB  
1661 C CG  . LYS   B 108 ? 0.8352 0.7857 0.3641 0.2795  -0.0127 -0.0371 117 LYS   B CG  
1662 C CD  . LYS   B 108 ? 0.8801 0.8292 0.3867 0.3019  -0.0183 -0.0388 117 LYS   B CD  
1663 C CE  . LYS   B 108 ? 0.9257 0.8665 0.4180 0.3162  -0.0245 -0.0429 117 LYS   B CE  
1664 N NZ  . LYS   B 108 ? 0.9584 0.9037 0.4303 0.3406  -0.0283 -0.0435 117 LYS   B NZ  
1665 N N   . THR   B 109 ? 0.7269 0.6783 0.3100 0.2141  0.0005  -0.0342 118 THR   B N   
1666 C CA  . THR   B 109 ? 0.7245 0.6817 0.3204 0.2001  0.0047  -0.0328 118 THR   B CA  
1667 C C   . THR   B 109 ? 0.7472 0.6841 0.3278 0.1989  -0.0025 -0.0368 118 THR   B C   
1668 O O   . THR   B 109 ? 0.7619 0.6777 0.3243 0.2056  -0.0109 -0.0409 118 THR   B O   
1669 C CB  . THR   B 109 ? 0.7046 0.6629 0.3189 0.1825  0.0089  -0.0328 118 THR   B CB  
1670 O OG1 . THR   B 109 ? 0.7081 0.6432 0.3145 0.1749  0.0022  -0.0378 118 THR   B OG1 
1671 C CG2 . THR   B 109 ? 0.6950 0.6648 0.3207 0.1833  0.0139  -0.0301 118 THR   B CG2 
1672 N N   . LYS   B 110 ? 0.7633 0.7064 0.3514 0.1905  0.0005  -0.0356 119 LYS   B N   
1673 C CA  . LYS   B 110 ? 0.7878 0.7135 0.3619 0.1894  -0.0052 -0.0382 119 LYS   B CA  
1674 C C   . LYS   B 110 ? 0.8049 0.7068 0.3751 0.1781  -0.0102 -0.0417 119 LYS   B C   
1675 O O   . LYS   B 110 ? 0.8602 0.7403 0.4130 0.1806  -0.0175 -0.0441 119 LYS   B O   
1676 C CB  . LYS   B 110 ? 0.7855 0.7257 0.3693 0.1835  -0.0004 -0.0362 119 LYS   B CB  
1677 C CG  . LYS   B 110 ? 0.7790 0.7300 0.3845 0.1671  0.0059  -0.0351 119 LYS   B CG  
1678 C CD  . LYS   B 110 ? 0.7967 0.7616 0.4105 0.1626  0.0095  -0.0341 119 LYS   B CD  
1679 C CE  . LYS   B 110 ? 0.8161 0.7731 0.4355 0.1479  0.0099  -0.0358 119 LYS   B CE  
1680 N NZ  . LYS   B 110 ? 0.8133 0.7725 0.4480 0.1368  0.0135  -0.0359 119 LYS   B NZ  
1681 N N   . ASP   B 111 ? 0.7760 0.6814 0.3610 0.1674  -0.0069 -0.0417 120 ASP   B N   
1682 C CA  . ASP   B 111 ? 0.7879 0.6750 0.3730 0.1552  -0.0107 -0.0445 120 ASP   B CA  
1683 C C   . ASP   B 111 ? 0.7999 0.6746 0.3778 0.1601  -0.0164 -0.0476 120 ASP   B C   
1684 O O   . ASP   B 111 ? 0.8080 0.6705 0.3888 0.1497  -0.0192 -0.0498 120 ASP   B O   
1685 C CB  . ASP   B 111 ? 0.7766 0.6755 0.3824 0.1397  -0.0038 -0.0430 120 ASP   B CB  
1686 C CG  . ASP   B 111 ? 0.7840 0.6937 0.3963 0.1345  0.0006  -0.0410 120 ASP   B CG  
1687 O OD1 . ASP   B 111 ? 0.7953 0.6932 0.3952 0.1356  -0.0032 -0.0416 120 ASP   B OD1 
1688 O OD2 . ASP   B 111 ? 0.7814 0.7108 0.4103 0.1305  0.0076  -0.0390 120 ASP   B OD2 
1689 N N   . GLY   B 112 ? 0.7903 0.6698 0.3600 0.1756  -0.0178 -0.0477 121 GLY   B N   
1690 C CA  . GLY   B 112 ? 0.8060 0.6736 0.3660 0.1833  -0.0244 -0.0515 121 GLY   B CA  
1691 C C   . GLY   B 112 ? 0.7892 0.6756 0.3557 0.1927  -0.0195 -0.0493 121 GLY   B C   
1692 O O   . GLY   B 112 ? 0.7642 0.6725 0.3460 0.1900  -0.0104 -0.0444 121 GLY   B O   
1693 N N   . ASP   B 113 ? 0.8004 0.6774 0.3550 0.2035  -0.0259 -0.0530 122 ASP   B N   
1694 C CA  . ASP   B 113 ? 0.8025 0.6947 0.3590 0.2155  -0.0227 -0.0512 122 ASP   B CA  
1695 C C   . ASP   B 113 ? 0.7767 0.6741 0.3498 0.2037  -0.0189 -0.0511 122 ASP   B C   
1696 O O   . ASP   B 113 ? 0.7759 0.6602 0.3515 0.1929  -0.0229 -0.0549 122 ASP   B O   
1697 C CB  . ASP   B 113 ? 0.8469 0.7258 0.3817 0.2331  -0.0321 -0.0560 122 ASP   B CB  
1698 C CG  . ASP   B 113 ? 0.8712 0.7527 0.3910 0.2489  -0.0336 -0.0548 122 ASP   B CG  
1699 O OD1 . ASP   B 113 ? 0.8955 0.7877 0.4218 0.2446  -0.0279 -0.0505 122 ASP   B OD1 
1700 O OD2 . ASP   B 113 ? 0.9408 0.8141 0.4422 0.2659  -0.0408 -0.0586 122 ASP   B OD2 
1701 N N   . ILE   B 114 ? 0.7352 0.6530 0.3174 0.2101  -0.0116 -0.0466 123 ILE   B N   
1702 C CA  . ILE   B 114 ? 0.7095 0.6352 0.3076 0.2012  -0.0067 -0.0454 123 ILE   B CA  
1703 C C   . ILE   B 114 ? 0.6924 0.6296 0.2874 0.2164  -0.0046 -0.0432 123 ILE   B C   
1704 O O   . ILE   B 114 ? 0.6844 0.6369 0.2779 0.2277  0.0003  -0.0377 123 ILE   B O   
1705 C CB  . ILE   B 114 ? 0.6897 0.6312 0.3089 0.1876  0.0033  -0.0399 123 ILE   B CB  
1706 C CG1 . ILE   B 114 ? 0.7013 0.6376 0.3222 0.1772  0.0031  -0.0404 123 ILE   B CG1 
1707 C CG2 . ILE   B 114 ? 0.6889 0.6328 0.3223 0.1767  0.0063  -0.0404 123 ILE   B CG2 
1708 C CD1 . ILE   B 114 ? 0.6818 0.6343 0.3230 0.1653  0.0123  -0.0359 123 ILE   B CD1 
1709 N N   . GLY   B 115 ? 0.6848 0.6170 0.2798 0.2167  -0.0078 -0.0467 124 GLY   B N   
1710 C CA  . GLY   B 115 ? 0.6597 0.6047 0.2526 0.2312  -0.0048 -0.0438 124 GLY   B CA  
1711 C C   . GLY   B 115 ? 0.6357 0.6041 0.2456 0.2291  0.0078  -0.0342 124 GLY   B C   
1712 O O   . GLY   B 115 ? 0.6080 0.5810 0.2347 0.2131  0.0136  -0.0316 124 GLY   B O   
1713 N N   . ALA   B 116 ? 0.6271 0.6108 0.2341 0.2444  0.0125  -0.0285 125 ALA   B N   
1714 C CA  . ALA   B 116 ? 0.6138 0.6197 0.2379 0.2424  0.0248  -0.0185 125 ALA   B CA  
1715 C C   . ALA   B 116 ? 0.6237 0.6401 0.2448 0.2565  0.0280  -0.0144 125 ALA   B C   
1716 O O   . ALA   B 116 ? 0.6405 0.6528 0.2436 0.2728  0.0219  -0.0176 125 ALA   B O   
1717 C CB  . ALA   B 116 ? 0.6139 0.6335 0.2401 0.2465  0.0299  -0.0123 125 ALA   B CB  
1718 N N   A VAL   B 117 ? 0.6087 0.6376 0.2463 0.2508  0.0370  -0.0076 126 VAL   B N   
1719 N N   B VAL   B 117 ? 0.6106 0.6405 0.2485 0.2512  0.0374  -0.0072 126 VAL   B N   
1720 N N   C VAL   B 117 ? 0.6108 0.6406 0.2487 0.2510  0.0374  -0.0072 126 VAL   B N   
1721 N N   D VAL   B 117 ? 0.6108 0.6406 0.2487 0.2510  0.0374  -0.0072 126 VAL   B N   
1722 N N   E VAL   B 117 ? 0.6108 0.6406 0.2487 0.2510  0.0374  -0.0072 126 VAL   B N   
1723 C CA  A VAL   B 117 ? 0.6137 0.6554 0.2502 0.2644  0.0421  -0.0015 126 VAL   B CA  
1724 C CA  B VAL   B 117 ? 0.6163 0.6569 0.2535 0.2632  0.0419  -0.0019 126 VAL   B CA  
1725 C CA  C VAL   B 117 ? 0.6166 0.6568 0.2537 0.2630  0.0418  -0.0021 126 VAL   B CA  
1726 C CA  D VAL   B 117 ? 0.6166 0.6568 0.2537 0.2630  0.0418  -0.0021 126 VAL   B CA  
1727 C CA  E VAL   B 117 ? 0.6166 0.6568 0.2537 0.2630  0.0418  -0.0021 126 VAL   B CA  
1728 C C   A VAL   B 117 ? 0.6068 0.6707 0.2560 0.2665  0.0539  0.0109  126 VAL   B C   
1729 C C   B VAL   B 117 ? 0.6097 0.6730 0.2598 0.2661  0.0542  0.0108  126 VAL   B C   
1730 C C   C VAL   B 117 ? 0.6106 0.6735 0.2602 0.2664  0.0539  0.0106  126 VAL   B C   
1731 C C   D VAL   B 117 ? 0.6106 0.6735 0.2602 0.2664  0.0539  0.0106  126 VAL   B C   
1732 C C   E VAL   B 117 ? 0.6106 0.6735 0.2602 0.2664  0.0539  0.0106  126 VAL   B C   
1733 O O   A VAL   B 117 ? 0.5921 0.6609 0.2579 0.2521  0.0593  0.0143  126 VAL   B O   
1734 O O   B VAL   B 117 ? 0.5948 0.6638 0.2641 0.2514  0.0610  0.0153  126 VAL   B O   
1735 O O   C VAL   B 117 ? 0.5954 0.6646 0.2642 0.2519  0.0610  0.0154  126 VAL   B O   
1736 O O   D VAL   B 117 ? 0.5954 0.6646 0.2642 0.2519  0.0610  0.0154  126 VAL   B O   
1737 O O   E VAL   B 117 ? 0.5954 0.6646 0.2642 0.2519  0.0610  0.0154  126 VAL   B O   
1738 C CB  A VAL   B 117 ? 0.6080 0.6450 0.2511 0.2584  0.0423  -0.0036 126 VAL   B CB  
1739 C CB  B VAL   B 117 ? 0.6111 0.6443 0.2559 0.2537  0.0411  -0.0055 126 VAL   B CB  
1740 C CB  C VAL   B 117 ? 0.6111 0.6441 0.2560 0.2536  0.0411  -0.0056 126 VAL   B CB  
1741 C CB  D VAL   B 117 ? 0.6111 0.6441 0.2560 0.2536  0.0411  -0.0056 126 VAL   B CB  
1742 C CB  E VAL   B 117 ? 0.6111 0.6441 0.2560 0.2536  0.0411  -0.0056 126 VAL   B CB  
1743 C CG1 A VAL   B 117 ? 0.6217 0.6411 0.2488 0.2633  0.0303  -0.0148 126 VAL   B CG1 
1744 C CG1 B VAL   B 117 ? 0.6108 0.6572 0.2607 0.2620  0.0487  0.0020  126 VAL   B CG1 
1745 C CG1 C VAL   B 117 ? 0.6107 0.6571 0.2606 0.2619  0.0487  0.0021  126 VAL   B CG1 
1746 C CG1 D VAL   B 117 ? 0.6107 0.6571 0.2607 0.2619  0.0487  0.0021  126 VAL   B CG1 
1747 C CG1 E VAL   B 117 ? 0.6107 0.6571 0.2606 0.2619  0.0487  0.0021  126 VAL   B CG1 
1748 C CG2 A VAL   B 117 ? 0.5902 0.6254 0.2529 0.2376  0.0467  -0.0031 126 VAL   B CG2 
1749 C CG2 B VAL   B 117 ? 0.6230 0.6368 0.2532 0.2553  0.0286  -0.0174 126 VAL   B CG2 
1750 C CG2 C VAL   B 117 ? 0.6230 0.6367 0.2532 0.2553  0.0286  -0.0174 126 VAL   B CG2 
1751 C CG2 D VAL   B 117 ? 0.6230 0.6367 0.2532 0.2553  0.0286  -0.0174 126 VAL   B CG2 
1752 C CG2 E VAL   B 117 ? 0.6230 0.6367 0.2532 0.2553  0.0286  -0.0174 126 VAL   B CG2 
1753 N N   A ALA   B 118 ? 0.6186 0.6958 0.2600 0.2845  0.0575  0.0173  127 ALA   B N   
1754 N N   B ALA   B 118 ? 0.6204 0.6968 0.2610 0.2847  0.0570  0.0168  127 ALA   B N   
1755 N N   C ALA   B 118 ? 0.6236 0.6985 0.2626 0.2853  0.0561  0.0159  127 ALA   B N   
1756 N N   D ALA   B 118 ? 0.6236 0.6985 0.2626 0.2853  0.0561  0.0159  127 ALA   B N   
1757 N N   E ALA   B 118 ? 0.6236 0.6985 0.2626 0.2853  0.0561  0.0159  127 ALA   B N   
1758 C CA  A ALA   B 118 ? 0.6181 0.7182 0.2692 0.2895  0.0682  0.0299  127 ALA   B CA  
1759 C CA  B ALA   B 118 ? 0.6188 0.7182 0.2697 0.2893  0.0679  0.0295  127 ALA   B CA  
1760 C CA  C ALA   B 118 ? 0.6228 0.7212 0.2722 0.2914  0.0678  0.0294  127 ALA   B CA  
1761 C CA  D ALA   B 118 ? 0.6228 0.7212 0.2722 0.2914  0.0678  0.0294  127 ALA   B CA  
1762 C CA  E ALA   B 118 ? 0.6228 0.7212 0.2722 0.2914  0.0678  0.0294  127 ALA   B CA  
1763 C C   A ALA   B 118 ? 0.6182 0.7313 0.2790 0.2933  0.0775  0.0398  127 ALA   B C   
1764 C C   B ALA   B 118 ? 0.6185 0.7311 0.2792 0.2931  0.0773  0.0395  127 ALA   B C   
1765 C C   C ALA   B 118 ? 0.6282 0.7340 0.2798 0.2991  0.0733  0.0355  127 ALA   B C   
1766 C C   D ALA   B 118 ? 0.6282 0.7340 0.2798 0.2991  0.0733  0.0355  127 ALA   B C   
1767 C C   E ALA   B 118 ? 0.6282 0.7340 0.2798 0.2991  0.0733  0.0355  127 ALA   B C   
1768 O O   A ALA   B 118 ? 0.6284 0.7533 0.2794 0.3115  0.0803  0.0457  127 ALA   B O   
1769 O O   B ALA   B 118 ? 0.6285 0.7532 0.2795 0.3113  0.0802  0.0455  127 ALA   B O   
1770 O O   C ALA   B 118 ? 0.6404 0.7520 0.2766 0.3186  0.0723  0.0372  127 ALA   B O   
1771 O O   D ALA   B 118 ? 0.6404 0.7520 0.2766 0.3186  0.0722  0.0372  127 ALA   B O   
1772 O O   E ALA   B 118 ? 0.6404 0.7520 0.2766 0.3186  0.0723  0.0372  127 ALA   B O   
1773 C CB  A ALA   B 118 ? 0.6320 0.7390 0.2656 0.3084  0.0653  0.0304  127 ALA   B CB  
1774 C CB  B ALA   B 118 ? 0.6322 0.7389 0.2660 0.3079  0.0652  0.0303  127 ALA   B CB  
1775 C CB  C ALA   B 118 ? 0.6340 0.7425 0.2699 0.3081  0.0669  0.0319  127 ALA   B CB  
1776 C CB  D ALA   B 118 ? 0.6340 0.7425 0.2699 0.3081  0.0669  0.0319  127 ALA   B CB  
1777 C CB  E ALA   B 118 ? 0.6340 0.7425 0.2699 0.3081  0.0669  0.0319  127 ALA   B CB  
1778 N N   A LEU   B 119 ? 0.6093 0.7200 0.2880 0.2772  0.0822  0.0417  128 LEU   B N   
1779 N N   B LEU   B 119 ? 0.6094 0.7199 0.2880 0.2771  0.0820  0.0415  128 LEU   B N   
1780 N N   C LEU   B 119 ? 0.6199 0.7247 0.2886 0.2849  0.0786  0.0383  128 LEU   B N   
1781 N N   D LEU   B 119 ? 0.6199 0.7247 0.2886 0.2849  0.0786  0.0383  128 LEU   B N   
1782 N N   E LEU   B 119 ? 0.6199 0.7247 0.2886 0.2849  0.0786  0.0383  128 LEU   B N   
1783 C CA  A LEU   B 119 ? 0.6101 0.7290 0.2982 0.2789  0.0904  0.0502  128 LEU   B CA  
1784 C CA  B LEU   B 119 ? 0.6102 0.7290 0.2982 0.2788  0.0903  0.0502  128 LEU   B CA  
1785 C CA  C LEU   B 119 ? 0.6228 0.7354 0.2970 0.2899  0.0856  0.0459  128 LEU   B CA  
1786 C CA  D LEU   B 119 ? 0.6228 0.7354 0.2970 0.2899  0.0856  0.0459  128 LEU   B CA  
1787 C CA  E LEU   B 119 ? 0.6228 0.7354 0.2970 0.2899  0.0856  0.0459  128 LEU   B CA  
1788 C C   A LEU   B 119 ? 0.5995 0.7250 0.3127 0.2614  0.0993  0.0577  128 LEU   B C   
1789 C C   B LEU   B 119 ? 0.5996 0.7250 0.3127 0.2613  0.0993  0.0576  128 LEU   B C   
1790 C C   C LEU   B 119 ? 0.6125 0.7347 0.3112 0.2751  0.0965  0.0559  128 LEU   B C   
1791 C C   D LEU   B 119 ? 0.6125 0.7347 0.3112 0.2751  0.0965  0.0559  128 LEU   B C   
1792 C C   E LEU   B 119 ? 0.6125 0.7347 0.3112 0.2751  0.0965  0.0559  128 LEU   B C   
1793 O O   A LEU   B 119 ? 0.5962 0.7114 0.3180 0.2447  0.0961  0.0510  128 LEU   B O   
1794 O O   B LEU   B 119 ? 0.5965 0.7116 0.3183 0.2447  0.0960  0.0510  128 LEU   B O   
1795 O O   C LEU   B 119 ? 0.6040 0.7168 0.3145 0.2572  0.0950  0.0509  128 LEU   B O   
1796 O O   D LEU   B 119 ? 0.6040 0.7168 0.3145 0.2572  0.0950  0.0509  128 LEU   B O   
1797 O O   E LEU   B 119 ? 0.6040 0.7168 0.3145 0.2572  0.0950  0.0509  128 LEU   B O   
1798 C CB  A LEU   B 119 ? 0.6133 0.7166 0.2929 0.2794  0.0836  0.0414  128 LEU   B CB  
1799 C CB  B LEU   B 119 ? 0.6133 0.7166 0.2929 0.2794  0.0836  0.0414  128 LEU   B CB  
1800 C CB  C LEU   B 119 ? 0.6259 0.7222 0.2931 0.2882  0.0782  0.0361  128 LEU   B CB  
1801 C CB  D LEU   B 119 ? 0.6259 0.7222 0.2931 0.2882  0.0782  0.0361  128 LEU   B CB  
1802 C CB  E LEU   B 119 ? 0.6259 0.7222 0.2931 0.2882  0.0782  0.0361  128 LEU   B CB  
1803 C CG  A LEU   B 119 ? 0.6290 0.7241 0.2845 0.2961  0.0734  0.0328  128 LEU   B CG  
1804 C CG  B LEU   B 119 ? 0.6290 0.7241 0.2845 0.2961  0.0734  0.0328  128 LEU   B CG  
1805 C CG  C LEU   B 119 ? 0.6407 0.7257 0.2846 0.3019  0.0663  0.0253  128 LEU   B CG  
1806 C CG  D LEU   B 119 ? 0.6407 0.7257 0.2846 0.3019  0.0663  0.0253  128 LEU   B CG  
1807 C CG  E LEU   B 119 ? 0.6407 0.7257 0.2846 0.3019  0.0663  0.0253  128 LEU   B CG  
1808 C CD1 A LEU   B 119 ? 0.6303 0.7091 0.2807 0.2924  0.0655  0.0225  128 LEU   B CD1 
1809 C CD1 B LEU   B 119 ? 0.6302 0.7091 0.2806 0.2924  0.0656  0.0225  128 LEU   B CD1 
1810 C CD1 C LEU   B 119 ? 0.6391 0.7079 0.2806 0.2953  0.0584  0.0147  128 LEU   B CD1 
1811 C CD1 D LEU   B 119 ? 0.6391 0.7079 0.2806 0.2953  0.0584  0.0147  128 LEU   B CD1 
1812 C CD1 E LEU   B 119 ? 0.6391 0.7079 0.2806 0.2953  0.0584  0.0147  128 LEU   B CD1 
1813 C CD2 A LEU   B 119 ? 0.6412 0.7518 0.2863 0.3178  0.0781  0.0413  128 LEU   B CD2 
1814 C CD2 B LEU   B 119 ? 0.6412 0.7518 0.2863 0.3178  0.0781  0.0413  128 LEU   B CD2 
1815 C CD2 C LEU   B 119 ? 0.6556 0.7529 0.2851 0.3254  0.0683  0.0309  128 LEU   B CD2 
1816 C CD2 D LEU   B 119 ? 0.6556 0.7528 0.2851 0.3254  0.0683  0.0309  128 LEU   B CD2 
1817 C CD2 E LEU   B 119 ? 0.6556 0.7529 0.2851 0.3254  0.0683  0.0309  128 LEU   B CD2 
1818 N N   A ASP   B 120 ? 0.6039 0.7457 0.3279 0.2654  0.1100  0.0710  129 ASP   B N   
1819 N N   B ASP   B 120 ? 0.6041 0.7459 0.3280 0.2654  0.1099  0.0709  129 ASP   B N   
1820 N N   C ASP   B 120 ? 0.6166 0.7569 0.3227 0.2825  0.1069  0.0695  129 ASP   B N   
1821 N N   D ASP   B 120 ? 0.6166 0.7569 0.3227 0.2825  0.1069  0.0695  129 ASP   B N   
1822 N N   E ASP   B 120 ? 0.6166 0.7569 0.3227 0.2825  0.1069  0.0695  129 ASP   B N   
1823 C CA  A ASP   B 120 ? 0.5918 0.7402 0.3403 0.2504  0.1191  0.0796  129 ASP   B CA  
1824 C CA  B ASP   B 120 ? 0.5919 0.7403 0.3403 0.2504  0.1191  0.0796  129 ASP   B CA  
1825 C CA  C ASP   B 120 ? 0.6074 0.7587 0.3377 0.2692  0.1173  0.0803  129 ASP   B CA  
1826 C CA  D ASP   B 120 ? 0.6074 0.7587 0.3377 0.2692  0.1173  0.0803  129 ASP   B CA  
1827 C CA  E ASP   B 120 ? 0.6074 0.7587 0.3377 0.2692  0.1173  0.0803  129 ASP   B CA  
1828 C C   A ASP   B 120 ? 0.5891 0.7289 0.3426 0.2461  0.1211  0.0799  129 ASP   B C   
1829 C C   B ASP   B 120 ? 0.5891 0.7289 0.3427 0.2461  0.1210  0.0798  129 ASP   B C   
1830 C C   C ASP   B 120 ? 0.6015 0.7459 0.3431 0.2603  0.1210  0.0822  129 ASP   B C   
1831 C C   D ASP   B 120 ? 0.6015 0.7459 0.3431 0.2603  0.1210  0.0822  129 ASP   B C   
1832 C C   E ASP   B 120 ? 0.6015 0.7459 0.3431 0.2603  0.1210  0.0822  129 ASP   B C   
1833 O O   A ASP   B 120 ? 0.6022 0.7440 0.3451 0.2601  0.1222  0.0830  129 ASP   B O   
1834 O O   B ASP   B 120 ? 0.6023 0.7441 0.3452 0.2601  0.1222  0.0829  129 ASP   B O   
1835 O O   C ASP   B 120 ? 0.6084 0.7622 0.3532 0.2682  0.1289  0.0930  129 ASP   B O   
1836 O O   D ASP   B 120 ? 0.6084 0.7622 0.3532 0.2682  0.1289  0.0930  129 ASP   B O   
1837 O O   E ASP   B 120 ? 0.6084 0.7622 0.3532 0.2682  0.1289  0.0930  129 ASP   B O   
1838 C CB  A ASP   B 120 ? 0.5952 0.7661 0.3535 0.2570  0.1299  0.0952  129 ASP   B CB  
1839 C CB  B ASP   B 120 ? 0.5954 0.7662 0.3536 0.2571  0.1299  0.0951  129 ASP   B CB  
1840 C CB  C ASP   B 120 ? 0.6153 0.7894 0.3494 0.2803  0.1267  0.0946  129 ASP   B CB  
1841 C CB  D ASP   B 120 ? 0.6153 0.7894 0.3494 0.2802  0.1267  0.0946  129 ASP   B CB  
1842 C CB  E ASP   B 120 ? 0.6153 0.7894 0.3494 0.2803  0.1267  0.0946  129 ASP   B CB  
1843 C CG  A ASP   B 120 ? 0.5884 0.7706 0.3595 0.2486  0.1324  0.0983  129 ASP   B CG  
1844 C CG  B ASP   B 120 ? 0.5885 0.7707 0.3596 0.2486  0.1324  0.0983  129 ASP   B CG  
1845 C CG  C ASP   B 120 ? 0.6194 0.8013 0.3470 0.2852  0.1235  0.0927  129 ASP   B CG  
1846 C CG  D ASP   B 120 ? 0.6194 0.8013 0.3469 0.2852  0.1235  0.0927  129 ASP   B CG  
1847 C CG  E ASP   B 120 ? 0.6194 0.8013 0.3470 0.2852  0.1235  0.0927  129 ASP   B CG  
1848 O OD1 A ASP   B 120 ? 0.5764 0.7485 0.3526 0.2346  0.1270  0.0893  129 ASP   B OD1 
1849 O OD1 B ASP   B 120 ? 0.5763 0.7485 0.3525 0.2346  0.1270  0.0893  129 ASP   B OD1 
1850 O OD1 C ASP   B 120 ? 0.6177 0.7890 0.3466 0.2736  0.1170  0.0832  129 ASP   B OD1 
1851 O OD1 D ASP   B 120 ? 0.6176 0.7891 0.3467 0.2735  0.1171  0.0833  129 ASP   B OD1 
1852 O OD1 E ASP   B 120 ? 0.6177 0.7890 0.3466 0.2736  0.1170  0.0832  129 ASP   B OD1 
1853 O OD2 A ASP   B 120 ? 0.5920 0.7943 0.3682 0.2564  0.1399  0.1101  129 ASP   B OD2 
1854 O OD2 B ASP   B 120 ? 0.5921 0.7943 0.3684 0.2563  0.1399  0.1101  129 ASP   B OD2 
1855 O OD2 C ASP   B 120 ? 0.6346 0.8331 0.3549 0.3013  0.1276  0.1006  129 ASP   B OD2 
1856 O OD2 D ASP   B 120 ? 0.6346 0.8332 0.3549 0.3013  0.1275  0.1006  129 ASP   B OD2 
1857 O OD2 E ASP   B 120 ? 0.6346 0.8331 0.3549 0.3013  0.1276  0.1006  129 ASP   B OD2 
1858 N N   A TYR   B 121 ? 0.5740 0.7050 0.3428 0.2281  0.1213  0.0766  130 TYR   B N   
1859 N N   B TYR   B 121 ? 0.5739 0.7049 0.3427 0.2281  0.1213  0.0766  130 TYR   B N   
1860 N N   C TYR   B 121 ? 0.5908 0.7196 0.3378 0.2450  0.1156  0.0722  130 TYR   B N   
1861 N N   D TYR   B 121 ? 0.5908 0.7197 0.3378 0.2450  0.1156  0.0722  130 TYR   B N   
1862 N N   E TYR   B 121 ? 0.5908 0.7196 0.3378 0.2450  0.1156  0.0722  130 TYR   B N   
1863 C CA  A TYR   B 121 ? 0.5702 0.6954 0.3487 0.2220  0.1252  0.0790  130 TYR   B CA  
1864 C CA  B TYR   B 121 ? 0.5702 0.6954 0.3487 0.2220  0.1252  0.0790  130 TYR   B CA  
1865 C CA  C TYR   B 121 ? 0.5812 0.7028 0.3411 0.2336  0.1187  0.0728  130 TYR   B CA  
1866 C CA  D TYR   B 121 ? 0.5812 0.7028 0.3412 0.2336  0.1187  0.0728  130 TYR   B CA  
1867 C CA  E TYR   B 121 ? 0.5812 0.7028 0.3411 0.2336  0.1187  0.0728  130 TYR   B CA  
1868 C C   A TYR   B 121 ? 0.5518 0.6753 0.3522 0.2028  0.1287  0.0803  130 TYR   B C   
1869 C C   B TYR   B 121 ? 0.5518 0.6753 0.3522 0.2028  0.1287  0.0803  130 TYR   B C   
1870 C C   C TYR   B 121 ? 0.5640 0.6865 0.3454 0.2149  0.1227  0.0749  130 TYR   B C   
1871 C C   D TYR   B 121 ? 0.5640 0.6865 0.3454 0.2149  0.1227  0.0749  130 TYR   B C   
1872 C C   E TYR   B 121 ? 0.5640 0.6865 0.3454 0.2149  0.1227  0.0749  130 TYR   B C   
1873 O O   A TYR   B 121 ? 0.5415 0.6648 0.3468 0.1936  0.1258  0.0757  130 TYR   B O   
1874 O O   B TYR   B 121 ? 0.5414 0.6647 0.3466 0.1935  0.1258  0.0757  130 TYR   B O   
1875 O O   C TYR   B 121 ? 0.5603 0.6826 0.3437 0.2078  0.1192  0.0703  130 TYR   B O   
1876 O O   D TYR   B 121 ? 0.5603 0.6826 0.3437 0.2078  0.1192  0.0703  130 TYR   B O   
1877 O O   E TYR   B 121 ? 0.5603 0.6826 0.3437 0.2078  0.1192  0.0703  130 TYR   B O   
1878 C CB  A TYR   B 121 ? 0.5774 0.6872 0.3430 0.2236  0.1168  0.0673  130 TYR   B CB  
1879 C CB  B TYR   B 121 ? 0.5775 0.6872 0.3431 0.2236  0.1168  0.0673  130 TYR   B CB  
1880 C CB  C TYR   B 121 ? 0.5844 0.6889 0.3344 0.2309  0.1094  0.0596  130 TYR   B CB  
1881 C CB  D TYR   B 121 ? 0.5844 0.6889 0.3344 0.2309  0.1094  0.0596  130 TYR   B CB  
1882 C CB  E TYR   B 121 ? 0.5844 0.6889 0.3344 0.2309  0.1094  0.0596  130 TYR   B CB  
1883 C CG  A TYR   B 121 ? 0.5950 0.7066 0.3410 0.2431  0.1141  0.0671  130 TYR   B CG  
1884 C CG  B TYR   B 121 ? 0.5951 0.7066 0.3411 0.2431  0.1141  0.0670  130 TYR   B CG  
1885 C CG  C TYR   B 121 ? 0.5984 0.7017 0.3319 0.2475  0.1066  0.0583  130 TYR   B CG  
1886 C CG  D TYR   B 121 ? 0.5984 0.7017 0.3319 0.2475  0.1066  0.0583  130 TYR   B CG  
1887 C CG  E TYR   B 121 ? 0.5984 0.7017 0.3319 0.2475  0.1066  0.0583  130 TYR   B CG  
1888 C CD1 A TYR   B 121 ? 0.6035 0.7210 0.3487 0.2535  0.1203  0.0757  130 TYR   B CD1 
1889 C CD1 B TYR   B 121 ? 0.6036 0.7211 0.3488 0.2535  0.1203  0.0757  130 TYR   B CD1 
1890 C CD1 C TYR   B 121 ? 0.6020 0.7089 0.3392 0.2526  0.1129  0.0657  130 TYR   B CD1 
1891 C CD1 D TYR   B 121 ? 0.6020 0.7089 0.3392 0.2526  0.1129  0.0657  130 TYR   B CD1 
1892 C CD1 E TYR   B 121 ? 0.6020 0.7089 0.3392 0.2526  0.1129  0.0657  130 TYR   B CD1 
1893 C CD2 A TYR   B 121 ? 0.6048 0.7120 0.3326 0.2520  0.1051  0.0583  130 TYR   B CD2 
1894 C CD2 B TYR   B 121 ? 0.6050 0.7121 0.3327 0.2520  0.1051  0.0583  130 TYR   B CD2 
1895 C CD2 C TYR   B 121 ? 0.6092 0.7074 0.3229 0.2588  0.0975  0.0498  130 TYR   B CD2 
1896 C CD2 D TYR   B 121 ? 0.6092 0.7074 0.3229 0.2588  0.0975  0.0498  130 TYR   B CD2 
1897 C CD2 E TYR   B 121 ? 0.6092 0.7074 0.3229 0.2588  0.0975  0.0498  130 TYR   B CD2 
1898 C CE1 A TYR   B 121 ? 0.6195 0.7397 0.3461 0.2726  0.1176  0.0752  130 TYR   B CE1 
1899 C CE1 B TYR   B 121 ? 0.6197 0.7398 0.3463 0.2726  0.1176  0.0752  130 TYR   B CE1 
1900 C CE1 C TYR   B 121 ? 0.6154 0.7222 0.3371 0.2688  0.1102  0.0642  130 TYR   B CE1 
1901 C CE1 D TYR   B 121 ? 0.6155 0.7222 0.3371 0.2688  0.1102  0.0642  130 TYR   B CE1 
1902 C CE1 E TYR   B 121 ? 0.6154 0.7222 0.3371 0.2688  0.1102  0.0642  130 TYR   B CE1 
1903 C CE2 A TYR   B 121 ? 0.6188 0.7275 0.3282 0.2708  0.1018  0.0572  130 TYR   B CE2 
1904 C CE2 B TYR   B 121 ? 0.6189 0.7275 0.3283 0.2708  0.1018  0.0572  130 TYR   B CE2 
1905 C CE2 C TYR   B 121 ? 0.6213 0.7188 0.3198 0.2747  0.0941  0.0478  130 TYR   B CE2 
1906 C CE2 D TYR   B 121 ? 0.6214 0.7188 0.3198 0.2747  0.0941  0.0478  130 TYR   B CE2 
1907 C CE2 E TYR   B 121 ? 0.6213 0.7188 0.3198 0.2747  0.0941  0.0478  130 TYR   B CE2 
1908 C CZ  A TYR   B 121 ? 0.6262 0.7419 0.3349 0.2813  0.1080  0.0654  130 TYR   B CZ  
1909 C CZ  B TYR   B 121 ? 0.6263 0.7421 0.3350 0.2813  0.1080  0.0654  130 TYR   B CZ  
1910 C CZ  C TYR   B 121 ? 0.6246 0.7271 0.3270 0.2799  0.1006  0.0550  130 TYR   B CZ  
1911 C CZ  D TYR   B 121 ? 0.6246 0.7271 0.3270 0.2799  0.1006  0.0550  130 TYR   B CZ  
1912 C CZ  E TYR   B 121 ? 0.6246 0.7271 0.3270 0.2799  0.1006  0.0550  130 TYR   B CZ  
1913 O OH  A TYR   B 121 ? 0.6418 0.7595 0.3317 0.3007  0.1043  0.0638  130 TYR   B OH  
1914 O OH  B TYR   B 121 ? 0.6419 0.7597 0.3318 0.3007  0.1043  0.0638  130 TYR   B OH  
1915 O OH  C TYR   B 121 ? 0.6384 0.7409 0.3254 0.2963  0.0972  0.0527  130 TYR   B OH  
1916 O OH  D TYR   B 121 ? 0.6384 0.7409 0.3254 0.2963  0.0972  0.0527  130 TYR   B OH  
1917 O OH  E TYR   B 121 ? 0.6384 0.7409 0.3254 0.2963  0.0972  0.0527  130 TYR   B OH  
1918 N N   A PRO   B 122 ? 0.5432 0.6652 0.3569 0.1970  0.1349  0.0864  131 PRO   B N   
1919 N N   B PRO   B 122 ? 0.5432 0.6652 0.3568 0.1970  0.1349  0.0864  131 PRO   B N   
1920 N N   C PRO   B 122 ? 0.5521 0.6745 0.3494 0.2068  0.1294  0.0813  131 PRO   B N   
1921 N N   D PRO   B 122 ? 0.5521 0.6745 0.3494 0.2068  0.1294  0.0813  131 PRO   B N   
1922 N N   E PRO   B 122 ? 0.5521 0.6745 0.3494 0.2068  0.1294  0.0813  131 PRO   B N   
1923 C CA  A PRO   B 122 ? 0.5297 0.6476 0.3633 0.1790  0.1370  0.0860  131 PRO   B CA  
1924 C CA  B PRO   B 122 ? 0.5296 0.6476 0.3632 0.1790  0.1370  0.0860  131 PRO   B CA  
1925 C CA  C PRO   B 122 ? 0.5369 0.6594 0.3550 0.1894  0.1326  0.0828  131 PRO   B CA  
1926 C CA  D PRO   B 122 ? 0.5369 0.6594 0.3550 0.1894  0.1326  0.0828  131 PRO   B CA  
1927 C CA  E PRO   B 122 ? 0.5369 0.6594 0.3550 0.1894  0.1326  0.0828  131 PRO   B CA  
1928 C C   A PRO   B 122 ? 0.5151 0.6201 0.3463 0.1676  0.1281  0.0714  131 PRO   B C   
1929 C C   B PRO   B 122 ? 0.5150 0.6200 0.3463 0.1676  0.1281  0.0714  131 PRO   B C   
1930 C C   C PRO   B 122 ? 0.5226 0.6309 0.3410 0.1760  0.1245  0.0691  131 PRO   B C   
1931 C C   D PRO   B 122 ? 0.5226 0.6309 0.3410 0.1760  0.1245  0.0691  131 PRO   B C   
1932 C C   E PRO   B 122 ? 0.5226 0.6309 0.3410 0.1760  0.1245  0.0691  131 PRO   B C   
1933 O O   A PRO   B 122 ? 0.5133 0.6096 0.3294 0.1723  0.1211  0.0624  131 PRO   B O   
1934 O O   B PRO   B 122 ? 0.5132 0.6094 0.3292 0.1723  0.1211  0.0623  131 PRO   B O   
1935 O O   C PRO   B 122 ? 0.5213 0.6189 0.3265 0.1790  0.1177  0.0599  131 PRO   B O   
1936 O O   D PRO   B 122 ? 0.5213 0.6189 0.3265 0.1790  0.1177  0.0599  131 PRO   B O   
1937 O O   E PRO   B 122 ? 0.5213 0.6189 0.3265 0.1790  0.1177  0.0599  131 PRO   B O   
1938 C CB  A PRO   B 122 ? 0.5352 0.6490 0.3766 0.1783  0.1428  0.0924  131 PRO   B CB  
1939 C CB  B PRO   B 122 ? 0.5352 0.6491 0.3766 0.1783  0.1428  0.0924  131 PRO   B CB  
1940 C CB  C PRO   B 122 ? 0.5404 0.6631 0.3713 0.1869  0.1405  0.0921  131 PRO   B CB  
1941 C CB  D PRO   B 122 ? 0.5404 0.6631 0.3713 0.1869  0.1405  0.0921  131 PRO   B CB  
1942 C CB  E PRO   B 122 ? 0.5404 0.6631 0.3713 0.1869  0.1405  0.0921  131 PRO   B CB  
1943 C CG  A PRO   B 122 ? 0.5475 0.6708 0.3781 0.1964  0.1477  0.1023  131 PRO   B CG  
1944 C CG  B PRO   B 122 ? 0.5475 0.6708 0.3782 0.1964  0.1477  0.1023  131 PRO   B CG  
1945 C CG  C PRO   B 122 ? 0.5492 0.6655 0.3643 0.1992  0.1383  0.0897  131 PRO   B CG  
1946 C CG  D PRO   B 122 ? 0.5492 0.6655 0.3643 0.1992  0.1383  0.0897  131 PRO   B CG  
1947 C CG  E PRO   B 122 ? 0.5492 0.6655 0.3643 0.1992  0.1383  0.0897  131 PRO   B CG  
1948 C CD  A PRO   B 122 ? 0.5514 0.6753 0.3612 0.2081  0.1401  0.0943  131 PRO   B CD  
1949 C CD  B PRO   B 122 ? 0.5514 0.6753 0.3612 0.2081  0.1401  0.0943  131 PRO   B CD  
1950 C CD  C PRO   B 122 ? 0.5577 0.6793 0.3532 0.2146  0.1337  0.0871  131 PRO   B CD  
1951 C CD  D PRO   B 122 ? 0.5577 0.6793 0.3532 0.2146  0.1337  0.0871  131 PRO   B CD  
1952 C CD  E PRO   B 122 ? 0.5577 0.6793 0.3532 0.2146  0.1337  0.0871  131 PRO   B CD  
1953 N N   A ALA   B 123 ? 0.5012 0.6058 0.3477 0.1530  0.1284  0.0696  132 ALA   B N   
1954 N N   B ALA   B 123 ? 0.5012 0.6058 0.3476 0.1530  0.1284  0.0696  132 ALA   B N   
1955 N N   C ALA   B 123 ? 0.5082 0.6174 0.3418 0.1619  0.1253  0.0681  132 ALA   B N   
1956 N N   D ALA   B 123 ? 0.5082 0.6174 0.3418 0.1619  0.1253  0.0681  132 ALA   B N   
1957 N N   E ALA   B 123 ? 0.5082 0.6174 0.3418 0.1619  0.1253  0.0681  132 ALA   B N   
1958 C CA  A ALA   B 123 ? 0.4897 0.5844 0.3358 0.1415  0.1210  0.0572  132 ALA   B CA  
1959 C CA  B ALA   B 123 ? 0.4897 0.5844 0.3358 0.1415  0.1210  0.0571  132 ALA   B CA  
1960 C CA  C ALA   B 123 ? 0.4968 0.5948 0.3325 0.1487  0.1186  0.0562  132 ALA   B CA  
1961 C CA  D ALA   B 123 ? 0.4968 0.5948 0.3325 0.1487  0.1186  0.0562  132 ALA   B CA  
1962 C CA  E ALA   B 123 ? 0.4968 0.5948 0.3325 0.1487  0.1186  0.0562  132 ALA   B CA  
1963 C C   A ALA   B 123 ? 0.4844 0.5655 0.3275 0.1373  0.1173  0.0493  132 ALA   B C   
1964 C C   B ALA   B 123 ? 0.4844 0.5655 0.3275 0.1373  0.1173  0.0493  132 ALA   B C   
1965 C C   C ALA   B 123 ? 0.4917 0.5768 0.3258 0.1450  0.1161  0.0502  132 ALA   B C   
1966 C C   D ALA   B 123 ? 0.4917 0.5768 0.3258 0.1450  0.1161  0.0502  132 ALA   B C   
1967 C C   E ALA   B 123 ? 0.4917 0.5768 0.3258 0.1450  0.1161  0.0502  132 ALA   B C   
1968 O O   A ALA   B 123 ? 0.4791 0.5516 0.3153 0.1321  0.1101  0.0383  132 ALA   B O   
1969 O O   B ALA   B 123 ? 0.4791 0.5515 0.3153 0.1321  0.1101  0.0383  132 ALA   B O   
1970 O O   C ALA   B 123 ? 0.4869 0.5621 0.3139 0.1401  0.1089  0.0393  132 ALA   B O   
1971 O O   D ALA   B 123 ? 0.4869 0.5621 0.3139 0.1401  0.1089  0.0393  132 ALA   B O   
1972 O O   E ALA   B 123 ? 0.4869 0.5621 0.3139 0.1401  0.1089  0.0393  132 ALA   B O   
1973 C CB  A ALA   B 123 ? 0.4833 0.5825 0.3479 0.1283  0.1233  0.0585  132 ALA   B CB  
1974 C CB  B ALA   B 123 ? 0.4833 0.5825 0.3478 0.1283  0.1233  0.0585  132 ALA   B CB  
1975 C CB  C ALA   B 123 ? 0.4894 0.5920 0.3441 0.1352  0.1214  0.0581  132 ALA   B CB  
1976 C CB  D ALA   B 123 ? 0.4894 0.5920 0.3441 0.1352  0.1214  0.0581  132 ALA   B CB  
1977 C CB  E ALA   B 123 ? 0.4894 0.5920 0.3441 0.1352  0.1214  0.0581  132 ALA   B CB  
1978 N N   A GLY   B 124 ? 0.4826 0.5622 0.3304 0.1400  0.1222  0.0549  133 GLY   B N   
1979 N N   B GLY   B 124 ? 0.4826 0.5621 0.3303 0.1400  0.1222  0.0549  133 GLY   B N   
1980 N N   C GLY   B 124 ? 0.4908 0.5768 0.3312 0.1477  0.1221  0.0575  133 GLY   B N   
1981 N N   D GLY   B 124 ? 0.4908 0.5768 0.3312 0.1476  0.1221  0.0575  133 GLY   B N   
1982 N N   E GLY   B 124 ? 0.4908 0.5768 0.3312 0.1477  0.1221  0.0575  133 GLY   B N   
1983 C CA  A GLY   B 124 ? 0.4784 0.5469 0.3237 0.1375  0.1194  0.0484  133 GLY   B CA  
1984 C CA  B GLY   B 124 ? 0.4783 0.5469 0.3236 0.1375  0.1194  0.0484  133 GLY   B CA  
1985 C CA  C GLY   B 124 ? 0.4893 0.5654 0.3278 0.1473  0.1209  0.0537  133 GLY   B CA  
1986 C CA  D GLY   B 124 ? 0.4893 0.5654 0.3278 0.1472  0.1209  0.0537  133 GLY   B CA  
1987 C CA  E GLY   B 124 ? 0.4893 0.5654 0.3278 0.1473  0.1209  0.0537  133 GLY   B CA  
1988 C C   A GLY   B 124 ? 0.4797 0.5439 0.3054 0.1483  0.1132  0.0418  133 GLY   B C   
1989 C C   B GLY   B 124 ? 0.4796 0.5438 0.3054 0.1482  0.1132  0.0418  133 GLY   B C   
1990 C C   C GLY   B 124 ? 0.4880 0.5561 0.3081 0.1532  0.1125  0.0430  133 GLY   B C   
1991 C C   D GLY   B 124 ? 0.4880 0.5561 0.3081 0.1532  0.1125  0.0430  133 GLY   B C   
1992 C C   E GLY   B 124 ? 0.4880 0.5561 0.3081 0.1532  0.1125  0.0430  133 GLY   B C   
1993 O O   A GLY   B 124 ? 0.4785 0.5336 0.3018 0.1441  0.1087  0.0333  133 GLY   B O   
1994 O O   B GLY   B 124 ? 0.4784 0.5335 0.3017 0.1440  0.1087  0.0333  133 GLY   B O   
1995 O O   C GLY   B 124 ? 0.4865 0.5458 0.3047 0.1489  0.1084  0.0353  133 GLY   B O   
1996 O O   D GLY   B 124 ? 0.4865 0.5458 0.3047 0.1490  0.1084  0.0353  133 GLY   B O   
1997 O O   E GLY   B 124 ? 0.4865 0.5458 0.3047 0.1489  0.1084  0.0353  133 GLY   B O   
1998 N N   A THR   B 125 ? 0.4801 0.5502 0.2938 0.1585  0.1113  0.0432  134 THR   B N   
1999 N N   B THR   B 125 ? 0.4800 0.5501 0.2936 0.1585  0.1113  0.0432  134 THR   B N   
2000 N N   C THR   B 125 ? 0.4908 0.5641 0.2962 0.1660  0.1102  0.0441  134 THR   B N   
2001 N N   D THR   B 125 ? 0.4908 0.5641 0.2962 0.1660  0.1102  0.0441  134 THR   B N   
2002 N N   E THR   B 125 ? 0.4908 0.5641 0.2962 0.1660  0.1102  0.0441  134 THR   B N   
2003 C CA  A THR   B 125 ? 0.4852 0.5514 0.2799 0.1696  0.1045  0.0370  134 THR   B CA  
2004 C CA  B THR   B 125 ? 0.4852 0.5513 0.2798 0.1696  0.1045  0.0369  134 THR   B CA  
2005 C CA  C THR   B 125 ? 0.4954 0.5623 0.2824 0.1750  0.1024  0.0360  134 THR   B CA  
2006 C CA  D THR   B 125 ? 0.4954 0.5623 0.2824 0.1750  0.1024  0.0360  134 THR   B CA  
2007 C CA  E THR   B 125 ? 0.4954 0.5623 0.2824 0.1750  0.1024  0.0360  134 THR   B CA  
2008 C C   A THR   B 125 ? 0.4798 0.5363 0.2686 0.1608  0.0953  0.0243  134 THR   B C   
2009 C C   B THR   B 125 ? 0.4798 0.5362 0.2686 0.1607  0.0953  0.0242  134 THR   B C   
2010 C C   C THR   B 125 ? 0.4893 0.5475 0.2708 0.1663  0.0935  0.0243  134 THR   B C   
2011 C C   D THR   B 125 ? 0.4893 0.5475 0.2708 0.1663  0.0935  0.0243  134 THR   B C   
2012 C C   E THR   B 125 ? 0.4893 0.5475 0.2708 0.1663  0.0935  0.0243  134 THR   B C   
2013 O O   A THR   B 125 ? 0.4839 0.5343 0.2611 0.1645  0.0888  0.0173  134 THR   B O   
2014 O O   B THR   B 125 ? 0.4838 0.5342 0.2611 0.1643  0.0888  0.0172  134 THR   B O   
2015 O O   C THR   B 125 ? 0.4941 0.5445 0.2623 0.1704  0.0858  0.0160  134 THR   B O   
2016 O O   D THR   B 125 ? 0.4941 0.5445 0.2623 0.1704  0.0858  0.0160  134 THR   B O   
2017 O O   E THR   B 125 ? 0.4941 0.5445 0.2623 0.1704  0.0858  0.0160  134 THR   B O   
2018 C CB  A THR   B 125 ? 0.4947 0.5707 0.2793 0.1853  0.1070  0.0445  134 THR   B CB  
2019 C CB  B THR   B 125 ? 0.4946 0.5707 0.2793 0.1853  0.1070  0.0445  134 THR   B CB  
2020 C CB  C THR   B 125 ? 0.5068 0.5817 0.2805 0.1930  0.1034  0.0418  134 THR   B CB  
2021 C CB  D THR   B 125 ? 0.5068 0.5817 0.2805 0.1929  0.1034  0.0418  134 THR   B CB  
2022 C CB  E THR   B 125 ? 0.5068 0.5817 0.2805 0.1930  0.1034  0.0418  134 THR   B CB  
2023 O OG1 A THR   B 125 ? 0.4956 0.5806 0.2915 0.1878  0.1169  0.0571  134 THR   B OG1 
2024 O OG1 B THR   B 125 ? 0.4956 0.5805 0.2914 0.1878  0.1169  0.0571  134 THR   B OG1 
2025 O OG1 C THR   B 125 ? 0.5092 0.5943 0.2927 0.1970  0.1134  0.0548  134 THR   B OG1 
2026 O OG1 D THR   B 125 ? 0.5092 0.5943 0.2927 0.1970  0.1134  0.0548  134 THR   B OG1 
2027 O OG1 E THR   B 125 ? 0.5092 0.5943 0.2927 0.1970  0.1134  0.0548  134 THR   B OG1 
2028 C CG2 A THR   B 125 ? 0.5048 0.5780 0.2708 0.1998  0.1015  0.0402  134 THR   B CG2 
2029 C CG2 B THR   B 125 ? 0.5048 0.5780 0.2708 0.1997  0.1015  0.0401  134 THR   B CG2 
2030 C CG2 C THR   B 125 ? 0.5157 0.5853 0.2731 0.2046  0.0975  0.0359  134 THR   B CG2 
2031 C CG2 D THR   B 125 ? 0.5157 0.5853 0.2731 0.2046  0.0975  0.0359  134 THR   B CG2 
2032 C CG2 E THR   B 125 ? 0.5157 0.5853 0.2731 0.2046  0.0975  0.0359  134 THR   B CG2 
2033 N N   A SER   B 126 ? 0.4702 0.5278 0.2688 0.1494  0.0960  0.0237  135 SER   B N   
2034 N N   B SER   B 126 ? 0.4702 0.5277 0.2688 0.1494  0.0960  0.0237  135 SER   B N   
2035 N N   C SER   B 126 ? 0.4779 0.5369 0.2717 0.1535  0.0952  0.0242  135 SER   B N   
2036 N N   D SER   B 126 ? 0.4779 0.5369 0.2717 0.1535  0.0952  0.0242  135 SER   B N   
2037 N N   E SER   B 126 ? 0.4779 0.5369 0.2717 0.1535  0.0952  0.0242  135 SER   B N   
2038 C CA  A SER   B 126 ? 0.4655 0.5157 0.2597 0.1410  0.0888  0.0141  135 SER   B CA  
2039 C CA  B SER   B 126 ? 0.4654 0.5157 0.2597 0.1410  0.0888  0.0141  135 SER   B CA  
2040 C CA  C SER   B 126 ? 0.4721 0.5238 0.2638 0.1435  0.0886  0.0149  135 SER   B CA  
2041 C CA  D SER   B 126 ? 0.4721 0.5238 0.2638 0.1435  0.0886  0.0149  135 SER   B CA  
2042 C CA  E SER   B 126 ? 0.4721 0.5238 0.2638 0.1435  0.0886  0.0149  135 SER   B CA  
2043 C C   A SER   B 126 ? 0.4647 0.5043 0.2530 0.1370  0.0822  0.0043  135 SER   B C   
2044 C C   B SER   B 126 ? 0.4646 0.5042 0.2529 0.1369  0.0822  0.0043  135 SER   B C   
2045 C C   C SER   B 126 ? 0.4683 0.5096 0.2584 0.1365  0.0834  0.0058  135 SER   B C   
2046 C C   D SER   B 126 ? 0.4683 0.5096 0.2585 0.1365  0.0834  0.0058  135 SER   B C   
2047 C C   E SER   B 126 ? 0.4683 0.5096 0.2584 0.1365  0.0834  0.0058  135 SER   B C   
2048 O O   A SER   B 126 ? 0.4592 0.4966 0.2551 0.1318  0.0839  0.0031  135 SER   B O   
2049 O O   B SER   B 126 ? 0.4591 0.4966 0.2550 0.1318  0.0839  0.0031  135 SER   B O   
2050 O O   C SER   B 126 ? 0.4618 0.5017 0.2643 0.1275  0.0864  0.0053  135 SER   B O   
2051 O O   D SER   B 126 ? 0.4618 0.5017 0.2643 0.1275  0.0864  0.0053  135 SER   B O   
2052 O O   E SER   B 126 ? 0.4618 0.5017 0.2643 0.1275  0.0864  0.0053  135 SER   B O   
2053 C CB  A SER   B 126 ? 0.4563 0.5082 0.2648 0.1277  0.0911  0.0139  135 SER   B CB  
2054 C CB  B SER   B 126 ? 0.4562 0.5082 0.2648 0.1277  0.0911  0.0139  135 SER   B CB  
2055 C CB  C SER   B 126 ? 0.4633 0.5190 0.2695 0.1320  0.0919  0.0167  135 SER   B CB  
2056 C CB  D SER   B 126 ? 0.4633 0.5190 0.2695 0.1320  0.0919  0.0167  135 SER   B CB  
2057 C CB  E SER   B 126 ? 0.4633 0.5190 0.2695 0.1320  0.0919  0.0167  135 SER   B CB  
2058 O OG  A SER   B 126 ? 0.4547 0.5166 0.2680 0.1299  0.0950  0.0207  135 SER   B OG  
2059 O OG  B SER   B 126 ? 0.4546 0.5165 0.2679 0.1298  0.0950  0.0207  135 SER   B OG  
2060 O OG  C SER   B 126 ? 0.4654 0.5298 0.2703 0.1366  0.0934  0.0214  135 SER   B OG  
2061 O OG  D SER   B 126 ? 0.4654 0.5297 0.2703 0.1366  0.0934  0.0214  135 SER   B OG  
2062 O OG  E SER   B 126 ? 0.4654 0.5298 0.2703 0.1366  0.0934  0.0214  135 SER   B OG  
2063 N N   A GLY   B 127 ? 0.4688 0.5019 0.2438 0.1387  0.0745  -0.0024 136 GLY   B N   
2064 N N   B GLY   B 127 ? 0.4688 0.5018 0.2438 0.1388  0.0745  -0.0024 136 GLY   B N   
2065 N N   C GLY   B 127 ? 0.4722 0.5061 0.2482 0.1392  0.0752  -0.0017 136 GLY   B N   
2066 N N   D GLY   B 127 ? 0.4722 0.5061 0.2482 0.1392  0.0752  -0.0017 136 GLY   B N   
2067 N N   E GLY   B 127 ? 0.4722 0.5061 0.2482 0.1392  0.0752  -0.0017 136 GLY   B N   
2068 C CA  A GLY   B 127 ? 0.4719 0.4957 0.2409 0.1351  0.0675  -0.0113 136 GLY   B CA  
2069 C CA  B GLY   B 127 ? 0.4719 0.4957 0.2408 0.1351  0.0675  -0.0113 136 GLY   B CA  
2070 C CA  C GLY   B 127 ? 0.4726 0.4978 0.2448 0.1346  0.0693  -0.0101 136 GLY   B CA  
2071 C CA  D GLY   B 127 ? 0.4726 0.4978 0.2448 0.1346  0.0693  -0.0101 136 GLY   B CA  
2072 C CA  E GLY   B 127 ? 0.4726 0.4978 0.2448 0.1346  0.0693  -0.0101 136 GLY   B CA  
2073 C C   A GLY   B 127 ? 0.4823 0.5045 0.2405 0.1468  0.0642  -0.0129 136 GLY   B C   
2074 C C   B GLY   B 127 ? 0.4823 0.5045 0.2405 0.1468  0.0642  -0.0129 136 GLY   B C   
2075 C C   C GLY   B 127 ? 0.4829 0.5055 0.2421 0.1465  0.0647  -0.0125 136 GLY   B C   
2076 C C   D GLY   B 127 ? 0.4829 0.5055 0.2421 0.1465  0.0647  -0.0125 136 GLY   B C   
2077 C C   E GLY   B 127 ? 0.4829 0.5055 0.2421 0.1465  0.0647  -0.0125 136 GLY   B C   
2078 O O   A GLY   B 127 ? 0.4842 0.4993 0.2379 0.1435  0.0576  -0.0207 136 GLY   B O   
2079 O O   B GLY   B 127 ? 0.4842 0.4993 0.2380 0.1435  0.0576  -0.0207 136 GLY   B O   
2080 O O   C GLY   B 127 ? 0.4848 0.4998 0.2389 0.1428  0.0577  -0.0208 136 GLY   B O   
2081 O O   D GLY   B 127 ? 0.4848 0.4998 0.2389 0.1428  0.0577  -0.0208 136 GLY   B O   
2082 O O   E GLY   B 127 ? 0.4848 0.4998 0.2389 0.1428  0.0577  -0.0208 136 GLY   B O   
2083 N N   . SER   B 128 ? 0.4897 0.5188 0.2439 0.1601  0.0682  -0.0059 137 SER   B N   
2084 C CA  . SER   B 128 ? 0.5042 0.5322 0.2451 0.1737  0.0639  -0.0080 137 SER   B CA  
2085 C C   . SER   B 128 ? 0.5155 0.5328 0.2443 0.1716  0.0533  -0.0176 137 SER   B C   
2086 O O   . SER   B 128 ? 0.5229 0.5379 0.2469 0.1712  0.0513  -0.0178 137 SER   B O   
2087 C CB  . SER   B 128 ? 0.5081 0.5456 0.2446 0.1888  0.0695  0.0010  137 SER   B CB  
2088 O OG  . SER   B 128 ? 0.5007 0.5444 0.2523 0.1841  0.0786  0.0087  137 SER   B OG  
2089 N N   . PRO   B 129 ? 0.5194 0.5305 0.2419 0.1731  0.0462  -0.0250 138 PRO   B N   
2090 C CA  . PRO   B 129 ? 0.5303 0.5311 0.2394 0.1755  0.0356  -0.0333 138 PRO   B CA  
2091 C C   . PRO   B 129 ? 0.5510 0.5512 0.2429 0.1935  0.0315  -0.0330 138 PRO   B C   
2092 O O   . PRO   B 129 ? 0.5509 0.5591 0.2383 0.2074  0.0349  -0.0283 138 PRO   B O   
2093 C CB  . PRO   B 129 ? 0.5342 0.5313 0.2435 0.1732  0.0299  -0.0406 138 PRO   B CB  
2094 C CG  . PRO   B 129 ? 0.5318 0.5388 0.2461 0.1806  0.0366  -0.0353 138 PRO   B CG  
2095 C CD  . PRO   B 129 ? 0.5213 0.5361 0.2465 0.1776  0.0474  -0.0255 138 PRO   B CD  
2096 N N   . ILE   B 130 ? 0.5555 0.5456 0.2379 0.1921  0.0241  -0.0382 139 ILE   B N   
2097 C CA  . ILE   B 130 ? 0.5781 0.5635 0.2422 0.2077  0.0172  -0.0410 139 ILE   B CA  
2098 C C   . ILE   B 130 ? 0.5968 0.5689 0.2529 0.2063  0.0052  -0.0518 139 ILE   B C   
2099 O O   . ILE   B 130 ? 0.6034 0.5670 0.2661 0.1905  0.0016  -0.0567 139 ILE   B O   
2100 C CB  . ILE   B 130 ? 0.5769 0.5597 0.2357 0.2081  0.0172  -0.0389 139 ILE   B CB  
2101 C CG1 . ILE   B 130 ? 0.5672 0.5650 0.2355 0.2094  0.0287  -0.0281 139 ILE   B CG1 
2102 C CG2 . ILE   B 130 ? 0.5983 0.5735 0.2373 0.2233  0.0084  -0.0435 139 ILE   B CG2 
2103 C CD1 . ILE   B 130 ? 0.5635 0.5597 0.2356 0.2004  0.0301  -0.0268 139 ILE   B CD1 
2104 N N   . LEU   B 131 ? 0.6195 0.5917 0.2630 0.2224  -0.0001 -0.0552 140 LEU   B N   
2105 C CA  . LEU   B 131 ? 0.6472 0.6082 0.2836 0.2226  -0.0121 -0.0659 140 LEU   B CA  
2106 C C   . LEU   B 131 ? 0.6758 0.6256 0.2927 0.2356  -0.0225 -0.0718 140 LEU   B C   
2107 O O   . LEU   B 131 ? 0.6973 0.6545 0.3020 0.2552  -0.0201 -0.0675 140 LEU   B O   
2108 C CB  . LEU   B 131 ? 0.6522 0.6222 0.2884 0.2329  -0.0115 -0.0665 140 LEU   B CB  
2109 C CG  . LEU   B 131 ? 0.6405 0.6222 0.2932 0.2251  -0.0015 -0.0606 140 LEU   B CG  
2110 C CD1 . LEU   B 131 ? 0.6508 0.6384 0.3013 0.2349  -0.0036 -0.0635 140 LEU   B CD1 
2111 C CD2 . LEU   B 131 ? 0.6314 0.6086 0.2981 0.2043  -0.0011 -0.0629 140 LEU   B CD2 
2112 N N   . ASP   B 132 ? 0.6986 0.6324 0.3119 0.2282  -0.0351 -0.0826 141 ASP   B N   
2113 C CA  . ASP   B 132 ? 0.7446 0.6656 0.3391 0.2414  -0.0476 -0.0908 141 ASP   B CA  
2114 C C   . ASP   B 132 ? 0.7643 0.6892 0.3541 0.2528  -0.0533 -0.0967 141 ASP   B C   
2115 O O   . ASP   B 132 ? 0.7416 0.6794 0.3445 0.2479  -0.0457 -0.0927 141 ASP   B O   
2116 C CB  . ASP   B 132 ? 0.7632 0.6643 0.3551 0.2292  -0.0580 -0.0982 141 ASP   B CB  
2117 C CG  . ASP   B 132 ? 0.7686 0.6652 0.3730 0.2127  -0.0632 -0.1045 141 ASP   B CG  
2118 O OD1 . ASP   B 132 ? 0.7670 0.6727 0.3761 0.2159  -0.0635 -0.1068 141 ASP   B OD1 
2119 O OD2 . ASP   B 132 ? 0.7888 0.6719 0.3955 0.1990  -0.0680 -0.1072 141 ASP   B OD2 
2120 N N   . LYS   B 133 ? 0.8087 0.7210 0.3824 0.2637  -0.0665 -0.1062 142 LYS   B N   
2121 C CA  . LYS   B 133 ? 0.8514 0.7672 0.4157 0.2799  -0.0734 -0.1125 142 LYS   B CA  
2122 C C   . LYS   B 133 ? 0.8375 0.7541 0.4141 0.2683  -0.0777 -0.1186 142 LYS   B C   
2123 O O   . LYS   B 133 ? 0.8209 0.7451 0.3933 0.2807  -0.0809 -0.1225 142 LYS   B O   
2124 C CB  . LYS   B 133 ? 0.9068 0.8072 0.4505 0.2940  -0.0875 -0.1220 142 LYS   B CB  
2125 C CG  . LYS   B 133 ? 0.9538 0.8601 0.4814 0.3150  -0.0837 -0.1168 142 LYS   B CG  
2126 C CD  . LYS   B 133 ? 0.9990 0.8876 0.5095 0.3219  -0.0937 -0.1224 142 LYS   B CD  
2127 C CE  . LYS   B 133 ? 1.0252 0.9236 0.5200 0.3446  -0.0892 -0.1169 142 LYS   B CE  
2128 N NZ  . LYS   B 133 ? 1.0536 0.9346 0.5277 0.3568  -0.1015 -0.1249 142 LYS   B NZ  
2129 N N   . CYS   B 134 ? 0.8341 0.7441 0.4244 0.2468  -0.0781 -0.1196 143 CYS   B N   
2130 C CA  . CYS   B 134 ? 0.8295 0.7405 0.4335 0.2328  -0.0821 -0.1251 143 CYS   B CA  
2131 C C   . CYS   B 134 ? 0.7770 0.7037 0.3990 0.2217  -0.0684 -0.1165 143 CYS   B C   
2132 O O   . CYS   B 134 ? 0.7718 0.7009 0.4073 0.2077  -0.0700 -0.1198 143 CYS   B O   
2133 C CB  . CYS   B 134 ? 0.8564 0.7501 0.4643 0.2156  -0.0910 -0.1310 143 CYS   B CB  
2134 S SG  . CYS   B 134 ? 0.9193 0.7906 0.5070 0.2262  -0.1088 -0.1423 143 CYS   B SG  
2135 N N   . GLY   B 135 ? 0.7458 0.6833 0.3679 0.2286  -0.0559 -0.1060 144 GLY   B N   
2136 C CA  . GLY   B 135 ? 0.7088 0.6604 0.3465 0.2205  -0.0429 -0.0976 144 GLY   B CA  
2137 C C   . GLY   B 135 ? 0.6810 0.6287 0.3323 0.1993  -0.0392 -0.0954 144 GLY   B C   
2138 O O   . GLY   B 135 ? 0.6662 0.6238 0.3312 0.1908  -0.0313 -0.0913 144 GLY   B O   
2139 N N   . ARG   B 136 ? 0.6809 0.6148 0.3278 0.1920  -0.0445 -0.0977 145 ARG   B N   
2140 C CA  . ARG   B 136 ? 0.6656 0.5964 0.3243 0.1729  -0.0400 -0.0944 145 ARG   B CA  
2141 C C   . ARG   B 136 ? 0.6368 0.5742 0.2973 0.1745  -0.0286 -0.0847 145 ARG   B C   
2142 O O   . ARG   B 136 ? 0.6465 0.5842 0.2942 0.1901  -0.0281 -0.0821 145 ARG   B O   
2143 C CB  . ARG   B 136 ? 0.6976 0.6106 0.3508 0.1647  -0.0506 -0.1007 145 ARG   B CB  
2144 C CG  . ARG   B 136 ? 0.7243 0.6334 0.3836 0.1556  -0.0596 -0.1088 145 ARG   B CG  
2145 C CD  . ARG   B 136 ? 0.7695 0.6590 0.4215 0.1499  -0.0712 -0.1149 145 ARG   B CD  
2146 N NE  . ARG   B 136 ? 0.8151 0.6955 0.4488 0.1675  -0.0788 -0.1190 145 ARG   B NE  
2147 C CZ  . ARG   B 136 ? 0.8475 0.7097 0.4682 0.1701  -0.0871 -0.1223 145 ARG   B CZ  
2148 N NH1 . ARG   B 136 ? 0.8649 0.7148 0.4888 0.1553  -0.0888 -0.1215 145 ARG   B NH1 
2149 N NH2 . ARG   B 136 ? 0.8813 0.7376 0.4849 0.1885  -0.0939 -0.1265 145 ARG   B NH2 
2150 N N   . VAL   B 137 ? 0.5969 0.5404 0.2720 0.1602  -0.0202 -0.0799 146 VAL   B N   
2151 C CA  . VAL   B 137 ? 0.5785 0.5287 0.2576 0.1598  -0.0097 -0.0711 146 VAL   B CA  
2152 C C   . VAL   B 137 ? 0.5826 0.5209 0.2552 0.1548  -0.0133 -0.0717 146 VAL   B C   
2153 O O   . VAL   B 137 ? 0.5815 0.5124 0.2593 0.1403  -0.0163 -0.0746 146 VAL   B O   
2154 C CB  . VAL   B 137 ? 0.5548 0.5158 0.2510 0.1486  0.0000  -0.0663 146 VAL   B CB  
2155 C CG1 . VAL   B 137 ? 0.5429 0.5100 0.2441 0.1472  0.0094  -0.0583 146 VAL   B CG1 
2156 C CG2 . VAL   B 137 ? 0.5546 0.5263 0.2552 0.1557  0.0033  -0.0653 146 VAL   B CG2 
2157 N N   . ILE   B 138 ? 0.5844 0.5212 0.2454 0.1669  -0.0132 -0.0691 147 ILE   B N   
2158 C CA  . ILE   B 138 ? 0.5932 0.5192 0.2463 0.1646  -0.0163 -0.0692 147 ILE   B CA  
2159 C C   . ILE   B 138 ? 0.5771 0.5120 0.2387 0.1591  -0.0061 -0.0614 147 ILE   B C   
2160 O O   . ILE   B 138 ? 0.5916 0.5196 0.2457 0.1597  -0.0079 -0.0608 147 ILE   B O   
2161 C CB  . ILE   B 138 ? 0.6095 0.5282 0.2437 0.1820  -0.0234 -0.0719 147 ILE   B CB  
2162 C CG1 . ILE   B 138 ? 0.6066 0.5404 0.2385 0.1972  -0.0157 -0.0652 147 ILE   B CG1 
2163 C CG2 . ILE   B 138 ? 0.6241 0.5318 0.2504 0.1855  -0.0351 -0.0810 147 ILE   B CG2 
2164 C CD1 . ILE   B 138 ? 0.6283 0.5576 0.2416 0.2150  -0.0210 -0.0665 147 ILE   B CD1 
2165 N N   . GLY   B 139 ? 0.5595 0.5089 0.2352 0.1557  0.0034  -0.0560 148 GLY   B N   
2166 C CA  . GLY   B 139 ? 0.5378 0.4964 0.2248 0.1485  0.0129  -0.0493 148 GLY   B CA  
2167 C C   . GLY   B 139 ? 0.5285 0.5023 0.2250 0.1536  0.0224  -0.0424 148 GLY   B C   
2168 O O   . GLY   B 139 ? 0.5335 0.5118 0.2261 0.1653  0.0221  -0.0422 148 GLY   B O   
2169 N N   . LEU   B 140 ? 0.5090 0.4909 0.2166 0.1470  0.0303  -0.0368 149 LEU   B N   
2170 C CA  . LEU   B 140 ? 0.4960 0.4912 0.2160 0.1479  0.0400  -0.0296 149 LEU   B CA  
2171 C C   . LEU   B 140 ? 0.4994 0.5032 0.2189 0.1552  0.0451  -0.0225 149 LEU   B C   
2172 O O   . LEU   B 140 ? 0.4926 0.4936 0.2078 0.1533  0.0431  -0.0232 149 LEU   B O   
2173 C CB  . LEU   B 140 ? 0.4825 0.4804 0.2185 0.1330  0.0446  -0.0294 149 LEU   B CB  
2174 C CG  . LEU   B 140 ? 0.4774 0.4692 0.2159 0.1243  0.0403  -0.0360 149 LEU   B CG  
2175 C CD1 . LEU   B 140 ? 0.4639 0.4609 0.2182 0.1123  0.0462  -0.0348 149 LEU   B CD1 
2176 C CD2 . LEU   B 140 ? 0.4858 0.4776 0.2194 0.1330  0.0375  -0.0381 149 LEU   B CD2 
2177 N N   . TYR   B 141 ? 0.5011 0.5153 0.2233 0.1647  0.0512  -0.0158 150 TYR   B N   
2178 C CA  . TYR   B 141 ? 0.5126 0.5386 0.2356 0.1737  0.0574  -0.0073 150 TYR   B CA  
2179 C C   . TYR   B 141 ? 0.5018 0.5375 0.2435 0.1639  0.0662  -0.0007 150 TYR   B C   
2180 O O   . TYR   B 141 ? 0.4978 0.5342 0.2499 0.1579  0.0698  0.0001  150 TYR   B O   
2181 C CB  . TYR   B 141 ? 0.5264 0.5586 0.2442 0.1881  0.0598  -0.0029 150 TYR   B CB  
2182 C CG  . TYR   B 141 ? 0.5366 0.5837 0.2581 0.1975  0.0684  0.0080  150 TYR   B CG  
2183 C CD1 . TYR   B 141 ? 0.5358 0.5923 0.2728 0.1937  0.0776  0.0162  150 TYR   B CD1 
2184 C CD2 . TYR   B 141 ? 0.5534 0.6054 0.2634 0.2099  0.0671  0.0103  150 TYR   B CD2 
2185 C CE1 . TYR   B 141 ? 0.5524 0.6232 0.2933 0.2024  0.0856  0.0273  150 TYR   B CE1 
2186 C CE2 . TYR   B 141 ? 0.5630 0.6310 0.2763 0.2197  0.0752  0.0211  150 TYR   B CE2 
2187 C CZ  . TYR   B 141 ? 0.5583 0.6359 0.2880 0.2151  0.0848  0.0301  150 TYR   B CZ  
2188 O OH  . TYR   B 141 ? 0.6032 0.6971 0.3378 0.2234  0.0933  0.0419  150 TYR   B OH  
2189 N N   A GLY   B 142 ? 0.5013 0.5444 0.2468 0.1634  0.0694  0.0036  151 GLY   B N   
2190 N N   B GLY   B 142 ? 0.5013 0.5444 0.2468 0.1634  0.0695  0.0036  151 GLY   B N   
2191 N N   C GLY   B 142 ? 0.5019 0.5446 0.2476 0.1628  0.0693  0.0033  151 GLY   B N   
2192 N N   D GLY   B 142 ? 0.5019 0.5446 0.2476 0.1628  0.0693  0.0033  151 GLY   B N   
2193 N N   E GLY   B 142 ? 0.5019 0.5446 0.2476 0.1628  0.0693  0.0033  151 GLY   B N   
2194 C CA  A GLY   B 142 ? 0.4951 0.5489 0.2591 0.1554  0.0777  0.0105  151 GLY   B CA  
2195 C CA  B GLY   B 142 ? 0.4951 0.5489 0.2591 0.1554  0.0777  0.0105  151 GLY   B CA  
2196 C CA  C GLY   B 142 ? 0.4957 0.5483 0.2601 0.1538  0.0772  0.0096  151 GLY   B CA  
2197 C CA  D GLY   B 142 ? 0.4957 0.5483 0.2601 0.1538  0.0772  0.0096  151 GLY   B CA  
2198 C CA  E GLY   B 142 ? 0.4957 0.5483 0.2601 0.1538  0.0772  0.0096  151 GLY   B CA  
2199 C C   A GLY   B 142 ? 0.4915 0.5451 0.2623 0.1440  0.0767  0.0077  151 GLY   B C   
2200 C C   B GLY   B 142 ? 0.4916 0.5451 0.2624 0.1440  0.0767  0.0077  151 GLY   B C   
2201 C C   C GLY   B 142 ? 0.4943 0.5501 0.2631 0.1469  0.0769  0.0090  151 GLY   B C   
2202 C C   D GLY   B 142 ? 0.4943 0.5501 0.2631 0.1469  0.0769  0.0090  151 GLY   B C   
2203 C C   E GLY   B 142 ? 0.4943 0.5501 0.2631 0.1469  0.0769  0.0090  151 GLY   B C   
2204 O O   A GLY   B 142 ? 0.4836 0.5468 0.2721 0.1362  0.0834  0.0131  151 GLY   B O   
2205 O O   B GLY   B 142 ? 0.4836 0.5468 0.2721 0.1362  0.0834  0.0131  151 GLY   B O   
2206 O O   C GLY   B 142 ? 0.4906 0.5590 0.2749 0.1433  0.0841  0.0163  151 GLY   B O   
2207 O O   D GLY   B 142 ? 0.4907 0.5590 0.2749 0.1433  0.0841  0.0163  151 GLY   B O   
2208 O O   E GLY   B 142 ? 0.4906 0.5590 0.2749 0.1433  0.0841  0.0163  151 GLY   B O   
2209 N N   A ASN   B 143 ? 0.5013 0.5464 0.2573 0.1462  0.0691  0.0013  152 ASN   B N   
2210 N N   B ASN   B 143 ? 0.5013 0.5464 0.2574 0.1462  0.0691  0.0013  152 ASN   B N   
2211 N N   C ASN   B 143 ? 0.5019 0.5464 0.2577 0.1457  0.0687  0.0008  152 ASN   B N   
2212 N N   D ASN   B 143 ? 0.5019 0.5464 0.2577 0.1457  0.0687  0.0008  152 ASN   B N   
2213 N N   E ASN   B 143 ? 0.5019 0.5464 0.2577 0.1457  0.0687  0.0008  152 ASN   B N   
2214 C CA  A ASN   B 143 ? 0.5008 0.5489 0.2595 0.1409  0.0685  0.0006  152 ASN   B CA  
2215 C CA  B ASN   B 143 ? 0.5009 0.5490 0.2595 0.1409  0.0685  0.0006  152 ASN   B CA  
2216 C CA  C ASN   B 143 ? 0.5009 0.5482 0.2589 0.1405  0.0680  0.0000  152 ASN   B CA  
2217 C CA  D ASN   B 143 ? 0.5009 0.5482 0.2589 0.1405  0.0680  0.0000  152 ASN   B CA  
2218 C CA  E ASN   B 143 ? 0.5009 0.5482 0.2589 0.1405  0.0680  0.0000  152 ASN   B CA  
2219 C C   A ASN   B 143 ? 0.5134 0.5624 0.2542 0.1559  0.0647  0.0013  152 ASN   B C   
2220 C C   B ASN   B 143 ? 0.5134 0.5625 0.2542 0.1561  0.0647  0.0013  152 ASN   B C   
2221 C C   C ASN   B 143 ? 0.5133 0.5620 0.2544 0.1550  0.0644  0.0009  152 ASN   B C   
2222 C C   D ASN   B 143 ? 0.5133 0.5620 0.2544 0.1550  0.0644  0.0009  152 ASN   B C   
2223 C C   E ASN   B 143 ? 0.5133 0.5620 0.2544 0.1550  0.0644  0.0009  152 ASN   B C   
2224 O O   A ASN   B 143 ? 0.5225 0.5601 0.2474 0.1619  0.0578  -0.0038 152 ASN   B O   
2225 O O   B ASN   B 143 ? 0.5224 0.5601 0.2474 0.1618  0.0578  -0.0038 152 ASN   B O   
2226 O O   C ASN   B 143 ? 0.5241 0.5627 0.2488 0.1632  0.0581  -0.0032 152 ASN   B O   
2227 O O   D ASN   B 143 ? 0.5241 0.5627 0.2488 0.1632  0.0581  -0.0032 152 ASN   B O   
2228 O O   E ASN   B 143 ? 0.5241 0.5627 0.2488 0.1632  0.0581  -0.0032 152 ASN   B O   
2229 C CB  A ASN   B 143 ? 0.4975 0.5351 0.2574 0.1279  0.0641  -0.0069 152 ASN   B CB  
2230 C CB  B ASN   B 143 ? 0.4975 0.5351 0.2575 0.1279  0.0641  -0.0069 152 ASN   B CB  
2231 C CB  C ASN   B 143 ? 0.4970 0.5334 0.2555 0.1279  0.0633  -0.0076 152 ASN   B CB  
2232 C CB  D ASN   B 143 ? 0.4971 0.5334 0.2556 0.1279  0.0633  -0.0076 152 ASN   B CB  
2233 C CB  E ASN   B 143 ? 0.4970 0.5334 0.2555 0.1279  0.0633  -0.0076 152 ASN   B CB  
2234 C CG  A ASN   B 143 ? 0.4953 0.5380 0.2595 0.1230  0.0644  -0.0069 152 ASN   B CG  
2235 C CG  B ASN   B 143 ? 0.4954 0.5382 0.2595 0.1230  0.0644  -0.0069 152 ASN   B CG  
2236 C CG  C ASN   B 143 ? 0.4920 0.5346 0.2574 0.1217  0.0646  -0.0072 152 ASN   B CG  
2237 C CG  D ASN   B 143 ? 0.4920 0.5346 0.2574 0.1217  0.0646  -0.0072 152 ASN   B CG  
2238 C CG  E ASN   B 143 ? 0.4920 0.5346 0.2574 0.1217  0.0646  -0.0072 152 ASN   B CG  
2239 O OD1 A ASN   B 143 ? 0.4947 0.5509 0.2652 0.1270  0.0689  -0.0009 152 ASN   B OD1 
2240 O OD1 B ASN   B 143 ? 0.4948 0.5511 0.2653 0.1271  0.0689  -0.0009 152 ASN   B OD1 
2241 O OD1 C ASN   B 143 ? 0.4842 0.5404 0.2629 0.1208  0.0707  -0.0013 152 ASN   B OD1 
2242 O OD1 D ASN   B 143 ? 0.4843 0.5404 0.2629 0.1208  0.0707  -0.0013 152 ASN   B OD1 
2243 O OD1 E ASN   B 143 ? 0.4842 0.5404 0.2629 0.1208  0.0707  -0.0013 152 ASN   B OD1 
2244 N ND2 A ASN   B 143 ? 0.4952 0.5279 0.2560 0.1141  0.0596  -0.0136 152 ASN   B ND2 
2245 N ND2 B ASN   B 143 ? 0.4953 0.5280 0.2561 0.1141  0.0596  -0.0136 152 ASN   B ND2 
2246 N ND2 C ASN   B 143 ? 0.4953 0.5286 0.2520 0.1179  0.0589  -0.0130 152 ASN   B ND2 
2247 N ND2 D ASN   B 143 ? 0.4954 0.5286 0.2520 0.1179  0.0589  -0.0130 152 ASN   B ND2 
2248 N ND2 E ASN   B 143 ? 0.4953 0.5286 0.2520 0.1179  0.0589  -0.0130 152 ASN   B ND2 
2249 N N   . GLY   B 144 ? 0.5102 0.5775 0.2627 0.1571  0.0715  0.0092  153 GLY   B N   
2250 C CA  . GLY   B 144 ? 0.5285 0.6008 0.2677 0.1703  0.0694  0.0109  153 GLY   B CA  
2251 C C   . GLY   B 144 ? 0.5386 0.6298 0.2901 0.1705  0.0756  0.0181  153 GLY   B C   
2252 O O   . GLY   B 144 ? 0.5305 0.6253 0.2961 0.1580  0.0774  0.0173  153 GLY   B O   
2253 N N   . VAL   B 145 ? 0.5574 0.6613 0.3038 0.1847  0.0787  0.0248  154 VAL   B N   
2254 C CA  . VAL   B 145 ? 0.5718 0.6935 0.3235 0.1886  0.0821  0.0303  154 VAL   B CA  
2255 C C   . VAL   B 145 ? 0.5990 0.7397 0.3563 0.1993  0.0901  0.0416  154 VAL   B C   
2256 O O   . VAL   B 145 ? 0.5992 0.7363 0.3455 0.2101  0.0899  0.0430  154 VAL   B O   
2257 C CB  . VAL   B 145 ? 0.5915 0.7047 0.3228 0.1971  0.0740  0.0237  154 VAL   B CB  
2258 C CG1 . VAL   B 145 ? 0.6007 0.7199 0.3154 0.2166  0.0730  0.0267  154 VAL   B CG1 
2259 C CG2 . VAL   B 145 ? 0.5955 0.7133 0.3329 0.1895  0.0729  0.0214  154 VAL   B CG2 
2260 N N   . VAL   B 146 ? 0.6105 0.7709 0.3852 0.1957  0.0968  0.0494  155 VAL   B N   
2261 C CA  . VAL   B 146 ? 0.6367 0.8185 0.4189 0.2051  0.1054  0.0618  155 VAL   B CA  
2262 C C   . VAL   B 146 ? 0.6553 0.8486 0.4231 0.2211  0.1035  0.0632  155 VAL   B C   
2263 O O   . VAL   B 146 ? 0.6477 0.8402 0.4122 0.2189  0.0989  0.0578  155 VAL   B O   
2264 C CB  . VAL   B 146 ? 0.6346 0.8315 0.4448 0.1917  0.1133  0.0696  155 VAL   B CB  
2265 C CG1 . VAL   B 146 ? 0.6470 0.8695 0.4665 0.2002  0.1217  0.0828  155 VAL   B CG1 
2266 C CG2 . VAL   B 146 ? 0.6419 0.8284 0.4637 0.1806  0.1162  0.0703  155 VAL   B CG2 
2267 N N   . ILE   B 147 ? 0.6853 0.8892 0.4441 0.2377  0.1070  0.0703  156 ILE   B N   
2268 C CA  . ILE   B 147 ? 0.7133 0.9286 0.4563 0.2553  0.1050  0.0715  156 ILE   B CA  
2269 C C   . ILE   B 147 ? 0.7421 0.9883 0.5009 0.2604  0.1156  0.0859  156 ILE   B C   
2270 O O   . ILE   B 147 ? 0.7600 1.0143 0.5459 0.2436  0.1229  0.0925  156 ILE   B O   
2271 C CB  . ILE   B 147 ? 0.7384 0.9395 0.4542 0.2723  0.0982  0.0658  156 ILE   B CB  
2272 C CG1 . ILE   B 147 ? 0.7475 0.9519 0.4622 0.2805  0.1034  0.0726  156 ILE   B CG1 
2273 C CG2 . ILE   B 147 ? 0.7415 0.9142 0.4454 0.2646  0.0878  0.0522  156 ILE   B CG2 
2274 C CD1 . ILE   B 147 ? 0.7553 0.9467 0.4431 0.2983  0.0960  0.0663  156 ILE   B CD1 
2275 N N   . LYS   B 148 ? 0.7766 1.0370 0.5230 0.2764  0.1144  0.0875  157 LYS   B N   
2276 C CA  . LYS   B 148 ? 0.7966 1.0890 0.5558 0.2831  0.1236  0.1005  157 LYS   B CA  
2277 C C   . LYS   B 148 ? 0.7867 1.0911 0.5596 0.2832  0.1339  0.1135  157 LYS   B C   
2278 O O   . LYS   B 148 ? 0.7849 1.1095 0.5828 0.2739  0.1427  0.1243  157 LYS   B O   
2279 C CB  . LYS   B 148 ? 0.8434 1.1454 0.5799 0.3061  0.1205  0.1003  157 LYS   B CB  
2280 C CG  . LYS   B 148 ? 0.8825 1.1794 0.6087 0.3071  0.1123  0.0906  157 LYS   B CG  
2281 C CD  . LYS   B 148 ? 0.9218 1.2084 0.6164 0.3282  0.1039  0.0834  157 LYS   B CD  
2282 C CE  . LYS   B 148 ? 0.9517 1.2660 0.6399 0.3488  0.1086  0.0922  157 LYS   B CE  
2283 N NZ  . LYS   B 148 ? 0.9652 1.2934 0.6551 0.3503  0.1068  0.0909  157 LYS   B NZ  
2284 N N   A ASN   B 149 ? 0.7906 1.0819 0.5477 0.2930  0.1323  0.1121  158 ASN   B N   
2285 N N   B ASN   B 149 ? 0.7907 1.0820 0.5478 0.2930  0.1323  0.1121  158 ASN   B N   
2286 N N   C ASN   B 149 ? 0.7893 1.0813 0.5464 0.2934  0.1325  0.1124  158 ASN   B N   
2287 N N   D ASN   B 149 ? 0.7893 1.0813 0.5464 0.2934  0.1325  0.1124  158 ASN   B N   
2288 N N   E ASN   B 149 ? 0.7893 1.0813 0.5464 0.2934  0.1325  0.1124  158 ASN   B N   
2289 C CA  A ASN   B 149 ? 0.7881 1.0876 0.5518 0.2972  0.1412  0.1237  158 ASN   B CA  
2290 C CA  B ASN   B 149 ? 0.7882 1.0878 0.5519 0.2972  0.1412  0.1237  158 ASN   B CA  
2291 C CA  C ASN   B 149 ? 0.7855 1.0862 0.5502 0.2969  0.1416  0.1242  158 ASN   B CA  
2292 C CA  D ASN   B 149 ? 0.7855 1.0862 0.5503 0.2969  0.1416  0.1242  158 ASN   B CA  
2293 C CA  E ASN   B 149 ? 0.7855 1.0862 0.5502 0.2969  0.1416  0.1242  158 ASN   B CA  
2294 C C   A ASN   B 149 ? 0.7649 1.0598 0.5544 0.2755  0.1464  0.1274  158 ASN   B C   
2295 C C   B ASN   B 149 ? 0.7651 1.0600 0.5546 0.2755  0.1464  0.1274  158 ASN   B C   
2296 C C   C ASN   B 149 ? 0.7622 1.0589 0.5535 0.2748  0.1469  0.1280  158 ASN   B C   
2297 C C   D ASN   B 149 ? 0.7622 1.0590 0.5535 0.2748  0.1469  0.1280  158 ASN   B C   
2298 C C   E ASN   B 149 ? 0.7622 1.0589 0.5535 0.2748  0.1469  0.1280  158 ASN   B C   
2299 O O   A ASN   B 149 ? 0.7732 1.0815 0.5768 0.2752  0.1563  0.1406  158 ASN   B O   
2300 O O   B ASN   B 149 ? 0.7736 1.0819 0.5771 0.2752  0.1563  0.1405  158 ASN   B O   
2301 O O   C ASN   B 149 ? 0.7681 1.0809 0.5761 0.2732  0.1572  0.1418  158 ASN   B O   
2302 O O   D ASN   B 149 ? 0.7681 1.0810 0.5761 0.2732  0.1572  0.1418  158 ASN   B O   
2303 O O   E ASN   B 149 ? 0.7681 1.0809 0.5761 0.2732  0.1572  0.1418  158 ASN   B O   
2304 C CB  A ASN   B 149 ? 0.8037 1.0865 0.5427 0.3119  0.1358  0.1180  158 ASN   B CB  
2305 C CB  B ASN   B 149 ? 0.8040 1.0867 0.5429 0.3119  0.1359  0.1180  158 ASN   B CB  
2306 C CB  C ASN   B 149 ? 0.7995 1.0831 0.5410 0.3105  0.1368  0.1190  158 ASN   B CB  
2307 C CB  D ASN   B 149 ? 0.7996 1.0832 0.5410 0.3105  0.1368  0.1190  158 ASN   B CB  
2308 C CB  E ASN   B 149 ? 0.7995 1.0831 0.5410 0.3105  0.1368  0.1190  158 ASN   B CB  
2309 C CG  A ASN   B 149 ? 0.8177 1.0916 0.5288 0.3281  0.1255  0.1073  158 ASN   B CG  
2310 C CG  B ASN   B 149 ? 0.8180 1.0919 0.5290 0.3281  0.1255  0.1073  158 ASN   B CG  
2311 C CG  C ASN   B 149 ? 0.8100 1.0743 0.5252 0.3195  0.1241  0.1041  158 ASN   B CG  
2312 C CG  D ASN   B 149 ? 0.8101 1.0744 0.5253 0.3195  0.1241  0.1041  158 ASN   B CG  
2313 C CG  E ASN   B 149 ? 0.8100 1.0743 0.5252 0.3195  0.1241  0.1041  158 ASN   B CG  
2314 O OD1 A ASN   B 149 ? 0.8111 1.0897 0.5199 0.3285  0.1221  0.1036  158 ASN   B OD1 
2315 O OD1 B ASN   B 149 ? 0.8110 1.0896 0.5198 0.3285  0.1221  0.1036  158 ASN   B OD1 
2316 O OD1 C ASN   B 149 ? 0.8083 1.0789 0.5154 0.3262  0.1204  0.1010  158 ASN   B OD1 
2317 O OD1 D ASN   B 149 ? 0.8083 1.0789 0.5154 0.3262  0.1204  0.1011  158 ASN   B OD1 
2318 O OD1 E ASN   B 149 ? 0.8083 1.0789 0.5154 0.3262  0.1204  0.1010  158 ASN   B OD1 
2319 N ND2 A ASN   B 149 ? 0.8286 1.0887 0.5181 0.3417  0.1200  0.1017  158 ASN   B ND2 
2320 N ND2 B ASN   B 149 ? 0.8288 1.0889 0.5182 0.3417  0.1200  0.1017  158 ASN   B ND2 
2321 N ND2 C ASN   B 149 ? 0.8153 1.0557 0.5173 0.3195  0.1171  0.0948  158 ASN   B ND2 
2322 N ND2 D ASN   B 149 ? 0.8153 1.0558 0.5174 0.3195  0.1171  0.0948  158 ASN   B ND2 
2323 N ND2 E ASN   B 149 ? 0.8153 1.0557 0.5173 0.3195  0.1171  0.0948  158 ASN   B ND2 
2324 N N   . GLY   B 150 ? 0.7460 1.0222 0.5408 0.2587  0.1401  0.1165  159 GLY   B N   
2325 C CA  . GLY   B 150 ? 0.6850 0.9528 0.5016 0.2385  0.1432  0.1174  159 GLY   B CA  
2326 C C   . GLY   B 150 ? 0.6509 0.8945 0.4570 0.2370  0.1390  0.1103  159 GLY   B C   
2327 O O   . GLY   B 150 ? 0.6469 0.8810 0.4678 0.2219  0.1407  0.1097  159 GLY   B O   
2328 N N   A SER   B 151 ? 0.6559 0.8905 0.4368 0.2530  0.1333  0.1047  160 SER   B N   
2329 N N   B SER   B 151 ? 0.6538 0.8884 0.4349 0.2530  0.1334  0.1049  160 SER   B N   
2330 N N   C SER   B 151 ? 0.6555 0.8901 0.4365 0.2530  0.1333  0.1047  160 SER   B N   
2331 N N   D SER   B 151 ? 0.6534 0.8879 0.4344 0.2529  0.1334  0.1049  160 SER   B N   
2332 N N   E SER   B 151 ? 0.6555 0.8901 0.4365 0.2530  0.1333  0.1047  160 SER   B N   
2333 C CA  A SER   B 151 ? 0.6490 0.8608 0.4159 0.2543  0.1272  0.0960  160 SER   B CA  
2334 C CA  B SER   B 151 ? 0.6454 0.8572 0.4131 0.2538  0.1275  0.0963  160 SER   B CA  
2335 C CA  C SER   B 151 ? 0.6483 0.8599 0.4152 0.2541  0.1271  0.0958  160 SER   B CA  
2336 C CA  D SER   B 151 ? 0.6447 0.8562 0.4123 0.2537  0.1274  0.0961  160 SER   B CA  
2337 C CA  E SER   B 151 ? 0.6483 0.8599 0.4152 0.2541  0.1271  0.0958  160 SER   B CA  
2338 C C   A SER   B 151 ? 0.6329 0.8237 0.3981 0.2402  0.1182  0.0820  160 SER   B C   
2339 C C   B SER   B 151 ? 0.6318 0.8224 0.3962 0.2408  0.1180  0.0819  160 SER   B C   
2340 C C   C SER   B 151 ? 0.6314 0.8220 0.3964 0.2401  0.1180  0.0818  160 SER   B C   
2341 C C   D SER   B 151 ? 0.6299 0.8205 0.3943 0.2406  0.1179  0.0818  160 SER   B C   
2342 C C   E SER   B 151 ? 0.6314 0.8220 0.3964 0.2401  0.1180  0.0818  160 SER   B C   
2343 O O   A SER   B 151 ? 0.6261 0.8199 0.3950 0.2342  0.1156  0.0786  160 SER   B O   
2344 O O   B SER   B 151 ? 0.6266 0.8200 0.3923 0.2365  0.1149  0.0781  160 SER   B O   
2345 O O   C SER   B 151 ? 0.6257 0.8198 0.3940 0.2347  0.1154  0.0785  160 SER   B O   
2346 O O   D SER   B 151 ? 0.6257 0.8195 0.3915 0.2367  0.1149  0.0782  160 SER   B O   
2347 O O   E SER   B 151 ? 0.6257 0.8198 0.3940 0.2347  0.1154  0.0785  160 SER   B O   
2348 C CB  A SER   B 151 ? 0.6630 0.8732 0.4042 0.2759  0.1228  0.0936  160 SER   B CB  
2349 C CB  B SER   B 151 ? 0.6575 0.8682 0.4003 0.2754  0.1238  0.0947  160 SER   B CB  
2350 C CB  C SER   B 151 ? 0.6628 0.8730 0.4040 0.2758  0.1228  0.0936  160 SER   B CB  
2351 C CB  D SER   B 151 ? 0.6573 0.8679 0.4001 0.2753  0.1238  0.0947  160 SER   B CB  
2352 C CB  E SER   B 151 ? 0.6628 0.8730 0.4040 0.2758  0.1228  0.0936  160 SER   B CB  
2353 O OG  A SER   B 151 ? 0.6705 0.8660 0.4026 0.2790  0.1203  0.0898  160 SER   B OG  
2354 O OG  B SER   B 151 ? 0.6611 0.8734 0.3886 0.2850  0.1175  0.0890  160 SER   B OG  
2355 O OG  C SER   B 151 ? 0.6701 0.8655 0.4022 0.2790  0.1202  0.0897  160 SER   B OG  
2356 O OG  D SER   B 151 ? 0.6615 0.8738 0.3891 0.2849  0.1175  0.0890  160 SER   B OG  
2357 O OG  E SER   B 151 ? 0.6701 0.8655 0.4022 0.2790  0.1202  0.0897  160 SER   B OG  
2358 N N   A TYR   B 152 ? 0.6245 0.7960 0.3843 0.2356  0.1138  0.0748  161 TYR   B N   
2359 N N   B TYR   B 152 ? 0.6239 0.7954 0.3838 0.2356  0.1138  0.0748  161 TYR   B N   
2360 N N   C TYR   B 152 ? 0.6194 0.7903 0.3793 0.2349  0.1134  0.0742  161 TYR   B N   
2361 N N   D TYR   B 152 ? 0.6188 0.7897 0.3787 0.2349  0.1134  0.0742  161 TYR   B N   
2362 N N   E TYR   B 152 ? 0.6194 0.7903 0.3793 0.2349  0.1134  0.0742  161 TYR   B N   
2363 C CA  A TYR   B 152 ? 0.6124 0.7629 0.3680 0.2238  0.1049  0.0616  161 TYR   B CA  
2364 C CA  B TYR   B 152 ? 0.6122 0.7627 0.3678 0.2238  0.1049  0.0616  161 TYR   B CA  
2365 C CA  C TYR   B 152 ? 0.6044 0.7550 0.3618 0.2219  0.1049  0.0613  161 TYR   B CA  
2366 C CA  D TYR   B 152 ? 0.6042 0.7548 0.3616 0.2220  0.1049  0.0613  161 TYR   B CA  
2367 C CA  E TYR   B 152 ? 0.6044 0.7550 0.3618 0.2219  0.1049  0.0613  161 TYR   B CA  
2368 C C   A TYR   B 152 ? 0.6122 0.7485 0.3423 0.2360  0.0951  0.0520  161 TYR   B C   
2369 C C   B TYR   B 152 ? 0.6122 0.7485 0.3422 0.2360  0.0950  0.0520  161 TYR   B C   
2370 C C   C TYR   B 152 ? 0.6063 0.7401 0.3392 0.2322  0.0950  0.0511  161 TYR   B C   
2371 C C   D TYR   B 152 ? 0.6062 0.7401 0.3391 0.2322  0.0950  0.0511  161 TYR   B C   
2372 C C   E TYR   B 152 ? 0.6063 0.7401 0.3392 0.2322  0.0950  0.0511  161 TYR   B C   
2373 O O   A TYR   B 152 ? 0.6199 0.7572 0.3372 0.2508  0.0948  0.0539  161 TYR   B O   
2374 O O   B TYR   B 152 ? 0.6198 0.7571 0.3370 0.2509  0.0948  0.0539  161 TYR   B O   
2375 O O   C TYR   B 152 ? 0.6138 0.7437 0.3379 0.2413  0.0946  0.0515  161 TYR   B O   
2376 O O   D TYR   B 152 ? 0.6138 0.7436 0.3379 0.2412  0.0946  0.0515  161 TYR   B O   
2377 O O   E TYR   B 152 ? 0.6138 0.7437 0.3379 0.2413  0.0946  0.0515  161 TYR   B O   
2378 C CB  A TYR   B 152 ? 0.6101 0.7496 0.3775 0.2104  0.1063  0.0597  161 TYR   B CB  
2379 C CB  B TYR   B 152 ? 0.6101 0.7496 0.3774 0.2104  0.1063  0.0597  161 TYR   B CB  
2380 C CB  C TYR   B 152 ? 0.5949 0.7370 0.3681 0.2063  0.1075  0.0606  161 TYR   B CB  
2381 C CB  D TYR   B 152 ? 0.5948 0.7369 0.3680 0.2063  0.1075  0.0606  161 TYR   B CB  
2382 C CB  E TYR   B 152 ? 0.5949 0.7370 0.3681 0.2063  0.1075  0.0606  161 TYR   B CB  
2383 C CG  A TYR   B 152 ? 0.6061 0.7308 0.3775 0.1945  0.1003  0.0493  161 TYR   B CG  
2384 C CG  B TYR   B 152 ? 0.6062 0.7309 0.3775 0.1945  0.1003  0.0493  161 TYR   B CG  
2385 C CG  C TYR   B 152 ? 0.5864 0.7150 0.3650 0.1899  0.1020  0.0507  161 TYR   B CG  
2386 C CG  D TYR   B 152 ? 0.5864 0.7150 0.3650 0.1899  0.1020  0.0507  161 TYR   B CG  
2387 C CG  E TYR   B 152 ? 0.5864 0.7150 0.3650 0.1899  0.1020  0.0507  161 TYR   B CG  
2388 C CD1 A TYR   B 152 ? 0.5967 0.7256 0.3880 0.1791  0.1039  0.0508  161 TYR   B CD1 
2389 C CD1 B TYR   B 152 ? 0.5967 0.7256 0.3881 0.1791  0.1039  0.0508  161 TYR   B CD1 
2390 C CD1 C TYR   B 152 ? 0.5779 0.7132 0.3686 0.1800  0.1029  0.0507  161 TYR   B CD1 
2391 C CD1 D TYR   B 152 ? 0.5778 0.7132 0.3685 0.1800  0.1029  0.0507  161 TYR   B CD1 
2392 C CD1 E TYR   B 152 ? 0.5779 0.7132 0.3686 0.1800  0.1029  0.0507  161 TYR   B CD1 
2393 C CD2 A TYR   B 152 ? 0.6117 0.7186 0.3672 0.1949  0.0910  0.0381  161 TYR   B CD2 
2394 C CD2 B TYR   B 152 ? 0.6118 0.7187 0.3673 0.1949  0.0910  0.0381  161 TYR   B CD2 
2395 C CD2 C TYR   B 152 ? 0.5837 0.6942 0.3565 0.1841  0.0964  0.0418  161 TYR   B CD2 
2396 C CD2 D TYR   B 152 ? 0.5837 0.6942 0.3565 0.1841  0.0964  0.0418  161 TYR   B CD2 
2397 C CD2 E TYR   B 152 ? 0.5837 0.6942 0.3565 0.1841  0.0964  0.0418  161 TYR   B CD2 
2398 C CE1 A TYR   B 152 ? 0.5925 0.7091 0.3867 0.1656  0.0987  0.0415  161 TYR   B CE1 
2399 C CE1 B TYR   B 152 ? 0.5926 0.7091 0.3868 0.1656  0.0987  0.0415  161 TYR   B CE1 
2400 C CE1 C TYR   B 152 ? 0.5699 0.6939 0.3651 0.1659  0.0982  0.0420  161 TYR   B CE1 
2401 C CE1 D TYR   B 152 ? 0.5699 0.6939 0.3651 0.1659  0.0982  0.0419  161 TYR   B CE1 
2402 C CE1 E TYR   B 152 ? 0.5699 0.6939 0.3651 0.1659  0.0982  0.0420  161 TYR   B CE1 
2403 C CE2 A TYR   B 152 ? 0.6045 0.6991 0.3637 0.1806  0.0862  0.0297  161 TYR   B CE2 
2404 C CE2 B TYR   B 152 ? 0.6045 0.6991 0.3637 0.1806  0.0862  0.0297  161 TYR   B CE2 
2405 C CE2 C TYR   B 152 ? 0.5757 0.6754 0.3535 0.1697  0.0921  0.0336  161 TYR   B CE2 
2406 C CE2 D TYR   B 152 ? 0.5757 0.6754 0.3535 0.1696  0.0921  0.0336  161 TYR   B CE2 
2407 C CE2 E TYR   B 152 ? 0.5757 0.6754 0.3535 0.1697  0.0921  0.0336  161 TYR   B CE2 
2408 C CZ  A TYR   B 152 ? 0.5959 0.6957 0.3739 0.1664  0.0902  0.0314  161 TYR   B CZ  
2409 C CZ  B TYR   B 152 ? 0.5960 0.6958 0.3740 0.1664  0.0902  0.0313  161 TYR   B CZ  
2410 C CZ  C TYR   B 152 ? 0.5688 0.6750 0.3573 0.1608  0.0930  0.0337  161 TYR   B CZ  
2411 C CZ  D TYR   B 152 ? 0.5688 0.6750 0.3573 0.1608  0.0930  0.0337  161 TYR   B CZ  
2412 C CZ  E TYR   B 152 ? 0.5688 0.6750 0.3573 0.1608  0.0930  0.0337  161 TYR   B CZ  
2413 O OH  A TYR   B 152 ? 0.5903 0.6794 0.3716 0.1533  0.0859  0.0233  161 TYR   B OH  
2414 O OH  B TYR   B 152 ? 0.5903 0.6794 0.3717 0.1533  0.0859  0.0233  161 TYR   B OH  
2415 O OH  C TYR   B 152 ? 0.5594 0.6558 0.3521 0.1475  0.0890  0.0258  161 TYR   B OH  
2416 O OH  D TYR   B 152 ? 0.5594 0.6558 0.3521 0.1475  0.0890  0.0258  161 TYR   B OH  
2417 O OH  E TYR   B 152 ? 0.5594 0.6558 0.3521 0.1475  0.0890  0.0258  161 TYR   B OH  
2418 N N   . VAL   B 153 ? 0.6017 0.7254 0.3242 0.2304  0.0870  0.0421  162 VAL   B N   
2419 C CA  . VAL   B 153 ? 0.5851 0.6897 0.2854 0.2375  0.0763  0.0314  162 VAL   B CA  
2420 C C   . VAL   B 153 ? 0.5583 0.6452 0.2636 0.2200  0.0712  0.0224  162 VAL   B C   
2421 O O   . VAL   B 153 ? 0.5523 0.6400 0.2665 0.2088  0.0715  0.0211  162 VAL   B O   
2422 C CB  . VAL   B 153 ? 0.5878 0.6924 0.2706 0.2499  0.0705  0.0283  162 VAL   B CB  
2423 C CG1 . VAL   B 153 ? 0.5955 0.6774 0.2572 0.2547  0.0588  0.0168  162 VAL   B CG1 
2424 C CG2 . VAL   B 153 ? 0.6012 0.7255 0.2787 0.2683  0.0758  0.0373  162 VAL   B CG2 
2425 N N   A SER   B 154 ? 0.5580 0.6304 0.2567 0.2189  0.0664  0.0163  163 SER   B N   
2426 N N   B SER   B 154 ? 0.5580 0.6303 0.2567 0.2189  0.0664  0.0163  163 SER   B N   
2427 N N   C SER   B 154 ? 0.5579 0.6307 0.2576 0.2184  0.0668  0.0166  163 SER   B N   
2428 N N   D SER   B 154 ? 0.5579 0.6307 0.2576 0.2184  0.0667  0.0166  163 SER   B N   
2429 N N   E SER   B 154 ? 0.5579 0.6307 0.2576 0.2184  0.0668  0.0166  163 SER   B N   
2430 C CA  A SER   B 154 ? 0.5464 0.6040 0.2511 0.2026  0.0626  0.0089  163 SER   B CA  
2431 C CA  B SER   B 154 ? 0.5463 0.6039 0.2511 0.2026  0.0626  0.0089  163 SER   B CA  
2432 C CA  C SER   B 154 ? 0.5465 0.6043 0.2519 0.2020  0.0627  0.0089  163 SER   B CA  
2433 C CA  D SER   B 154 ? 0.5465 0.6043 0.2519 0.2020  0.0627  0.0089  163 SER   B CA  
2434 C CA  E SER   B 154 ? 0.5465 0.6043 0.2519 0.2020  0.0627  0.0089  163 SER   B CA  
2435 C C   A SER   B 154 ? 0.5527 0.5916 0.2403 0.2032  0.0515  -0.0014 163 SER   B C   
2436 C C   B SER   B 154 ? 0.5527 0.5915 0.2402 0.2032  0.0515  -0.0014 163 SER   B C   
2437 C C   C SER   B 154 ? 0.5537 0.5928 0.2411 0.2036  0.0516  -0.0013 163 SER   B C   
2438 C C   D SER   B 154 ? 0.5537 0.5928 0.2411 0.2036  0.0516  -0.0013 163 SER   B C   
2439 C C   E SER   B 154 ? 0.5537 0.5928 0.2411 0.2036  0.0516  -0.0013 163 SER   B C   
2440 O O   A SER   B 154 ? 0.5654 0.5961 0.2356 0.2158  0.0449  -0.0055 163 SER   B O   
2441 O O   B SER   B 154 ? 0.5654 0.5959 0.2356 0.2157  0.0449  -0.0056 163 SER   B O   
2442 O O   C SER   B 154 ? 0.5672 0.5989 0.2373 0.2167  0.0453  -0.0050 163 SER   B O   
2443 O O   D SER   B 154 ? 0.5672 0.5989 0.2373 0.2167  0.0453  -0.0050 163 SER   B O   
2444 O O   E SER   B 154 ? 0.5672 0.5989 0.2373 0.2167  0.0453  -0.0050 163 SER   B O   
2445 C CB  A SER   B 154 ? 0.5422 0.5979 0.2540 0.1993  0.0652  0.0096  163 SER   B CB  
2446 C CB  B SER   B 154 ? 0.5422 0.5979 0.2540 0.1994  0.0652  0.0096  163 SER   B CB  
2447 C CB  C SER   B 154 ? 0.5411 0.5972 0.2552 0.1972  0.0657  0.0097  163 SER   B CB  
2448 C CB  D SER   B 154 ? 0.5411 0.5972 0.2552 0.1972  0.0657  0.0097  163 SER   B CB  
2449 C CB  E SER   B 154 ? 0.5411 0.5972 0.2552 0.1972  0.0657  0.0097  163 SER   B CB  
2450 O OG  A SER   B 154 ? 0.5363 0.5774 0.2502 0.1862  0.0601  0.0013  163 SER   B OG  
2451 O OG  B SER   B 154 ? 0.5362 0.5774 0.2501 0.1862  0.0601  0.0013  163 SER   B OG  
2452 O OG  C SER   B 154 ? 0.5352 0.5769 0.2513 0.1842  0.0607  0.0015  163 SER   B OG  
2453 O OG  D SER   B 154 ? 0.5352 0.5768 0.2512 0.1842  0.0606  0.0015  163 SER   B OG  
2454 O OG  E SER   B 154 ? 0.5352 0.5769 0.2513 0.1842  0.0607  0.0015  163 SER   B OG  
2455 N N   A ALA   B 155 ? 0.5429 0.5731 0.2349 0.1894  0.0487  -0.0063 164 ALA   B N   
2456 N N   B ALA   B 155 ? 0.5428 0.5730 0.2348 0.1894  0.0487  -0.0063 164 ALA   B N   
2457 N N   C ALA   B 155 ? 0.5445 0.5740 0.2356 0.1898  0.0483  -0.0066 164 ALA   B N   
2458 N N   D ALA   B 155 ? 0.5445 0.5740 0.2356 0.1898  0.0483  -0.0066 164 ALA   B N   
2459 N N   E ALA   B 155 ? 0.5445 0.5740 0.2356 0.1898  0.0483  -0.0066 164 ALA   B N   
2460 C CA  A ALA   B 155 ? 0.5495 0.5598 0.2290 0.1855  0.0389  -0.0157 164 ALA   B CA  
2461 C CA  B ALA   B 155 ? 0.5493 0.5596 0.2290 0.1854  0.0389  -0.0157 164 ALA   B CA  
2462 C CA  C ALA   B 155 ? 0.5514 0.5609 0.2293 0.1869  0.0382  -0.0160 164 ALA   B CA  
2463 C CA  D ALA   B 155 ? 0.5514 0.5609 0.2292 0.1869  0.0382  -0.0160 164 ALA   B CA  
2464 C CA  E ALA   B 155 ? 0.5514 0.5609 0.2293 0.1869  0.0382  -0.0160 164 ALA   B CA  
2465 C C   A ALA   B 155 ? 0.5495 0.5517 0.2300 0.1823  0.0364  -0.0196 164 ALA   B C   
2466 C C   B ALA   B 155 ? 0.5494 0.5517 0.2300 0.1823  0.0364  -0.0196 164 ALA   B C   
2467 C C   C ALA   B 155 ? 0.5506 0.5518 0.2298 0.1830  0.0357  -0.0201 164 ALA   B C   
2468 C C   D ALA   B 155 ? 0.5506 0.5518 0.2298 0.1830  0.0357  -0.0201 164 ALA   B C   
2469 C C   E ALA   B 155 ? 0.5506 0.5518 0.2298 0.1830  0.0357  -0.0201 164 ALA   B C   
2470 O O   A ALA   B 155 ? 0.5426 0.5510 0.2369 0.1760  0.0420  -0.0170 164 ALA   B O   
2471 O O   B ALA   B 155 ? 0.5427 0.5510 0.2370 0.1760  0.0420  -0.0170 164 ALA   B O   
2472 O O   C ALA   B 155 ? 0.5431 0.5513 0.2361 0.1773  0.0416  -0.0171 164 ALA   B O   
2473 O O   D ALA   B 155 ? 0.5431 0.5513 0.2361 0.1774  0.0416  -0.0171 164 ALA   B O   
2474 O O   E ALA   B 155 ? 0.5431 0.5513 0.2361 0.1773  0.0416  -0.0171 164 ALA   B O   
2475 C CB  A ALA   B 155 ? 0.5419 0.5471 0.2282 0.1707  0.0381  -0.0185 164 ALA   B CB  
2476 C CB  B ALA   B 155 ? 0.5417 0.5470 0.2281 0.1705  0.0382  -0.0184 164 ALA   B CB  
2477 C CB  C ALA   B 155 ? 0.5449 0.5488 0.2286 0.1724  0.0371  -0.0189 164 ALA   B CB  
2478 C CB  D ALA   B 155 ? 0.5449 0.5488 0.2286 0.1724  0.0371  -0.0189 164 ALA   B CB  
2479 C CB  E ALA   B 155 ? 0.5449 0.5488 0.2286 0.1724  0.0371  -0.0189 164 ALA   B CB  
2480 N N   A ILE   B 156 ? 0.5621 0.5489 0.2248 0.1894  0.0263  -0.0268 165 ILE   B N   
2481 N N   B ILE   B 156 ? 0.5620 0.5488 0.2247 0.1893  0.0264  -0.0268 165 ILE   B N   
2482 N N   C ILE   B 156 ? 0.5641 0.5488 0.2248 0.1899  0.0251  -0.0277 165 ILE   B N   
2483 N N   D ILE   B 156 ? 0.5641 0.5489 0.2248 0.1900  0.0251  -0.0277 165 ILE   B N   
2484 N N   E ILE   B 156 ? 0.5641 0.5488 0.2248 0.1899  0.0251  -0.0277 165 ILE   B N   
2485 C CA  A ILE   B 156 ? 0.5638 0.5384 0.2254 0.1834  0.0205  -0.0335 165 ILE   B CA  
2486 C CA  B ILE   B 156 ? 0.5637 0.5383 0.2254 0.1833  0.0205  -0.0335 165 ILE   B CA  
2487 C CA  C ILE   B 156 ? 0.5648 0.5382 0.2256 0.1835  0.0198  -0.0341 165 ILE   B CA  
2488 C CA  D ILE   B 156 ? 0.5649 0.5382 0.2256 0.1835  0.0198  -0.0341 165 ILE   B CA  
2489 C CA  E ILE   B 156 ? 0.5648 0.5382 0.2256 0.1835  0.0198  -0.0341 165 ILE   B CA  
2490 C C   A ILE   B 156 ? 0.5539 0.5208 0.2239 0.1655  0.0196  -0.0366 165 ILE   B C   
2491 C C   B ILE   B 156 ? 0.5538 0.5207 0.2239 0.1655  0.0196  -0.0366 165 ILE   B C   
2492 C C   C ILE   B 156 ? 0.5557 0.5212 0.2247 0.1657  0.0187  -0.0373 165 ILE   B C   
2493 C C   D ILE   B 156 ? 0.5557 0.5212 0.2247 0.1657  0.0187  -0.0373 165 ILE   B C   
2494 C C   E ILE   B 156 ? 0.5557 0.5212 0.2247 0.1657  0.0187  -0.0373 165 ILE   B C   
2495 O O   A ILE   B 156 ? 0.5592 0.5139 0.2198 0.1634  0.0133  -0.0406 165 ILE   B O   
2496 O O   B ILE   B 156 ? 0.5590 0.5138 0.2196 0.1634  0.0134  -0.0405 165 ILE   B O   
2497 O O   C ILE   B 156 ? 0.5624 0.5138 0.2216 0.1630  0.0114  -0.0422 165 ILE   B O   
2498 O O   D ILE   B 156 ? 0.5624 0.5138 0.2216 0.1630  0.0115  -0.0422 165 ILE   B O   
2499 O O   E ILE   B 156 ? 0.5624 0.5138 0.2216 0.1630  0.0114  -0.0422 165 ILE   B O   
2500 C CB  A ILE   B 156 ? 0.5850 0.5459 0.2273 0.1950  0.0100  -0.0402 165 ILE   B CB  
2501 C CB  B ILE   B 156 ? 0.5850 0.5459 0.2273 0.1950  0.0100  -0.0402 165 ILE   B CB  
2502 C CB  C ILE   B 156 ? 0.5849 0.5448 0.2271 0.1946  0.0093  -0.0409 165 ILE   B CB  
2503 C CB  D ILE   B 156 ? 0.5849 0.5448 0.2271 0.1946  0.0093  -0.0409 165 ILE   B CB  
2504 C CB  E ILE   B 156 ? 0.5849 0.5448 0.2271 0.1946  0.0093  -0.0409 165 ILE   B CB  
2505 C CG1 A ILE   B 156 ? 0.5946 0.5649 0.2272 0.2145  0.0113  -0.0367 165 ILE   B CG1 
2506 C CG1 B ILE   B 156 ? 0.5945 0.5649 0.2272 0.2145  0.0113  -0.0367 165 ILE   B CG1 
2507 C CG1 C ILE   B 156 ? 0.5948 0.5634 0.2263 0.2145  0.0103  -0.0376 165 ILE   B CG1 
2508 C CG1 D ILE   B 156 ? 0.5948 0.5634 0.2263 0.2145  0.0103  -0.0376 165 ILE   B CG1 
2509 C CG1 E ILE   B 156 ? 0.5948 0.5634 0.2263 0.2145  0.0103  -0.0376 165 ILE   B CG1 
2510 C CG2 A ILE   B 156 ? 0.5874 0.5379 0.2312 0.1876  0.0041  -0.0469 165 ILE   B CG2 
2511 C CG2 B ILE   B 156 ? 0.5874 0.5379 0.2312 0.1876  0.0041  -0.0469 165 ILE   B CG2 
2512 C CG2 C ILE   B 156 ? 0.5852 0.5377 0.2309 0.1878  0.0049  -0.0466 165 ILE   B CG2 
2513 C CG2 D ILE   B 156 ? 0.5852 0.5377 0.2309 0.1878  0.0049  -0.0466 165 ILE   B CG2 
2514 C CG2 E ILE   B 156 ? 0.5852 0.5377 0.2309 0.1878  0.0049  -0.0466 165 ILE   B CG2 
2515 C CD1 A ILE   B 156 ? 0.6154 0.5728 0.2283 0.2277  0.0004  -0.0440 165 ILE   B CD1 
2516 C CD1 B ILE   B 156 ? 0.6154 0.5728 0.2284 0.2276  0.0004  -0.0440 165 ILE   B CD1 
2517 C CD1 C ILE   B 156 ? 0.6155 0.5706 0.2274 0.2272  -0.0008 -0.0451 165 ILE   B CD1 
2518 C CD1 D ILE   B 156 ? 0.6155 0.5706 0.2274 0.2272  -0.0008 -0.0451 165 ILE   B CD1 
2519 C CD1 E ILE   B 156 ? 0.6155 0.5706 0.2274 0.2272  -0.0008 -0.0451 165 ILE   B CD1 
2520 N N   A THR   B 157 ? 0.5381 0.5125 0.2249 0.1541  0.0259  -0.0344 166 THR   B N   
2521 N N   B THR   B 157 ? 0.5380 0.5124 0.2248 0.1541  0.0259  -0.0344 166 THR   B N   
2522 N N   C THR   B 157 ? 0.5392 0.5138 0.2254 0.1546  0.0260  -0.0342 166 THR   B N   
2523 N N   D THR   B 157 ? 0.5392 0.5138 0.2254 0.1546  0.0260  -0.0342 166 THR   B N   
2524 N N   E THR   B 157 ? 0.5392 0.5138 0.2254 0.1546  0.0260  -0.0342 166 THR   B N   
2525 C CA  A THR   B 157 ? 0.5301 0.5005 0.2261 0.1377  0.0265  -0.0365 166 THR   B CA  
2526 C CA  B THR   B 157 ? 0.5300 0.5005 0.2260 0.1377  0.0265  -0.0365 166 THR   B CA  
2527 C CA  C THR   B 157 ? 0.5312 0.5014 0.2266 0.1381  0.0263  -0.0365 166 THR   B CA  
2528 C CA  D THR   B 157 ? 0.5312 0.5014 0.2266 0.1381  0.0263  -0.0365 166 THR   B CA  
2529 C CA  E THR   B 157 ? 0.5312 0.5014 0.2266 0.1381  0.0263  -0.0365 166 THR   B CA  
2530 C C   A THR   B 157 ? 0.5314 0.4926 0.2300 0.1278  0.0220  -0.0423 166 THR   B C   
2531 C C   B THR   B 157 ? 0.5313 0.4926 0.2300 0.1278  0.0220  -0.0423 166 THR   B C   
2532 C C   C THR   B 157 ? 0.5328 0.4937 0.2302 0.1291  0.0216  -0.0424 166 THR   B C   
2533 C C   D THR   B 157 ? 0.5328 0.4937 0.2302 0.1291  0.0216  -0.0424 166 THR   B C   
2534 C C   E THR   B 157 ? 0.5328 0.4937 0.2302 0.1291  0.0216  -0.0424 166 THR   B C   
2535 O O   A THR   B 157 ? 0.5255 0.4935 0.2346 0.1247  0.0258  -0.0417 166 THR   B O   
2536 O O   B THR   B 157 ? 0.5255 0.4936 0.2347 0.1247  0.0259  -0.0416 166 THR   B O   
2537 O O   C THR   B 157 ? 0.5268 0.4940 0.2345 0.1254  0.0252  -0.0419 166 THR   B O   
2538 O O   D THR   B 157 ? 0.5268 0.4940 0.2345 0.1254  0.0252  -0.0419 166 THR   B O   
2539 O O   E THR   B 157 ? 0.5268 0.4940 0.2345 0.1254  0.0252  -0.0419 166 THR   B O   
2540 C CB  A THR   B 157 ? 0.5142 0.4984 0.2278 0.1301  0.0358  -0.0313 166 THR   B CB  
2541 C CB  B THR   B 157 ? 0.5141 0.4983 0.2278 0.1301  0.0358  -0.0313 166 THR   B CB  
2542 C CB  C THR   B 157 ? 0.5155 0.4996 0.2283 0.1308  0.0356  -0.0312 166 THR   B CB  
2543 C CB  D THR   B 157 ? 0.5155 0.4996 0.2283 0.1308  0.0356  -0.0312 166 THR   B CB  
2544 C CB  E THR   B 157 ? 0.5155 0.4996 0.2283 0.1308  0.0356  -0.0312 166 THR   B CB  
2545 O OG1 A THR   B 157 ? 0.5128 0.5077 0.2276 0.1368  0.0405  -0.0255 166 THR   B OG1 
2546 O OG1 B THR   B 157 ? 0.5127 0.5077 0.2277 0.1367  0.0406  -0.0254 166 THR   B OG1 
2547 O OG1 C THR   B 157 ? 0.5153 0.5094 0.2277 0.1384  0.0398  -0.0256 166 THR   B OG1 
2548 O OG1 D THR   B 157 ? 0.5153 0.5094 0.2277 0.1384  0.0398  -0.0256 166 THR   B OG1 
2549 O OG1 E THR   B 157 ? 0.5153 0.5094 0.2277 0.1384  0.0398  -0.0256 166 THR   B OG1 
2550 C CG2 A THR   B 157 ? 0.5070 0.4873 0.2285 0.1149  0.0357  -0.0343 166 THR   B CG2 
2551 C CG2 B THR   B 157 ? 0.5069 0.4873 0.2285 0.1149  0.0357  -0.0343 166 THR   B CG2 
2552 C CG2 C THR   B 157 ? 0.5082 0.4889 0.2293 0.1156  0.0358  -0.0340 166 THR   B CG2 
2553 C CG2 D THR   B 157 ? 0.5082 0.4889 0.2293 0.1156  0.0358  -0.0340 166 THR   B CG2 
2554 C CG2 E THR   B 157 ? 0.5082 0.4889 0.2293 0.1156  0.0358  -0.0340 166 THR   B CG2 
2555 N N   . GLN   B 158 ? 0.5407 0.4870 0.2292 0.1240  0.0140  -0.0474 167 GLN   B N   
2556 C CA  . GLN   B 158 ? 0.5459 0.4835 0.2363 0.1148  0.0088  -0.0527 167 GLN   B CA  
2557 C C   . GLN   B 158 ? 0.5606 0.4961 0.2587 0.0995  0.0103  -0.0531 167 GLN   B C   
2558 O O   . GLN   B 158 ? 0.5564 0.4893 0.2511 0.0976  0.0109  -0.0514 167 GLN   B O   
2559 C CB  . GLN   B 158 ? 0.5610 0.4829 0.2359 0.1206  -0.0015 -0.0580 167 GLN   B CB  
2560 C CG  . GLN   B 158 ? 0.5603 0.4746 0.2371 0.1135  -0.0077 -0.0635 167 GLN   B CG  
2561 C CD  . GLN   B 158 ? 0.5477 0.4737 0.2355 0.1130  -0.0038 -0.0635 167 GLN   B CD  
2562 O OE1 . GLN   B 158 ? 0.5255 0.4627 0.2266 0.1060  0.0039  -0.0603 167 GLN   B OE1 
2563 N NE2 . GLN   B 158 ? 0.5500 0.4729 0.2315 0.1214  -0.0097 -0.0676 167 GLN   B NE2 
2564 N N   . GLY   B 159 ? 0.5765 0.5136 0.2841 0.0897  0.0107  -0.0552 168 GLY   B N   
2565 C CA  . GLY   B 159 ? 0.6127 0.5480 0.3267 0.0758  0.0116  -0.0558 168 GLY   B CA  
2566 C C   . GLY   B 159 ? 0.6561 0.5758 0.3606 0.0716  0.0031  -0.0593 168 GLY   B C   
2567 O O   . GLY   B 159 ? 0.6776 0.5864 0.3694 0.0798  -0.0033 -0.0612 168 GLY   B O   
2568 N N   A LYS   B 160 ? 0.6641 0.5825 0.3749 0.0588  0.0033  -0.0598 169 LYS   B N   
2569 N N   B LYS   B 160 ? 0.6641 0.5825 0.3749 0.0588  0.0033  -0.0598 169 LYS   B N   
2570 N N   C LYS   B 160 ? 0.6675 0.5859 0.3783 0.0588  0.0032  -0.0599 169 LYS   B N   
2571 N N   D LYS   B 160 ? 0.6675 0.5859 0.3783 0.0588  0.0032  -0.0599 169 LYS   B N   
2572 N N   E LYS   B 160 ? 0.6675 0.5859 0.3783 0.0588  0.0032  -0.0599 169 LYS   B N   
2573 C CA  A LYS   B 160 ? 0.6859 0.5904 0.3914 0.0515  -0.0040 -0.0624 169 LYS   B CA  
2574 C CA  B LYS   B 160 ? 0.6859 0.5904 0.3914 0.0515  -0.0040 -0.0624 169 LYS   B CA  
2575 C CA  C LYS   B 160 ? 0.6912 0.5953 0.3962 0.0519  -0.0043 -0.0625 169 LYS   B CA  
2576 C CA  D LYS   B 160 ? 0.6912 0.5953 0.3962 0.0519  -0.0043 -0.0625 169 LYS   B CA  
2577 C CA  E LYS   B 160 ? 0.6912 0.5953 0.3962 0.0519  -0.0043 -0.0625 169 LYS   B CA  
2578 C C   A LYS   B 160 ? 0.6900 0.6013 0.4077 0.0412  -0.0033 -0.0640 169 LYS   B C   
2579 C C   B LYS   B 160 ? 0.6900 0.6013 0.4077 0.0412  -0.0033 -0.0640 169 LYS   B C   
2580 C C   C LYS   B 160 ? 0.6935 0.6042 0.4109 0.0408  -0.0034 -0.0640 169 LYS   B C   
2581 C C   D LYS   B 160 ? 0.6935 0.6042 0.4109 0.0408  -0.0034 -0.0640 169 LYS   B C   
2582 C C   E LYS   B 160 ? 0.6935 0.6042 0.4109 0.0408  -0.0034 -0.0640 169 LYS   B C   
2583 O O   A LYS   B 160 ? 0.6722 0.5969 0.4014 0.0362  0.0038  -0.0622 169 LYS   B O   
2584 O O   B LYS   B 160 ? 0.6722 0.5969 0.4014 0.0362  0.0038  -0.0622 169 LYS   B O   
2585 O O   C LYS   B 160 ? 0.6749 0.5985 0.4035 0.0352  0.0037  -0.0620 169 LYS   B O   
2586 O O   D LYS   B 160 ? 0.6749 0.5985 0.4035 0.0352  0.0037  -0.0620 169 LYS   B O   
2587 O O   E LYS   B 160 ? 0.6749 0.5985 0.4035 0.0352  0.0037  -0.0620 169 LYS   B O   
2588 C CB  A LYS   B 160 ? 0.6923 0.5888 0.3924 0.0459  -0.0042 -0.0600 169 LYS   B CB  
2589 C CB  B LYS   B 160 ? 0.6923 0.5888 0.3924 0.0459  -0.0042 -0.0600 169 LYS   B CB  
2590 C CB  C LYS   B 160 ? 0.7025 0.5978 0.4007 0.0476  -0.0048 -0.0601 169 LYS   B CB  
2591 C CB  D LYS   B 160 ? 0.7025 0.5978 0.4007 0.0476  -0.0048 -0.0601 169 LYS   B CB  
2592 C CB  E LYS   B 160 ? 0.7025 0.5978 0.4007 0.0476  -0.0048 -0.0601 169 LYS   B CB  
2593 C CG  A LYS   B 160 ? 0.7083 0.5882 0.4017 0.0390  -0.0119 -0.0615 169 LYS   B CG  
2594 C CG  B LYS   B 160 ? 0.7083 0.5882 0.4017 0.0390  -0.0119 -0.0615 169 LYS   B CG  
2595 C CG  C LYS   B 160 ? 0.7162 0.6015 0.3995 0.0589  -0.0083 -0.0597 169 LYS   B CG  
2596 C CG  D LYS   B 160 ? 0.7162 0.6015 0.3995 0.0589  -0.0083 -0.0597 169 LYS   B CG  
2597 C CG  E LYS   B 160 ? 0.7162 0.6015 0.3995 0.0589  -0.0083 -0.0597 169 LYS   B CG  
2598 C CD  A LYS   B 160 ? 0.7148 0.5870 0.4029 0.0332  -0.0114 -0.0582 169 LYS   B CD  
2599 C CD  B LYS   B 160 ? 0.7148 0.5870 0.4029 0.0332  -0.0114 -0.0582 169 LYS   B CD  
2600 C CD  C LYS   B 160 ? 0.7229 0.6048 0.4014 0.0563  -0.0063 -0.0566 169 LYS   B CD  
2601 C CD  D LYS   B 160 ? 0.7229 0.6048 0.4014 0.0563  -0.0063 -0.0566 169 LYS   B CD  
2602 C CD  E LYS   B 160 ? 0.7229 0.6048 0.4014 0.0563  -0.0063 -0.0566 169 LYS   B CD  
2603 C CE  A LYS   B 160 ? 0.7304 0.5867 0.4145 0.0244  -0.0183 -0.0587 169 LYS   B CE  
2604 C CE  B LYS   B 160 ? 0.7304 0.5867 0.4145 0.0244  -0.0183 -0.0587 169 LYS   B CE  
2605 C CE  C LYS   B 160 ? 0.7081 0.6068 0.3958 0.0566  0.0024  -0.0536 169 LYS   B CE  
2606 C CE  D LYS   B 160 ? 0.7081 0.6068 0.3958 0.0566  0.0024  -0.0536 169 LYS   B CE  
2607 C CE  E LYS   B 160 ? 0.7081 0.6068 0.3958 0.0566  0.0024  -0.0536 169 LYS   B CE  
2608 N NZ  A LYS   B 160 ? 0.7346 0.5858 0.4155 0.0175  -0.0162 -0.0544 169 LYS   B NZ  
2609 N NZ  B LYS   B 160 ? 0.7346 0.5858 0.4155 0.0175  -0.0162 -0.0544 169 LYS   B NZ  
2610 N NZ  C LYS   B 160 ? 0.7043 0.6116 0.3917 0.0685  0.0049  -0.0529 169 LYS   B NZ  
2611 N NZ  D LYS   B 160 ? 0.7043 0.6116 0.3917 0.0685  0.0049  -0.0529 169 LYS   B NZ  
2612 N NZ  E LYS   B 160 ? 0.7043 0.6116 0.3917 0.0685  0.0049  -0.0529 169 LYS   B NZ  
2613 N N   . ARG   B 161 ? 0.7090 0.6117 0.4246 0.0384  -0.0108 -0.0677 170 ARG   B N   
2614 C CA  . ARG   B 161 ? 0.7431 0.6527 0.4705 0.0282  -0.0111 -0.0694 170 ARG   B CA  
2615 C C   . ARG   B 161 ? 0.8120 0.7127 0.5392 0.0158  -0.0139 -0.0679 170 ARG   B C   
2616 O O   . ARG   B 161 ? 0.8253 0.7088 0.5417 0.0166  -0.0214 -0.0690 170 ARG   B O   
2617 C CB  . ARG   B 161 ? 0.7697 0.6776 0.4956 0.0345  -0.0176 -0.0744 170 ARG   B CB  
2618 C CG  . ARG   B 161 ? 0.7741 0.6917 0.5124 0.0267  -0.0183 -0.0770 170 ARG   B CG  
2619 C CD  . ARG   B 161 ? 0.7931 0.7066 0.5283 0.0326  -0.0268 -0.0828 170 ARG   B CD  
2620 N NE  . ARG   B 161 ? 0.8110 0.7344 0.5589 0.0236  -0.0279 -0.0852 170 ARG   B NE  
2621 C CZ  . ARG   B 161 ? 0.8030 0.7395 0.5580 0.0278  -0.0266 -0.0878 170 ARG   B CZ  
2622 N NH1 . ARG   B 161 ? 0.7965 0.7372 0.5468 0.0412  -0.0240 -0.0880 170 ARG   B NH1 
2623 N NH2 . ARG   B 161 ? 0.8025 0.7484 0.5691 0.0187  -0.0278 -0.0898 170 ARG   B NH2 
2624 N N   . GLU   B 162 ? 0.8725 0.7836 0.6098 0.0057  -0.0078 -0.0650 171 GLU   B N   
2625 C CA  . GLU   B 162 ? 0.9433 0.8483 0.6814 -0.0063 -0.0091 -0.0623 171 GLU   B CA  
2626 C C   . GLU   B 162 ? 0.9729 0.8793 0.7193 -0.0151 -0.0138 -0.0645 171 GLU   B C   
2627 O O   . GLU   B 162 ? 1.0258 0.9178 0.7678 -0.0201 -0.0213 -0.0650 171 GLU   B O   
2628 C CB  . GLU   B 162 ? 0.9836 0.9007 0.7281 -0.0119 -0.0003 -0.0582 171 GLU   B CB  
2629 C CG  . GLU   B 162 ? 1.0165 0.9339 0.7546 -0.0041 0.0040  -0.0564 171 GLU   B CG  
2630 C CD  . GLU   B 162 ? 1.0720 0.9748 0.7977 -0.0039 0.0015  -0.0535 171 GLU   B CD  
2631 O OE1 . GLU   B 162 ? 1.0649 0.9685 0.7917 -0.0118 0.0041  -0.0501 171 GLU   B OE1 
2632 O OE2 . GLU   B 162 ? 1.1374 1.0285 0.8517 0.0049  -0.0029 -0.0547 171 GLU   B OE2 
2633 S S   C DMS   C .   ? 1.2026 1.2442 1.0210 0.1923  0.1320  0.0598  101 DMS   A S   
2634 S S   D DMS   C .   ? 1.2026 1.2442 1.0210 0.1923  0.1320  0.0598  101 DMS   A S   
2635 S S   E DMS   C .   ? 1.2026 1.2442 1.0210 0.1923  0.1320  0.0598  101 DMS   A S   
2636 O O   C DMS   C .   ? 1.2063 1.2523 1.0215 0.2059  0.1399  0.0737  101 DMS   A O   
2637 O O   D DMS   C .   ? 1.2063 1.2523 1.0215 0.2059  0.1399  0.0737  101 DMS   A O   
2638 O O   E DMS   C .   ? 1.2063 1.2523 1.0215 0.2059  0.1399  0.0737  101 DMS   A O   
2639 C C1  C DMS   C .   ? 1.1913 1.2304 0.9987 0.1976  0.1241  0.0473  101 DMS   A C1  
2640 C C1  D DMS   C .   ? 1.1913 1.2304 0.9987 0.1976  0.1241  0.0473  101 DMS   A C1  
2641 C C1  E DMS   C .   ? 1.1913 1.2304 0.9987 0.1976  0.1241  0.0473  101 DMS   A C1  
2642 C C2  C DMS   C .   ? 1.1912 1.2231 1.0274 0.1772  0.1350  0.0597  101 DMS   A C2  
2643 C C2  D DMS   C .   ? 1.1912 1.2231 1.0274 0.1772  0.1350  0.0597  101 DMS   A C2  
2644 C C2  E DMS   C .   ? 1.1912 1.2231 1.0274 0.1772  0.1350  0.0597  101 DMS   A C2  
2645 S S   A DMS   D .   ? 0.7750 0.8855 0.5923 0.1612  0.1131  0.0546  201 DMS   B S   
2646 S S   B DMS   D .   ? 0.7750 0.8856 0.5924 0.1612  0.1131  0.0547  201 DMS   B S   
2647 O O   A DMS   D .   ? 0.7787 0.9067 0.5974 0.1707  0.1184  0.0648  201 DMS   B O   
2648 O O   B DMS   D .   ? 0.7787 0.9067 0.5974 0.1708  0.1184  0.0648  201 DMS   B O   
2649 C C1  A DMS   D .   ? 0.7682 0.8733 0.5917 0.1462  0.1077  0.0453  201 DMS   B C1  
2650 C C1  B DMS   D .   ? 0.7683 0.8735 0.5919 0.1462  0.1077  0.0453  201 DMS   B C1  
2651 C C2  A DMS   D .   ? 0.7823 0.8806 0.5739 0.1721  0.1035  0.0446  201 DMS   B C2  
2652 C C2  B DMS   D .   ? 0.7823 0.8807 0.5739 0.1721  0.1035  0.0446  201 DMS   B C2  
2653 S S   A DMS   E .   ? 1.6482 1.6798 1.5416 0.0176  0.0758  -0.0564 202 DMS   B S   
2654 S S   B DMS   E .   ? 1.6482 1.6798 1.5416 0.0176  0.0758  -0.0564 202 DMS   B S   
2655 O O   A DMS   E .   ? 1.6463 1.6778 1.5262 0.0197  0.0742  -0.0559 202 DMS   B O   
2656 O O   B DMS   E .   ? 1.6463 1.6778 1.5262 0.0197  0.0742  -0.0559 202 DMS   B O   
2657 C C1  A DMS   E .   ? 1.6450 1.6730 1.5423 0.0185  0.0770  -0.0593 202 DMS   B C1  
2658 C C1  B DMS   E .   ? 1.6450 1.6730 1.5423 0.0185  0.0770  -0.0593 202 DMS   B C1  
2659 C C2  A DMS   E .   ? 1.6356 1.6664 1.5350 0.0221  0.0798  -0.0472 202 DMS   B C2  
2660 C C2  B DMS   E .   ? 1.6356 1.6664 1.5350 0.0221  0.0798  -0.0472 202 DMS   B C2  
2661 S S   A DMS   F .   ? 1.5450 1.6470 1.3871 0.1169  0.1004  0.0308  203 DMS   B S   
2662 S S   B DMS   F .   ? 1.5456 1.6476 1.3877 0.1169  0.1004  0.0308  203 DMS   B S   
2663 O O   A DMS   F .   ? 1.5378 1.6389 1.3598 0.1295  0.0961  0.0293  203 DMS   B O   
2664 O O   B DMS   F .   ? 1.5378 1.6390 1.3598 0.1295  0.0961  0.0293  203 DMS   B O   
2665 C C1  A DMS   F .   ? 1.5310 1.6174 1.3710 0.1048  0.0938  0.0187  203 DMS   B C1  
2666 C C1  B DMS   F .   ? 1.5310 1.6174 1.3710 0.1048  0.0938  0.0187  203 DMS   B C1  
2667 C C2  A DMS   F .   ? 1.5277 1.6437 1.3866 0.1090  0.1027  0.0333  203 DMS   B C2  
2668 C C2  B DMS   F .   ? 1.5274 1.6435 1.3864 0.1090  0.1027  0.0333  203 DMS   B C2  
2669 N N1  C A1BGY G .   ? 0.4717 0.5474 0.3111 0.0897  0.0860  0.0050  204 A1BGY B N1  
2670 N N1  D A1BGY G .   ? 0.4717 0.5474 0.3111 0.0897  0.0860  0.0050  204 A1BGY B N1  
2671 N N1  E A1BGY G .   ? 0.4717 0.5474 0.3111 0.0897  0.0860  0.0050  204 A1BGY B N1  
2672 N N3  C A1BGY G .   ? 0.5134 0.6337 0.3286 0.1650  0.1128  0.0566  204 A1BGY B N3  
2673 N N3  D A1BGY G .   ? 0.5134 0.6337 0.3286 0.1650  0.1128  0.0566  204 A1BGY B N3  
2674 N N3  E A1BGY G .   ? 0.5134 0.6337 0.3286 0.1650  0.1128  0.0566  204 A1BGY B N3  
2675 C C4  C A1BGY G .   ? 0.4788 0.5529 0.3020 0.1007  0.0836  0.0059  204 A1BGY B C4  
2676 C C4  D A1BGY G .   ? 0.4788 0.5529 0.3020 0.1007  0.0836  0.0059  204 A1BGY B C4  
2677 C C4  E A1BGY G .   ? 0.4788 0.5529 0.3020 0.1007  0.0836  0.0059  204 A1BGY B C4  
2678 C C5  C A1BGY G .   ? 0.4841 0.5621 0.3029 0.1115  0.0866  0.0123  204 A1BGY B C5  
2679 C C5  D A1BGY G .   ? 0.4841 0.5621 0.3029 0.1115  0.0866  0.0123  204 A1BGY B C5  
2680 C C5  E A1BGY G .   ? 0.4841 0.5621 0.3029 0.1115  0.0866  0.0123  204 A1BGY B C5  
2681 C C6  C A1BGY G .   ? 0.4825 0.5664 0.3145 0.1107  0.0931  0.0191  204 A1BGY B C6  
2682 C C6  D A1BGY G .   ? 0.4825 0.5664 0.3145 0.1107  0.0931  0.0191  204 A1BGY B C6  
2683 C C6  E A1BGY G .   ? 0.4825 0.5664 0.3145 0.1107  0.0931  0.0191  204 A1BGY B C6  
2684 C C7  C A1BGY G .   ? 0.4913 0.5942 0.3272 0.1275  0.1035  0.0367  204 A1BGY B C7  
2685 C C7  D A1BGY G .   ? 0.4913 0.5942 0.3272 0.1275  0.1035  0.0367  204 A1BGY B C7  
2686 C C7  E A1BGY G .   ? 0.4913 0.5942 0.3272 0.1275  0.1035  0.0367  204 A1BGY B C7  
2687 C C8  C A1BGY G .   ? 0.5006 0.6068 0.3264 0.1419  0.1061  0.0429  204 A1BGY B C8  
2688 C C8  D A1BGY G .   ? 0.5006 0.6068 0.3263 0.1419  0.1061  0.0429  204 A1BGY B C8  
2689 C C8  E A1BGY G .   ? 0.5006 0.6068 0.3264 0.1419  0.1061  0.0429  204 A1BGY B C8  
2690 C C10 C A1BGY G .   ? 0.5141 0.6183 0.3191 0.1634  0.1066  0.0472  204 A1BGY B C10 
2691 C C10 D A1BGY G .   ? 0.5141 0.6183 0.3191 0.1634  0.1066  0.0472  204 A1BGY B C10 
2692 C C10 E A1BGY G .   ? 0.5141 0.6183 0.3191 0.1634  0.1066  0.0472  204 A1BGY B C10 
2693 C C13 C A1BGY G .   ? 0.5301 0.6189 0.2997 0.1832  0.0954  0.0371  204 A1BGY B C13 
2694 C C13 D A1BGY G .   ? 0.5301 0.6189 0.2997 0.1832  0.0954  0.0371  204 A1BGY B C13 
2695 C C13 E A1BGY G .   ? 0.5301 0.6189 0.2997 0.1832  0.0954  0.0371  204 A1BGY B C13 
2696 C C15 C A1BGY G .   ? 0.5046 0.6263 0.3335 0.1512  0.1123  0.0537  204 A1BGY B C15 
2697 C C15 D A1BGY G .   ? 0.5046 0.6263 0.3335 0.1512  0.1123  0.0537  204 A1BGY B C15 
2698 C C15 E A1BGY G .   ? 0.5046 0.6263 0.3335 0.1512  0.1123  0.0537  204 A1BGY B C15 
2699 C C1  C A1BGY G .   ? 0.4746 0.5631 0.3388 0.0968  0.1026  0.0261  204 A1BGY B C1  
2700 C C1  D A1BGY G .   ? 0.4746 0.5631 0.3388 0.0968  0.1026  0.0261  204 A1BGY B C1  
2701 C C1  E A1BGY G .   ? 0.4746 0.5631 0.3388 0.0968  0.1026  0.0261  204 A1BGY B C1  
2702 C C2  C A1BGY G .   ? 0.4752 0.5596 0.3246 0.0986  0.0958  0.0186  204 A1BGY B C2  
2703 C C2  D A1BGY G .   ? 0.4752 0.5596 0.3246 0.0986  0.0958  0.0186  204 A1BGY B C2  
2704 C C2  E A1BGY G .   ? 0.4752 0.5596 0.3246 0.0986  0.0958  0.0186  204 A1BGY B C2  
2705 C C3  C A1BGY G .   ? 0.4704 0.5507 0.3228 0.0887  0.0918  0.0111  204 A1BGY B C3  
2706 C C3  D A1BGY G .   ? 0.4704 0.5507 0.3228 0.0887  0.0918  0.0111  204 A1BGY B C3  
2707 C C3  E A1BGY G .   ? 0.4704 0.5507 0.3228 0.0887  0.0918  0.0111  204 A1BGY B C3  
2708 N N2  C A1BGY G .   ? 0.4894 0.5781 0.3165 0.1224  0.0968  0.0264  204 A1BGY B N2  
2709 N N2  D A1BGY G .   ? 0.4894 0.5781 0.3165 0.1224  0.0968  0.0264  204 A1BGY B N2  
2710 N N2  E A1BGY G .   ? 0.4894 0.5781 0.3165 0.1224  0.0968  0.0264  204 A1BGY B N2  
2711 O O1  C A1BGY G .   ? 0.4878 0.6005 0.3395 0.1208  0.1073  0.0408  204 A1BGY B O1  
2712 O O1  D A1BGY G .   ? 0.4878 0.6005 0.3395 0.1208  0.1073  0.0408  204 A1BGY B O1  
2713 O O1  E A1BGY G .   ? 0.4878 0.6005 0.3395 0.1208  0.1073  0.0408  204 A1BGY B O1  
2714 C C9  C A1BGY G .   ? 0.5060 0.6019 0.3175 0.1492  0.1027  0.0393  204 A1BGY B C9  
2715 C C9  D A1BGY G .   ? 0.5060 0.6019 0.3175 0.1492  0.1027  0.0393  204 A1BGY B C9  
2716 C C9  E A1BGY G .   ? 0.5060 0.6019 0.3175 0.1492  0.1027  0.0393  204 A1BGY B C9  
2717 C C11 C A1BGY G .   ? 0.5238 0.6237 0.3138 0.1763  0.1049  0.0470  204 A1BGY B C11 
2718 C C11 D A1BGY G .   ? 0.5238 0.6237 0.3138 0.1763  0.1049  0.0470  204 A1BGY B C11 
2719 C C11 E A1BGY G .   ? 0.5238 0.6237 0.3138 0.1763  0.1049  0.0470  204 A1BGY B C11 
2720 C C12 C A1BGY G .   ? 0.5241 0.6086 0.3066 0.1733  0.0988  0.0376  204 A1BGY B C12 
2721 C C12 D A1BGY G .   ? 0.5241 0.6086 0.3066 0.1733  0.0988  0.0376  204 A1BGY B C12 
2722 C C12 E A1BGY G .   ? 0.5241 0.6086 0.3066 0.1733  0.0988  0.0376  204 A1BGY B C12 
2723 C C14 C A1BGY G .   ? 0.5206 0.6554 0.3332 0.1790  0.1190  0.0677  204 A1BGY B C14 
2724 C C14 D A1BGY G .   ? 0.5206 0.6554 0.3332 0.1790  0.1189  0.0677  204 A1BGY B C14 
2725 C C14 E A1BGY G .   ? 0.5206 0.6554 0.3332 0.1790  0.1190  0.0677  204 A1BGY B C14 
2726 C C16 C A1BGY G .   ? 0.5025 0.6412 0.3460 0.1488  0.1178  0.0618  204 A1BGY B C16 
2727 C C16 D A1BGY G .   ? 0.5025 0.6412 0.3460 0.1488  0.1178  0.0618  204 A1BGY B C16 
2728 C C16 E A1BGY G .   ? 0.5025 0.6412 0.3460 0.1488  0.1178  0.0618  204 A1BGY B C16 
2729 S S   C SO4   H .   ? 0.8228 0.9677 0.7125 0.1334  0.1371  0.0841  205 SO4   B S   
2730 S S   D SO4   H .   ? 0.8228 0.9677 0.7124 0.1334  0.1371  0.0841  205 SO4   B S   
2731 S S   E SO4   H .   ? 0.8228 0.9677 0.7125 0.1334  0.1371  0.0841  205 SO4   B S   
2732 O O1  C SO4   H .   ? 0.8259 0.9729 0.7386 0.1212  0.1423  0.0899  205 SO4   B O1  
2733 O O1  D SO4   H .   ? 0.8259 0.9729 0.7386 0.1212  0.1423  0.0899  205 SO4   B O1  
2734 O O1  E SO4   H .   ? 0.8259 0.9729 0.7386 0.1212  0.1423  0.0899  205 SO4   B O1  
2735 O O2  C SO4   H .   ? 0.8366 0.9756 0.7138 0.1443  0.1385  0.0865  205 SO4   B O2  
2736 O O2  D SO4   H .   ? 0.8366 0.9756 0.7138 0.1443  0.1385  0.0865  205 SO4   B O2  
2737 O O2  E SO4   H .   ? 0.8366 0.9756 0.7138 0.1443  0.1385  0.0865  205 SO4   B O2  
2738 O O3  C SO4   H .   ? 0.8265 0.9878 0.7128 0.1420  0.1389  0.0897  205 SO4   B O3  
2739 O O3  D SO4   H .   ? 0.8265 0.9878 0.7128 0.1420  0.1389  0.0897  205 SO4   B O3  
2740 O O3  E SO4   H .   ? 0.8265 0.9878 0.7128 0.1420  0.1389  0.0897  205 SO4   B O3  
2741 O O4  C SO4   H .   ? 0.8220 0.9544 0.7042 0.1266  0.1286  0.0702  205 SO4   B O4  
2742 O O4  D SO4   H .   ? 0.8220 0.9544 0.7042 0.1266  0.1286  0.0702  205 SO4   B O4  
2743 O O4  E SO4   H .   ? 0.8220 0.9544 0.7042 0.1266  0.1286  0.0702  205 SO4   B O4  
2744 S S   C SO4   I .   ? 1.3786 1.4090 1.2720 0.0184  0.0764  -0.0564 206 SO4   B S   
2745 S S   D SO4   I .   ? 1.3786 1.4090 1.2720 0.0184  0.0764  -0.0564 206 SO4   B S   
2746 S S   E SO4   I .   ? 1.3786 1.4090 1.2720 0.0184  0.0764  -0.0564 206 SO4   B S   
2747 O O1  C SO4   I .   ? 1.3690 1.3999 1.2685 0.0205  0.0789  -0.0497 206 SO4   B O1  
2748 O O1  D SO4   I .   ? 1.3690 1.3999 1.2685 0.0205  0.0789  -0.0497 206 SO4   B O1  
2749 O O1  E SO4   I .   ? 1.3690 1.3999 1.2685 0.0205  0.0789  -0.0497 206 SO4   B O1  
2750 O O2  C SO4   I .   ? 1.3819 1.4133 1.2629 0.0194  0.0743  -0.0564 206 SO4   B O2  
2751 O O2  D SO4   I .   ? 1.3819 1.4133 1.2629 0.0194  0.0743  -0.0564 206 SO4   B O2  
2752 O O2  E SO4   I .   ? 1.3819 1.4133 1.2629 0.0194  0.0743  -0.0564 206 SO4   B O2  
2753 O O3  C SO4   I .   ? 1.3835 1.4159 1.2822 0.0136  0.0742  -0.0626 206 SO4   B O3  
2754 O O3  D SO4   I .   ? 1.3835 1.4159 1.2822 0.0136  0.0742  -0.0626 206 SO4   B O3  
2755 O O3  E SO4   I .   ? 1.3835 1.4159 1.2822 0.0136  0.0742  -0.0626 206 SO4   B O3  
2756 O O4  C SO4   I .   ? 1.3713 1.3986 1.2659 0.0207  0.0778  -0.0570 206 SO4   B O4  
2757 O O4  D SO4   I .   ? 1.3713 1.3986 1.2659 0.0207  0.0778  -0.0570 206 SO4   B O4  
2758 O O4  E SO4   I .   ? 1.3713 1.3986 1.2659 0.0207  0.0778  -0.0570 206 SO4   B O4  
2759 S S   C DMS   J .   ? 1.4117 1.5099 1.1269 0.3288  0.1426  0.0993  207 DMS   B S   
2760 S S   D DMS   J .   ? 1.4117 1.5099 1.1269 0.3288  0.1426  0.0993  207 DMS   B S   
2761 S S   E DMS   J .   ? 1.4117 1.5099 1.1269 0.3288  0.1426  0.0993  207 DMS   B S   
2762 O O   C DMS   J .   ? 1.4102 1.5041 1.1438 0.3167  0.1528  0.1111  207 DMS   B O   
2763 O O   D DMS   J .   ? 1.4102 1.5041 1.1438 0.3167  0.1528  0.1111  207 DMS   B O   
2764 O O   E DMS   J .   ? 1.4102 1.5041 1.1438 0.3167  0.1528  0.1111  207 DMS   B O   
2765 C C1  C DMS   J .   ? 1.4127 1.5193 1.1258 0.3292  0.1427  0.1022  207 DMS   B C1  
2766 C C1  D DMS   J .   ? 1.4127 1.5193 1.1258 0.3292  0.1427  0.1022  207 DMS   B C1  
2767 C C1  E DMS   J .   ? 1.4127 1.5193 1.1258 0.3292  0.1427  0.1022  207 DMS   B C1  
2768 C C2  C DMS   J .   ? 1.4274 1.5365 1.1249 0.3561  0.1472  0.1094  207 DMS   B C2  
2769 C C2  D DMS   J .   ? 1.4274 1.5365 1.1249 0.3561  0.1472  0.1094  207 DMS   B C2  
2770 C C2  E DMS   J .   ? 1.4274 1.5365 1.1249 0.3561  0.1472  0.1094  207 DMS   B C2  
# 
