data_8RMU
# 
_entry.id   8RMU 
# 
_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   8RMU         pdb_00008rmu 10.2210/pdb8rmu/pdb 
WWPDB D_1292135793 ?            ?                   
# 
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 2025-01-29 ? 
2 'Structure model' 1 1 2025-03-26 ? 
3 'Structure model' 1 2 2025-05-28 ? 
4 'Structure model' 1 3 2025-06-04 ? 
# 
_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             ? 
# 
loop_
_pdbx_audit_revision_group.ordinal 
_pdbx_audit_revision_group.revision_ordinal 
_pdbx_audit_revision_group.data_content_type 
_pdbx_audit_revision_group.group 
1 2 'Structure model' 'Database references' 
2 3 'Structure model' 'Database references' 
3 4 'Structure model' 'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
3 3 'Structure model' citation        
4 3 'Structure model' citation_author 
5 4 'Structure model' citation        
6 4 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1  2 'Structure model' '_citation.country'                 
2  2 'Structure model' '_citation.journal_abbrev'          
3  2 'Structure model' '_citation.journal_id_CSD'          
4  2 'Structure model' '_citation.journal_id_ISSN'         
5  2 'Structure model' '_citation.page_first'              
6  2 'Structure model' '_citation.page_last'               
7  2 'Structure model' '_citation.pdbx_database_id_DOI'    
8  2 'Structure model' '_citation.pdbx_database_id_PubMed' 
9  2 'Structure model' '_citation.title'                   
10 2 'Structure model' '_citation.year'                    
11 3 'Structure model' '_citation.journal_volume'          
12 3 'Structure model' '_citation.page_first'              
13 3 'Structure model' '_citation.page_last'               
14 3 'Structure model' '_citation.title'                   
15 3 'Structure model' '_citation_author.name'             
16 4 'Structure model' '_citation.page_first'              
17 4 'Structure model' '_citation.page_last'               
18 4 'Structure model' '_citation_author.identifier_ORCID' 
# 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8RMU 
_pdbx_database_status.recvd_initial_deposition_date   2024-01-08 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              aengus.mac-sweeney@idorsia.com 
_pdbx_contact_author.name_first         Aengus 
_pdbx_contact_author.name_last          'Mac Sweeney' 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-7250-9541 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Mac Sweeney, A.' 1 ? 
'Sager, C.'       2 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   DE 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            Chemmedchem 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            ? 
_citation.journal_id_ISSN           1860-7187 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            20 
_citation.language                  ? 
_citation.page_first                e202401012 
_citation.page_last                 e202401012 
_citation.title                     
;Discovery of Galactopyranose-1-carboxamides as a New Class of Small, Novel, Potent, Selective, and Orally Active Galectin-3 Inhibitors.
;
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1002/cmdc.202401012 
_citation.pdbx_database_id_PubMed   40071533 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Zumbrunn, C.'    1  0000-0003-2631-7762 
primary 'Remen, L.'       2  ?                   
primary 'Sager, C.P.'     3  0000-0002-1481-9514 
primary 'Grisostomi, C.'  4  ?                   
primary 'Stamm, C.'       5  ?                   
primary 'Krusi, D.'       6  ?                   
primary 'Glutz, S.'       7  ?                   
primary 'Schmidt, G.'     8  ?                   
primary 'Nayler, O.'      9  ?                   
primary 'Iglarz, M.'      10 ?                   
primary 'Mac Sweeney, A.' 11 0000-0001-7250-9541 
primary 'Chambovey, A.'   12 ?                   
primary 'Muller, M.'      13 ?                   
primary 'Mueller, C.'     14 ?                   
primary 'Bourquin, G.'    15 ?                   
primary 'Meyer, S.'       16 0009-0002-8475-2164 
primary 'Huhn, E.'        17 ?                   
primary 'Cattaneo, C.'    18 ?                   
primary 'Vercauteren, M.' 19 0000-0002-0267-299X 
primary 'Gatfield, J.'    20 0000-0003-1617-8500 
primary 'Bolli, M.H.'     21 0000-0001-8642-0396 
# 
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 Galectin-3 15832.244 1   ? ? ? ? 
2 non-polymer syn 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclopentyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide
;
631.428   1   ? ? ? ? 
3 non-polymer syn 'THIOCYANATE ION' 58.082    2   ? ? ? ? 
4 water       nat water 18.015    121 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;Gal-3,35 kDa lectin,Carbohydrate-binding protein 35,CBP 35,Galactose-specific lectin 3,Galactoside-binding protein,GALBP,IgE-binding protein,L-31,Laminin-binding protein,Lectin L-29,Mac-2 antigen
;
# 
_entity_poly.entity_id                      1 
_entity_poly.type                           'polypeptide(L)' 
_entity_poly.nstd_linkage                   no 
_entity_poly.nstd_monomer                   no 
_entity_poly.pdbx_seq_one_letter_code       
;MPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFP
FESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MPLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFP
FESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_entity_poly.pdbx_strand_id                 A 
_entity_poly.pdbx_target_identifier         ? 
# 
loop_
_pdbx_entity_nonpoly.entity_id 
_pdbx_entity_nonpoly.name 
_pdbx_entity_nonpoly.comp_id 
2 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclopentyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide
;
A1H1Y 
3 'THIOCYANATE ION' SCN   
4 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   PRO n 
1 3   LEU n 
1 4   ILE n 
1 5   VAL n 
1 6   PRO n 
1 7   TYR n 
1 8   ASN n 
1 9   LEU n 
1 10  PRO n 
1 11  LEU n 
1 12  PRO n 
1 13  GLY n 
1 14  GLY n 
1 15  VAL n 
1 16  VAL n 
1 17  PRO n 
1 18  ARG n 
1 19  MET n 
1 20  LEU n 
1 21  ILE n 
1 22  THR n 
1 23  ILE n 
1 24  LEU n 
1 25  GLY n 
1 26  THR n 
1 27  VAL n 
1 28  LYS n 
1 29  PRO n 
1 30  ASN n 
1 31  ALA n 
1 32  ASN n 
1 33  ARG n 
1 34  ILE n 
1 35  ALA n 
1 36  LEU n 
1 37  ASP n 
1 38  PHE n 
1 39  GLN n 
1 40  ARG n 
1 41  GLY n 
1 42  ASN n 
1 43  ASP n 
1 44  VAL n 
1 45  ALA n 
1 46  PHE n 
1 47  HIS n 
1 48  PHE n 
1 49  ASN n 
1 50  PRO n 
1 51  ARG n 
1 52  PHE n 
1 53  ASN n 
1 54  GLU n 
1 55  ASN n 
1 56  ASN n 
1 57  ARG n 
1 58  ARG n 
1 59  VAL n 
1 60  ILE n 
1 61  VAL n 
1 62  CYS n 
1 63  ASN n 
1 64  THR n 
1 65  LYS n 
1 66  LEU n 
1 67  ASP n 
1 68  ASN n 
1 69  ASN n 
1 70  TRP n 
1 71  GLY n 
1 72  ARG n 
1 73  GLU n 
1 74  GLU n 
1 75  ARG n 
1 76  GLN n 
1 77  SER n 
1 78  VAL n 
1 79  PHE n 
1 80  PRO n 
1 81  PHE n 
1 82  GLU n 
1 83  SER n 
1 84  GLY n 
1 85  LYS n 
1 86  PRO n 
1 87  PHE n 
1 88  LYS n 
1 89  ILE n 
1 90  GLN n 
1 91  VAL n 
1 92  LEU n 
1 93  VAL n 
1 94  GLU n 
1 95  PRO n 
1 96  ASP n 
1 97  HIS n 
1 98  PHE n 
1 99  LYS n 
1 100 VAL n 
1 101 ALA n 
1 102 VAL n 
1 103 ASN n 
1 104 ASP n 
1 105 ALA n 
1 106 HIS n 
1 107 LEU n 
1 108 LEU n 
1 109 GLN n 
1 110 TYR n 
1 111 ASN n 
1 112 HIS n 
1 113 ARG n 
1 114 VAL n 
1 115 LYS n 
1 116 LYS n 
1 117 LEU n 
1 118 ASN n 
1 119 GLU n 
1 120 ILE n 
1 121 SER n 
1 122 LYS n 
1 123 LEU n 
1 124 GLY n 
1 125 ILE n 
1 126 SER n 
1 127 GLY n 
1 128 ASP n 
1 129 ILE n 
1 130 ASP n 
1 131 LEU n 
1 132 THR n 
1 133 SER n 
1 134 ALA n 
1 135 SER n 
1 136 TYR n 
1 137 THR n 
1 138 MET n 
1 139 ILE n 
# 
_entity_src_gen.entity_id                          1 
_entity_src_gen.pdbx_src_id                        1 
_entity_src_gen.pdbx_alt_source_flag               sample 
_entity_src_gen.pdbx_seq_type                      'Biological sequence' 
_entity_src_gen.pdbx_beg_seq_num                   1 
_entity_src_gen.pdbx_end_seq_num                   139 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'LGALS3, MAC2' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1H1Y non-polymer         . 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-~{N}-[3,5-bis(chloranyl)phenyl]-6-(hydroxymethyl)-3-methoxy-5-oxidanyl-~{N}-[(1~{S},2~{S})-2-oxidanylcyclopentyl]-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxane-2-carboxamide
;
? 'C27 H27 Cl2 F3 N4 O6' 631.428 
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 
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 
SCN   non-polymer         . 'THIOCYANATE ION' ? 'C N S -1'             58.082  
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'           105.093 
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'           119.119 
TRP   'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'        204.225 
TYR   'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'          181.189 
VAL   'L-peptide linking' y VALINE ? 'C5 H11 N O2'          117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   112 ?   ?   ?   A . n 
A 1 2   PRO 2   113 113 PRO PRO A . n 
A 1 3   LEU 3   114 114 LEU LEU A . n 
A 1 4   ILE 4   115 115 ILE ILE A . n 
A 1 5   VAL 5   116 116 VAL VAL A . n 
A 1 6   PRO 6   117 117 PRO PRO A . n 
A 1 7   TYR 7   118 118 TYR TYR A . n 
A 1 8   ASN 8   119 119 ASN ASN A . n 
A 1 9   LEU 9   120 120 LEU LEU A . n 
A 1 10  PRO 10  121 121 PRO PRO A . n 
A 1 11  LEU 11  122 122 LEU LEU A . n 
A 1 12  PRO 12  123 123 PRO PRO A . n 
A 1 13  GLY 13  124 124 GLY GLY A . n 
A 1 14  GLY 14  125 125 GLY GLY A . n 
A 1 15  VAL 15  126 126 VAL VAL A . n 
A 1 16  VAL 16  127 127 VAL VAL A . n 
A 1 17  PRO 17  128 128 PRO PRO A . n 
A 1 18  ARG 18  129 129 ARG ARG A . n 
A 1 19  MET 19  130 130 MET MET A . n 
A 1 20  LEU 20  131 131 LEU LEU A . n 
A 1 21  ILE 21  132 132 ILE ILE A . n 
A 1 22  THR 22  133 133 THR THR A . n 
A 1 23  ILE 23  134 134 ILE ILE A . n 
A 1 24  LEU 24  135 135 LEU LEU A . n 
A 1 25  GLY 25  136 136 GLY GLY A . n 
A 1 26  THR 26  137 137 THR THR A . n 
A 1 27  VAL 27  138 138 VAL VAL A . n 
A 1 28  LYS 28  139 139 LYS LYS A . n 
A 1 29  PRO 29  140 140 PRO PRO A . n 
A 1 30  ASN 30  141 141 ASN ASN A . n 
A 1 31  ALA 31  142 142 ALA ALA A . n 
A 1 32  ASN 32  143 143 ASN ASN A . n 
A 1 33  ARG 33  144 144 ARG ARG A . n 
A 1 34  ILE 34  145 145 ILE ILE A . n 
A 1 35  ALA 35  146 146 ALA ALA A . n 
A 1 36  LEU 36  147 147 LEU LEU A . n 
A 1 37  ASP 37  148 148 ASP ASP A . n 
A 1 38  PHE 38  149 149 PHE PHE A . n 
A 1 39  GLN 39  150 150 GLN GLN A . n 
A 1 40  ARG 40  151 151 ARG ARG A . n 
A 1 41  GLY 41  152 152 GLY GLY A . n 
A 1 42  ASN 42  153 153 ASN ASN A . n 
A 1 43  ASP 43  154 154 ASP ASP A . n 
A 1 44  VAL 44  155 155 VAL VAL A . n 
A 1 45  ALA 45  156 156 ALA ALA A . n 
A 1 46  PHE 46  157 157 PHE PHE A . n 
A 1 47  HIS 47  158 158 HIS HIS A . n 
A 1 48  PHE 48  159 159 PHE PHE A . n 
A 1 49  ASN 49  160 160 ASN ASN A . n 
A 1 50  PRO 50  161 161 PRO PRO A . n 
A 1 51  ARG 51  162 162 ARG ARG A . n 
A 1 52  PHE 52  163 163 PHE PHE A . n 
A 1 53  ASN 53  164 164 ASN ASN A . n 
A 1 54  GLU 54  165 165 GLU GLU A . n 
A 1 55  ASN 55  166 166 ASN ASN A . n 
A 1 56  ASN 56  167 167 ASN ASN A . n 
A 1 57  ARG 57  168 168 ARG ARG A . n 
A 1 58  ARG 58  169 169 ARG ARG A . n 
A 1 59  VAL 59  170 170 VAL VAL A . n 
A 1 60  ILE 60  171 171 ILE ILE A . n 
A 1 61  VAL 61  172 172 VAL VAL A . n 
A 1 62  CYS 62  173 173 CYS CYS A . n 
A 1 63  ASN 63  174 174 ASN ASN A . n 
A 1 64  THR 64  175 175 THR THR A . n 
A 1 65  LYS 65  176 176 LYS LYS A . n 
A 1 66  LEU 66  177 177 LEU LEU A . n 
A 1 67  ASP 67  178 178 ASP ASP A . n 
A 1 68  ASN 68  179 179 ASN ASN A . n 
A 1 69  ASN 69  180 180 ASN ASN A . n 
A 1 70  TRP 70  181 181 TRP TRP A . n 
A 1 71  GLY 71  182 182 GLY GLY A . n 
A 1 72  ARG 72  183 183 ARG ARG A . n 
A 1 73  GLU 73  184 184 GLU GLU A . n 
A 1 74  GLU 74  185 185 GLU GLU A . n 
A 1 75  ARG 75  186 186 ARG ARG A . n 
A 1 76  GLN 76  187 187 GLN GLN A . n 
A 1 77  SER 77  188 188 SER SER A . n 
A 1 78  VAL 78  189 189 VAL VAL A . n 
A 1 79  PHE 79  190 190 PHE PHE A . n 
A 1 80  PRO 80  191 191 PRO PRO A . n 
A 1 81  PHE 81  192 192 PHE PHE A . n 
A 1 82  GLU 82  193 193 GLU GLU A . n 
A 1 83  SER 83  194 194 SER SER A . n 
A 1 84  GLY 84  195 195 GLY GLY A . n 
A 1 85  LYS 85  196 196 LYS LYS A . n 
A 1 86  PRO 86  197 197 PRO PRO A . n 
A 1 87  PHE 87  198 198 PHE PHE A . n 
A 1 88  LYS 88  199 199 LYS LYS A . n 
A 1 89  ILE 89  200 200 ILE ILE A . n 
A 1 90  GLN 90  201 201 GLN GLN A . n 
A 1 91  VAL 91  202 202 VAL VAL A . n 
A 1 92  LEU 92  203 203 LEU LEU A . n 
A 1 93  VAL 93  204 204 VAL VAL A . n 
A 1 94  GLU 94  205 205 GLU GLU A . n 
A 1 95  PRO 95  206 206 PRO PRO A . n 
A 1 96  ASP 96  207 207 ASP ASP A . n 
A 1 97  HIS 97  208 208 HIS HIS A . n 
A 1 98  PHE 98  209 209 PHE PHE A . n 
A 1 99  LYS 99  210 210 LYS LYS A . n 
A 1 100 VAL 100 211 211 VAL VAL A . n 
A 1 101 ALA 101 212 212 ALA ALA A . n 
A 1 102 VAL 102 213 213 VAL VAL A . n 
A 1 103 ASN 103 214 214 ASN ASN A . n 
A 1 104 ASP 104 215 215 ASP ASP A . n 
A 1 105 ALA 105 216 216 ALA ALA A . n 
A 1 106 HIS 106 217 217 HIS HIS A . n 
A 1 107 LEU 107 218 218 LEU LEU A . n 
A 1 108 LEU 108 219 219 LEU LEU A . n 
A 1 109 GLN 109 220 220 GLN GLN A . n 
A 1 110 TYR 110 221 221 TYR TYR A . n 
A 1 111 ASN 111 222 222 ASN ASN A . n 
A 1 112 HIS 112 223 223 HIS HIS A . n 
A 1 113 ARG 113 224 224 ARG ARG A . n 
A 1 114 VAL 114 225 225 VAL VAL A . n 
A 1 115 LYS 115 226 226 LYS LYS A . n 
A 1 116 LYS 116 227 227 LYS LYS A . n 
A 1 117 LEU 117 228 228 LEU LEU A . n 
A 1 118 ASN 118 229 229 ASN ASN A . n 
A 1 119 GLU 119 230 230 GLU GLU A . n 
A 1 120 ILE 120 231 231 ILE ILE A . n 
A 1 121 SER 121 232 232 SER SER A . n 
A 1 122 LYS 122 233 233 LYS LYS A . n 
A 1 123 LEU 123 234 234 LEU LEU A . n 
A 1 124 GLY 124 235 235 GLY GLY A . n 
A 1 125 ILE 125 236 236 ILE ILE A . n 
A 1 126 SER 126 237 237 SER SER A . n 
A 1 127 GLY 127 238 238 GLY GLY A . n 
A 1 128 ASP 128 239 239 ASP ASP A . n 
A 1 129 ILE 129 240 240 ILE ILE A . n 
A 1 130 ASP 130 241 241 ASP ASP A . n 
A 1 131 LEU 131 242 242 LEU LEU A . n 
A 1 132 THR 132 243 243 THR THR A . n 
A 1 133 SER 133 244 244 SER SER A . n 
A 1 134 ALA 134 245 245 ALA ALA A . n 
A 1 135 SER 135 246 246 SER SER A . n 
A 1 136 TYR 136 247 247 TYR TYR A . n 
A 1 137 THR 137 248 248 THR THR A . n 
A 1 138 MET 138 249 249 MET MET A . n 
A 1 139 ILE 139 250 250 ILE ILE A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1H1Y 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1H1Y 
_pdbx_entity_instance_feature.auth_asym_id   ? 
_pdbx_entity_instance_feature.auth_seq_num   ? 
_pdbx_entity_instance_feature.feature_type   'SUBJECT OF INVESTIGATION' 
_pdbx_entity_instance_feature.details        ? 
# 
loop_
_pdbx_nonpoly_scheme.asym_id 
_pdbx_nonpoly_scheme.entity_id 
_pdbx_nonpoly_scheme.mon_id 
_pdbx_nonpoly_scheme.ndb_seq_num 
_pdbx_nonpoly_scheme.pdb_seq_num 
_pdbx_nonpoly_scheme.auth_seq_num 
_pdbx_nonpoly_scheme.pdb_mon_id 
_pdbx_nonpoly_scheme.auth_mon_id 
_pdbx_nonpoly_scheme.pdb_strand_id 
_pdbx_nonpoly_scheme.pdb_ins_code 
B 2 A1H1Y 1   301 1   A1H1Y LIG A . 
C 3 SCN   1   302 1   SCN   SCN A . 
D 3 SCN   1   303 3   SCN   SCN A . 
E 4 HOH   1   401 85  HOH   HOH A . 
E 4 HOH   2   402 101 HOH   HOH A . 
E 4 HOH   3   403 103 HOH   HOH A . 
E 4 HOH   4   404 88  HOH   HOH A . 
E 4 HOH   5   405 130 HOH   HOH A . 
E 4 HOH   6   406 81  HOH   HOH A . 
E 4 HOH   7   407 8   HOH   HOH A . 
E 4 HOH   8   408 66  HOH   HOH A . 
E 4 HOH   9   409 77  HOH   HOH A . 
E 4 HOH   10  410 86  HOH   HOH A . 
E 4 HOH   11  411 22  HOH   HOH A . 
E 4 HOH   12  412 19  HOH   HOH A . 
E 4 HOH   13  413 6   HOH   HOH A . 
E 4 HOH   14  414 18  HOH   HOH A . 
E 4 HOH   15  415 5   HOH   HOH A . 
E 4 HOH   16  416 49  HOH   HOH A . 
E 4 HOH   17  417 107 HOH   HOH A . 
E 4 HOH   18  418 123 HOH   HOH A . 
E 4 HOH   19  419 31  HOH   HOH A . 
E 4 HOH   20  420 139 HOH   HOH A . 
E 4 HOH   21  421 23  HOH   HOH A . 
E 4 HOH   22  422 20  HOH   HOH A . 
E 4 HOH   23  423 32  HOH   HOH A . 
E 4 HOH   24  424 34  HOH   HOH A . 
E 4 HOH   25  425 29  HOH   HOH A . 
E 4 HOH   26  426 54  HOH   HOH A . 
E 4 HOH   27  427 76  HOH   HOH A . 
E 4 HOH   28  428 100 HOH   HOH A . 
E 4 HOH   29  429 46  HOH   HOH A . 
E 4 HOH   30  430 90  HOH   HOH A . 
E 4 HOH   31  431 25  HOH   HOH A . 
E 4 HOH   32  432 59  HOH   HOH A . 
E 4 HOH   33  433 133 HOH   HOH A . 
E 4 HOH   34  434 124 HOH   HOH A . 
E 4 HOH   35  435 115 HOH   HOH A . 
E 4 HOH   36  436 95  HOH   HOH A . 
E 4 HOH   37  437 9   HOH   HOH A . 
E 4 HOH   38  438 72  HOH   HOH A . 
E 4 HOH   39  439 53  HOH   HOH A . 
E 4 HOH   40  440 87  HOH   HOH A . 
E 4 HOH   41  441 36  HOH   HOH A . 
E 4 HOH   42  442 21  HOH   HOH A . 
E 4 HOH   43  443 10  HOH   HOH A . 
E 4 HOH   44  444 44  HOH   HOH A . 
E 4 HOH   45  445 52  HOH   HOH A . 
E 4 HOH   46  446 15  HOH   HOH A . 
E 4 HOH   47  447 140 HOH   HOH A . 
E 4 HOH   48  448 114 HOH   HOH A . 
E 4 HOH   49  449 11  HOH   HOH A . 
E 4 HOH   50  450 17  HOH   HOH A . 
E 4 HOH   51  451 62  HOH   HOH A . 
E 4 HOH   52  452 119 HOH   HOH A . 
E 4 HOH   53  453 13  HOH   HOH A . 
E 4 HOH   54  454 111 HOH   HOH A . 
E 4 HOH   55  455 69  HOH   HOH A . 
E 4 HOH   56  456 7   HOH   HOH A . 
E 4 HOH   57  457 108 HOH   HOH A . 
E 4 HOH   58  458 63  HOH   HOH A . 
E 4 HOH   59  459 68  HOH   HOH A . 
E 4 HOH   60  460 16  HOH   HOH A . 
E 4 HOH   61  461 128 HOH   HOH A . 
E 4 HOH   62  462 71  HOH   HOH A . 
E 4 HOH   63  463 80  HOH   HOH A . 
E 4 HOH   64  464 96  HOH   HOH A . 
E 4 HOH   65  465 3   HOH   HOH A . 
E 4 HOH   66  466 28  HOH   HOH A . 
E 4 HOH   67  467 79  HOH   HOH A . 
E 4 HOH   68  468 142 HOH   HOH A . 
E 4 HOH   69  469 40  HOH   HOH A . 
E 4 HOH   70  470 129 HOH   HOH A . 
E 4 HOH   71  471 89  HOH   HOH A . 
E 4 HOH   72  472 12  HOH   HOH A . 
E 4 HOH   73  473 78  HOH   HOH A . 
E 4 HOH   74  474 135 HOH   HOH A . 
E 4 HOH   75  475 141 HOH   HOH A . 
E 4 HOH   76  476 102 HOH   HOH A . 
E 4 HOH   77  477 91  HOH   HOH A . 
E 4 HOH   78  478 33  HOH   HOH A . 
E 4 HOH   79  479 75  HOH   HOH A . 
E 4 HOH   80  480 4   HOH   HOH A . 
E 4 HOH   81  481 106 HOH   HOH A . 
E 4 HOH   82  482 57  HOH   HOH A . 
E 4 HOH   83  483 82  HOH   HOH A . 
E 4 HOH   84  484 45  HOH   HOH A . 
E 4 HOH   85  485 14  HOH   HOH A . 
E 4 HOH   86  486 39  HOH   HOH A . 
E 4 HOH   87  487 137 HOH   HOH A . 
E 4 HOH   88  488 2   HOH   HOH A . 
E 4 HOH   89  489 27  HOH   HOH A . 
E 4 HOH   90  490 38  HOH   HOH A . 
E 4 HOH   91  491 109 HOH   HOH A . 
E 4 HOH   92  492 41  HOH   HOH A . 
E 4 HOH   93  493 127 HOH   HOH A . 
E 4 HOH   94  494 26  HOH   HOH A . 
E 4 HOH   95  495 92  HOH   HOH A . 
E 4 HOH   96  496 51  HOH   HOH A . 
E 4 HOH   97  497 73  HOH   HOH A . 
E 4 HOH   98  498 30  HOH   HOH A . 
E 4 HOH   99  499 70  HOH   HOH A . 
E 4 HOH   100 500 113 HOH   HOH A . 
E 4 HOH   101 501 55  HOH   HOH A . 
E 4 HOH   102 502 64  HOH   HOH A . 
E 4 HOH   103 503 117 HOH   HOH A . 
E 4 HOH   104 504 65  HOH   HOH A . 
E 4 HOH   105 505 121 HOH   HOH A . 
E 4 HOH   106 506 37  HOH   HOH A . 
E 4 HOH   107 507 48  HOH   HOH A . 
E 4 HOH   108 508 97  HOH   HOH A . 
E 4 HOH   109 509 47  HOH   HOH A . 
E 4 HOH   110 510 110 HOH   HOH A . 
E 4 HOH   111 511 122 HOH   HOH A . 
E 4 HOH   112 512 43  HOH   HOH A . 
E 4 HOH   113 513 145 HOH   HOH A . 
E 4 HOH   114 514 50  HOH   HOH A . 
E 4 HOH   115 515 56  HOH   HOH A . 
E 4 HOH   116 516 84  HOH   HOH A . 
E 4 HOH   117 517 118 HOH   HOH A . 
E 4 HOH   118 518 143 HOH   HOH A . 
E 4 HOH   119 519 58  HOH   HOH A . 
E 4 HOH   120 520 112 HOH   HOH A . 
E 4 HOH   121 521 99  HOH   HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A ILE 115 ? CG1 ? A ILE 4  CG1 
2 1 Y 1 A ILE 115 ? CG2 ? A ILE 4  CG2 
3 1 Y 1 A ILE 115 ? CD1 ? A ILE 4  CD1 
4 1 Y 1 A LYS 210 ? NZ  ? A LYS 99 NZ  
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC ? ? ? 5.8.0419 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? XDS    ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? XSCALE ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8RMU 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     34.490 
_cell.length_a_esd                 ? 
_cell.length_b                     57.740 
_cell.length_b_esd                 ? 
_cell.length_c                     61.530 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         8RMU 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8RMU 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             1.93 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          36.43 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    
;2.4 M Sodium malonate pH 7.0
(Index/C3)
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER X 4M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2020-03-24 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.9998 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'SLS BEAMLINE X06DA' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.9998 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   X06DA 
_diffrn_source.pdbx_synchrotron_site       SLS 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8RMU 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.15 
_reflns.d_resolution_low                               30.765 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     83428 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           98.9 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                3.15 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          7.26 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.073 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.998 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.15 
_reflns_shell.d_res_low                                     1.22 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           0.70 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             13324 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               2.55 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               1.01 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.457 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          ? 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            -2.003 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            -1.388 
_refine.aniso_B[2][3]                            0.000 
_refine.aniso_B[3][3]                            3.391 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               17.305 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.976 
_refine.correlation_coeff_Fo_to_Fc_free          0.972 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8RMU 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.200 
_refine.ls_d_res_low                             30.702 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     39160 
_refine.ls_number_reflns_R_free                  1958 
_refine.ls_number_reflns_R_work                  37202 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.941 
_refine.ls_percent_reflns_R_free                 5.000 
_refine.ls_R_factor_all                          0.164 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1863 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1623 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      ? 
_refine.ls_wR_factor_R_work                      ? 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.046 
_refine.pdbx_overall_ESU_R_Free                  0.043 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             2.337 
_refine.overall_SU_ML                            0.044 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1104 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         48 
_refine_hist.number_atoms_solvent             121 
_refine_hist.number_atoms_total               1273 
_refine_hist.d_res_high                       1.200 
_refine_hist.d_res_low                        30.702 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.005  0.012  1250 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1168 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.262  1.812  1713 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.593  1.807  2689 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.619  5.000  153  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 4.883  5.000  9    ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.231 10.000 199  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 14.901 10.000 60   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.070  0.200  180  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 1.083  0.200  8    ? r_chiral_restr_other           ? ? 
'X-RAY DIFFRACTION' ? 0.006  0.020  1510 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  300  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.193  0.200  152  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.196  0.200  1001 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.168  0.200  553  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.083  0.200  629  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.121  0.200  67   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.174  0.200  7    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.158  0.200  59   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.105  0.200  12   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 3.249  1.716  593  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.226  1.712  591  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.727  3.091  751  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.727  3.092  752  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 3.993  1.918  657  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.985  1.915  656  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 5.875  3.450  962  ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 5.860  3.444  961  ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 10.619 19.906 1256 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 9.600  17.720 1231 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 2.883  3.000  2418 ? r_rigid_bond_restr             ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.200 1.231  2848 . 143 2704 99.9649  . 0.259 . . 0.258 . . . . . 0.227 . 20 . 0.977 0.953 0.274 
'X-RAY DIFFRACTION' 1.231 1.265  2757 . 138 2617 99.9275  . 0.235 . . 0.235 . . . . . 0.203 . 20 . 0.983 0.972 0.245 
'X-RAY DIFFRACTION' 1.265 1.301  2687 . 134 2552 99.9628  . 0.212 . . 0.211 . . . . . 0.180 . 20 . 0.987 0.982 0.249 
'X-RAY DIFFRACTION' 1.301 1.341  2646 . 132 2511 99.8866  . 0.217 . . 0.218 . . . . . 0.187 . 20 . 0.985 0.968 0.203 
'X-RAY DIFFRACTION' 1.341 1.385  2560 . 128 2432 100.0000 . 0.202 . . 0.201 . . . . . 0.174 . 20 . 0.987 0.983 0.206 
'X-RAY DIFFRACTION' 1.385 1.434  2479 . 124 2355 100.0000 . 0.183 . . 0.181 . . . . . 0.157 . 20 . 0.988 0.974 0.225 
'X-RAY DIFFRACTION' 1.434 1.488  2366 . 118 2248 100.0000 . 0.161 . . 0.160 . . . . . 0.145 . 20 . 0.991 0.975 0.194 
'X-RAY DIFFRACTION' 1.488 1.548  2294 . 115 2179 100.0000 . 0.148 . . 0.147 . . . . . 0.136 . 20 . 0.992 0.981 0.159 
'X-RAY DIFFRACTION' 1.548 1.617  2216 . 111 2105 100.0000 . 0.148 . . 0.148 . . . . . 0.143 . 20 . 0.992 0.988 0.158 
'X-RAY DIFFRACTION' 1.617 1.696  2125 . 106 2019 100.0000 . 0.159 . . 0.157 . . . . . 0.156 . 20 . 0.989 0.967 0.210 
'X-RAY DIFFRACTION' 1.696 1.787  2021 . 101 1920 100.0000 . 0.142 . . 0.140 . . . . . 0.145 . 20 . 0.991 0.985 0.178 
'X-RAY DIFFRACTION' 1.787 1.895  1912 . 95  1810 99.6339  . 0.146 . . 0.144 . . . . . 0.158 . 20 . 0.990 0.985 0.174 
'X-RAY DIFFRACTION' 1.895 2.025  1824 . 91  1732 99.9452  . 0.146 . . 0.143 . . . . . 0.164 . 20 . 0.989 0.973 0.206 
'X-RAY DIFFRACTION' 2.025 2.187  1682 . 85  1597 100.0000 . 0.154 . . 0.153 . . . . . 0.179 . 20 . 0.988 0.990 0.160 
'X-RAY DIFFRACTION' 2.187 2.395  1554 . 77  1477 100.0000 . 0.148 . . 0.148 . . . . . 0.179 . 20 . 0.987 0.985 0.152 
'X-RAY DIFFRACTION' 2.395 2.675  1441 . 72  1368 99.9306  . 0.156 . . 0.155 . . . . . 0.185 . 20 . 0.985 0.981 0.185 
'X-RAY DIFFRACTION' 2.675 3.085  1263 . 63  1199 99.9208  . 0.166 . . 0.163 . . . . . 0.202 . 20 . 0.984 0.973 0.217 
'X-RAY DIFFRACTION' 3.085 3.769  1091 . 55  1033 99.7250  . 0.156 . . 0.156 . . . . . 0.191 . 20 . 0.984 0.980 0.164 
'X-RAY DIFFRACTION' 3.769 5.290  861  . 43  818  100.0000 . 0.152 . . 0.151 . . . . . 0.191 . 20 . 0.986 0.983 0.176 
'X-RAY DIFFRACTION' 5.290 30.702 535  . 27  507  99.8131  . 0.223 . . 0.223 . . . . . 0.310 . 20 . 0.969 0.978 0.226 
# 
_struct.entry_id                     8RMU 
_struct.title                        'Galectin-3 with a bound inhibitor' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        8RMU 
_struct_keywords.text            'Inhibitor, fibrosis, SUGAR BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'SUGAR BINDING 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 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    LEG3_HUMAN 
_struct_ref.pdbx_db_accession          P17931 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPF
ESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_struct_ref.pdbx_align_begin           113 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8RMU 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 2 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 139 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P17931 
_struct_ref_seq.db_align_beg                  113 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  250 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       113 
_struct_ref_seq.pdbx_auth_seq_align_end       250 
# 
_struct_ref_seq_dif.align_id                     1 
_struct_ref_seq_dif.pdbx_pdb_id_code             8RMU 
_struct_ref_seq_dif.mon_id                       MET 
_struct_ref_seq_dif.pdbx_pdb_strand_id           A 
_struct_ref_seq_dif.seq_num                      1 
_struct_ref_seq_dif.pdbx_pdb_ins_code            ? 
_struct_ref_seq_dif.pdbx_seq_db_name             UNP 
_struct_ref_seq_dif.pdbx_seq_db_accession_code   P17931 
_struct_ref_seq_dif.db_mon_id                    ? 
_struct_ref_seq_dif.pdbx_seq_db_seq_num          ? 
_struct_ref_seq_dif.details                      'initiating methionine' 
_struct_ref_seq_dif.pdbx_auth_seq_num            112 
_struct_ref_seq_dif.pdbx_ordinal                 1 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_and_software_defined_assembly 
_pdbx_struct_assembly.method_details       PISA 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
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)' 400  ? 
1 MORE         -6   ? 
1 'SSA (A^2)'  7350 ? 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       AA1 
_struct_conf.beg_label_comp_id       LYS 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        116 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       ILE 
_struct_conf.end_label_asym_id       A 
_struct_conf.end_label_seq_id        120 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        LYS 
_struct_conf.beg_auth_asym_id        A 
_struct_conf.beg_auth_seq_id         227 
_struct_conf.end_auth_comp_id        ILE 
_struct_conf.end_auth_asym_id        A 
_struct_conf.end_auth_seq_id         231 
_struct_conf.pdbx_PDB_helix_class    5 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   5 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_mon_prot_cis.pdbx_id 
_struct_mon_prot_cis.label_comp_id 
_struct_mon_prot_cis.label_seq_id 
_struct_mon_prot_cis.label_asym_id 
_struct_mon_prot_cis.label_alt_id 
_struct_mon_prot_cis.pdbx_PDB_ins_code 
_struct_mon_prot_cis.auth_comp_id 
_struct_mon_prot_cis.auth_seq_id 
_struct_mon_prot_cis.auth_asym_id 
_struct_mon_prot_cis.pdbx_label_comp_id_2 
_struct_mon_prot_cis.pdbx_label_seq_id_2 
_struct_mon_prot_cis.pdbx_label_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2 
_struct_mon_prot_cis.pdbx_auth_comp_id_2 
_struct_mon_prot_cis.pdbx_auth_seq_id_2 
_struct_mon_prot_cis.pdbx_auth_asym_id_2 
_struct_mon_prot_cis.pdbx_PDB_model_num 
_struct_mon_prot_cis.pdbx_omega_angle 
1 VAL 5 A . ? VAL 116 A PRO 6 A ? PRO 117 A 1 -2.33 
2 VAL 5 A . ? VAL 116 A PRO 6 A ? PRO 117 A 1 3.03  
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 6 ? 
AA2 ? 6 ? 
AA3 ? 5 ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? 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 TYR A 7   ? PRO A 10  ? TYR A 118 PRO A 121 
AA1 2 LYS A 122 ? GLY A 127 ? LYS A 233 GLY A 238 
AA1 3 ILE A 34  ? ARG A 40  ? ILE A 145 ARG A 151 
AA1 4 ASP A 43  ? GLU A 54  ? ASP A 154 GLU A 165 
AA1 5 ARG A 57  ? LEU A 66  ? ARG A 168 LEU A 177 
AA1 6 ASN A 69  ? TRP A 70  ? ASN A 180 TRP A 181 
AA2 1 TYR A 7   ? PRO A 10  ? TYR A 118 PRO A 121 
AA2 2 LYS A 122 ? GLY A 127 ? LYS A 233 GLY A 238 
AA2 3 ILE A 34  ? ARG A 40  ? ILE A 145 ARG A 151 
AA2 4 ASP A 43  ? GLU A 54  ? ASP A 154 GLU A 165 
AA2 5 ARG A 57  ? LEU A 66  ? ARG A 168 LEU A 177 
AA2 6 GLU A 74  ? GLN A 76  ? GLU A 185 GLN A 187 
AA3 1 ALA A 105 ? ASN A 111 ? ALA A 216 ASN A 222 
AA3 2 HIS A 97  ? VAL A 102 ? HIS A 208 VAL A 213 
AA3 3 PRO A 86  ? VAL A 93  ? PRO A 197 VAL A 204 
AA3 4 MET A 19  ? VAL A 27  ? MET A 130 VAL A 138 
AA3 5 ILE A 129 ? MET A 138 ? ILE A 240 MET A 249 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N LEU A 9   ? N LEU A 120 O LEU A 123 ? O LEU A 234 
AA1 2 3 O LYS A 122 ? O LYS A 233 N GLN A 39  ? N GLN A 150 
AA1 3 4 N PHE A 38  ? N PHE A 149 O PHE A 46  ? O PHE A 157 
AA1 4 5 N ARG A 51  ? N ARG A 162 O VAL A 59  ? O VAL A 170 
AA1 5 6 N LEU A 66  ? N LEU A 177 O ASN A 69  ? O ASN A 180 
AA2 1 2 N LEU A 9   ? N LEU A 120 O LEU A 123 ? O LEU A 234 
AA2 2 3 O LYS A 122 ? O LYS A 233 N GLN A 39  ? N GLN A 150 
AA2 3 4 N PHE A 38  ? N PHE A 149 O PHE A 46  ? O PHE A 157 
AA2 4 5 N ARG A 51  ? N ARG A 162 O VAL A 59  ? O VAL A 170 
AA2 5 6 N ILE A 60  ? N ILE A 171 O GLN A 76  ? O GLN A 187 
AA3 1 2 O LEU A 108 ? O LEU A 219 N VAL A 100 ? N VAL A 211 
AA3 2 3 O LYS A 99  ? O LYS A 210 N LEU A 92  ? N LEU A 203 
AA3 3 4 O ILE A 89  ? O ILE A 200 N ILE A 23  ? N ILE A 134 
AA3 4 5 N LEU A 20  ? N LEU A 131 O THR A 137 ? O THR A 248 
# 
_pdbx_entry_details.entry_id                   8RMU 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ARG A 129 ? ? 88.35   -3.08 
2 1 ASN A 164 ? ? -155.43 67.41 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       521 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   . 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          6.30 
# 
_pdbx_unobs_or_zero_occ_residues.id               1 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num    1 
_pdbx_unobs_or_zero_occ_residues.polymer_flag     Y 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag   1 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id     A 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id     MET 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id      112 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code     ? 
_pdbx_unobs_or_zero_occ_residues.label_asym_id    A 
_pdbx_unobs_or_zero_occ_residues.label_comp_id    MET 
_pdbx_unobs_or_zero_occ_residues.label_seq_id     1 
# 
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 
A1H1Y N1    N  N N 1   
A1H1Y N3    N  Y N 2   
A1H1Y C4    C  Y N 3   
A1H1Y C5    C  Y N 4   
A1H1Y C6    C  N N 5   
A1H1Y C7    C  Y N 6   
A1H1Y C8    C  Y N 7   
A1H1Y C10   C  Y N 8   
A1H1Y C15   C  N N 9   
A1H1Y C17   C  N N 10  
A1H1Y C20   C  Y N 11  
A1H1Y C21   C  Y N 12  
A1H1Y C22   C  Y N 13  
A1H1Y C24   C  Y N 14  
A1H1Y C1    C  N N 15  
A1H1Y OP3   O  N N 16  
A1H1Y C2    C  N R 17  
A1H1Y C3    C  N S 18  
A1H1Y N2    N  Y N 19  
A1H1Y NAA   N  Y N 20  
A1H1Y F1    F  N N 21  
A1H1Y CAA   C  Y N 22  
A1H1Y C9    C  Y N 23  
A1H1Y F2    F  N N 24  
A1H1Y F3    F  N N 25  
A1H1Y C11   C  Y N 26  
A1H1Y C12   C  N R 27  
A1H1Y C14   C  N S 28  
A1H1Y C16   C  N N 29  
A1H1Y "C5'" C  N S 30  
A1H1Y "O5'" O  N N 31  
A1H1Y C19   C  Y N 32  
A1H1Y CL1   CL N N 33  
A1H1Y C23   C  Y N 34  
A1H1Y CL2   CL N N 35  
A1H1Y O6    O  N N 36  
A1H1Y "O2'" O  N N 37  
A1H1Y "C2'" C  N R 38  
A1H1Y "C3'" C  N N 39  
A1H1Y "O3'" O  N N 40  
A1H1Y "C1'" C  N R 41  
A1H1Y "O4'" O  N N 42  
A1H1Y H6    H  N N 43  
A1H1Y H12   H  N N 44  
A1H1Y H11   H  N N 45  
A1H1Y H15   H  N N 46  
A1H1Y H16   H  N N 47  
A1H1Y H19   H  N N 48  
A1H1Y H20   H  N N 49  
A1H1Y H21   H  N N 50  
A1H1Y H2    H  N N 51  
A1H1Y H3    H  N N 52  
A1H1Y H1    H  N N 53  
A1H1Y H4    H  N N 54  
A1H1Y H5    H  N N 55  
A1H1Y H7    H  N N 56  
A1H1Y H8    H  N N 57  
A1H1Y H9    H  N N 58  
A1H1Y H10   H  N N 59  
A1H1Y H13   H  N N 60  
A1H1Y H14   H  N N 61  
A1H1Y H17   H  N N 62  
A1H1Y H18   H  N N 63  
A1H1Y H22   H  N N 64  
A1H1Y H23   H  N N 65  
A1H1Y H24   H  N N 66  
A1H1Y H25   H  N N 67  
A1H1Y H26   H  N N 68  
A1H1Y H27   H  N N 69  
ALA   N     N  N N 70  
ALA   CA    C  N S 71  
ALA   C     C  N N 72  
ALA   O     O  N N 73  
ALA   CB    C  N N 74  
ALA   OXT   O  N N 75  
ALA   H     H  N N 76  
ALA   H2    H  N N 77  
ALA   HA    H  N N 78  
ALA   HB1   H  N N 79  
ALA   HB2   H  N N 80  
ALA   HB3   H  N N 81  
ALA   HXT   H  N N 82  
ARG   N     N  N N 83  
ARG   CA    C  N S 84  
ARG   C     C  N N 85  
ARG   O     O  N N 86  
ARG   CB    C  N N 87  
ARG   CG    C  N N 88  
ARG   CD    C  N N 89  
ARG   NE    N  N N 90  
ARG   CZ    C  N N 91  
ARG   NH1   N  N N 92  
ARG   NH2   N  N N 93  
ARG   OXT   O  N N 94  
ARG   H     H  N N 95  
ARG   H2    H  N N 96  
ARG   HA    H  N N 97  
ARG   HB2   H  N N 98  
ARG   HB3   H  N N 99  
ARG   HG2   H  N N 100 
ARG   HG3   H  N N 101 
ARG   HD2   H  N N 102 
ARG   HD3   H  N N 103 
ARG   HE    H  N N 104 
ARG   HH11  H  N N 105 
ARG   HH12  H  N N 106 
ARG   HH21  H  N N 107 
ARG   HH22  H  N N 108 
ARG   HXT   H  N N 109 
ASN   N     N  N N 110 
ASN   CA    C  N S 111 
ASN   C     C  N N 112 
ASN   O     O  N N 113 
ASN   CB    C  N N 114 
ASN   CG    C  N N 115 
ASN   OD1   O  N N 116 
ASN   ND2   N  N N 117 
ASN   OXT   O  N N 118 
ASN   H     H  N N 119 
ASN   H2    H  N N 120 
ASN   HA    H  N N 121 
ASN   HB2   H  N N 122 
ASN   HB3   H  N N 123 
ASN   HD21  H  N N 124 
ASN   HD22  H  N N 125 
ASN   HXT   H  N N 126 
ASP   N     N  N N 127 
ASP   CA    C  N S 128 
ASP   C     C  N N 129 
ASP   O     O  N N 130 
ASP   CB    C  N N 131 
ASP   CG    C  N N 132 
ASP   OD1   O  N N 133 
ASP   OD2   O  N N 134 
ASP   OXT   O  N N 135 
ASP   H     H  N N 136 
ASP   H2    H  N N 137 
ASP   HA    H  N N 138 
ASP   HB2   H  N N 139 
ASP   HB3   H  N N 140 
ASP   HD2   H  N N 141 
ASP   HXT   H  N N 142 
CYS   N     N  N N 143 
CYS   CA    C  N R 144 
CYS   C     C  N N 145 
CYS   O     O  N N 146 
CYS   CB    C  N N 147 
CYS   SG    S  N N 148 
CYS   OXT   O  N N 149 
CYS   H     H  N N 150 
CYS   H2    H  N N 151 
CYS   HA    H  N N 152 
CYS   HB2   H  N N 153 
CYS   HB3   H  N N 154 
CYS   HG    H  N N 155 
CYS   HXT   H  N N 156 
GLN   N     N  N N 157 
GLN   CA    C  N S 158 
GLN   C     C  N N 159 
GLN   O     O  N N 160 
GLN   CB    C  N N 161 
GLN   CG    C  N N 162 
GLN   CD    C  N N 163 
GLN   OE1   O  N N 164 
GLN   NE2   N  N N 165 
GLN   OXT   O  N N 166 
GLN   H     H  N N 167 
GLN   H2    H  N N 168 
GLN   HA    H  N N 169 
GLN   HB2   H  N N 170 
GLN   HB3   H  N N 171 
GLN   HG2   H  N N 172 
GLN   HG3   H  N N 173 
GLN   HE21  H  N N 174 
GLN   HE22  H  N N 175 
GLN   HXT   H  N N 176 
GLU   N     N  N N 177 
GLU   CA    C  N S 178 
GLU   C     C  N N 179 
GLU   O     O  N N 180 
GLU   CB    C  N N 181 
GLU   CG    C  N N 182 
GLU   CD    C  N N 183 
GLU   OE1   O  N N 184 
GLU   OE2   O  N N 185 
GLU   OXT   O  N N 186 
GLU   H     H  N N 187 
GLU   H2    H  N N 188 
GLU   HA    H  N N 189 
GLU   HB2   H  N N 190 
GLU   HB3   H  N N 191 
GLU   HG2   H  N N 192 
GLU   HG3   H  N N 193 
GLU   HE2   H  N N 194 
GLU   HXT   H  N N 195 
GLY   N     N  N N 196 
GLY   CA    C  N N 197 
GLY   C     C  N N 198 
GLY   O     O  N N 199 
GLY   OXT   O  N N 200 
GLY   H     H  N N 201 
GLY   H2    H  N N 202 
GLY   HA2   H  N N 203 
GLY   HA3   H  N N 204 
GLY   HXT   H  N N 205 
HIS   N     N  N N 206 
HIS   CA    C  N S 207 
HIS   C     C  N N 208 
HIS   O     O  N N 209 
HIS   CB    C  N N 210 
HIS   CG    C  Y N 211 
HIS   ND1   N  Y N 212 
HIS   CD2   C  Y N 213 
HIS   CE1   C  Y N 214 
HIS   NE2   N  Y N 215 
HIS   OXT   O  N N 216 
HIS   H     H  N N 217 
HIS   H2    H  N N 218 
HIS   HA    H  N N 219 
HIS   HB2   H  N N 220 
HIS   HB3   H  N N 221 
HIS   HD1   H  N N 222 
HIS   HD2   H  N N 223 
HIS   HE1   H  N N 224 
HIS   HE2   H  N N 225 
HIS   HXT   H  N N 226 
HOH   O     O  N N 227 
HOH   H1    H  N N 228 
HOH   H2    H  N N 229 
ILE   N     N  N N 230 
ILE   CA    C  N S 231 
ILE   C     C  N N 232 
ILE   O     O  N N 233 
ILE   CB    C  N S 234 
ILE   CG1   C  N N 235 
ILE   CG2   C  N N 236 
ILE   CD1   C  N N 237 
ILE   OXT   O  N N 238 
ILE   H     H  N N 239 
ILE   H2    H  N N 240 
ILE   HA    H  N N 241 
ILE   HB    H  N N 242 
ILE   HG12  H  N N 243 
ILE   HG13  H  N N 244 
ILE   HG21  H  N N 245 
ILE   HG22  H  N N 246 
ILE   HG23  H  N N 247 
ILE   HD11  H  N N 248 
ILE   HD12  H  N N 249 
ILE   HD13  H  N N 250 
ILE   HXT   H  N N 251 
LEU   N     N  N N 252 
LEU   CA    C  N S 253 
LEU   C     C  N N 254 
LEU   O     O  N N 255 
LEU   CB    C  N N 256 
LEU   CG    C  N N 257 
LEU   CD1   C  N N 258 
LEU   CD2   C  N N 259 
LEU   OXT   O  N N 260 
LEU   H     H  N N 261 
LEU   H2    H  N N 262 
LEU   HA    H  N N 263 
LEU   HB2   H  N N 264 
LEU   HB3   H  N N 265 
LEU   HG    H  N N 266 
LEU   HD11  H  N N 267 
LEU   HD12  H  N N 268 
LEU   HD13  H  N N 269 
LEU   HD21  H  N N 270 
LEU   HD22  H  N N 271 
LEU   HD23  H  N N 272 
LEU   HXT   H  N N 273 
LYS   N     N  N N 274 
LYS   CA    C  N S 275 
LYS   C     C  N N 276 
LYS   O     O  N N 277 
LYS   CB    C  N N 278 
LYS   CG    C  N N 279 
LYS   CD    C  N N 280 
LYS   CE    C  N N 281 
LYS   NZ    N  N N 282 
LYS   OXT   O  N N 283 
LYS   H     H  N N 284 
LYS   H2    H  N N 285 
LYS   HA    H  N N 286 
LYS   HB2   H  N N 287 
LYS   HB3   H  N N 288 
LYS   HG2   H  N N 289 
LYS   HG3   H  N N 290 
LYS   HD2   H  N N 291 
LYS   HD3   H  N N 292 
LYS   HE2   H  N N 293 
LYS   HE3   H  N N 294 
LYS   HZ1   H  N N 295 
LYS   HZ2   H  N N 296 
LYS   HZ3   H  N N 297 
LYS   HXT   H  N N 298 
MET   N     N  N N 299 
MET   CA    C  N S 300 
MET   C     C  N N 301 
MET   O     O  N N 302 
MET   CB    C  N N 303 
MET   CG    C  N N 304 
MET   SD    S  N N 305 
MET   CE    C  N N 306 
MET   OXT   O  N N 307 
MET   H     H  N N 308 
MET   H2    H  N N 309 
MET   HA    H  N N 310 
MET   HB2   H  N N 311 
MET   HB3   H  N N 312 
MET   HG2   H  N N 313 
MET   HG3   H  N N 314 
MET   HE1   H  N N 315 
MET   HE2   H  N N 316 
MET   HE3   H  N N 317 
MET   HXT   H  N N 318 
PHE   N     N  N N 319 
PHE   CA    C  N S 320 
PHE   C     C  N N 321 
PHE   O     O  N N 322 
PHE   CB    C  N N 323 
PHE   CG    C  Y N 324 
PHE   CD1   C  Y N 325 
PHE   CD2   C  Y N 326 
PHE   CE1   C  Y N 327 
PHE   CE2   C  Y N 328 
PHE   CZ    C  Y N 329 
PHE   OXT   O  N N 330 
PHE   H     H  N N 331 
PHE   H2    H  N N 332 
PHE   HA    H  N N 333 
PHE   HB2   H  N N 334 
PHE   HB3   H  N N 335 
PHE   HD1   H  N N 336 
PHE   HD2   H  N N 337 
PHE   HE1   H  N N 338 
PHE   HE2   H  N N 339 
PHE   HZ    H  N N 340 
PHE   HXT   H  N N 341 
PRO   N     N  N N 342 
PRO   CA    C  N S 343 
PRO   C     C  N N 344 
PRO   O     O  N N 345 
PRO   CB    C  N N 346 
PRO   CG    C  N N 347 
PRO   CD    C  N N 348 
PRO   OXT   O  N N 349 
PRO   H     H  N N 350 
PRO   HA    H  N N 351 
PRO   HB2   H  N N 352 
PRO   HB3   H  N N 353 
PRO   HG2   H  N N 354 
PRO   HG3   H  N N 355 
PRO   HD2   H  N N 356 
PRO   HD3   H  N N 357 
PRO   HXT   H  N N 358 
SCN   S     S  N N 359 
SCN   C     C  N N 360 
SCN   N     N  N N 361 
SER   N     N  N N 362 
SER   CA    C  N S 363 
SER   C     C  N N 364 
SER   O     O  N N 365 
SER   CB    C  N N 366 
SER   OG    O  N N 367 
SER   OXT   O  N N 368 
SER   H     H  N N 369 
SER   H2    H  N N 370 
SER   HA    H  N N 371 
SER   HB2   H  N N 372 
SER   HB3   H  N N 373 
SER   HG    H  N N 374 
SER   HXT   H  N N 375 
THR   N     N  N N 376 
THR   CA    C  N S 377 
THR   C     C  N N 378 
THR   O     O  N N 379 
THR   CB    C  N R 380 
THR   OG1   O  N N 381 
THR   CG2   C  N N 382 
THR   OXT   O  N N 383 
THR   H     H  N N 384 
THR   H2    H  N N 385 
THR   HA    H  N N 386 
THR   HB    H  N N 387 
THR   HG1   H  N N 388 
THR   HG21  H  N N 389 
THR   HG22  H  N N 390 
THR   HG23  H  N N 391 
THR   HXT   H  N N 392 
TRP   N     N  N N 393 
TRP   CA    C  N S 394 
TRP   C     C  N N 395 
TRP   O     O  N N 396 
TRP   CB    C  N N 397 
TRP   CG    C  Y N 398 
TRP   CD1   C  Y N 399 
TRP   CD2   C  Y N 400 
TRP   NE1   N  Y N 401 
TRP   CE2   C  Y N 402 
TRP   CE3   C  Y N 403 
TRP   CZ2   C  Y N 404 
TRP   CZ3   C  Y N 405 
TRP   CH2   C  Y N 406 
TRP   OXT   O  N N 407 
TRP   H     H  N N 408 
TRP   H2    H  N N 409 
TRP   HA    H  N N 410 
TRP   HB2   H  N N 411 
TRP   HB3   H  N N 412 
TRP   HD1   H  N N 413 
TRP   HE1   H  N N 414 
TRP   HE3   H  N N 415 
TRP   HZ2   H  N N 416 
TRP   HZ3   H  N N 417 
TRP   HH2   H  N N 418 
TRP   HXT   H  N N 419 
TYR   N     N  N N 420 
TYR   CA    C  N S 421 
TYR   C     C  N N 422 
TYR   O     O  N N 423 
TYR   CB    C  N N 424 
TYR   CG    C  Y N 425 
TYR   CD1   C  Y N 426 
TYR   CD2   C  Y N 427 
TYR   CE1   C  Y N 428 
TYR   CE2   C  Y N 429 
TYR   CZ    C  Y N 430 
TYR   OH    O  N N 431 
TYR   OXT   O  N N 432 
TYR   H     H  N N 433 
TYR   H2    H  N N 434 
TYR   HA    H  N N 435 
TYR   HB2   H  N N 436 
TYR   HB3   H  N N 437 
TYR   HD1   H  N N 438 
TYR   HD2   H  N N 439 
TYR   HE1   H  N N 440 
TYR   HE2   H  N N 441 
TYR   HH    H  N N 442 
TYR   HXT   H  N N 443 
VAL   N     N  N N 444 
VAL   CA    C  N S 445 
VAL   C     C  N N 446 
VAL   O     O  N N 447 
VAL   CB    C  N N 448 
VAL   CG1   C  N N 449 
VAL   CG2   C  N N 450 
VAL   OXT   O  N N 451 
VAL   H     H  N N 452 
VAL   H2    H  N N 453 
VAL   HA    H  N N 454 
VAL   HB    H  N N 455 
VAL   HG11  H  N N 456 
VAL   HG12  H  N N 457 
VAL   HG13  H  N N 458 
VAL   HG21  H  N N 459 
VAL   HG22  H  N N 460 
VAL   HG23  H  N N 461 
VAL   HXT   H  N N 462 
# 
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 
A1H1Y CL2   C23   sing N N 1   
A1H1Y C23   C22   doub Y N 2   
A1H1Y C23   C24   sing Y N 3   
A1H1Y C22   C21   sing Y N 4   
A1H1Y C24   C19   doub Y N 5   
A1H1Y C21   CL1   sing N N 6   
A1H1Y C21   C20   doub Y N 7   
A1H1Y NAA   N3    doub Y N 8   
A1H1Y NAA   N2    sing Y N 9   
A1H1Y C19   C20   sing Y N 10  
A1H1Y C19   N1    sing N N 11  
A1H1Y OP3   C1    sing N N 12  
A1H1Y OP3   C2    sing N N 13  
A1H1Y N3    C4    sing Y N 14  
A1H1Y C3    N2    sing N N 15  
A1H1Y C3    C2    sing N N 16  
A1H1Y C3    "C1'" sing N N 17  
A1H1Y N2    C11   sing Y N 18  
A1H1Y C12   C2    sing N N 19  
A1H1Y C12   C6    sing N N 20  
A1H1Y C12   "O2'" sing N N 21  
A1H1Y C15   C14   sing N N 22  
A1H1Y C15   C16   sing N N 23  
A1H1Y N1    C6    sing N N 24  
A1H1Y N1    C14   sing N N 25  
A1H1Y C6    O6    doub N N 26  
A1H1Y "C2'" "C1'" sing N N 27  
A1H1Y "C2'" "O2'" sing N N 28  
A1H1Y "C2'" "C3'" sing N N 29  
A1H1Y C4    C11   doub Y N 30  
A1H1Y C4    C5    sing N N 31  
A1H1Y C8    C5    doub Y N 32  
A1H1Y C8    C7    sing Y N 33  
A1H1Y "C1'" "O4'" sing N N 34  
A1H1Y F1    C7    sing N N 35  
A1H1Y C14   "C5'" sing N N 36  
A1H1Y C16   C17   sing N N 37  
A1H1Y "O3'" "C3'" sing N N 38  
A1H1Y C5    CAA   sing Y N 39  
A1H1Y C7    C10   doub Y N 40  
A1H1Y "C5'" C17   sing N N 41  
A1H1Y "C5'" "O5'" sing N N 42  
A1H1Y CAA   C9    doub Y N 43  
A1H1Y C10   C9    sing Y N 44  
A1H1Y C10   F3    sing N N 45  
A1H1Y C9    F2    sing N N 46  
A1H1Y C8    H6    sing N N 47  
A1H1Y C15   H12   sing N N 48  
A1H1Y C15   H11   sing N N 49  
A1H1Y C17   H15   sing N N 50  
A1H1Y C17   H16   sing N N 51  
A1H1Y C20   H19   sing N N 52  
A1H1Y C22   H20   sing N N 53  
A1H1Y C24   H21   sing N N 54  
A1H1Y C1    H2    sing N N 55  
A1H1Y C1    H3    sing N N 56  
A1H1Y C1    H1    sing N N 57  
A1H1Y C2    H4    sing N N 58  
A1H1Y C3    H5    sing N N 59  
A1H1Y CAA   H7    sing N N 60  
A1H1Y C11   H8    sing N N 61  
A1H1Y C12   H9    sing N N 62  
A1H1Y C14   H10   sing N N 63  
A1H1Y C16   H13   sing N N 64  
A1H1Y C16   H14   sing N N 65  
A1H1Y "C5'" H17   sing N N 66  
A1H1Y "O5'" H18   sing N N 67  
A1H1Y "C2'" H22   sing N N 68  
A1H1Y "C3'" H23   sing N N 69  
A1H1Y "C3'" H24   sing N N 70  
A1H1Y "O3'" H25   sing N N 71  
A1H1Y "C1'" H26   sing N N 72  
A1H1Y "O4'" H27   sing N N 73  
ALA   N     CA    sing N N 74  
ALA   N     H     sing N N 75  
ALA   N     H2    sing N N 76  
ALA   CA    C     sing N N 77  
ALA   CA    CB    sing N N 78  
ALA   CA    HA    sing N N 79  
ALA   C     O     doub N N 80  
ALA   C     OXT   sing N N 81  
ALA   CB    HB1   sing N N 82  
ALA   CB    HB2   sing N N 83  
ALA   CB    HB3   sing N N 84  
ALA   OXT   HXT   sing N N 85  
ARG   N     CA    sing N N 86  
ARG   N     H     sing N N 87  
ARG   N     H2    sing N N 88  
ARG   CA    C     sing N N 89  
ARG   CA    CB    sing N N 90  
ARG   CA    HA    sing N N 91  
ARG   C     O     doub N N 92  
ARG   C     OXT   sing N N 93  
ARG   CB    CG    sing N N 94  
ARG   CB    HB2   sing N N 95  
ARG   CB    HB3   sing N N 96  
ARG   CG    CD    sing N N 97  
ARG   CG    HG2   sing N N 98  
ARG   CG    HG3   sing N N 99  
ARG   CD    NE    sing N N 100 
ARG   CD    HD2   sing N N 101 
ARG   CD    HD3   sing N N 102 
ARG   NE    CZ    sing N N 103 
ARG   NE    HE    sing N N 104 
ARG   CZ    NH1   sing N N 105 
ARG   CZ    NH2   doub N N 106 
ARG   NH1   HH11  sing N N 107 
ARG   NH1   HH12  sing N N 108 
ARG   NH2   HH21  sing N N 109 
ARG   NH2   HH22  sing N N 110 
ARG   OXT   HXT   sing N N 111 
ASN   N     CA    sing N N 112 
ASN   N     H     sing N N 113 
ASN   N     H2    sing N N 114 
ASN   CA    C     sing N N 115 
ASN   CA    CB    sing N N 116 
ASN   CA    HA    sing N N 117 
ASN   C     O     doub N N 118 
ASN   C     OXT   sing N N 119 
ASN   CB    CG    sing N N 120 
ASN   CB    HB2   sing N N 121 
ASN   CB    HB3   sing N N 122 
ASN   CG    OD1   doub N N 123 
ASN   CG    ND2   sing N N 124 
ASN   ND2   HD21  sing N N 125 
ASN   ND2   HD22  sing N N 126 
ASN   OXT   HXT   sing N N 127 
ASP   N     CA    sing N N 128 
ASP   N     H     sing N N 129 
ASP   N     H2    sing N N 130 
ASP   CA    C     sing N N 131 
ASP   CA    CB    sing N N 132 
ASP   CA    HA    sing N N 133 
ASP   C     O     doub N N 134 
ASP   C     OXT   sing N N 135 
ASP   CB    CG    sing N N 136 
ASP   CB    HB2   sing N N 137 
ASP   CB    HB3   sing N N 138 
ASP   CG    OD1   doub N N 139 
ASP   CG    OD2   sing N N 140 
ASP   OD2   HD2   sing N N 141 
ASP   OXT   HXT   sing N N 142 
CYS   N     CA    sing N N 143 
CYS   N     H     sing N N 144 
CYS   N     H2    sing N N 145 
CYS   CA    C     sing N N 146 
CYS   CA    CB    sing N N 147 
CYS   CA    HA    sing N N 148 
CYS   C     O     doub N N 149 
CYS   C     OXT   sing N N 150 
CYS   CB    SG    sing N N 151 
CYS   CB    HB2   sing N N 152 
CYS   CB    HB3   sing N N 153 
CYS   SG    HG    sing N N 154 
CYS   OXT   HXT   sing N N 155 
GLN   N     CA    sing N N 156 
GLN   N     H     sing N N 157 
GLN   N     H2    sing N N 158 
GLN   CA    C     sing N N 159 
GLN   CA    CB    sing N N 160 
GLN   CA    HA    sing N N 161 
GLN   C     O     doub N N 162 
GLN   C     OXT   sing N N 163 
GLN   CB    CG    sing N N 164 
GLN   CB    HB2   sing N N 165 
GLN   CB    HB3   sing N N 166 
GLN   CG    CD    sing N N 167 
GLN   CG    HG2   sing N N 168 
GLN   CG    HG3   sing N N 169 
GLN   CD    OE1   doub N N 170 
GLN   CD    NE2   sing N N 171 
GLN   NE2   HE21  sing N N 172 
GLN   NE2   HE22  sing N N 173 
GLN   OXT   HXT   sing N N 174 
GLU   N     CA    sing N N 175 
GLU   N     H     sing N N 176 
GLU   N     H2    sing N N 177 
GLU   CA    C     sing N N 178 
GLU   CA    CB    sing N N 179 
GLU   CA    HA    sing N N 180 
GLU   C     O     doub N N 181 
GLU   C     OXT   sing N N 182 
GLU   CB    CG    sing N N 183 
GLU   CB    HB2   sing N N 184 
GLU   CB    HB3   sing N N 185 
GLU   CG    CD    sing N N 186 
GLU   CG    HG2   sing N N 187 
GLU   CG    HG3   sing N N 188 
GLU   CD    OE1   doub N N 189 
GLU   CD    OE2   sing N N 190 
GLU   OE2   HE2   sing N N 191 
GLU   OXT   HXT   sing N N 192 
GLY   N     CA    sing N N 193 
GLY   N     H     sing N N 194 
GLY   N     H2    sing N N 195 
GLY   CA    C     sing N N 196 
GLY   CA    HA2   sing N N 197 
GLY   CA    HA3   sing N N 198 
GLY   C     O     doub N N 199 
GLY   C     OXT   sing N N 200 
GLY   OXT   HXT   sing N N 201 
HIS   N     CA    sing N N 202 
HIS   N     H     sing N N 203 
HIS   N     H2    sing N N 204 
HIS   CA    C     sing N N 205 
HIS   CA    CB    sing N N 206 
HIS   CA    HA    sing N N 207 
HIS   C     O     doub N N 208 
HIS   C     OXT   sing N N 209 
HIS   CB    CG    sing N N 210 
HIS   CB    HB2   sing N N 211 
HIS   CB    HB3   sing N N 212 
HIS   CG    ND1   sing Y N 213 
HIS   CG    CD2   doub Y N 214 
HIS   ND1   CE1   doub Y N 215 
HIS   ND1   HD1   sing N N 216 
HIS   CD2   NE2   sing Y N 217 
HIS   CD2   HD2   sing N N 218 
HIS   CE1   NE2   sing Y N 219 
HIS   CE1   HE1   sing N N 220 
HIS   NE2   HE2   sing N N 221 
HIS   OXT   HXT   sing N N 222 
HOH   O     H1    sing N N 223 
HOH   O     H2    sing N N 224 
ILE   N     CA    sing N N 225 
ILE   N     H     sing N N 226 
ILE   N     H2    sing N N 227 
ILE   CA    C     sing N N 228 
ILE   CA    CB    sing N N 229 
ILE   CA    HA    sing N N 230 
ILE   C     O     doub N N 231 
ILE   C     OXT   sing N N 232 
ILE   CB    CG1   sing N N 233 
ILE   CB    CG2   sing N N 234 
ILE   CB    HB    sing N N 235 
ILE   CG1   CD1   sing N N 236 
ILE   CG1   HG12  sing N N 237 
ILE   CG1   HG13  sing N N 238 
ILE   CG2   HG21  sing N N 239 
ILE   CG2   HG22  sing N N 240 
ILE   CG2   HG23  sing N N 241 
ILE   CD1   HD11  sing N N 242 
ILE   CD1   HD12  sing N N 243 
ILE   CD1   HD13  sing N N 244 
ILE   OXT   HXT   sing N N 245 
LEU   N     CA    sing N N 246 
LEU   N     H     sing N N 247 
LEU   N     H2    sing N N 248 
LEU   CA    C     sing N N 249 
LEU   CA    CB    sing N N 250 
LEU   CA    HA    sing N N 251 
LEU   C     O     doub N N 252 
LEU   C     OXT   sing N N 253 
LEU   CB    CG    sing N N 254 
LEU   CB    HB2   sing N N 255 
LEU   CB    HB3   sing N N 256 
LEU   CG    CD1   sing N N 257 
LEU   CG    CD2   sing N N 258 
LEU   CG    HG    sing N N 259 
LEU   CD1   HD11  sing N N 260 
LEU   CD1   HD12  sing N N 261 
LEU   CD1   HD13  sing N N 262 
LEU   CD2   HD21  sing N N 263 
LEU   CD2   HD22  sing N N 264 
LEU   CD2   HD23  sing N N 265 
LEU   OXT   HXT   sing N N 266 
LYS   N     CA    sing N N 267 
LYS   N     H     sing N N 268 
LYS   N     H2    sing N N 269 
LYS   CA    C     sing N N 270 
LYS   CA    CB    sing N N 271 
LYS   CA    HA    sing N N 272 
LYS   C     O     doub N N 273 
LYS   C     OXT   sing N N 274 
LYS   CB    CG    sing N N 275 
LYS   CB    HB2   sing N N 276 
LYS   CB    HB3   sing N N 277 
LYS   CG    CD    sing N N 278 
LYS   CG    HG2   sing N N 279 
LYS   CG    HG3   sing N N 280 
LYS   CD    CE    sing N N 281 
LYS   CD    HD2   sing N N 282 
LYS   CD    HD3   sing N N 283 
LYS   CE    NZ    sing N N 284 
LYS   CE    HE2   sing N N 285 
LYS   CE    HE3   sing N N 286 
LYS   NZ    HZ1   sing N N 287 
LYS   NZ    HZ2   sing N N 288 
LYS   NZ    HZ3   sing N N 289 
LYS   OXT   HXT   sing N N 290 
MET   N     CA    sing N N 291 
MET   N     H     sing N N 292 
MET   N     H2    sing N N 293 
MET   CA    C     sing N N 294 
MET   CA    CB    sing N N 295 
MET   CA    HA    sing N N 296 
MET   C     O     doub N N 297 
MET   C     OXT   sing N N 298 
MET   CB    CG    sing N N 299 
MET   CB    HB2   sing N N 300 
MET   CB    HB3   sing N N 301 
MET   CG    SD    sing N N 302 
MET   CG    HG2   sing N N 303 
MET   CG    HG3   sing N N 304 
MET   SD    CE    sing N N 305 
MET   CE    HE1   sing N N 306 
MET   CE    HE2   sing N N 307 
MET   CE    HE3   sing N N 308 
MET   OXT   HXT   sing N N 309 
PHE   N     CA    sing N N 310 
PHE   N     H     sing N N 311 
PHE   N     H2    sing N N 312 
PHE   CA    C     sing N N 313 
PHE   CA    CB    sing N N 314 
PHE   CA    HA    sing N N 315 
PHE   C     O     doub N N 316 
PHE   C     OXT   sing N N 317 
PHE   CB    CG    sing N N 318 
PHE   CB    HB2   sing N N 319 
PHE   CB    HB3   sing N N 320 
PHE   CG    CD1   doub Y N 321 
PHE   CG    CD2   sing Y N 322 
PHE   CD1   CE1   sing Y N 323 
PHE   CD1   HD1   sing N N 324 
PHE   CD2   CE2   doub Y N 325 
PHE   CD2   HD2   sing N N 326 
PHE   CE1   CZ    doub Y N 327 
PHE   CE1   HE1   sing N N 328 
PHE   CE2   CZ    sing Y N 329 
PHE   CE2   HE2   sing N N 330 
PHE   CZ    HZ    sing N N 331 
PHE   OXT   HXT   sing N N 332 
PRO   N     CA    sing N N 333 
PRO   N     CD    sing N N 334 
PRO   N     H     sing N N 335 
PRO   CA    C     sing N N 336 
PRO   CA    CB    sing N N 337 
PRO   CA    HA    sing N N 338 
PRO   C     O     doub N N 339 
PRO   C     OXT   sing N N 340 
PRO   CB    CG    sing N N 341 
PRO   CB    HB2   sing N N 342 
PRO   CB    HB3   sing N N 343 
PRO   CG    CD    sing N N 344 
PRO   CG    HG2   sing N N 345 
PRO   CG    HG3   sing N N 346 
PRO   CD    HD2   sing N N 347 
PRO   CD    HD3   sing N N 348 
PRO   OXT   HXT   sing N N 349 
SCN   S     C     sing N N 350 
SCN   C     N     trip N N 351 
SER   N     CA    sing N N 352 
SER   N     H     sing N N 353 
SER   N     H2    sing N N 354 
SER   CA    C     sing N N 355 
SER   CA    CB    sing N N 356 
SER   CA    HA    sing N N 357 
SER   C     O     doub N N 358 
SER   C     OXT   sing N N 359 
SER   CB    OG    sing N N 360 
SER   CB    HB2   sing N N 361 
SER   CB    HB3   sing N N 362 
SER   OG    HG    sing N N 363 
SER   OXT   HXT   sing N N 364 
THR   N     CA    sing N N 365 
THR   N     H     sing N N 366 
THR   N     H2    sing N N 367 
THR   CA    C     sing N N 368 
THR   CA    CB    sing N N 369 
THR   CA    HA    sing N N 370 
THR   C     O     doub N N 371 
THR   C     OXT   sing N N 372 
THR   CB    OG1   sing N N 373 
THR   CB    CG2   sing N N 374 
THR   CB    HB    sing N N 375 
THR   OG1   HG1   sing N N 376 
THR   CG2   HG21  sing N N 377 
THR   CG2   HG22  sing N N 378 
THR   CG2   HG23  sing N N 379 
THR   OXT   HXT   sing N N 380 
TRP   N     CA    sing N N 381 
TRP   N     H     sing N N 382 
TRP   N     H2    sing N N 383 
TRP   CA    C     sing N N 384 
TRP   CA    CB    sing N N 385 
TRP   CA    HA    sing N N 386 
TRP   C     O     doub N N 387 
TRP   C     OXT   sing N N 388 
TRP   CB    CG    sing N N 389 
TRP   CB    HB2   sing N N 390 
TRP   CB    HB3   sing N N 391 
TRP   CG    CD1   doub Y N 392 
TRP   CG    CD2   sing Y N 393 
TRP   CD1   NE1   sing Y N 394 
TRP   CD1   HD1   sing N N 395 
TRP   CD2   CE2   doub Y N 396 
TRP   CD2   CE3   sing Y N 397 
TRP   NE1   CE2   sing Y N 398 
TRP   NE1   HE1   sing N N 399 
TRP   CE2   CZ2   sing Y N 400 
TRP   CE3   CZ3   doub Y N 401 
TRP   CE3   HE3   sing N N 402 
TRP   CZ2   CH2   doub Y N 403 
TRP   CZ2   HZ2   sing N N 404 
TRP   CZ3   CH2   sing Y N 405 
TRP   CZ3   HZ3   sing N N 406 
TRP   CH2   HH2   sing N N 407 
TRP   OXT   HXT   sing N N 408 
TYR   N     CA    sing N N 409 
TYR   N     H     sing N N 410 
TYR   N     H2    sing N N 411 
TYR   CA    C     sing N N 412 
TYR   CA    CB    sing N N 413 
TYR   CA    HA    sing N N 414 
TYR   C     O     doub N N 415 
TYR   C     OXT   sing N N 416 
TYR   CB    CG    sing N N 417 
TYR   CB    HB2   sing N N 418 
TYR   CB    HB3   sing N N 419 
TYR   CG    CD1   doub Y N 420 
TYR   CG    CD2   sing Y N 421 
TYR   CD1   CE1   sing Y N 422 
TYR   CD1   HD1   sing N N 423 
TYR   CD2   CE2   doub Y N 424 
TYR   CD2   HD2   sing N N 425 
TYR   CE1   CZ    doub Y N 426 
TYR   CE1   HE1   sing N N 427 
TYR   CE2   CZ    sing Y N 428 
TYR   CE2   HE2   sing N N 429 
TYR   CZ    OH    sing N N 430 
TYR   OH    HH    sing N N 431 
TYR   OXT   HXT   sing N N 432 
VAL   N     CA    sing N N 433 
VAL   N     H     sing N N 434 
VAL   N     H2    sing N N 435 
VAL   CA    C     sing N N 436 
VAL   CA    CB    sing N N 437 
VAL   CA    HA    sing N N 438 
VAL   C     O     doub N N 439 
VAL   C     OXT   sing N N 440 
VAL   CB    CG1   sing N N 441 
VAL   CB    CG2   sing N N 442 
VAL   CB    HB    sing N N 443 
VAL   CG1   HG11  sing N N 444 
VAL   CG1   HG12  sing N N 445 
VAL   CG1   HG13  sing N N 446 
VAL   CG2   HG21  sing N N 447 
VAL   CG2   HG22  sing N N 448 
VAL   CG2   HG23  sing N N 449 
VAL   OXT   HXT   sing N N 450 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      PDB 
_pdbx_initial_refinement_model.accession_code   2nn8 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    8RMU 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.028994 
_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]   0.017319 
_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]   0.016252 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C  6  6  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651 51.6512 0.2156   
CL 17 17 11.4601 0.0104  7.1962 1.1662  6.2554 18.5194 1.6455 47.7784 -9.3378  
F  9  9  3.5395  10.2825 2.6414 4.2944  1.5171 0.2615  1.0244 26.1476 0.3057   
H  1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030   
N  7  7  12.2220 0.0057  3.1346 9.8933  2.0141 28.9975 1.1672 0.5826  -11.5379 
O  8  8  3.0487  13.2771 2.2870 5.7011  1.5464 0.3239  0.8671 32.9089 0.2508   
S  16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 1.0555   
# 
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_site.calc_flag 
ATOM   1    N  N     . PRO   A 1 2   ? 6.234   2.796   10.399  1.000 34.301 0 113 PRO   A N     1 ? 
ATOM   2    C  CA    . PRO   A 1 2   ? 5.709   3.980   9.717   1.000 31.048 0 113 PRO   A CA    1 ? 
ATOM   3    C  C     . PRO   A 1 2   ? 5.823   3.964   8.190   1.000 26.771 0 113 PRO   A C     1 ? 
ATOM   4    O  O     . PRO   A 1 2   ? 6.922   3.991   7.648   1.000 26.987 0 113 PRO   A O     1 ? 
ATOM   5    C  CB    . PRO   A 1 2   ? 6.548   5.091   10.357  1.000 32.695 0 113 PRO   A CB    1 ? 
ATOM   6    C  CG    . PRO   A 1 2   ? 6.675   4.650   11.799  1.000 35.219 0 113 PRO   A CG    1 ? 
ATOM   7    C  CD    . PRO   A 1 2   ? 6.637   3.127   11.763  1.000 34.830 0 113 PRO   A CD    1 ? 
ATOM   8    H  H     . PRO   A 1 2   ? 6.288   2.015   10.042  1.000 33.720 0 113 PRO   A H     1 c 
ATOM   9    H  HA    . PRO   A 1 2   ? 4.763   4.094   9.976   1.000 30.838 0 113 PRO   A HA    1 c 
ATOM   10   H  HB2   . PRO   A 1 2   ? 7.429   5.163   9.927   1.000 32.579 0 113 PRO   A HB2   1 c 
ATOM   11   H  HB3   . PRO   A 1 2   ? 6.088   5.961   10.293  1.000 32.757 0 113 PRO   A HB3   1 c 
ATOM   12   H  HG2   . PRO   A 1 2   ? 7.519   4.965   12.185  1.000 34.793 0 113 PRO   A HG2   1 c 
ATOM   13   H  HG3   . PRO   A 1 2   ? 5.934   5.000   12.336  1.000 34.987 0 113 PRO   A HG3   1 c 
ATOM   14   H  HD2   . PRO   A 1 2   ? 7.522   2.751   11.968  1.000 34.856 0 113 PRO   A HD2   1 c 
ATOM   15   H  HD3   . PRO   A 1 2   ? 5.988   2.779   12.414  1.000 34.819 0 113 PRO   A HD3   1 c 
ATOM   16   N  N     . LEU   A 1 3   ? 4.658   3.966   7.533   1.000 23.150 0 114 LEU   A N     1 ? 
ATOM   17   C  CA    . LEU   A 1 3   ? 4.521   3.708   6.107   1.000 22.635 0 114 LEU   A CA    1 ? 
ATOM   18   C  C     . LEU   A 1 3   ? 3.899   4.929   5.434   1.000 23.970 0 114 LEU   A C     1 ? 
ATOM   19   O  O     . LEU   A 1 3   ? 3.280   5.749   6.105   1.000 28.012 0 114 LEU   A O     1 ? 
ATOM   20   C  CB    . LEU   A 1 3   ? 3.628   2.478   5.955   1.000 23.472 0 114 LEU   A CB    1 ? 
ATOM   21   C  CG    . LEU   A 1 3   ? 4.052   1.231   6.738   1.000 24.712 0 114 LEU   A CG    1 ? 
ATOM   22   C  CD1   . LEU   A 1 3   ? 2.955   0.179   6.679   1.000 25.007 0 114 LEU   A CD1   1 ? 
ATOM   23   C  CD2   . LEU   A 1 3   ? 5.357   0.675   6.195   1.000 27.270 0 114 LEU   A CD2   1 ? 
ATOM   24   H  H     . LEU   A 1 3   ? 3.899   4.143   8.009   1.000 23.559 0 114 LEU   A H     1 c 
ATOM   25   H  HA    . LEU   A 1 3   ? 5.414   3.530   5.716   1.000 23.039 0 114 LEU   A HA    1 c 
ATOM   26   H  HB2   . LEU   A 1 3   ? 2.717   2.724   6.234   1.000 23.502 0 114 LEU   A HB2   1 c 
ATOM   27   H  HB3   . LEU   A 1 3   ? 3.589   2.244   4.998   1.000 23.599 0 114 LEU   A HB3   1 c 
ATOM   28   H  HG    . LEU   A 1 3   ? 4.190   1.486   7.686   1.000 24.719 0 114 LEU   A HG    1 c 
ATOM   29   H  HD11  . LEU   A 1 3   ? 2.138   0.539   7.062   1.000 24.979 0 114 LEU   A HD11  1 c 
ATOM   30   H  HD12  . LEU   A 1 3   ? 3.230   -0.606  7.183   1.000 24.951 0 114 LEU   A HD12  1 c 
ATOM   31   H  HD13  . LEU   A 1 3   ? 2.796   -0.072  5.754   1.000 24.957 0 114 LEU   A HD13  1 c 
ATOM   32   H  HD21  . LEU   A 1 3   ? 6.059   1.341   6.288   1.000 26.699 0 114 LEU   A HD21  1 c 
ATOM   33   H  HD22  . LEU   A 1 3   ? 5.249   0.449   5.256   1.000 26.965 0 114 LEU   A HD22  1 c 
ATOM   34   H  HD23  . LEU   A 1 3   ? 5.603   -0.123  6.693   1.000 26.740 0 114 LEU   A HD23  1 c 
ATOM   35   N  N     . ILE   A 1 4   ? 4.062   5.044   4.114   1.000 24.462 0 115 ILE   A N     1 ? 
ATOM   36   C  CA    . ILE   A 1 4   ? 3.486   6.158   3.373   1.000 26.265 0 115 ILE   A CA    1 ? 
ATOM   37   C  C     . ILE   A 1 4   ? 2.054   5.813   2.970   1.000 24.059 0 115 ILE   A C     1 ? 
ATOM   38   O  O     . ILE   A 1 4   ? 1.769   4.676   2.599   1.000 26.480 0 115 ILE   A O     1 ? 
ATOM   39   C  CB    . ILE   A 1 4   ? 4.344   6.504   2.143   1.000 28.024 0 115 ILE   A CB    1 ? 
ATOM   40   H  H     . ILE   A 1 4   ? 4.546   4.415   3.661   1.000 24.783 0 115 ILE   A H     1 c 
ATOM   41   H  HA    . ILE   A 1 4   ? 3.464   6.940   3.959   1.000 25.998 0 115 ILE   A HA    1 c 
ATOM   42   H  HB    . ILE   A 1 4   ? 3.875   7.323   1.701   0.000 30.000 0 115 ILE   A HB    1 c 
ATOM   43   N  N     A VAL   A 1 5   ? 1.175   6.817   3.062   0.500 23.168 0 116 VAL   A N     1 ? 
ATOM   44   N  N     B VAL   A 1 5   ? 1.158   6.803   3.068   0.500 23.632 0 116 VAL   A N     1 ? 
ATOM   45   C  CA    A VAL   A 1 5   ? -0.206  6.740   2.606   0.500 21.416 0 116 VAL   A CA    1 ? 
ATOM   46   C  CA    B VAL   A 1 5   ? -0.211  6.662   2.587   0.500 22.084 0 116 VAL   A CA    1 ? 
ATOM   47   C  C     A VAL   A 1 5   ? -0.312  7.542   1.312   0.500 21.235 0 116 VAL   A C     1 ? 
ATOM   48   C  C     B VAL   A 1 5   ? -0.348  7.537   1.341   0.500 21.879 0 116 VAL   A C     1 ? 
ATOM   49   O  O     A VAL   A 1 5   ? 0.356   8.565   1.178   0.500 22.095 0 116 VAL   A O     1 ? 
ATOM   50   O  O     B VAL   A 1 5   ? 0.251   8.608   1.281   0.500 23.189 0 116 VAL   A O     1 ? 
ATOM   51   C  CB    A VAL   A 1 5   ? -1.137  7.274   3.714   0.500 21.794 0 116 VAL   A CB    1 ? 
ATOM   52   C  CB    B VAL   A 1 5   ? -1.250  7.002   3.679   0.500 23.036 0 116 VAL   A CB    1 ? 
ATOM   53   C  CG1   A VAL   A 1 5   ? -2.570  7.481   3.250   0.500 21.713 0 116 VAL   A CG1   1 ? 
ATOM   54   C  CG1   B VAL   A 1 5   ? -0.689  6.746   5.072   0.500 23.293 0 116 VAL   A CG1   1 ? 
ATOM   55   C  CG2   A VAL   A 1 5   ? -1.128  6.360   4.928   0.500 22.185 0 116 VAL   A CG2   1 ? 
ATOM   56   C  CG2   B VAL   A 1 5   ? -1.771  8.431   3.604   0.500 22.927 0 116 VAL   A CG2   1 ? 
ATOM   57   H  HA    A VAL   A 1 5   ? -0.428  5.809   2.430   0.500 21.678 0 116 VAL   A HA    1 c 
ATOM   58   H  HA    B VAL   A 1 5   ? -0.345  5.734   2.330   0.500 22.364 0 116 VAL   A HA    1 c 
ATOM   59   H  HB    A VAL   A 1 5   ? -0.782  8.151   3.993   0.500 21.779 0 116 VAL   A HB    1 c 
ATOM   60   H  HB    B VAL   A 1 5   ? -2.017  6.397   3.548   0.500 22.926 0 116 VAL   A HB    1 c 
ATOM   61   H  HG11  A VAL   A 1 5   ? -2.957  6.624   3.008   0.500 21.683 0 116 VAL   A HG11  1 c 
ATOM   62   H  HG11  B VAL   A 1 5   ? 0.094   7.304   5.214   0.500 23.242 0 116 VAL   A HG11  1 c 
ATOM   63   H  HG12  A VAL   A 1 5   ? -2.580  8.072   2.479   0.500 21.755 0 116 VAL   A HG12  1 c 
ATOM   64   H  HG12  B VAL   A 1 5   ? -0.437  5.811   5.154   0.500 23.244 0 116 VAL   A HG12  1 c 
ATOM   65   H  HG13  A VAL   A 1 5   ? -3.090  7.878   3.969   0.500 21.769 0 116 VAL   A HG13  1 c 
ATOM   66   H  HG13  B VAL   A 1 5   ? -1.363  6.959   5.738   0.500 23.247 0 116 VAL   A HG13  1 c 
ATOM   67   H  HG21  A VAL   A 1 5   ? -1.720  6.720   5.609   0.500 22.087 0 116 VAL   A HG21  1 c 
ATOM   68   H  HG21  B VAL   A 1 5   ? -2.402  8.584   4.328   0.500 22.933 0 116 VAL   A HG21  1 c 
ATOM   69   H  HG22  A VAL   A 1 5   ? -0.225  6.300   5.284   0.500 22.111 0 116 VAL   A HG22  1 c 
ATOM   70   H  HG22  B VAL   A 1 5   ? -2.218  8.570   2.752   0.500 22.920 0 116 VAL   A HG22  1 c 
ATOM   71   H  HG23  A VAL   A 1 5   ? -1.433  5.474   4.670   0.500 22.132 0 116 VAL   A HG23  1 c 
ATOM   72   H  HG23  B VAL   A 1 5   ? -1.030  9.054   3.685   0.500 22.965 0 116 VAL   A HG23  1 c 
ATOM   73   N  N     . PRO   A 1 6   ? -1.104  7.119   0.298   1.000 20.757 0 117 PRO   A N     1 ? 
ATOM   74   C  CA    . PRO   A 1 6   ? -1.868  5.870   0.325   1.000 20.051 0 117 PRO   A CA    1 ? 
ATOM   75   C  C     . PRO   A 1 6   ? -1.008  4.615   0.256   1.000 18.908 0 117 PRO   A C     1 ? 
ATOM   76   O  O     . PRO   A 1 6   ? 0.086   4.619   -0.302  1.000 20.151 0 117 PRO   A O     1 ? 
ATOM   77   C  CB    . PRO   A 1 6   ? -2.799  5.982   -0.896  1.000 21.655 0 117 PRO   A CB    1 ? 
ATOM   78   C  CG    . PRO   A 1 6   ? -2.067  6.906   -1.833  1.000 22.874 0 117 PRO   A CG    1 ? 
ATOM   79   C  CD    . PRO   A 1 6   ? -1.284  7.862   -0.952  1.000 21.325 0 117 PRO   A CD    1 ? 
ATOM   80   H  HA    . PRO   A 1 6   ? -2.414  5.850   1.144   1.000 20.183 0 117 PRO   A HA    1 c 
ATOM   81   H  HB2   . PRO   A 1 6   ? -2.942  5.099   -1.313  1.000 21.552 0 117 PRO   A HB2   1 c 
ATOM   82   H  HB3   . PRO   A 1 6   ? -3.672  6.360   -0.639  1.000 21.537 0 117 PRO   A HB3   1 c 
ATOM   83   H  HG2   . PRO   A 1 6   ? -1.461  6.400   -2.414  1.000 22.486 0 117 PRO   A HG2   1 c 
ATOM   84   H  HG3   . PRO   A 1 6   ? -2.700  7.399   -2.395  1.000 22.419 0 117 PRO   A HG3   1 c 
ATOM   85   H  HD2   . PRO   A 1 6   ? -0.417  8.083   -1.360  1.000 21.552 0 117 PRO   A HD2   1 c 
ATOM   86   H  HD3   . PRO   A 1 6   ? -1.788  8.692   -0.801  1.000 21.577 0 117 PRO   A HD3   1 c 
ATOM   87   N  N     . TYR   A 1 7   ? -1.557  3.540   0.814   1.000 18.154 0 118 TYR   A N     1 ? 
ATOM   88   C  CA    . TYR   A 1 7   ? -0.868  2.274   0.972   1.000 18.591 0 118 TYR   A CA    1 ? 
ATOM   89   C  C     . TYR   A 1 7   ? -1.788  1.176   0.449   1.000 18.228 0 118 TYR   A C     1 ? 
ATOM   90   O  O     . TYR   A 1 7   ? -2.984  1.173   0.735   1.000 20.115 0 118 TYR   A O     1 ? 
ATOM   91   C  CB    . TYR   A 1 7   ? -0.525  2.080   2.457   1.000 19.515 0 118 TYR   A CB    1 ? 
ATOM   92   C  CG    . TYR   A 1 7   ? 0.339   0.864   2.754   1.000 20.671 0 118 TYR   A CG    1 ? 
ATOM   93   C  CD1   . TYR   A 1 7   ? 1.721   0.940   2.664   1.000 22.609 0 118 TYR   A CD1   1 ? 
ATOM   94   C  CD2   . TYR   A 1 7   ? -0.223  -0.360  3.107   1.000 20.581 0 118 TYR   A CD2   1 ? 
ATOM   95   C  CE1   . TYR   A 1 7   ? 2.521   -0.166  2.895   1.000 24.648 0 118 TYR   A CE1   1 ? 
ATOM   96   C  CE2   . TYR   A 1 7   ? 0.565   -1.476  3.338   1.000 22.525 0 118 TYR   A CE2   1 ? 
ATOM   97   C  CZ    . TYR   A 1 7   ? 1.943   -1.376  3.237   1.000 24.557 0 118 TYR   A CZ    1 ? 
ATOM   98   O  OH    . TYR   A 1 7   ? 2.753   -2.452  3.457   1.000 28.575 0 118 TYR   A OH    1 ? 
ATOM   99   H  H     . TYR   A 1 7   ? -2.417  3.601   1.115   1.000 18.384 0 118 TYR   A H     1 c 
ATOM   100  H  HA    . TYR   A 1 7   ? -0.030  2.287   0.442   1.000 18.527 0 118 TYR   A HA    1 c 
ATOM   101  H  HB2   . TYR   A 1 7   ? -0.062  2.884   2.777   1.000 19.565 0 118 TYR   A HB2   1 c 
ATOM   102  H  HB3   . TYR   A 1 7   ? -1.366  2.000   2.961   1.000 19.557 0 118 TYR   A HB3   1 c 
ATOM   103  H  HD1   . TYR   A 1 7   ? 2.124   1.757   2.418   1.000 22.479 0 118 TYR   A HD1   1 c 
ATOM   104  H  HD2   . TYR   A 1 7   ? -1.162  -0.438  3.165   1.000 20.973 0 118 TYR   A HD2   1 c 
ATOM   105  H  HE1   . TYR   A 1 7   ? 3.458   -0.095  2.824   1.000 24.140 0 118 TYR   A HE1   1 c 
ATOM   106  H  HE2   . TYR   A 1 7   ? 0.167   -2.297  3.572   1.000 22.425 0 118 TYR   A HE2   1 c 
ATOM   107  H  HH    . TYR   A 1 7   ? 2.984   -2.488  4.251   0.000 33.049 0 118 TYR   A HH    1 c 
ATOM   108  N  N     A ASN   A 1 8   ? -1.258  0.227   -0.326  0.500 19.830 0 119 ASN   A N     1 ? 
ATOM   109  N  N     B ASN   A 1 8   ? -1.180  0.237   -0.272  0.500 19.129 0 119 ASN   A N     1 ? 
ATOM   110  C  CA    A ASN   A 1 8   ? -2.051  -0.931  -0.721  0.500 20.453 0 119 ASN   A CA    1 ? 
ATOM   111  C  CA    B ASN   A 1 8   ? -1.849  -0.968  -0.722  0.500 19.629 0 119 ASN   A CA    1 ? 
ATOM   112  C  C     A ASN   A 1 8   ? -1.399  -2.190  -0.139  0.500 20.295 0 119 ASN   A C     1 ? 
ATOM   113  C  C     B ASN   A 1 8   ? -1.274  -2.147  0.048   0.500 19.452 0 119 ASN   A C     1 ? 
ATOM   114  O  O     A ASN   A 1 8   ? -0.256  -2.507  -0.473  0.500 22.022 0 119 ASN   A O     1 ? 
ATOM   115  O  O     B ASN   A 1 8   ? -0.059  -2.356  0.050   0.500 20.432 0 119 ASN   A O     1 ? 
ATOM   116  C  CB    A ASN   A 1 8   ? -2.300  -0.971  -2.231  0.500 22.124 0 119 ASN   A CB    1 ? 
ATOM   117  C  CB    B ASN   A 1 8   ? -1.660  -1.192  -2.217  0.500 20.581 0 119 ASN   A CB    1 ? 
ATOM   118  C  CG    A ASN   A 1 8   ? -3.534  -0.194  -2.645  0.500 22.846 0 119 ASN   A CG    1 ? 
ATOM   119  C  CG    B ASN   A 1 8   ? -2.031  -2.601  -2.616  0.500 21.462 0 119 ASN   A CG    1 ? 
ATOM   120  O  OD1   A ASN   A 1 8   ? -4.605  -0.779  -2.859  0.500 22.781 0 119 ASN   A OD1   1 ? 
ATOM   121  O  OD1   B ASN   A 1 8   ? -1.188  -3.351  -3.121  0.500 24.743 0 119 ASN   A OD1   1 ? 
ATOM   122  N  ND2   A ASN   A 1 8   ? -3.431  1.125   -2.721  0.500 24.685 0 119 ASN   A ND2   1 ? 
ATOM   123  N  ND2   B ASN   A 1 8   ? -3.275  -2.983  -2.374  0.500 20.413 0 119 ASN   A ND2   1 ? 
ATOM   124  H  H     A ASN   A 1 8   ? -0.395  0.299   -0.616  0.500 19.573 0 119 ASN   A H     1 c 
ATOM   125  H  H     B ASN   A 1 8   ? -0.301  0.352   -0.494  0.500 18.986 0 119 ASN   A H     1 c 
ATOM   126  H  HA    A ASN   A 1 8   ? -2.931  -0.843  -0.298  0.500 20.491 0 119 ASN   A HA    1 c 
ATOM   127  H  HA    B ASN   A 1 8   ? -2.813  -0.891  -0.541  0.500 19.614 0 119 ASN   A HA    1 c 
ATOM   128  H  HB2   A ASN   A 1 8   ? -1.522  -0.600  -2.693  0.500 21.964 0 119 ASN   A HB2   1 c 
ATOM   129  H  HB2   B ASN   A 1 8   ? -2.218  -0.559  -2.712  0.500 20.566 0 119 ASN   A HB2   1 c 
ATOM   130  H  HB3   A ASN   A 1 8   ? -2.400  -1.902  -2.514  0.500 21.941 0 119 ASN   A HB3   1 c 
ATOM   131  H  HB3   B ASN   A 1 8   ? -0.726  -1.025  -2.453  0.500 20.534 0 119 ASN   A HB3   1 c 
ATOM   132  H  HD21  A ASN   A 1 8   ? -2.665  1.522   -2.516  0.500 24.218 0 119 ASN   A HD21  1 c 
ATOM   133  H  HD21  B ASN   A 1 8   ? -3.899  -2.377  -2.195  0.500 20.419 0 119 ASN   A HD21  1 c 
ATOM   134  H  HD22  A ASN   A 1 8   ? -4.130  1.609   -2.975  0.500 24.182 0 119 ASN   A HD22  1 c 
ATOM   135  H  HD22  B ASN   A 1 8   ? -3.479  -3.845  -2.387  0.500 20.399 0 119 ASN   A HD22  1 c 
ATOM   136  N  N     . LEU   A 1 9   ? -2.153  -2.876  0.738   1.000 19.605 0 120 LEU   A N     1 ? 
ATOM   137  C  CA    . LEU   A 1 9   ? -1.792  -4.149  1.340   1.000 19.352 0 120 LEU   A CA    1 ? 
ATOM   138  C  C     . LEU   A 1 9   ? -2.351  -5.272  0.466   1.000 18.900 0 120 LEU   A C     1 ? 
ATOM   139  O  O     . LEU   A 1 9   ? -3.566  -5.427  0.346   1.000 17.421 0 120 LEU   A O     1 ? 
ATOM   140  C  CB    . LEU   A 1 9   ? -2.364  -4.195  2.760   1.000 19.504 0 120 LEU   A CB    1 ? 
ATOM   141  C  CG    . LEU   A 1 9   ? -2.176  -5.502  3.544   1.000 20.608 0 120 LEU   A CG    1 ? 
ATOM   142  C  CD1   . LEU   A 1 9   ? -0.713  -5.725  3.894   1.000 22.250 0 120 LEU   A CD1   1 ? 
ATOM   143  C  CD2   . LEU   A 1 9   ? -3.042  -5.563  4.804   1.000 21.062 0 120 LEU   A CD2   1 ? 
ATOM   144  H  H     . LEU   A 1 9   ? -2.986  -2.545  0.914   1.000 19.586 0 120 LEU   A H     1 c 
ATOM   145  H  HA    . LEU   A 1 9   ? -0.807  -4.220  1.383   1.000 19.359 0 120 LEU   A HA    1 c 
ATOM   146  H  HB2   . LEU   A 1 9   ? -1.954  -3.464  3.277   1.000 19.639 0 120 LEU   A HB2   1 c 
ATOM   147  H  HB3   . LEU   A 1 9   ? -3.329  -4.006  2.706   1.000 19.621 0 120 LEU   A HB3   1 c 
ATOM   148  H  HG    . LEU   A 1 9   ? -2.457  -6.251  2.959   1.000 20.609 0 120 LEU   A HG    1 c 
ATOM   149  H  HD11  . LEU   A 1 9   ? -0.186  -5.772  3.079   1.000 21.944 0 120 LEU   A HD11  1 c 
ATOM   150  H  HD12  . LEU   A 1 9   ? -0.620  -6.557  4.388   1.000 21.955 0 120 LEU   A HD12  1 c 
ATOM   151  H  HD13  . LEU   A 1 9   ? -0.394  -4.987  4.442   1.000 21.986 0 120 LEU   A HD13  1 c 
ATOM   152  H  HD21  . LEU   A 1 9   ? -3.981  -5.505  4.556   1.000 21.031 0 120 LEU   A HD21  1 c 
ATOM   153  H  HD22  . LEU   A 1 9   ? -2.817  -4.822  5.390   1.000 20.971 0 120 LEU   A HD22  1 c 
ATOM   154  H  HD23  . LEU   A 1 9   ? -2.882  -6.402  5.268   1.000 21.006 0 120 LEU   A HD23  1 c 
ATOM   155  N  N     . PRO   A 1 10  ? -1.493  -6.108  -0.157  1.000 20.483 0 121 PRO   A N     1 ? 
ATOM   156  C  CA    . PRO   A 1 10  ? -1.977  -7.290  -0.864  1.000 20.117 0 121 PRO   A CA    1 ? 
ATOM   157  C  C     . PRO   A 1 10  ? -2.647  -8.271  0.099   1.000 18.651 0 121 PRO   A C     1 ? 
ATOM   158  O  O     . PRO   A 1 10  ? -2.187  -8.472  1.222   1.000 19.728 0 121 PRO   A O     1 ? 
ATOM   159  C  CB    . PRO   A 1 10  ? -0.734  -7.915  -1.511  1.000 21.937 0 121 PRO   A CB    1 ? 
ATOM   160  C  CG    . PRO   A 1 10  ? 0.377   -6.905  -1.326  1.000 22.560 0 121 PRO   A CG    1 ? 
ATOM   161  C  CD    . PRO   A 1 10  ? -0.029  -5.984  -0.191  1.000 22.242 0 121 PRO   A CD    1 ? 
ATOM   162  H  HA    . PRO   A 1 10  ? -2.616  -7.010  -1.567  1.000 20.106 0 121 PRO   A HA    1 c 
ATOM   163  H  HB2   . PRO   A 1 10  ? -0.504  -8.768  -1.074  1.000 21.732 0 121 PRO   A HB2   1 c 
ATOM   164  H  HB3   . PRO   A 1 10  ? -0.890  -8.087  -2.469  1.000 21.857 0 121 PRO   A HB3   1 c 
ATOM   165  H  HG2   . PRO   A 1 10  ? 1.218   -7.360  -1.108  1.000 22.425 0 121 PRO   A HG2   1 c 
ATOM   166  H  HG3   . PRO   A 1 10  ? 0.510   -6.390  -2.149  1.000 22.402 0 121 PRO   A HG3   1 c 
ATOM   167  H  HD2   . PRO   A 1 10  ? 0.371   -6.274  0.659   1.000 22.062 0 121 PRO   A HD2   1 c 
ATOM   168  H  HD3   . PRO   A 1 10  ? 0.246   -5.059  -0.377  1.000 21.903 0 121 PRO   A HD3   1 c 
ATOM   169  N  N     . LEU   A 1 11  ? -3.738  -8.879  -0.374  1.000 17.947 0 122 LEU   A N     1 ? 
ATOM   170  C  CA    . LEU   A 1 11  ? -4.428  -9.969  0.296   1.000 17.603 0 122 LEU   A CA    1 ? 
ATOM   171  C  C     . LEU   A 1 11  ? -4.435  -11.166 -0.649  1.000 17.451 0 122 LEU   A C     1 ? 
ATOM   172  O  O     . LEU   A 1 11  ? -5.414  -11.401 -1.356  1.000 15.830 0 122 LEU   A O     1 ? 
ATOM   173  C  CB    . LEU   A 1 11  ? -5.847  -9.530  0.653   1.000 17.032 0 122 LEU   A CB    1 ? 
ATOM   174  C  CG    . LEU   A 1 11  ? -5.969  -8.230  1.457   1.000 17.318 0 122 LEU   A CG    1 ? 
ATOM   175  C  CD1   . LEU   A 1 11  ? -7.421  -7.791  1.493   1.000 16.619 0 122 LEU   A CD1   1 ? 
ATOM   176  C  CD2   . LEU   A 1 11  ? -5.398  -8.373  2.850   1.000 17.855 0 122 LEU   A CD2   1 ? 
ATOM   177  H  H     . LEU   A 1 11  ? -4.073  -8.592  -1.174  1.000 18.072 0 122 LEU   A H     1 c 
ATOM   178  H  HA    . LEU   A 1 11  ? -3.937  -10.203 1.123   1.000 17.566 0 122 LEU   A HA    1 c 
ATOM   179  H  HB2   . LEU   A 1 11  ? -6.356  -9.424  -0.182  1.000 17.050 0 122 LEU   A HB2   1 c 
ATOM   180  H  HB3   . LEU   A 1 11  ? -6.272  -10.254 1.169   1.000 17.126 0 122 LEU   A HB3   1 c 
ATOM   181  H  HG    . LEU   A 1 11  ? -5.451  -7.527  0.986   1.000 17.225 0 122 LEU   A HG    1 c 
ATOM   182  H  HD11  . LEU   A 1 11  ? -7.739  -7.642  0.587   1.000 16.744 0 122 LEU   A HD11  1 c 
ATOM   183  H  HD12  . LEU   A 1 11  ? -7.499  -6.967  2.002   1.000 16.706 0 122 LEU   A HD12  1 c 
ATOM   184  H  HD13  . LEU   A 1 11  ? -7.959  -8.482  1.915   1.000 16.712 0 122 LEU   A HD13  1 c 
ATOM   185  H  HD21  . LEU   A 1 11  ? -4.455  -8.599  2.795   1.000 17.717 0 122 LEU   A HD21  1 c 
ATOM   186  H  HD22  . LEU   A 1 11  ? -5.871  -9.077  3.325   1.000 17.764 0 122 LEU   A HD22  1 c 
ATOM   187  H  HD23  . LEU   A 1 11  ? -5.501  -7.534  3.331   1.000 17.773 0 122 LEU   A HD23  1 c 
ATOM   188  N  N     . PRO   A 1 12  ? -3.324  -11.925 -0.750  1.000 19.304 0 123 PRO   A N     1 ? 
ATOM   189  C  CA    . PRO   A 1 12  ? -3.207  -12.988 -1.755  1.000 18.405 0 123 PRO   A CA    1 ? 
ATOM   190  C  C     . PRO   A 1 12  ? -4.227  -14.107 -1.598  1.000 18.482 0 123 PRO   A C     1 ? 
ATOM   191  O  O     . PRO   A 1 12  ? -4.312  -14.730 -0.556  1.000 31.495 0 123 PRO   A O     1 ? 
ATOM   192  C  CB    . PRO   A 1 12  ? -1.766  -13.518 -1.583  1.000 20.032 0 123 PRO   A CB    1 ? 
ATOM   193  C  CG    . PRO   A 1 12  ? -1.060  -12.470 -0.745  1.000 19.213 0 123 PRO   A CG    1 ? 
ATOM   194  C  CD    . PRO   A 1 12  ? -2.123  -11.789 0.082   1.000 20.075 0 123 PRO   A CD    1 ? 
ATOM   195  H  HA    . PRO   A 1 12  ? -3.298  -12.579 -2.651  1.000 18.567 0 123 PRO   A HA    1 c 
ATOM   196  H  HB2   . PRO   A 1 12  ? -1.765  -14.391 -1.122  1.000 19.625 0 123 PRO   A HB2   1 c 
ATOM   197  H  HB3   . PRO   A 1 12  ? -1.324  -13.623 -2.458  1.000 19.871 0 123 PRO   A HB3   1 c 
ATOM   198  H  HG2   . PRO   A 1 12  ? -0.391  -12.886 -0.164  1.000 19.457 0 123 PRO   A HG2   1 c 
ATOM   199  H  HG3   . PRO   A 1 12  ? -0.607  -11.819 -1.322  1.000 19.421 0 123 PRO   A HG3   1 c 
ATOM   200  H  HD2   . PRO   A 1 12  ? -2.236  -12.237 0.948   1.000 20.010 0 123 PRO   A HD2   1 c 
ATOM   201  H  HD3   . PRO   A 1 12  ? -1.896  -10.847 0.232   1.000 19.788 0 123 PRO   A HD3   1 c 
ATOM   202  N  N     . GLY   A 1 13  ? -4.944  -14.406 -2.682  1.000 17.062 0 124 GLY   A N     1 ? 
ATOM   203  C  CA    . GLY   A 1 13  ? -6.023  -15.378 -2.667  1.000 18.869 0 124 GLY   A CA    1 ? 
ATOM   204  C  C     . GLY   A 1 13  ? -7.264  -14.843 -1.963  1.000 19.116 0 124 GLY   A C     1 ? 
ATOM   205  O  O     . GLY   A 1 13  ? -8.154  -15.627 -1.640  1.000 22.904 0 124 GLY   A O     1 ? 
ATOM   206  H  H     . GLY   A 1 13  ? -4.756  -13.975 -3.465  1.000 17.623 0 124 GLY   A H     1 c 
ATOM   207  H  HA2   . GLY   A 1 13  ? -6.251  -15.618 -3.596  1.000 18.694 0 124 GLY   A HA2   1 c 
ATOM   208  H  HA3   . GLY   A 1 13  ? -5.715  -16.196 -2.212  1.000 18.513 0 124 GLY   A HA3   1 c 
ATOM   209  N  N     . GLY   A 1 14  ? -7.295  -13.524 -1.715  1.000 18.526 0 125 GLY   A N     1 ? 
ATOM   210  C  CA    . GLY   A 1 14  ? -8.425  -12.857 -1.077  1.000 17.567 0 125 GLY   A CA    1 ? 
ATOM   211  C  C     . GLY   A 1 14  ? -8.522  -13.116 0.423   1.000 17.477 0 125 GLY   A C     1 ? 
ATOM   212  O  O     . GLY   A 1 14  ? -7.536  -13.456 1.069   1.000 21.485 0 125 GLY   A O     1 ? 
ATOM   213  H  H     . GLY   A 1 14  ? -6.583  -13.012 -1.969  1.000 18.362 0 125 GLY   A H     1 c 
ATOM   214  H  HA2   . GLY   A 1 14  ? -8.340  -11.891 -1.228  1.000 17.684 0 125 GLY   A HA2   1 c 
ATOM   215  H  HA3   . GLY   A 1 14  ? -9.256  -13.155 -1.511  1.000 17.742 0 125 GLY   A HA3   1 c 
ATOM   216  N  N     . VAL   A 1 15  ? -9.731  -12.932 0.944   1.000 15.951 0 126 VAL   A N     1 ? 
ATOM   217  C  CA    . VAL   A 1 15  ? -9.966  -13.063 2.375   1.000 15.609 0 126 VAL   A CA    1 ? 
ATOM   218  C  C     . VAL   A 1 15  ? -10.743 -14.348 2.639   1.000 15.677 0 126 VAL   A C     1 ? 
ATOM   219  O  O     . VAL   A 1 15  ? -11.274 -14.967 1.722   1.000 16.883 0 126 VAL   A O     1 ? 
ATOM   220  C  CB    . VAL   A 1 15  ? -10.677 -11.821 2.947   1.000 15.416 0 126 VAL   A CB    1 ? 
ATOM   221  C  CG1   . VAL   A 1 15  ? -9.868  -10.558 2.714   1.000 15.559 0 126 VAL   A CG1   1 ? 
ATOM   222  C  CG2   . VAL   A 1 15  ? -12.101 -11.652 2.433   1.000 15.423 0 126 VAL   A CG2   1 ? 
ATOM   223  H  H     . VAL   A 1 15  ? -10.432 -12.723 0.397   1.000 16.075 0 126 VAL   A H     1 c 
ATOM   224  H  HA    . VAL   A 1 15  ? -9.101  -13.140 2.817   1.000 15.642 0 126 VAL   A HA    1 c 
ATOM   225  H  HB    . VAL   A 1 15  ? -10.733 -11.951 3.922   1.000 15.391 0 126 VAL   A HB    1 c 
ATOM   226  H  HG11  . VAL   A 1 15  ? -9.750  -10.419 1.759   1.000 15.574 0 126 VAL   A HG11  1 c 
ATOM   227  H  HG12  . VAL   A 1 15  ? -8.998  -10.647 3.138   1.000 15.515 0 126 VAL   A HG12  1 c 
ATOM   228  H  HG13  . VAL   A 1 15  ? -10.337 -9.797  3.095   1.000 15.524 0 126 VAL   A HG13  1 c 
ATOM   229  H  HG21  . VAL   A 1 15  ? -12.480 -10.831 2.791   1.000 15.424 0 126 VAL   A HG21  1 c 
ATOM   230  H  HG22  . VAL   A 1 15  ? -12.643 -12.406 2.719   1.000 15.399 0 126 VAL   A HG22  1 c 
ATOM   231  H  HG23  . VAL   A 1 15  ? -12.095 -11.608 1.462   1.000 15.477 0 126 VAL   A HG23  1 c 
ATOM   232  N  N     . VAL   A 1 16  ? -10.772 -14.750 3.911   1.000 16.088 0 127 VAL   A N     1 ? 
ATOM   233  C  CA    . VAL   A 1 16  ? -11.388 -15.994 4.336   1.000 16.623 0 127 VAL   A CA    1 ? 
ATOM   234  C  C     . VAL   A 1 16  ? -11.891 -15.783 5.760   1.000 16.167 0 127 VAL   A C     1 ? 
ATOM   235  O  O     . VAL   A 1 16  ? -11.296 -15.021 6.526   1.000 15.556 0 127 VAL   A O     1 ? 
ATOM   236  C  CB    . VAL   A 1 16  ? -10.383 -17.157 4.243   1.000 18.438 0 127 VAL   A CB    1 ? 
ATOM   237  C  CG1   . VAL   A 1 16  ? -9.169  -16.991 5.142   1.000 18.849 0 127 VAL   A CG1   1 ? 
ATOM   238  C  CG2   . VAL   A 1 16  ? -11.044 -18.508 4.460   1.000 20.345 0 127 VAL   A CG2   1 ? 
ATOM   239  H  H     . VAL   A 1 16  ? -10.381 -14.220 4.544   1.000 16.151 0 127 VAL   A H     1 c 
ATOM   240  H  HA    . VAL   A 1 16  ? -12.146 -16.183 3.753   1.000 16.625 0 127 VAL   A HA    1 c 
ATOM   241  H  HB    . VAL   A 1 16  ? -10.043 -17.158 3.317   1.000 18.344 0 127 VAL   A HB    1 c 
ATOM   242  H  HG11  . VAL   A 1 16  ? -9.452  -16.961 6.070   1.000 18.792 0 127 VAL   A HG11  1 c 
ATOM   243  H  HG12  . VAL   A 1 16  ? -8.707  -16.166 4.917   1.000 18.748 0 127 VAL   A HG12  1 c 
ATOM   244  H  HG13  . VAL   A 1 16  ? -8.566  -17.743 5.014   1.000 18.752 0 127 VAL   A HG13  1 c 
ATOM   245  H  HG21  . VAL   A 1 16  ? -10.383 -19.213 4.351   1.000 19.886 0 127 VAL   A HG21  1 c 
ATOM   246  H  HG22  . VAL   A 1 16  ? -11.755 -18.630 3.809   1.000 19.957 0 127 VAL   A HG22  1 c 
ATOM   247  H  HG23  . VAL   A 1 16  ? -11.414 -18.550 5.357   1.000 20.046 0 127 VAL   A HG23  1 c 
ATOM   248  N  N     . PRO   A 1 17  ? -13.001 -16.430 6.175   1.000 16.016 0 128 PRO   A N     1 ? 
ATOM   249  C  CA    . PRO   A 1 17  ? -13.427 -16.333 7.569   1.000 16.345 0 128 PRO   A CA    1 ? 
ATOM   250  C  C     . PRO   A 1 17  ? -12.293 -16.674 8.534   1.000 16.036 0 128 PRO   A C     1 ? 
ATOM   251  O  O     . PRO   A 1 17  ? -11.514 -17.597 8.295   1.000 16.925 0 128 PRO   A O     1 ? 
ATOM   252  C  CB    . PRO   A 1 17  ? -14.611 -17.294 7.649   1.000 17.033 0 128 PRO   A CB    1 ? 
ATOM   253  C  CG    . PRO   A 1 17  ? -15.179 -17.268 6.255   1.000 17.239 0 128 PRO   A CG    1 ? 
ATOM   254  C  CD    . PRO   A 1 17  ? -13.947 -17.210 5.360   1.000 16.835 0 128 PRO   A CD    1 ? 
ATOM   255  H  HA    . PRO   A 1 17  ? -13.744 -15.412 7.734   1.000 16.351 0 128 PRO   A HA    1 c 
ATOM   256  H  HB2   . PRO   A 1 17  ? -14.314 -18.202 7.893   1.000 16.949 0 128 PRO   A HB2   1 c 
ATOM   257  H  HB3   . PRO   A 1 17  ? -15.276 -16.982 8.307   1.000 16.927 0 128 PRO   A HB3   1 c 
ATOM   258  H  HG2   . PRO   A 1 17  ? -15.705 -18.075 6.074   1.000 17.093 0 128 PRO   A HG2   1 c 
ATOM   259  H  HG3   . PRO   A 1 17  ? -15.745 -16.480 6.121   1.000 17.107 0 128 PRO   A HG3   1 c 
ATOM   260  H  HD2   . PRO   A 1 17  ? -13.605 -18.111 5.176   1.000 16.795 0 128 PRO   A HD2   1 c 
ATOM   261  H  HD3   . PRO   A 1 17  ? -14.149 -16.757 4.512   1.000 16.685 0 128 PRO   A HD3   1 c 
ATOM   262  N  N     . ARG   A 1 18  ? -12.235 -15.884 9.614   1.000 15.827 0 129 ARG   A N     1 ? 
ATOM   263  C  CA    . ARG   A 1 18  ? -11.259 -15.979 10.694  1.000 16.500 0 129 ARG   A CA    1 ? 
ATOM   264  C  C     . ARG   A 1 18  ? -10.011 -15.153 10.383  1.000 15.414 0 129 ARG   A C     1 ? 
ATOM   265  O  O     . ARG   A 1 18  ? -9.117  -15.053 11.218  1.000 17.112 0 129 ARG   A O     1 ? 
ATOM   266  C  CB    . ARG   A 1 18  ? -10.895 -17.415 11.087  1.000 17.629 0 129 ARG   A CB    1 ? 
ATOM   267  C  CG    . ARG   A 1 18  ? -12.096 -18.153 11.665  1.000 20.361 0 129 ARG   A CG    1 ? 
ATOM   268  C  CD    . ARG   A 1 18  ? -11.727 -19.475 12.297  1.000 22.432 0 129 ARG   A CD    1 ? 
ATOM   269  N  NE    . ARG   A 1 18  ? -10.844 -20.256 11.425  1.000 27.026 0 129 ARG   A NE    1 ? 
ATOM   270  C  CZ    . ARG   A 1 18  ? -11.207 -21.178 10.548  1.000 32.025 0 129 ARG   A CZ    1 ? 
ATOM   271  N  NH1   . ARG   A 1 18  ? -10.275 -21.814 9.855   1.000 34.263 0 129 ARG   A NH1   1 ? 
ATOM   272  N  NH2   . ARG   A 1 18  ? -12.486 -21.455 10.342  1.000 35.287 0 129 ARG   A NH2   1 ? 
ATOM   273  H  H     . ARG   A 1 18  ? -12.869 -15.230 9.682   1.000 15.964 0 129 ARG   A H     1 c 
ATOM   274  H  HA    . ARG   A 1 18  ? -11.678 -15.577 11.497  1.000 16.401 0 129 ARG   A HA    1 c 
ATOM   275  H  HB2   . ARG   A 1 18  ? -10.558 -17.899 10.305  1.000 17.698 0 129 ARG   A HB2   1 c 
ATOM   276  H  HB3   . ARG   A 1 18  ? -10.180 -17.393 11.759  1.000 17.717 0 129 ARG   A HB3   1 c 
ATOM   277  H  HG2   . ARG   A 1 18  ? -12.528 -17.587 12.342  1.000 20.067 0 129 ARG   A HG2   1 c 
ATOM   278  H  HG3   . ARG   A 1 18  ? -12.748 -18.315 10.949  1.000 20.112 0 129 ARG   A HG3   1 c 
ATOM   279  H  HD2   . ARG   A 1 18  ? -11.275 -19.306 13.147  1.000 22.419 0 129 ARG   A HD2   1 c 
ATOM   280  H  HD3   . ARG   A 1 18  ? -12.539 -19.986 12.484  1.000 22.637 0 129 ARG   A HD3   1 c 
ATOM   281  H  HE    . ARG   A 1 18  ? -9.990  -20.100 11.493  1.000 26.589 0 129 ARG   A HE    1 c 
ATOM   282  H  HH11  . ARG   A 1 18  ? -10.509 -22.414 9.249   1.000 33.780 0 129 ARG   A HH11  1 c 
ATOM   283  H  HH12  . ARG   A 1 18  ? -9.420  -21.641 9.998   1.000 33.619 0 129 ARG   A HH12  1 c 
ATOM   284  H  HH21  . ARG   A 1 18  ? -12.706 -22.121 9.804   1.000 34.593 0 129 ARG   A HH21  1 c 
ATOM   285  H  HH22  . ARG   A 1 18  ? -13.119 -20.978 10.728  1.000 34.168 0 129 ARG   A HH22  1 c 
ATOM   286  N  N     . MET   A 1 19  ? -9.951  -14.538 9.198   1.000 14.991 0 130 MET   A N     1 ? 
ATOM   287  C  CA    . MET   A 1 19  ? -8.873  -13.610 8.897   1.000 15.769 0 130 MET   A CA    1 ? 
ATOM   288  C  C     . MET   A 1 19  ? -9.123  -12.289 9.625   1.000 15.197 0 130 MET   A C     1 ? 
ATOM   289  O  O     . MET   A 1 19  ? -10.202 -11.708 9.489   1.000 16.949 0 130 MET   A O     1 ? 
ATOM   290  C  CB    . MET   A 1 19  ? -8.796  -13.377 7.387   1.000 16.671 0 130 MET   A CB    1 ? 
ATOM   291  C  CG    . MET   A 1 19  ? -7.539  -12.681 6.910   1.000 18.253 0 130 MET   A CG    1 ? 
ATOM   292  S  SD    . MET   A 1 19  ? -7.466  -12.785 5.112   1.000 21.169 0 130 MET   A SD    1 ? 
ATOM   293  C  CE    . MET   A 1 19  ? -6.008  -11.856 4.625   1.000 20.519 0 130 MET   A CE    1 ? 
ATOM   294  H  H     . MET   A 1 19  ? -10.589 -14.694 8.564   1.000 15.110 0 130 MET   A H     1 c 
ATOM   295  H  HA    . MET   A 1 19  ? -8.021  -14.001 9.216   1.000 15.704 0 130 MET   A HA    1 c 
ATOM   296  H  HB2   . MET   A 1 19  ? -8.862  -14.245 6.937   1.000 16.675 0 130 MET   A HB2   1 c 
ATOM   297  H  HB3   . MET   A 1 19  ? -9.573  -12.843 7.116   1.000 16.680 0 130 MET   A HB3   1 c 
ATOM   298  H  HG2   . MET   A 1 19  ? -7.550  -11.742 7.185   1.000 18.250 0 130 MET   A HG2   1 c 
ATOM   299  H  HG3   . MET   A 1 19  ? -6.750  -13.111 7.297   1.000 18.265 0 130 MET   A HG3   1 c 
ATOM   300  H  HE1   . MET   A 1 19  ? -5.951  -11.828 3.652   1.000 20.554 0 130 MET   A HE1   1 c 
ATOM   301  H  HE2   . MET   A 1 19  ? -6.072  -10.946 4.972   1.000 20.599 0 130 MET   A HE2   1 c 
ATOM   302  H  HE3   . MET   A 1 19  ? -5.213  -12.287 4.987   1.000 20.627 0 130 MET   A HE3   1 c 
ATOM   303  N  N     . LEU   A 1 20  ? -8.105  -11.824 10.363  1.000 16.106 0 131 LEU   A N     1 ? 
ATOM   304  C  CA    . LEU   A 1 20  ? -8.171  -10.596 11.148  1.000 16.893 0 131 LEU   A CA    1 ? 
ATOM   305  C  C     . LEU   A 1 20  ? -7.144  -9.620  10.583  1.000 17.222 0 131 LEU   A C     1 ? 
ATOM   306  O  O     . LEU   A 1 20  ? -5.944  -9.897  10.623  1.000 18.609 0 131 LEU   A O     1 ? 
ATOM   307  C  CB    . LEU   A 1 20  ? -7.917  -10.892 12.630  1.000 18.128 0 131 LEU   A CB    1 ? 
ATOM   308  C  CG    . LEU   A 1 20  ? -7.973  -9.699  13.590  1.000 19.739 0 131 LEU   A CG    1 ? 
ATOM   309  C  CD1   . LEU   A 1 20  ? -9.369  -9.096  13.646  1.000 19.633 0 131 LEU   A CD1   1 ? 
ATOM   310  C  CD2   . LEU   A 1 20  ? -7.524  -10.134 14.970  1.000 20.388 0 131 LEU   A CD2   1 ? 
ATOM   311  H  H     . LEU   A 1 20  ? -7.325  -12.300 10.375  1.000 16.014 0 131 LEU   A H     1 c 
ATOM   312  H  HA    . LEU   A 1 20  ? -9.075  -10.206 11.046  1.000 16.989 0 131 LEU   A HA    1 c 
ATOM   313  H  HB2   . LEU   A 1 20  ? -8.579  -11.559 12.926  1.000 18.133 0 131 LEU   A HB2   1 c 
ATOM   314  H  HB3   . LEU   A 1 20  ? -7.029  -11.310 12.709  1.000 18.124 0 131 LEU   A HB3   1 c 
ATOM   315  H  HG    . LEU   A 1 20  ? -7.345  -9.004  13.265  1.000 19.527 0 131 LEU   A HG    1 c 
ATOM   316  H  HD11  . LEU   A 1 20  ? -9.610  -8.748  12.772  1.000 19.661 0 131 LEU   A HD11  1 c 
ATOM   317  H  HD12  . LEU   A 1 20  ? -9.385  -8.376  14.297  1.000 19.580 0 131 LEU   A HD12  1 c 
ATOM   318  H  HD13  . LEU   A 1 20  ? -10.008 -9.781  13.908  1.000 19.642 0 131 LEU   A HD13  1 c 
ATOM   319  H  HD21  . LEU   A 1 20  ? -6.613  -10.469 14.925  1.000 20.291 0 131 LEU   A HD21  1 c 
ATOM   320  H  HD22  . LEU   A 1 20  ? -8.111  -10.837 15.296  1.000 20.316 0 131 LEU   A HD22  1 c 
ATOM   321  H  HD23  . LEU   A 1 20  ? -7.560  -9.376  15.577  1.000 20.263 0 131 LEU   A HD23  1 c 
ATOM   322  N  N     . ILE   A 1 21  ? -7.635  -8.506  10.023  1.000 16.262 0 132 ILE   A N     1 ? 
ATOM   323  C  CA    . ILE   A 1 21  ? -6.776  -7.479  9.460   1.000 16.544 0 132 ILE   A CA    1 ? 
ATOM   324  C  C     . ILE   A 1 21  ? -6.666  -6.353  10.486  1.000 16.494 0 132 ILE   A C     1 ? 
ATOM   325  O  O     . ILE   A 1 21  ? -7.690  -5.836  10.913  1.000 17.730 0 132 ILE   A O     1 ? 
ATOM   326  C  CB    . ILE   A 1 21  ? -7.318  -6.972  8.108   1.000 17.651 0 132 ILE   A CB    1 ? 
ATOM   327  C  CG1   . ILE   A 1 21  ? -7.464  -8.098  7.066   1.000 18.783 0 132 ILE   A CG1   1 ? 
ATOM   328  C  CG2   . ILE   A 1 21  ? -6.434  -5.846  7.572   1.000 19.237 0 132 ILE   A CG2   1 ? 
ATOM   329  C  CD1   . ILE   A 1 21  ? -8.870  -8.630  6.889   1.000 19.678 0 132 ILE   A CD1   1 ? 
ATOM   330  H  H     . ILE   A 1 21  ? -8.541  -8.385  9.990   1.000 16.467 0 132 ILE   A H     1 c 
ATOM   331  H  HA    . ILE   A 1 21  ? -5.890  -7.859  9.312   1.000 16.633 0 132 ILE   A HA    1 c 
ATOM   332  H  HB    . ILE   A 1 21  ? -8.209  -6.601  8.268   1.000 17.817 0 132 ILE   A HB    1 c 
ATOM   333  H  HG12  . ILE   A 1 21  ? -7.147  -7.767  6.201   1.000 18.719 0 132 ILE   A HG12  1 c 
ATOM   334  H  HG13  . ILE   A 1 21  ? -6.883  -8.841  7.329   1.000 18.749 0 132 ILE   A HG13  1 c 
ATOM   335  H  HG21  . ILE   A 1 21  ? -6.774  -5.547  6.711   1.000 18.981 0 132 ILE   A HG21  1 c 
ATOM   336  H  HG22  . ILE   A 1 21  ? -5.524  -6.169  7.463   1.000 18.905 0 132 ILE   A HG22  1 c 
ATOM   337  H  HG23  . ILE   A 1 21  ? -6.439  -5.099  8.194   1.000 18.979 0 132 ILE   A HG23  1 c 
ATOM   338  H  HD11  . ILE   A 1 21  ? -9.195  -8.983  7.739   1.000 19.517 0 132 ILE   A HD11  1 c 
ATOM   339  H  HD12  . ILE   A 1 21  ? -8.870  -9.343  6.222   1.000 19.540 0 132 ILE   A HD12  1 c 
ATOM   340  H  HD13  . ILE   A 1 21  ? -9.457  -7.909  6.592   1.000 19.509 0 132 ILE   A HD13  1 c 
ATOM   341  N  N     . THR   A 1 22  ? -5.428  -5.990  10.844  1.000 15.482 0 133 THR   A N     1 ? 
ATOM   342  C  CA    . THR   A 1 22  ? -5.150  -4.953  11.827  1.000 15.904 0 133 THR   A CA    1 ? 
ATOM   343  C  C     . THR   A 1 22  ? -4.419  -3.789  11.161  1.000 15.656 0 133 THR   A C     1 ? 
ATOM   344  O  O     . THR   A 1 22  ? -3.335  -3.962  10.600  1.000 16.851 0 133 THR   A O     1 ? 
ATOM   345  C  CB    . THR   A 1 22  ? -4.317  -5.497  12.990  1.000 16.864 0 133 THR   A CB    1 ? 
ATOM   346  O  OG1   . THR   A 1 22  ? -5.051  -6.556  13.595  1.000 18.132 0 133 THR   A OG1   1 ? 
ATOM   347  C  CG2   . THR   A 1 22  ? -4.037  -4.442  14.047  1.000 17.778 0 133 THR   A CG2   1 ? 
ATOM   348  H  H     . THR   A 1 22  ? -4.719  -6.412  10.451  1.000 15.688 0 133 THR   A H     1 c 
ATOM   349  H  HA    . THR   A 1 22  ? -6.003  -4.632  12.187  1.000 15.914 0 133 THR   A HA    1 c 
ATOM   350  H  HB    . THR   A 1 22  ? -3.460  -5.848  12.649  1.000 16.993 0 133 THR   A HB    1 c 
ATOM   351  H  HG1   . THR   A 1 22  ? -5.808  -6.267  13.892  0.000 18.594 0 133 THR   A HG1   1 c 
ATOM   352  H  HG21  . THR   A 1 22  ? -3.542  -4.842  14.782  1.000 17.611 0 133 THR   A HG21  1 c 
ATOM   353  H  HG22  . THR   A 1 22  ? -4.878  -4.087  14.381  1.000 17.576 0 133 THR   A HG22  1 c 
ATOM   354  H  HG23  . THR   A 1 22  ? -3.513  -3.721  13.660  1.000 17.571 0 133 THR   A HG23  1 c 
ATOM   355  N  N     A ILE   A 1 23  ? -5.025  -2.602  11.258  0.500 14.961 0 134 ILE   A N     1 ? 
ATOM   356  N  N     B ILE   A 1 23  ? -5.023  -2.600  11.266  0.500 14.919 0 134 ILE   A N     1 ? 
ATOM   357  C  CA    A ILE   A 1 23  ? -4.428  -1.363  10.786  0.500 14.529 0 134 ILE   A CA    1 ? 
ATOM   358  C  CA    B ILE   A 1 23  ? -4.440  -1.354  10.792  0.500 14.487 0 134 ILE   A CA    1 ? 
ATOM   359  C  C     A ILE   A 1 23  ? -4.129  -0.486  12.001  0.500 14.534 0 134 ILE   A C     1 ? 
ATOM   360  C  C     B ILE   A 1 23  ? -4.130  -0.479  12.004  0.500 14.532 0 134 ILE   A C     1 ? 
ATOM   361  O  O     A ILE   A 1 23  ? -5.032  -0.169  12.774  0.500 14.866 0 134 ILE   A O     1 ? 
ATOM   362  O  O     B ILE   A 1 23  ? -5.033  -0.142  12.769  0.500 14.916 0 134 ILE   A O     1 ? 
ATOM   363  C  CB    A ILE   A 1 23  ? -5.354  -0.647  9.788   0.500 14.985 0 134 ILE   A CB    1 ? 
ATOM   364  C  CB    B ILE   A 1 23  ? -5.395  -0.633  9.828   0.500 14.813 0 134 ILE   A CB    1 ? 
ATOM   365  C  CG1   A ILE   A 1 23  ? -5.724  -1.555  8.611   0.500 15.320 0 134 ILE   A CG1   1 ? 
ATOM   366  C  CG1   B ILE   A 1 23  ? -5.885  -1.569  8.725   0.500 15.025 0 134 ILE   A CG1   1 ? 
ATOM   367  C  CG2   A ILE   A 1 23  ? -4.727  0.662   9.310   0.500 15.188 0 134 ILE   A CG2   1 ? 
ATOM   368  C  CG2   B ILE   A 1 23  ? -4.741  0.627   9.261   0.500 14.972 0 134 ILE   A CG2   1 ? 
ATOM   369  C  CD1   A ILE   A 1 23  ? -7.081  -2.227  8.729   0.500 15.585 0 134 ILE   A CD1   1 ? 
ATOM   370  C  CD1   B ILE   A 1 23  ? -4.772  -2.232  7.933   0.500 15.486 0 134 ILE   A CD1   1 ? 
ATOM   371  H  H     A ILE   A 1 23  ? -5.854  -2.564  11.639  0.500 14.995 0 134 ILE   A H     1 c 
ATOM   372  H  H     B ILE   A 1 23  ? -5.849  -2.566  11.657  0.500 14.962 0 134 ILE   A H     1 c 
ATOM   373  H  HA    A ILE   A 1 23  ? -3.589  -1.571  10.333  0.500 14.637 0 134 ILE   A HA    1 c 
ATOM   374  H  HA    B ILE   A 1 23  ? -3.608  -1.552  10.320  0.500 14.580 0 134 ILE   A HA    1 c 
ATOM   375  H  HB    A ILE   A 1 23  ? -6.182  -0.426  10.260  0.500 14.981 0 134 ILE   A HB    1 c 
ATOM   376  H  HB    B ILE   A 1 23  ? -6.178  -0.354  10.344  0.500 14.808 0 134 ILE   A HB    1 c 
ATOM   377  H  HG12  A ILE   A 1 23  ? -5.710  -1.022  7.789   0.500 15.299 0 134 ILE   A HG12  1 c 
ATOM   378  H  HG12  B ILE   A 1 23  ? -6.442  -2.265  9.128   0.500 15.044 0 134 ILE   A HG12  1 c 
ATOM   379  H  HG13  A ILE   A 1 23  ? -5.040  -2.250  8.526   0.500 15.302 0 134 ILE   A HG13  1 c 
ATOM   380  H  HG13  B ILE   A 1 23  ? -6.447  -1.057  8.107   0.500 15.041 0 134 ILE   A HG13  1 c 
ATOM   381  H  HG21  A ILE   A 1 23  ? -5.326  1.100   8.682   0.500 15.140 0 134 ILE   A HG21  1 c 
ATOM   382  H  HG21  B ILE   A 1 23  ? -5.358  1.070   8.655   0.500 14.931 0 134 ILE   A HG21  1 c 
ATOM   383  H  HG22  A ILE   A 1 23  ? -3.880  0.477   8.871   0.500 15.138 0 134 ILE   A HG22  1 c 
ATOM   384  H  HG22  B ILE   A 1 23  ? -3.932  0.386   8.779   0.500 14.933 0 134 ILE   A HG22  1 c 
ATOM   385  H  HG23  A ILE   A 1 23  ? -4.575  1.247   10.071  0.500 15.135 0 134 ILE   A HG23  1 c 
ATOM   386  H  HG23  B ILE   A 1 23  ? -4.514  1.231   9.988   0.500 14.920 0 134 ILE   A HG23  1 c 
ATOM   387  H  HD11  A ILE   A 1 23  ? -7.106  -2.778  9.533   0.500 15.535 0 134 ILE   A HD11  1 c 
ATOM   388  H  HD11  B ILE   A 1 23  ? -4.207  -1.546  7.531   0.500 15.430 0 134 ILE   A HD11  1 c 
ATOM   389  H  HD12  A ILE   A 1 23  ? -7.238  -2.788  7.946   0.500 15.543 0 134 ILE   A HD12  1 c 
ATOM   390  H  HD12  B ILE   A 1 23  ? -5.156  -2.788  7.229   0.500 15.406 0 134 ILE   A HD12  1 c 
ATOM   391  H  HD13  A ILE   A 1 23  ? -7.777  -1.544  8.782   0.500 15.571 0 134 ILE   A HD13  1 c 
ATOM   392  H  HD13  B ILE   A 1 23  ? -4.232  -2.786  8.526   0.500 15.430 0 134 ILE   A HD13  1 c 
ATOM   393  N  N     . LEU   A 1 24  ? -2.853  -0.121  12.165  1.000 14.272 0 135 LEU   A N     1 ? 
ATOM   394  C  CA    . LEU   A 1 24  ? -2.406  0.724   13.266  1.000 14.748 0 135 LEU   A CA    1 ? 
ATOM   395  C  C     . LEU   A 1 24  ? -1.917  2.046   12.695  1.000 14.818 0 135 LEU   A C     1 ? 
ATOM   396  O  O     . LEU   A 1 24  ? -1.211  2.070   11.692  1.000 14.697 0 135 LEU   A O     1 ? 
ATOM   397  C  CB    . LEU   A 1 24  ? -1.275  0.046   14.041  1.000 16.805 0 135 LEU   A CB    1 ? 
ATOM   398  C  CG    . LEU   A 1 24  ? -1.660  -1.142  14.932  1.000 18.861 0 135 LEU   A CG    1 ? 
ATOM   399  C  CD1   . LEU   A 1 24  ? -0.414  -1.913  15.338  1.000 20.084 0 135 LEU   A CD1   1 ? 
ATOM   400  C  CD2   . LEU   A 1 24  ? -2.439  -0.700  16.158  1.000 20.095 0 135 LEU   A CD2   1 ? 
ATOM   401  H  H     . LEU   A 1 24  ? -2.230  -0.412  11.564  1.000 14.315 0 135 LEU   A H     1 c 
ATOM   402  H  HA    . LEU   A 1 24  ? -3.166  0.896   13.876  1.000 14.746 0 135 LEU   A HA    1 c 
ATOM   403  H  HB2   . LEU   A 1 24  ? -0.601  -0.260  13.391  1.000 16.605 0 135 LEU   A HB2   1 c 
ATOM   404  H  HB3   . LEU   A 1 24  ? -0.842  0.727   14.608  1.000 16.561 0 135 LEU   A HB3   1 c 
ATOM   405  H  HG    . LEU   A 1 24  ? -2.238  -1.749  14.402  1.000 18.678 0 135 LEU   A HG    1 c 
ATOM   406  H  HD11  . LEU   A 1 24  ? 0.039   -2.241  14.543  1.000 19.713 0 135 LEU   A HD11  1 c 
ATOM   407  H  HD12  . LEU   A 1 24  ? -0.667  -2.666  15.898  1.000 19.863 0 135 LEU   A HD12  1 c 
ATOM   408  H  HD13  . LEU   A 1 24  ? 0.184   -1.329  15.833  1.000 19.898 0 135 LEU   A HD13  1 c 
ATOM   409  H  HD21  . LEU   A 1 24  ? -3.252  -0.246  15.880  1.000 19.696 0 135 LEU   A HD21  1 c 
ATOM   410  H  HD22  . LEU   A 1 24  ? -1.895  -0.093  16.688  1.000 19.897 0 135 LEU   A HD22  1 c 
ATOM   411  H  HD23  . LEU   A 1 24  ? -2.670  -1.478  16.693  1.000 19.787 0 135 LEU   A HD23  1 c 
ATOM   412  N  N     . GLY   A 1 25  ? -2.267  3.147   13.345  1.000 15.200 0 136 GLY   A N     1 ? 
ATOM   413  C  CA    . GLY   A 1 25  ? -1.724  4.434   12.969  1.000 16.839 0 136 GLY   A CA    1 ? 
ATOM   414  C  C     . GLY   A 1 25  ? -2.163  5.511   13.940  1.000 17.040 0 136 GLY   A C     1 ? 
ATOM   415  O  O     . GLY   A 1 25  ? -2.690  5.201   14.993  1.000 18.687 0 136 GLY   A O     1 ? 
ATOM   416  H  H     . GLY   A 1 25  ? -2.865  3.100   14.034  1.000 15.160 0 136 GLY   A H     1 c 
ATOM   417  H  HA2   . GLY   A 1 25  ? -0.740  4.381   12.956  1.000 16.488 0 136 GLY   A HA2   1 c 
ATOM   418  H  HA3   . GLY   A 1 25  ? -2.031  4.661   12.061  1.000 16.622 0 136 GLY   A HA3   1 c 
ATOM   419  N  N     . THR   A 1 26  ? -1.948  6.758   13.539  1.000 16.504 0 137 THR   A N     1 ? 
ATOM   420  C  CA    . THR   A 1 26  ? -2.365  7.911   14.314  1.000 16.785 0 137 THR   A CA    1 ? 
ATOM   421  C  C     . THR   A 1 26  ? -3.157  8.838   13.405  1.000 16.256 0 137 THR   A C     1 ? 
ATOM   422  O  O     . THR   A 1 26  ? -2.746  9.080   12.273  1.000 16.824 0 137 THR   A O     1 ? 
ATOM   423  C  CB    . THR   A 1 26  ? -1.143  8.608   14.912  1.000 18.514 0 137 THR   A CB    1 ? 
ATOM   424  O  OG1   . THR   A 1 26  ? -0.478  7.665   15.747  1.000 20.213 0 137 THR   A OG1   1 ? 
ATOM   425  C  CG2   . THR   A 1 26  ? -1.500  9.841   15.720  1.000 18.081 0 137 THR   A CG2   1 ? 
ATOM   426  H  H     . THR   A 1 26  ? -1.523  6.898   12.742  1.000 16.537 0 137 THR   A H     1 c 
ATOM   427  H  HA    . THR   A 1 26  ? -2.944  7.610   15.045  1.000 16.897 0 137 THR   A HA    1 c 
ATOM   428  H  HB    . THR   A 1 26  ? -0.533  8.875   14.183  1.000 18.386 0 137 THR   A HB    1 c 
ATOM   429  H  HG1   . THR   A 1 26  ? -0.970  7.398   16.376  0.000 21.081 0 137 THR   A HG1   1 c 
ATOM   430  H  HG21  . THR   A 1 26  ? -0.691  10.227  16.096  1.000 18.145 0 137 THR   A HG21  1 c 
ATOM   431  H  HG22  . THR   A 1 26  ? -2.103  9.593   16.440  1.000 18.130 0 137 THR   A HG22  1 c 
ATOM   432  H  HG23  . THR   A 1 26  ? -1.933  10.495  15.146  1.000 18.135 0 137 THR   A HG23  1 c 
ATOM   433  N  N     . VAL   A 1 27  ? -4.313  9.310   13.864  1.000 15.697 0 138 VAL   A N     1 ? 
ATOM   434  C  CA    . VAL   A 1 27  ? -5.090  10.278  13.101  1.000 16.777 0 138 VAL   A CA    1 ? 
ATOM   435  C  C     . VAL   A 1 27  ? -4.357  11.620  13.082  1.000 17.538 0 138 VAL   A C     1 ? 
ATOM   436  O  O     . VAL   A 1 27  ? -3.864  12.079  14.107  1.000 18.716 0 138 VAL   A O     1 ? 
ATOM   437  C  CB    . VAL   A 1 27  ? -6.520  10.408  13.657  1.000 17.265 0 138 VAL   A CB    1 ? 
ATOM   438  C  CG1   . VAL   A 1 27  ? -7.342  11.407  12.852  1.000 18.004 0 138 VAL   A CG1   1 ? 
ATOM   439  C  CG2   . VAL   A 1 27  ? -7.237  9.068   13.694  1.000 18.663 0 138 VAL   A CG2   1 ? 
ATOM   440  H  H     . VAL   A 1 27  ? -4.624  9.033   14.677  1.000 15.888 0 138 VAL   A H     1 c 
ATOM   441  H  HA    . VAL   A 1 27  ? -5.156  9.953   12.182  1.000 16.766 0 138 VAL   A HA    1 c 
ATOM   442  H  HB    . VAL   A 1 27  ? -6.445  10.742  14.581  1.000 17.276 0 138 VAL   A HB    1 c 
ATOM   443  H  HG11  . VAL   A 1 27  ? -7.365  11.131  11.920  1.000 17.948 0 138 VAL   A HG11  1 c 
ATOM   444  H  HG12  . VAL   A 1 27  ? -6.941  12.288  12.918  1.000 17.877 0 138 VAL   A HG12  1 c 
ATOM   445  H  HG13  . VAL   A 1 27  ? -8.248  11.438  13.202  1.000 17.854 0 138 VAL   A HG13  1 c 
ATOM   446  H  HG21  . VAL   A 1 27  ? -8.144  9.195   14.021  1.000 18.317 0 138 VAL   A HG21  1 c 
ATOM   447  H  HG22  . VAL   A 1 27  ? -6.764  8.462   14.285  1.000 18.358 0 138 VAL   A HG22  1 c 
ATOM   448  H  HG23  . VAL   A 1 27  ? -7.267  8.691   12.799  1.000 18.572 0 138 VAL   A HG23  1 c 
ATOM   449  N  N     . LYS   A 1 28  ? -4.283  12.258  11.913  1.000 18.355 0 139 LYS   A N     1 ? 
ATOM   450  C  CA    . LYS   A 1 28  ? -3.652  13.568  11.813  1.000 20.503 0 139 LYS   A CA    1 ? 
ATOM   451  C  C     . LYS   A 1 28  ? -4.432  14.596  12.632  1.000 21.364 0 139 LYS   A C     1 ? 
ATOM   452  O  O     . LYS   A 1 28  ? -5.627  14.442  12.859  1.000 22.328 0 139 LYS   A O     1 ? 
ATOM   453  C  CB    . LYS   A 1 28  ? -3.555  14.016  10.351  1.000 21.972 0 139 LYS   A CB    1 ? 
ATOM   454  C  CG    . LYS   A 1 28  ? -2.559  13.221  9.538   1.000 24.182 0 139 LYS   A CG    1 ? 
ATOM   455  C  CD    . LYS   A 1 28  ? -2.409  13.734  8.114   1.000 26.783 0 139 LYS   A CD    1 ? 
ATOM   456  C  CE    . LYS   A 1 28  ? -1.055  14.288  7.801   1.000 31.483 0 139 LYS   A CE    1 ? 
ATOM   457  N  NZ    . LYS   A 1 28  ? -0.097  13.199  7.573   1.000 34.748 0 139 LYS   A NZ    1 ? 
ATOM   458  H  H     . LYS   A 1 28  ? -4.630  11.872  11.160  1.000 18.483 0 139 LYS   A H     1 c 
ATOM   459  H  HA    . LYS   A 1 28  ? -2.736  13.495  12.181  1.000 20.386 0 139 LYS   A HA    1 c 
ATOM   460  H  HB2   . LYS   A 1 28  ? -4.439  13.931  9.933   1.000 21.962 0 139 LYS   A HB2   1 c 
ATOM   461  H  HB3   . LYS   A 1 28  ? -3.300  14.962  10.321  1.000 22.058 0 139 LYS   A HB3   1 c 
ATOM   462  H  HG2   . LYS   A 1 28  ? -1.686  13.258  9.987   1.000 24.098 0 139 LYS   A HG2   1 c 
ATOM   463  H  HG3   . LYS   A 1 28  ? -2.848  12.283  9.514   1.000 24.027 0 139 LYS   A HG3   1 c 
ATOM   464  H  HD2   . LYS   A 1 28  ? -2.602  12.999  7.492   1.000 26.896 0 139 LYS   A HD2   1 c 
ATOM   465  H  HD3   . LYS   A 1 28  ? -3.080  14.434  7.958   1.000 26.867 0 139 LYS   A HD3   1 c 
ATOM   466  H  HE2   . LYS   A 1 28  ? -1.106  14.839  6.999   1.000 31.271 0 139 LYS   A HE2   1 c 
ATOM   467  H  HE3   . LYS   A 1 28  ? -0.743  14.844  8.537   1.000 31.064 0 139 LYS   A HE3   1 c 
ATOM   468  H  HZ1   . LYS   A 1 28  ? -0.370  12.689  6.876   1.000 34.141 0 139 LYS   A HZ1   1 c 
ATOM   469  H  HZ2   . LYS   A 1 28  ? -0.035  12.682  8.315   1.000 34.141 0 139 LYS   A HZ2   1 c 
ATOM   470  H  HZ3   . LYS   A 1 28  ? 0.719   13.545  7.384   1.000 34.104 0 139 LYS   A HZ3   1 c 
ATOM   471  N  N     . PRO   A 1 29  ? -3.780  15.690  13.084  1.000 23.554 0 140 PRO   A N     1 ? 
ATOM   472  C  CA    . PRO   A 1 29  ? -4.457  16.700  13.901  1.000 25.293 0 140 PRO   A CA    1 ? 
ATOM   473  C  C     . PRO   A 1 29  ? -5.640  17.416  13.244  1.000 25.596 0 140 PRO   A C     1 ? 
ATOM   474  O  O     . PRO   A 1 29  ? -6.582  17.776  13.944  1.000 28.642 0 140 PRO   A O     1 ? 
ATOM   475  C  CB    . PRO   A 1 29  ? -3.366  17.715  14.301  1.000 26.589 0 140 PRO   A CB    1 ? 
ATOM   476  C  CG    . PRO   A 1 29  ? -2.080  17.251  13.647  1.000 27.153 0 140 PRO   A CG    1 ? 
ATOM   477  C  CD    . PRO   A 1 29  ? -2.358  15.989  12.856  1.000 24.685 0 140 PRO   A CD    1 ? 
ATOM   478  H  HA    . PRO   A 1 29  ? -4.781  16.246  14.719  1.000 25.259 0 140 PRO   A HA    1 c 
ATOM   479  H  HB2   . PRO   A 1 29  ? -3.603  18.621  13.989  1.000 26.501 0 140 PRO   A HB2   1 c 
ATOM   480  H  HB3   . PRO   A 1 29  ? -3.264  17.745  15.281  1.000 26.549 0 140 PRO   A HB3   1 c 
ATOM   481  H  HG2   . PRO   A 1 29  ? -1.733  17.948  13.052  1.000 26.769 0 140 PRO   A HG2   1 c 
ATOM   482  H  HG3   . PRO   A 1 29  ? -1.402  17.071  14.332  1.000 26.730 0 140 PRO   A HG3   1 c 
ATOM   483  H  HD2   . PRO   A 1 29  ? -2.180  16.133  11.901  1.000 24.679 0 140 PRO   A HD2   1 c 
ATOM   484  H  HD3   . PRO   A 1 29  ? -1.791  15.252  13.173  1.000 24.691 0 140 PRO   A HD3   1 c 
ATOM   485  N  N     . ASN   A 1 30  ? -5.590  17.650  11.923  1.000 26.057 0 141 ASN   A N     1 ? 
ATOM   486  C  CA    . ASN   A 1 30  ? -6.683  18.352  11.258  1.000 27.889 0 141 ASN   A CA    1 ? 
ATOM   487  C  C     . ASN   A 1 30  ? -7.375  17.409  10.270  1.000 26.186 0 141 ASN   A C     1 ? 
ATOM   488  O  O     . ASN   A 1 30  ? -7.739  17.816  9.163   1.000 26.670 0 141 ASN   A O     1 ? 
ATOM   489  C  CB    . ASN   A 1 30  ? -6.211  19.636  10.577  1.000 31.606 0 141 ASN   A CB    1 ? 
ATOM   490  C  CG    . ASN   A 1 30  ? -5.560  20.611  11.532  1.000 33.944 0 141 ASN   A CG    1 ? 
ATOM   491  O  OD1   . ASN   A 1 30  ? -4.484  21.140  11.236  1.000 39.369 0 141 ASN   A OD1   1 ? 
ATOM   492  N  ND2   . ASN   A 1 30  ? -6.194  20.888  12.662  1.000 36.487 0 141 ASN   A ND2   1 ? 
ATOM   493  H  H     . ASN   A 1 30  ? -4.870  17.376  11.432  1.000 26.282 0 141 ASN   A H     1 c 
ATOM   494  H  HA    . ASN   A 1 30  ? -7.343  18.610  11.938  1.000 27.792 0 141 ASN   A HA    1 c 
ATOM   495  H  HB2   . ASN   A 1 30  ? -5.572  19.407  9.874   1.000 31.424 0 141 ASN   A HB2   1 c 
ATOM   496  H  HB3   . ASN   A 1 30  ? -6.977  20.074  10.155  1.000 31.251 0 141 ASN   A HB3   1 c 
ATOM   497  H  HD21  . ASN   A 1 30  ? -7.022  20.602  12.796  1.000 35.805 0 141 ASN   A HD21  1 c 
ATOM   498  H  HD22  . ASN   A 1 30  ? -5.786  21.366  13.289  1.000 36.001 0 141 ASN   A HD22  1 c 
ATOM   499  N  N     . ALA   A 1 31  ? -7.567  16.150  10.688  1.000 24.575 0 142 ALA   A N     1 ? 
ATOM   500  C  CA    . ALA   A 1 31  ? -8.086  15.095  9.827   1.000 22.300 0 142 ALA   A CA    1 ? 
ATOM   501  C  C     . ALA   A 1 31  ? -9.501  15.423  9.360   1.000 20.985 0 142 ALA   A C     1 ? 
ATOM   502  O  O     . ALA   A 1 31  ? -10.308 15.948  10.127  1.000 21.494 0 142 ALA   A O     1 ? 
ATOM   503  C  CB    . ALA   A 1 31  ? -8.070  13.757  10.534  1.000 22.978 0 142 ALA   A CB    1 ? 
ATOM   504  H  H     . ALA   A 1 31  ? -7.374  15.943  11.557  1.000 24.433 0 142 ALA   A H     1 c 
ATOM   505  H  HA    . ALA   A 1 31  ? -7.497  15.041  9.025   1.000 22.332 0 142 ALA   A HA    1 c 
ATOM   506  H  HB1   . ALA   A 1 31  ? -7.160  13.532  10.789  1.000 22.821 0 142 ALA   A HB1   1 c 
ATOM   507  H  HB2   . ALA   A 1 31  ? -8.625  13.801  11.330  1.000 22.875 0 142 ALA   A HB2   1 c 
ATOM   508  H  HB3   . ALA   A 1 31  ? -8.416  13.069  9.940   1.000 22.875 0 142 ALA   A HB3   1 c 
ATOM   509  N  N     A ASN   A 1 32  ? -9.780  15.079  8.102   0.500 19.560 0 143 ASN   A N     1 ? 
ATOM   510  N  N     B ASN   A 1 32  ? -9.774  15.097  8.088   0.500 20.225 0 143 ASN   A N     1 ? 
ATOM   511  C  CA    A ASN   A 1 32  ? -11.104 15.235  7.532   0.500 18.517 0 143 ASN   A CA    1 ? 
ATOM   512  C  CA    B ASN   A 1 32  ? -11.090 15.249  7.485   0.500 19.452 0 143 ASN   A CA    1 ? 
ATOM   513  C  C     A ASN   A 1 32  ? -11.708 13.871  7.190   0.500 17.609 0 143 ASN   A C     1 ? 
ATOM   514  C  C     B ASN   A 1 32  ? -11.706 13.888  7.159   0.500 18.304 0 143 ASN   A C     1 ? 
ATOM   515  O  O     A ASN   A 1 32  ? -12.913 13.676  7.344   0.500 17.217 0 143 ASN   A O     1 ? 
ATOM   516  O  O     B ASN   A 1 32  ? -12.922 13.722  7.258   0.500 18.062 0 143 ASN   A O     1 ? 
ATOM   517  C  CB    A ASN   A 1 32  ? -11.046 16.141  6.310   0.500 19.627 0 143 ASN   A CB    1 ? 
ATOM   518  C  CB    B ASN   A 1 32  ? -11.017 16.051  6.190   0.500 21.110 0 143 ASN   A CB    1 ? 
ATOM   519  C  CG    A ASN   A 1 32  ? -12.393 16.261  5.648   0.500 20.571 0 143 ASN   A CG    1 ? 
ATOM   520  C  CG    B ASN   A 1 32  ? -12.065 17.135  6.139   0.500 23.195 0 143 ASN   A CG    1 ? 
ATOM   521  O  OD1   A ASN   A 1 32  ? -13.332 16.798  6.244   0.500 22.025 0 143 ASN   A OD1   1 ? 
ATOM   522  O  OD1   B ASN   A 1 32  ? -12.769 17.278  5.132   0.500 26.275 0 143 ASN   A OD1   1 ? 
ATOM   523  N  ND2   A ASN   A 1 32  ? -12.509 15.753  4.432   0.500 21.989 0 143 ASN   A ND2   1 ? 
ATOM   524  N  ND2   B ASN   A 1 32  ? -12.167 17.909  7.209   0.500 24.165 0 143 ASN   A ND2   1 ? 
ATOM   525  H  H     A ASN   A 1 32  ? -9.111  14.752  7.574   0.500 19.558 0 143 ASN   A H     1 c 
ATOM   526  H  H     B ASN   A 1 32  ? -9.094  14.781  7.566   0.500 20.167 0 143 ASN   A H     1 c 
ATOM   527  H  HA    A ASN   A 1 32  ? -11.683 15.672  8.196   0.500 18.618 0 143 ASN   A HA    1 c 
ATOM   528  H  HA    B ASN   A 1 32  ? -11.679 15.729  8.111   0.500 19.539 0 143 ASN   A HA    1 c 
ATOM   529  H  HB2   A ASN   A 1 32  ? -10.739 17.029  6.581   0.500 19.596 0 143 ASN   A HB2   1 c 
ATOM   530  H  HB2   B ASN   A 1 32  ? -10.130 16.454  6.108   0.500 21.088 0 143 ASN   A HB2   1 c 
ATOM   531  H  HB3   A ASN   A 1 32  ? -10.401 15.779  5.669   0.500 19.585 0 143 ASN   A HB3   1 c 
ATOM   532  H  HB3   B ASN   A 1 32  ? -11.147 15.446  5.431   0.500 21.104 0 143 ASN   A HB3   1 c 
ATOM   533  H  HD21  A ASN   A 1 32  ? -11.811 15.363  4.048   0.500 21.714 0 143 ASN   A HD21  1 c 
ATOM   534  H  HD21  B ASN   A 1 32  ? -11.663 17.747  7.921   0.500 23.945 0 143 ASN   A HD21  1 c 
ATOM   535  H  HD22  A ASN   A 1 32  ? -13.283 15.805  4.003   0.500 21.675 0 143 ASN   A HD22  1 c 
ATOM   536  H  HD22  B ASN   A 1 32  ? -12.737 18.589  7.212   0.500 23.987 0 143 ASN   A HD22  1 c 
ATOM   537  N  N     . ARG   A 1 33  ? -10.878 12.932  6.718   1.000 17.155 0 144 ARG   A N     1 ? 
ATOM   538  C  CA    . ARG   A 1 33  ? -11.382 11.674  6.182   1.000 17.372 0 144 ARG   A CA    1 ? 
ATOM   539  C  C     . ARG   A 1 33  ? -10.329 10.574  6.301   1.000 16.161 0 144 ARG   A C     1 ? 
ATOM   540  O  O     . ARG   A 1 33  ? -9.125  10.848  6.259   1.000 16.942 0 144 ARG   A O     1 ? 
ATOM   541  C  CB    . ARG   A 1 33  ? -11.808 11.857  4.719   1.000 17.996 0 144 ARG   A CB    1 ? 
ATOM   542  C  CG    . ARG   A 1 33  ? -10.640 12.230  3.820   1.000 18.426 0 144 ARG   A CG    1 ? 
ATOM   543  C  CD    . ARG   A 1 33  ? -11.056 12.545  2.389   1.000 19.610 0 144 ARG   A CD    1 ? 
ATOM   544  N  NE    . ARG   A 1 33  ? -9.870  12.625  1.529   1.000 21.159 0 144 ARG   A NE    1 ? 
ATOM   545  C  CZ    . ARG   A 1 33  ? -9.871  12.592  0.199   1.000 22.588 0 144 ARG   A CZ    1 ? 
ATOM   546  N  NH1   . ARG   A 1 33  ? -11.015 12.545  -0.468  1.000 23.806 0 144 ARG   A NH1   1 ? 
ATOM   547  N  NH2   . ARG   A 1 33  ? -8.727  12.630  -0.476  1.000 24.355 0 144 ARG   A NH2   1 ? 
ATOM   548  H  H     . ARG   A 1 33  ? -9.976  13.071  6.735   1.000 17.423 0 144 ARG   A H     1 c 
ATOM   549  H  HA    . ARG   A 1 33  ? -12.174 11.404  6.710   1.000 17.223 0 144 ARG   A HA    1 c 
ATOM   550  H  HB2   . ARG   A 1 33  ? -12.210 11.023  4.395   1.000 17.921 0 144 ARG   A HB2   1 c 
ATOM   551  H  HB3   . ARG   A 1 33  ? -12.490 12.561  4.669   1.000 17.934 0 144 ARG   A HB3   1 c 
ATOM   552  H  HG2   . ARG   A 1 33  ? -10.182 13.014  4.195   1.000 18.501 0 144 ARG   A HG2   1 c 
ATOM   553  H  HG3   . ARG   A 1 33  ? -9.997  11.489  3.803   1.000 18.513 0 144 ARG   A HG3   1 c 
ATOM   554  H  HD2   . ARG   A 1 33  ? -11.655 11.845  2.058   1.000 19.652 0 144 ARG   A HD2   1 c 
ATOM   555  H  HD3   . ARG   A 1 33  ? -11.536 13.398  2.363   1.000 19.644 0 144 ARG   A HD3   1 c 
ATOM   556  H  HE    . ARG   A 1 33  ? -9.095  12.701  1.921   1.000 21.045 0 144 ARG   A HE    1 c 
ATOM   557  H  HH11  . ARG   A 1 33  ? -11.018 12.278  -1.314  1.000 23.552 0 144 ARG   A HH11  1 c 
ATOM   558  H  HH12  . ARG   A 1 33  ? -11.772 12.782  -0.076  1.000 23.479 0 144 ARG   A HH12  1 c 
ATOM   559  H  HH21  . ARG   A 1 33  ? -8.735  12.608  -1.360  1.000 24.010 0 144 ARG   A HH21  1 c 
ATOM   560  H  HH22  . ARG   A 1 33  ? -7.959  12.677  -0.040  1.000 23.920 0 144 ARG   A HH22  1 c 
ATOM   561  N  N     . ILE   A 1 34  ? -10.825 9.336   6.436   1.000 14.438 0 145 ILE   A N     1 ? 
ATOM   562  C  CA    . ILE   A 1 34  ? -10.034 8.115   6.357   1.000 14.471 0 145 ILE   A CA    1 ? 
ATOM   563  C  C     . ILE   A 1 34  ? -10.808 7.134   5.479   1.000 13.398 0 145 ILE   A C     1 ? 
ATOM   564  O  O     . ILE   A 1 34  ? -12.036 7.126   5.524   1.000 13.576 0 145 ILE   A O     1 ? 
ATOM   565  C  CB    . ILE   A 1 34  ? -9.782  7.525   7.757   1.000 15.443 0 145 ILE   A CB    1 ? 
ATOM   566  C  CG1   . ILE   A 1 34  ? -9.084  8.527   8.665   1.000 17.020 0 145 ILE   A CG1   1 ? 
ATOM   567  C  CG2   . ILE   A 1 34  ? -9.019  6.200   7.680   1.000 16.417 0 145 ILE   A CG2   1 ? 
ATOM   568  C  CD1   . ILE   A 1 34  ? -9.046  8.106   10.122  1.000 17.311 0 145 ILE   A CD1   1 ? 
ATOM   569  H  H     . ILE   A 1 34  ? -11.722 9.252   6.590   1.000 14.780 0 145 ILE   A H     1 c 
ATOM   570  H  HA    . ILE   A 1 34  ? -9.176  8.317   5.935   1.000 14.394 0 145 ILE   A HA    1 c 
ATOM   571  H  HB    . ILE   A 1 34  ? -10.656 7.336   8.153   1.000 15.627 0 145 ILE   A HB    1 c 
ATOM   572  H  HG12  . ILE   A 1 34  ? -8.167  8.653   8.348   1.000 16.761 0 145 ILE   A HG12  1 c 
ATOM   573  H  HG13  . ILE   A 1 34  ? -9.545  9.387   8.601   1.000 16.749 0 145 ILE   A HG13  1 c 
ATOM   574  H  HG21  . ILE   A 1 34  ? -8.865  5.858   8.576   1.000 16.185 0 145 ILE   A HG21  1 c 
ATOM   575  H  HG22  . ILE   A 1 34  ? -8.164  6.342   7.240   1.000 16.204 0 145 ILE   A HG22  1 c 
ATOM   576  H  HG23  . ILE   A 1 34  ? -9.537  5.551   7.176   1.000 16.218 0 145 ILE   A HG23  1 c 
ATOM   577  H  HD11  . ILE   A 1 34  ? -9.958  7.968   10.443  1.000 17.270 0 145 ILE   A HD11  1 c 
ATOM   578  H  HD12  . ILE   A 1 34  ? -8.621  8.806   10.652  1.000 17.233 0 145 ILE   A HD12  1 c 
ATOM   579  H  HD13  . ILE   A 1 34  ? -8.541  7.277   10.220  1.000 17.285 0 145 ILE   A HD13  1 c 
ATOM   580  N  N     . ALA   A 1 35  ? -10.108 6.301   4.700   1.000 13.492 0 146 ALA   A N     1 ? 
ATOM   581  C  CA    . ALA   A 1 35  ? -10.796 5.227   4.006   1.000 13.406 0 146 ALA   A CA    1 ? 
ATOM   582  C  C     . ALA   A 1 35  ? -9.971  3.947   3.998   1.000 12.960 0 146 ALA   A C     1 ? 
ATOM   583  O  O     . ALA   A 1 35  ? -8.773  3.961   3.699   1.000 14.386 0 146 ALA   A O     1 ? 
ATOM   584  C  CB    . ALA   A 1 35  ? -11.151 5.641   2.604   1.000 14.144 0 146 ALA   A CB    1 ? 
ATOM   585  H  H     . ALA   A 1 35  ? -9.205  6.399   4.600   1.000 13.444 0 146 ALA   A H     1 c 
ATOM   586  H  HA    . ALA   A 1 35  ? -11.639 5.040   4.499   1.000 13.259 0 146 ALA   A HA    1 c 
ATOM   587  H  HB1   . ALA   A 1 35  ? -11.743 6.411   2.630   1.000 13.976 0 146 ALA   A HB1   1 c 
ATOM   588  H  HB2   . ALA   A 1 35  ? -10.343 5.873   2.117   1.000 14.034 0 146 ALA   A HB2   1 c 
ATOM   589  H  HB3   . ALA   A 1 35  ? -11.600 4.907   2.151   1.000 13.987 0 146 ALA   A HB3   1 c 
ATOM   590  N  N     . LEU   A 1 36  ? -10.685 2.842   4.213   1.000 13.072 0 147 LEU   A N     1 ? 
ATOM   591  C  CA    . LEU   A 1 36  ? -10.227 1.499   3.910   1.000 13.162 0 147 LEU   A CA    1 ? 
ATOM   592  C  C     . LEU   A 1 36  ? -11.064 0.995   2.741   1.000 12.785 0 147 LEU   A C     1 ? 
ATOM   593  O  O     . LEU   A 1 36  ? -12.290 1.061   2.788   1.000 13.571 0 147 LEU   A O     1 ? 
ATOM   594  C  CB    . LEU   A 1 36  ? -10.397 0.523   5.072   1.000 13.650 0 147 LEU   A CB    1 ? 
ATOM   595  C  CG    . LEU   A 1 36  ? -9.691  0.874   6.378   1.000 16.145 0 147 LEU   A CG    1 ? 
ATOM   596  C  CD1   . LEU   A 1 36  ? -9.894  -0.250  7.379   1.000 17.378 0 147 LEU   A CD1   1 ? 
ATOM   597  C  CD2   . LEU   A 1 36  ? -8.229  1.157   6.199   1.000 17.685 0 147 LEU   A CD2   1 ? 
ATOM   598  H  H     . LEU   A 1 36  ? -11.516 2.934   4.582   1.000 13.048 0 147 LEU   A H     1 c 
ATOM   599  H  HA    . LEU   A 1 36  ? -9.276  1.536   3.643   1.000 13.127 0 147 LEU   A HA    1 c 
ATOM   600  H  HB2   . LEU   A 1 36  ? -11.359 0.434   5.257   1.000 13.670 0 147 LEU   A HB2   1 c 
ATOM   601  H  HB3   . LEU   A 1 36  ? -10.077 -0.361  4.778   1.000 13.687 0 147 LEU   A HB3   1 c 
ATOM   602  H  HG    . LEU   A 1 36  ? -10.116 1.692   6.746   1.000 16.042 0 147 LEU   A HG    1 c 
ATOM   603  H  HD11  . LEU   A 1 36  ? -10.845 -0.381  7.532   1.000 17.098 0 147 LEU   A HD11  1 c 
ATOM   604  H  HD12  . LEU   A 1 36  ? -9.461  -0.020  8.218   1.000 17.208 0 147 LEU   A HD12  1 c 
ATOM   605  H  HD13  . LEU   A 1 36  ? -9.507  -1.070  7.030   1.000 17.124 0 147 LEU   A HD13  1 c 
ATOM   606  H  HD21  . LEU   A 1 36  ? -8.114  1.930   5.622   1.000 17.275 0 147 LEU   A HD21  1 c 
ATOM   607  H  HD22  . LEU   A 1 36  ? -7.796  0.386   5.797   1.000 17.350 0 147 LEU   A HD22  1 c 
ATOM   608  H  HD23  . LEU   A 1 36  ? -7.825  1.339   7.065   1.000 17.454 0 147 LEU   A HD23  1 c 
ATOM   609  N  N     . ASP   A 1 37  ? -10.394 0.437   1.726   1.000 13.298 0 148 ASP   A N     1 ? 
ATOM   610  C  CA    . ASP   A 1 37  ? -11.052 -0.092  0.538   1.000 13.391 0 148 ASP   A CA    1 ? 
ATOM   611  C  C     . ASP   A 1 37  ? -10.612 -1.532  0.298   1.000 13.629 0 148 ASP   A C     1 ? 
ATOM   612  O  O     . ASP   A 1 37  ? -9.510  -1.755  -0.215  1.000 13.336 0 148 ASP   A O     1 ? 
ATOM   613  C  CB    . ASP   A 1 37  ? -10.756 0.763   -0.685  1.000 13.992 0 148 ASP   A CB    1 ? 
ATOM   614  C  CG    . ASP   A 1 37  ? -11.441 2.118   -0.643  1.000 15.125 0 148 ASP   A CG    1 ? 
ATOM   615  O  OD1   . ASP   A 1 37  ? -12.657 2.155   -0.908  1.000 16.831 0 148 ASP   A OD1   1 ? 
ATOM   616  O  OD2   . ASP   A 1 37  ? -10.773 3.114   -0.290  1.000 18.728 0 148 ASP   A OD2   1 ? 
ATOM   617  H  H     . ASP   A 1 37  ? -9.484  0.382   1.779   1.000 13.191 0 148 ASP   A H     1 c 
ATOM   618  H  HA    . ASP   A 1 37  ? -12.025 -0.080  0.685   1.000 13.446 0 148 ASP   A HA    1 c 
ATOM   619  H  HB2   . ASP   A 1 37  ? -9.788  0.903   -0.751  1.000 13.879 0 148 ASP   A HB2   1 c 
ATOM   620  H  HB3   . ASP   A 1 37  ? -11.051 0.290   -1.491  1.000 13.862 0 148 ASP   A HB3   1 c 
ATOM   621  N  N     . PHE   A 1 38  ? -11.487 -2.484  0.635   1.000 14.210 0 149 PHE   A N     1 ? 
ATOM   622  C  CA    . PHE   A 1 38  ? -11.266 -3.887  0.321   1.000 13.877 0 149 PHE   A CA    1 ? 
ATOM   623  C  C     . PHE   A 1 38  ? -11.734 -4.113  -1.116  1.000 13.347 0 149 PHE   A C     1 ? 
ATOM   624  O  O     . PHE   A 1 38  ? -12.931 -4.018  -1.353  1.000 13.803 0 149 PHE   A O     1 ? 
ATOM   625  C  CB    . PHE   A 1 38  ? -12.009 -4.816  1.286   1.000 14.336 0 149 PHE   A CB    1 ? 
ATOM   626  C  CG    . PHE   A 1 38  ? -11.424 -4.836  2.689   1.000 15.975 0 149 PHE   A CG    1 ? 
ATOM   627  C  CD1   . PHE   A 1 38  ? -11.777 -3.870  3.638   1.000 16.762 0 149 PHE   A CD1   1 ? 
ATOM   628  C  CD2   . PHE   A 1 38  ? -10.483 -5.797  3.047   1.000 16.632 0 149 PHE   A CD2   1 ? 
ATOM   629  C  CE1   . PHE   A 1 38  ? -11.239 -3.894  4.922   1.000 17.919 0 149 PHE   A CE1   1 ? 
ATOM   630  C  CE2   . PHE   A 1 38  ? -9.950  -5.815  4.333   1.000 17.781 0 149 PHE   A CE2   1 ? 
ATOM   631  C  CZ    . PHE   A 1 38  ? -10.327 -4.863  5.250   1.000 18.259 0 149 PHE   A CZ    1 ? 
ATOM   632  H  H     . PHE   A 1 38  ? -12.249 -2.250  1.082   1.000 13.972 0 149 PHE   A H     1 c 
ATOM   633  H  HA    . PHE   A 1 38  ? -10.293 -4.079  0.380   1.000 13.880 0 149 PHE   A HA    1 c 
ATOM   634  H  HB2   . PHE   A 1 38  ? -12.947 -4.530  1.336   1.000 14.478 0 149 PHE   A HB2   1 c 
ATOM   635  H  HB3   . PHE   A 1 38  ? -11.990 -5.728  0.921   1.000 14.442 0 149 PHE   A HB3   1 c 
ATOM   636  H  HD1   . PHE   A 1 38  ? -12.408 -3.206  3.410   1.000 16.766 0 149 PHE   A HD1   1 c 
ATOM   637  H  HD2   . PHE   A 1 38  ? -10.227 -6.456  2.422   1.000 16.604 0 149 PHE   A HD2   1 c 
ATOM   638  H  HE1   . PHE   A 1 38  ? -11.491 -3.241  5.556   1.000 17.569 0 149 PHE   A HE1   1 c 
ATOM   639  H  HE2   . PHE   A 1 38  ? -9.321  -6.477  4.572   1.000 17.590 0 149 PHE   A HE2   1 c 
ATOM   640  H  HZ    . PHE   A 1 38  ? -9.954  -4.879  6.117   1.000 17.914 0 149 PHE   A HZ    1 c 
ATOM   641  N  N     . GLN   A 1 39  ? -10.798 -4.412  -2.039  1.000 13.450 0 150 GLN   A N     1 ? 
ATOM   642  C  CA    . GLN   A 1 39  ? -11.096 -4.403  -3.473  1.000 14.235 0 150 GLN   A CA    1 ? 
ATOM   643  C  C     . GLN   A 1 39  ? -11.060 -5.806  -4.053  1.000 14.366 0 150 GLN   A C     1 ? 
ATOM   644  O  O     . GLN   A 1 39  ? -10.153 -6.583  -3.769  1.000 15.773 0 150 GLN   A O     1 ? 
ATOM   645  C  CB    . GLN   A 1 39  ? -10.162 -3.484  -4.257  1.000 15.427 0 150 GLN   A CB    1 ? 
ATOM   646  C  CG    . GLN   A 1 39  ? -10.330 -2.032  -3.833  1.000 17.138 0 150 GLN   A CG    1 ? 
ATOM   647  C  CD    . GLN   A 1 39  ? -10.161 -0.948  -4.872  1.000 19.435 0 150 GLN   A CD    1 ? 
ATOM   648  O  OE1   . GLN   A 1 39  ? -9.898  0.200   -4.497  1.000 24.206 0 150 GLN   A OE1   1 ? 
ATOM   649  N  NE2   . GLN   A 1 39  ? -10.347 -1.241  -6.154  1.000 20.834 0 150 GLN   A NE2   1 ? 
ATOM   650  H  H     . GLN   A 1 39  ? -9.953  -4.628  -1.767  1.000 13.536 0 150 GLN   A H     1 c 
ATOM   651  H  HA    . GLN   A 1 39  ? -12.013 -4.050  -3.586  1.000 14.200 0 150 GLN   A HA    1 c 
ATOM   652  H  HB2   . GLN   A 1 39  ? -9.235  -3.762  -4.104  1.000 15.190 0 150 GLN   A HB2   1 c 
ATOM   653  H  HB3   . GLN   A 1 39  ? -10.351 -3.574  -5.211  1.000 15.495 0 150 GLN   A HB3   1 c 
ATOM   654  H  HG2   . GLN   A 1 39  ? -11.226 -1.922  -3.447  1.000 17.073 0 150 GLN   A HG2   1 c 
ATOM   655  H  HG3   . GLN   A 1 39  ? -9.688  -1.844  -3.115  1.000 17.120 0 150 GLN   A HG3   1 c 
ATOM   656  H  HE21  . GLN   A 1 39  ? -10.826 -1.950  -6.392  1.000 20.417 0 150 GLN   A HE21  1 c 
ATOM   657  H  HE22  . GLN   A 1 39  ? -9.995  -0.714  -6.777  1.000 20.568 0 150 GLN   A HE22  1 c 
ATOM   658  N  N     . ARG   A 1 40  ? -12.003 -6.025  -4.985  1.000 14.350 0 151 ARG   A N     1 ? 
ATOM   659  C  CA    . ARG   A 1 40  ? -11.983 -7.140  -5.923  1.000 14.491 0 151 ARG   A CA    1 ? 
ATOM   660  C  C     . ARG   A 1 40  ? -11.822 -6.558  -7.329  1.000 14.141 0 151 ARG   A C     1 ? 
ATOM   661  O  O     . ARG   A 1 40  ? -12.791 -6.062  -7.906  1.000 14.741 0 151 ARG   A O     1 ? 
ATOM   662  C  CB    . ARG   A 1 40  ? -13.289 -7.928  -5.808  1.000 15.195 0 151 ARG   A CB    1 ? 
ATOM   663  C  CG    . ARG   A 1 40  ? -13.434 -9.012  -6.864  1.000 16.202 0 151 ARG   A CG    1 ? 
ATOM   664  C  CD    . ARG   A 1 40  ? -14.683 -9.846  -6.668  1.000 17.583 0 151 ARG   A CD    1 ? 
ATOM   665  N  NE    . ARG   A 1 40  ? -14.794 -10.818 -7.755  1.000 19.172 0 151 ARG   A NE    1 ? 
ATOM   666  C  CZ    . ARG   A 1 40  ? -15.605 -10.732 -8.805  1.000 20.420 0 151 ARG   A CZ    1 ? 
ATOM   667  N  NH1   . ARG   A 1 40  ? -16.530 -9.786  -8.880  1.000 20.571 0 151 ARG   A NH1   1 ? 
ATOM   668  N  NH2   . ARG   A 1 40  ? -15.490 -11.625 -9.767  1.000 22.429 0 151 ARG   A NH2   1 ? 
ATOM   669  H  H     . ARG   A 1 40  ? -12.702 -5.439  -5.035  1.000 14.334 0 151 ARG   A H     1 c 
ATOM   670  H  HA    . ARG   A 1 40  ? -11.213 -7.726  -5.715  1.000 14.504 0 151 ARG   A HA    1 c 
ATOM   671  H  HB2   . ARG   A 1 40  ? -13.333 -8.342  -4.920  1.000 15.176 0 151 ARG   A HB2   1 c 
ATOM   672  H  HB3   . ARG   A 1 40  ? -14.043 -7.305  -5.886  1.000 15.184 0 151 ARG   A HB3   1 c 
ATOM   673  H  HG2   . ARG   A 1 40  ? -13.467 -8.598  -7.754  1.000 16.092 0 151 ARG   A HG2   1 c 
ATOM   674  H  HG3   . ARG   A 1 40  ? -12.649 -9.601  -6.833  1.000 16.169 0 151 ARG   A HG3   1 c 
ATOM   675  H  HD2   . ARG   A 1 40  ? -14.630 -10.319 -5.812  1.000 17.496 0 151 ARG   A HD2   1 c 
ATOM   676  H  HD3   . ARG   A 1 40  ? -15.472 -9.270  -6.649  1.000 17.519 0 151 ARG   A HD3   1 c 
ATOM   677  H  HE    . ARG   A 1 40  ? -14.280 -11.520 -7.712  1.000 19.120 0 151 ARG   A HE    1 c 
ATOM   678  H  HH11  . ARG   A 1 40  ? -17.024 -9.719  -9.611  1.000 20.462 0 151 ARG   A HH11  1 c 
ATOM   679  H  HH12  . ARG   A 1 40  ? -16.662 -9.225  -8.214  1.000 20.464 0 151 ARG   A HH12  1 c 
ATOM   680  H  HH21  . ARG   A 1 40  ? -16.015 -11.576 -10.477 1.000 22.058 0 151 ARG   A HH21  1 c 
ATOM   681  H  HH22  . ARG   A 1 40  ? -14.890 -12.272 -9.704  1.000 21.922 0 151 ARG   A HH22  1 c 
ATOM   682  N  N     . GLY   A 1 41  ? -10.574 -6.503  -7.792  1.000 14.567 0 152 GLY   A N     1 ? 
ATOM   683  C  CA    . GLY   A 1 41  ? -10.259 -5.719  -8.980  1.000 14.793 0 152 GLY   A CA    1 ? 
ATOM   684  C  C     . GLY   A 1 41  ? -10.649 -4.259  -8.750  1.000 14.496 0 152 GLY   A C     1 ? 
ATOM   685  O  O     . GLY   A 1 41  ? -10.245 -3.639  -7.754  1.000 14.951 0 152 GLY   A O     1 ? 
ATOM   686  H  H     . GLY   A 1 41  ? -9.905  -6.960  -7.369  1.000 14.429 0 152 GLY   A H     1 c 
ATOM   687  H  HA2   . GLY   A 1 41  ? -9.293  -5.783  -9.168  1.000 14.673 0 152 GLY   A HA2   1 c 
ATOM   688  H  HA3   . GLY   A 1 41  ? -10.748 -6.084  -9.751  1.000 14.633 0 152 GLY   A HA3   1 c 
ATOM   689  N  N     . ASN   A 1 42  ? -11.462 -3.709  -9.674  1.000 15.138 0 153 ASN   A N     1 ? 
ATOM   690  C  CA    . ASN   A 1 42  ? -11.935 -2.339  -9.543  1.000 15.518 0 153 ASN   A CA    1 ? 
ATOM   691  C  C     . ASN   A 1 42  ? -13.120 -2.229  -8.581  1.000 15.279 0 153 ASN   A C     1 ? 
ATOM   692  O  O     . ASN   A 1 42  ? -13.469 -1.124  -8.181  1.000 15.505 0 153 ASN   A O     1 ? 
ATOM   693  C  CB    . ASN   A 1 42  ? -12.333 -1.757  -10.898 1.000 16.024 0 153 ASN   A CB    1 ? 
ATOM   694  C  CG    . ASN   A 1 42  ? -12.727 -0.303  -10.776 1.000 16.218 0 153 ASN   A CG    1 ? 
ATOM   695  O  OD1   . ASN   A 1 42  ? -11.893 0.528   -10.404 1.000 16.733 0 153 ASN   A OD1   1 ? 
ATOM   696  N  ND2   . ASN   A 1 42  ? -13.962 0.034   -11.123 1.000 16.250 0 153 ASN   A ND2   1 ? 
ATOM   697  H  H     . ASN   A 1 42  ? -11.723 -4.200  -10.399 1.000 14.940 0 153 ASN   A H     1 c 
ATOM   698  H  HA    . ASN   A 1 42  ? -11.198 -1.791  -9.191  1.000 15.448 0 153 ASN   A HA    1 c 
ATOM   699  H  HB2   . ASN   A 1 42  ? -11.582 -1.836  -11.518 1.000 15.838 0 153 ASN   A HB2   1 c 
ATOM   700  H  HB3   . ASN   A 1 42  ? -13.082 -2.268  -11.261 1.000 15.910 0 153 ASN   A HB3   1 c 
ATOM   701  H  HD21  . ASN   A 1 42  ? -14.526 -0.579  -11.428 1.000 16.002 0 153 ASN   A HD21  1 c 
ATOM   702  H  HD22  . ASN   A 1 42  ? -14.225 0.879   -11.051 1.000 15.960 0 153 ASN   A HD22  1 c 
ATOM   703  N  N     . ASP   A 1 43  ? -13.777 -3.342  -8.274  1.000 15.038 0 154 ASP   A N     1 ? 
ATOM   704  C  CA    . ASP   A 1 43  ? -14.900 -3.285  -7.343  1.000 15.196 0 154 ASP   A CA    1 ? 
ATOM   705  C  C     . ASP   A 1 43  ? -14.397 -3.095  -5.906  1.000 14.750 0 154 ASP   A C     1 ? 
ATOM   706  O  O     . ASP   A 1 43  ? -13.308 -3.546  -5.552  1.000 15.491 0 154 ASP   A O     1 ? 
ATOM   707  C  CB    . ASP   A 1 43  ? -15.785 -4.505  -7.512  1.000 15.791 0 154 ASP   A CB    1 ? 
ATOM   708  C  CG    . ASP   A 1 43  ? -16.723 -4.482  -8.708  1.000 15.871 0 154 ASP   A CG    1 ? 
ATOM   709  O  OD1   . ASP   A 1 43  ? -16.760 -3.447  -9.432  1.000 16.467 0 154 ASP   A OD1   1 ? 
ATOM   710  O  OD2   . ASP   A 1 43  ? -17.421 -5.501  -8.885  1.000 16.681 0 154 ASP   A OD2   1 ? 
ATOM   711  H  H     . ASP   A 1 43  ? -13.537 -4.143  -8.642  1.000 15.011 0 154 ASP   A H     1 c 
ATOM   712  H  HA    . ASP   A 1 43  ? -15.449 -2.506  -7.577  1.000 15.141 0 154 ASP   A HA    1 c 
ATOM   713  H  HB2   . ASP   A 1 43  ? -15.220 -5.301  -7.586  1.000 15.647 0 154 ASP   A HB2   1 c 
ATOM   714  H  HB3   . ASP   A 1 43  ? -16.332 -4.605  -6.705  1.000 15.560 0 154 ASP   A HB3   1 c 
ATOM   715  N  N     . VAL   A 1 44  ? -15.168 -2.338  -5.126  1.000 14.090 0 155 VAL   A N     1 ? 
ATOM   716  C  CA    . VAL   A 1 44  ? -14.866 -2.178  -3.705  1.000 13.899 0 155 VAL   A CA    1 ? 
ATOM   717  C  C     . VAL   A 1 44  ? -15.895 -2.988  -2.929  1.000 13.409 0 155 VAL   A C     1 ? 
ATOM   718  O  O     . VAL   A 1 44  ? -17.052 -2.588  -2.816  1.000 14.145 0 155 VAL   A O     1 ? 
ATOM   719  C  CB    . VAL   A 1 44  ? -14.826 -0.707  -3.276  1.000 14.013 0 155 VAL   A CB    1 ? 
ATOM   720  C  CG1   . VAL   A 1 44  ? -14.432 -0.602  -1.805  1.000 14.105 0 155 VAL   A CG1   1 ? 
ATOM   721  C  CG2   . VAL   A 1 44  ? -13.874 0.113   -4.140  1.000 14.321 0 155 VAL   A CG2   1 ? 
ATOM   722  H  H     . VAL   A 1 44  ? -15.900 -1.917  -5.475  1.000 14.181 0 155 VAL   A H     1 c 
ATOM   723  H  HA    . VAL   A 1 44  ? -13.984 -2.561  -3.535  1.000 13.867 0 155 VAL   A HA    1 c 
ATOM   724  H  HB    . VAL   A 1 44  ? -15.736 -0.342  -3.384  1.000 14.023 0 155 VAL   A HB    1 c 
ATOM   725  H  HG11  . VAL   A 1 44  ? -13.565 -1.021  -1.671  1.000 14.080 0 155 VAL   A HG11  1 c 
ATOM   726  H  HG12  . VAL   A 1 44  ? -15.096 -1.050  -1.255  1.000 14.114 0 155 VAL   A HG12  1 c 
ATOM   727  H  HG13  . VAL   A 1 44  ? -14.381 0.333   -1.550  1.000 14.059 0 155 VAL   A HG13  1 c 
ATOM   728  H  HG21  . VAL   A 1 44  ? -13.867 1.035   -3.830  1.000 14.243 0 155 VAL   A HG21  1 c 
ATOM   729  H  HG22  . VAL   A 1 44  ? -14.168 0.086   -5.065  1.000 14.242 0 155 VAL   A HG22  1 c 
ATOM   730  H  HG23  . VAL   A 1 44  ? -12.977 -0.256  -4.075  1.000 14.267 0 155 VAL   A HG23  1 c 
ATOM   731  N  N     . ALA   A 1 45  ? -15.462 -4.156  -2.448  1.000 13.330 0 156 ALA   A N     1 ? 
ATOM   732  C  CA    . ALA   A 1 45  ? -16.333 -5.012  -1.656  1.000 13.750 0 156 ALA   A CA    1 ? 
ATOM   733  C  C     . ALA   A 1 45  ? -16.781 -4.307  -0.370  1.000 13.526 0 156 ALA   A C     1 ? 
ATOM   734  O  O     . ALA   A 1 45  ? -17.947 -4.403  0.023   1.000 13.566 0 156 ALA   A O     1 ? 
ATOM   735  C  CB    . ALA   A 1 45  ? -15.617 -6.306  -1.336  1.000 14.519 0 156 ALA   A CB    1 ? 
ATOM   736  H  H     . ALA   A 1 45  ? -14.606 -4.428  -2.616  1.000 13.414 0 156 ALA   A H     1 c 
ATOM   737  H  HA    . ALA   A 1 45  ? -17.145 -5.214  -2.197  1.000 13.672 0 156 ALA   A HA    1 c 
ATOM   738  H  HB1   . ALA   A 1 45  ? -15.371 -6.757  -2.161  1.000 14.340 0 156 ALA   A HB1   1 c 
ATOM   739  H  HB2   . ALA   A 1 45  ? -14.814 -6.118  -0.822  1.000 14.259 0 156 ALA   A HB2   1 c 
ATOM   740  H  HB3   . ALA   A 1 45  ? -16.201 -6.884  -0.816  1.000 14.260 0 156 ALA   A HB3   1 c 
ATOM   741  N  N     . PHE   A 1 46  ? -15.848 -3.593  0.277   1.000 14.475 0 157 PHE   A N     1 ? 
ATOM   742  C  CA    . PHE   A 1 46  ? -16.121 -2.962  1.569   1.000 14.360 0 157 PHE   A CA    1 ? 
ATOM   743  C  C     . PHE   A 1 46  ? -15.286 -1.690  1.654   1.000 14.406 0 157 PHE   A C     1 ? 
ATOM   744  O  O     . PHE   A 1 46  ? -14.067 -1.753  1.713   1.000 14.390 0 157 PHE   A O     1 ? 
ATOM   745  C  CB    . PHE   A 1 46  ? -15.822 -3.930  2.716   1.000 14.085 0 157 PHE   A CB    1 ? 
ATOM   746  C  CG    . PHE   A 1 46  ? -16.050 -3.397  4.121   1.000 14.019 0 157 PHE   A CG    1 ? 
ATOM   747  C  CD1   . PHE   A 1 46  ? -17.125 -2.561  4.401   1.000 14.491 0 157 PHE   A CD1   1 ? 
ATOM   748  C  CD2   . PHE   A 1 46  ? -15.174 -3.733  5.143   1.000 14.033 0 157 PHE   A CD2   1 ? 
ATOM   749  C  CE1   . PHE   A 1 46  ? -17.334 -2.113  5.702   1.000 14.469 0 157 PHE   A CE1   1 ? 
ATOM   750  C  CE2   . PHE   A 1 46  ? -15.380 -3.271  6.429   1.000 14.078 0 157 PHE   A CE2   1 ? 
ATOM   751  C  CZ    . PHE   A 1 46  ? -16.455 -2.454  6.708   1.000 14.086 0 157 PHE   A CZ    1 ? 
ATOM   752  H  H     . PHE   A 1 46  ? -15.016 -3.503  -0.089  1.000 14.178 0 157 PHE   A H     1 c 
ATOM   753  H  HA    . PHE   A 1 46  ? -17.083 -2.717  1.604   1.000 14.277 0 157 PHE   A HA    1 c 
ATOM   754  H  HB2   . PHE   A 1 46  ? -16.379 -4.730  2.593   1.000 14.106 0 157 PHE   A HB2   1 c 
ATOM   755  H  HB3   . PHE   A 1 46  ? -14.885 -4.215  2.639   1.000 14.128 0 157 PHE   A HB3   1 c 
ATOM   756  H  HD1   . PHE   A 1 46  ? -17.737 -2.334  3.720   1.000 14.337 0 157 PHE   A HD1   1 c 
ATOM   757  H  HD2   . PHE   A 1 46  ? -14.440 -4.297  4.960   1.000 14.012 0 157 PHE   A HD2   1 c 
ATOM   758  H  HE1   . PHE   A 1 46  ? -18.065 -1.547  5.889   1.000 14.356 0 157 PHE   A HE1   1 c 
ATOM   759  H  HE2   . PHE   A 1 46  ? -14.778 -3.509  7.117   1.000 14.009 0 157 PHE   A HE2   1 c 
ATOM   760  H  HZ    . PHE   A 1 46  ? -16.591 -2.133  7.585   1.000 14.107 0 157 PHE   A HZ    1 c 
ATOM   761  N  N     . HIS   A 1 47  ? -15.983 -0.557  1.621   1.000 14.042 0 158 HIS   A N     1 ? 
ATOM   762  C  CA    . HIS   A 1 47  ? -15.428 0.772   1.829   1.000 13.699 0 158 HIS   A CA    1 ? 
ATOM   763  C  C     . HIS   A 1 47  ? -15.831 1.203   3.242   1.000 13.032 0 158 HIS   A C     1 ? 
ATOM   764  O  O     . HIS   A 1 47  ? -17.020 1.268   3.534   1.000 13.390 0 158 HIS   A O     1 ? 
ATOM   765  C  CB    . HIS   A 1 47  ? -15.999 1.731   0.781   1.000 13.701 0 158 HIS   A CB    1 ? 
ATOM   766  C  CG    . HIS   A 1 47  ? -15.640 3.172   0.870   1.000 13.757 0 158 HIS   A CG    1 ? 
ATOM   767  N  ND1   . HIS   A 1 47  ? -14.439 3.687   0.435   1.000 13.541 0 158 HIS   A ND1   1 ? 
ATOM   768  C  CD2   . HIS   A 1 47  ? -16.367 4.236   1.274   1.000 13.831 0 158 HIS   A CD2   1 ? 
ATOM   769  C  CE1   . HIS   A 1 47  ? -14.456 5.007   0.562   1.000 13.791 0 158 HIS   A CE1   1 ? 
ATOM   770  N  NE2   . HIS   A 1 47  ? -15.623 5.364   1.058   1.000 13.752 0 158 HIS   A NE2   1 ? 
ATOM   771  H  H     . HIS   A 1 47  ? -16.878 -0.619  1.452   1.000 13.980 0 158 HIS   A H     1 c 
ATOM   772  H  HA    . HIS   A 1 47  ? -14.444 0.738   1.766   1.000 13.640 0 158 HIS   A HA    1 c 
ATOM   773  H  HB2   . HIS   A 1 47  ? -15.733 1.405   -0.105  1.000 13.633 0 158 HIS   A HB2   1 c 
ATOM   774  H  HB3   . HIS   A 1 47  ? -16.978 1.660   0.808   1.000 13.670 0 158 HIS   A HB3   1 c 
ATOM   775  H  HD1   . HIS   A 1 47  ? -13.792 3.215   0.056   0.000 13.020 0 158 HIS   A HD1   1 c 
ATOM   776  H  HD2   . HIS   A 1 47  ? -17.243 4.217   1.604   1.000 13.795 0 158 HIS   A HD2   1 c 
ATOM   777  H  HE1   . HIS   A 1 47  ? -13.743 5.586   0.355   1.000 13.735 0 158 HIS   A HE1   1 c 
ATOM   778  H  HE2   . HIS   A 1 47  ? -15.871 6.192   1.224   0.000 13.544 0 158 HIS   A HE2   1 c 
ATOM   779  N  N     . PHE   A 1 48  ? -14.830 1.484   4.081   1.000 12.979 0 159 PHE   A N     1 ? 
ATOM   780  C  CA    . PHE   A 1 48  ? -15.027 1.902   5.471   1.000 13.200 0 159 PHE   A CA    1 ? 
ATOM   781  C  C     . PHE   A 1 48  ? -14.462 3.310   5.589   1.000 13.790 0 159 PHE   A C     1 ? 
ATOM   782  O  O     . PHE   A 1 48  ? -13.258 3.487   5.426   1.000 13.290 0 159 PHE   A O     1 ? 
ATOM   783  C  CB    . PHE   A 1 48  ? -14.320 0.902   6.392   1.000 12.715 0 159 PHE   A CB    1 ? 
ATOM   784  C  CG    . PHE   A 1 48  ? -14.288 1.311   7.856   1.000 12.887 0 159 PHE   A CG    1 ? 
ATOM   785  C  CD1   . PHE   A 1 48  ? -15.374 1.057   8.678   1.000 13.031 0 159 PHE   A CD1   1 ? 
ATOM   786  C  CD2   . PHE   A 1 48  ? -13.206 2.010   8.361   1.000 13.284 0 159 PHE   A CD2   1 ? 
ATOM   787  C  CE1   . PHE   A 1 48  ? -15.340 1.436   10.020  1.000 13.239 0 159 PHE   A CE1   1 ? 
ATOM   788  C  CE2   . PHE   A 1 48  ? -13.169 2.380   9.697   1.000 13.450 0 159 PHE   A CE2   1 ? 
ATOM   789  C  CZ    . PHE   A 1 48  ? -14.235 2.095   10.520  1.000 13.435 0 159 PHE   A CZ    1 ? 
ATOM   790  H  H     . PHE   A 1 48  ? -13.974 1.412   3.772   1.000 13.005 0 159 PHE   A H     1 c 
ATOM   791  H  HA    . PHE   A 1 48  ? -15.998 1.914   5.680   1.000 13.127 0 159 PHE   A HA    1 c 
ATOM   792  H  HB2   . PHE   A 1 48  ? -14.773 0.033   6.315   1.000 12.806 0 159 PHE   A HB2   1 c 
ATOM   793  H  HB3   . PHE   A 1 48  ? -13.397 0.787   6.076   1.000 12.838 0 159 PHE   A HB3   1 c 
ATOM   794  H  HD1   . PHE   A 1 48  ? -16.121 0.591   8.337   1.000 13.006 0 159 PHE   A HD1   1 c 
ATOM   795  H  HD2   . PHE   A 1 48  ? -12.467 2.192   7.803   1.000 13.174 0 159 PHE   A HD2   1 c 
ATOM   796  H  HE1   . PHE   A 1 48  ? -16.072 1.244   10.584  1.000 13.224 0 159 PHE   A HE1   1 c 
ATOM   797  H  HE2   . PHE   A 1 48  ? -12.418 2.838   10.038  1.000 13.367 0 159 PHE   A HE2   1 c 
ATOM   798  H  HZ    . PHE   A 1 48  ? -14.217 2.365   11.424  1.000 13.341 0 159 PHE   A HZ    1 c 
ATOM   799  N  N     . ASN   A 1 49  ? -15.328 4.302   5.829   1.000 14.159 0 160 ASN   A N     1 ? 
ATOM   800  C  CA    . ASN   A 1 49  ? -14.988 5.703   5.603   1.000 14.206 0 160 ASN   A CA    1 ? 
ATOM   801  C  C     . ASN   A 1 49  ? -15.428 6.609   6.747   1.000 13.975 0 160 ASN   A C     1 ? 
ATOM   802  O  O     . ASN   A 1 49  ? -16.492 7.211   6.697   1.000 14.231 0 160 ASN   A O     1 ? 
ATOM   803  C  CB    . ASN   A 1 49  ? -15.571 6.141   4.260   1.000 14.339 0 160 ASN   A CB    1 ? 
ATOM   804  C  CG    . ASN   A 1 49  ? -15.436 7.608   3.905   1.000 14.440 0 160 ASN   A CG    1 ? 
ATOM   805  O  OD1   . ASN   A 1 49  ? -16.356 8.164   3.293   1.000 15.142 0 160 ASN   A OD1   1 ? 
ATOM   806  N  ND2   . ASN   A 1 49  ? -14.294 8.229   4.169   1.000 14.299 0 160 ASN   A ND2   1 ? 
ATOM   807  H  H     . ASN   A 1 49  ? -16.161 4.100   6.147   1.000 14.039 0 160 ASN   A H     1 c 
ATOM   808  H  HA    . ASN   A 1 49  ? -14.012 5.767   5.527   1.000 14.137 0 160 ASN   A HA    1 c 
ATOM   809  H  HB2   . ASN   A 1 49  ? -15.141 5.618   3.555   1.000 14.240 0 160 ASN   A HB2   1 c 
ATOM   810  H  HB3   . ASN   A 1 49  ? -16.522 5.915   4.249   1.000 14.292 0 160 ASN   A HB3   1 c 
ATOM   811  H  HD21  . ASN   A 1 49  ? -13.586 7.769   4.439   1.000 14.209 0 160 ASN   A HD21  1 c 
ATOM   812  H  HD22  . ASN   A 1 49  ? -14.239 9.110   4.071   1.000 14.141 0 160 ASN   A HD22  1 c 
ATOM   813  N  N     . PRO   A 1 50  ? -14.578 6.760   7.780   1.000 13.561 0 161 PRO   A N     1 ? 
ATOM   814  C  CA    . PRO   A 1 50  ? -14.758 7.818   8.771   1.000 13.648 0 161 PRO   A CA    1 ? 
ATOM   815  C  C     . PRO   A 1 50  ? -14.652 9.212   8.161   1.000 14.050 0 161 PRO   A C     1 ? 
ATOM   816  O  O     . PRO   A 1 50  ? -13.678 9.513   7.468   1.000 14.685 0 161 PRO   A O     1 ? 
ATOM   817  C  CB    . PRO   A 1 50  ? -13.633 7.556   9.791   1.000 13.906 0 161 PRO   A CB    1 ? 
ATOM   818  C  CG    . PRO   A 1 50  ? -13.278 6.110   9.586   1.000 13.630 0 161 PRO   A CG    1 ? 
ATOM   819  C  CD    . PRO   A 1 50  ? -13.432 5.900   8.095   1.000 13.531 0 161 PRO   A CD    1 ? 
ATOM   820  H  HA    . PRO   A 1 50  ? -15.639 7.705   9.209   1.000 13.704 0 161 PRO   A HA    1 c 
ATOM   821  H  HB2   . PRO   A 1 50  ? -12.855 8.137   9.615   1.000 13.795 0 161 PRO   A HB2   1 c 
ATOM   822  H  HB3   . PRO   A 1 50  ? -13.948 7.714   10.711  1.000 13.793 0 161 PRO   A HB3   1 c 
ATOM   823  H  HG2   . PRO   A 1 50  ? -12.357 5.930   9.870   1.000 13.629 0 161 PRO   A HG2   1 c 
ATOM   824  H  HG3   . PRO   A 1 50  ? -13.885 5.525   10.086  1.000 13.654 0 161 PRO   A HG3   1 c 
ATOM   825  H  HD2   . PRO   A 1 50  ? -12.627 6.184   7.613   1.000 13.513 0 161 PRO   A HD2   1 c 
ATOM   826  H  HD3   . PRO   A 1 50  ? -13.623 4.958   7.887   1.000 13.528 0 161 PRO   A HD3   1 c 
ATOM   827  N  N     . ARG   A 1 51  ? -15.664 10.037  8.436   1.000 14.275 0 162 ARG   A N     1 ? 
ATOM   828  C  CA    . ARG   A 1 51  ? -15.701 11.435  8.036   1.000 15.247 0 162 ARG   A CA    1 ? 
ATOM   829  C  C     . ARG   A 1 51  ? -15.768 12.285  9.303   1.000 15.748 0 162 ARG   A C     1 ? 
ATOM   830  O  O     . ARG   A 1 51  ? -16.681 12.123  10.112  1.000 16.037 0 162 ARG   A O     1 ? 
ATOM   831  C  CB    . ARG   A 1 51  ? -16.925 11.705  7.158   1.000 15.196 0 162 ARG   A CB    1 ? 
ATOM   832  C  CG    . ARG   A 1 51  ? -16.910 10.871  5.887   1.000 15.333 0 162 ARG   A CG    1 ? 
ATOM   833  C  CD    . ARG   A 1 51  ? -18.118 11.115  5.021   1.000 15.940 0 162 ARG   A CD    1 ? 
ATOM   834  N  NE    . ARG   A 1 51  ? -18.112 10.191  3.884   1.000 15.404 0 162 ARG   A NE    1 ? 
ATOM   835  C  CZ    . ARG   A 1 51  ? -19.021 10.150  2.921   1.000 15.628 0 162 ARG   A CZ    1 ? 
ATOM   836  N  NH1   . ARG   A 1 51  ? -20.044 10.986  2.931   1.000 16.122 0 162 ARG   A NH1   1 ? 
ATOM   837  N  NH2   . ARG   A 1 51  ? -18.920 9.245   1.963   1.000 15.863 0 162 ARG   A NH2   1 ? 
ATOM   838  H  H     . ARG   A 1 51  ? -16.376 9.706   8.905   1.000 14.331 0 162 ARG   A H     1 c 
ATOM   839  H  HA    . ARG   A 1 51  ? -14.874 11.651  7.536   1.000 15.097 0 162 ARG   A HA    1 c 
ATOM   840  H  HB2   . ARG   A 1 51  ? -17.738 11.501  7.667   1.000 15.220 0 162 ARG   A HB2   1 c 
ATOM   841  H  HB3   . ARG   A 1 51  ? -16.947 12.656  6.919   1.000 15.230 0 162 ARG   A HB3   1 c 
ATOM   842  H  HG2   . ARG   A 1 51  ? -16.101 11.083  5.372   1.000 15.402 0 162 ARG   A HG2   1 c 
ATOM   843  H  HG3   . ARG   A 1 51  ? -16.876 9.919   6.125   1.000 15.401 0 162 ARG   A HG3   1 c 
ATOM   844  H  HD2   . ARG   A 1 51  ? -18.934 10.981  5.546   1.000 15.743 0 162 ARG   A HD2   1 c 
ATOM   845  H  HD3   . ARG   A 1 51  ? -18.110 12.037  4.693   1.000 15.722 0 162 ARG   A HD3   1 c 
ATOM   846  H  HE    . ARG   A 1 51  ? -17.457 9.621   3.833   1.000 15.445 0 162 ARG   A HE    1 c 
ATOM   847  H  HH11  . ARG   A 1 51  ? -20.630 10.969  2.269   1.000 15.932 0 162 ARG   A HH11  1 c 
ATOM   848  H  HH12  . ARG   A 1 51  ? -20.147 11.561  3.593   1.000 15.913 0 162 ARG   A HH12  1 c 
ATOM   849  H  HH21  . ARG   A 1 51  ? -19.514 9.228   1.308   1.000 15.840 0 162 ARG   A HH21  1 c 
ATOM   850  H  HH22  . ARG   A 1 51  ? -18.259 8.658   1.976   1.000 15.807 0 162 ARG   A HH22  1 c 
ATOM   851  N  N     . PHE   A 1 52  ? -14.813 13.204  9.450   1.000 16.257 0 163 PHE   A N     1 ? 
ATOM   852  C  CA    . PHE   A 1 52  ? -14.665 13.999  10.662  1.000 17.412 0 163 PHE   A CA    1 ? 
ATOM   853  C  C     . PHE   A 1 52  ? -15.492 15.285  10.616  1.000 18.762 0 163 PHE   A C     1 ? 
ATOM   854  O  O     . PHE   A 1 52  ? -15.654 15.911  11.653  1.000 19.387 0 163 PHE   A O     1 ? 
ATOM   855  C  CB    . PHE   A 1 52  ? -13.181 14.327  10.869  1.000 18.023 0 163 PHE   A CB    1 ? 
ATOM   856  C  CG    . PHE   A 1 52  ? -12.364 13.128  11.322  1.000 18.157 0 163 PHE   A CG    1 ? 
ATOM   857  C  CD1   . PHE   A 1 52  ? -11.967 12.167  10.401  1.000 18.306 0 163 PHE   A CD1   1 ? 
ATOM   858  C  CD2   . PHE   A 1 52  ? -12.016 12.949  12.657  1.000 18.595 0 163 PHE   A CD2   1 ? 
ATOM   859  C  CE1   . PHE   A 1 52  ? -11.235 11.063  10.797  1.000 18.750 0 163 PHE   A CE1   1 ? 
ATOM   860  C  CE2   . PHE   A 1 52  ? -11.277 11.838  13.050  1.000 18.530 0 163 PHE   A CE2   1 ? 
ATOM   861  C  CZ    . PHE   A 1 52  ? -10.895 10.895  12.121  1.000 18.960 0 163 PHE   A CZ    1 ? 
ATOM   862  H  H     . PHE   A 1 52  ? -14.229 13.346  8.761   1.000 16.171 0 163 PHE   A H     1 c 
ATOM   863  H  HA    . PHE   A 1 52  ? -14.974 13.456  11.434  1.000 17.505 0 163 PHE   A HA    1 c 
ATOM   864  H  HB2   . PHE   A 1 52  ? -12.812 14.667  10.023  1.000 17.927 0 163 PHE   A HB2   1 c 
ATOM   865  H  HB3   . PHE   A 1 52  ? -13.106 15.039  11.542  1.000 17.910 0 163 PHE   A HB3   1 c 
ATOM   866  H  HD1   . PHE   A 1 52  ? -12.202 12.269  9.493   1.000 18.303 0 163 PHE   A HD1   1 c 
ATOM   867  H  HD2   . PHE   A 1 52  ? -12.280 13.589  13.298  1.000 18.577 0 163 PHE   A HD2   1 c 
ATOM   868  H  HE1   . PHE   A 1 52  ? -10.972 10.420  10.158  1.000 18.660 0 163 PHE   A HE1   1 c 
ATOM   869  H  HE2   . PHE   A 1 52  ? -11.044 11.727  13.958  1.000 18.546 0 163 PHE   A HE2   1 c 
ATOM   870  H  HZ    . PHE   A 1 52  ? -10.390 10.143  12.388  1.000 18.825 0 163 PHE   A HZ    1 c 
ATOM   871  N  N     . ASN   A 1 53  ? -15.982 15.705  9.441   1.000 19.704 0 164 ASN   A N     1 ? 
ATOM   872  C  CA    . ASN   A 1 53  ? -16.677 16.981  9.317   1.000 22.131 0 164 ASN   A CA    1 ? 
ATOM   873  C  C     . ASN   A 1 53  ? -17.617 16.932  8.116   1.000 22.123 0 164 ASN   A C     1 ? 
ATOM   874  O  O     . ASN   A 1 53  ? -17.371 17.575  7.092   1.000 25.773 0 164 ASN   A O     1 ? 
ATOM   875  C  CB    . ASN   A 1 53  ? -15.694 18.144  9.213   1.000 26.121 0 164 ASN   A CB    1 ? 
ATOM   876  C  CG    . ASN   A 1 53  ? -16.368 19.498  9.184   1.000 29.829 0 164 ASN   A CG    1 ? 
ATOM   877  O  OD1   . ASN   A 1 53  ? -17.569 19.612  9.453   1.000 33.307 0 164 ASN   A OD1   1 ? 
ATOM   878  N  ND2   . ASN   A 1 53  ? -15.611 20.538  8.863   1.000 33.131 0 164 ASN   A ND2   1 ? 
ATOM   879  H  H     . ASN   A 1 53  ? -15.876 15.186  8.697   1.000 19.774 0 164 ASN   A H     1 c 
ATOM   880  H  HA    . ASN   A 1 53  ? -17.217 17.119  10.128  1.000 22.103 0 164 ASN   A HA    1 c 
ATOM   881  H  HB2   . ASN   A 1 53  ? -15.082 18.112  9.975   1.000 25.784 0 164 ASN   A HB2   1 c 
ATOM   882  H  HB3   . ASN   A 1 53  ? -15.162 18.038  8.399   1.000 25.840 0 164 ASN   A HB3   1 c 
ATOM   883  H  HD21  . ASN   A 1 53  ? -14.753 20.420  8.671   1.000 32.386 0 164 ASN   A HD21  1 c 
ATOM   884  H  HD22  . ASN   A 1 53  ? -15.963 21.352  8.843   1.000 32.433 0 164 ASN   A HD22  1 c 
ATOM   885  N  N     . GLU   A 1 54  ? -18.657 16.103  8.217   1.000 20.474 0 165 GLU   A N     1 ? 
ATOM   886  C  CA    . GLU   A 1 54  ? -19.737 16.108  7.245   1.000 19.452 0 165 GLU   A CA    1 ? 
ATOM   887  C  C     . GLU   A 1 54  ? -20.905 16.869  7.863   1.000 19.651 0 165 GLU   A C     1 ? 
ATOM   888  O  O     . GLU   A 1 54  ? -21.495 16.409  8.844   1.000 20.552 0 165 GLU   A O     1 ? 
ATOM   889  C  CB    . GLU   A 1 54  ? -20.150 14.685  6.884   1.000 20.734 0 165 GLU   A CB    1 ? 
ATOM   890  C  CG    . GLU   A 1 54  ? -21.156 14.659  5.741   1.000 20.698 0 165 GLU   A CG    1 ? 
ATOM   891  C  CD    . GLU   A 1 54  ? -21.831 13.317  5.561   1.000 20.951 0 165 GLU   A CD    1 ? 
ATOM   892  O  OE1   . GLU   A 1 54  ? -22.589 12.904  6.469   1.000 22.619 0 165 GLU   A OE1   1 ? 
ATOM   893  O  OE2   . GLU   A 1 54  ? -21.619 12.707  4.495   1.000 22.759 0 165 GLU   A OE2   1 ? 
ATOM   894  H  H     . GLU   A 1 54  ? -18.692 15.511  8.912   1.000 20.475 0 165 GLU   A H     1 c 
ATOM   895  H  HA    . GLU   A 1 54  ? -19.434 16.578  6.427   1.000 19.700 0 165 GLU   A HA    1 c 
ATOM   896  H  HB2   . GLU   A 1 54  ? -19.352 14.180  6.623   1.000 20.484 0 165 GLU   A HB2   1 c 
ATOM   897  H  HB3   . GLU   A 1 54  ? -20.536 14.252  7.674   1.000 20.592 0 165 GLU   A HB3   1 c 
ATOM   898  H  HG2   . GLU   A 1 54  ? -21.847 15.336  5.904   1.000 20.712 0 165 GLU   A HG2   1 c 
ATOM   899  H  HG3   . GLU   A 1 54  ? -20.699 14.896  4.905   1.000 20.667 0 165 GLU   A HG3   1 c 
ATOM   900  N  N     . ASN   A 1 55  ? -21.148 18.081  7.360   1.000 20.453 0 166 ASN   A N     1 ? 
ATOM   901  C  CA    . ASN   A 1 55  ? -22.153 18.970  7.928   1.000 20.816 0 166 ASN   A CA    1 ? 
ATOM   902  C  C     . ASN   A 1 55  ? -21.893 19.162  9.422   1.000 19.914 0 166 ASN   A C     1 ? 
ATOM   903  O  O     . ASN   A 1 55  ? -22.819 19.128  10.229  1.000 19.840 0 166 ASN   A O     1 ? 
ATOM   904  C  CB    . ASN   A 1 55  ? -23.561 18.459  7.626   1.000 23.055 0 166 ASN   A CB    1 ? 
ATOM   905  C  CG    . ASN   A 1 55  ? -24.639 19.445  8.006   1.000 26.305 0 166 ASN   A CG    1 ? 
ATOM   906  O  OD1   . ASN   A 1 55  ? -25.688 19.047  8.527   1.000 30.929 0 166 ASN   A OD1   1 ? 
ATOM   907  N  ND2   . ASN   A 1 55  ? -24.411 20.726  7.755   1.000 25.497 0 166 ASN   A ND2   1 ? 
ATOM   908  H  H     . ASN   A 1 55  ? -20.671 18.367  6.635   1.000 20.318 0 166 ASN   A H     1 c 
ATOM   909  H  HA    . ASN   A 1 55  ? -22.057 19.843  7.489   1.000 20.924 0 166 ASN   A HA    1 c 
ATOM   910  H  HB2   . ASN   A 1 55  ? -23.632 18.262  6.671   1.000 23.064 0 166 ASN   A HB2   1 c 
ATOM   911  H  HB3   . ASN   A 1 55  ? -23.708 17.627  8.117   1.000 23.023 0 166 ASN   A HB3   1 c 
ATOM   912  H  HD21  . ASN   A 1 55  ? -23.774 20.969  7.186   1.000 25.582 0 166 ASN   A HD21  1 c 
ATOM   913  H  HD22  . ASN   A 1 55  ? -24.907 21.345  8.154   1.000 25.647 0 166 ASN   A HD22  1 c 
ATOM   914  N  N     . ASN   A 1 56  ? -20.617 19.369  9.768   1.000 20.279 0 167 ASN   A N     1 ? 
ATOM   915  C  CA    . ASN   A 1 56  ? -20.206 19.711  11.120  1.000 21.429 0 167 ASN   A CA    1 ? 
ATOM   916  C  C     . ASN   A 1 56  ? -20.483 18.568  12.090  1.000 22.215 0 167 ASN   A C     1 ? 
ATOM   917  O  O     . ASN   A 1 56  ? -20.651 18.810  13.280  1.000 24.414 0 167 ASN   A O     1 ? 
ATOM   918  C  CB    . ASN   A 1 56  ? -20.860 21.009  11.581  1.000 21.490 0 167 ASN   A CB    1 ? 
ATOM   919  C  CG    . ASN   A 1 56  ? -20.368 22.178  10.766  1.000 23.631 0 167 ASN   A CG    1 ? 
ATOM   920  O  OD1   . ASN   A 1 56  ? -21.145 22.821  10.047  1.000 23.987 0 167 ASN   A OD1   1 ? 
ATOM   921  N  ND2   . ASN   A 1 56  ? -19.068 22.429  10.828  1.000 25.838 0 167 ASN   A ND2   1 ? 
ATOM   922  H  H     . ASN   A 1 56  ? -19.970 19.305  9.125   1.000 20.395 0 167 ASN   A H     1 c 
ATOM   923  H  HA    . ASN   A 1 56  ? -19.237 19.861  11.110  1.000 21.460 0 167 ASN   A HA    1 c 
ATOM   924  H  HB2   . ASN   A 1 56  ? -21.831 20.939  11.495  1.000 21.762 0 167 ASN   A HB2   1 c 
ATOM   925  H  HB3   . ASN   A 1 56  ? -20.648 21.163  12.523  1.000 21.550 0 167 ASN   A HB3   1 c 
ATOM   926  H  HD21  . ASN   A 1 56  ? -18.558 22.004  11.416  1.000 25.137 0 167 ASN   A HD21  1 c 
ATOM   927  H  HD22  . ASN   A 1 56  ? -18.709 23.025  10.278  1.000 25.135 0 167 ASN   A HD22  1 c 
ATOM   928  N  N     . ARG   A 1 57  ? -20.482 17.325  11.610  1.000 22.434 0 168 ARG   A N     1 ? 
ATOM   929  C  CA    . ARG   A 1 57  ? -20.496 16.222  12.553  1.000 24.239 0 168 ARG   A CA    1 ? 
ATOM   930  C  C     . ARG   A 1 57  ? -19.678 15.066  12.010  1.000 20.378 0 168 ARG   A C     1 ? 
ATOM   931  O  O     . ARG   A 1 57  ? -19.195 15.109  10.888  1.000 21.273 0 168 ARG   A O     1 ? 
ATOM   932  C  CB    . ARG   A 1 57  ? -21.912 15.804  12.945  1.000 27.385 0 168 ARG   A CB    1 ? 
ATOM   933  C  CG    . ARG   A 1 57  ? -22.708 15.176  11.818  1.000 26.759 0 168 ARG   A CG    1 ? 
ATOM   934  C  CD    . ARG   A 1 57  ? -24.179 15.471  12.018  1.000 29.467 0 168 ARG   A CD    1 ? 
ATOM   935  N  NE    . ARG   A 1 57  ? -24.458 16.911  11.986  1.000 31.635 0 168 ARG   A NE    1 ? 
ATOM   936  C  CZ    . ARG   A 1 57  ? -25.657 17.449  12.184  1.000 30.798 0 168 ARG   A CZ    1 ? 
ATOM   937  N  NH1   . ARG   A 1 57  ? -25.806 18.764  12.203  1.000 32.813 0 168 ARG   A NH1   1 ? 
ATOM   938  N  NH2   . ARG   A 1 57  ? -26.702 16.664  12.379  1.000 30.284 0 168 ARG   A NH2   1 ? 
ATOM   939  H  H     . ARG   A 1 57  ? -20.467 17.156  10.712  1.000 22.324 0 168 ARG   A H     1 c 
ATOM   940  H  HA    . ARG   A 1 57  ? -20.051 16.530  13.384  1.000 23.868 0 168 ARG   A HA    1 c 
ATOM   941  H  HB2   . ARG   A 1 57  ? -21.854 15.162  13.682  1.000 26.816 0 168 ARG   A HB2   1 c 
ATOM   942  H  HB3   . ARG   A 1 57  ? -22.391 16.592  13.277  1.000 26.954 0 168 ARG   A HB3   1 c 
ATOM   943  H  HG2   . ARG   A 1 57  ? -22.413 15.544  10.959  1.000 26.879 0 168 ARG   A HG2   1 c 
ATOM   944  H  HG3   . ARG   A 1 57  ? -22.565 14.204  11.814  1.000 27.227 0 168 ARG   A HG3   1 c 
ATOM   945  H  HD2   . ARG   A 1 57  ? -24.693 15.027  11.312  1.000 29.374 0 168 ARG   A HD2   1 c 
ATOM   946  H  HD3   . ARG   A 1 57  ? -24.468 15.105  12.879  1.000 29.390 0 168 ARG   A HD3   1 c 
ATOM   947  H  HE    . ARG   A 1 57  ? -23.798 17.453  11.811  1.000 31.020 0 168 ARG   A HE    1 c 
ATOM   948  H  HH11  . ARG   A 1 57  ? -26.610 19.116  12.311  1.000 32.383 0 168 ARG   A HH11  1 c 
ATOM   949  H  HH12  . ARG   A 1 57  ? -25.101 19.290  12.107  1.000 32.340 0 168 ARG   A HH12  1 c 
ATOM   950  H  HH21  . ARG   A 1 57  ? -27.490 17.023  12.556  1.000 30.480 0 168 ARG   A HH21  1 c 
ATOM   951  H  HH22  . ARG   A 1 57  ? -26.622 15.786  12.335  1.000 30.484 0 168 ARG   A HH22  1 c 
ATOM   952  N  N     . ARG   A 1 58  ? -19.491 14.068  12.875  1.000 18.405 0 169 ARG   A N     1 ? 
ATOM   953  C  CA    . ARG   A 1 58  ? -18.614 12.948  12.571  1.000 17.942 0 169 ARG   A CA    1 ? 
ATOM   954  C  C     . ARG   A 1 58  ? -19.497 11.738  12.310  1.000 17.541 0 169 ARG   A C     1 ? 
ATOM   955  O  O     . ARG   A 1 58  ? -20.482 11.539  13.008  1.000 18.780 0 169 ARG   A O     1 ? 
ATOM   956  C  CB    . ARG   A 1 58  ? -17.646 12.748  13.745  1.000 19.506 0 169 ARG   A CB    1 ? 
ATOM   957  C  CG    . ARG   A 1 58  ? -16.943 14.045  14.121  1.000 20.314 0 169 ARG   A CG    1 ? 
ATOM   958  C  CD    . ARG   A 1 58  ? -15.742 13.860  15.016  1.000 21.781 0 169 ARG   A CD    1 ? 
ATOM   959  N  NE    . ARG   A 1 58  ? -16.109 13.210  16.279  1.000 22.092 0 169 ARG   A NE    1 ? 
ATOM   960  C  CZ    . ARG   A 1 58  ? -15.242 12.778  17.186  1.000 22.860 0 169 ARG   A CZ    1 ? 
ATOM   961  N  NH1   . ARG   A 1 58  ? -15.663 12.079  18.225  1.000 23.765 0 169 ARG   A NH1   1 ? 
ATOM   962  N  NH2   . ARG   A 1 58  ? -13.951 13.020  17.031  1.000 25.980 0 169 ARG   A NH2   1 ? 
ATOM   963  H  H     . ARG   A 1 58  ? -19.915 14.086  13.684  1.000 18.594 0 169 ARG   A H     1 c 
ATOM   964  H  HA    . ARG   A 1 58  ? -18.099 13.160  11.754  1.000 18.111 0 169 ARG   A HA    1 c 
ATOM   965  H  HB2   . ARG   A 1 58  ? -18.142 12.411  14.521  1.000 19.461 0 169 ARG   A HB2   1 c 
ATOM   966  H  HB3   . ARG   A 1 58  ? -16.974 12.076  13.499  1.000 19.316 0 169 ARG   A HB3   1 c 
ATOM   967  H  HG2   . ARG   A 1 58  ? -16.653 14.496  13.300  1.000 20.376 0 169 ARG   A HG2   1 c 
ATOM   968  H  HG3   . ARG   A 1 58  ? -17.581 14.639  14.571  1.000 20.446 0 169 ARG   A HG3   1 c 
ATOM   969  H  HD2   . ARG   A 1 58  ? -15.072 13.317  14.554  1.000 21.593 0 169 ARG   A HD2   1 c 
ATOM   970  H  HD3   . ARG   A 1 58  ? -15.345 14.735  15.208  1.000 21.556 0 169 ARG   A HD3   1 c 
ATOM   971  H  HE    . ARG   A 1 58  ? -16.956 13.102  16.450  1.000 22.144 0 169 ARG   A HE    1 c 
ATOM   972  H  HH11  . ARG   A 1 58  ? -15.083 11.786  18.824  1.000 23.501 0 169 ARG   A HH11  1 c 
ATOM   973  H  HH12  . ARG   A 1 58  ? -16.525 11.906  18.321  1.000 23.524 0 169 ARG   A HH12  1 c 
ATOM   974  H  HH21  . ARG   A 1 58  ? -13.365 12.619  17.554  1.000 25.238 0 169 ARG   A HH21  1 c 
ATOM   975  H  HH22  . ARG   A 1 58  ? -13.670 13.577  16.405  1.000 25.178 0 169 ARG   A HH22  1 c 
ATOM   976  N  N     . VAL   A 1 59  ? -19.161 10.958  11.282  1.000 16.117 0 170 VAL   A N     1 ? 
ATOM   977  C  CA    . VAL   A 1 59  ? -19.973 9.821   10.885  1.000 16.146 0 170 VAL   A CA    1 ? 
ATOM   978  C  C     . VAL   A 1 59  ? -19.055 8.784   10.238  1.000 15.468 0 170 VAL   A C     1 ? 
ATOM   979  O  O     . VAL   A 1 59  ? -18.050 9.155   9.628   1.000 16.519 0 170 VAL   A O     1 ? 
ATOM   980  C  CB    . VAL   A 1 59  ? -21.084 10.275  9.908   1.000 17.343 0 170 VAL   A CB    1 ? 
ATOM   981  C  CG1   . VAL   A 1 59  ? -20.534 10.859  8.607   1.000 17.900 0 170 VAL   A CG1   1 ? 
ATOM   982  C  CG2   . VAL   A 1 59  ? -22.071 9.159   9.582   1.000 18.886 0 170 VAL   A CG2   1 ? 
ATOM   983  H  H     . VAL   A 1 59  ? -18.402 11.144  10.809  1.000 16.273 0 170 VAL   A H     1 c 
ATOM   984  H  HA    . VAL   A 1 59  ? -20.385 9.431   11.680  1.000 16.107 0 170 VAL   A HA    1 c 
ATOM   985  H  HB    . VAL   A 1 59  ? -21.588 10.991  10.360  1.000 17.422 0 170 VAL   A HB    1 c 
ATOM   986  H  HG11  . VAL   A 1 59  ? -20.022 10.182  8.135   1.000 17.801 0 170 VAL   A HG11  1 c 
ATOM   987  H  HG12  . VAL   A 1 59  ? -19.961 11.618  8.808   1.000 17.779 0 170 VAL   A HG12  1 c 
ATOM   988  H  HG13  . VAL   A 1 59  ? -21.272 11.152  8.047   1.000 17.788 0 170 VAL   A HG13  1 c 
ATOM   989  H  HG21  . VAL   A 1 59  ? -22.765 9.502   8.994   1.000 18.593 0 170 VAL   A HG21  1 c 
ATOM   990  H  HG22  . VAL   A 1 59  ? -22.475 8.834   10.404  1.000 18.612 0 170 VAL   A HG22  1 c 
ATOM   991  H  HG23  . VAL   A 1 59  ? -21.606 8.430   9.140   1.000 18.566 0 170 VAL   A HG23  1 c 
ATOM   992  N  N     . ILE   A 1 60  ? -19.429 7.503   10.365  1.000 15.465 0 171 ILE   A N     1 ? 
ATOM   993  C  CA    . ILE   A 1 60  ? -18.807 6.422   9.616   1.000 15.700 0 171 ILE   A CA    1 ? 
ATOM   994  C  C     . ILE   A 1 60  ? -19.741 6.057   8.467   1.000 14.689 0 171 ILE   A C     1 ? 
ATOM   995  O  O     . ILE   A 1 60  ? -20.887 5.689   8.689   1.000 15.616 0 171 ILE   A O     1 ? 
ATOM   996  C  CB    . ILE   A 1 60  ? -18.576 5.168   10.478  1.000 17.551 0 171 ILE   A CB    1 ? 
ATOM   997  C  CG1   . ILE   A 1 60  ? -17.985 5.445   11.868  1.000 19.233 0 171 ILE   A CG1   1 ? 
ATOM   998  C  CG2   . ILE   A 1 60  ? -17.763 4.156   9.662   1.000 17.782 0 171 ILE   A CG2   1 ? 
ATOM   999  C  CD1   . ILE   A 1 60  ? -16.488 5.660   11.904  1.000 20.557 0 171 ILE   A CD1   1 ? 
ATOM   1000 H  H     . ILE   A 1 60  ? -20.103 7.298   10.947  1.000 15.390 0 171 ILE   A H     1 c 
ATOM   1001 H  HA    . ILE   A 1 60  ? -17.952 6.727   9.257   1.000 15.527 0 171 ILE   A HA    1 c 
ATOM   1002 H  HB    . ILE   A 1 60  ? -19.454 4.767   10.632  1.000 17.441 0 171 ILE   A HB    1 c 
ATOM   1003 H  HG12  . ILE   A 1 60  ? -18.421 6.237   12.242  1.000 19.136 0 171 ILE   A HG12  1 c 
ATOM   1004 H  HG13  . ILE   A 1 60  ? -18.202 4.688   12.451  1.000 19.134 0 171 ILE   A HG13  1 c 
ATOM   1005 H  HG21  . ILE   A 1 60  ? -17.565 3.379   10.211  1.000 17.767 0 171 ILE   A HG21  1 c 
ATOM   1006 H  HG22  . ILE   A 1 60  ? -16.930 4.564   9.371   1.000 17.779 0 171 ILE   A HG22  1 c 
ATOM   1007 H  HG23  . ILE   A 1 60  ? -18.273 3.876   8.883   1.000 17.684 0 171 ILE   A HG23  1 c 
ATOM   1008 H  HD11  . ILE   A 1 60  ? -16.030 4.854   11.596  1.000 20.291 0 171 ILE   A HD11  1 c 
ATOM   1009 H  HD12  . ILE   A 1 60  ? -16.212 5.857   12.819  1.000 20.429 0 171 ILE   A HD12  1 c 
ATOM   1010 H  HD13  . ILE   A 1 60  ? -16.250 6.409   11.326  1.000 20.360 0 171 ILE   A HD13  1 c 
ATOM   1011 N  N     . VAL   A 1 61  ? -19.237 6.127   7.232   1.000 14.525 0 172 VAL   A N     1 ? 
ATOM   1012 C  CA    . VAL   A 1 61  ? -19.964 5.688   6.046   1.000 14.289 0 172 VAL   A CA    1 ? 
ATOM   1013 C  C     . VAL   A 1 61  ? -19.336 4.394   5.532   1.000 13.592 0 172 VAL   A C     1 ? 
ATOM   1014 O  O     . VAL   A 1 61  ? -18.118 4.334   5.346   1.000 13.704 0 172 VAL   A O     1 ? 
ATOM   1015 C  CB    . VAL   A 1 61  ? -19.947 6.783   4.965   1.000 15.477 0 172 VAL   A CB    1 ? 
ATOM   1016 C  CG1   . VAL   A 1 61  ? -20.676 6.336   3.712   1.000 16.232 0 172 VAL   A CG1   1 ? 
ATOM   1017 C  CG2   . VAL   A 1 61  ? -20.548 8.087   5.467   1.000 16.324 0 172 VAL   A CG2   1 ? 
ATOM   1018 H  H     . VAL   A 1 61  ? -18.396 6.467   7.122   1.000 14.484 0 172 VAL   A H     1 c 
ATOM   1019 H  HA    . VAL   A 1 61  ? -20.891 5.510   6.295   1.000 14.273 0 172 VAL   A HA    1 c 
ATOM   1020 H  HB    . VAL   A 1 61  ? -19.004 6.950   4.730   1.000 15.362 0 172 VAL   A HB    1 c 
ATOM   1021 H  HG11  . VAL   A 1 61  ? -21.594 6.105   3.935   1.000 16.089 0 172 VAL   A HG11  1 c 
ATOM   1022 H  HG12  . VAL   A 1 61  ? -20.231 5.561   3.332   1.000 16.104 0 172 VAL   A HG12  1 c 
ATOM   1023 H  HG13  . VAL   A 1 61  ? -20.676 7.059   3.061   1.000 16.088 0 172 VAL   A HG13  1 c 
ATOM   1024 H  HG21  . VAL   A 1 61  ? -20.544 8.744   4.752   1.000 16.240 0 172 VAL   A HG21  1 c 
ATOM   1025 H  HG22  . VAL   A 1 61  ? -20.025 8.421   6.215   1.000 16.163 0 172 VAL   A HG22  1 c 
ATOM   1026 H  HG23  . VAL   A 1 61  ? -21.462 7.932   5.756   1.000 16.155 0 172 VAL   A HG23  1 c 
ATOM   1027 N  N     . CYS   A 1 62  ? -20.177 3.378   5.283   1.000 13.438 0 173 CYS   A N     1 ? 
ATOM   1028 C  CA    . CYS   A 1 62  ? -19.751 2.134   4.653   1.000 13.922 0 173 CYS   A CA    1 ? 
ATOM   1029 C  C     . CYS   A 1 62  ? -20.556 1.909   3.375   1.000 14.026 0 173 CYS   A C     1 ? 
ATOM   1030 O  O     . CYS   A 1 62  ? -21.733 2.245   3.307   1.000 14.773 0 173 CYS   A O     1 ? 
ATOM   1031 C  CB    . CYS   A 1 62  ? -19.914 0.934   5.580   1.000 14.491 0 173 CYS   A CB    1 ? 
ATOM   1032 S  SG    . CYS   A 1 62  ? -18.871 1.030   7.058   1.000 15.792 0 173 CYS   A SG    1 ? 
ATOM   1033 H  H     . CYS   A 1 62  ? -21.056 3.467   5.517   1.000 13.514 0 173 CYS   A H     1 c 
ATOM   1034 H  HA    . CYS   A 1 62  ? -18.799 2.224   4.412   1.000 13.945 0 173 CYS   A HA    1 c 
ATOM   1035 H  HB2   . CYS   A 1 62  ? -20.853 0.869   5.862   1.000 14.481 0 173 CYS   A HB2   1 c 
ATOM   1036 H  HB3   . CYS   A 1 62  ? -19.687 0.113   5.089   1.000 14.454 0 173 CYS   A HB3   1 c 
ATOM   1037 H  HG    . CYS   A 1 62  ? -19.216 -0.011  7.570   0.000 15.047 0 173 CYS   A HG    1 c 
ATOM   1038 N  N     . ASN   A 1 63  ? -19.913 1.340   2.346   1.000 13.758 0 174 ASN   A N     1 ? 
ATOM   1039 C  CA    . ASN   A 1 63  ? -20.581 1.091   1.073   1.000 13.826 0 174 ASN   A CA    1 ? 
ATOM   1040 C  C     . ASN   A 1 63  ? -19.767 0.076   0.273   1.000 13.755 0 174 ASN   A C     1 ? 
ATOM   1041 O  O     . ASN   A 1 63  ? -18.671 -0.326  0.658   1.000 13.102 0 174 ASN   A O     1 ? 
ATOM   1042 C  CB    . ASN   A 1 63  ? -20.839 2.428   0.386   1.000 14.254 0 174 ASN   A CB    1 ? 
ATOM   1043 C  CG    . ASN   A 1 63  ? -21.980 2.415   -0.612  1.000 14.870 0 174 ASN   A CG    1 ? 
ATOM   1044 O  OD1   . ASN   A 1 63  ? -22.555 1.367   -0.933  1.000 15.258 0 174 ASN   A OD1   1 ? 
ATOM   1045 N  ND2   . ASN   A 1 63  ? -22.346 3.601   -1.072  1.000 15.532 0 174 ASN   A ND2   1 ? 
ATOM   1046 H  H     . ASN   A 1 63  ? -19.036 1.101   2.440   1.000 13.800 0 174 ASN   A H     1 c 
ATOM   1047 H  HA    . ASN   A 1 63  ? -21.458 0.689   1.267   1.000 13.856 0 174 ASN   A HA    1 c 
ATOM   1048 H  HB2   . ASN   A 1 63  ? -21.028 3.104   1.065   1.000 14.279 0 174 ASN   A HB2   1 c 
ATOM   1049 H  HB3   . ASN   A 1 63  ? -20.023 2.700   -0.080  1.000 14.245 0 174 ASN   A HB3   1 c 
ATOM   1050 H  HD21  . ASN   A 1 63  ? -21.944 4.335   -0.775  1.000 15.300 0 174 ASN   A HD21  1 c 
ATOM   1051 H  HD22  . ASN   A 1 63  ? -22.990 3.663   -1.677  1.000 15.288 0 174 ASN   A HD22  1 c 
ATOM   1052 N  N     . THR   A 1 64  ? -20.341 -0.283  -0.886  1.000 14.339 0 175 THR   A N     1 ? 
ATOM   1053 C  CA    . THR   A 1 64  ? -19.754 -1.160  -1.896  1.000 14.915 0 175 THR   A CA    1 ? 
ATOM   1054 C  C     . THR   A 1 64  ? -19.818 -0.433  -3.245  1.000 15.402 0 175 THR   A C     1 ? 
ATOM   1055 O  O     . THR   A 1 64  ? -20.804 0.253   -3.522  1.000 16.276 0 175 THR   A O     1 ? 
ATOM   1056 C  CB    . THR   A 1 64  ? -20.530 -2.482  -1.936  1.000 15.115 0 175 THR   A CB    1 ? 
ATOM   1057 O  OG1   . THR   A 1 64  ? -20.326 -3.147  -0.682  1.000 15.377 0 175 THR   A OG1   1 ? 
ATOM   1058 C  CG2   . THR   A 1 64  ? -20.156 -3.386  -3.102  1.000 15.189 0 175 THR   A CG2   1 ? 
ATOM   1059 H  H     . THR   A 1 64  ? -21.178 0.042   -1.052  1.000 14.297 0 175 THR   A H     1 c 
ATOM   1060 H  HA    . THR   A 1 64  ? -18.819 -1.338  -1.661  1.000 14.903 0 175 THR   A HA    1 c 
ATOM   1061 H  HB    . THR   A 1 64  ? -21.490 -2.273  -2.023  1.000 15.096 0 175 THR   A HB    1 c 
ATOM   1062 H  HG1   . THR   A 1 64  ? -19.496 -3.328  -0.565  0.000 14.223 0 175 THR   A HG1   1 c 
ATOM   1063 H  HG21  . THR   A 1 64  ? -20.696 -4.194  -3.070  1.000 15.159 0 175 THR   A HG21  1 c 
ATOM   1064 H  HG22  . THR   A 1 64  ? -19.217 -3.625  -3.042  1.000 15.177 0 175 THR   A HG22  1 c 
ATOM   1065 H  HG23  . THR   A 1 64  ? -20.320 -2.924  -3.940  1.000 15.251 0 175 THR   A HG23  1 c 
ATOM   1066 N  N     . LYS   A 1 65  ? -18.756 -0.570  -4.054  1.000 16.303 0 176 LYS   A N     1 ? 
ATOM   1067 C  CA    . LYS   A 1 65  ? -18.704 -0.011  -5.408  1.000 16.836 0 176 LYS   A CA    1 ? 
ATOM   1068 C  C     . LYS   A 1 65  ? -18.658 -1.163  -6.406  1.000 16.110 0 176 LYS   A C     1 ? 
ATOM   1069 O  O     . LYS   A 1 65  ? -17.761 -1.990  -6.334  1.000 16.130 0 176 LYS   A O     1 ? 
ATOM   1070 C  CB    . LYS   A 1 65  ? -17.492 0.910   -5.556  1.000 17.634 0 176 LYS   A CB    1 ? 
ATOM   1071 C  CG    . LYS   A 1 65  ? -17.534 1.900   -6.716  1.000 18.163 0 176 LYS   A CG    1 ? 
ATOM   1072 C  CD    . LYS   A 1 65  ? -16.213 2.653   -6.824  1.000 19.713 0 176 LYS   A CD    1 ? 
ATOM   1073 C  CE    . LYS   A 1 65  ? -16.270 3.980   -7.496  1.000 22.032 0 176 LYS   A CE    1 ? 
ATOM   1074 N  NZ    . LYS   A 1 65  ? -14.910 4.488   -7.720  1.000 24.540 0 176 LYS   A NZ    1 ? 
ATOM   1075 H  H     . LYS   A 1 65  ? -18.032 -1.038  -3.751  1.000 16.158 0 176 LYS   A H     1 c 
ATOM   1076 H  HA    . LYS   A 1 65  ? -19.525 0.518   -5.562  1.000 16.721 0 176 LYS   A HA    1 c 
ATOM   1077 H  HB2   . LYS   A 1 65  ? -17.389 1.419   -4.724  1.000 17.329 0 176 LYS   A HB2   1 c 
ATOM   1078 H  HB3   . LYS   A 1 65  ? -16.690 0.353   -5.659  1.000 17.469 0 176 LYS   A HB3   1 c 
ATOM   1079 H  HG2   . LYS   A 1 65  ? -17.706 1.411   -7.550  1.000 18.274 0 176 LYS   A HG2   1 c 
ATOM   1080 H  HG3   . LYS   A 1 65  ? -18.267 2.537   -6.568  1.000 18.193 0 176 LYS   A HG3   1 c 
ATOM   1081 H  HD2   . LYS   A 1 65  ? -15.855 2.780   -5.918  1.000 19.560 0 176 LYS   A HD2   1 c 
ATOM   1082 H  HD3   . LYS   A 1 65  ? -15.576 2.085   -7.309  1.000 19.551 0 176 LYS   A HD3   1 c 
ATOM   1083 H  HE2   . LYS   A 1 65  ? -16.726 3.897   -8.353  1.000 21.958 0 176 LYS   A HE2   1 c 
ATOM   1084 H  HE3   . LYS   A 1 65  ? -16.763 4.612   -6.944  1.000 21.947 0 176 LYS   A HE3   1 c 
ATOM   1085 H  HZ1   . LYS   A 1 65  ? -14.451 3.916   -8.253  1.000 24.000 0 176 LYS   A HZ1   1 c 
ATOM   1086 H  HZ2   . LYS   A 1 65  ? -14.478 4.568   -6.928  1.000 24.100 0 176 LYS   A HZ2   1 c 
ATOM   1087 H  HZ3   . LYS   A 1 65  ? -14.949 5.300   -8.121  1.000 24.026 0 176 LYS   A HZ3   1 c 
ATOM   1088 N  N     . LEU   A 1 66  ? -19.665 -1.210  -7.281  1.000 16.308 0 177 LEU   A N     1 ? 
ATOM   1089 C  CA    . LEU   A 1 66  ? -19.756 -2.229  -8.323  1.000 16.758 0 177 LEU   A CA    1 ? 
ATOM   1090 C  C     . LEU   A 1 66  ? -19.817 -1.548  -9.685  1.000 16.915 0 177 LEU   A C     1 ? 
ATOM   1091 O  O     . LEU   A 1 66  ? -20.633 -0.658  -9.897  1.000 17.200 0 177 LEU   A O     1 ? 
ATOM   1092 C  CB    . LEU   A 1 66  ? -20.986 -3.113  -8.119  1.000 17.342 0 177 LEU   A CB    1 ? 
ATOM   1093 C  CG    . LEU   A 1 66  ? -21.062 -3.860  -6.785  1.000 18.271 0 177 LEU   A CG    1 ? 
ATOM   1094 C  CD1   . LEU   A 1 66  ? -22.371 -4.632  -6.637  1.000 20.585 0 177 LEU   A CD1   1 ? 
ATOM   1095 C  CD2   . LEU   A 1 66  ? -19.887 -4.787  -6.600  1.000 19.189 0 177 LEU   A CD2   1 ? 
ATOM   1096 H  H     . LEU   A 1 66  ? -20.324 -0.579  -7.231  1.000 16.320 0 177 LEU   A H     1 c 
ATOM   1097 H  HA    . LEU   A 1 66  ? -18.945 -2.790  -8.285  1.000 16.770 0 177 LEU   A HA    1 c 
ATOM   1098 H  HB2   . LEU   A 1 66  ? -21.788 -2.547  -8.203  1.000 17.302 0 177 LEU   A HB2   1 c 
ATOM   1099 H  HB3   . LEU   A 1 66  ? -21.013 -3.775  -8.848  1.000 17.305 0 177 LEU   A HB3   1 c 
ATOM   1100 H  HG    . LEU   A 1 66  ? -21.030 -3.186  -6.059  1.000 18.364 0 177 LEU   A HG    1 c 
ATOM   1101 H  HD11  . LEU   A 1 66  ? -23.119 -4.014  -6.679  1.000 20.093 0 177 LEU   A HD11  1 c 
ATOM   1102 H  HD12  . LEU   A 1 66  ? -22.381 -5.093  -5.781  1.000 20.256 0 177 LEU   A HD12  1 c 
ATOM   1103 H  HD13  . LEU   A 1 66  ? -22.448 -5.282  -7.355  1.000 20.222 0 177 LEU   A HD13  1 c 
ATOM   1104 H  HD21  . LEU   A 1 66  ? -19.064 -4.273  -6.586  1.000 18.904 0 177 LEU   A HD21  1 c 
ATOM   1105 H  HD22  . LEU   A 1 66  ? -19.858 -5.425  -7.333  1.000 19.043 0 177 LEU   A HD22  1 c 
ATOM   1106 H  HD23  . LEU   A 1 66  ? -19.982 -5.266  -5.760  1.000 19.023 0 177 LEU   A HD23  1 c 
ATOM   1107 N  N     . ASP   A 1 67  ? -18.927 -1.955  -10.591 1.000 17.460 0 178 ASP   A N     1 ? 
ATOM   1108 C  CA    . ASP   A 1 67  ? -18.894 -1.382  -11.934 1.000 18.795 0 178 ASP   A CA    1 ? 
ATOM   1109 C  C     . ASP   A 1 67  ? -18.805 0.141   -11.858 1.000 18.985 0 178 ASP   A C     1 ? 
ATOM   1110 O  O     . ASP   A 1 67  ? -19.434 0.859   -12.631 1.000 20.272 0 178 ASP   A O     1 ? 
ATOM   1111 C  CB    . ASP   A 1 67  ? -20.085 -1.822  -12.772 1.000 20.424 0 178 ASP   A CB    1 ? 
ATOM   1112 C  CG    . ASP   A 1 67  ? -20.072 -3.287  -13.177 1.000 22.644 0 178 ASP   A CG    1 ? 
ATOM   1113 O  OD1   . ASP   A 1 67  ? -19.001 -3.917  -13.059 1.000 23.732 0 178 ASP   A OD1   1 ? 
ATOM   1114 O  OD2   . ASP   A 1 67  ? -21.134 -3.782  -13.603 1.000 27.930 0 178 ASP   A OD2   1 ? 
ATOM   1115 H  H     . ASP   A 1 67  ? -18.324 -2.606  -10.373 1.000 17.496 0 178 ASP   A H     1 c 
ATOM   1116 H  HA    . ASP   A 1 67  ? -18.083 -1.711  -12.383 1.000 18.674 0 178 ASP   A HA    1 c 
ATOM   1117 H  HB2   . ASP   A 1 67  ? -20.913 -1.648  -12.279 1.000 20.242 0 178 ASP   A HB2   1 c 
ATOM   1118 H  HB3   . ASP   A 1 67  ? -20.110 -1.290  -13.594 1.000 20.322 0 178 ASP   A HB3   1 c 
ATOM   1119 N  N     . ASN   A 1 68  ? -18.002 0.617   -10.906 1.000 18.978 0 179 ASN   A N     1 ? 
ATOM   1120 C  CA    . ASN   A 1 68  ? -17.674 2.021   -10.702 1.000 19.596 0 179 ASN   A CA    1 ? 
ATOM   1121 C  C     . ASN   A 1 68  ? -18.857 2.830   -10.152 1.000 19.901 0 179 ASN   A C     1 ? 
ATOM   1122 O  O     . ASN   A 1 68  ? -18.776 4.052   -10.175 1.000 23.090 0 179 ASN   A O     1 ? 
ATOM   1123 C  CB    . ASN   A 1 68  ? -17.057 2.638   -11.957 1.000 19.638 0 179 ASN   A CB    1 ? 
ATOM   1124 C  CG    . ASN   A 1 68  ? -15.764 3.364   -11.661 1.000 20.197 0 179 ASN   A CG    1 ? 
ATOM   1125 O  OD1   . ASN   A 1 68  ? -14.976 2.914   -10.812 1.000 19.803 0 179 ASN   A OD1   1 ? 
ATOM   1126 N  ND2   . ASN   A 1 68  ? -15.535 4.483   -12.333 1.000 22.245 0 179 ASN   A ND2   1 ? 
ATOM   1127 H  H     . ASN   A 1 68  ? -17.615 0.011   -10.342 1.000 18.941 0 179 ASN   A H     1 c 
ATOM   1128 H  HA    . ASN   A 1 68  ? -16.977 2.046   -10.009 1.000 19.476 0 179 ASN   A HA    1 c 
ATOM   1129 H  HB2   . ASN   A 1 68  ? -16.882 1.933   -12.610 1.000 19.652 0 179 ASN   A HB2   1 c 
ATOM   1130 H  HB3   . ASN   A 1 68  ? -17.694 3.265   -12.354 1.000 19.681 0 179 ASN   A HB3   1 c 
ATOM   1131 H  HD21  . ASN   A 1 68  ? -16.115 4.766   -12.942 1.000 21.736 0 179 ASN   A HD21  1 c 
ATOM   1132 H  HD22  . ASN   A 1 68  ? -14.797 4.948   -12.174 1.000 21.644 0 179 ASN   A HD22  1 c 
ATOM   1133 N  N     . ASN   A 1 69  ? -19.925 2.179   -9.652  1.000 19.591 0 180 ASN   A N     1 ? 
ATOM   1134 C  CA    . ASN   A 1 69  ? -21.067 2.865   -9.034  1.000 19.608 0 180 ASN   A CA    1 ? 
ATOM   1135 C  C     . ASN   A 1 69  ? -21.191 2.502   -7.547  1.000 18.393 0 180 ASN   A C     1 ? 
ATOM   1136 O  O     . ASN   A 1 69  ? -21.219 1.319   -7.210  1.000 17.869 0 180 ASN   A O     1 ? 
ATOM   1137 C  CB    . ASN   A 1 69  ? -22.390 2.506   -9.715  1.000 22.260 0 180 ASN   A CB    1 ? 
ATOM   1138 C  CG    . ASN   A 1 69  ? -22.449 2.864   -11.181 1.000 25.231 0 180 ASN   A CG    1 ? 
ATOM   1139 O  OD1   . ASN   A 1 69  ? -22.732 1.999   -12.015 1.000 30.207 0 180 ASN   A OD1   1 ? 
ATOM   1140 N  ND2   . ASN   A 1 69  ? -22.214 4.121   -11.523 1.000 28.004 0 180 ASN   A ND2   1 ? 
ATOM   1141 H  H     . ASN   A 1 69  ? -19.939 1.267   -9.688  1.000 19.503 0 180 ASN   A H     1 c 
ATOM   1142 H  HA    . ASN   A 1 69  ? -20.939 3.836   -9.118  1.000 19.589 0 180 ASN   A HA    1 c 
ATOM   1143 H  HB2   . ASN   A 1 69  ? -22.541 1.543   -9.622  1.000 22.076 0 180 ASN   A HB2   1 c 
ATOM   1144 H  HB3   . ASN   A 1 69  ? -23.119 2.965   -9.251  1.000 22.033 0 180 ASN   A HB3   1 c 
ATOM   1145 H  HD21  . ASN   A 1 69  ? -22.143 4.746   -10.897 1.000 27.250 0 180 ASN   A HD21  1 c 
ATOM   1146 H  HD22  . ASN   A 1 69  ? -22.129 4.337   -12.379 1.000 27.577 0 180 ASN   A HD22  1 c 
ATOM   1147 N  N     . TRP   A 1 70  ? -21.314 3.514   -6.669  1.000 17.653 0 181 TRP   A N     1 ? 
ATOM   1148 C  CA    . TRP   A 1 70  ? -21.571 3.307   -5.246  1.000 17.113 0 181 TRP   A CA    1 ? 
ATOM   1149 C  C     . TRP   A 1 70  ? -23.000 2.817   -5.054  1.000 17.530 0 181 TRP   A C     1 ? 
ATOM   1150 O  O     . TRP   A 1 70  ? -23.910 3.262   -5.750  1.000 19.572 0 181 TRP   A O     1 ? 
ATOM   1151 C  CB    . TRP   A 1 70  ? -21.316 4.603   -4.463  1.000 16.987 0 181 TRP   A CB    1 ? 
ATOM   1152 C  CG    . TRP   A 1 70  ? -19.857 4.961   -4.381  1.000 16.934 0 181 TRP   A CG    1 ? 
ATOM   1153 C  CD1   . TRP   A 1 70  ? -19.209 5.974   -5.021  1.000 17.023 0 181 TRP   A CD1   1 ? 
ATOM   1154 C  CD2   . TRP   A 1 70  ? -18.844 4.231   -3.666  1.000 16.736 0 181 TRP   A CD2   1 ? 
ATOM   1155 N  NE1   . TRP   A 1 70  ? -17.870 5.944   -4.740  1.000 17.626 0 181 TRP   A NE1   1 ? 
ATOM   1156 C  CE2   . TRP   A 1 70  ? -17.621 4.901   -3.883  1.000 17.432 0 181 TRP   A CE2   1 ? 
ATOM   1157 C  CE3   . TRP   A 1 70  ? -18.870 3.119   -2.814  1.000 16.795 0 181 TRP   A CE3   1 ? 
ATOM   1158 C  CZ2   . TRP   A 1 70  ? -16.423 4.455   -3.340  1.000 17.038 0 181 TRP   A CZ2   1 ? 
ATOM   1159 C  CZ3   . TRP   A 1 70  ? -17.683 2.684   -2.275  1.000 16.867 0 181 TRP   A CZ3   1 ? 
ATOM   1160 C  CH2   . TRP   A 1 70  ? -16.485 3.347   -2.522  1.000 17.457 0 181 TRP   A CH2   1 ? 
ATOM   1161 H  H     . TRP   A 1 70  ? -21.233 4.371   -6.976  1.000 17.654 0 181 TRP   A H     1 c 
ATOM   1162 H  HA    . TRP   A 1 70  ? -20.944 2.610   -4.911  1.000 17.164 0 181 TRP   A HA    1 c 
ATOM   1163 H  HB2   . TRP   A 1 70  ? -21.801 5.335   -4.899  1.000 16.921 0 181 TRP   A HB2   1 c 
ATOM   1164 H  HB3   . TRP   A 1 70  ? -21.670 4.495   -3.554  1.000 16.934 0 181 TRP   A HB3   1 c 
ATOM   1165 H  HD1   . TRP   A 1 70  ? -19.618 6.607   -5.589  1.000 17.131 0 181 TRP   A HD1   1 c 
ATOM   1166 H  HE1   . TRP   A 1 70  ? -17.277 6.513   -5.036  1.000 17.452 0 181 TRP   A HE1   1 c 
ATOM   1167 H  HE3   . TRP   A 1 70  ? -19.677 2.663   -2.644  1.000 16.794 0 181 TRP   A HE3   1 c 
ATOM   1168 H  HZ2   . TRP   A 1 70  ? -15.609 4.898   -3.511  1.000 17.104 0 181 TRP   A HZ2   1 c 
ATOM   1169 H  HZ3   . TRP   A 1 70  ? -17.684 1.932   -1.706  1.000 16.860 0 181 TRP   A HZ3   1 c 
ATOM   1170 H  HH2   . TRP   A 1 70  ? -15.693 3.025   -2.129  1.000 17.220 0 181 TRP   A HH2   1 c 
ATOM   1171 N  N     . GLY   A 1 71  ? -23.187 1.938   -4.063  1.000 17.225 0 182 GLY   A N     1 ? 
ATOM   1172 C  CA    . GLY   A 1 71  ? -24.493 1.395   -3.726  1.000 17.544 0 182 GLY   A CA    1 ? 
ATOM   1173 C  C     . GLY   A 1 71  ? -25.147 2.174   -2.588  1.000 17.657 0 182 GLY   A C     1 ? 
ATOM   1174 O  O     . GLY   A 1 71  ? -24.866 3.357   -2.392  1.000 17.829 0 182 GLY   A O     1 ? 
ATOM   1175 H  H     . GLY   A 1 71  ? -22.464 1.667   -3.574  1.000 17.252 0 182 GLY   A H     1 c 
ATOM   1176 H  HA2   . GLY   A 1 71  ? -25.074 1.422   -4.522  1.000 17.531 0 182 GLY   A HA2   1 c 
ATOM   1177 H  HA3   . GLY   A 1 71  ? -24.388 0.451   -3.460  1.000 17.483 0 182 GLY   A HA3   1 c 
ATOM   1178 N  N     . ARG   A 1 72  ? -26.012 1.485   -1.838  1.000 18.254 0 183 ARG   A N     1 ? 
ATOM   1179 C  CA    . ARG   A 1 72  ? -26.713 2.087   -0.712  1.000 18.819 0 183 ARG   A CA    1 ? 
ATOM   1180 C  C     . ARG   A 1 72  ? -25.768 2.202   0.491   1.000 17.623 0 183 ARG   A C     1 ? 
ATOM   1181 O  O     . ARG   A 1 72  ? -25.181 1.208   0.919   1.000 18.503 0 183 ARG   A O     1 ? 
ATOM   1182 C  CB    . ARG   A 1 72  ? -27.973 1.284   -0.355  1.000 21.754 0 183 ARG   A CB    1 ? 
ATOM   1183 C  CG    . ARG   A 1 72  ? -29.068 1.256   -1.415  1.000 24.703 0 183 ARG   A CG    1 ? 
ATOM   1184 C  CD    . ARG   A 1 72  ? -30.319 0.537   -0.925  1.000 28.415 0 183 ARG   A CD    1 ? 
ATOM   1185 N  NE    . ARG   A 1 72  ? -31.420 0.467   -1.894  1.000 31.854 0 183 ARG   A NE    1 ? 
ATOM   1186 C  CZ    . ARG   A 1 72  ? -32.469 1.294   -1.952  1.000 35.160 0 183 ARG   A CZ    1 ? 
ATOM   1187 N  NH1   . ARG   A 1 72  ? -32.515 2.393   -1.210  1.000 34.695 0 183 ARG   A NH1   1 ? 
ATOM   1188 N  NH2   . ARG   A 1 72  ? -33.459 1.037   -2.792  1.000 35.908 0 183 ARG   A NH2   1 ? 
ATOM   1189 H  H     . ARG   A 1 72  ? -26.171 0.607   -2.035  1.000 18.240 0 183 ARG   A H     1 c 
ATOM   1190 H  HA    . ARG   A 1 72  ? -26.998 2.998   -0.978  1.000 18.817 0 183 ARG   A HA    1 c 
ATOM   1191 H  HB2   . ARG   A 1 72  ? -27.703 0.360   -0.165  1.000 21.503 0 183 ARG   A HB2   1 c 
ATOM   1192 H  HB3   . ARG   A 1 72  ? -28.351 1.654   0.471   1.000 21.511 0 183 ARG   A HB3   1 c 
ATOM   1193 H  HG2   . ARG   A 1 72  ? -29.303 2.177   -1.661  1.000 24.564 0 183 ARG   A HG2   1 c 
ATOM   1194 H  HG3   . ARG   A 1 72  ? -28.731 0.802   -2.218  1.000 24.588 0 183 ARG   A HG3   1 c 
ATOM   1195 H  HD2   . ARG   A 1 72  ? -30.066 -0.376  -0.676  1.000 28.172 0 183 ARG   A HD2   1 c 
ATOM   1196 H  HD3   . ARG   A 1 72  ? -30.638 0.978   -0.112  1.000 28.305 0 183 ARG   A HD3   1 c 
ATOM   1197 H  HE    . ARG   A 1 72  ? -31.391 -0.175  -2.482  1.000 31.714 0 183 ARG   A HE    1 c 
ATOM   1198 H  HH11  . ARG   A 1 72  ? -33.195 2.951   -1.298  1.000 34.831 0 183 ARG   A HH11  1 c 
ATOM   1199 H  HH12  . ARG   A 1 72  ? -31.871 2.579   -0.637  1.000 34.831 0 183 ARG   A HH12  1 c 
ATOM   1200 H  HH21  . ARG   A 1 72  ? -34.142 1.596   -2.854  1.000 35.735 0 183 ARG   A HH21  1 c 
ATOM   1201 H  HH22  . ARG   A 1 72  ? -33.437 0.308   -3.291  1.000 35.676 0 183 ARG   A HH22  1 c 
ATOM   1202 N  N     . GLU   A 1 73  ? -25.605 3.420   1.014   1.000 17.290 0 184 GLU   A N     1 ? 
ATOM   1203 C  CA    . GLU   A 1 73  ? -24.759 3.637   2.189   1.000 16.967 0 184 GLU   A CA    1 ? 
ATOM   1204 C  C     . GLU   A 1 73  ? -25.349 3.023   3.467   1.000 17.300 0 184 GLU   A C     1 ? 
ATOM   1205 O  O     . GLU   A 1 73  ? -26.561 3.036   3.658   1.000 18.048 0 184 GLU   A O     1 ? 
ATOM   1206 C  CB    . GLU   A 1 73  ? -24.508 5.127   2.448   1.000 17.142 0 184 GLU   A CB    1 ? 
ATOM   1207 C  CG    . GLU   A 1 73  ? -23.658 5.798   1.373   1.000 17.217 0 184 GLU   A CG    1 ? 
ATOM   1208 C  CD    . GLU   A 1 73  ? -23.387 7.282   1.574   1.000 17.165 0 184 GLU   A CD    1 ? 
ATOM   1209 O  OE1   . GLU   A 1 73  ? -24.099 7.918   2.387   1.000 19.067 0 184 GLU   A OE1   1 ? 
ATOM   1210 O  OE2   . GLU   A 1 73  ? -22.424 7.780   0.937   1.000 16.573 0 184 GLU   A OE2   1 ? 
ATOM   1211 H  H     . GLU   A 1 73  ? -26.029 4.136   0.636   1.000 17.216 0 184 GLU   A H     1 c 
ATOM   1212 H  HA    . GLU   A 1 73  ? -23.883 3.208   2.015   1.000 16.988 0 184 GLU   A HA    1 c 
ATOM   1213 H  HB2   . GLU   A 1 73  ? -25.372 5.586   2.505   1.000 17.106 0 184 GLU   A HB2   1 c 
ATOM   1214 H  HB3   . GLU   A 1 73  ? -24.058 5.227   3.313   1.000 17.073 0 184 GLU   A HB3   1 c 
ATOM   1215 H  HG2   . GLU   A 1 73  ? -22.795 5.334   1.322   1.000 17.170 0 184 GLU   A HG2   1 c 
ATOM   1216 H  HG3   . GLU   A 1 73  ? -24.100 5.683   0.505   1.000 17.154 0 184 GLU   A HG3   1 c 
ATOM   1217 N  N     . GLU   A 1 74  ? -24.463 2.484   4.317   1.000 16.083 0 185 GLU   A N     1 ? 
ATOM   1218 C  CA    . GLU   A 1 74  ? -24.772 2.155   5.706   1.000 16.362 0 185 GLU   A CA    1 ? 
ATOM   1219 C  C     . GLU   A 1 74  ? -23.976 3.121   6.581   1.000 16.537 0 185 GLU   A C     1 ? 
ATOM   1220 O  O     . GLU   A 1 74  ? -22.750 3.162   6.492   1.000 17.198 0 185 GLU   A O     1 ? 
ATOM   1221 C  CB    . GLU   A 1 74  ? -24.434 0.682   5.965   1.000 17.013 0 185 GLU   A CB    1 ? 
ATOM   1222 C  CG    . GLU   A 1 74  ? -25.235 -0.310  5.117   1.000 17.865 0 185 GLU   A CG    1 ? 
ATOM   1223 C  CD    . GLU   A 1 74  ? -24.899 -1.779  5.346   1.000 18.298 0 185 GLU   A CD    1 ? 
ATOM   1224 O  OE1   . GLU   A 1 74  ? -24.662 -2.182  6.501   1.000 19.813 0 185 GLU   A OE1   1 ? 
ATOM   1225 O  OE2   . GLU   A 1 74  ? -24.898 -2.549  4.377   1.000 18.987 0 185 GLU   A OE2   1 ? 
ATOM   1226 H  H     . GLU   A 1 74  ? -23.620 2.310   4.011   1.000 16.343 0 185 GLU   A H     1 c 
ATOM   1227 H  HA    . GLU   A 1 74  ? -25.740 2.297   5.861   1.000 16.391 0 185 GLU   A HA    1 c 
ATOM   1228 H  HB2   . GLU   A 1 74  ? -23.480 0.544   5.789   1.000 16.992 0 185 GLU   A HB2   1 c 
ATOM   1229 H  HB3   . GLU   A 1 74  ? -24.593 0.486   6.912   1.000 16.901 0 185 GLU   A HB3   1 c 
ATOM   1230 H  HG2   . GLU   A 1 74  ? -26.191 -0.182  5.300   1.000 17.762 0 185 GLU   A HG2   1 c 
ATOM   1231 H  HG3   . GLU   A 1 74  ? -25.090 -0.106  4.169   1.000 17.874 0 185 GLU   A HG3   1 c 
ATOM   1232 N  N     . ARG   A 1 75  ? -24.674 3.908   7.403   1.000 16.767 0 186 ARG   A N     1 ? 
ATOM   1233 C  CA    . ARG   A 1 75  ? -24.034 4.932   8.221   1.000 17.496 0 186 ARG   A CA    1 ? 
ATOM   1234 C  C     . ARG   A 1 75  ? -24.113 4.587   9.710   1.000 18.858 0 186 ARG   A C     1 ? 
ATOM   1235 O  O     . ARG   A 1 75  ? -25.064 3.932   10.144  1.000 20.538 0 186 ARG   A O     1 ? 
ATOM   1236 C  CB    . ARG   A 1 75  ? -24.704 6.280   7.962   1.000 17.979 0 186 ARG   A CB    1 ? 
ATOM   1237 C  CG    . ARG   A 1 75  ? -24.324 6.848   6.607   1.000 18.114 0 186 ARG   A CG    1 ? 
ATOM   1238 C  CD    . ARG   A 1 75  ? -25.262 7.953   6.185   1.000 18.948 0 186 ARG   A CD    1 ? 
ATOM   1239 N  NE    . ARG   A 1 75  ? -24.681 8.686   5.057   1.000 19.833 0 186 ARG   A NE    1 ? 
ATOM   1240 C  CZ    . ARG   A 1 75  ? -23.989 9.822   5.153   1.000 19.012 0 186 ARG   A CZ    1 ? 
ATOM   1241 N  NH1   . ARG   A 1 75  ? -23.888 10.444  6.317   1.000 20.003 0 186 ARG   A NH1   1 ? 
ATOM   1242 N  NH2   . ARG   A 1 75  ? -23.394 10.325  4.083   1.000 18.684 0 186 ARG   A NH2   1 ? 
ATOM   1243 H  H     . ARG   A 1 75  ? -25.581 3.806   7.459   1.000 16.794 0 186 ARG   A H     1 c 
ATOM   1244 H  HA    . ARG   A 1 75  ? -23.084 4.996   7.959   1.000 17.582 0 186 ARG   A HA    1 c 
ATOM   1245 H  HB2   . ARG   A 1 75  ? -25.678 6.170   8.004   1.000 17.920 0 186 ARG   A HB2   1 c 
ATOM   1246 H  HB3   . ARG   A 1 75  ? -24.439 6.913   8.663   1.000 17.954 0 186 ARG   A HB3   1 c 
ATOM   1247 H  HG2   . ARG   A 1 75  ? -23.410 7.203   6.650   1.000 18.175 0 186 ARG   A HG2   1 c 
ATOM   1248 H  HG3   . ARG   A 1 75  ? -24.345 6.133   5.935   1.000 18.172 0 186 ARG   A HG3   1 c 
ATOM   1249 H  HD2   . ARG   A 1 75  ? -26.119 7.565   5.915   1.000 18.897 0 186 ARG   A HD2   1 c 
ATOM   1250 H  HD3   . ARG   A 1 75  ? -25.426 8.560   6.932   1.000 18.897 0 186 ARG   A HD3   1 c 
ATOM   1251 H  HE    . ARG   A 1 75  ? -24.795 8.354   4.260   1.000 19.614 0 186 ARG   A HE    1 c 
ATOM   1252 H  HH11  . ARG   A 1 75  ? -23.515 11.243  6.350   1.000 19.789 0 186 ARG   A HH11  1 c 
ATOM   1253 H  HH12  . ARG   A 1 75  ? -24.182 10.071  7.059   1.000 19.799 0 186 ARG   A HH12  1 c 
ATOM   1254 H  HH21  . ARG   A 1 75  ? -22.949 11.086  4.141   1.000 18.778 0 186 ARG   A HH21  1 c 
ATOM   1255 H  HH22  . ARG   A 1 75  ? -23.443 9.899   3.310   1.000 18.738 0 186 ARG   A HH22  1 c 
ATOM   1256 N  N     . GLN   A 1 76  ? -23.102 5.043   10.468  1.000 19.292 0 187 GLN   A N     1 ? 
ATOM   1257 C  CA    . GLN   A 1 76  ? -23.044 4.893   11.926  1.000 20.521 0 187 GLN   A CA    1 ? 
ATOM   1258 C  C     . GLN   A 1 76  ? -22.511 6.189   12.551  1.000 20.785 0 187 GLN   A C     1 ? 
ATOM   1259 O  O     . GLN   A 1 76  ? -21.481 6.688   12.109  1.000 21.316 0 187 GLN   A O     1 ? 
ATOM   1260 C  CB    . GLN   A 1 76  ? -22.133 3.701   12.264  1.000 22.876 0 187 GLN   A CB    1 ? 
ATOM   1261 C  CG    . GLN   A 1 76  ? -21.909 3.397   13.744  1.000 25.997 0 187 GLN   A CG    1 ? 
ATOM   1262 C  CD    . GLN   A 1 76  ? -23.190 3.291   14.544  1.000 29.533 0 187 GLN   A CD    1 ? 
ATOM   1263 O  OE1   . GLN   A 1 76  ? -23.427 4.049   15.489  1.000 33.099 0 187 GLN   A OE1   1 ? 
ATOM   1264 N  NE2   . GLN   A 1 76  ? -24.044 2.350   14.163  1.000 35.806 0 187 GLN   A NE2   1 ? 
ATOM   1265 H  H     . GLN   A 1 76  ? -22.409 5.469   10.052  1.000 19.363 0 187 GLN   A H     1 c 
ATOM   1266 H  HA    . GLN   A 1 76  ? -23.959 4.720   12.264  1.000 20.651 0 187 GLN   A HA    1 c 
ATOM   1267 H  HB2   . GLN   A 1 76  ? -22.509 2.902   11.839  1.000 22.727 0 187 GLN   A HB2   1 c 
ATOM   1268 H  HB3   . GLN   A 1 76  ? -21.259 3.864   11.851  1.000 22.708 0 187 GLN   A HB3   1 c 
ATOM   1269 H  HG2   . GLN   A 1 76  ? -21.420 2.550   13.827  1.000 25.789 0 187 GLN   A HG2   1 c 
ATOM   1270 H  HG3   . GLN   A 1 76  ? -21.350 4.099   14.138  1.000 25.685 0 187 GLN   A HG3   1 c 
ATOM   1271 H  HE21  . GLN   A 1 76  ? -23.841 1.809   13.490  1.000 34.652 0 187 GLN   A HE21  1 c 
ATOM   1272 H  HE22  . GLN   A 1 76  ? -24.821 2.264   14.582  1.000 34.579 0 187 GLN   A HE22  1 c 
ATOM   1273 N  N     A SER   A 1 77  ? -23.194 6.709   13.587  0.500 21.086 0 188 SER   A N     1 ? 
ATOM   1274 N  N     B SER   A 1 77  ? -23.184 6.700   13.593  0.500 20.321 0 188 SER   A N     1 ? 
ATOM   1275 C  CA    A SER   A 1 77  ? -22.782 7.936   14.268  0.500 22.032 0 188 SER   A CA    1 ? 
ATOM   1276 C  CA    B SER   A 1 77  ? -22.771 7.929   14.266  0.500 20.816 0 188 SER   A CA    1 ? 
ATOM   1277 C  C     A SER   A 1 77  ? -21.778 7.650   15.384  0.500 21.526 0 188 SER   A C     1 ? 
ATOM   1278 C  C     B SER   A 1 77  ? -21.777 7.649   15.390  0.500 20.663 0 188 SER   A C     1 ? 
ATOM   1279 O  O     A SER   A 1 77  ? -21.052 8.555   15.796  0.500 22.167 0 188 SER   A O     1 ? 
ATOM   1280 O  O     B SER   A 1 77  ? -21.052 8.554   15.806  0.500 20.703 0 188 SER   A O     1 ? 
ATOM   1281 C  CB    A SER   A 1 77  ? -23.965 8.717   14.808  0.500 23.662 0 188 SER   A CB    1 ? 
ATOM   1282 C  CB    B SER   A 1 77  ? -23.958 8.704   14.778  0.500 21.312 0 188 SER   A CB    1 ? 
ATOM   1283 O  OG    A SER   A 1 77  ? -24.499 8.121   15.980  0.500 24.846 0 188 SER   A OG    1 ? 
ATOM   1284 O  OG    B SER   A 1 77  ? -24.659 9.294   13.692  0.500 20.921 0 188 SER   A OG    1 ? 
ATOM   1285 H  H     A SER   A 1 77  ? -23.948 6.283   13.877  0.500 21.182 0 188 SER   A H     1 c 
ATOM   1286 H  H     B SER   A 1 77  ? -23.929 6.266   13.896  0.500 20.514 0 188 SER   A H     1 c 
ATOM   1287 H  HA    A SER   A 1 77  ? -22.328 8.511   13.600  0.500 22.013 0 188 SER   A HA    1 c 
ATOM   1288 H  HA    B SER   A 1 77  ? -22.312 8.498   13.597  0.500 20.807 0 188 SER   A HA    1 c 
ATOM   1289 H  HB2   A SER   A 1 77  ? -23.681 9.629   15.010  0.500 23.520 0 188 SER   A HB2   1 c 
ATOM   1290 H  HB2   B SER   A 1 77  ? -24.553 8.105   15.267  0.500 21.122 0 188 SER   A HB2   1 c 
ATOM   1291 H  HB3   A SER   A 1 77  ? -24.659 8.761   14.124  0.500 23.509 0 188 SER   A HB3   1 c 
ATOM   1292 H  HB3   B SER   A 1 77  ? -23.652 9.402   15.387  0.500 21.200 0 188 SER   A HB3   1 c 
ATOM   1293 H  HG    A SER   A 1 77  ? -25.099 8.677   16.313  0.000 28.935 0 188 SER   A HG    1 c 
ATOM   1294 H  HG    B SER   A 1 77  ? -25.305 9.752   13.953  0.000 22.100 0 188 SER   A HG    1 c 
ATOM   1295 N  N     . VAL   A 1 78  ? -21.739 6.410   15.887  1.000 20.067 0 189 VAL   A N     1 ? 
ATOM   1296 C  CA    . VAL   A 1 78  ? -20.738 6.056   16.882  1.000 19.824 0 189 VAL   A CA    1 ? 
ATOM   1297 C  C     . VAL   A 1 78  ? -19.392 6.202   16.181  1.000 18.861 0 189 VAL   A C     1 ? 
ATOM   1298 O  O     . VAL   A 1 78  ? -19.160 5.630   15.114  1.000 19.112 0 189 VAL   A O     1 ? 
ATOM   1299 C  CB    . VAL   A 1 78  ? -20.902 4.669   17.523  1.000 21.729 0 189 VAL   A CB    1 ? 
ATOM   1300 C  CG1   . VAL   A 1 78  ? -19.718 4.311   18.416  1.000 21.791 0 189 VAL   A CG1   1 ? 
ATOM   1301 C  CG2   . VAL   A 1 78  ? -22.188 4.611   18.336  1.000 23.239 0 189 VAL   A CG2   1 ? 
ATOM   1302 H  H     . VAL   A 1 78  ? -22.344 5.783   15.613  1.000 20.384 0 189 VAL   A H     1 c 
ATOM   1303 H  HA    . VAL   A 1 78  ? -20.783 6.718   17.600  1.000 19.900 0 189 VAL   A HA    1 c 
ATOM   1304 H  HB    . VAL   A 1 78  ? -20.961 4.009   16.794  1.000 21.566 0 189 VAL   A HB    1 c 
ATOM   1305 H  HG11  . VAL   A 1 78  ? -19.612 4.989   19.104  1.000 21.810 0 189 VAL   A HG11  1 c 
ATOM   1306 H  HG12  . VAL   A 1 78  ? -18.908 4.262   17.882  1.000 21.762 0 189 VAL   A HG12  1 c 
ATOM   1307 H  HG13  . VAL   A 1 78  ? -19.878 3.449   18.836  1.000 21.797 0 189 VAL   A HG13  1 c 
ATOM   1308 H  HG21  . VAL   A 1 78  ? -22.305 3.715   18.695  1.000 22.891 0 189 VAL   A HG21  1 c 
ATOM   1309 H  HG22  . VAL   A 1 78  ? -22.944 4.834   17.769  1.000 22.948 0 189 VAL   A HG22  1 c 
ATOM   1310 H  HG23  . VAL   A 1 78  ? -22.137 5.246   19.069  1.000 23.050 0 189 VAL   A HG23  1 c 
ATOM   1311 N  N     . PHE   A 1 79  ? -18.539 7.045   16.746  1.000 17.660 0 190 PHE   A N     1 ? 
ATOM   1312 C  CA    . PHE   A 1 79  ? -17.350 7.520   16.063  1.000 16.596 0 190 PHE   A CA    1 ? 
ATOM   1313 C  C     . PHE   A 1 79  ? -16.180 7.441   17.030  1.000 17.329 0 190 PHE   A C     1 ? 
ATOM   1314 O  O     . PHE   A 1 79  ? -16.013 8.316   17.881  1.000 19.782 0 190 PHE   A O     1 ? 
ATOM   1315 C  CB    . PHE   A 1 79  ? -17.578 8.950   15.585  1.000 16.177 0 190 PHE   A CB    1 ? 
ATOM   1316 C  CG    . PHE   A 1 79  ? -16.516 9.406   14.607  1.000 15.784 0 190 PHE   A CG    1 ? 
ATOM   1317 C  CD1   . PHE   A 1 79  ? -15.330 9.992   15.020  1.000 15.870 0 190 PHE   A CD1   1 ? 
ATOM   1318 C  CD2   . PHE   A 1 79  ? -16.718 9.228   13.248  1.000 15.458 0 190 PHE   A CD2   1 ? 
ATOM   1319 C  CE1   . PHE   A 1 79  ? -14.389 10.414  14.101  1.000 16.163 0 190 PHE   A CE1   1 ? 
ATOM   1320 C  CE2   . PHE   A 1 79  ? -15.775 9.650   12.322  1.000 15.757 0 190 PHE   A CE2   1 ? 
ATOM   1321 C  CZ    . PHE   A 1 79  ? -14.605 10.231  12.753  1.000 15.877 0 190 PHE   A CZ    1 ? 
ATOM   1322 H  H     . PHE   A 1 79  ? -18.702 7.339   17.596  1.000 17.572 0 190 PHE   A H     1 c 
ATOM   1323 H  HA    . PHE   A 1 79  ? -17.169 6.942   15.278  1.000 16.647 0 190 PHE   A HA    1 c 
ATOM   1324 H  HB2   . PHE   A 1 79  ? -18.459 9.001   15.151  1.000 16.166 0 190 PHE   A HB2   1 c 
ATOM   1325 H  HB3   . PHE   A 1 79  ? -17.583 9.551   16.363  1.000 16.241 0 190 PHE   A HB3   1 c 
ATOM   1326 H  HD1   . PHE   A 1 79  ? -15.174 10.123  15.941  1.000 15.822 0 190 PHE   A HD1   1 c 
ATOM   1327 H  HD2   . PHE   A 1 79  ? -17.521 8.831   12.949  1.000 15.544 0 190 PHE   A HD2   1 c 
ATOM   1328 H  HE1   . PHE   A 1 79  ? -13.586 10.811  14.399  1.000 16.003 0 190 PHE   A HE1   1 c 
ATOM   1329 H  HE2   . PHE   A 1 79  ? -15.929 9.522   11.399  1.000 15.773 0 190 PHE   A HE2   1 c 
ATOM   1330 H  HZ    . PHE   A 1 79  ? -13.958 10.514  12.126  1.000 15.847 0 190 PHE   A HZ    1 c 
ATOM   1331 N  N     . PRO   A 1 80  ? -15.398 6.346   16.991  1.000 16.716 0 191 PRO   A N     1 ? 
ATOM   1332 C  CA    . PRO   A 1 80  ? -14.368 6.128   18.008  1.000 18.043 0 191 PRO   A CA    1 ? 
ATOM   1333 C  C     . PRO   A 1 80  ? -13.019 6.812   17.808  1.000 18.352 0 191 PRO   A C     1 ? 
ATOM   1334 O  O     . PRO   A 1 80  ? -12.151 6.712   18.667  1.000 20.536 0 191 PRO   A O     1 ? 
ATOM   1335 C  CB    . PRO   A 1 80  ? -14.237 4.596   17.984  1.000 18.559 0 191 PRO   A CB    1 ? 
ATOM   1336 C  CG    . PRO   A 1 80  ? -14.512 4.226   16.559  1.000 18.762 0 191 PRO   A CG    1 ? 
ATOM   1337 C  CD    . PRO   A 1 80  ? -15.581 5.197   16.092  1.000 18.406 0 191 PRO   A CD    1 ? 
ATOM   1338 H  HA    . PRO   A 1 80  ? -14.738 6.403   18.884  1.000 18.032 0 191 PRO   A HA    1 c 
ATOM   1339 H  HB2   . PRO   A 1 80  ? -13.331 4.314   18.253  1.000 18.487 0 191 PRO   A HB2   1 c 
ATOM   1340 H  HB3   . PRO   A 1 80  ? -14.895 4.177   18.589  1.000 18.451 0 191 PRO   A HB3   1 c 
ATOM   1341 H  HG2   . PRO   A 1 80  ? -13.702 4.317   16.014  1.000 18.682 0 191 PRO   A HG2   1 c 
ATOM   1342 H  HG3   . PRO   A 1 80  ? -14.832 3.302   16.495  1.000 18.655 0 191 PRO   A HG3   1 c 
ATOM   1343 H  HD2   . PRO   A 1 80  ? -15.440 5.453   15.153  1.000 18.422 0 191 PRO   A HD2   1 c 
ATOM   1344 H  HD3   . PRO   A 1 80  ? -16.478 4.808   16.191  1.000 18.117 0 191 PRO   A HD3   1 c 
ATOM   1345 N  N     . PHE   A 1 81  ? -12.860 7.533   16.699  1.000 16.658 0 192 PHE   A N     1 ? 
ATOM   1346 C  CA    . PHE   A 1 81  ? -11.597 8.152   16.334  1.000 16.264 0 192 PHE   A CA    1 ? 
ATOM   1347 C  C     . PHE   A 1 81  ? -11.534 9.553   16.920  1.000 17.349 0 192 PHE   A C     1 ? 
ATOM   1348 O  O     . PHE   A 1 81  ? -12.556 10.212  17.094  1.000 19.006 0 192 PHE   A O     1 ? 
ATOM   1349 C  CB    . PHE   A 1 81  ? -11.420 8.245   14.813  1.000 15.731 0 192 PHE   A CB    1 ? 
ATOM   1350 C  CG    . PHE   A 1 81  ? -11.483 6.898   14.119  1.000 14.781 0 192 PHE   A CG    1 ? 
ATOM   1351 C  CD1   . PHE   A 1 81  ? -10.366 6.083   14.055  1.000 14.858 0 192 PHE   A CD1   1 ? 
ATOM   1352 C  CD2   . PHE   A 1 81  ? -12.679 6.432   13.595  1.000 14.873 0 192 PHE   A CD2   1 ? 
ATOM   1353 C  CE1   . PHE   A 1 81  ? -10.444 4.837   13.461  1.000 14.570 0 192 PHE   A CE1   1 ? 
ATOM   1354 C  CE2   . PHE   A 1 81  ? -12.751 5.173   13.033  1.000 14.877 0 192 PHE   A CE2   1 ? 
ATOM   1355 C  CZ    . PHE   A 1 81  ? -11.636 4.386   12.953  1.000 14.829 0 192 PHE   A CZ    1 ? 
ATOM   1356 H  H     . PHE   A 1 81  ? -13.574 7.646   16.140  1.000 16.883 0 192 PHE   A H     1 c 
ATOM   1357 H  HA    . PHE   A 1 81  ? -10.853 7.610   16.711  1.000 16.436 0 192 PHE   A HA    1 c 
ATOM   1358 H  HB2   . PHE   A 1 81  ? -12.124 8.825   14.450  1.000 15.544 0 192 PHE   A HB2   1 c 
ATOM   1359 H  HB3   . PHE   A 1 81  ? -10.551 8.663   14.623  1.000 15.561 0 192 PHE   A HB3   1 c 
ATOM   1360 H  HD1   . PHE   A 1 81  ? -9.547  6.383   14.416  1.000 14.761 0 192 PHE   A HD1   1 c 
ATOM   1361 H  HD2   . PHE   A 1 81  ? -13.456 6.964   13.658  1.000 14.839 0 192 PHE   A HD2   1 c 
ATOM   1362 H  HE1   . PHE   A 1 81  ? -9.675  4.291   13.412  1.000 14.611 0 192 PHE   A HE1   1 c 
ATOM   1363 H  HE2   . PHE   A 1 81  ? -13.566 4.871   12.664  1.000 14.816 0 192 PHE   A HE2   1 c 
ATOM   1364 H  HZ    . PHE   A 1 81  ? -11.683 3.540   12.538  1.000 14.788 0 192 PHE   A HZ    1 c 
ATOM   1365 N  N     . GLU   A 1 82  ? -10.309 9.999   17.179  1.000 17.813 0 193 GLU   A N     1 ? 
ATOM   1366 C  CA    . GLU   A 1 82  ? -10.079 11.368  17.603  1.000 18.315 0 193 GLU   A CA    1 ? 
ATOM   1367 C  C     . GLU   A 1 82  ? -8.861  11.897  16.854  1.000 17.910 0 193 GLU   A C     1 ? 
ATOM   1368 O  O     . GLU   A 1 82  ? -7.854  11.204  16.744  1.000 18.715 0 193 GLU   A O     1 ? 
ATOM   1369 C  CB    . GLU   A 1 82  ? -9.871  11.447  19.118  1.000 18.801 0 193 GLU   A CB    1 ? 
ATOM   1370 C  CG    . GLU   A 1 82  ? -11.087 11.042  19.947  1.000 21.128 0 193 GLU   A CG    1 ? 
ATOM   1371 C  CD    . GLU   A 1 82  ? -12.260 12.000  19.848  1.000 22.898 0 193 GLU   A CD    1 ? 
ATOM   1372 O  OE1   . GLU   A 1 82  ? -13.398 11.536  20.060  1.000 24.160 0 193 GLU   A OE1   1 ? 
ATOM   1373 O  OE2   . GLU   A 1 82  ? -12.049 13.202  19.568  1.000 26.120 0 193 GLU   A OE2   1 ? 
ATOM   1374 H  H     . GLU   A 1 82  ? -9.594  9.437   17.091  1.000 17.803 0 193 GLU   A H     1 c 
ATOM   1375 H  HA    . GLU   A 1 82  ? -10.868 11.913  17.355  1.000 18.217 0 193 GLU   A HA    1 c 
ATOM   1376 H  HB2   . GLU   A 1 82  ? -9.124  10.861  19.361  1.000 19.065 0 193 GLU   A HB2   1 c 
ATOM   1377 H  HB3   . GLU   A 1 82  ? -9.618  12.364  19.353  1.000 19.024 0 193 GLU   A HB3   1 c 
ATOM   1378 H  HG2   . GLU   A 1 82  ? -11.387 10.153  19.662  1.000 20.880 0 193 GLU   A HG2   1 c 
ATOM   1379 H  HG3   . GLU   A 1 82  ? -10.821 10.974  20.889  1.000 20.960 0 193 GLU   A HG3   1 c 
ATOM   1380 N  N     . SER   A 1 83  ? -8.963  13.139  16.374  1.000 19.290 0 194 SER   A N     1 ? 
ATOM   1381 C  CA    . SER   A 1 83  ? -7.851  13.837  15.752  1.000 20.582 0 194 SER   A CA    1 ? 
ATOM   1382 C  C     . SER   A 1 83  ? -6.628  13.810  16.668  1.000 18.268 0 194 SER   A C     1 ? 
ATOM   1383 O  O     . SER   A 1 83  ? -6.735  14.097  17.866  1.000 19.439 0 194 SER   A O     1 ? 
ATOM   1384 C  CB    . SER   A 1 83  ? -8.254  15.250  15.403  1.000 23.760 0 194 SER   A CB    1 ? 
ATOM   1385 O  OG    . SER   A 1 83  ? -9.462  15.249  14.654  1.000 28.764 0 194 SER   A OG    1 ? 
ATOM   1386 H  H     . SER   A 1 83  ? -9.767  13.570  16.437  1.000 19.180 0 194 SER   A H     1 c 
ATOM   1387 H  HA    . SER   A 1 83  ? -7.623  13.363  14.913  1.000 20.212 0 194 SER   A HA    1 c 
ATOM   1388 H  HB2   . SER   A 1 83  ? -8.377  15.765  16.223  1.000 23.720 0 194 SER   A HB2   1 c 
ATOM   1389 H  HB3   . SER   A 1 83  ? -7.546  15.668  14.879  1.000 23.728 0 194 SER   A HB3   1 c 
ATOM   1390 H  HG    . SER   A 1 83  ? -9.717  16.090  14.554  0.000 37.589 0 194 SER   A HG    1 c 
ATOM   1391 N  N     . GLY   A 1 84  ? -5.475  13.423  16.107  1.000 17.149 0 195 GLY   A N     1 ? 
ATOM   1392 C  CA    . GLY   A 1 84  ? -4.218  13.404  16.844  1.000 17.112 0 195 GLY   A CA    1 ? 
ATOM   1393 C  C     . GLY   A 1 84  ? -3.932  12.108  17.607  1.000 16.302 0 195 GLY   A C     1 ? 
ATOM   1394 O  O     . GLY   A 1 84  ? -2.839  11.986  18.174  1.000 17.797 0 195 GLY   A O     1 ? 
ATOM   1395 H  H     . GLY   A 1 84  ? -5.471  13.166  15.230  1.000 17.377 0 195 GLY   A H     1 c 
ATOM   1396 H  HA2   . GLY   A 1 84  ? -3.482  13.565  16.209  1.000 16.944 0 195 GLY   A HA2   1 c 
ATOM   1397 H  HA3   . GLY   A 1 84  ? -4.219  14.154  17.485  1.000 16.971 0 195 GLY   A HA3   1 c 
ATOM   1398 N  N     . LYS   A 1 85  ? -4.897  11.177  17.708  1.000 15.014 0 196 LYS   A N     1 ? 
ATOM   1399 C  CA    . LYS   A 1 85  ? -4.736  10.039  18.602  1.000 14.885 0 196 LYS   A CA    1 ? 
ATOM   1400 C  C     . LYS   A 1 85  ? -4.411  8.761   17.836  1.000 14.836 0 196 LYS   A C     1 ? 
ATOM   1401 O  O     . LYS   A 1 85  ? -4.862  8.543   16.696  1.000 15.549 0 196 LYS   A O     1 ? 
ATOM   1402 C  CB    . LYS   A 1 85  ? -6.009  9.763   19.402  1.000 15.215 0 196 LYS   A CB    1 ? 
ATOM   1403 C  CG    . LYS   A 1 85  ? -6.361  10.833  20.412  1.000 15.069 0 196 LYS   A CG    1 ? 
ATOM   1404 C  CD    . LYS   A 1 85  ? -7.256  10.319  21.530  1.000 15.318 0 196 LYS   A CD    1 ? 
ATOM   1405 C  CE    . LYS   A 1 85  ? -7.976  11.420  22.252  1.000 15.709 0 196 LYS   A CE    1 ? 
ATOM   1406 N  NZ    . LYS   A 1 85  ? -8.662  10.948  23.456  1.000 15.789 0 196 LYS   A NZ    1 ? 
ATOM   1407 H  H     . LYS   A 1 85  ? -5.659  11.247  17.210  1.000 15.167 0 196 LYS   A H     1 c 
ATOM   1408 H  HA    . LYS   A 1 85  ? -3.999  10.236  19.231  1.000 14.909 0 196 LYS   A HA    1 c 
ATOM   1409 H  HB2   . LYS   A 1 85  ? -6.759  9.666   18.777  1.000 15.033 0 196 LYS   A HB2   1 c 
ATOM   1410 H  HB3   . LYS   A 1 85  ? -5.906  8.911   19.877  1.000 15.076 0 196 LYS   A HB3   1 c 
ATOM   1411 H  HG2   . LYS   A 1 85  ? -5.531  11.186  20.799  1.000 15.054 0 196 LYS   A HG2   1 c 
ATOM   1412 H  HG3   . LYS   A 1 85  ? -6.817  11.567  19.946  1.000 15.047 0 196 LYS   A HG3   1 c 
ATOM   1413 H  HD2   . LYS   A 1 85  ? -7.916  9.699   21.151  1.000 15.218 0 196 LYS   A HD2   1 c 
ATOM   1414 H  HD3   . LYS   A 1 85  ? -6.707  9.820   22.173  1.000 15.211 0 196 LYS   A HD3   1 c 
ATOM   1415 H  HE2   . LYS   A 1 85  ? -7.339  12.114  22.502  1.000 15.625 0 196 LYS   A HE2   1 c 
ATOM   1416 H  HE3   . LYS   A 1 85  ? -8.632  11.820  21.654  1.000 15.642 0 196 LYS   A HE3   1 c 
ATOM   1417 H  HZ1   . LYS   A 1 85  ? -8.066  10.556  24.014  1.000 15.694 0 196 LYS   A HZ1   1 c 
ATOM   1418 H  HZ2   . LYS   A 1 85  ? -9.298  10.343  23.228  1.000 15.743 0 196 LYS   A HZ2   1 c 
ATOM   1419 H  HZ3   . LYS   A 1 85  ? -9.053  11.646  23.880  1.000 15.707 0 196 LYS   A HZ3   1 c 
ATOM   1420 N  N     . PRO   A 1 86  ? -3.618  7.867   18.467  1.000 14.873 0 197 PRO   A N     1 ? 
ATOM   1421 C  CA    . PRO   A 1 86  ? -3.325  6.547   17.924  1.000 15.198 0 197 PRO   A CA    1 ? 
ATOM   1422 C  C     . PRO   A 1 86  ? -4.564  5.664   17.954  1.000 14.985 0 197 PRO   A C     1 ? 
ATOM   1423 O  O     . PRO   A 1 86  ? -5.328  5.673   18.910  1.000 14.915 0 197 PRO   A O     1 ? 
ATOM   1424 C  CB    . PRO   A 1 86  ? -2.199  6.008   18.800  1.000 16.537 0 197 PRO   A CB    1 ? 
ATOM   1425 C  CG    . PRO   A 1 86  ? -2.366  6.737   20.094  1.000 16.949 0 197 PRO   A CG    1 ? 
ATOM   1426 C  CD    . PRO   A 1 86  ? -2.990  8.076   19.781  1.000 15.711 0 197 PRO   A CD    1 ? 
ATOM   1427 H  HA    . PRO   A 1 86  ? -3.002  6.647   16.998  1.000 15.166 0 197 PRO   A HA    1 c 
ATOM   1428 H  HB2   . PRO   A 1 86  ? -2.288  5.035   18.930  1.000 16.279 0 197 PRO   A HB2   1 c 
ATOM   1429 H  HB3   . PRO   A 1 86  ? -1.319  6.200   18.399  1.000 16.301 0 197 PRO   A HB3   1 c 
ATOM   1430 H  HG2   . PRO   A 1 86  ? -2.944  6.228   20.700  1.000 16.646 0 197 PRO   A HG2   1 c 
ATOM   1431 H  HG3   . PRO   A 1 86  ? -1.498  6.863   20.529  1.000 16.692 0 197 PRO   A HG3   1 c 
ATOM   1432 H  HD2   . PRO   A 1 86  ? -3.659  8.317   20.460  1.000 15.717 0 197 PRO   A HD2   1 c 
ATOM   1433 H  HD3   . PRO   A 1 86  ? -2.306  8.780   19.739  1.000 15.672 0 197 PRO   A HD3   1 c 
ATOM   1434 N  N     . PHE   A 1 87  ? -4.736  4.896   16.872  1.000 15.371 0 198 PHE   A N     1 ? 
ATOM   1435 C  CA    . PHE   A 1 87  ? -5.883  4.020   16.713  1.000 14.872 0 198 PHE   A CA    1 ? 
ATOM   1436 C  C     . PHE   A 1 87  ? -5.432  2.635   16.251  1.000 14.236 0 198 PHE   A C     1 ? 
ATOM   1437 O  O     . PHE   A 1 87  ? -4.344  2.457   15.682  1.000 14.115 0 198 PHE   A O     1 ? 
ATOM   1438 C  CB    . PHE   A 1 87  ? -6.894  4.601   15.717  1.000 15.175 0 198 PHE   A CB    1 ? 
ATOM   1439 C  CG    . PHE   A 1 87  ? -6.368  4.636   14.291  1.000 15.462 0 198 PHE   A CG    1 ? 
ATOM   1440 C  CD1   . PHE   A 1 87  ? -6.442  3.517   13.473  1.000 15.599 0 198 PHE   A CD1   1 ? 
ATOM   1441 C  CD2   . PHE   A 1 87  ? -5.765  5.780   13.806  1.000 16.541 0 198 PHE   A CD2   1 ? 
ATOM   1442 C  CE1   . PHE   A 1 87  ? -5.934  3.547   12.187  1.000 16.162 0 198 PHE   A CE1   1 ? 
ATOM   1443 C  CE2   . PHE   A 1 87  ? -5.260  5.814   12.523  1.000 17.407 0 198 PHE   A CE2   1 ? 
ATOM   1444 C  CZ    . PHE   A 1 87  ? -5.361  4.707   11.703  1.000 17.116 0 198 PHE   A CZ    1 ? 
ATOM   1445 H  H     . PHE   A 1 87  ? -4.111  4.921   16.206  1.000 15.030 0 198 PHE   A H     1 c 
ATOM   1446 H  HA    . PHE   A 1 87  ? -6.331  3.926   17.594  1.000 14.750 0 198 PHE   A HA    1 c 
ATOM   1447 H  HB2   . PHE   A 1 87  ? -7.713  4.058   15.744  1.000 15.167 0 198 PHE   A HB2   1 c 
ATOM   1448 H  HB3   . PHE   A 1 87  ? -7.123  5.515   15.997  1.000 15.171 0 198 PHE   A HB3   1 c 
ATOM   1449 H  HD1   . PHE   A 1 87  ? -6.841  2.727   13.800  1.000 15.594 0 198 PHE   A HD1   1 c 
ATOM   1450 H  HD2   . PHE   A 1 87  ? -5.701  6.543   14.356  1.000 16.207 0 198 PHE   A HD2   1 c 
ATOM   1451 H  HE1   . PHE   A 1 87  ? -6.004  2.785   11.634  1.000 16.184 0 198 PHE   A HE1   1 c 
ATOM   1452 H  HE2   . PHE   A 1 87  ? -4.866  6.606   12.195  1.000 17.083 0 198 PHE   A HE2   1 c 
ATOM   1453 H  HZ    . PHE   A 1 87  ? -5.012  4.733   10.826  1.000 16.789 0 198 PHE   A HZ    1 c 
ATOM   1454 N  N     . LYS   A 1 88  ? -6.330  1.678   16.458  1.000 14.154 0 199 LYS   A N     1 ? 
ATOM   1455 C  CA    . LYS   A 1 88  ? -6.234  0.347   15.888  1.000 13.885 0 199 LYS   A CA    1 ? 
ATOM   1456 C  C     . LYS   A 1 88  ? -7.593  0.014   15.298  1.000 13.545 0 199 LYS   A C     1 ? 
ATOM   1457 O  O     . LYS   A 1 88  ? -8.608  0.015   15.977  1.000 15.240 0 199 LYS   A O     1 ? 
ATOM   1458 C  CB    . LYS   A 1 88  ? -5.898  -0.671  16.980  1.000 14.476 0 199 LYS   A CB    1 ? 
ATOM   1459 C  CG    . LYS   A 1 88  ? -5.873  -2.121  16.526  1.000 15.214 0 199 LYS   A CG    1 ? 
ATOM   1460 C  CD    . LYS   A 1 88  ? -5.341  -3.073  17.587  1.000 16.440 0 199 LYS   A CD    1 ? 
ATOM   1461 C  CE    . LYS   A 1 88  ? -6.273  -3.238  18.746  1.000 17.167 0 199 LYS   A CE    1 ? 
ATOM   1462 N  NZ    . LYS   A 1 88  ? -5.660  -4.067  19.784  1.000 20.232 0 199 LYS   A NZ    1 ? 
ATOM   1463 H  H     . LYS   A 1 88  ? -7.048  1.867   16.991  1.000 14.012 0 199 LYS   A H     1 c 
ATOM   1464 H  HA    . LYS   A 1 88  ? -5.545  0.342   15.181  1.000 13.986 0 199 LYS   A HA    1 c 
ATOM   1465 H  HB2   . LYS   A 1 88  ? -5.020  -0.450  17.354  1.000 14.428 0 199 LYS   A HB2   1 c 
ATOM   1466 H  HB3   . LYS   A 1 88  ? -6.558  -0.583  17.701  1.000 14.478 0 199 LYS   A HB3   1 c 
ATOM   1467 H  HG2   . LYS   A 1 88  ? -6.785  -2.391  16.284  1.000 15.240 0 199 LYS   A HG2   1 c 
ATOM   1468 H  HG3   . LYS   A 1 88  ? -5.313  -2.189  15.722  1.000 15.236 0 199 LYS   A HG3   1 c 
ATOM   1469 H  HD2   . LYS   A 1 88  ? -5.182  -3.952  17.178  1.000 16.247 0 199 LYS   A HD2   1 c 
ATOM   1470 H  HD3   . LYS   A 1 88  ? -4.480  -2.734  17.916  1.000 16.294 0 199 LYS   A HD3   1 c 
ATOM   1471 H  HE2   . LYS   A 1 88  ? -6.498  -2.370  19.123  1.000 17.354 0 199 LYS   A HE2   1 c 
ATOM   1472 H  HE3   . LYS   A 1 88  ? -7.097  -3.662  18.445  1.000 17.380 0 199 LYS   A HE3   1 c 
ATOM   1473 H  HZ1   . LYS   A 1 88  ? -4.891  -3.682  20.067  1.000 19.468 0 199 LYS   A HZ1   1 c 
ATOM   1474 H  HZ2   . LYS   A 1 88  ? -5.476  -4.889  19.449  1.000 19.529 0 199 LYS   A HZ2   1 c 
ATOM   1475 H  HZ3   . LYS   A 1 88  ? -6.223  -4.152  20.485  1.000 19.601 0 199 LYS   A HZ3   1 c 
ATOM   1476 N  N     . ILE   A 1 89  ? -7.622  -0.212  13.977  1.000 13.181 0 200 ILE   A N     1 ? 
ATOM   1477 C  CA    . ILE   A 1 89  ? -8.810  -0.736  13.309  1.000 13.315 0 200 ILE   A CA    1 ? 
ATOM   1478 C  C     . ILE   A 1 89  ? -8.570  -2.220  13.076  1.000 13.280 0 200 ILE   A C     1 ? 
ATOM   1479 O  O     . ILE   A 1 89  ? -7.564  -2.594  12.464  1.000 13.904 0 200 ILE   A O     1 ? 
ATOM   1480 C  CB    . ILE   A 1 89  ? -9.113  -0.033  11.970  1.000 13.526 0 200 ILE   A CB    1 ? 
ATOM   1481 C  CG1   . ILE   A 1 89  ? -9.265  1.468   12.151  1.000 13.703 0 200 ILE   A CG1   1 ? 
ATOM   1482 C  CG2   . ILE   A 1 89  ? -10.347 -0.654  11.316  1.000 13.567 0 200 ILE   A CG2   1 ? 
ATOM   1483 C  CD1   . ILE   A 1 89  ? -9.203  2.238   10.849  1.000 13.961 0 200 ILE   A CD1   1 ? 
ATOM   1484 H  H     . ILE   A 1 89  ? -6.880  -0.033  13.475  1.000 13.266 0 200 ILE   A H     1 c 
ATOM   1485 H  HA    . ILE   A 1 89  ? -9.580  -0.626  13.899  1.000 13.278 0 200 ILE   A HA    1 c 
ATOM   1486 H  HB    . ILE   A 1 89  ? -8.350  -0.184  11.376  1.000 13.468 0 200 ILE   A HB    1 c 
ATOM   1487 H  HG12  . ILE   A 1 89  ? -10.124 1.648   12.586  1.000 13.683 0 200 ILE   A HG12  1 c 
ATOM   1488 H  HG13  . ILE   A 1 89  ? -8.556  1.789   12.743  1.000 13.686 0 200 ILE   A HG13  1 c 
ATOM   1489 H  HG21  . ILE   A 1 89  ? -10.541 -0.194  10.482  1.000 13.557 0 200 ILE   A HG21  1 c 
ATOM   1490 H  HG22  . ILE   A 1 89  ? -11.109 -0.570  11.914  1.000 13.564 0 200 ILE   A HG22  1 c 
ATOM   1491 H  HG23  . ILE   A 1 89  ? -10.183 -1.594  11.132  1.000 13.531 0 200 ILE   A HG23  1 c 
ATOM   1492 H  HD11  . ILE   A 1 89  ? -8.352  2.057   10.405  1.000 13.899 0 200 ILE   A HD11  1 c 
ATOM   1493 H  HD12  . ILE   A 1 89  ? -9.274  3.194   11.033  1.000 13.899 0 200 ILE   A HD12  1 c 
ATOM   1494 H  HD13  . ILE   A 1 89  ? -9.936  1.967   10.266  1.000 13.940 0 200 ILE   A HD13  1 c 
ATOM   1495 N  N     . GLN   A 1 90  ? -9.520  -3.044  13.507  1.000 13.556 0 201 GLN   A N     1 ? 
ATOM   1496 C  CA    . GLN   A 1 90  ? -9.470  -4.474  13.244  1.000 13.813 0 201 GLN   A CA    1 ? 
ATOM   1497 C  C     . GLN   A 1 90  ? -10.706 -4.877  12.467  1.000 13.451 0 201 GLN   A C     1 ? 
ATOM   1498 O  O     . GLN   A 1 90  ? -11.823 -4.587  12.847  1.000 14.610 0 201 GLN   A O     1 ? 
ATOM   1499 C  CB    . GLN   A 1 90  ? -9.335  -5.270  14.535  1.000 14.429 0 201 GLN   A CB    1 ? 
ATOM   1500 C  CG    . GLN   A 1 90  ? -7.965  -5.049  15.152  1.000 16.308 0 201 GLN   A CG    1 ? 
ATOM   1501 C  CD    . GLN   A 1 90  ? -7.762  -5.820  16.427  1.000 18.928 0 201 GLN   A CD    1 ? 
ATOM   1502 O  OE1   . GLN   A 1 90  ? -8.556  -5.706  17.367  1.000 20.442 0 201 GLN   A OE1   1 ? 
ATOM   1503 N  NE2   . GLN   A 1 90  ? -6.694  -6.605  16.464  1.000 21.016 0 201 GLN   A NE2   1 ? 
ATOM   1504 H  H     . GLN   A 1 90  ? -10.224 -2.710  13.984  1.000 13.524 0 201 GLN   A H     1 c 
ATOM   1505 H  HA    . GLN   A 1 90  ? -8.673  -4.659  12.691  1.000 13.758 0 201 GLN   A HA    1 c 
ATOM   1506 H  HB2   . GLN   A 1 90  ? -10.030 -4.989  15.167  1.000 14.531 0 201 GLN   A HB2   1 c 
ATOM   1507 H  HB3   . GLN   A 1 90  ? -9.461  -6.222  14.346  1.000 14.498 0 201 GLN   A HB3   1 c 
ATOM   1508 H  HG2   . GLN   A 1 90  ? -7.275  -5.311  14.506  1.000 16.239 0 201 GLN   A HG2   1 c 
ATOM   1509 H  HG3   . GLN   A 1 90  ? -7.847  -4.095  15.340  1.000 16.228 0 201 GLN   A HG3   1 c 
ATOM   1510 H  HE21  . GLN   A 1 90  ? -6.150  -6.660  15.766  1.000 20.508 0 201 GLN   A HE21  1 c 
ATOM   1511 H  HE22  . GLN   A 1 90  ? -6.524  -7.079  17.194  1.000 20.630 0 201 GLN   A HE22  1 c 
ATOM   1512 N  N     . VAL   A 1 91  ? -10.457 -5.488  11.312  1.000 13.255 0 202 VAL   A N     1 ? 
ATOM   1513 C  CA    . VAL   A 1 91  ? -11.509 -6.014  10.459  1.000 13.332 0 202 VAL   A CA    1 ? 
ATOM   1514 C  C     . VAL   A 1 91  ? -11.416 -7.531  10.509  1.000 13.413 0 202 VAL   A C     1 ? 
ATOM   1515 O  O     . VAL   A 1 91  ? -10.427 -8.112  10.066  1.000 14.009 0 202 VAL   A O     1 ? 
ATOM   1516 C  CB    . VAL   A 1 91  ? -11.397 -5.503  9.011   1.000 13.691 0 202 VAL   A CB    1 ? 
ATOM   1517 C  CG1   . VAL   A 1 91  ? -12.559 -6.013  8.179   1.000 13.957 0 202 VAL   A CG1   1 ? 
ATOM   1518 C  CG2   . VAL   A 1 91  ? -11.325 -3.981  8.957   1.000 13.675 0 202 VAL   A CG2   1 ? 
ATOM   1519 H  H     . VAL   A 1 91  ? -9.590  -5.581  11.039  1.000 13.288 0 202 VAL   A H     1 c 
ATOM   1520 H  HA    . VAL   A 1 91  ? -12.373 -5.737  10.819  1.000 13.364 0 202 VAL   A HA    1 c 
ATOM   1521 H  HB    . VAL   A 1 91  ? -10.561 -5.865  8.634   1.000 13.629 0 202 VAL   A HB    1 c 
ATOM   1522 H  HG11  . VAL   A 1 91  ? -13.396 -5.725  8.580   1.000 13.876 0 202 VAL   A HG11  1 c 
ATOM   1523 H  HG12  . VAL   A 1 91  ? -12.534 -6.983  8.142   1.000 13.855 0 202 VAL   A HG12  1 c 
ATOM   1524 H  HG13  . VAL   A 1 91  ? -12.494 -5.655  7.278   1.000 13.862 0 202 VAL   A HG13  1 c 
ATOM   1525 H  HG21  . VAL   A 1 91  ? -11.264 -3.691  8.031   1.000 13.624 0 202 VAL   A HG21  1 c 
ATOM   1526 H  HG22  . VAL   A 1 91  ? -10.541 -3.674  9.443   1.000 13.639 0 202 VAL   A HG22  1 c 
ATOM   1527 H  HG23  . VAL   A 1 91  ? -12.124 -3.603  9.361   1.000 13.655 0 202 VAL   A HG23  1 c 
ATOM   1528 N  N     . LEU   A 1 92  ? -12.452 -8.143  11.079  1.000 13.663 0 203 LEU   A N     1 ? 
ATOM   1529 C  CA    . LEU   A 1 92  ? -12.535 -9.589  11.204  1.000 14.601 0 203 LEU   A CA    1 ? 
ATOM   1530 C  C     . LEU   A 1 92  ? -13.459 -10.096 10.107  1.000 14.249 0 203 LEU   A C     1 ? 
ATOM   1531 O  O     . LEU   A 1 92  ? -14.614 -9.695  10.035  1.000 14.774 0 203 LEU   A O     1 ? 
ATOM   1532 C  CB    . LEU   A 1 92  ? -13.046 -9.971  12.598  1.000 15.845 0 203 LEU   A CB    1 ? 
ATOM   1533 C  CG    . LEU   A 1 92  ? -13.219 -11.472 12.859  1.000 18.347 0 203 LEU   A CG    1 ? 
ATOM   1534 C  CD1   . LEU   A 1 92  ? -11.947 -12.261 12.609  1.000 18.665 0 203 LEU   A CD1   1 ? 
ATOM   1535 C  CD2   . LEU   A 1 92  ? -13.701 -11.709 14.270  1.000 20.635 0 203 LEU   A CD2   1 ? 
ATOM   1536 H  H     . LEU   A 1 92  ? -13.138 -7.638  11.408  1.000 13.700 0 203 LEU   A H     1 c 
ATOM   1537 H  HA    . LEU   A 1 92  ? -11.631 -9.971  11.071  1.000 14.472 0 203 LEU   A HA    1 c 
ATOM   1538 H  HB2   . LEU   A 1 92  ? -12.418 -9.609  13.265  1.000 15.907 0 203 LEU   A HB2   1 c 
ATOM   1539 H  HB3   . LEU   A 1 92  ? -13.915 -9.530  12.737  1.000 15.938 0 203 LEU   A HB3   1 c 
ATOM   1540 H  HG    . LEU   A 1 92  ? -13.915 -11.814 12.241  1.000 18.057 0 203 LEU   A HG    1 c 
ATOM   1541 H  HD11  . LEU   A 1 92  ? -11.685 -12.173 11.678  1.000 18.491 0 203 LEU   A HD11  1 c 
ATOM   1542 H  HD12  . LEU   A 1 92  ? -12.102 -13.199 12.812  1.000 18.590 0 203 LEU   A HD12  1 c 
ATOM   1543 H  HD13  . LEU   A 1 92  ? -11.237 -11.921 13.179  1.000 18.599 0 203 LEU   A HD13  1 c 
ATOM   1544 H  HD21  . LEU   A 1 92  ? -14.594 -11.349 14.372  1.000 20.190 0 203 LEU   A HD21  1 c 
ATOM   1545 H  HD22  . LEU   A 1 92  ? -13.101 -11.272 14.897  1.000 20.259 0 203 LEU   A HD22  1 c 
ATOM   1546 H  HD23  . LEU   A 1 92  ? -13.716 -12.663 14.451  1.000 20.140 0 203 LEU   A HD23  1 c 
ATOM   1547 N  N     . VAL   A 1 93  ? -12.950 -11.001 9.276   1.000 14.370 0 204 VAL   A N     1 ? 
ATOM   1548 C  CA    . VAL   A 1 93  ? -13.774 -11.572 8.229   1.000 14.466 0 204 VAL   A CA    1 ? 
ATOM   1549 C  C     . VAL   A 1 93  ? -14.561 -12.742 8.799   1.000 14.659 0 204 VAL   A C     1 ? 
ATOM   1550 O  O     . VAL   A 1 93  ? -13.967 -13.657 9.363   1.000 15.896 0 204 VAL   A O     1 ? 
ATOM   1551 C  CB    . VAL   A 1 93  ? -12.904 -11.994 7.037   1.000 14.997 0 204 VAL   A CB    1 ? 
ATOM   1552 C  CG1   . VAL   A 1 93  ? -13.739 -12.565 5.909   1.000 15.630 0 204 VAL   A CG1   1 ? 
ATOM   1553 C  CG2   . VAL   A 1 93  ? -12.074 -10.821 6.531   1.000 16.228 0 204 VAL   A CG2   1 ? 
ATOM   1554 H  H     . VAL   A 1 93  ? -12.082 -11.273 9.362   1.000 14.362 0 204 VAL   A H     1 c 
ATOM   1555 H  HA    . VAL   A 1 93  ? -14.403 -10.891 7.922   1.000 14.451 0 204 VAL   A HA    1 c 
ATOM   1556 H  HB    . VAL   A 1 93  ? -12.289 -12.696 7.355   1.000 15.138 0 204 VAL   A HB    1 c 
ATOM   1557 H  HG11  . VAL   A 1 93  ? -14.388 -11.902 5.618   1.000 15.500 0 204 VAL   A HG11  1 c 
ATOM   1558 H  HG12  . VAL   A 1 93  ? -14.205 -13.360 6.215   1.000 15.500 0 204 VAL   A HG12  1 c 
ATOM   1559 H  HG13  . VAL   A 1 93  ? -13.160 -12.798 5.163   1.000 15.503 0 204 VAL   A HG13  1 c 
ATOM   1560 H  HG21  . VAL   A 1 93  ? -11.548 -11.102 5.766   1.000 15.991 0 204 VAL   A HG21  1 c 
ATOM   1561 H  HG22  . VAL   A 1 93  ? -11.479 -10.514 7.235   1.000 15.982 0 204 VAL   A HG22  1 c 
ATOM   1562 H  HG23  . VAL   A 1 93  ? -12.665 -10.095 6.268   1.000 15.993 0 204 VAL   A HG23  1 c 
ATOM   1563 N  N     . GLU   A 1 94  ? -15.892 -12.672 8.696   1.000 14.813 0 205 GLU   A N     1 ? 
ATOM   1564 C  CA    . GLU   A 1 94  ? -16.753 -13.769 9.105   1.000 15.681 0 205 GLU   A CA    1 ? 
ATOM   1565 C  C     . GLU   A 1 94  ? -17.470 -14.308 7.873   1.000 15.508 0 205 GLU   A C     1 ? 
ATOM   1566 O  O     . GLU   A 1 94  ? -17.396 -13.724 6.779   1.000 15.771 0 205 GLU   A O     1 ? 
ATOM   1567 C  CB    . GLU   A 1 94  ? -17.735 -13.291 10.175  1.000 16.663 0 205 GLU   A CB    1 ? 
ATOM   1568 C  CG    . GLU   A 1 94  ? -17.030 -12.800 11.438  1.000 17.687 0 205 GLU   A CG    1 ? 
ATOM   1569 C  CD    . GLU   A 1 94  ? -17.876 -12.641 12.682  1.000 23.466 0 205 GLU   A CD    1 ? 
ATOM   1570 O  OE1   . GLU   A 1 94  ? -19.062 -12.280 12.563  1.000 28.408 0 205 GLU   A OE1   1 ? 
ATOM   1571 O  OE2   . GLU   A 1 94  ? -17.321 -12.848 13.780  1.000 29.329 0 205 GLU   A OE2   1 ? 
ATOM   1572 H  H     . GLU   A 1 94  ? -16.276 -11.913 8.362   1.000 14.863 0 205 GLU   A H     1 c 
ATOM   1573 H  HA    . GLU   A 1 94  ? -16.190 -14.488 9.486   1.000 15.624 0 205 GLU   A HA    1 c 
ATOM   1574 H  HB2   . GLU   A 1 94  ? -18.278 -12.564 9.806   1.000 16.578 0 205 GLU   A HB2   1 c 
ATOM   1575 H  HB3   . GLU   A 1 94  ? -18.338 -14.025 10.410  1.000 16.567 0 205 GLU   A HB3   1 c 
ATOM   1576 H  HG2   . GLU   A 1 94  ? -16.301 -13.423 11.647  1.000 17.848 0 205 GLU   A HG2   1 c 
ATOM   1577 H  HG3   . GLU   A 1 94  ? -16.614 -11.933 11.244  1.000 17.846 0 205 GLU   A HG3   1 c 
ATOM   1578 N  N     . PRO   A 1 95  ? -18.150 -15.468 7.978   1.000 15.389 0 206 PRO   A N     1 ? 
ATOM   1579 C  CA    . PRO   A 1 95  ? -18.778 -16.061 6.801   1.000 15.733 0 206 PRO   A CA    1 ? 
ATOM   1580 C  C     . PRO   A 1 95  ? -19.770 -15.153 6.084   1.000 15.526 0 206 PRO   A C     1 ? 
ATOM   1581 O  O     . PRO   A 1 95  ? -19.835 -15.189 4.857   1.000 16.915 0 206 PRO   A O     1 ? 
ATOM   1582 C  CB    . PRO   A 1 95  ? -19.432 -17.321 7.369   1.000 16.672 0 206 PRO   A CB    1 ? 
ATOM   1583 C  CG    . PRO   A 1 95  ? -18.506 -17.695 8.500   1.000 16.825 0 206 PRO   A CG    1 ? 
ATOM   1584 C  CD    . PRO   A 1 95  ? -18.225 -16.354 9.156   1.000 16.157 0 206 PRO   A CD    1 ? 
ATOM   1585 H  HA    . PRO   A 1 95  ? -18.063 -16.324 6.169   1.000 15.656 0 206 PRO   A HA    1 c 
ATOM   1586 H  HB2   . PRO   A 1 95  ? -20.341 -17.131 7.700   1.000 16.473 0 206 PRO   A HB2   1 c 
ATOM   1587 H  HB3   . PRO   A 1 95  ? -19.472 -18.036 6.691   1.000 16.480 0 206 PRO   A HB3   1 c 
ATOM   1588 H  HG2   . PRO   A 1 95  ? -18.941 -18.311 9.126   1.000 16.614 0 206 PRO   A HG2   1 c 
ATOM   1589 H  HG3   . PRO   A 1 95  ? -17.682 -18.104 8.164   1.000 16.640 0 206 PRO   A HG3   1 c 
ATOM   1590 H  HD2   . PRO   A 1 95  ? -18.956 -16.092 9.758   1.000 16.077 0 206 PRO   A HD2   1 c 
ATOM   1591 H  HD3   . PRO   A 1 95  ? -17.377 -16.372 9.652   1.000 16.008 0 206 PRO   A HD3   1 c 
ATOM   1592 N  N     . ASP   A 1 96  ? -20.500 -14.313 6.824   1.000 15.439 0 207 ASP   A N     1 ? 
ATOM   1593 C  CA    . ASP   A 1 96  ? -21.555 -13.502 6.228   1.000 15.352 0 207 ASP   A CA    1 ? 
ATOM   1594 C  C     . ASP   A 1 96  ? -21.325 -11.997 6.320   1.000 14.704 0 207 ASP   A C     1 ? 
ATOM   1595 O  O     . ASP   A 1 96  ? -22.096 -11.236 5.734   1.000 15.417 0 207 ASP   A O     1 ? 
ATOM   1596 C  CB    . ASP   A 1 96  ? -22.907 -13.821 6.824   1.000 16.045 0 207 ASP   A CB    1 ? 
ATOM   1597 C  CG    . ASP   A 1 96  ? -23.521 -15.130 6.363   1.000 16.523 0 207 ASP   A CG    1 ? 
ATOM   1598 O  OD1   . ASP   A 1 96  ? -23.133 -15.630 5.282   1.000 17.343 0 207 ASP   A OD1   1 ? 
ATOM   1599 O  OD2   . ASP   A 1 96  ? -24.390 -15.638 7.086   1.000 17.783 0 207 ASP   A OD2   1 ? 
ATOM   1600 H  H     . ASP   A 1 96  ? -20.352 -14.256 7.724   1.000 15.387 0 207 ASP   A H     1 c 
ATOM   1601 H  HA    . ASP   A 1 96  ? -21.610 -13.728 5.275   1.000 15.306 0 207 ASP   A HA    1 c 
ATOM   1602 H  HB2   . ASP   A 1 96  ? -22.819 -13.853 7.799   1.000 16.049 0 207 ASP   A HB2   1 c 
ATOM   1603 H  HB3   . ASP   A 1 96  ? -23.538 -13.104 6.605   1.000 15.968 0 207 ASP   A HB3   1 c 
ATOM   1604 N  N     . HIS   A 1 97  ? -20.289 -11.558 7.040   1.000 14.710 0 208 HIS   A N     1 ? 
ATOM   1605 C  CA    . HIS   A 1 97  ? -20.059 -10.126 7.210   1.000 14.732 0 208 HIS   A CA    1 ? 
ATOM   1606 C  C     . HIS   A 1 97  ? -18.593 -9.855  7.500   1.000 14.270 0 208 HIS   A C     1 ? 
ATOM   1607 O  O     . HIS   A 1 97  ? -17.851 -10.744 7.935   1.000 14.638 0 208 HIS   A O     1 ? 
ATOM   1608 C  CB    . HIS   A 1 97  ? -20.984 -9.472  8.245   1.000 17.080 0 208 HIS   A CB    1 ? 
ATOM   1609 C  CG    . HIS   A 1 97  ? -20.989 -10.161 9.534   1.000 18.584 0 208 HIS   A CG    1 ? 
ATOM   1610 N  ND1   . HIS   A 1 97  ? -21.999 -10.999 9.945   1.000 21.361 0 208 HIS   A ND1   1 ? 
ATOM   1611 C  CD2   . HIS   A 1 97  ? -20.100 -10.111 10.526  1.000 19.480 0 208 HIS   A CD2   1 ? 
ATOM   1612 C  CE1   . HIS   A 1 97  ? -21.716 -11.439 11.162  1.000 20.759 0 208 HIS   A CE1   1 ? 
ATOM   1613 N  NE2   . HIS   A 1 97  ? -20.562 -10.914 11.535  1.000 20.336 0 208 HIS   A NE2   1 ? 
ATOM   1614 H  H     . HIS   A 1 97  ? -19.715 -12.151 7.432   1.000 14.677 0 208 HIS   A H     1 c 
ATOM   1615 H  HA    . HIS   A 1 97  ? -20.265 -9.708  6.338   1.000 14.608 0 208 HIS   A HA    1 c 
ATOM   1616 H  HB2   . HIS   A 1 97  ? -20.698 -8.543  8.382   1.000 16.416 0 208 HIS   A HB2   1 c 
ATOM   1617 H  HB3   . HIS   A 1 97  ? -21.897 -9.459  7.887   1.000 16.445 0 208 HIS   A HB3   1 c 
ATOM   1618 H  HD1   . HIS   A 1 97  ? -22.723 -11.158 9.465   0.000 17.684 0 208 HIS   A HD1   1 c 
ATOM   1619 H  HD2   . HIS   A 1 97  ? -19.302 -9.621  10.540  1.000 19.402 0 208 HIS   A HD2   1 c 
ATOM   1620 H  HE1   . HIS   A 1 97  ? -22.243 -12.034 11.668  1.000 20.713 0 208 HIS   A HE1   1 c 
ATOM   1621 H  HE2   . HIS   A 1 97  ? -20.203 -11.051 12.310  0.000 16.999 0 208 HIS   A HE2   1 c 
ATOM   1622 N  N     . PHE   A 1 98  ? -18.217 -8.584  7.308   1.000 14.204 0 209 PHE   A N     1 ? 
ATOM   1623 C  CA    . PHE   A 1 98  ? -17.054 -8.011  7.963   1.000 14.304 0 209 PHE   A CA    1 ? 
ATOM   1624 C  C     . PHE   A 1 98  ? -17.497 -7.454  9.314   1.000 14.638 0 209 PHE   A C     1 ? 
ATOM   1625 O  O     . PHE   A 1 98  ? -18.534 -6.802  9.398   1.000 15.533 0 209 PHE   A O     1 ? 
ATOM   1626 C  CB    . PHE   A 1 98  ? -16.447 -6.868  7.147   1.000 14.389 0 209 PHE   A CB    1 ? 
ATOM   1627 C  CG    . PHE   A 1 98  ? -15.928 -7.276  5.781   1.000 14.844 0 209 PHE   A CG    1 ? 
ATOM   1628 C  CD1   . PHE   A 1 98  ? -14.655 -7.812  5.647   1.000 15.280 0 209 PHE   A CD1   1 ? 
ATOM   1629 C  CD2   . PHE   A 1 98  ? -16.703 -7.098  4.637   1.000 15.395 0 209 PHE   A CD2   1 ? 
ATOM   1630 C  CE1   . PHE   A 1 98  ? -14.173 -8.157  4.388   1.000 15.880 0 209 PHE   A CE1   1 ? 
ATOM   1631 C  CE2   . PHE   A 1 98  ? -16.224 -7.464  3.387   1.000 15.952 0 209 PHE   A CE2   1 ? 
ATOM   1632 C  CZ    . PHE   A 1 98  ? -14.960 -7.993  3.265   1.000 15.986 0 209 PHE   A CZ    1 ? 
ATOM   1633 H  H     . PHE   A 1 98  ? -18.702 -8.058  6.739   1.000 14.197 0 209 PHE   A H     1 c 
ATOM   1634 H  HA    . PHE   A 1 98  ? -16.370 -8.718  8.100   1.000 14.292 0 209 PHE   A HA    1 c 
ATOM   1635 H  HB2   . PHE   A 1 98  ? -17.131 -6.171  7.030   1.000 14.397 0 209 PHE   A HB2   1 c 
ATOM   1636 H  HB3   . PHE   A 1 98  ? -15.707 -6.476  7.662   1.000 14.410 0 209 PHE   A HB3   1 c 
ATOM   1637 H  HD1   . PHE   A 1 98  ? -14.111 -7.926  6.410   1.000 15.200 0 209 PHE   A HD1   1 c 
ATOM   1638 H  HD2   . PHE   A 1 98  ? -17.570 -6.735  4.717   1.000 15.397 0 209 PHE   A HD2   1 c 
ATOM   1639 H  HE1   . PHE   A 1 98  ? -13.309 -8.529  4.305   1.000 15.677 0 209 PHE   A HE1   1 c 
ATOM   1640 H  HE2   . PHE   A 1 98  ? -16.762 -7.341  2.622   1.000 15.692 0 209 PHE   A HE2   1 c 
ATOM   1641 H  HZ    . PHE   A 1 98  ? -14.629 -8.239  2.416   1.000 15.875 0 209 PHE   A HZ    1 c 
ATOM   1642 N  N     . LYS   A 1 99  ? -16.705 -7.713  10.358  1.000 14.810 0 210 LYS   A N     1 ? 
ATOM   1643 C  CA    . LYS   A 1 99  ? -16.927 -7.131  11.674  1.000 15.774 0 210 LYS   A CA    1 ? 
ATOM   1644 C  C     . LYS   A 1 99  ? -15.773 -6.191  11.995  1.000 14.833 0 210 LYS   A C     1 ? 
ATOM   1645 O  O     . LYS   A 1 99  ? -14.618 -6.578  11.845  1.000 17.098 0 210 LYS   A O     1 ? 
ATOM   1646 C  CB    . LYS   A 1 99  ? -16.988 -8.241  12.726  1.000 17.676 0 210 LYS   A CB    1 ? 
ATOM   1647 C  CG    . LYS   A 1 99  ? -17.362 -7.782  14.099  1.000 20.301 0 210 LYS   A CG    1 ? 
ATOM   1648 C  CD    . LYS   A 1 99  ? -17.585 -8.958  15.028  1.000 23.742 0 210 LYS   A CD    1 ? 
ATOM   1649 C  CE    . LYS   A 1 99  ? -16.270 -9.548  15.418  1.000 26.666 0 210 LYS   A CE    1 ? 
ATOM   1650 H  H     . LYS   A 1 99  ? -15.994 -8.276  10.245  1.000 14.874 0 210 LYS   A H     1 c 
ATOM   1651 H  HA    . LYS   A 1 99  ? -17.777 -6.623  11.666  1.000 15.572 0 210 LYS   A HA    1 c 
ATOM   1652 H  HB2   . LYS   A 1 99  ? -17.639 -8.914  12.435  1.000 17.475 0 210 LYS   A HB2   1 c 
ATOM   1653 H  HB3   . LYS   A 1 99  ? -16.110 -8.676  12.771  1.000 17.445 0 210 LYS   A HB3   1 c 
ATOM   1654 H  HG2   . LYS   A 1 99  ? -16.644 -7.215  14.452  1.000 20.148 0 210 LYS   A HG2   1 c 
ATOM   1655 H  HG3   . LYS   A 1 99  ? -18.183 -7.249  14.042  1.000 20.174 0 210 LYS   A HG3   1 c 
ATOM   1656 H  HD2   . LYS   A 1 99  ? -18.059 -8.656  15.834  1.000 23.559 0 210 LYS   A HD2   1 c 
ATOM   1657 H  HD3   . LYS   A 1 99  ? -18.130 -9.640  14.577  1.000 23.359 0 210 LYS   A HD3   1 c 
ATOM   1658 H  HE2   . LYS   A 1 99  ? -15.825 -9.877  14.619  1.000 25.801 0 210 LYS   A HE2   1 c 
ATOM   1659 H  HE3   . LYS   A 1 99  ? -15.697 -9.035  15.789  0.000 36.404 0 210 LYS   A HE3   1 c 
ATOM   1660 N  N     . VAL   A 1 100 ? -16.087 -4.947  12.376  1.000 14.313 0 211 VAL   A N     1 ? 
ATOM   1661 C  CA    . VAL   A 1 100 ? -15.060 -3.959  12.651  1.000 14.252 0 211 VAL   A CA    1 ? 
ATOM   1662 C  C     . VAL   A 1 100 ? -15.059 -3.622  14.141  1.000 13.463 0 211 VAL   A C     1 ? 
ATOM   1663 O  O     . VAL   A 1 100 ? -16.114 -3.304  14.685  1.000 13.482 0 211 VAL   A O     1 ? 
ATOM   1664 C  CB    . VAL   A 1 100 ? -15.281 -2.688  11.813  1.000 14.723 0 211 VAL   A CB    1 ? 
ATOM   1665 C  CG1   . VAL   A 1 100 ? -14.189 -1.667  12.097  1.000 15.183 0 211 VAL   A CG1   1 ? 
ATOM   1666 C  CG2   . VAL   A 1 100 ? -15.364 -3.017  10.337  1.000 15.157 0 211 VAL   A CG2   1 ? 
ATOM   1667 H  H     . VAL   A 1 100 ? -16.964 -4.709  12.469  1.000 14.365 0 211 VAL   A H     1 c 
ATOM   1668 H  HA    . VAL   A 1 100 ? -14.194 -4.336  12.414  1.000 14.196 0 211 VAL   A HA    1 c 
ATOM   1669 H  HB    . VAL   A 1 100 ? -16.145 -2.301  12.090  1.000 14.745 0 211 VAL   A HB    1 c 
ATOM   1670 H  HG11  . VAL   A 1 100 ? -13.320 -2.062  11.913  1.000 15.069 0 211 VAL   A HG11  1 c 
ATOM   1671 H  HG12  . VAL   A 1 100 ? -14.229 -1.394  13.028  1.000 15.059 0 211 VAL   A HG12  1 c 
ATOM   1672 H  HG13  . VAL   A 1 100 ? -14.316 -0.889  11.528  1.000 15.058 0 211 VAL   A HG13  1 c 
ATOM   1673 H  HG21  . VAL   A 1 100 ? -15.488 -2.199  9.828   1.000 15.050 0 211 VAL   A HG21  1 c 
ATOM   1674 H  HG22  . VAL   A 1 100 ? -16.116 -3.613  10.177  1.000 15.051 0 211 VAL   A HG22  1 c 
ATOM   1675 H  HG23  . VAL   A 1 100 ? -14.542 -3.452  10.055  1.000 15.052 0 211 VAL   A HG23  1 c 
ATOM   1676 N  N     . ALA   A 1 101 ? -13.850 -3.607  14.715  1.000 13.835 0 212 ALA   A N     1 ? 
ATOM   1677 C  CA    . ALA   A 1 101 ? -13.627 -3.140  16.088  1.000 14.059 0 212 ALA   A CA    1 ? 
ATOM   1678 C  C     . ALA   A 1 101 ? -12.535 -2.081  16.036  1.000 14.144 0 212 ALA   A C     1 ? 
ATOM   1679 O  O     . ALA   A 1 101 ? -11.539 -2.235  15.328  1.000 14.151 0 212 ALA   A O     1 ? 
ATOM   1680 C  CB    . ALA   A 1 101 ? -13.264 -4.282  17.024  1.000 14.222 0 212 ALA   A CB    1 ? 
ATOM   1681 H  H     . ALA   A 1 101 ? -13.130 -3.903  14.236  1.000 13.790 0 212 ALA   A H     1 c 
ATOM   1682 H  HA    . ALA   A 1 101 ? -14.465 -2.711  16.412  1.000 13.995 0 212 ALA   A HA    1 c 
ATOM   1683 H  HB1   . ALA   A 1 101 ? -13.985 -4.934  17.040  1.000 14.220 0 212 ALA   A HB1   1 c 
ATOM   1684 H  HB2   . ALA   A 1 101 ? -12.450 -4.712  16.713  1.000 14.248 0 212 ALA   A HB2   1 c 
ATOM   1685 H  HB3   . ALA   A 1 101 ? -13.122 -3.937  17.921  1.000 14.205 0 212 ALA   A HB3   1 c 
ATOM   1686 N  N     . VAL   A 1 102 ? -12.723 -0.987  16.773  1.000 13.991 0 213 VAL   A N     1 ? 
ATOM   1687 C  CA    . VAL   A 1 102 ? -11.711 0.049   16.843  1.000 13.950 0 213 VAL   A CA    1 ? 
ATOM   1688 C  C     . VAL   A 1 102 ? -11.270 0.180   18.301  1.000 14.299 0 213 VAL   A C     1 ? 
ATOM   1689 O  O     . VAL   A 1 102 ? -12.106 0.268   19.220  1.000 14.950 0 213 VAL   A O     1 ? 
ATOM   1690 C  CB    . VAL   A 1 102 ? -12.254 1.381   16.315  1.000 13.866 0 213 VAL   A CB    1 ? 
ATOM   1691 C  CG1   . VAL   A 1 102 ? -11.233 2.492   16.497  1.000 14.104 0 213 VAL   A CG1   1 ? 
ATOM   1692 C  CG2   . VAL   A 1 102 ? -12.683 1.246   14.859  1.000 13.931 0 213 VAL   A CG2   1 ? 
ATOM   1693 H  H     . VAL   A 1 102 ? -13.499 -0.882  17.244  1.000 13.973 0 213 VAL   A H     1 c 
ATOM   1694 H  HA    . VAL   A 1 102 ? -10.947 -0.218  16.302  1.000 13.980 0 213 VAL   A HA    1 c 
ATOM   1695 H  HB    . VAL   A 1 102 ? -13.051 1.606   16.850  1.000 13.848 0 213 VAL   A HB    1 c 
ATOM   1696 H  HG11  . VAL   A 1 102 ? -10.406 2.249   16.049  1.000 14.069 0 213 VAL   A HG11  1 c 
ATOM   1697 H  HG12  . VAL   A 1 102 ? -11.061 2.628   17.444  1.000 14.010 0 213 VAL   A HG12  1 c 
ATOM   1698 H  HG13  . VAL   A 1 102 ? -11.578 3.316   16.112  1.000 14.021 0 213 VAL   A HG13  1 c 
ATOM   1699 H  HG21  . VAL   A 1 102 ? -13.011 2.102   14.536  1.000 13.899 0 213 VAL   A HG21  1 c 
ATOM   1700 H  HG22  . VAL   A 1 102 ? -13.390 0.583   14.788  1.000 13.895 0 213 VAL   A HG22  1 c 
ATOM   1701 H  HG23  . VAL   A 1 102 ? -11.923 0.967   14.321  1.000 13.907 0 213 VAL   A HG23  1 c 
ATOM   1702 N  N     . ASN   A 1 103 ? -9.958  0.136   18.519  1.000 14.538 0 214 ASN   A N     1 ? 
ATOM   1703 C  CA    . ASN   A 1 103 ? -9.414  0.240   19.878  1.000 14.696 0 214 ASN   A CA    1 ? 
ATOM   1704 C  C     . ASN   A 1 103 ? -10.095 -0.768  20.806  1.000 15.583 0 214 ASN   A C     1 ? 
ATOM   1705 O  O     . ASN   A 1 103 ? -10.402 -0.476  21.979  1.000 17.214 0 214 ASN   A O     1 ? 
ATOM   1706 C  CB    . ASN   A 1 103 ? -9.519  1.666   20.406  1.000 14.373 0 214 ASN   A CB    1 ? 
ATOM   1707 C  CG    . ASN   A 1 103 ? -8.845  2.677   19.512  1.000 14.258 0 214 ASN   A CG    1 ? 
ATOM   1708 O  OD1   . ASN   A 1 103 ? -7.982  2.316   18.698  1.000 14.091 0 214 ASN   A OD1   1 ? 
ATOM   1709 N  ND2   . ASN   A 1 103 ? -9.243  3.934   19.627  1.000 15.048 0 214 ASN   A ND2   1 ? 
ATOM   1710 H  H     . ASN   A 1 103 ? -9.382  0.040   17.816  1.000 14.405 0 214 ASN   A H     1 c 
ATOM   1711 H  HA    . ASN   A 1 103 ? -8.457  0.016   19.837  1.000 14.715 0 214 ASN   A HA    1 c 
ATOM   1712 H  HB2   . ASN   A 1 103 ? -10.463 1.903   20.499  1.000 14.404 0 214 ASN   A HB2   1 c 
ATOM   1713 H  HB3   . ASN   A 1 103 ? -9.111  1.708   21.293  1.000 14.385 0 214 ASN   A HB3   1 c 
ATOM   1714 H  HD21  . ASN   A 1 103 ? -9.867  4.151   20.219  1.000 14.732 0 214 ASN   A HD21  1 c 
ATOM   1715 H  HD22  . ASN   A 1 103 ? -8.883  4.560   19.111  1.000 14.759 0 214 ASN   A HD22  1 c 
ATOM   1716 N  N     . ASP   A 1 104 ? -10.269 -1.982  20.288  1.000 15.742 0 215 ASP   A N     1 ? 
ATOM   1717 C  CA    . ASP   A 1 104 ? -10.758 -3.130  21.037  1.000 16.353 0 215 ASP   A CA    1 ? 
ATOM   1718 C  C     . ASP   A 1 104 ? -12.220 -3.003  21.454  1.000 16.768 0 215 ASP   A C     1 ? 
ATOM   1719 O  O     . ASP   A 1 104 ? -12.639 -3.722  22.366  1.000 20.251 0 215 ASP   A O     1 ? 
ATOM   1720 C  CB    . ASP   A 1 104 ? -9.850  -3.458  22.211  1.000 17.773 0 215 ASP   A CB    1 ? 
ATOM   1721 C  CG    . ASP   A 1 104 ? -8.493  -3.976  21.776  1.000 19.123 0 215 ASP   A CG    1 ? 
ATOM   1722 O  OD1   . ASP   A 1 104 ? -8.479  -4.900  20.932  1.000 20.203 0 215 ASP   A OD1   1 ? 
ATOM   1723 O  OD2   . ASP   A 1 104 ? -7.475  -3.425  22.235  1.000 22.821 0 215 ASP   A OD2   1 ? 
ATOM   1724 H  H     . ASP   A 1 104 ? -10.058 -2.108  19.408  1.000 15.689 0 215 ASP   A H     1 c 
ATOM   1725 H  HA    . ASP   A 1 104 ? -10.700 -3.910  20.441  1.000 16.369 0 215 ASP   A HA    1 c 
ATOM   1726 H  HB2   . ASP   A 1 104 ? -9.720  -2.665  22.770  1.000 17.715 0 215 ASP   A HB2   1 c 
ATOM   1727 H  HB3   . ASP   A 1 104 ? -10.271 -4.148  22.764  1.000 17.734 0 215 ASP   A HB3   1 c 
ATOM   1728 N  N     . ALA   A 1 105 ? -12.985 -2.125  20.802  1.000 15.941 0 216 ALA   A N     1 ? 
ATOM   1729 C  CA    . ALA   A 1 105 ? -14.419 -2.008  21.035  1.000 16.093 0 216 ALA   A CA    1 ? 
ATOM   1730 C  C     . ALA   A 1 105 ? -15.158 -2.221  19.719  1.000 16.677 0 216 ALA   A C     1 ? 
ATOM   1731 O  O     . ALA   A 1 105 ? -14.837 -1.590  18.703  1.000 16.588 0 216 ALA   A O     1 ? 
ATOM   1732 C  CB    . ALA   A 1 105 ? -14.762 -0.650  21.601  1.000 16.574 0 216 ALA   A CB    1 ? 
ATOM   1733 H  H     . ALA   A 1 105 ? -12.601 -1.575  20.183  1.000 15.917 0 216 ALA   A H     1 c 
ATOM   1734 H  HA    . ALA   A 1 105 ? -14.700 -2.715  21.678  1.000 16.230 0 216 ALA   A HA    1 c 
ATOM   1735 H  HB1   . ALA   A 1 105 ? -14.305 -0.524  22.450  1.000 16.478 0 216 ALA   A HB1   1 c 
ATOM   1736 H  HB2   . ALA   A 1 105 ? -14.482 0.044   20.980  1.000 16.474 0 216 ALA   A HB2   1 c 
ATOM   1737 H  HB3   . ALA   A 1 105 ? -15.722 -0.587  21.741  1.000 16.428 0 216 ALA   A HB3   1 c 
ATOM   1738 N  N     . HIS   A 1 106 ? -16.147 -3.113  19.732  1.000 17.147 0 217 HIS   A N     1 ? 
ATOM   1739 C  CA    . HIS   A 1 106 ? -16.971 -3.399  18.567  1.000 17.153 0 217 HIS   A CA    1 ? 
ATOM   1740 C  C     . HIS   A 1 106 ? -17.587 -2.107  18.044  1.000 16.842 0 217 HIS   A C     1 ? 
ATOM   1741 O  O     . HIS   A 1 106 ? -18.122 -1.309  18.816  1.000 18.886 0 217 HIS   A O     1 ? 
ATOM   1742 C  CB    . HIS   A 1 106 ? -18.077 -4.409  18.902  1.000 18.799 0 217 HIS   A CB    1 ? 
ATOM   1743 C  CG    . HIS   A 1 106 ? -18.983 -4.659  17.738  1.000 19.408 0 217 HIS   A CG    1 ? 
ATOM   1744 N  ND1   . HIS   A 1 106 ? -18.588 -5.398  16.646  1.000 21.725 0 217 HIS   A ND1   1 ? 
ATOM   1745 C  CD2   . HIS   A 1 106 ? -20.210 -4.199  17.449  1.000 20.495 0 217 HIS   A CD2   1 ? 
ATOM   1746 C  CE1   . HIS   A 1 106 ? -19.573 -5.423  15.755  1.000 21.601 0 217 HIS   A CE1   1 ? 
ATOM   1747 N  NE2   . HIS   A 1 106 ? -20.571 -4.699  16.224  1.000 20.696 0 217 HIS   A NE2   1 ? 
ATOM   1748 H  H     . HIS   A 1 106 ? -16.320 -3.565  20.507  1.000 16.952 0 217 HIS   A H     1 c 
ATOM   1749 H  HA    . HIS   A 1 106 ? -16.389 -3.778  17.864  1.000 17.115 0 217 HIS   A HA    1 c 
ATOM   1750 H  HB2   . HIS   A 1 106 ? -17.664 -5.256  19.177  1.000 18.527 0 217 HIS   A HB2   1 c 
ATOM   1751 H  HB3   . HIS   A 1 106 ? -18.606 -4.064  19.654  1.000 18.639 0 217 HIS   A HB3   1 c 
ATOM   1752 H  HD1   . HIS   A 1 106 ? -17.769 -5.745  16.564  0.000 22.982 0 217 HIS   A HD1   1 c 
ATOM   1753 H  HD2   . HIS   A 1 106 ? -20.745 -3.656  17.994  1.000 20.357 0 217 HIS   A HD2   1 c 
ATOM   1754 H  HE1   . HIS   A 1 106 ? -19.559 -5.875  14.930  1.000 21.530 0 217 HIS   A HE1   1 c 
ATOM   1755 H  HE2   . HIS   A 1 106 ? -21.324 -4.572  15.795  0.000 21.063 0 217 HIS   A HE2   1 c 
ATOM   1756 N  N     . LEU   A 1 107 ? -17.547 -1.939  16.716  1.000 15.449 0 218 LEU   A N     1 ? 
ATOM   1757 C  CA    . LEU   A 1 107 ? -18.098 -0.750  16.079  1.000 15.478 0 218 LEU   A CA    1 ? 
ATOM   1758 C  C     . LEU   A 1 107 ? -19.299 -1.100  15.199  1.000 16.047 0 218 LEU   A C     1 ? 
ATOM   1759 O  O     . LEU   A 1 107 ? -20.351 -0.475  15.302  1.000 17.857 0 218 LEU   A O     1 ? 
ATOM   1760 C  CB    . LEU   A 1 107 ? -17.020 -0.024  15.275  1.000 15.156 0 218 LEU   A CB    1 ? 
ATOM   1761 C  CG    . LEU   A 1 107 ? -17.483 1.243   14.545  1.000 16.369 0 218 LEU   A CG    1 ? 
ATOM   1762 C  CD1   . LEU   A 1 107 ? -18.016 2.316   15.479  1.000 17.939 0 218 LEU   A CD1   1 ? 
ATOM   1763 C  CD2   . LEU   A 1 107 ? -16.352 1.776   13.680  1.000 16.732 0 218 LEU   A CD2   1 ? 
ATOM   1764 H  H     . LEU   A 1 107 ? -17.167 -2.583  16.192  1.000 15.673 0 218 LEU   A H     1 c 
ATOM   1765 H  HA    . LEU   A 1 107 ? -18.417 -0.143  16.793  1.000 15.461 0 218 LEU   A HA    1 c 
ATOM   1766 H  HB2   . LEU   A 1 107 ? -16.288 0.219   15.888  1.000 15.351 0 218 LEU   A HB2   1 c 
ATOM   1767 H  HB3   . LEU   A 1 107 ? -16.658 -0.653  14.608  1.000 15.307 0 218 LEU   A HB3   1 c 
ATOM   1768 H  HG    . LEU   A 1 107 ? -18.224 0.989   13.937  1.000 16.356 0 218 LEU   A HG    1 c 
ATOM   1769 H  HD11  . LEU   A 1 107 ? -18.790 1.976   15.958  1.000 17.587 0 218 LEU   A HD11  1 c 
ATOM   1770 H  HD12  . LEU   A 1 107 ? -18.274 3.097   14.963  1.000 17.619 0 218 LEU   A HD12  1 c 
ATOM   1771 H  HD13  . LEU   A 1 107 ? -17.325 2.564   16.117  1.000 17.643 0 218 LEU   A HD13  1 c 
ATOM   1772 H  HD21  . LEU   A 1 107 ? -16.099 1.104   13.025  1.000 16.699 0 218 LEU   A HD21  1 c 
ATOM   1773 H  HD22  . LEU   A 1 107 ? -15.586 1.987   14.240  1.000 16.669 0 218 LEU   A HD22  1 c 
ATOM   1774 H  HD23  . LEU   A 1 107 ? -16.647 2.580   13.220  1.000 16.619 0 218 LEU   A HD23  1 c 
ATOM   1775 N  N     . LEU   A 1 108 ? -19.109 -2.002  14.227  1.000 15.548 0 219 LEU   A N     1 ? 
ATOM   1776 C  CA    . LEU   A 1 108 ? -20.166 -2.294  13.260  1.000 15.693 0 219 LEU   A CA    1 ? 
ATOM   1777 C  C     . LEU   A 1 108 ? -19.917 -3.630  12.565  1.000 15.791 0 219 LEU   A C     1 ? 
ATOM   1778 O  O     . LEU   A 1 108 ? -18.816 -4.188  12.621  1.000 16.459 0 219 LEU   A O     1 ? 
ATOM   1779 C  CB    . LEU   A 1 108 ? -20.333 -1.184  12.212  1.000 16.135 0 219 LEU   A CB    1 ? 
ATOM   1780 C  CG    . LEU   A 1 108 ? -19.105 -0.847  11.358  1.000 16.564 0 219 LEU   A CG    1 ? 
ATOM   1781 C  CD1   . LEU   A 1 108 ? -18.985 -1.767  10.152  1.000 16.485 0 219 LEU   A CD1   1 ? 
ATOM   1782 C  CD2   . LEU   A 1 108 ? -19.160 0.614   10.917  1.000 17.194 0 219 LEU   A CD2   1 ? 
ATOM   1783 H  H     . LEU   A 1 108 ? -18.309 -2.438  14.159  1.000 15.601 0 219 LEU   A H     1 c 
ATOM   1784 H  HA    . LEU   A 1 108 ? -21.015 -2.376  13.764  1.000 15.692 0 219 LEU   A HA    1 c 
ATOM   1785 H  HB2   . LEU   A 1 108 ? -21.068 -1.441  11.609  1.000 16.094 0 219 LEU   A HB2   1 c 
ATOM   1786 H  HB3   . LEU   A 1 108 ? -20.618 -0.365  12.679  1.000 16.049 0 219 LEU   A HB3   1 c 
ATOM   1787 H  HG    . LEU   A 1 108 ? -18.296 -0.968  11.918  1.000 16.553 0 219 LEU   A HG    1 c 
ATOM   1788 H  HD11  . LEU   A 1 108 ? -18.867 -2.683  10.449  1.000 16.446 0 219 LEU   A HD11  1 c 
ATOM   1789 H  HD12  . LEU   A 1 108 ? -18.218 -1.501  9.617   1.000 16.471 0 219 LEU   A HD12  1 c 
ATOM   1790 H  HD13  . LEU   A 1 108 ? -19.792 -1.703  9.613   1.000 16.496 0 219 LEU   A HD13  1 c 
ATOM   1791 H  HD21  . LEU   A 1 108 ? -19.158 1.191   11.699  1.000 17.084 0 219 LEU   A HD21  1 c 
ATOM   1792 H  HD22  . LEU   A 1 108 ? -19.970 0.768   10.403  1.000 17.034 0 219 LEU   A HD22  1 c 
ATOM   1793 H  HD23  . LEU   A 1 108 ? -18.385 0.816   10.366  1.000 17.051 0 219 LEU   A HD23  1 c 
ATOM   1794 N  N     A GLN   A 1 109 ? -20.983 -4.107  11.907  0.500 16.345 0 220 GLN   A N     1 ? 
ATOM   1795 N  N     B GLN   A 1 109 ? -20.961 -4.140  11.907  0.500 16.272 0 220 GLN   A N     1 ? 
ATOM   1796 C  CA    A GLN   A 1 109 ? -20.945 -5.249  11.006  0.500 16.531 0 220 GLN   A CA    1 ? 
ATOM   1797 C  CA    B GLN   A 1 109 ? -20.797 -5.247  10.978  0.500 16.429 0 220 GLN   A CA    1 ? 
ATOM   1798 C  C     A GLN   A 1 109 ? -21.410 -4.788  9.631   0.500 16.240 0 220 GLN   A C     1 ? 
ATOM   1799 C  C     B GLN   A 1 109 ? -21.422 -4.843  9.650   0.500 16.204 0 220 GLN   A C     1 ? 
ATOM   1800 O  O     A GLN   A 1 109 ? -22.239 -3.884  9.536   0.500 16.764 0 220 GLN   A O     1 ? 
ATOM   1801 O  O     B GLN   A 1 109 ? -22.360 -4.048  9.611   0.500 16.772 0 220 GLN   A O     1 ? 
ATOM   1802 C  CB    A GLN   A 1 109 ? -21.867 -6.377  11.471  0.500 17.971 0 220 GLN   A CB    1 ? 
ATOM   1803 C  CB    B GLN   A 1 109 ? -21.381 -6.572  11.471  0.500 17.703 0 220 GLN   A CB    1 ? 
ATOM   1804 C  CG    A GLN   A 1 109 ? -21.405 -7.044  12.758  0.500 18.748 0 220 GLN   A CG    1 ? 
ATOM   1805 C  CG    B GLN   A 1 109 ? -22.882 -6.548  11.737  0.500 19.807 0 220 GLN   A CG    1 ? 
ATOM   1806 C  CD    A GLN   A 1 109 ? -22.145 -8.325  13.074  0.500 21.709 0 220 GLN   A CD    1 ? 
ATOM   1807 C  CD    B GLN   A 1 109 ? -23.440 -7.916  12.069  0.500 22.346 0 220 GLN   A CD    1 ? 
ATOM   1808 O  OE1   A GLN   A 1 109 ? -21.691 -9.137  13.886  0.500 25.936 0 220 GLN   A OE1   1 ? 
ATOM   1809 O  OE1   B GLN   A 1 109 ? -22.881 -8.660  12.883  0.500 24.845 0 220 GLN   A OE1   1 ? 
ATOM   1810 N  NE2   A GLN   A 1 109 ? -23.275 -8.530  12.407  0.500 23.026 0 220 GLN   A NE2   1 ? 
ATOM   1811 N  NE2   B GLN   A 1 109 ? -24.547 -8.270  11.433  0.500 24.535 0 220 GLN   A NE2   1 ? 
ATOM   1812 H  H     A GLN   A 1 109 ? -21.785 -3.687  12.030  0.500 16.254 0 220 GLN   A H     1 c 
ATOM   1813 H  H     B GLN   A 1 109 ? -21.795 -3.791  12.039  0.500 16.181 0 220 GLN   A H     1 c 
ATOM   1814 H  HA    A GLN   A 1 109 ? -20.015 -5.579  10.946  0.500 16.532 0 220 GLN   A HA    1 c 
ATOM   1815 H  HA    B GLN   A 1 109 ? -19.829 -5.383  10.833  0.500 16.446 0 220 GLN   A HA    1 c 
ATOM   1816 H  HB2   A GLN   A 1 109 ? -22.767 -6.012  11.606  0.500 17.770 0 220 GLN   A HB2   1 c 
ATOM   1817 H  HB2   B GLN   A 1 109 ? -21.189 -7.264  10.805  0.500 17.689 0 220 GLN   A HB2   1 c 
ATOM   1818 H  HB3   A GLN   A 1 109 ? -21.922 -7.052  10.763  0.500 17.838 0 220 GLN   A HB3   1 c 
ATOM   1819 H  HB3   B GLN   A 1 109 ? -20.920 -6.825  12.299  0.500 17.632 0 220 GLN   A HB3   1 c 
ATOM   1820 H  HG2   A GLN   A 1 109 ? -20.447 -7.242  12.692  0.500 18.989 0 220 GLN   A HG2   1 c 
ATOM   1821 H  HG2   B GLN   A 1 109 ? -23.070 -5.938  12.482  0.500 19.751 0 220 GLN   A HG2   1 c 
ATOM   1822 H  HG3   A GLN   A 1 109 ? -21.528 -6.420  13.505  0.500 18.877 0 220 GLN   A HG3   1 c 
ATOM   1823 H  HG3   B GLN   A 1 109 ? -23.344 -6.201  10.944  0.500 19.823 0 220 GLN   A HG3   1 c 
ATOM   1824 H  HE21  A GLN   A 1 109 ? -23.585 -7.906  11.859  0.500 22.690 0 220 GLN   A HE21  1 c 
ATOM   1825 H  HE21  B GLN   A 1 109 ? -24.927 -7.708  10.861  0.500 24.154 0 220 GLN   A HE21  1 c 
ATOM   1826 H  HE22  A GLN   A 1 109 ? -23.719 -9.291  12.513  0.500 22.707 0 220 GLN   A HE22  1 c 
ATOM   1827 H  HE22  B GLN   A 1 109 ? -24.907 -9.067  11.581  0.500 24.057 0 220 GLN   A HE22  1 c 
ATOM   1828 N  N     . TYR   A 1 110 ? -20.881 -5.427  8.584   1.000 15.587 0 221 TYR   A N     1 ? 
ATOM   1829 C  CA    . TYR   A 1 110 ? -21.244 -5.093  7.212   1.000 15.166 0 221 TYR   A CA    1 ? 
ATOM   1830 C  C     . TYR   A 1 110 ? -21.412 -6.387  6.428   1.000 15.021 0 221 TYR   A C     1 ? 
ATOM   1831 O  O     . TYR   A 1 110 ? -20.440 -7.100  6.205   1.000 15.815 0 221 TYR   A O     1 ? 
ATOM   1832 C  CB    . TYR   A 1 110 ? -20.177 -4.191  6.595   1.000 14.845 0 221 TYR   A CB    1 ? 
ATOM   1833 C  CG    . TYR   A 1 110 ? -20.531 -3.636  5.222   1.000 14.926 0 221 TYR   A CG    1 ? 
ATOM   1834 C  CD1   . TYR   A 1 110 ? -20.191 -4.299  4.041   1.000 14.863 0 221 TYR   A CD1   1 ? 
ATOM   1835 C  CD2   . TYR   A 1 110 ? -21.184 -2.418  5.115   1.000 15.048 0 221 TYR   A CD2   1 ? 
ATOM   1836 C  CE1   . TYR   A 1 110 ? -20.491 -3.761  2.798   1.000 14.626 0 221 TYR   A CE1   1 ? 
ATOM   1837 C  CE2   . TYR   A 1 110 ? -21.499 -1.877  3.880   1.000 14.698 0 221 TYR   A CE2   1 ? 
ATOM   1838 C  CZ    . TYR   A 1 110 ? -21.153 -2.550  2.720   1.000 14.597 0 221 TYR   A CZ    1 ? 
ATOM   1839 O  OH    . TYR   A 1 110 ? -21.443 -2.003  1.505   1.000 15.049 0 221 TYR   A OH    1 ? 
ATOM   1840 H  H     . TYR   A 1 110 ? -20.260 -6.084  8.721   1.000 15.685 0 221 TYR   A H     1 c 
ATOM   1841 H  HA    . TYR   A 1 110 ? -22.109 -4.604  7.214   1.000 15.148 0 221 TYR   A HA    1 c 
ATOM   1842 H  HB2   . TYR   A 1 110 ? -20.014 -3.440  7.207   1.000 14.859 0 221 TYR   A HB2   1 c 
ATOM   1843 H  HB3   . TYR   A 1 110 ? -19.340 -4.703  6.523   1.000 14.885 0 221 TYR   A HB3   1 c 
ATOM   1844 H  HD1   . TYR   A 1 110 ? -19.734 -5.123  4.088   1.000 14.822 0 221 TYR   A HD1   1 c 
ATOM   1845 H  HD2   . TYR   A 1 110 ? -21.421 -1.948  5.898   1.000 14.952 0 221 TYR   A HD2   1 c 
ATOM   1846 H  HE1   . TYR   A 1 110 ? -20.255 -4.222  2.011   1.000 14.647 0 221 TYR   A HE1   1 c 
ATOM   1847 H  HE2   . TYR   A 1 110 ? -21.942 -1.048  3.827   1.000 14.709 0 221 TYR   A HE2   1 c 
ATOM   1848 H  HH    . TYR   A 1 110 ? -22.198 -2.281  1.222   0.000 14.596 0 221 TYR   A HH    1 c 
ATOM   1849 N  N     . ASN   A 1 111 ? -22.651 -6.669  6.022   1.000 15.306 0 222 ASN   A N     1 ? 
ATOM   1850 C  CA    . ASN   A 1 111 ? -22.964 -7.902  5.310   1.000 16.349 0 222 ASN   A CA    1 ? 
ATOM   1851 C  C     . ASN   A 1 111 ? -22.250 -7.946  3.953   1.000 15.831 0 222 ASN   A C     1 ? 
ATOM   1852 O  O     . ASN   A 1 111 ? -22.141 -6.929  3.265   1.000 16.222 0 222 ASN   A O     1 ? 
ATOM   1853 C  CB    . ASN   A 1 111 ? -24.471 -8.050  5.124   1.000 18.683 0 222 ASN   A CB    1 ? 
ATOM   1854 C  CG    . ASN   A 1 111 ? -25.197 -8.327  6.420   1.000 22.216 0 222 ASN   A CG    1 ? 
ATOM   1855 O  OD1   . ASN   A 1 111 ? -24.602 -8.839  7.372   1.000 25.097 0 222 ASN   A OD1   1 ? 
ATOM   1856 N  ND2   . ASN   A 1 111 ? -26.483 -8.015  6.474   1.000 26.047 0 222 ASN   A ND2   1 ? 
ATOM   1857 H  H     . ASN   A 1 111 ? -23.325 -6.074  6.189   1.000 15.354 0 222 ASN   A H     1 c 
ATOM   1858 H  HA    . ASN   A 1 111 ? -22.653 -8.659  5.853   1.000 16.350 0 222 ASN   A HA    1 c 
ATOM   1859 H  HB2   . ASN   A 1 111 ? -24.826 -7.230  4.728   1.000 18.600 0 222 ASN   A HB2   1 c 
ATOM   1860 H  HB3   . ASN   A 1 111 ? -24.644 -8.784  4.502   1.000 18.474 0 222 ASN   A HB3   1 c 
ATOM   1861 H  HD21  . ASN   A 1 111 ? -26.884 -7.657  5.768   1.000 25.228 0 222 ASN   A HD21  1 c 
ATOM   1862 H  HD22  . ASN   A 1 111 ? -26.942 -8.164  7.218   1.000 25.315 0 222 ASN   A HD22  1 c 
ATOM   1863 N  N     . HIS   A 1 112 ? -21.759 -9.135  3.574   1.000 15.628 0 223 HIS   A N     1 ? 
ATOM   1864 C  CA    . HIS   A 1 112 ? -21.065 -9.309  2.299   1.000 15.924 0 223 HIS   A CA    1 ? 
ATOM   1865 C  C     . HIS   A 1 112 ? -22.030 -9.093  1.133   1.000 16.135 0 223 HIS   A C     1 ? 
ATOM   1866 O  O     . HIS   A 1 112 ? -22.994 -9.835  0.977   1.000 18.044 0 223 HIS   A O     1 ? 
ATOM   1867 C  CB    . HIS   A 1 112 ? -20.432 -10.701 2.179   1.000 15.783 0 223 HIS   A CB    1 ? 
ATOM   1868 C  CG    . HIS   A 1 112 ? -19.332 -10.961 3.151   1.000 15.650 0 223 HIS   A CG    1 ? 
ATOM   1869 N  ND1   . HIS   A 1 112 ? -18.274 -10.099 3.331   1.000 15.645 0 223 HIS   A ND1   1 ? 
ATOM   1870 C  CD2   . HIS   A 1 112 ? -19.120 -12.015 3.969   1.000 15.357 0 223 HIS   A CD2   1 ? 
ATOM   1871 C  CE1   . HIS   A 1 112 ? -17.475 -10.603 4.278   1.000 15.678 0 223 HIS   A CE1   1 ? 
ATOM   1872 N  NE2   . HIS   A 1 112 ? -17.959 -11.778 4.657   1.000 15.340 0 223 HIS   A NE2   1 ? 
ATOM   1873 H  H     . HIS   A 1 112 ? -21.859 -9.858  4.124   1.000 15.659 0 223 HIS   A H     1 c 
ATOM   1874 H  HA    . HIS   A 1 112 ? -20.349 -8.629  2.244   1.000 15.864 0 223 HIS   A HA    1 c 
ATOM   1875 H  HB2   . HIS   A 1 112 ? -21.132 -11.375 2.306   1.000 15.761 0 223 HIS   A HB2   1 c 
ATOM   1876 H  HB3   . HIS   A 1 112 ? -20.081 -10.808 1.268   1.000 15.750 0 223 HIS   A HB3   1 c 
ATOM   1877 H  HD1   . HIS   A 1 112 ? -18.157 -9.337  2.904   0.000 13.894 0 223 HIS   A HD1   1 c 
ATOM   1878 H  HD2   . HIS   A 1 112 ? -19.667 -12.770 4.060   1.000 15.366 0 223 HIS   A HD2   1 c 
ATOM   1879 H  HE1   . HIS   A 1 112 ? -16.676 -10.210 4.586   1.000 15.601 0 223 HIS   A HE1   1 c 
ATOM   1880 H  HE2   . HIS   A 1 112 ? -17.607 -12.310 5.286   0.000 14.515 0 223 HIS   A HE2   1 c 
ATOM   1881 N  N     . ARG   A 1 113 ? -21.766 -8.055  0.338   1.000 16.225 0 224 ARG   A N     1 ? 
ATOM   1882 C  CA    . ARG   A 1 113 ? -22.468 -7.828  -0.922  1.000 15.976 0 224 ARG   A CA    1 ? 
ATOM   1883 C  C     . ARG   A 1 113 ? -21.714 -8.502  -2.061  1.000 16.434 0 224 ARG   A C     1 ? 
ATOM   1884 O  O     . ARG   A 1 113 ? -22.327 -9.133  -2.922  1.000 18.255 0 224 ARG   A O     1 ? 
ATOM   1885 C  CB    . ARG   A 1 113 ? -22.606 -6.326  -1.168  1.000 15.908 0 224 ARG   A CB    1 ? 
ATOM   1886 C  CG    . ARG   A 1 113 ? -23.402 -5.640  -0.070  1.000 16.151 0 224 ARG   A CG    1 ? 
ATOM   1887 C  CD    . ARG   A 1 113 ? -23.673 -4.202  -0.441  1.000 15.645 0 224 ARG   A CD    1 ? 
ATOM   1888 N  NE    . ARG   A 1 113 ? -24.129 -3.399  0.695   1.000 16.139 0 224 ARG   A NE    1 ? 
ATOM   1889 C  CZ    . ARG   A 1 113 ? -24.275 -2.083  0.691   1.000 15.980 0 224 ARG   A CZ    1 ? 
ATOM   1890 N  NH1   . ARG   A 1 113 ? -24.118 -1.400  -0.431  1.000 16.585 0 224 ARG   A NH1   1 ? 
ATOM   1891 N  NH2   . ARG   A 1 113 ? -24.597 -1.453  1.801   1.000 16.538 0 224 ARG   A NH2   1 ? 
ATOM   1892 H  H     . ARG   A 1 113 ? -21.122 -7.457  0.591   1.000 16.148 0 224 ARG   A H     1 c 
ATOM   1893 H  HA    . ARG   A 1 113 ? -23.372 -8.227  -0.857  1.000 16.043 0 224 ARG   A HA    1 c 
ATOM   1894 H  HB2   . ARG   A 1 113 ? -21.713 -5.923  -1.218  1.000 15.884 0 224 ARG   A HB2   1 c 
ATOM   1895 H  HB3   . ARG   A 1 113 ? -23.053 -6.180  -2.029  1.000 15.860 0 224 ARG   A HB3   1 c 
ATOM   1896 H  HG2   . ARG   A 1 113 ? -24.255 -6.108  0.060   1.000 15.922 0 224 ARG   A HG2   1 c 
ATOM   1897 H  HG3   . ARG   A 1 113 ? -22.896 -5.668  0.771   1.000 16.061 0 224 ARG   A HG3   1 c 
ATOM   1898 H  HD2   . ARG   A 1 113 ? -22.856 -3.806  -0.805  1.000 15.784 0 224 ARG   A HD2   1 c 
ATOM   1899 H  HD3   . ARG   A 1 113 ? -24.355 -4.179  -1.143  1.000 15.734 0 224 ARG   A HD3   1 c 
ATOM   1900 H  HE    . ARG   A 1 113 ? -24.320 -3.820  1.434   1.000 15.968 0 224 ARG   A HE    1 c 
ATOM   1901 H  HH11  . ARG   A 1 113 ? -24.046 -0.518  -0.401  1.000 16.457 0 224 ARG   A HH11  1 c 
ATOM   1902 H  HH12  . ARG   A 1 113 ? -24.086 -1.818  -1.209  1.000 16.456 0 224 ARG   A HH12  1 c 
ATOM   1903 H  HH21  . ARG   A 1 113 ? -24.625 -0.570  1.816   1.000 16.363 0 224 ARG   A HH21  1 c 
ATOM   1904 H  HH22  . ARG   A 1 113 ? -24.785 -1.915  2.530   1.000 16.344 0 224 ARG   A HH22  1 c 
ATOM   1905 N  N     . VAL   A 1 114 ? -20.393 -8.322  -2.076  1.000 16.450 0 225 VAL   A N     1 ? 
ATOM   1906 C  CA    . VAL   A 1 114 ? -19.502 -9.096  -2.933  1.000 16.771 0 225 VAL   A CA    1 ? 
ATOM   1907 C  C     . VAL   A 1 114 ? -19.297 -10.466 -2.291  1.000 17.626 0 225 VAL   A C     1 ? 
ATOM   1908 O  O     . VAL   A 1 114 ? -18.890 -10.560 -1.134  1.000 19.204 0 225 VAL   A O     1 ? 
ATOM   1909 C  CB    . VAL   A 1 114 ? -18.166 -8.362  -3.146  1.000 16.660 0 225 VAL   A CB    1 ? 
ATOM   1910 C  CG1   . VAL   A 1 114 ? -17.122 -9.234  -3.833  1.000 16.433 0 225 VAL   A CG1   1 ? 
ATOM   1911 C  CG2   . VAL   A 1 114 ? -18.366 -7.063  -3.923  1.000 16.613 0 225 VAL   A CG2   1 ? 
ATOM   1912 H  H     . VAL   A 1 114 ? -20.029 -7.682  -1.535  1.000 16.447 0 225 VAL   A H     1 c 
ATOM   1913 H  HA    . VAL   A 1 114 ? -19.932 -9.215  -3.801  1.000 16.789 0 225 VAL   A HA    1 c 
ATOM   1914 H  HB    . VAL   A 1 114 ? -17.818 -8.128  -2.253  1.000 16.589 0 225 VAL   A HB    1 c 
ATOM   1915 H  HG11  . VAL   A 1 114 ? -17.469 -9.545  -4.687  1.000 16.484 0 225 VAL   A HG11  1 c 
ATOM   1916 H  HG12  . VAL   A 1 114 ? -16.911 -9.999  -3.272  1.000 16.470 0 225 VAL   A HG12  1 c 
ATOM   1917 H  HG13  . VAL   A 1 114 ? -16.314 -8.715  -3.984  1.000 16.478 0 225 VAL   A HG13  1 c 
ATOM   1918 H  HG21  . VAL   A 1 114 ? -17.506 -6.631  -4.060  1.000 16.583 0 225 VAL   A HG21  1 c 
ATOM   1919 H  HG22  . VAL   A 1 114 ? -18.949 -6.470  -3.420  1.000 16.606 0 225 VAL   A HG22  1 c 
ATOM   1920 H  HG23  . VAL   A 1 114 ? -18.769 -7.259  -4.785  1.000 16.619 0 225 VAL   A HG23  1 c 
ATOM   1921 N  N     . LYS   A 1 115 ? -19.616 -11.524 -3.034  1.000 18.104 0 226 LYS   A N     1 ? 
ATOM   1922 C  CA    . LYS   A 1 115 ? -19.669 -12.884 -2.513  1.000 19.620 0 226 LYS   A CA    1 ? 
ATOM   1923 C  C     . LYS   A 1 115 ? -18.336 -13.611 -2.693  1.000 19.342 0 226 LYS   A C     1 ? 
ATOM   1924 O  O     . LYS   A 1 115 ? -18.047 -14.544 -1.952  1.000 21.394 0 226 LYS   A O     1 ? 
ATOM   1925 C  CB    . LYS   A 1 115 ? -20.776 -13.680 -3.212  1.000 21.773 0 226 LYS   A CB    1 ? 
ATOM   1926 C  CG    . LYS   A 1 115 ? -22.137 -12.997 -3.299  1.000 22.975 0 226 LYS   A CG    1 ? 
ATOM   1927 C  CD    . LYS   A 1 115 ? -22.671 -12.486 -1.977  1.000 22.639 0 226 LYS   A CD    1 ? 
ATOM   1928 C  CE    . LYS   A 1 115 ? -24.096 -12.072 -2.045  1.000 22.218 0 226 LYS   A CE    1 ? 
ATOM   1929 N  NZ    . LYS   A 1 115 ? -24.547 -11.775 -0.683  1.000 23.515 0 226 LYS   A NZ    1 ? 
ATOM   1930 H  H     . LYS   A 1 115 ? -19.813 -11.392 -3.916  1.000 18.069 0 226 LYS   A H     1 c 
ATOM   1931 H  HA    . LYS   A 1 115 ? -19.876 -12.841 -1.545  1.000 19.565 0 226 LYS   A HA    1 c 
ATOM   1932 H  HB2   . LYS   A 1 115 ? -20.479 -13.885 -4.125  1.000 21.686 0 226 LYS   A HB2   1 c 
ATOM   1933 H  HB3   . LYS   A 1 115 ? -20.888 -14.532 -2.742  1.000 21.614 0 226 LYS   A HB3   1 c 
ATOM   1934 H  HG2   . LYS   A 1 115 ? -22.067 -12.243 -3.924  1.000 22.850 0 226 LYS   A HG2   1 c 
ATOM   1935 H  HG3   . LYS   A 1 115 ? -22.781 -13.637 -3.674  1.000 22.745 0 226 LYS   A HG3   1 c 
ATOM   1936 H  HD2   . LYS   A 1 115 ? -22.578 -13.194 -1.305  1.000 22.605 0 226 LYS   A HD2   1 c 
ATOM   1937 H  HD3   . LYS   A 1 115 ? -22.129 -11.720 -1.688  1.000 22.597 0 226 LYS   A HD3   1 c 
ATOM   1938 H  HE2   . LYS   A 1 115 ? -24.192 -11.280 -2.603  1.000 22.490 0 226 LYS   A HE2   1 c 
ATOM   1939 H  HE3   . LYS   A 1 115 ? -24.637 -12.790 -2.419  1.000 22.538 0 226 LYS   A HE3   1 c 
ATOM   1940 H  HZ1   . LYS   A 1 115 ? -24.034 -11.121 -0.323  1.000 23.361 0 226 LYS   A HZ1   1 c 
ATOM   1941 H  HZ2   . LYS   A 1 115 ? -24.486 -12.518 -0.173  1.000 23.400 0 226 LYS   A HZ2   1 c 
ATOM   1942 H  HZ3   . LYS   A 1 115 ? -25.410 -11.499 -0.702  1.000 23.354 0 226 LYS   A HZ3   1 c 
ATOM   1943 N  N     . LYS   A 1 116 ? -17.522 -13.195 -3.669  1.000 19.403 0 227 LYS   A N     1 ? 
ATOM   1944 C  CA    . LYS   A 1 116 ? -16.271 -13.886 -3.965  1.000 19.572 0 227 LYS   A CA    1 ? 
ATOM   1945 C  C     . LYS   A 1 116 ? -15.140 -13.397 -3.064  1.000 17.534 0 227 LYS   A C     1 ? 
ATOM   1946 O  O     . LYS   A 1 116 ? -14.261 -12.662 -3.502  1.000 17.464 0 227 LYS   A O     1 ? 
ATOM   1947 C  CB    . LYS   A 1 116 ? -15.890 -13.696 -5.433  1.000 21.824 0 227 LYS   A CB    1 ? 
ATOM   1948 C  CG    . LYS   A 1 116 ? -16.705 -14.553 -6.362  1.000 24.999 0 227 LYS   A CG    1 ? 
ATOM   1949 C  CD    . LYS   A 1 116 ? -16.405 -14.323 -7.829  1.000 27.016 0 227 LYS   A CD    1 ? 
ATOM   1950 C  CE    . LYS   A 1 116 ? -17.194 -15.314 -8.597  1.000 29.837 0 227 LYS   A CE    1 ? 
ATOM   1951 N  NZ    . LYS   A 1 116 ? -17.005 -15.146 -10.034 1.000 31.383 0 227 LYS   A NZ    1 ? 
ATOM   1952 H  H     . LYS   A 1 116 ? -17.750 -12.465 -4.168  1.000 19.411 0 227 LYS   A H     1 c 
ATOM   1953 H  HA    . LYS   A 1 116 ? -16.404 -14.855 -3.804  1.000 19.442 0 227 LYS   A HA    1 c 
ATOM   1954 H  HB2   . LYS   A 1 116 ? -16.014 -12.755 -5.679  1.000 21.887 0 227 LYS   A HB2   1 c 
ATOM   1955 H  HB3   . LYS   A 1 116 ? -14.942 -13.918 -5.553  1.000 21.850 0 227 LYS   A HB3   1 c 
ATOM   1956 H  HG2   . LYS   A 1 116 ? -16.535 -15.496 -6.146  1.000 24.688 0 227 LYS   A HG2   1 c 
ATOM   1957 H  HG3   . LYS   A 1 116 ? -17.656 -14.373 -6.200  1.000 24.653 0 227 LYS   A HG3   1 c 
ATOM   1958 H  HD2   . LYS   A 1 116 ? -16.668 -13.414 -8.089  1.000 27.075 0 227 LYS   A HD2   1 c 
ATOM   1959 H  HD3   . LYS   A 1 116 ? -15.448 -14.452 -8.003  1.000 27.055 0 227 LYS   A HD3   1 c 
ATOM   1960 H  HE2   . LYS   A 1 116 ? -16.918 -16.213 -8.344  1.000 29.499 0 227 LYS   A HE2   1 c 
ATOM   1961 H  HE3   . LYS   A 1 116 ? -18.139 -15.212 -8.386  1.000 29.494 0 227 LYS   A HE3   1 c 
ATOM   1962 H  HZ1   . LYS   A 1 116 ? -16.127 -15.234 -10.240 1.000 31.125 0 227 LYS   A HZ1   1 c 
ATOM   1963 H  HZ2   . LYS   A 1 116 ? -17.289 -14.323 -10.287 1.000 31.170 0 227 LYS   A HZ2   1 c 
ATOM   1964 H  HZ3   . LYS   A 1 116 ? -17.479 -15.774 -10.482 1.000 31.122 0 227 LYS   A HZ3   1 c 
ATOM   1965 N  N     . LEU   A 1 117 ? -15.141 -13.871 -1.815  1.000 17.058 0 228 LEU   A N     1 ? 
ATOM   1966 C  CA    . LEU   A 1 117 ? -14.178 -13.441 -0.804  1.000 16.851 0 228 LEU   A CA    1 ? 
ATOM   1967 C  C     . LEU   A 1 117 ? -12.752 -13.738 -1.259  1.000 16.964 0 228 LEU   A C     1 ? 
ATOM   1968 O  O     . LEU   A 1 117 ? -11.866 -12.925 -0.998  1.000 15.837 0 228 LEU   A O     1 ? 
ATOM   1969 C  CB    . LEU   A 1 117 ? -14.417 -14.032 0.593   1.000 17.287 0 228 LEU   A CB    1 ? 
ATOM   1970 C  CG    . LEU   A 1 117 ? -15.757 -13.724 1.261   1.000 18.419 0 228 LEU   A CG    1 ? 
ATOM   1971 C  CD1   . LEU   A 1 117 ? -15.761 -14.273 2.655   1.000 18.537 0 228 LEU   A CD1   1 ? 
ATOM   1972 C  CD2   . LEU   A 1 117 ? -16.081 -12.260 1.280   1.000 19.182 0 228 LEU   A CD2   1 ? 
ATOM   1973 H  H     . LEU   A 1 117 ? -15.771 -14.489 -1.580  1.000 17.074 0 228 LEU   A H     1 c 
ATOM   1974 H  HA    . LEU   A 1 117 ? -14.255 -12.457 -0.734  1.000 16.858 0 228 LEU   A HA    1 c 
ATOM   1975 H  HB2   . LEU   A 1 117 ? -14.323 -15.010 0.529   1.000 17.058 0 228 LEU   A HB2   1 c 
ATOM   1976 H  HB3   . LEU   A 1 117 ? -13.698 -13.712 1.185   1.000 17.050 0 228 LEU   A HB3   1 c 
ATOM   1977 H  HG    . LEU   A 1 117 ? -16.469 -14.184 0.748   1.000 18.234 0 228 LEU   A HG    1 c 
ATOM   1978 H  HD11  . LEU   A 1 117 ? -15.623 -15.235 2.626   1.000 18.531 0 228 LEU   A HD11  1 c 
ATOM   1979 H  HD12  . LEU   A 1 117 ? -16.615 -14.082 3.078   1.000 18.491 0 228 LEU   A HD12  1 c 
ATOM   1980 H  HD13  . LEU   A 1 117 ? -15.047 -13.860 3.169   1.000 18.496 0 228 LEU   A HD13  1 c 
ATOM   1981 H  HD21  . LEU   A 1 117 ? -16.163 -11.932 0.369   1.000 19.120 0 228 LEU   A HD21  1 c 
ATOM   1982 H  HD22  . LEU   A 1 117 ? -15.373 -11.776 1.737   1.000 19.068 0 228 LEU   A HD22  1 c 
ATOM   1983 H  HD23  . LEU   A 1 117 ? -16.921 -12.121 1.749   1.000 19.035 0 228 LEU   A HD23  1 c 
ATOM   1984 N  N     . ASN   A 1 118 ? -12.541 -14.879 -1.933  1.000 18.990 0 229 ASN   A N     1 ? 
ATOM   1985 C  CA    . ASN   A 1 118 ? -11.202 -15.278 -2.355  1.000 20.547 0 229 ASN   A CA    1 ? 
ATOM   1986 C  C     . ASN   A 1 118 ? -10.699 -14.466 -3.554  1.000 19.646 0 229 ASN   A C     1 ? 
ATOM   1987 O  O     . ASN   A 1 118 ? -9.613  -14.749 -4.051  1.000 21.976 0 229 ASN   A O     1 ? 
ATOM   1988 C  CB    . ASN   A 1 118 ? -11.092 -16.777 -2.622  1.000 23.966 0 229 ASN   A CB    1 ? 
ATOM   1989 C  CG    . ASN   A 1 118 ? -11.962 -17.275 -3.751  1.000 26.628 0 229 ASN   A CG    1 ? 
ATOM   1990 O  OD1   . ASN   A 1 118 ? -12.701 -16.509 -4.378  1.000 27.625 0 229 ASN   A OD1   1 ? 
ATOM   1991 N  ND2   . ASN   A 1 118 ? -11.882 -18.568 -4.025  1.000 30.120 0 229 ASN   A ND2   1 ? 
ATOM   1992 H  H     . ASN   A 1 118 ? -13.247 -15.426 -2.126  1.000 18.730 0 229 ASN   A H     1 c 
ATOM   1993 H  HA    . ASN   A 1 118 ? -10.596 -15.088 -1.605  1.000 20.470 0 229 ASN   A HA    1 c 
ATOM   1994 H  HB2   . ASN   A 1 118 ? -10.160 -16.992 -2.829  1.000 23.657 0 229 ASN   A HB2   1 c 
ATOM   1995 H  HB3   . ASN   A 1 118 ? -11.332 -17.260 -1.807  1.000 23.671 0 229 ASN   A HB3   1 c 
ATOM   1996 H  HD21  . ASN   A 1 118 ? -11.334 -19.088 -3.560  1.000 29.335 0 229 ASN   A HD21  1 c 
ATOM   1997 H  HD22  . ASN   A 1 118 ? -12.377 -18.913 -4.675  1.000 29.342 0 229 ASN   A HD22  1 c 
ATOM   1998 N  N     . GLU   A 1 119 ? -11.444 -13.436 -3.975  1.000 17.578 0 230 GLU   A N     1 ? 
ATOM   1999 C  CA    . GLU   A 1 119 ? -10.997 -12.530 -5.023  1.000 16.528 0 230 GLU   A CA    1 ? 
ATOM   2000 C  C     . GLU   A 1 119 ? -10.878 -11.101 -4.507  1.000 15.125 0 230 GLU   A C     1 ? 
ATOM   2001 O  O     . GLU   A 1 119 ? -10.502 -10.213 -5.271  1.000 15.350 0 230 GLU   A O     1 ? 
ATOM   2002 C  CB    . GLU   A 1 119 ? -11.943 -12.569 -6.220  1.000 17.263 0 230 GLU   A CB    1 ? 
ATOM   2003 C  CG    . GLU   A 1 119 ? -11.952 -13.920 -6.923  1.000 19.239 0 230 GLU   A CG    1 ? 
ATOM   2004 C  CD    . GLU   A 1 119 ? -12.686 -13.945 -8.252  1.000 19.696 0 230 GLU   A CD    1 ? 
ATOM   2005 O  OE1   . GLU   A 1 119 ? -13.267 -12.926 -8.671  1.000 20.786 0 230 GLU   A OE1   1 ? 
ATOM   2006 O  OE2   . GLU   A 1 119 ? -12.702 -15.023 -8.864  1.000 24.254 0 230 GLU   A OE2   1 ? 
ATOM   2007 H  H     . GLU   A 1 119 ? -12.274 -13.308 -3.616  1.000 17.627 0 230 GLU   A H     1 c 
ATOM   2008 H  HA    . GLU   A 1 119 ? -10.102 -12.823 -5.329  1.000 16.480 0 230 GLU   A HA    1 c 
ATOM   2009 H  HB2   . GLU   A 1 119 ? -12.851 -12.363 -5.912  1.000 17.420 0 230 GLU   A HB2   1 c 
ATOM   2010 H  HB3   . GLU   A 1 119 ? -11.678 -11.875 -6.858  1.000 17.370 0 230 GLU   A HB3   1 c 
ATOM   2011 H  HG2   . GLU   A 1 119 ? -11.025 -14.203 -7.078  1.000 18.947 0 230 GLU   A HG2   1 c 
ATOM   2012 H  HG3   . GLU   A 1 119 ? -12.365 -14.583 -6.331  1.000 19.017 0 230 GLU   A HG3   1 c 
ATOM   2013 N  N     . ILE   A 1 120 ? -11.126 -10.889 -3.199  1.000 14.908 0 231 ILE   A N     1 ? 
ATOM   2014 C  CA    . ILE   A 1 120 ? -10.925 -9.585  -2.577  1.000 14.498 0 231 ILE   A CA    1 ? 
ATOM   2015 C  C     . ILE   A 1 120 ? -9.451  -9.494  -2.184  1.000 14.246 0 231 ILE   A C     1 ? 
ATOM   2016 O  O     . ILE   A 1 120 ? -9.084  -9.772  -1.035  1.000 15.611 0 231 ILE   A O     1 ? 
ATOM   2017 C  CB    . ILE   A 1 120 ? -11.885 -9.370  -1.386  1.000 14.867 0 231 ILE   A CB    1 ? 
ATOM   2018 C  CG1   . ILE   A 1 120 ? -13.354 -9.516  -1.819  1.000 14.843 0 231 ILE   A CG1   1 ? 
ATOM   2019 C  CG2   . ILE   A 1 120 ? -11.644 -8.009  -0.728  1.000 15.222 0 231 ILE   A CG2   1 ? 
ATOM   2020 C  CD1   . ILE   A 1 120 ? -14.349 -9.520  -0.671  1.000 15.117 0 231 ILE   A CD1   1 ? 
ATOM   2021 H  H     . ILE   A 1 120 ? -11.427 -11.577 -2.680  1.000 14.971 0 231 ILE   A H     1 c 
ATOM   2022 H  HA    . ILE   A 1 120 ? -11.112 -8.896  -3.243  1.000 14.503 0 231 ILE   A HA    1 c 
ATOM   2023 H  HB    . ILE   A 1 120 ? -11.699 -10.063 -0.723  1.000 14.843 0 231 ILE   A HB    1 c 
ATOM   2024 H  HG12  . ILE   A 1 120 ? -13.576 -8.779  -2.423  1.000 14.892 0 231 ILE   A HG12  1 c 
ATOM   2025 H  HG13  . ILE   A 1 120 ? -13.452 -10.351 -2.319  1.000 14.898 0 231 ILE   A HG13  1 c 
ATOM   2026 H  HG21  . ILE   A 1 120 ? -12.257 -7.893  0.016   1.000 15.078 0 231 ILE   A HG21  1 c 
ATOM   2027 H  HG22  . ILE   A 1 120 ? -11.792 -7.302  -1.379  1.000 15.073 0 231 ILE   A HG22  1 c 
ATOM   2028 H  HG23  . ILE   A 1 120 ? -10.732 -7.959  -0.400  1.000 15.098 0 231 ILE   A HG23  1 c 
ATOM   2029 H  HD11  . ILE   A 1 120 ? -14.124 -10.236 -0.047  1.000 15.052 0 231 ILE   A HD11  1 c 
ATOM   2030 H  HD12  . ILE   A 1 120 ? -15.248 -9.669  -1.022  1.000 15.057 0 231 ILE   A HD12  1 c 
ATOM   2031 H  HD13  . ILE   A 1 120 ? -14.324 -8.664  -0.203  1.000 15.055 0 231 ILE   A HD13  1 c 
ATOM   2032 N  N     . SER   A 1 121 ? -8.601  -9.081  -3.137  1.000 13.901 0 232 SER   A N     1 ? 
ATOM   2033 C  CA    . SER   A 1 121 ? -7.179  -9.380  -3.064  1.000 14.063 0 232 SER   A CA    1 ? 
ATOM   2034 C  C     . SER   A 1 121 ? -6.317  -8.146  -2.787  1.000 13.935 0 232 SER   A C     1 ? 
ATOM   2035 O  O     . SER   A 1 121 ? -5.089  -8.238  -2.820  1.000 14.760 0 232 SER   A O     1 ? 
ATOM   2036 C  CB    . SER   A 1 121 ? -6.738  -10.111 -4.303  1.000 14.911 0 232 SER   A CB    1 ? 
ATOM   2037 O  OG    . SER   A 1 121 ? -7.547  -11.268 -4.499  1.000 16.353 0 232 SER   A OG    1 ? 
ATOM   2038 H  H     . SER   A 1 121 ? -8.917  -8.604  -3.849  1.000 13.941 0 232 SER   A H     1 c 
ATOM   2039 H  HA    . SER   A 1 121 ? -7.050  -9.997  -2.304  1.000 14.102 0 232 SER   A HA    1 c 
ATOM   2040 H  HB2   . SER   A 1 121 ? -6.818  -9.521  -5.076  1.000 14.965 0 232 SER   A HB2   1 c 
ATOM   2041 H  HB3   . SER   A 1 121 ? -5.803  -10.377 -4.211  1.000 14.994 0 232 SER   A HB3   1 c 
ATOM   2042 H  HG    . SER   A 1 121 ? -7.294  -11.682 -5.195  0.000 17.044 0 232 SER   A HG    1 c 
ATOM   2043 N  N     . LYS   A 1 122 ? -6.935  -7.008  -2.469  1.000 13.866 0 233 LYS   A N     1 ? 
ATOM   2044 C  CA    . LYS   A 1 122 ? -6.170  -5.836  -2.068  1.000 15.308 0 233 LYS   A CA    1 ? 
ATOM   2045 C  C     . LYS   A 1 122 ? -6.948  -5.025  -1.045  1.000 13.981 0 233 LYS   A C     1 ? 
ATOM   2046 O  O     . LYS   A 1 122 ? -8.167  -4.948  -1.120  1.000 14.409 0 233 LYS   A O     1 ? 
ATOM   2047 C  CB    . LYS   A 1 122 ? -5.929  -4.928  -3.275  1.000 17.805 0 233 LYS   A CB    1 ? 
ATOM   2048 C  CG    . LYS   A 1 122 ? -4.910  -5.407  -4.284  1.000 21.346 0 233 LYS   A CG    1 ? 
ATOM   2049 C  CD    . LYS   A 1 122 ? -4.614  -4.337  -5.326  1.000 25.397 0 233 LYS   A CD    1 ? 
ATOM   2050 C  CE    . LYS   A 1 122 ? -3.959  -4.884  -6.547  1.000 28.095 0 233 LYS   A CE    1 ? 
ATOM   2051 N  NZ    . LYS   A 1 122 ? -2.721  -5.602  -6.230  1.000 31.530 0 233 LYS   A NZ    1 ? 
ATOM   2052 H  H     . LYS   A 1 122 ? -7.846  -6.954  -2.502  1.000 14.006 0 233 LYS   A H     1 c 
ATOM   2053 H  HA    . LYS   A 1 122 ? -5.309  -6.127  -1.674  1.000 15.063 0 233 LYS   A HA    1 c 
ATOM   2054 H  HB2   . LYS   A 1 122 ? -6.784  -4.807  -3.741  1.000 17.728 0 233 LYS   A HB2   1 c 
ATOM   2055 H  HB3   . LYS   A 1 122 ? -5.647  -4.046  -2.950  1.000 17.678 0 233 LYS   A HB3   1 c 
ATOM   2056 H  HG2   . LYS   A 1 122 ? -4.081  -5.643  -3.813  1.000 21.001 0 233 LYS   A HG2   1 c 
ATOM   2057 H  HG3   . LYS   A 1 122 ? -5.255  -6.212  -4.729  1.000 20.936 0 233 LYS   A HG3   1 c 
ATOM   2058 H  HD2   . LYS   A 1 122 ? -5.454  -3.899  -5.583  1.000 24.829 0 233 LYS   A HD2   1 c 
ATOM   2059 H  HD3   . LYS   A 1 122 ? -4.029  -3.656  -4.927  1.000 24.848 0 233 LYS   A HD3   1 c 
ATOM   2060 H  HE2   . LYS   A 1 122 ? -4.572  -5.491  -7.000  1.000 28.000 0 233 LYS   A HE2   1 c 
ATOM   2061 H  HE3   . LYS   A 1 122 ? -3.753  -4.152  -7.157  1.000 28.053 0 233 LYS   A HE3   1 c 
ATOM   2062 H  HZ1   . LYS   A 1 122 ? -2.905  -6.350  -5.753  1.000 30.824 0 233 LYS   A HZ1   1 c 
ATOM   2063 H  HZ2   . LYS   A 1 122 ? -2.171  -5.068  -5.748  1.000 30.885 0 233 LYS   A HZ2   1 c 
ATOM   2064 H  HZ3   . LYS   A 1 122 ? -2.303  -5.840  -6.998  1.000 31.023 0 233 LYS   A HZ3   1 c 
ATOM   2065 N  N     . LEU   A 1 123 ? -6.206  -4.415  -0.117  1.000 13.901 0 234 LEU   A N     1 ? 
ATOM   2066 C  CA    . LEU   A 1 123 ? -6.744  -3.426  0.808   1.000 14.327 0 234 LEU   A CA    1 ? 
ATOM   2067 C  C     . LEU   A 1 123 ? -6.023  -2.100  0.583   1.000 14.329 0 234 LEU   A C     1 ? 
ATOM   2068 O  O     . LEU   A 1 123 ? -4.826  -2.001  0.831   1.000 16.120 0 234 LEU   A O     1 ? 
ATOM   2069 C  CB    . LEU   A 1 123 ? -6.580  -3.891  2.258   1.000 15.186 0 234 LEU   A CB    1 ? 
ATOM   2070 C  CG    . LEU   A 1 123 ? -6.870  -2.847  3.345   1.000 16.124 0 234 LEU   A CG    1 ? 
ATOM   2071 C  CD1   . LEU   A 1 123 ? -8.285  -2.344  3.200   1.000 16.451 0 234 LEU   A CD1   1 ? 
ATOM   2072 C  CD2   . LEU   A 1 123 ? -6.612  -3.369  4.737   1.000 16.978 0 234 LEU   A CD2   1 ? 
ATOM   2073 H  H     . LEU   A 1 123 ? -5.320  -4.628  -0.055  1.000 13.894 0 234 LEU   A H     1 c 
ATOM   2074 H  HA    . LEU   A 1 123 ? -7.706  -3.306  0.614   1.000 14.310 0 234 LEU   A HA    1 c 
ATOM   2075 H  HB2   . LEU   A 1 123 ? -7.176  -4.661  2.402   1.000 15.163 0 234 LEU   A HB2   1 c 
ATOM   2076 H  HB3   . LEU   A 1 123 ? -5.655  -4.209  2.374   1.000 15.142 0 234 LEU   A HB3   1 c 
ATOM   2077 H  HG    . LEU   A 1 123 ? -6.262  -2.077  3.201   1.000 16.080 0 234 LEU   A HG    1 c 
ATOM   2078 H  HD11  . LEU   A 1 123 ? -8.390  -1.906  2.340   1.000 16.295 0 234 LEU   A HD11  1 c 
ATOM   2079 H  HD12  . LEU   A 1 123 ? -8.477  -1.710  3.911   1.000 16.293 0 234 LEU   A HD12  1 c 
ATOM   2080 H  HD13  . LEU   A 1 123 ? -8.903  -3.092  3.260   1.000 16.353 0 234 LEU   A HD13  1 c 
ATOM   2081 H  HD21  . LEU   A 1 123 ? -5.678  -3.626  4.820   1.000 16.795 0 234 LEU   A HD21  1 c 
ATOM   2082 H  HD22  . LEU   A 1 123 ? -7.176  -4.143  4.903   1.000 16.814 0 234 LEU   A HD22  1 c 
ATOM   2083 H  HD23  . LEU   A 1 123 ? -6.816  -2.676  5.387   1.000 16.842 0 234 LEU   A HD23  1 c 
ATOM   2084 N  N     . GLY   A 1 124 ? -6.770  -1.082  0.155   1.000 14.168 0 235 GLY   A N     1 ? 
ATOM   2085 C  CA    . GLY   A 1 124 ? -6.259  0.273   0.046   1.000 14.153 0 235 GLY   A CA    1 ? 
ATOM   2086 C  C     . GLY   A 1 124 ? -6.516  1.044   1.333   1.000 13.691 0 235 GLY   A C     1 ? 
ATOM   2087 O  O     . GLY   A 1 124 ? -7.602  0.963   1.889   1.000 14.577 0 235 GLY   A O     1 ? 
ATOM   2088 H  H     . GLY   A 1 124 ? -7.638  -1.240  -0.084  1.000 14.189 0 235 GLY   A H     1 c 
ATOM   2089 H  HA2   . GLY   A 1 124 ? -5.293  0.245   -0.144  1.000 14.064 0 235 GLY   A HA2   1 c 
ATOM   2090 H  HA3   . GLY   A 1 124 ? -6.705  0.727   -0.707  1.000 14.090 0 235 GLY   A HA3   1 c 
ATOM   2091 N  N     . ILE   A 1 125 ? -5.501  1.786   1.753   1.000 13.886 0 236 ILE   A N     1 ? 
ATOM   2092 C  CA    . ILE   A 1 125 ? -5.583  2.615   2.939   1.000 14.457 0 236 ILE   A CA    1 ? 
ATOM   2093 C  C     . ILE   A 1 125 ? -5.250  4.040   2.523   1.000 15.254 0 236 ILE   A C     1 ? 
ATOM   2094 O  O     . ILE   A 1 125 ? -4.163  4.282   1.999   1.000 17.239 0 236 ILE   A O     1 ? 
ATOM   2095 C  CB    . ILE   A 1 125 ? -4.631  2.107   4.040   1.000 15.838 0 236 ILE   A CB    1 ? 
ATOM   2096 C  CG1   . ILE   A 1 125 ? -4.881  0.640   4.377   1.000 16.564 0 236 ILE   A CG1   1 ? 
ATOM   2097 C  CG2   . ILE   A 1 125 ? -4.713  2.991   5.281   1.000 16.213 0 236 ILE   A CG2   1 ? 
ATOM   2098 C  CD1   . ILE   A 1 125 ? -3.811  0.044   5.258   1.000 17.766 0 236 ILE   A CD1   1 ? 
ATOM   2099 H  H     . ILE   A 1 125 ? -4.719  1.779   1.279   1.000 13.895 0 236 ILE   A H     1 c 
ATOM   2100 H  HA    . ILE   A 1 125 ? -6.497  2.589   3.281   1.000 14.653 0 236 ILE   A HA    1 c 
ATOM   2101 H  HB    . ILE   A 1 125 ? -3.720  2.174   3.691   1.000 15.777 0 236 ILE   A HB    1 c 
ATOM   2102 H  HG12  . ILE   A 1 125 ? -5.745  0.561   4.829   1.000 16.599 0 236 ILE   A HG12  1 c 
ATOM   2103 H  HG13  . ILE   A 1 125 ? -4.927  0.126   3.546   1.000 16.544 0 236 ILE   A HG13  1 c 
ATOM   2104 H  HG21  . ILE   A 1 125 ? -4.103  2.661   5.961   1.000 16.172 0 236 ILE   A HG21  1 c 
ATOM   2105 H  HG22  . ILE   A 1 125 ? -5.620  2.979   5.631   1.000 16.126 0 236 ILE   A HG22  1 c 
ATOM   2106 H  HG23  . ILE   A 1 125 ? -4.470  3.903   5.051   1.000 16.133 0 236 ILE   A HG23  1 c 
ATOM   2107 H  HD11  . ILE   A 1 125 ? -2.938  0.169   4.840   1.000 17.520 0 236 ILE   A HD11  1 c 
ATOM   2108 H  HD12  . ILE   A 1 125 ? -3.981  -0.910  5.370   1.000 17.493 0 236 ILE   A HD12  1 c 
ATOM   2109 H  HD13  . ILE   A 1 125 ? -3.816  0.477   6.132   1.000 17.593 0 236 ILE   A HD13  1 c 
ATOM   2110 N  N     . SER   A 1 126 ? -6.177  4.973   2.764   1.000 15.059 0 237 SER   A N     1 ? 
ATOM   2111 C  CA    . SER   A 1 126 ? -5.970  6.356   2.365   1.000 15.459 0 237 SER   A CA    1 ? 
ATOM   2112 C  C     . SER   A 1 126 ? -6.535  7.311   3.410   1.000 14.947 0 237 SER   A C     1 ? 
ATOM   2113 O  O     . SER   A 1 126 ? -7.310  6.920   4.276   1.000 14.946 0 237 SER   A O     1 ? 
ATOM   2114 C  CB    . SER   A 1 126 ? -6.557  6.613   0.998   1.000 16.311 0 237 SER   A CB    1 ? 
ATOM   2115 O  OG    . SER   A 1 126 ? -7.938  6.287   0.954   1.000 17.788 0 237 SER   A OG    1 ? 
ATOM   2116 H  H     . SER   A 1 126 ? -6.955  4.744   3.185   1.000 15.116 0 237 SER   A H     1 c 
ATOM   2117 H  HA    . SER   A 1 126 ? -4.997  6.515   2.309   1.000 15.455 0 237 SER   A HA    1 c 
ATOM   2118 H  HB2   . SER   A 1 126 ? -6.441  7.554   0.770   1.000 16.399 0 237 SER   A HB2   1 c 
ATOM   2119 H  HB3   . SER   A 1 126 ? -6.078  6.079   0.337   1.000 16.336 0 237 SER   A HB3   1 c 
ATOM   2120 H  HG    . SER   A 1 126 ? -8.228  6.451   0.169   0.000 18.513 0 237 SER   A HG    1 c 
ATOM   2121 N  N     . GLY   A 1 127 ? -6.124  8.570   3.283   1.000 15.568 0 238 GLY   A N     1 ? 
ATOM   2122 C  CA    . GLY   A 1 127 ? -6.696  9.661   4.048   1.000 15.670 0 238 GLY   A CA    1 ? 
ATOM   2123 C  C     . GLY   A 1 127 ? -5.740  10.182  5.112   1.000 16.136 0 238 GLY   A C     1 ? 
ATOM   2124 O  O     . GLY   A 1 127 ? -4.525  10.005  5.023   1.000 16.142 0 238 GLY   A O     1 ? 
ATOM   2125 H  H     . GLY   A 1 127 ? -5.457  8.758   2.687   1.000 15.425 0 238 GLY   A H     1 c 
ATOM   2126 H  HA2   . GLY   A 1 127 ? -6.927  10.395  3.432   1.000 15.692 0 238 GLY   A HA2   1 c 
ATOM   2127 H  HA3   . GLY   A 1 127 ? -7.529  9.355   4.477   1.000 15.734 0 238 GLY   A HA3   1 c 
ATOM   2128 N  N     . ASP   A 1 128 ? -6.336  10.775  6.150   1.000 16.611 0 239 ASP   A N     1 ? 
ATOM   2129 C  CA    . ASP   A 1 128 ? -5.642  11.708  7.032   1.000 17.132 0 239 ASP   A CA    1 ? 
ATOM   2130 C  C     . ASP   A 1 128 ? -5.082  10.993  8.261   1.000 16.870 0 239 ASP   A C     1 ? 
ATOM   2131 O  O     . ASP   A 1 128 ? -5.462  11.262  9.408   1.000 17.802 0 239 ASP   A O     1 ? 
ATOM   2132 C  CB    . ASP   A 1 128 ? -6.544  12.888  7.348   1.000 18.720 0 239 ASP   A CB    1 ? 
ATOM   2133 C  CG    . ASP   A 1 128 ? -7.016  13.650  6.119   1.000 18.818 0 239 ASP   A CG    1 ? 
ATOM   2134 O  OD1   . ASP   A 1 128 ? -6.275  13.649  5.108   1.000 21.628 0 239 ASP   A OD1   1 ? 
ATOM   2135 O  OD2   . ASP   A 1 128 ? -8.151  14.155  6.143   1.000 19.448 0 239 ASP   A OD2   1 ? 
ATOM   2136 H  H     . ASP   A 1 128 ? -7.215  10.590  6.318   1.000 16.623 0 239 ASP   A H     1 c 
ATOM   2137 H  HA    . ASP   A 1 128 ? -4.876  12.077  6.537   1.000 17.256 0 239 ASP   A HA    1 c 
ATOM   2138 H  HB2   . ASP   A 1 128 ? -7.331  12.566  7.835   1.000 18.433 0 239 ASP   A HB2   1 c 
ATOM   2139 H  HB3   . ASP   A 1 128 ? -6.060  13.509  7.931   1.000 18.481 0 239 ASP   A HB3   1 c 
ATOM   2140 N  N     . ILE   A 1 129 ? -4.128  10.097  7.998   1.000 16.702 0 240 ILE   A N     1 ? 
ATOM   2141 C  CA    . ILE   A 1 129 ? -3.484  9.304   9.031   1.000 16.601 0 240 ILE   A CA    1 ? 
ATOM   2142 C  C     . ILE   A 1 129 ? -1.982  9.241   8.784   1.000 16.773 0 240 ILE   A C     1 ? 
ATOM   2143 O  O     . ILE   A 1 129 ? -1.519  9.392   7.653   1.000 17.329 0 240 ILE   A O     1 ? 
ATOM   2144 C  CB    . ILE   A 1 129 ? -4.061  7.875   9.099   1.000 16.682 0 240 ILE   A CB    1 ? 
ATOM   2145 C  CG1   . ILE   A 1 129 ? -3.750  7.080   7.832   1.000 17.321 0 240 ILE   A CG1   1 ? 
ATOM   2146 C  CG2   . ILE   A 1 129 ? -5.562  7.898   9.352   1.000 17.526 0 240 ILE   A CG2   1 ? 
ATOM   2147 C  CD1   . ILE   A 1 129 ? -4.036  5.591   7.918   1.000 17.117 0 240 ILE   A CD1   1 ? 
ATOM   2148 H  H     . ILE   A 1 129 ? -3.865  9.977   7.131   1.000 16.663 0 240 ILE   A H     1 c 
ATOM   2149 H  HA    . ILE   A 1 129 ? -3.638  9.738   9.892   1.000 16.651 0 240 ILE   A HA    1 c 
ATOM   2150 H  HB    . ILE   A 1 129 ? -3.636  7.417   9.852   1.000 16.826 0 240 ILE   A HB    1 c 
ATOM   2151 H  HG12  . ILE   A 1 129 ? -4.274  7.455   7.095   1.000 17.221 0 240 ILE   A HG12  1 c 
ATOM   2152 H  HG13  . ILE   A 1 129 ? -2.804  7.198   7.612   1.000 17.218 0 240 ILE   A HG13  1 c 
ATOM   2153 H  HG21  . ILE   A 1 129 ? -5.891  6.989   9.452   1.000 17.379 0 240 ILE   A HG21  1 c 
ATOM   2154 H  HG22  . ILE   A 1 129 ? -6.012  8.323   8.604   1.000 17.353 0 240 ILE   A HG22  1 c 
ATOM   2155 H  HG23  . ILE   A 1 129 ? -5.747  8.397   10.166  1.000 17.386 0 240 ILE   A HG23  1 c 
ATOM   2156 H  HD11  . ILE   A 1 129 ? -3.501  5.198   8.634   1.000 17.138 0 240 ILE   A HD11  1 c 
ATOM   2157 H  HD12  . ILE   A 1 129 ? -3.802  5.167   7.071   1.000 17.105 0 240 ILE   A HD12  1 c 
ATOM   2158 H  HD13  . ILE   A 1 129 ? -4.982  5.443   8.102   1.000 17.153 0 240 ILE   A HD13  1 c 
ATOM   2159 N  N     A ASP   A 1 130 ? -1.231  9.057   9.875   0.500 16.891 0 241 ASP   A N     1 ? 
ATOM   2160 N  N     B ASP   A 1 130 ? -1.255  9.018   9.884   0.500 16.892 0 241 ASP   A N     1 ? 
ATOM   2161 C  CA    A ASP   A 1 130 ? 0.101   8.477   9.819   0.500 17.692 0 241 ASP   A CA    1 ? 
ATOM   2162 C  CA    B ASP   A 1 130 ? 0.092   8.474   9.885   0.500 17.574 0 241 ASP   A CA    1 ? 
ATOM   2163 C  C     A ASP   A 1 130 ? -0.071  6.976   10.014  0.500 17.046 0 241 ASP   A C     1 ? 
ATOM   2164 C  C     B ASP   A 1 130 ? -0.038  6.962   10.041  0.500 17.146 0 241 ASP   A C     1 ? 
ATOM   2165 O  O     A ASP   A 1 130 ? -0.601  6.555   11.031  0.500 18.407 0 241 ASP   A O     1 ? 
ATOM   2166 O  O     B ASP   A 1 130 ? -0.488  6.508   11.082  0.500 18.610 0 241 ASP   A O     1 ? 
ATOM   2167 C  CB    A ASP   A 1 130 ? 1.033   9.101   10.847  0.500 19.817 0 241 ASP   A CB    1 ? 
ATOM   2168 C  CB    B ASP   A 1 130 ? 0.894   9.049   11.045  0.500 19.439 0 241 ASP   A CB    1 ? 
ATOM   2169 C  CG    A ASP   A 1 130 ? 1.326   10.578  10.624  0.500 21.434 0 241 ASP   A CG    1 ? 
ATOM   2170 C  CG    B ASP   A 1 130 ? 2.301   8.495   11.205  0.500 21.217 0 241 ASP   A CG    1 ? 
ATOM   2171 O  OD1   A ASP   A 1 130 ? 1.466   10.975  9.447   0.500 22.824 0 241 ASP   A OD1   1 ? 
ATOM   2172 O  OD1   B ASP   A 1 130 ? 2.852   8.007   10.201  0.500 23.127 0 241 ASP   A OD1   1 ? 
ATOM   2173 O  OD2   A ASP   A 1 130 ? 1.436   11.309  11.626  0.500 24.192 0 241 ASP   A OD2   1 ? 
ATOM   2174 O  OD2   B ASP   A 1 130 ? 2.818   8.529   12.340  0.500 24.330 0 241 ASP   A OD2   1 ? 
ATOM   2175 H  H     A ASP   A 1 130 ? -1.564  9.308   10.688  0.500 16.924 0 241 ASP   A H     1 c 
ATOM   2176 H  H     B ASP   A 1 130 ? -1.632  9.222   10.691  0.500 16.919 0 241 ASP   A H     1 c 
ATOM   2177 H  HA    A ASP   A 1 130 ? 0.478   8.645   8.928   0.500 17.665 0 241 ASP   A HA    1 c 
ATOM   2178 H  HA    B ASP   A 1 130 ? 0.528   8.686   9.029   0.500 17.549 0 241 ASP   A HA    1 c 
ATOM   2179 H  HB2   A ASP   A 1 130 ? 0.636   8.998   11.737  0.500 19.788 0 241 ASP   A HB2   1 c 
ATOM   2180 H  HB2   B ASP   A 1 130 ? 0.961   10.020  10.925  0.500 19.341 0 241 ASP   A HB2   1 c 
ATOM   2181 H  HB3   A ASP   A 1 130 ? 1.884   8.614   10.838  0.500 19.654 0 241 ASP   A HB3   1 c 
ATOM   2182 H  HB3   B ASP   A 1 130 ? 0.404   8.884   11.877  0.500 19.444 0 241 ASP   A HB3   1 c 
ATOM   2183 N  N     . LEU   A 1 131 ? 0.315   6.187   9.013   1.000 16.473 0 242 LEU   A N     1 ? 
ATOM   2184 C  CA    . LEU   A 1 131 ? 0.124   4.741   9.041   1.000 15.705 0 242 LEU   A CA    1 ? 
ATOM   2185 C  C     . LEU   A 1 131 ? 1.350   4.075   9.651   1.000 15.939 0 242 LEU   A C     1 ? 
ATOM   2186 O  O     . LEU   A 1 131 ? 2.468   4.326   9.219   1.000 17.085 0 242 LEU   A O     1 ? 
ATOM   2187 C  CB    . LEU   A 1 131 ? -0.130  4.239   7.622   1.000 15.687 0 242 LEU   A CB    1 ? 
ATOM   2188 C  CG    . LEU   A 1 131 ? -0.288  2.723   7.472   1.000 15.616 0 242 LEU   A CG    1 ? 
ATOM   2189 C  CD1   . LEU   A 1 131 ? -1.500  2.221   8.241   1.000 16.112 0 242 LEU   A CD1   1 ? 
ATOM   2190 C  CD2   . LEU   A 1 131 ? -0.381  2.339   6.007   1.000 16.111 0 242 LEU   A CD2   1 ? 
ATOM   2191 H  H     . LEU   A 1 131 ? 0.699   6.563   8.274   1.000 16.419 0 242 LEU   A H     1 c 
ATOM   2192 H  HA    . LEU   A 1 131 ? -0.666  4.537   9.602   1.000 15.726 0 242 LEU   A HA    1 c 
ATOM   2193 H  HB2   . LEU   A 1 131 ? -0.948  4.672   7.284   1.000 15.651 0 242 LEU   A HB2   1 c 
ATOM   2194 H  HB3   . LEU   A 1 131 ? 0.620   4.531   7.053   1.000 15.613 0 242 LEU   A HB3   1 c 
ATOM   2195 H  HG    . LEU   A 1 131 ? 0.518   2.287   7.850   1.000 15.641 0 242 LEU   A HG    1 c 
ATOM   2196 H  HD11  . LEU   A 1 131 ? -1.392  2.418   9.185   1.000 16.084 0 242 LEU   A HD11  1 c 
ATOM   2197 H  HD12  . LEU   A 1 131 ? -1.586  1.261   8.119   1.000 15.998 0 242 LEU   A HD12  1 c 
ATOM   2198 H  HD13  . LEU   A 1 131 ? -2.300  2.661   7.908   1.000 16.012 0 242 LEU   A HD13  1 c 
ATOM   2199 H  HD21  . LEU   A 1 131 ? 0.427   2.620   5.546   1.000 16.042 0 242 LEU   A HD21  1 c 
ATOM   2200 H  HD22  . LEU   A 1 131 ? -1.151  2.775   5.605   1.000 16.015 0 242 LEU   A HD22  1 c 
ATOM   2201 H  HD23  . LEU   A 1 131 ? -0.479  1.375   5.930   1.000 16.009 0 242 LEU   A HD23  1 c 
ATOM   2202 N  N     . THR   A 1 132 ? 1.132   3.298   10.723  1.000 15.644 0 243 THR   A N     1 ? 
ATOM   2203 C  CA    . THR   A 1 132 ? 2.205   2.609   11.432  1.000 16.799 0 243 THR   A CA    1 ? 
ATOM   2204 C  C     . THR   A 1 132 ? 2.412   1.197   10.892  1.000 16.668 0 243 THR   A C     1 ? 
ATOM   2205 O  O     . THR   A 1 132 ? 3.550   0.805   10.626  1.000 19.292 0 243 THR   A O     1 ? 
ATOM   2206 C  CB    . THR   A 1 132 ? 1.924   2.587   12.935  1.000 18.435 0 243 THR   A CB    1 ? 
ATOM   2207 O  OG1   . THR   A 1 132 ? 1.828   3.953   13.328  1.000 19.951 0 243 THR   A OG1   1 ? 
ATOM   2208 C  CG2   . THR   A 1 132 ? 3.031   1.871   13.681  1.000 20.329 0 243 THR   A CG2   1 ? 
ATOM   2209 H  H     . THR   A 1 132 ? 0.275   3.194   11.023  1.000 15.787 0 243 THR   A H     1 c 
ATOM   2210 H  HA    . THR   A 1 132 ? 3.035   3.113   11.291  1.000 16.757 0 243 THR   A HA    1 c 
ATOM   2211 H  HB    . THR   A 1 132 ? 1.064   2.134   13.108  1.000 18.632 0 243 THR   A HB    1 c 
ATOM   2212 H  HG1   . THR   A 1 132 ? 2.550   4.370   13.140  0.000 20.639 0 243 THR   A HG1   1 c 
ATOM   2213 H  HG21  . THR   A 1 132 ? 2.856   1.911   14.636  1.000 20.072 0 243 THR   A HG21  1 c 
ATOM   2214 H  HG22  . THR   A 1 132 ? 3.882   2.302   13.491  1.000 19.921 0 243 THR   A HG22  1 c 
ATOM   2215 H  HG23  . THR   A 1 132 ? 3.070   0.942   13.399  1.000 19.953 0 243 THR   A HG23  1 c 
ATOM   2216 N  N     . SER   A 1 133 ? 1.326   0.436   10.719  1.000 16.901 0 244 SER   A N     1 ? 
ATOM   2217 C  CA    . SER   A 1 133 ? 1.431   -0.912  10.189  1.000 17.968 0 244 SER   A CA    1 ? 
ATOM   2218 C  C     . SER   A 1 133 ? 0.072   -1.398  9.701   1.000 16.414 0 244 SER   A C     1 ? 
ATOM   2219 O  O     . SER   A 1 133 ? -0.977  -0.926  10.130  1.000 15.615 0 244 SER   A O     1 ? 
ATOM   2220 C  CB    . SER   A 1 133 ? 2.022   -1.860  11.180  1.000 20.345 0 244 SER   A CB    1 ? 
ATOM   2221 O  OG    . SER   A 1 133 ? 1.116   -2.013  12.248  1.000 21.406 0 244 SER   A OG    1 ? 
ATOM   2222 H  H     . SER   A 1 133 ? 0.502   0.764   10.942  1.000 17.003 0 244 SER   A H     1 c 
ATOM   2223 H  HA    . SER   A 1 133 ? 2.037   -0.878  9.405   1.000 17.753 0 244 SER   A HA    1 c 
ATOM   2224 H  HB2   . SER   A 1 133 ? 2.183   -2.723  10.754  1.000 19.994 0 244 SER   A HB2   1 c 
ATOM   2225 H  HB3   . SER   A 1 133 ? 2.870   -1.509  11.511  1.000 19.971 0 244 SER   A HB3   1 c 
ATOM   2226 H  HG    . SER   A 1 133 ? 1.442   -2.539  12.816  0.000 22.966 0 244 SER   A HG    1 c 
ATOM   2227 N  N     . ALA   A 1 134 ? 0.130   -2.350  8.772   1.000 16.298 0 245 ALA   A N     1 ? 
ATOM   2228 C  CA    . ALA   A 1 134 ? -1.038  -3.015  8.223   1.000 15.915 0 245 ALA   A CA    1 ? 
ATOM   2229 C  C     . ALA   A 1 134 ? -0.666  -4.477  8.048   1.000 16.562 0 245 ALA   A C     1 ? 
ATOM   2230 O  O     . ALA   A 1 134 ? 0.289   -4.779  7.343   1.000 18.668 0 245 ALA   A O     1 ? 
ATOM   2231 C  CB    . ALA   A 1 134 ? -1.439  -2.372  6.914   1.000 17.224 0 245 ALA   A CB    1 ? 
ATOM   2232 H  H     . ALA   A 1 134 ? 0.953   -2.599  8.460   1.000 16.213 0 245 ALA   A H     1 c 
ATOM   2233 H  HA    . ALA   A 1 134 ? -1.786  -2.946  8.876   1.000 16.147 0 245 ALA   A HA    1 c 
ATOM   2234 H  HB1   . ALA   A 1 134 ? -1.648  -1.434  7.061   1.000 16.945 0 245 ALA   A HB1   1 c 
ATOM   2235 H  HB2   . ALA   A 1 134 ? -0.709  -2.443  6.278   1.000 17.038 0 245 ALA   A HB2   1 c 
ATOM   2236 H  HB3   . ALA   A 1 134 ? -2.222  -2.822  6.555   1.000 16.983 0 245 ALA   A HB3   1 c 
ATOM   2237 N  N     . SER   A 1 135 ? -1.409  -5.380  8.679   1.000 16.201 0 246 SER   A N     1 ? 
ATOM   2238 C  CA    . SER   A 1 135 ? -1.050  -6.787  8.639   1.000 17.275 0 246 SER   A CA    1 ? 
ATOM   2239 C  C     . SER   A 1 135 ? -2.300  -7.611  8.889   1.000 17.405 0 246 SER   A C     1 ? 
ATOM   2240 O  O     . SER   A 1 135 ? -3.361  -7.058  9.168   1.000 17.570 0 246 SER   A O     1 ? 
ATOM   2241 C  CB    . SER   A 1 135 ? 0.029   -7.104  9.638   1.000 19.365 0 246 SER   A CB    1 ? 
ATOM   2242 O  OG    . SER   A 1 135 ? -0.430  -6.844  10.958  1.000 21.330 0 246 SER   A OG    1 ? 
ATOM   2243 H  H     . SER   A 1 135 ? -2.150  -5.120  9.146   1.000 16.425 0 246 SER   A H     1 c 
ATOM   2244 H  HA    . SER   A 1 135 ? -0.714  -7.000  7.731   1.000 17.278 0 246 SER   A HA    1 c 
ATOM   2245 H  HB2   . SER   A 1 135 ? 0.281   -8.043  9.559   1.000 19.164 0 246 SER   A HB2   1 c 
ATOM   2246 H  HB3   . SER   A 1 135 ? 0.815   -6.557  9.452   1.000 19.154 0 246 SER   A HB3   1 c 
ATOM   2247 H  HG    . SER   A 1 135 ? 0.184   -7.025  11.522  0.000 23.295 0 246 SER   A HG    1 c 
ATOM   2248 N  N     . TYR   A 1 136 ? -2.168  -8.930  8.758   1.000 19.383 0 247 TYR   A N     1 ? 
ATOM   2249 C  CA    . TYR   A 1 136 ? -3.280  -9.819  9.038   1.000 21.047 0 247 TYR   A CA    1 ? 
ATOM   2250 C  C     . TYR   A 1 136 ? -2.762  -11.107 9.664   1.000 20.927 0 247 TYR   A C     1 ? 
ATOM   2251 O  O     . TYR   A 1 136 ? -1.585  -11.434 9.548   1.000 21.823 0 247 TYR   A O     1 ? 
ATOM   2252 C  CB    . TYR   A 1 136 ? -4.105  -10.073 7.772   1.000 22.280 0 247 TYR   A CB    1 ? 
ATOM   2253 C  CG    . TYR   A 1 136 ? -3.308  -10.493 6.543   1.000 23.136 0 247 TYR   A CG    1 ? 
ATOM   2254 C  CD1   . TYR   A 1 136 ? -2.959  -11.820 6.334   1.000 25.342 0 247 TYR   A CD1   1 ? 
ATOM   2255 C  CD2   . TYR   A 1 136 ? -2.915  -9.565  5.584   1.000 24.921 0 247 TYR   A CD2   1 ? 
ATOM   2256 C  CE1   . TYR   A 1 136 ? -2.244  -12.209 5.211   1.000 26.578 0 247 TYR   A CE1   1 ? 
ATOM   2257 C  CE2   . TYR   A 1 136 ? -2.198  -9.941  4.457   1.000 26.492 0 247 TYR   A CE2   1 ? 
ATOM   2258 C  CZ    . TYR   A 1 136 ? -1.853  -11.269 4.275   1.000 28.655 0 247 TYR   A CZ    1 ? 
ATOM   2259 O  OH    . TYR   A 1 136 ? -1.141  -11.661 3.174   1.000 32.954 0 247 TYR   A OH    1 ? 
ATOM   2260 H  H     . TYR   A 1 136 ? -1.371  -9.284  8.483   1.000 19.185 0 247 TYR   A H     1 c 
ATOM   2261 H  HA    . TYR   A 1 136 ? -3.868  -9.372  9.700   1.000 20.879 0 247 TYR   A HA    1 c 
ATOM   2262 H  HB2   . TYR   A 1 136 ? -4.767  -10.772 7.970   1.000 22.103 0 247 TYR   A HB2   1 c 
ATOM   2263 H  HB3   . TYR   A 1 136 ? -4.600  -9.252  7.558   1.000 22.118 0 247 TYR   A HB3   1 c 
ATOM   2264 H  HD1   . TYR   A 1 136 ? -3.216  -12.472 6.966   1.000 25.134 0 247 TYR   A HD1   1 c 
ATOM   2265 H  HD2   . TYR   A 1 136 ? -3.143  -8.657  5.701   1.000 24.762 0 247 TYR   A HD2   1 c 
ATOM   2266 H  HE1   . TYR   A 1 136 ? -2.012  -13.114 5.092   1.000 26.415 0 247 TYR   A HE1   1 c 
ATOM   2267 H  HE2   . TYR   A 1 136 ? -1.936  -9.294  3.824   1.000 26.717 0 247 TYR   A HE2   1 c 
ATOM   2268 H  HH    . TYR   A 1 136 ? -1.675  -11.871 2.543   0.000 52.090 0 247 TYR   A HH    1 c 
ATOM   2269 N  N     . THR   A 1 137 ? -3.676  -11.823 10.320  1.000 21.159 0 248 THR   A N     1 ? 
ATOM   2270 C  CA    . THR   A 1 137 ? -3.415  -13.146 10.865  1.000 21.605 0 248 THR   A CA    1 ? 
ATOM   2271 C  C     . THR   A 1 137 ? -4.734  -13.912 10.849  1.000 20.641 0 248 THR   A C     1 ? 
ATOM   2272 O  O     . THR   A 1 137 ? -5.778  -13.338 10.543  1.000 22.631 0 248 THR   A O     1 ? 
ATOM   2273 C  CB    . THR   A 1 137 ? -2.822  -13.019 12.270  1.000 23.333 0 248 THR   A CB    1 ? 
ATOM   2274 O  OG1   . THR   A 1 137 ? -2.338  -14.312 12.625  1.000 26.791 0 248 THR   A OG1   1 ? 
ATOM   2275 C  CG2   . THR   A 1 137 ? -3.826  -12.513 13.293  1.000 23.317 0 248 THR   A CG2   1 ? 
ATOM   2276 H  H     . THR   A 1 137 ? -4.508  -11.464 10.437  1.000 21.197 0 248 THR   A H     1 c 
ATOM   2277 H  HA    . THR   A 1 137 ? -2.768  -13.607 10.287  1.000 21.591 0 248 THR   A HA    1 c 
ATOM   2278 H  HB    . THR   A 1 137 ? -2.061  -12.392 12.242  1.000 23.429 0 248 THR   A HB    1 c 
ATOM   2279 H  HG1   . THR   A 1 137 ? -2.959  -14.889 12.631  0.000 31.062 0 248 THR   A HG1   1 c 
ATOM   2280 H  HG21  . THR   A 1 137 ? -3.388  -12.417 14.156  1.000 23.250 0 248 THR   A HG21  1 c 
ATOM   2281 H  HG22  . THR   A 1 137 ? -4.559  -13.146 13.374  1.000 23.358 0 248 THR   A HG22  1 c 
ATOM   2282 H  HG23  . THR   A 1 137 ? -4.173  -11.651 13.009  1.000 23.374 0 248 THR   A HG23  1 c 
ATOM   2283 N  N     A MET   A 1 138 ? -4.673  -15.209 11.167  0.500 21.486 0 249 MET   A N     1 ? 
ATOM   2284 N  N     B MET   A 1 138 ? -4.657  -15.215 11.132  0.500 21.784 0 249 MET   A N     1 ? 
ATOM   2285 C  CA    A MET   A 1 138 ? -5.862  -16.038 11.306  0.500 21.720 0 249 MET   A CA    1 ? 
ATOM   2286 C  CA    B MET   A 1 138 ? -5.832  -16.048 11.333  0.500 22.375 0 249 MET   A CA    1 ? 
ATOM   2287 C  C     A MET   A 1 138 ? -6.087  -16.320 12.792  0.500 22.761 0 249 MET   A C     1 ? 
ATOM   2288 C  C     B MET   A 1 138 ? -6.052  -16.197 12.836  0.500 23.247 0 249 MET   A C     1 ? 
ATOM   2289 O  O     A MET   A 1 138 ? -5.164  -16.773 13.470  0.500 24.296 0 249 MET   A O     1 ? 
ATOM   2290 O  O     B MET   A 1 138 ? -5.085  -16.398 13.572  0.500 24.773 0 249 MET   A O     1 ? 
ATOM   2291 C  CB    A MET   A 1 138 ? -5.695  -17.360 10.544  0.500 22.998 0 249 MET   A CB    1 ? 
ATOM   2292 C  CB    B MET   A 1 138 ? -5.635  -17.429 10.696  0.500 24.132 0 249 MET   A CB    1 ? 
ATOM   2293 C  CG    A MET   A 1 138 ? -5.359  -17.198 9.069   0.500 23.640 0 249 MET   A CG    1 ? 
ATOM   2294 C  CG    B MET   A 1 138 ? -5.447  -17.393 9.192   0.500 24.910 0 249 MET   A CG    1 ? 
ATOM   2295 S  SD    A MET   A 1 138 ? -6.651  -16.391 8.098   0.500 23.978 0 249 MET   A SD    1 ? 
ATOM   2296 S  SD    B MET   A 1 138 ? -6.889  -16.755 8.315   0.500 26.890 0 249 MET   A SD    1 ? 
ATOM   2297 C  CE    A MET   A 1 138 ? -5.873  -16.318 6.481   0.500 23.991 0 249 MET   A CE    1 ? 
ATOM   2298 C  CE    B MET   A 1 138 ? -8.070  -18.088 8.563   0.500 25.186 0 249 MET   A CE    1 ? 
ATOM   2299 H  H     A MET   A 1 138 ? -3.854  -15.592 11.302  0.500 21.339 0 249 MET   A H     1 c 
ATOM   2300 H  H     B MET   A 1 138 ? -3.831  -15.601 11.203  0.500 21.621 0 249 MET   A H     1 c 
ATOM   2301 H  HA    A MET   A 1 138 ? -6.639  -15.544 10.947  0.500 21.978 0 249 MET   A HA    1 c 
ATOM   2302 H  HA    B MET   A 1 138 ? -6.616  -15.601 10.927  0.500 22.580 0 249 MET   A HA    1 c 
ATOM   2303 H  HB2   A MET   A 1 138 ? -4.984  -17.879 10.976  0.500 22.835 0 249 MET   A HB2   1 c 
ATOM   2304 H  HB2   B MET   A 1 138 ? -4.850  -17.852 11.105  0.500 23.894 0 249 MET   A HB2   1 c 
ATOM   2305 H  HB3   A MET   A 1 138 ? -6.528  -17.873 10.625  0.500 22.864 0 249 MET   A HB3   1 c 
ATOM   2306 H  HB3   B MET   A 1 138 ? -6.416  -17.985 10.906  0.500 23.912 0 249 MET   A HB3   1 c 
ATOM   2307 H  HG2   A MET   A 1 138 ? -4.537  -16.674 8.985   0.500 23.537 0 249 MET   A HG2   1 c 
ATOM   2308 H  HG2   B MET   A 1 138 ? -4.676  -16.831 8.977   0.500 24.996 0 249 MET   A HG2   1 c 
ATOM   2309 H  HG3   A MET   A 1 138 ? -5.187  -18.080 8.683   0.500 23.548 0 249 MET   A HG3   1 c 
ATOM   2310 H  HG3   B MET   A 1 138 ? -5.258  -18.297 8.870   0.500 25.004 0 249 MET   A HG3   1 c 
ATOM   2311 H  HE1   A MET   A 1 138 ? -6.486  -15.903 5.845   0.500 24.041 0 249 MET   A HE1   1 c 
ATOM   2312 H  HE1   B MET   A 1 138 ? -8.915  -17.857 8.137   0.500 25.299 0 249 MET   A HE1   1 c 
ATOM   2313 H  HE2   A MET   A 1 138 ? -5.056  -15.790 6.537   0.500 24.015 0 249 MET   A HE2   1 c 
ATOM   2314 H  HE2   B MET   A 1 138 ? -7.720  -18.909 8.169   0.500 25.440 0 249 MET   A HE2   1 c 
ATOM   2315 H  HE3   A MET   A 1 138 ? -5.658  -17.221 6.183   0.500 23.972 0 249 MET   A HE3   1 c 
ATOM   2316 H  HE3   B MET   A 1 138 ? -8.213  -18.221 9.519   0.500 25.263 0 249 MET   A HE3   1 c 
ATOM   2317 N  N     . ILE   A 1 139 ? -7.306  -16.056 13.290  1.000 23.023 0 250 ILE   A N     1 ? 
ATOM   2318 C  CA    . ILE   A 1 139 ? -7.636  -16.261 14.704  1.000 25.257 0 250 ILE   A CA    1 ? 
ATOM   2319 C  C     . ILE   A 1 139 ? -8.004  -17.735 14.940  1.000 26.940 0 250 ILE   A C     1 ? 
ATOM   2320 O  O     . ILE   A 1 139 ? -7.930  -18.154 16.118  1.000 29.733 0 250 ILE   A O     1 ? 
ATOM   2321 C  CB    . ILE   A 1 139 ? -8.772  -15.341 15.198  1.000 26.144 0 250 ILE   A CB    1 ? 
ATOM   2322 C  CG1   . ILE   A 1 139 ? -10.121 -15.685 14.539  1.000 26.450 0 250 ILE   A CG1   1 ? 
ATOM   2323 C  CG2   . ILE   A 1 139 ? -8.404  -13.871 15.003  1.000 28.101 0 250 ILE   A CG2   1 ? 
ATOM   2324 C  CD1   . ILE   A 1 139 ? -11.331 -15.075 15.221  1.000 27.787 0 250 ILE   A CD1   1 ? 
ATOM   2325 O  OXT   . ILE   A 1 139 ? -8.414  -18.390 13.961  1.000 28.276 0 250 ILE   A OXT   1 ? 
ATOM   2326 H  H     . ILE   A 1 139 ? -7.965  -15.784 12.719  1.000 23.173 0 250 ILE   A H     1 c 
ATOM   2327 H  HA    . ILE   A 1 139 ? -6.842  -16.059 15.236  1.000 25.133 0 250 ILE   A HA    1 c 
ATOM   2328 H  HB    . ILE   A 1 139 ? -8.873  -15.493 16.159  1.000 26.103 0 250 ILE   A HB    1 c 
ATOM   2329 H  HG12  . ILE   A 1 139 ? -10.100 -15.379 13.610  1.000 26.450 0 250 ILE   A HG12  1 c 
ATOM   2330 H  HG13  . ILE   A 1 139 ? -10.230 -16.656 14.529  1.000 26.614 0 250 ILE   A HG13  1 c 
ATOM   2331 H  HG21  . ILE   A 1 139 ? -9.121  -13.307 15.336  1.000 27.692 0 250 ILE   A HG21  1 c 
ATOM   2332 H  HG22  . ILE   A 1 139 ? -8.266  -13.692 14.058  1.000 27.903 0 250 ILE   A HG22  1 c 
ATOM   2333 H  HG23  . ILE   A 1 139 ? -7.587  -13.674 15.491  1.000 27.741 0 250 ILE   A HG23  1 c 
ATOM   2334 H  HD11  . ILE   A 1 139 ? -11.379 -15.391 16.142  1.000 27.598 0 250 ILE   A HD11  1 c 
ATOM   2335 H  HD12  . ILE   A 1 139 ? -12.140 -15.342 14.744  1.000 27.556 0 250 ILE   A HD12  1 c 
ATOM   2336 H  HD13  . ILE   A 1 139 ? -11.259 -14.102 15.214  1.000 27.521 0 250 ILE   A HD13  1 c 
HETATM 2337 N  N1    . A1H1Y B 2 .   ? -21.192 10.709  -1.650  1.000 19.834 0 301 A1H1Y A N1    1 ? 
HETATM 2338 N  N3    . A1H1Y B 2 .   ? -13.419 8.202   -2.387  1.000 17.607 0 301 A1H1Y A N3    1 ? 
HETATM 2339 C  C4    . A1H1Y B 2 .   ? -13.408 8.638   -1.108  1.000 16.172 0 301 A1H1Y A C4    1 ? 
HETATM 2340 C  C5    . A1H1Y B 2 .   ? -12.160 8.859   -0.364  1.000 16.345 0 301 A1H1Y A C5    1 ? 
HETATM 2341 C  C6    . A1H1Y B 2 .   ? -19.887 10.609  -1.266  1.000 18.858 0 301 A1H1Y A C6    1 ? 
HETATM 2342 C  C7    . A1H1Y B 2 .   ? -9.797  9.156   -0.291  1.000 17.766 0 301 A1H1Y A C7    1 ? 
HETATM 2343 C  C8    . A1H1Y B 2 .   ? -10.943 8.995   -1.026  1.000 17.275 0 301 A1H1Y A C8    1 ? 
HETATM 2344 C  C10   . A1H1Y B 2 .   ? -9.819  9.170   1.089   1.000 17.394 0 301 A1H1Y A C10   1 ? 
HETATM 2345 C  C15   . A1H1Y B 2 .   ? -23.094 12.384  -1.698  1.000 20.901 0 301 A1H1Y A C15   1 ? 
HETATM 2346 C  C17   . A1H1Y B 2 .   ? -23.855 11.976  0.602   1.000 21.171 0 301 A1H1Y A C17   1 ? 
HETATM 2347 C  C20   . A1H1Y B 2 .   ? -22.441 8.660   -2.216  1.000 19.961 0 301 A1H1Y A C20   1 ? 
HETATM 2348 C  C21   . A1H1Y B 2 .   ? -22.982 7.829   -3.197  1.000 20.211 0 301 A1H1Y A C21   1 ? 
HETATM 2349 C  C22   . A1H1Y B 2 .   ? -22.855 8.106   -4.547  1.000 22.030 0 301 A1H1Y A C22   1 ? 
HETATM 2350 C  C24   . A1H1Y B 2 .   ? -21.628 10.117  -3.961  1.000 22.164 0 301 A1H1Y A C24   1 ? 
HETATM 2351 C  C1    . A1H1Y B 2 .   ? -16.527 11.709  -2.176  1.000 20.612 0 301 A1H1Y A C1    1 ? 
HETATM 2352 O  OP3   . A1H1Y B 2 .   ? -17.189 10.535  -2.609  1.000 19.063 0 301 A1H1Y A OP3   1 ? 
HETATM 2353 C  C2    . A1H1Y B 2 .   ? -17.588 9.608   -1.613  1.000 17.558 0 301 A1H1Y A C2    1 ? 
HETATM 2354 C  C3    . A1H1Y B 2 .   ? -16.897 8.285   -1.881  1.000 15.919 0 301 A1H1Y A C3    1 ? 
HETATM 2355 N  N2    . A1H1Y B 2 .   ? -15.446 8.396   -1.746  1.000 15.893 0 301 A1H1Y A N2    1 ? 
HETATM 2356 N  NAA   . A1H1Y B 2 .   ? -14.662 8.059   -2.781  1.000 17.432 0 301 A1H1Y A NAA   1 ? 
HETATM 2357 F  F1    . A1H1Y B 2 .   ? -8.609  9.302   -0.932  1.000 20.833 0 301 A1H1Y A F1    1 ? 
HETATM 2358 C  CAA   . A1H1Y B 2 .   ? -12.190 8.863   1.029   1.000 16.063 0 301 A1H1Y A CAA   1 ? 
HETATM 2359 C  C9    . A1H1Y B 2 .   ? -11.016 9.031   1.727   1.000 16.018 0 301 A1H1Y A C9    1 ? 
HETATM 2360 F  F2    . A1H1Y B 2 .   ? -11.039 9.037   3.086   1.000 17.479 0 301 A1H1Y A F2    1 ? 
HETATM 2361 F  F3    . A1H1Y B 2 .   ? -8.684  9.349   1.778   1.000 20.243 0 301 A1H1Y A F3    1 ? 
HETATM 2362 C  C11   . A1H1Y B 2 .   ? -14.702 8.748   -0.694  1.000 15.661 0 301 A1H1Y A C11   1 ? 
HETATM 2363 C  C12   . A1H1Y B 2 .   ? -19.098 9.392   -1.727  1.000 17.129 0 301 A1H1Y A C12   1 ? 
HETATM 2364 C  C14   . A1H1Y B 2 .   ? -22.062 11.617  -0.869  1.000 20.029 0 301 A1H1Y A C14   1 ? 
HETATM 2365 C  C16   . A1H1Y B 2 .   ? -24.072 12.876  -0.629  1.000 21.480 0 301 A1H1Y A C16   1 ? 
HETATM 2366 C  "C5'" . A1H1Y B 2 .   ? -22.922 10.863  0.122   1.000 19.529 0 301 A1H1Y A "C5'" 1 ? 
HETATM 2367 O  "O5'" . A1H1Y B 2 .   ? -22.186 10.385  1.176   1.000 19.319 0 301 A1H1Y A "O5'" 1 ? 
HETATM 2368 C  C19   . A1H1Y B 2 .   ? -21.755 9.819   -2.621  1.000 20.404 0 301 A1H1Y A C19   1 ? 
HETATM 2369 CL CL1   . A1H1Y B 2 .   ? -23.832 6.385   -2.712  1.000 20.914 0 301 A1H1Y A CL1   1 ? 
HETATM 2370 C  C23   . A1H1Y B 2 .   ? -22.176 9.255   -4.901  1.000 24.743 0 301 A1H1Y A C23   1 ? 
HETATM 2371 CL CL2   . A1H1Y B 2 .   ? -21.998 9.611   -6.575  1.000 31.601 0 301 A1H1Y A CL2   1 ? 
HETATM 2372 O  O6    . A1H1Y B 2 .   ? -19.380 11.404  -0.482  1.000 19.814 0 301 A1H1Y A O6    1 ? 
HETATM 2373 O  "O2'" . A1H1Y B 2 .   ? -19.550 8.342   -0.858  1.000 16.187 0 301 A1H1Y A "O2'" 1 ? 
HETATM 2374 C  "C2'" . A1H1Y B 2 .   ? -18.936 7.079   -1.117  1.000 15.414 0 301 A1H1Y A "C2'" 1 ? 
HETATM 2375 C  "C3'" . A1H1Y B 2 .   ? -19.537 6.088   -0.150  1.000 15.047 0 301 A1H1Y A "C3'" 1 ? 
HETATM 2376 O  "O3'" . A1H1Y B 2 .   ? -20.897 5.914   -0.404  1.000 15.998 0 301 A1H1Y A "O3'" 1 ? 
HETATM 2377 C  "C1'" . A1H1Y B 2 .   ? -17.436 7.203   -0.944  1.000 15.151 0 301 A1H1Y A "C1'" 1 ? 
HETATM 2378 O  "O4'" . A1H1Y B 2 .   ? -17.117 7.512   0.426   1.000 15.429 0 301 A1H1Y A "O4'" 1 ? 
HETATM 2379 H  H6    . A1H1Y B 2 .   ? -10.894 8.979   -2.109  1.000 17.170 0 301 A1H1Y A H6    1 c 
HETATM 2380 H  H12   . A1H1Y B 2 .   ? -23.610 11.741  -2.416  1.000 20.864 0 301 A1H1Y A H12   1 c 
HETATM 2381 H  H11   . A1H1Y B 2 .   ? -22.634 13.223  -2.227  1.000 20.890 0 301 A1H1Y A H11   1 c 
HETATM 2382 H  H15   . A1H1Y B 2 .   ? -24.805 11.562  0.951   1.000 20.927 0 301 A1H1Y A H15   1 c 
HETATM 2383 H  H16   . A1H1Y B 2 .   ? -23.395 12.542  1.416   1.000 20.952 0 301 A1H1Y A H16   1 c 
HETATM 2384 H  H19   . A1H1Y B 2 .   ? -22.560 8.415   -1.171  1.000 19.951 0 301 A1H1Y A H19   1 c 
HETATM 2385 H  H20   . A1H1Y B 2 .   ? -23.273 7.446   -5.298  1.000 21.873 0 301 A1H1Y A H20   1 c 
HETATM 2386 H  H21   . A1H1Y B 2 .   ? -21.096 11.007  -4.277  1.000 22.397 0 301 A1H1Y A H21   1 c 
HETATM 2387 H  H2    . A1H1Y B 2 .   ? -16.256 12.308  -3.049  1.000 20.332 0 301 A1H1Y A H2    1 c 
HETATM 2388 H  H3    . A1H1Y B 2 .   ? -15.626 11.427  -1.627  1.000 20.345 0 301 A1H1Y A H3    1 c 
HETATM 2389 H  H1    . A1H1Y B 2 .   ? -17.192 12.285  -1.528  1.000 20.325 0 301 A1H1Y A H1    1 c 
HETATM 2390 H  H4    . A1H1Y B 2 .   ? -17.311 9.984   -0.625  1.000 17.512 0 301 A1H1Y A H4    1 c 
HETATM 2391 H  H5    . A1H1Y B 2 .   ? -17.083 7.985   -2.914  1.000 15.830 0 301 A1H1Y A H5    1 c 
HETATM 2392 H  H7    . A1H1Y B 2 .   ? -13.123 8.738   1.566   1.000 16.085 0 301 A1H1Y A H7    1 c 
HETATM 2393 H  H8    . A1H1Y B 2 .   ? -15.141 9.029   0.250   1.000 15.889 0 301 A1H1Y A H8    1 c 
HETATM 2394 H  H9    . A1H1Y B 2 .   ? -19.344 9.131   -2.758  1.000 17.137 0 301 A1H1Y A H9    1 c 
HETATM 2395 H  H10   . A1H1Y B 2 .   ? -21.440 12.344  -0.341  1.000 20.001 0 301 A1H1Y A H10   1 c 
HETATM 2396 H  H13   . A1H1Y B 2 .   ? -25.102 12.793  -0.986  1.000 21.291 0 301 A1H1Y A H13   1 c 
HETATM 2397 H  H14   . A1H1Y B 2 .   ? -23.871 13.920  -0.379  1.000 21.290 0 301 A1H1Y A H14   1 c 
HETATM 2398 H  H17   . A1H1Y B 2 .   ? -23.647 10.103  -0.149  1.000 19.713 0 301 A1H1Y A H17   1 c 
HETATM 2399 H  H18   . A1H1Y B 2 .   ? -21.512 9.800   0.808   0.000 18.671 0 301 A1H1Y A H18   1 c 
HETATM 2400 H  H22   . A1H1Y B 2 .   ? -19.172 6.789   -2.144  1.000 15.314 0 301 A1H1Y A H22   1 c 
HETATM 2401 H  H23   . A1H1Y B 2 .   ? -19.427 6.436   0.880   1.000 15.281 0 301 A1H1Y A H23   1 c 
HETATM 2402 H  H24   . A1H1Y B 2 .   ? -19.041 5.118   -0.243  1.000 15.148 0 301 A1H1Y A H24   1 c 
HETATM 2403 H  H25   . A1H1Y B 2 .   ? -21.312 6.785   -0.281  0.000 16.152 0 301 A1H1Y A H25   1 c 
HETATM 2404 H  H26   . A1H1Y B 2 .   ? -16.968 6.246   -1.183  1.000 15.275 0 301 A1H1Y A H26   1 c 
HETATM 2405 H  H27   . A1H1Y B 2 .   ? -17.549 8.357   0.622   0.000 14.810 0 301 A1H1Y A H27   1 c 
HETATM 2406 S  S     . SCN   C 3 .   ? -15.153 11.103  2.149   1.000 21.098 0 302 SCN   A S     1 ? 
HETATM 2407 C  C     . SCN   C 3 .   ? -14.406 11.937  1.038   1.000 23.974 0 302 SCN   A C     1 ? 
HETATM 2408 N  N     . SCN   C 3 .   ? -13.881 12.516  0.194   1.000 26.106 0 302 SCN   A N     1 ? 
HETATM 2409 S  S     . SCN   D 3 .   ? -4.280  9.605   0.732   1.000 29.765 0 303 SCN   A S     1 ? 
HETATM 2410 C  C     . SCN   D 3 .   ? -5.277  10.843  0.722   1.000 30.799 0 303 SCN   A C     1 ? 
HETATM 2411 N  N     . SCN   D 3 .   ? -5.985  11.765  0.685   1.000 30.194 0 303 SCN   A N     1 ? 
HETATM 2412 O  O     . HOH   E 4 .   ? -14.192 9.349   19.731  1.000 33.553 0 401 HOH   A O     1 ? 
HETATM 2413 O  O     . HOH   E 4 .   ? -10.079 16.652  12.770  1.000 34.154 0 402 HOH   A O     1 ? 
HETATM 2414 O  O     . HOH   E 4 .   ? 2.083   7.617   7.193   1.000 32.708 0 403 HOH   A O     1 ? 
HETATM 2415 O  O     . HOH   E 4 .   ? -10.984 14.796  17.927  1.000 34.708 0 404 HOH   A O     1 ? 
HETATM 2416 O  O     . HOH   E 4 .   ? -19.048 20.434  7.578   1.000 37.536 0 405 HOH   A O     1 ? 
HETATM 2417 O  O     . HOH   E 4 .   ? -25.874 22.446  6.467   1.000 37.802 0 406 HOH   A O     1 ? 
HETATM 2418 O  O     . HOH   E 4 .   ? -8.390  3.577   0.641   1.000 17.562 0 407 HOH   A O     1 ? 
HETATM 2419 O  O     . HOH   E 4 .   ? -11.479 5.528   -1.061  1.000 28.504 0 408 HOH   A O     1 ? 
HETATM 2420 O  O     . HOH   E 4 .   ? -20.721 11.170  15.720  1.000 23.493 0 409 HOH   A O     1 ? 
HETATM 2421 O  O     . HOH   E 4 .   ? -24.410 21.001  12.491  1.000 40.033 0 410 HOH   A O     1 ? 
HETATM 2422 O  O     . HOH   E 4 .   ? -9.962  0.595   -8.580  1.000 21.715 0 411 HOH   A O     1 ? 
HETATM 2423 O  O     . HOH   E 4 .   ? -10.485 -6.630  20.679  1.000 23.534 0 412 HOH   A O     1 ? 
HETATM 2424 O  O     . HOH   E 4 .   ? -13.555 14.825  21.045  1.000 21.620 0 413 HOH   A O     1 ? 
HETATM 2425 O  O     . HOH   E 4 .   ? -4.272  -8.955  12.739  1.000 24.036 0 414 HOH   A O     1 ? 
HETATM 2426 O  O     . HOH   E 4 .   ? -24.800 -4.841  6.654   1.000 19.598 0 415 HOH   A O     1 ? 
HETATM 2427 O  O     . HOH   E 4 .   ? -18.810 -5.942  -11.122 1.000 25.119 0 416 HOH   A O     1 ? 
HETATM 2428 O  O     . HOH   E 4 .   ? -17.824 12.832  1.167   1.000 39.896 0 417 HOH   A O     1 ? 
HETATM 2429 O  O     . HOH   E 4 .   ? -2.656  -17.734 13.547  1.000 43.803 0 418 HOH   A O     1 ? 
HETATM 2430 O  O     . HOH   E 4 .   ? -17.374 -7.630  -7.244  1.000 20.301 0 419 HOH   A O     1 ? 
HETATM 2431 O  O     . HOH   E 4 .   ? -18.723 -1.653  21.414  1.000 38.413 0 420 HOH   A O     1 ? 
HETATM 2432 O  O     . HOH   E 4 .   ? -1.611  -8.908  12.214  1.000 27.436 0 421 HOH   A O     1 ? 
HETATM 2433 O  O     . HOH   E 4 .   ? -3.186  -8.889  -4.614  1.000 24.083 0 422 HOH   A O     1 ? 
HETATM 2434 O  O     . HOH   E 4 .   ? -23.126 11.546  12.464  1.000 26.319 0 423 HOH   A O     1 ? 
HETATM 2435 O  O     . HOH   E 4 .   ? -31.038 3.355   0.835   1.000 32.072 0 424 HOH   A O     1 ? 
HETATM 2436 O  O     . HOH   E 4 .   ? -23.399 14.370  8.592   1.000 27.076 0 425 HOH   A O     1 ? 
HETATM 2437 O  O     . HOH   E 4 .   ? 0.889   8.305   18.003  1.000 31.552 0 426 HOH   A O     1 ? 
HETATM 2438 O  O     . HOH   E 4 .   ? 0.418   5.114   15.497  1.000 27.852 0 427 HOH   A O     1 ? 
HETATM 2439 O  O     . HOH   E 4 .   ? -24.977 -8.720  -3.355  1.000 42.917 0 428 HOH   A O     1 ? 
HETATM 2440 O  O     . HOH   E 4 .   ? -23.953 0.327   12.350  1.000 36.298 0 429 HOH   A O     1 ? 
HETATM 2441 O  O     . HOH   E 4 .   ? -14.495 -14.762 -11.007 1.000 32.588 0 430 HOH   A O     1 ? 
HETATM 2442 O  O     . HOH   E 4 .   ? -7.424  13.046  2.647   1.000 25.546 0 431 HOH   A O     1 ? 
HETATM 2443 O  O     . HOH   E 4 .   ? -25.021 8.522   11.102  1.000 29.294 0 432 HOH   A O     1 ? 
HETATM 2444 O  O     . HOH   E 4 .   ? -3.632  14.175  4.659   1.000 41.741 0 433 HOH   A O     1 ? 
HETATM 2445 O  O     . HOH   E 4 .   ? -11.701 1.470   23.392  1.000 40.174 0 434 HOH   A O     1 ? 
HETATM 2446 O  O     . HOH   E 4 .   ? 3.580   5.902   12.389  1.000 44.478 0 435 HOH   A O     1 ? 
HETATM 2447 O  O     . HOH   E 4 .   ? -13.495 5.025   -5.436  1.000 30.491 0 436 HOH   A O     1 ? 
HETATM 2448 O  O     . HOH   E 4 .   ? -19.239 -6.818  0.162   1.000 17.223 0 437 HOH   A O     1 ? 
HETATM 2449 O  O     . HOH   E 4 .   ? -23.008 -4.316  15.024  1.000 33.930 0 438 HOH   A O     1 ? 
HETATM 2450 O  O     . HOH   E 4 .   ? -17.115 -10.766 -11.807 1.000 35.385 0 439 HOH   A O     1 ? 
HETATM 2451 O  O     . HOH   E 4 .   ? -25.053 -10.473 2.679   1.000 27.154 0 440 HOH   A O     1 ? 
HETATM 2452 O  O     . HOH   E 4 .   ? -21.307 2.747   8.794   1.000 23.232 0 441 HOH   A O     1 ? 
HETATM 2453 O  O     . HOH   E 4 .   ? -11.979 -17.492 0.862   1.000 27.009 0 442 HOH   A O     1 ? 
HETATM 2454 O  O     . HOH   E 4 .   ? -24.045 -4.926  3.249   1.000 18.021 0 443 HOH   A O     1 ? 
HETATM 2455 O  O     . HOH   E 4 .   ? -25.754 -13.839 8.693   1.000 27.837 0 444 HOH   A O     1 ? 
HETATM 2456 O  O     . HOH   E 4 .   ? -16.084 -6.591  16.648  1.000 34.474 0 445 HOH   A O     1 ? 
HETATM 2457 O  O     . HOH   E 4 .   ? -15.539 -2.186  -11.651 1.000 18.217 0 446 HOH   A O     1 ? 
HETATM 2458 O  O     . HOH   E 4 .   ? 1.984   6.329   -1.392  1.000 39.863 0 447 HOH   A O     1 ? 
HETATM 2459 O  O     . HOH   E 4 .   ? -11.988 -20.265 7.676   1.000 39.185 0 448 HOH   A O     1 ? 
HETATM 2460 O  O     . HOH   E 4 .   ? -15.380 14.942  6.780   1.000 22.690 0 449 HOH   A O     1 ? 
HETATM 2461 O  O     . HOH   E 4 .   ? -22.698 -1.403  8.327   1.000 20.574 0 450 HOH   A O     1 ? 
HETATM 2462 O  O     . HOH   E 4 .   ? -7.664  -4.224  -6.861  1.000 27.217 0 451 HOH   A O     1 ? 
HETATM 2463 O  O     . HOH   E 4 .   ? -10.830 12.234  -3.241  1.000 29.773 0 452 HOH   A O     1 ? 
HETATM 2464 O  O     . HOH   E 4 .   ? -16.425 -0.593  -8.909  1.000 16.955 0 453 HOH   A O     1 ? 
HETATM 2465 O  O     . HOH   E 4 .   ? -23.342 -1.313  -10.362 1.000 42.615 0 454 HOH   A O     1 ? 
HETATM 2466 O  O     . HOH   E 4 .   ? -4.672  -12.614 1.650   1.000 26.944 0 455 HOH   A O     1 ? 
HETATM 2467 O  O     . HOH   E 4 .   ? -17.649 -8.833  0.746   1.000 16.298 0 456 HOH   A O     1 ? 
HETATM 2468 O  O     . HOH   E 4 .   ? -3.733  17.470  9.778   1.000 41.898 0 457 HOH   A O     1 ? 
HETATM 2469 O  O     . HOH   E 4 .   ? -10.183 8.613   22.850  1.000 21.224 0 458 HOH   A O     1 ? 
HETATM 2470 O  O     . HOH   E 4 .   ? -22.613 20.438  14.566  1.000 28.834 0 459 HOH   A O     1 ? 
HETATM 2471 O  O     . HOH   E 4 .   ? -0.747  -4.163  11.915  1.000 19.646 0 460 HOH   A O     1 ? 
HETATM 2472 O  O     . HOH   E 4 .   ? -20.879 14.309  2.225   1.000 40.452 0 461 HOH   A O     1 ? 
HETATM 2473 O  O     . HOH   E 4 .   ? -4.039  -6.239  18.794  1.000 33.840 0 462 HOH   A O     1 ? 
HETATM 2474 O  O     . HOH   E 4 .   ? -15.522 7.387   -5.596  1.000 34.861 0 463 HOH   A O     1 ? 
HETATM 2475 O  O     . HOH   E 4 .   ? 8.341   1.339   9.070   1.000 40.520 0 464 HOH   A O     1 ? 
HETATM 2476 O  O     . HOH   E 4 .   ? -9.702  -3.071  17.652  1.000 15.874 0 465 HOH   A O     1 ? 
HETATM 2477 O  O     . HOH   E 4 .   ? -20.072 19.108  4.871   1.000 27.741 0 466 HOH   A O     1 ? 
HETATM 2478 O  O     . HOH   E 4 .   ? -11.515 4.556   21.325  1.000 36.423 0 467 HOH   A O     1 ? 
HETATM 2479 O  O     . HOH   E 4 .   ? 5.020   -1.376  9.395   1.000 36.983 0 468 HOH   A O     1 ? 
HETATM 2480 O  O     . HOH   E 4 .   ? -12.772 3.949   -3.193  1.000 29.772 0 469 HOH   A O     1 ? 
HETATM 2481 O  O     . HOH   E 4 .   ? -24.140 5.796   -7.158  1.000 35.122 0 470 HOH   A O     1 ? 
HETATM 2482 O  O     . HOH   E 4 .   ? -9.005  6.408   -1.765  1.000 33.909 0 471 HOH   A O     1 ? 
HETATM 2483 O  O     . HOH   E 4 .   ? -8.134  8.152   16.535  1.000 20.169 0 472 HOH   A O     1 ? 
HETATM 2484 O  O     . HOH   E 4 .   ? -26.471 -1.332  8.641   1.000 36.127 0 473 HOH   A O     1 ? 
HETATM 2485 O  O     . HOH   E 4 .   ? -9.714  7.602   20.027  1.000 22.812 0 474 HOH   A O     1 ? 
HETATM 2486 O  O     . HOH   E 4 .   ? -12.896 -2.243  24.896  1.000 55.758 0 475 HOH   A O     1 ? 
HETATM 2487 O  O     . HOH   E 4 .   ? -12.241 14.945  15.602  1.000 35.817 0 476 HOH   A O     1 ? 
HETATM 2488 O  O     . HOH   E 4 .   ? -19.634 14.193  15.814  1.000 33.437 0 477 HOH   A O     1 ? 
HETATM 2489 O  O     . HOH   E 4 .   ? -22.698 -1.055  -5.372  1.000 24.772 0 478 HOH   A O     1 ? 
HETATM 2490 O  O     . HOH   E 4 .   ? -16.574 -4.677  22.205  1.000 31.334 0 479 HOH   A O     1 ? 
HETATM 2491 O  O     . HOH   E 4 .   ? -8.245  -7.094  -5.977  1.000 22.861 0 480 HOH   A O     1 ? 
HETATM 2492 O  O     . HOH   E 4 .   ? -12.769 1.698   -7.596  1.000 37.634 0 481 HOH   A O     1 ? 
HETATM 2493 O  O     . HOH   E 4 .   ? -1.315  3.104   16.587  1.000 23.738 0 482 HOH   A O     1 ? 
HETATM 2494 O  O     . HOH   E 4 .   ? -17.106 20.807  12.363  1.000 37.157 0 483 HOH   A O     1 ? 
HETATM 2495 O  O     . HOH   E 4 .   ? -25.369 10.264  8.894   1.000 27.642 0 484 HOH   A O     1 ? 
HETATM 2496 O  O     . HOH   E 4 .   ? -26.545 -1.252  -2.912  1.000 25.396 0 485 HOH   A O     1 ? 
HETATM 2497 O  O     . HOH   E 4 .   ? -26.891 -9.869  -0.795  1.000 29.466 0 486 HOH   A O     1 ? 
HETATM 2498 O  O     . HOH   E 4 .   ? -18.223 10.215  -5.438  1.000 51.308 0 487 HOH   A O     1 ? 
HETATM 2499 O  O     . HOH   E 4 .   ? -23.633 -2.785  12.598  1.000 23.989 0 488 HOH   A O     1 ? 
HETATM 2500 O  O     . HOH   E 4 .   ? -21.592 6.331   -7.788  1.000 27.098 0 489 HOH   A O     1 ? 
HETATM 2501 O  O     . HOH   E 4 .   ? 0.385   -9.585  7.192   1.000 37.822 0 490 HOH   A O     1 ? 
HETATM 2502 O  O     . HOH   E 4 .   ? -17.843 5.257   -14.217 1.000 34.008 0 491 HOH   A O     1 ? 
HETATM 2503 O  O     . HOH   E 4 .   ? -18.762 -17.919 3.896   1.000 24.940 0 492 HOH   A O     1 ? 
HETATM 2504 O  O     . HOH   E 4 .   ? -1.968  -16.352 10.073  1.000 37.562 0 493 HOH   A O     1 ? 
HETATM 2505 O  O     . HOH   E 4 .   ? 3.077   -3.109  8.143   1.000 27.563 0 494 HOH   A O     1 ? 
HETATM 2506 O  O     . HOH   E 4 .   ? -25.724 15.937  8.437   1.000 38.148 0 495 HOH   A O     1 ? 
HETATM 2507 O  O     . HOH   E 4 .   ? -18.761 11.926  17.700  1.000 35.182 0 496 HOH   A O     1 ? 
HETATM 2508 O  O     . HOH   E 4 .   ? -13.639 -6.941  14.845  1.000 28.906 0 497 HOH   A O     1 ? 
HETATM 2509 O  O     . HOH   E 4 .   ? -19.223 -11.478 -6.190  1.000 28.467 0 498 HOH   A O     1 ? 
HETATM 2510 O  O     . HOH   E 4 .   ? -13.430 2.669   20.882  1.000 32.157 0 499 HOH   A O     1 ? 
HETATM 2511 O  O     . HOH   E 4 .   ? -25.211 -5.527  9.294   1.000 33.309 0 500 HOH   A O     1 ? 
HETATM 2512 O  O     . HOH   E 4 .   ? -24.043 -2.407  -3.506  1.000 18.852 0 501 HOH   A O     1 ? 
HETATM 2513 O  O     . HOH   E 4 .   ? -14.879 -17.208 -1.779  1.000 27.094 0 502 HOH   A O     1 ? 
HETATM 2514 O  O     . HOH   E 4 .   ? -9.547  -20.092 -2.090  1.000 43.928 0 503 HOH   A O     1 ? 
HETATM 2515 O  O     . HOH   E 4 .   ? -15.530 -20.001 11.129  1.000 33.437 0 504 HOH   A O     1 ? 
HETATM 2516 O  O     . HOH   E 4 .   ? -24.294 -0.265  -7.500  1.000 39.735 0 505 HOH   A O     1 ? 
HETATM 2517 O  O     . HOH   E 4 .   ? -23.108 1.121   9.572   1.000 32.222 0 506 HOH   A O     1 ? 
HETATM 2518 O  O     . HOH   E 4 .   ? -17.170 15.085  4.628   1.000 39.344 0 507 HOH   A O     1 ? 
HETATM 2519 O  O     . HOH   E 4 .   ? 5.821   8.223   4.165   1.000 47.552 0 508 HOH   A O     1 ? 
HETATM 2520 O  O     . HOH   E 4 .   ? -4.516  -8.642  -7.169  1.000 33.857 0 509 HOH   A O     1 ? 
HETATM 2521 O  O     . HOH   E 4 .   ? -27.300 -5.427  -0.167  1.000 38.042 0 510 HOH   A O     1 ? 
HETATM 2522 O  O     . HOH   E 4 .   ? -27.752 -2.800  -0.721  1.000 47.151 0 511 HOH   A O     1 ? 
HETATM 2523 O  O     . HOH   E 4 .   ? -26.305 -6.205  2.395   1.000 24.695 0 512 HOH   A O     1 ? 
HETATM 2524 O  O     . HOH   E 4 .   ? -19.514 7.867   -8.108  1.000 50.540 0 513 HOH   A O     1 ? 
HETATM 2525 O  O     . HOH   E 4 .   ? -24.429 12.519  10.283  1.000 25.756 0 514 HOH   A O     1 ? 
HETATM 2526 O  O     . HOH   E 4 .   ? -20.246 -8.749  -6.934  1.000 27.953 0 515 HOH   A O     1 ? 
HETATM 2527 O  O     . HOH   E 4 .   ? -17.324 -10.998 17.798  1.000 40.535 0 516 HOH   A O     1 ? 
HETATM 2528 O  O     . HOH   E 4 .   ? -6.135  8.306   -2.654  1.000 55.150 0 517 HOH   A O     1 ? 
HETATM 2529 O  O     . HOH   E 4 .   ? -14.820 -18.178 0.754   1.000 49.615 0 518 HOH   A O     1 ? 
HETATM 2530 O  O     . HOH   E 4 .   ? -16.174 -18.605 3.255   1.000 27.193 0 519 HOH   A O     1 ? 
HETATM 2531 O  O     . HOH   E 4 .   ? -25.066 -4.845  -3.876  1.000 33.468 0 520 HOH   A O     1 ? 
HETATM 2532 O  O     . HOH   E 4 .   ? -22.209 12.649  -7.555  1.000 41.859 0 521 HOH   A 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     . PRO   A 2   ? 0.45142803 0.67613238 0.17571355 0.01087680  0.06725005  -0.05237574 113 PRO   A N     
2    C  CA    . PRO   A 2   ? 0.39411607 0.65159392 0.13398971 -0.00848872 0.07982947  -0.03813197 113 PRO   A CA    
3    C  C     . PRO   A 2   ? 0.32446876 0.56419414 0.12849782 -0.00761703 0.06122088  -0.05950975 113 PRO   A C     
4    O  O     . PRO   A 2   ? 0.31317735 0.62407911 0.08811574 -0.01339380 0.03768456  -0.03086294 113 PRO   A O     
5    C  CB    . PRO   A 2   ? 0.41439378 0.64234310 0.18553013 -0.01048700 0.10937321  -0.04468365 113 PRO   A CB    
6    C  CG    . PRO   A 2   ? 0.44843799 0.67561382 0.21409753 0.00158524  0.06722051  -0.04409695 113 PRO   A CG    
7    C  CD    . PRO   A 2   ? 0.45137239 0.68075454 0.19124584 -0.00210924 0.06635883  -0.04856678 113 PRO   A CD    
8    H  H     . PRO   A 2   ? 0.43885973 0.67247099 0.16989325 0.00513228  0.06978247  -0.04903582 113 PRO   A H     
9    H  HA    . PRO   A 2   ? 0.39104706 0.63442785 0.14623296 -0.00606385 0.07656986  -0.04367676 113 PRO   A HA    
10   H  HB2   . PRO   A 2   ? 0.41099277 0.64784360 0.17900150 -0.00822533 0.10089830  -0.04217340 113 PRO   A HB2   
11   H  HB3   . PRO   A 2   ? 0.41635936 0.64762306 0.18064985 -0.00757166 0.09845752  -0.04243707 113 PRO   A HB3   
12   H  HG2   . PRO   A 2   ? 0.44373551 0.67186445 0.20637685 -0.00064816 0.07491639  -0.04393894 113 PRO   A HG2   
13   H  HG3   . PRO   A 2   ? 0.44739684 0.67239273 0.20953889 -0.00363669 0.07233709  -0.04340498 113 PRO   A HG3   
14   H  HD2   . PRO   A 2   ? 0.45190361 0.67963701 0.19281891 0.00023158  0.06698946  -0.04799277 113 PRO   A HD2   
15   H  HD3   . PRO   A 2   ? 0.45078427 0.67941523 0.19274800 0.00037961  0.06701558  -0.04772258 113 PRO   A HD3   
16   N  N     . LEU   A 3   ? 0.31775153 0.46600354 0.09583531 -0.01563870 0.06578614  -0.06563731 114 LEU   A N     
17   C  CA    . LEU   A 3   ? 0.32885325 0.43125728 0.09992263 -0.01403313 0.05688539  -0.06583442 114 LEU   A CA    
18   C  C     . LEU   A 3   ? 0.34172904 0.43657425 0.13244049 -0.02926899 0.05698432  -0.04583496 114 LEU   A C     
19   O  O     . LEU   A 3   ? 0.43063059 0.43104765 0.20264620 0.00760976  0.08003557  -0.03787328 114 LEU   A O     
20   C  CB    . LEU   A 3   ? 0.33737174 0.42459017 0.12987505 -0.01874294 0.05883978  -0.05107204 114 LEU   A CB    
21   C  CG    . LEU   A 3   ? 0.36382729 0.42329654 0.15182212 -0.01275112 0.06663956  -0.05937585 114 LEU   A CG    
22   C  CD1   . LEU   A 3   ? 0.37174463 0.43012491 0.14829764 -0.01740456 0.07246341  -0.04791404 114 LEU   A CD1   
23   C  CD2   . LEU   A 3   ? 0.37443432 0.44635653 0.21533166 -0.00679217 0.07241724  -0.05278008 114 LEU   A CD2   
24   H  H     . LEU   A 3   ? 0.31805629 0.47488564 0.10219326 -0.01254786 0.06601438  -0.06430954 114 LEU   A H     
25   H  HA    . LEU   A 3   ? 0.32830742 0.43797186 0.10908058 -0.01645952 0.05933935  -0.06025149 114 LEU   A HA    
26   H  HB2   . LEU   A 3   ? 0.33938059 0.42518958 0.12838824 -0.01688258 0.05989756  -0.05494402 114 LEU   A HB2   
27   H  HB3   . LEU   A 3   ? 0.33964604 0.42581061 0.13117878 -0.01677103 0.06033253  -0.05483739 114 LEU   A HB3   
28   H  HG    . LEU   A 3   ? 0.36107323 0.42639473 0.15174899 -0.01307029 0.06583364  -0.05646402 114 LEU   A HG    
29   H  HD11  . LEU   A 3   ? 0.37062085 0.42784819 0.15063161 -0.01679555 0.07083140  -0.05078550 114 LEU   A HD11  
30   H  HD12  . LEU   A 3   ? 0.36978984 0.42739674 0.15083283 -0.01633148 0.07093845  -0.05109489 114 LEU   A HD12  
31   H  HD13  . LEU   A 3   ? 0.36982018 0.42751631 0.15093198 -0.01637575 0.07083213  -0.05108198 114 LEU   A HD13  
32   H  HD21  . LEU   A 3   ? 0.37254047 0.44257638 0.19933808 -0.00645358 0.07272024  -0.05410306 114 LEU   A HD21  
33   H  HD22  . LEU   A 3   ? 0.37199879 0.44209319 0.21046139 -0.00727856 0.07371160  -0.05190691 114 LEU   A HD22  
34   H  HD23  . LEU   A 3   ? 0.37205285 0.44307482 0.20088114 -0.00799504 0.07294741  -0.05517086 114 LEU   A HD23  
35   N  N     . ILE   A 4   ? 0.33132052 0.46576053 0.13236766 -0.03378493 0.03419262  -0.02290053 115 ILE   A N     
36   C  CA    . ILE   A 4   ? 0.34093606 0.45936430 0.19763097 -0.03047457 0.02639445  -0.01265948 115 ILE   A CA    
37   C  C     . ILE   A 4   ? 0.34294826 0.43057480 0.14061235 -0.02552669 0.01957668  -0.01688410 115 ILE   A C     
38   O  O     . ILE   A 4   ? 0.35806820 0.45780563 0.19025543 -0.01791648 -0.01566302 -0.04850151 115 ILE   A O     
39   C  CB    . ILE   A 4   ? 0.35678929 0.47553465 0.23247130 -0.03205970 0.04856639  -0.01187434 115 ILE   A CB    
40   H  H     . ILE   A 4   ? 0.33635089 0.46074152 0.14455998 -0.03261065 0.03794343  -0.02507410 115 ILE   A H     
41   H  HA    . ILE   A 4   ? 0.34259486 0.46205747 0.18315391 -0.03006895 0.03095427  -0.01197033 115 ILE   A HA    
42   H  HB    . ILE   A 4   ? 0.37995443 0.37995443 0.37995443 0.00000000  0.00000000  0.00000000  115 ILE   A HB    
43   N  N     A VAL   A 5   ? 0.35699844 0.39138764 0.13187818 -0.02832305 0.01824621  0.00817304  116 VAL   A N     
44   N  N     B VAL   A 5   ? 0.36013001 0.39888126 0.13891047 -0.02539399 0.00982606  -0.00364298 116 VAL   A N     
45   C  CA    A VAL   A 5   ? 0.35022360 0.37194580 0.09152290 -0.02239992 0.03200292  0.01682942  116 VAL   A CA    
46   C  CA    B VAL   A 5   ? 0.35644904 0.38326943 0.09939165 -0.01902083 0.01801726  0.00068577  116 VAL   A CA    
47   C  C     A VAL   A 5   ? 0.35272503 0.36602020 0.08810491 -0.02553892 0.03037959  0.01274278  116 VAL   A C     
48   C  C     B VAL   A 5   ? 0.35618633 0.37282667 0.10228930 -0.02450119 0.02141938  0.00285814  116 VAL   A C     
49   O  O     A VAL   A 5   ? 0.36403435 0.37169814 0.10376431 -0.03101906 0.04670488  0.02321452  116 VAL   A O     
50   O  O     B VAL   A 5   ? 0.36429203 0.37814131 0.13862629 -0.03117113 0.02982838  0.01570001  116 VAL   A O     
51   C  CB    A VAL   A 5   ? 0.35804933 0.37121940 0.09880414 -0.01656793 0.04374046  0.02967968  116 VAL   A CB    
52   C  CB    B VAL   A 5   ? 0.36908051 0.39129314 0.11490367 -0.01001760 0.02695471  -0.00076801 116 VAL   A CB    
53   C  CG1   A VAL   A 5   ? 0.35265362 0.36194378 0.11038098 -0.02242179 0.04134622  0.03100033  116 VAL   A CG1   
54   C  CG1   B VAL   A 5   ? 0.36907774 0.39233541 0.12362019 -0.01182894 0.02155529  0.00411766  116 VAL   A CG1   
55   C  CG2   A VAL   A 5   ? 0.35802552 0.38178182 0.10313519 -0.01170814 0.05263462  0.03763829  116 VAL   A CG2   
56   C  CG2   B VAL   A 5   ? 0.36651438 0.39630264 0.10832173 -0.00444560 0.02180501  0.00518724  116 VAL   A CG2   
57   H  HA    A VAL   A 5   ? 0.35210723 0.37319463 0.09837619 -0.02283074 0.03122084  0.01562817  116 VAL   A HA    
58   H  HA    B VAL   A 5   ? 0.35773388 0.38432443 0.10765641 -0.01940875 0.01892697  -0.00046767 116 VAL   A HA    
59   H  HB    A VAL   A 5   ? 0.35595131 0.37160033 0.09994975 -0.01727438 0.04303711  0.02960660  116 VAL   A HB    
60   H  HB    B VAL   A 5   ? 0.36778188 0.39123455 0.11207464 -0.01011781 0.02478482  0.00087478  116 VAL   A HB    
61   H  HG11  A VAL   A 5   ? 0.35337377 0.36252517 0.10797510 -0.02121456 0.04149764  0.02950579  116 VAL   A HG11  
62   H  HG11  B VAL   A 5   ? 0.36915737 0.39184105 0.12208468 -0.01151949 0.02200101  0.00247028  116 VAL   A HG11  
63   H  HG12  A VAL   A 5   ? 0.35427615 0.36345968 0.10886245 -0.02116790 0.04181412  0.03050361  116 VAL   A HG12  
64   H  HG12  B VAL   A 5   ? 0.36915520 0.39192256 0.12208565 -0.01157364 0.02200358  0.00245763  116 VAL   A HG12  
65   H  HG13  A VAL   A 5   ? 0.35418397 0.36367923 0.10924257 -0.02137947 0.04136948  0.03065708  116 VAL   A HG13  
66   H  HG13  B VAL   A 5   ? 0.36951050 0.39144754 0.12231337 -0.01171307 0.02125644  0.00235133  116 VAL   A HG13  
67   H  HG21  A VAL   A 5   ? 0.35818976 0.37934738 0.10165894 -0.01218825 0.05057945  0.03551120  116 VAL   A HG21  
68   H  HG21  B VAL   A 5   ? 0.36632091 0.39485061 0.11017383 -0.00503924 0.02266619  0.00410339  116 VAL   A HG21  
69   H  HG22  A VAL   A 5   ? 0.35858613 0.37964177 0.10189962 -0.01222344 0.05101671  0.03586733  116 VAL   A HG22  
70   H  HG22  B VAL   A 5   ? 0.36636865 0.39538118 0.10911535 -0.00495054 0.02194839  0.00450973  116 VAL   A HG22  
71   H  HG23  A VAL   A 5   ? 0.35836342 0.38062453 0.10192650 -0.01184108 0.05095294  0.03617382  116 VAL   A HG23  
72   H  HG23  B VAL   A 5   ? 0.36672533 0.39550444 0.11034349 -0.00482132 0.02279584  0.00423614  116 VAL   A HG23  
73   N  N     . PRO   A 6   ? 0.35277539 0.36942369 0.06647809 -0.02293646 0.03622133  0.01287031  117 PRO   A N     
74   C  CA    . PRO   A 6   ? 0.34008557 0.36291319 0.05884624 -0.02150926 0.02254424  -0.00733668 117 PRO   A CA    
75   C  C     . PRO   A 6   ? 0.30287087 0.36019310 0.05536878 -0.02936351 0.02979768  -0.03267590 117 PRO   A C     
76   O  O     . PRO   A 6   ? 0.30464762 0.38861653 0.07237610 -0.03657503 0.04259555  -0.02483449 117 PRO   A O     
77   C  CB    . PRO   A 6   ? 0.35817644 0.38708436 0.07753391 -0.01827084 0.01639964  -0.00016324 117 PRO   A CB    
78   C  CG    . PRO   A 6   ? 0.37618691 0.38874957 0.10418138 -0.02547640 0.01605040  0.01017529  117 PRO   A CG    
79   C  CD    . PRO   A 6   ? 0.38041854 0.38198918 0.04783056 -0.02499147 0.03267915  0.01237822  117 PRO   A CD    
80   H  HA    . PRO   A 6   ? 0.33715370 0.36569560 0.06400945 -0.02226637 0.02554108  -0.00726965 117 PRO   A HA    
81   H  HB2   . PRO   A 6   ? 0.35670546 0.38356429 0.07862407 -0.01974143 0.01812380  0.00094887  117 PRO   A HB2   
82   H  HB3   . PRO   A 6   ? 0.35727590 0.38254255 0.07850363 -0.02004357 0.01786912  0.00056536  117 PRO   A HB3   
83   H  HG2   . PRO   A 6   ? 0.37616956 0.38910836 0.08910650 -0.02634564 0.01690062  0.01110706  117 PRO   A HG2   
84   H  HG3   . PRO   A 6   ? 0.37527895 0.38841671 0.08812866 -0.02555591 0.01949818  0.00898094  117 PRO   A HG3   
85   H  HD2   . PRO   A 6   ? 0.37492228 0.38094139 0.06300432 -0.02446277 0.03109647  0.01226199  117 PRO   A HD2   
86   H  HD3   . PRO   A 6   ? 0.37506798 0.38152403 0.06324022 -0.02481446 0.03113983  0.01233387  117 PRO   A HD3   
87   N  N     . TYR   A 7   ? 0.29110351 0.34180567 0.05685131 -0.01807210 0.02788292  -0.03563014 118 TYR   A N     
88   C  CA    . TYR   A 7   ? 0.29645869 0.33485261 0.07505477 -0.01321653 0.03992862  -0.05489414 118 TYR   A CA    
89   C  C     . TYR   A 7   ? 0.29694259 0.33427912 0.06134539 -0.00853003 0.03728330  -0.06375865 118 TYR   A C     
90   O  O     . TYR   A 7   ? 0.28906316 0.33883467 0.13638501 -0.00317246 0.04015916  -0.07246855 118 TYR   A O     
91   C  CB    . TYR   A 7   ? 0.30993727 0.34312385 0.08842843 -0.00347065 0.02469438  -0.04438233 118 TYR   A CB    
92   C  CG    . TYR   A 7   ? 0.32548890 0.35746071 0.10247184 0.00644997  0.01816509  -0.05262634 118 TYR   A CG    
93   C  CD1   . TYR   A 7   ? 0.33587253 0.37342548 0.14974473 0.00470529  -0.00031333 -0.03491299 118 TYR   A CD1   
94   C  CD2   . TYR   A 7   ? 0.32974550 0.35833302 0.09389073 0.00379114  0.00169313  -0.06249499 118 TYR   A CD2   
95   C  CE1   . TYR   A 7   ? 0.34996116 0.38896134 0.19759093 0.01523315  -0.00390162 -0.03999715 118 TYR   A CE1   
96   C  CE2   . TYR   A 7   ? 0.35098109 0.37615910 0.12870286 0.01346201  0.00056321  -0.05217772 118 TYR   A CE2   
97   C  CZ    . TYR   A 7   ? 0.35712838 0.38776508 0.18814665 0.02258649  0.00041533  -0.03885754 118 TYR   A CZ    
98   O  OH    . TYR   A 7   ? 0.40939778 0.42348844 0.25283697 0.05243112  -0.00501524 -0.02556038 118 TYR   A OH    
99   H  H     . TYR   A 7   ? 0.29362264 0.34419379 0.06068493 -0.01909716 0.03097750  -0.03890913 118 TYR   A H     
100  H  HA    . TYR   A 7   ? 0.29590943 0.33745787 0.07055765 -0.01226302 0.03661257  -0.05133139 118 TYR   A HA    
101  H  HB2   . TYR   A 7   ? 0.30999947 0.34412000 0.08927670 -0.00345114 0.02640980  -0.04756327 118 TYR   A HB2   
102  H  HB3   . TYR   A 7   ? 0.31018367 0.34371862 0.08917250 -0.00347351 0.02614153  -0.04771401 118 TYR   A HB3   
103  H  HD1   . TYR   A 7   ? 0.33555800 0.37175736 0.14677413 0.00665423  0.00381627  -0.03896755 118 TYR   A HD1   
104  H  HD2   . TYR   A 7   ? 0.33095640 0.36120620 0.10470451 0.00613641  0.00490771  -0.05822071 118 TYR   A HD2   
105  H  HE1   . TYR   A 7   ? 0.34923780 0.38483271 0.18314067 0.01475559  -0.00227596 -0.03932186 118 TYR   A HE1   
106  H  HE2   . TYR   A 7   ? 0.34694666 0.37471265 0.13038658 0.01359691  0.00085475  -0.05189359 118 TYR   A HE2   
107  H  HH    . TYR   A 7   ? 0.41857043 0.41857043 0.41857043 0.00000000  0.00000000  0.00000000  118 TYR   A HH    
108  N  N     A ASN   A 8   ? 0.31665391 0.34720099 0.08961030 0.00409731  0.05085944  -0.06317849 119 ASN   A N     
109  N  N     B ASN   A 8   ? 0.30820197 0.34921455 0.06939451 -0.00913820 0.05745355  -0.06488736 119 ASN   A N     
110  C  CA    A ASN   A 8   ? 0.32711828 0.35696200 0.09304527 0.00894931  0.04028757  -0.07146975 119 ASN   A CA    
111  C  CA    B ASN   A 8   ? 0.31376347 0.35673967 0.07530995 -0.00437307 0.05014305  -0.08269171 119 ASN   A CA    
112  C  C     A ASN   A 8   ? 0.32319289 0.34536028 0.10256290 0.01592884  0.04465152  -0.07289419 119 ASN   A C     
113  C  C     B ASN   A 8   ? 0.31762037 0.34292027 0.07854383 0.00710469  0.04671365  -0.08990995 119 ASN   A C     
114  O  O     A ASN   A 8   ? 0.32865581 0.34351808 0.16455111 0.02286401  0.05397081  -0.05928762 119 ASN   A O     
115  O  O     B ASN   A 8   ? 0.32336485 0.34050244 0.11245283 0.00286901  0.03546678  -0.08938029 119 ASN   A O     
116  C  CB    A ASN   A 8   ? 0.35749650 0.38839880 0.09472696 0.01033223  0.03244801  -0.07513716 119 ASN   A CB    
117  C  CB    B ASN   A 8   ? 0.32719240 0.37713081 0.07767019 -0.00900372 0.05181465  -0.09251951 119 ASN   A CB    
118  C  CG    A ASN   A 8   ? 0.38582057 0.41818085 0.06403641 0.01022041  0.00829689  -0.06067170 119 ASN   A CG    
119  C  CG    B ASN   A 8   ? 0.35101560 0.39493656 0.06952364 -0.02028757 0.04022520  -0.09019302 119 ASN   A CG    
120  O  OD1   A ASN   A 8   ? 0.39512736 0.45516321 0.01527070 0.00389960  0.02966886  -0.05443155 119 ASN   A OD1   
121  O  OD1   B ASN   A 8   ? 0.35561660 0.43260992 0.15189017 -0.00852282 0.06160948  -0.07492796 119 ASN   A OD1   
122  N  ND2   A ASN   A 8   ? 0.40112138 0.43008748 0.10670215 0.01177956  -0.00965978 -0.03744660 119 ASN   A ND2   
123  N  ND2   B ASN   A 8   ? 0.35527849 0.39499027 0.02533353 -0.02196938 0.03936115  -0.07757216 119 ASN   A ND2   
124  H  H     A ASN   A 8   ? 0.31391239 0.34547290 0.08429191 0.00223886  0.04598416  -0.06471290 119 ASN   A H     
125  H  H     B ASN   A 8   ? 0.30605510 0.34706733 0.06827375 -0.00847806 0.05217930  -0.06768867 119 ASN   A H     
126  H  HA    A ASN   A 8   ? 0.32739452 0.35621235 0.09497135 0.00938388  0.04102408  -0.07030234 119 ASN   A HA    
127  H  HA    B ASN   A 8   ? 0.31401569 0.35534814 0.07589201 -0.00373323 0.05045672  -0.08140739 119 ASN   A HA    
128  H  HB2   A ASN   A 8   ? 0.35708928 0.38767645 0.08976433 0.01047904  0.03017322  -0.07207072 119 ASN   A HB2   
129  H  HB2   B ASN   A 8   ? 0.32853326 0.37705156 0.07582349 -0.01052983 0.05012134  -0.09062885 119 ASN   A HB2   
130  H  HB3   A ASN   A 8   ? 0.35665041 0.38741106 0.08957995 0.01024681  0.03041027  -0.07201765 119 ASN   A HB3   
131  H  HB3   B ASN   A 8   ? 0.32776546 0.37679529 0.07565307 -0.01038766 0.05007252  -0.09039360 119 ASN   A HB3   
132  H  HD21  A ASN   A 8   ? 0.39814928 0.42724240 0.09478889 0.01214070  -0.00442014 -0.04227406 119 ASN   A HD21  
133  H  HD21  B ASN   A 8   ? 0.35434821 0.39384714 0.02762514 -0.02085367 0.04057612  -0.08178704 119 ASN   A HD21  
134  H  HD22  A ASN   A 8   ? 0.39706957 0.42700249 0.09472399 0.01136214  -0.00470786 -0.04249247 119 ASN   A HD22  
135  H  HD22  B ASN   A 8   ? 0.35438770 0.39212736 0.02857100 -0.01996313 0.04025985  -0.08054557 119 ASN   A HD22  
136  N  N     . LEU   A 9   ? 0.30952281 0.33614951 0.09921327 0.01708349  0.03174033  -0.07367121 120 LEU   A N     
137  C  CA    . LEU   A 9   ? 0.31234273 0.31728300 0.10564828 0.02434337  0.00663894  -0.08023571 120 LEU   A CA    
138  C  C     . LEU   A 9   ? 0.31327218 0.31441879 0.09042811 0.03134485  -0.00191399 -0.06705399 120 LEU   A C     
139  O  O     . LEU   A 9   ? 0.30720627 0.29957193 0.05514887 0.02679086  0.00327298  -0.06660885 120 LEU   A O     
140  C  CB    . LEU   A 9   ? 0.33237264 0.31428969 0.09438367 0.02422212  -0.01012127 -0.07633017 120 LEU   A CB    
141  C  CG    . LEU   A 9   ? 0.36378768 0.32223564 0.09699370 0.02248840  -0.02691651 -0.07556236 120 LEU   A CG    
142  C  CD1   . LEU   A 9   ? 0.36603236 0.34417149 0.13518839 0.03400950  -0.01740405 -0.08005074 120 LEU   A CD1   
143  C  CD2   . LEU   A 9   ? 0.38751820 0.33149347 0.08124725 0.01712470  -0.03337431 -0.06784627 120 LEU   A CD2   
144  H  H     . LEU   A 9   ? 0.31203115 0.33580482 0.09634584 0.01677238  0.03216391  -0.07738721 120 LEU   A H     
145  H  HA    . LEU   A 9   ? 0.31387523 0.31999964 0.10169754 0.02449114  0.00743618  -0.07639353 120 LEU   A HA    
146  H  HB2   . LEU   A 9   ? 0.33369851 0.31540984 0.09706971 0.02370368  -0.01002138 -0.07733940 120 LEU   A HB2   
147  H  HB3   . LEU   A 9   ? 0.33291227 0.31583443 0.09674372 0.02389131  -0.00960036 -0.07673122 120 LEU   A HB3   
148  H  HG    . LEU   A 9   ? 0.36184764 0.32221478 0.09897085 0.02336474  -0.02374116 -0.07650767 120 LEU   A HG    
149  H  HD11  . LEU   A 9   ? 0.36610669 0.33952242 0.12814420 0.03182809  -0.02077983 -0.07849758 120 LEU   A HD11  
150  H  HD12  . LEU   A 9   ? 0.36574781 0.34166592 0.12675916 0.03171137  -0.01956788 -0.07984231 120 LEU   A HD12  
151  H  HD13  . LEU   A 9   ? 0.36613142 0.34189400 0.12733440 0.03294648  -0.01897942 -0.07699037 120 LEU   A HD13  
152  H  HD21  . LEU   A 9   ? 0.38414097 0.32954189 0.08541337 0.01851755  -0.03112145 -0.06917203 120 LEU   A HD21  
153  H  HD22  . LEU   A 9   ? 0.38250521 0.32916227 0.08512440 0.01850383  -0.03113247 -0.06885744 120 LEU   A HD22  
154  H  HD23  . LEU   A 9   ? 0.38298652 0.32920656 0.08595122 0.01866360  -0.03161947 -0.06916204 120 LEU   A HD23  
155  N  N     . PRO   A 10  ? 0.32925516 0.32178000 0.12722734 0.04453629  -0.00064960 -0.07091354 121 PRO   A N     
156  C  CA    . PRO   A 10  ? 0.34049225 0.32567465 0.09817917 0.04651375  0.00091197  -0.06611639 121 PRO   A CA    
157  C  C     . PRO   A 10  ? 0.33997637 0.30605948 0.06263351 0.05260308  -0.01855996 -0.05943891 121 PRO   A C     
158  O  O     . PRO   A 10  ? 0.34117383 0.33114922 0.07725320 0.06401989  -0.04802775 -0.08368250 121 PRO   A O     
159  C  CB    . PRO   A 10  ? 0.35076216 0.34060127 0.14214833 0.05259243  0.01429924  -0.07693098 121 PRO   A CB    
160  C  CG    . PRO   A 10  ? 0.34917819 0.36089292 0.14711478 0.04689841  0.00969698  -0.07437015 121 PRO   A CG    
161  C  CD    . PRO   A 10  ? 0.34140897 0.34269732 0.16097923 0.03941277  0.00817892  -0.07780228 121 PRO   A CD    
162  H  HA    . PRO   A 10  ? 0.33931959 0.32251042 0.10210662 0.04784942  -0.00077152 -0.06743639 121 PRO   A HA    
163  H  HB2   . PRO   A 10  ? 0.34889993 0.34202451 0.13477975 0.05040623  0.01159052  -0.07434373 121 PRO   A HB2   
164  H  HB3   . PRO   A 10  ? 0.34896851 0.34122881 0.14026064 0.05082503  0.01238338  -0.07297254 121 PRO   A HB3   
165  H  HG2   . PRO   A 10  ? 0.34868324 0.35463417 0.14872241 0.04657853  0.01053683  -0.07601503 121 PRO   A HG2   
166  H  HG3   . PRO   A 10  ? 0.34822857 0.35442179 0.14850456 0.04678291  0.01045252  -0.07587513 121 PRO   A HG3   
167  H  HD2   . PRO   A 10  ? 0.34074432 0.34143513 0.15607758 0.04136640  0.00908650  -0.07757261 121 PRO   A HD2   
168  H  HD3   . PRO   A 10  ? 0.33956635 0.34121460 0.15144984 0.04189548  0.00737460  -0.07623770 121 PRO   A HD3   
169  N  N     . LEU   A 11  ? 0.34348112 0.29252127 0.04589288 0.05005006  -0.01954255 -0.06967016 122 LEU   A N     
170  C  CA    . LEU   A 11  ? 0.35137227 0.28005075 0.03742662 0.05143178  -0.03531867 -0.05758944 122 LEU   A CA    
171  C  C     . LEU   A 11  ? 0.34648371 0.27915335 0.03741727 0.05019012  -0.04010381 -0.05313759 122 LEU   A C     
172  O  O     . LEU   A 11  ? 0.32327774 0.25625855 0.02194751 0.04421691  -0.03304809 -0.03669750 122 LEU   A O     
173  C  CB    . LEU   A 11  ? 0.35414124 0.27285779 0.02015390 0.04284219  -0.01967058 -0.04339303 122 LEU   A CB    
174  C  CG    . LEU   A 11  ? 0.36126116 0.26267618 0.03405405 0.03811122  -0.00995687 -0.04133364 122 LEU   A CG    
175  C  CD1   . LEU   A 11  ? 0.35927808 0.25420994 0.01795445 0.03639702  0.00988426  -0.03932131 122 LEU   A CD1   
176  C  CD2   . LEU   A 11  ? 0.35498840 0.27590671 0.04751665 0.04229674  -0.01766758 -0.04399928 122 LEU   A CD2   
177  H  H     . LEU   A 11  ? 0.34384364 0.29300433 0.04980404 0.05048563  -0.02138342 -0.06567279 122 LEU   A H     
178  H  HA    . LEU   A 11  ? 0.34964412 0.28171992 0.03608035 0.05028619  -0.03252529 -0.05607053 122 LEU   A HA    
179  H  HB2   . LEU   A 11  ? 0.35327360 0.27093381 0.02360879 0.04366651  -0.02167650 -0.04456543 122 LEU   A HB2   
180  H  HB3   . LEU   A 11  ? 0.35442972 0.27089724 0.02538010 0.04343813  -0.02040404 -0.04472405 122 LEU   A HB3   
181  H  HG    . LEU   A 11  ? 0.35853130 0.26454890 0.03140894 0.03916358  -0.00956671 -0.04154627 122 LEU   A HG    
182  H  HD11  . LEU   A 11  ? 0.35904157 0.25555155 0.02158870 0.03677382  0.00442735  -0.03983103 122 LEU   A HD11  
183  H  HD12  . LEU   A 11  ? 0.35888702 0.25433570 0.02151204 0.03658491  0.00487372  -0.04051729 122 LEU   A HD12  
184  H  HD13  . LEU   A 11  ? 0.35869697 0.25464964 0.02163828 0.03606085  0.00526250  -0.03944575 122 LEU   A HD13  
185  H  HD21  . LEU   A 11  ? 0.35591194 0.27293611 0.04431685 0.04181270  -0.01591423 -0.04363138 122 LEU   A HD21  
186  H  HD22  . LEU   A 11  ? 0.35668620 0.27355015 0.04471705 0.04213262  -0.01611013 -0.04399470 122 LEU   A HD22  
187  H  HD23  . LEU   A 11  ? 0.35639265 0.27403808 0.04485092 0.04149509  -0.01587488 -0.04277910 122 LEU   A HD23  
188  N  N     . PRO   A 12  ? 0.37556234 0.29510051 0.06280411 0.06865221  -0.06430514 -0.06548417 123 PRO   A N     
189  C  CA    . PRO   A 12  ? 0.37259990 0.30449462 0.02219603 0.06377512  -0.04672976 -0.05350459 123 PRO   A CA    
190  C  C     . PRO   A 12  ? 0.37089124 0.31543487 0.01589689 0.06231776  0.00175574  -0.03283609 123 PRO   A C     
191  O  O     . PRO   A 12  ? 0.52133769 0.66703099 0.00831670 0.11680782  0.03163496  0.00208247  123 PRO   A O     
192  C  CB    . PRO   A 12  ? 0.37842059 0.29970407 0.08298930 0.06358939  -0.04984043 -0.05397151 123 PRO   A CB    
193  C  CG    . PRO   A 12  ? 0.38200817 0.30493906 0.04304491 0.06178372  -0.04992725 -0.05447497 123 PRO   A CG    
194  C  CD    . PRO   A 12  ? 0.38275784 0.29982126 0.08017851 0.07190031  -0.06774638 -0.06512044 123 PRO   A CD    
195  H  HA    . PRO   A 12  ? 0.37728757 0.30243406 0.02572571 0.06597209  -0.04068644 -0.04646483 123 PRO   A HA    
196  H  HB2   . PRO   A 12  ? 0.37847608 0.30294934 0.06424630 0.06366306  -0.04965188 -0.05391927 123 PRO   A HB2   
197  H  HB3   . PRO   A 12  ? 0.38021904 0.30225641 0.07251712 0.06287592  -0.05415177 -0.05278344 123 PRO   A HB3   
198  H  HG2   . PRO   A 12  ? 0.38025656 0.30161983 0.05738243 0.06378134  -0.05273204 -0.05488276 123 PRO   A HG2   
199  H  HG3   . PRO   A 12  ? 0.38027936 0.30076277 0.05687945 0.06281015  -0.05166791 -0.05422488 123 PRO   A HG3   
200  H  HD2   . PRO   A 12  ? 0.38197750 0.30230469 0.07599568 0.07039431  -0.06414054 -0.06604640 123 PRO   A HD2   
201  H  HD3   . PRO   A 12  ? 0.38046217 0.30061883 0.07076507 0.07000036  -0.06313352 -0.06387442 123 PRO   A HD3   
202  N  N     . GLY   A 13  ? 0.34667724 0.25386232 0.04772492 0.04435094  0.01871725  -0.00373736 124 GLY   A N     
203  C  CA    . GLY   A 13  ? 0.35649964 0.26484704 0.09558740 0.04279797  0.04447113  0.02218139  124 GLY   A CA    
204  C  C     . GLY   A 13  ? 0.36280236 0.27163219 0.09188091 0.03937666  0.06448026  0.04254825  124 GLY   A C     
205  O  O     . GLY   A 13  ? 0.37509441 0.29650295 0.19866145 0.03580786  0.07519095  0.06474540  124 GLY   A O     
206  H  H     . GLY   A 13  ? 0.35429680 0.26639611 0.04890667 0.04791553  0.02217757  -0.00042745 124 GLY   A H     
207  H  HA2   . GLY   A 13  ? 0.35526401 0.26331025 0.09169500 0.04275195  0.04513305  0.02225974  124 GLY   A HA2   
208  H  HA3   . GLY   A 13  ? 0.35527584 0.26394975 0.08416805 0.04225430  0.04376187  0.01985816  124 GLY   A HA3   
209  N  N     . GLY   A 14  ? 0.35096338 0.26987523 0.08305676 0.03342911  0.06768288  0.02907556  125 GLY   A N     
210  C  CA    . GLY   A 14  ? 0.34670344 0.26910746 0.05166855 0.03161670  0.05667920  0.02652475  125 GLY   A CA    
211  C  C     . GLY   A 14  ? 0.33596402 0.27952251 0.04855004 0.02927453  0.04080652  0.02300488  125 GLY   A C     
212  O  O     . GLY   A 14  ? 0.35454452 0.37979519 0.08198050 0.05271734  0.03806067  0.05704480  125 GLY   A O     
213  H  H     . GLY   A 14  ? 0.35116667 0.26960301 0.07689099 0.03404620  0.06387317  0.03077211  125 GLY   A H     
214  H  HA2   . GLY   A 14  ? 0.34534070 0.26992315 0.05665641 0.03122994  0.05540074  0.02611129  125 GLY   A HA2   
215  H  HA3   . GLY   A 14  ? 0.34594995 0.27057660 0.05757616 0.03086347  0.05589479  0.02621172  125 GLY   A HA3   
216  N  N     . VAL   A 15  ? 0.31951433 0.25487429 0.03167619 0.01521071  0.03071097  0.02634440  126 VAL   A N     
217  C  CA    . VAL   A 15  ? 0.32154766 0.24501298 0.02650551 0.00134011  0.02326173  0.00921119  126 VAL   A CA    
218  C  C     . VAL   A 15  ? 0.33874431 0.23521271 0.02169720 -0.00290433 0.01857846  0.00442654  126 VAL   A C     
219  O  O     . VAL   A 15  ? 0.36655849 0.23304535 0.04188741 -0.01294325 -0.00119273 -0.00107722 126 VAL   A O     
220  C  CB    . VAL   A 15  ? 0.32603967 0.23919529 0.02048887 -0.00109270 0.01923782  0.00074004  126 VAL   A CB    
221  C  CG1   . VAL   A 15  ? 0.32386005 0.24112569 0.02619784 -0.00418104 0.01346207  -0.00891657 126 VAL   A CG1   
222  C  CG2   . VAL   A 15  ? 0.32143506 0.23244555 0.03214104 0.00094265  0.02678066  0.01397236  126 VAL   A CG2   
223  H  H     . VAL   A 15  ? 0.32121688 0.25652575 0.03302839 0.01555445  0.03027660  0.02240215  126 VAL   A H     
224  H  HA    . VAL   A 15  ? 0.32406640 0.24472056 0.02553152 0.00289035  0.02289809  0.01029822  126 VAL   A HA    
225  H  HB    . VAL   A 15  ? 0.32439154 0.23914610 0.02126426 -0.00108694 0.02061728  0.00279693  126 VAL   A HB    
226  H  HG11  . VAL   A 15  ? 0.32393104 0.24056226 0.02724928 -0.00326356 0.01501035  -0.00633735 126 VAL   A HG11  
227  H  HG12  . VAL   A 15  ? 0.32362601 0.24048741 0.02538037 -0.00333695 0.01498752  -0.00621823 126 VAL   A HG12  
228  H  HG13  . VAL   A 15  ? 0.32392260 0.24046743 0.02544313 -0.00338826 0.01508989  -0.00620173 126 VAL   A HG13  
229  H  HG21  . VAL   A 15  ? 0.32238606 0.23387399 0.02976619 0.00031725  0.02492062  0.01084885  126 VAL   A HG21  
230  H  HG22  . VAL   A 15  ? 0.32230705 0.23323427 0.02953934 -0.00023948 0.02515987  0.01088032  126 VAL   A HG22  
231  H  HG23  . VAL   A 15  ? 0.32236120 0.23393412 0.03176676 0.00045440  0.02498898  0.01089442  126 VAL   A HG23  
232  N  N     . VAL   A 16  ? 0.34272060 0.24736117 0.02120269 -0.00877935 0.02314285  0.00563075  127 VAL   A N     
233  C  CA    . VAL   A 16  ? 0.34981325 0.24846421 0.03331273 -0.01242027 0.01649596  -0.00977072 127 VAL   A CA    
234  C  C     . VAL   A 16  ? 0.34291941 0.24743952 0.02392682 -0.01962410 0.00649737  -0.00060630 127 VAL   A C     
235  O  O     . VAL   A 16  ? 0.33179590 0.22849397 0.03076234 -0.01629357 0.01682537  0.00445849  127 VAL   A O     
236  C  CB    . VAL   A 16  ? 0.36518580 0.26310965 0.07227575 -0.00227988 0.03533535  -0.02009391 127 VAL   A CB    
237  C  CG1   . VAL   A 16  ? 0.36982325 0.26886502 0.07749883 0.00489730  0.03115437  -0.00243364 127 VAL   A CG1   
238  C  CG2   . VAL   A 16  ? 0.36962271 0.27558810 0.12781583 0.00070337  0.03928576  -0.00159474 127 VAL   A CG2   
239  H  H     . VAL   A 16  ? 0.34303898 0.24562810 0.02498685 -0.00755813 0.02133222  0.00343334  127 VAL   A H     
240  H  HA    . VAL   A 16  ? 0.34808111 0.24950193 0.03408852 -0.01180293 0.01784627  -0.00687538 127 VAL   A HA    
241  H  HB    . VAL   A 16  ? 0.36314529 0.26265118 0.07117957 -0.00256332 0.03299857  -0.01296098 127 VAL   A HB    
242  H  HG11  . VAL   A 16  ? 0.36901814 0.26741174 0.07758489 0.00316401  0.03107226  -0.00659314 127 VAL   A HG11  
243  H  HG12  . VAL   A 16  ? 0.36872360 0.26766393 0.07594608 0.00338889  0.03169284  -0.00689721 127 VAL   A HG12  
244  H  HG13  . VAL   A 16  ? 0.36881357 0.26749918 0.07618991 0.00304764  0.03177856  -0.00680835 127 VAL   A HG13  
245  H  HG21  . VAL   A 16  ? 0.36977509 0.27202928 0.11376523 -0.00037103 0.03794885  -0.00606190 127 VAL   A HG21  
246  H  HG22  . VAL   A 16  ? 0.37133825 0.27156717 0.11536179 0.00035342  0.03990807  -0.00580408 127 VAL   A HG22  
247  H  HG23  . VAL   A 16  ? 0.37025875 0.27125439 0.12013099 -0.00024612 0.03437696  -0.00651428 127 VAL   A HG23  
248  N  N     . PRO   A 17  ? 0.33308971 0.25285807 0.02257170 -0.02442603 0.00762078  -0.01159363 128 PRO   A N     
249  C  CA    . PRO   A 17  ? 0.34185752 0.25698525 0.02219085 -0.02178536 0.00822460  -0.01046873 128 PRO   A CA    
250  C  C     . PRO   A 17  ? 0.34338304 0.23982666 0.02608386 -0.02281357 0.00414498  -0.00217033 128 PRO   A C     
251  O  O     . PRO   A 17  ? 0.35255581 0.24483190 0.04570346 -0.01119421 0.00400762  0.01074242  128 PRO   A O     
252  C  CB    . PRO   A 17  ? 0.35528255 0.25854895 0.03335415 -0.02884246 0.01503964  -0.01616583 128 PRO   A CB    
253  C  CG    . PRO   A 17  ? 0.35092580 0.26019058 0.04388881 -0.02803717 0.00492579  -0.02362958 128 PRO   A CG    
254  C  CD    . PRO   A 17  ? 0.34716037 0.26050448 0.03200405 -0.02704998 0.00075088  -0.00995592 128 PRO   A CD    
255  H  HA    . PRO   A 17  ? 0.34216586 0.25429070 0.02480218 -0.02334480 0.00843051  -0.00959679 128 PRO   A HA    
256  H  HB2   . PRO   A 17  ? 0.35196319 0.25882924 0.03318581 -0.02755532 0.01172958  -0.01661992 128 PRO   A HB2   
257  H  HB3   . PRO   A 17  ? 0.35176066 0.25835177 0.03305093 -0.02731936 0.01186256  -0.01659429 128 PRO   A HB3   
258  H  HG2   . PRO   A 17  ? 0.35045436 0.25964716 0.03937013 -0.02837246 0.00615729  -0.01951184 128 PRO   A HG2   
259  H  HG3   . PRO   A 17  ? 0.35070848 0.26004139 0.03923175 -0.02836121 0.00626896  -0.01942936 128 PRO   A HG3   
260  H  HD2   . PRO   A 17  ? 0.34500778 0.25985789 0.03327658 -0.02678963 0.00312930  -0.01220176 128 PRO   A HD2   
261  H  HD3   . PRO   A 17  ? 0.34461793 0.25815481 0.03116863 -0.02632152 0.00259041  -0.01157697 128 PRO   A HD3   
262  N  N     . ARG   A 18  ? 0.34320697 0.23658927 0.02155033 -0.02453717 0.00226501  -0.00052188 129 ARG   A N     
263  C  CA    . ARG   A 18  ? 0.35628763 0.25354850 0.01707097 -0.02794007 -0.00601834 -0.00124763 129 ARG   A CA    
264  C  C     . ARG   A 18  ? 0.33703929 0.23838526 0.01023460 -0.01539349 -0.00426851 0.00453646  129 ARG   A C     
265  O  O     . ARG   A 18  ? 0.34280390 0.26013708 0.04724052 -0.02291133 -0.01913076 0.02735623  129 ARG   A O     
266  C  CB    . ARG   A 18  ? 0.38304517 0.26608875 0.02069452 -0.03232034 0.00345967  0.00973856  129 ARG   A CB    
267  C  CG    . ARG   A 18  ? 0.41013873 0.28750557 0.07598236 -0.03946569 0.01657312  0.01283155  129 ARG   A CG    
268  C  CD    . ARG   A 18  ? 0.44963291 0.30409294 0.09859631 -0.04218400 0.01916629  0.02243707  129 ARG   A CD    
269  N  NE    . ARG   A 18  ? 0.48996076 0.35467899 0.18222068 -0.02694380 0.04919810  0.03203152  129 ARG   A NE    
270  C  CZ    . ARG   A 18  ? 0.52909333 0.41099143 0.27671549 -0.02573896 0.05247775  -0.00601951 129 ARG   A CZ    
271  N  NH1   . ARG   A 18  ? 0.54865897 0.43605283 0.31711668 -0.00102760 0.06523006  -0.01611314 129 ARG   A NH1   
272  N  NH2   . ARG   A 18  ? 0.53198153 0.46555156 0.34320608 -0.02128591 0.06246679  0.01354693  129 ARG   A NH2   
273  H  H     . ARG   A 18  ? 0.34489146 0.23983011 0.02185344 -0.02405813 0.00138152  -0.00131927 129 ARG   A H     
274  H  HA    . ARG   A 18  ? 0.35469753 0.24979745 0.01866289 -0.02612369 -0.00308733 0.00201569  129 ARG   A HA    
275  H  HB2   . ARG   A 18  ? 0.37962079 0.26551083 0.02731998 -0.03179462 0.00435417  0.00707064  129 ARG   A HB2   
276  H  HB3   . ARG   A 18  ? 0.37913889 0.26602325 0.02801355 -0.03226595 0.00296175  0.00794717  129 ARG   A HB3   
277  H  HG2   . ARG   A 18  ? 0.41017595 0.28492969 0.06733861 -0.03887834 0.01395359  0.01496453  129 ARG   A HG2   
278  H  HG3   . ARG   A 18  ? 0.41143274 0.28438041 0.06833407 -0.03786772 0.01654629  0.01447071  129 ARG   A HG3   
279  H  HD2   . ARG   A 18  ? 0.44411486 0.30763477 0.10007947 -0.03936790 0.02157855  0.02143703  129 ARG   A HD2   
280  H  HD3   . ARG   A 18  ? 0.44571617 0.30877396 0.10560257 -0.03901137 0.02374350  0.02203506  129 ARG   A HD3   
281  H  HE    . ARG   A 18  ? 0.48798537 0.34810144 0.17416181 -0.02905992 0.04434325  0.02492457  129 ARG   A HE    
282  H  HH11  . ARG   A 18  ? 0.54476744 0.43105048 0.30766135 -0.00619477 0.06281721  -0.00939081 129 ARG   A HH11  
283  H  HH12  . ARG   A 18  ? 0.54732859 0.42721018 0.30282608 -0.00655766 0.06224503  -0.01135187 129 ARG   A HH12  
284  H  HH21  . ARG   A 18  ? 0.53280848 0.45593780 0.32562953 -0.02027116 0.06210580  0.01767012  129 ARG   A HH21  
285  H  HH22  . ARG   A 18  ? 0.53278363 0.44854471 0.31689528 -0.02413595 0.05836720  0.01500689  129 ARG   A HH22  
286  N  N     . MET   A 19  ? 0.32372940 0.23932393 0.00652604 -0.01501169 0.00535265  -0.00514900 130 MET   A N     
287  C  CA    . MET   A 19  ? 0.33014935 0.23714329 0.03184145 -0.01516239 -0.00468280 0.00495014  130 MET   A CA    
288  C  C     . MET   A 19  ? 0.30659321 0.23239130 0.03844080 -0.01003718 0.00048243  0.00333249  130 MET   A C     
289  O  O     . MET   A 19  ? 0.31059361 0.23736779 0.09601949 -0.00562015 -0.01128181 -0.01613732 130 MET   A O     
290  C  CB    . MET   A 19  ? 0.33933690 0.26096457 0.03311843 -0.02179776 -0.01714250 0.01585839  130 MET   A CB    
291  C  CG    . MET   A 19  ? 0.35847002 0.29685023 0.03819528 -0.02596954 -0.00576240 0.03917400  130 MET   A CG    
292  S  SD    . MET   A 19  ? 0.37386575 0.38912237 0.04132299 -0.03525621 -0.01359780 0.03753770  130 MET   A SD    
293  C  CE    . MET   A 19  ? 0.36120337 0.39430416 0.02412493 -0.02496208 -0.00677438 0.01363089  130 MET   A CE    
294  H  H     . MET   A 19  ? 0.32679105 0.23884791 0.00847799 -0.01561445 0.00042723  -0.00120874 130 MET   A H     
295  H  HA    . MET   A 19  ? 0.32765982 0.24049495 0.02852820 -0.01515553 -0.00377239 0.00448867  130 MET   A HA    
296  H  HB2   . MET   A 19  ? 0.33988535 0.26002187 0.03366612 -0.02100575 -0.01213498 0.01713792  130 MET   A HB2   
297  H  HB3   . MET   A 19  ? 0.33933604 0.26035497 0.03406985 -0.02068135 -0.01224816 0.01734169  130 MET   A HB3   
298  H  HG2   . MET   A 19  ? 0.35613889 0.29997340 0.03729830 -0.02626335 -0.00919351 0.03402656  130 MET   A HG2   
299  H  HG3   . MET   A 19  ? 0.35643461 0.30018291 0.03737923 -0.02643910 -0.00902310 0.03393826  130 MET   A HG3   
300  H  HE1   . MET   A 19  ? 0.36407179 0.39278626 0.02409541 -0.02684794 -0.00798937 0.01829081  130 MET   A HE1   
301  H  HE2   . MET   A 19  ? 0.36354014 0.39198631 0.02715841 -0.02699699 -0.00813314 0.01826423  130 MET   A HE2   
302  H  HE3   . MET   A 19  ? 0.36340550 0.39247453 0.02785252 -0.02678111 -0.00849227 0.01822297  130 MET   A HE3   
303  N  N     . LEU   A 20  ? 0.31151655 0.22641683 0.07403982 -0.00793973 -0.01201791 -0.00373170 131 LEU   A N     
304  C  CA    . LEU   A 20  ? 0.32288793 0.24212362 0.07684462 -0.00577186 -0.01081214 -0.01257360 131 LEU   A CA    
305  C  C     . LEU   A 20  ? 0.30945691 0.23293248 0.11198317 -0.00092037 -0.01801155 -0.01397525 131 LEU   A C     
306  O  O     . LEU   A 20  ? 0.31649959 0.23009771 0.16045696 0.00632595  -0.01749117 0.00023945  131 LEU   A O     
307  C  CB    . LEU   A 20  ? 0.34373915 0.26191065 0.08311610 -0.00107735 -0.01056940 0.00091530  131 LEU   A CB    
308  C  CG    . LEU   A 20  ? 0.36918527 0.26827863 0.11253920 -0.00529642 -0.01596517 -0.00797507 131 LEU   A CG    
309  C  CD1   . LEU   A 20  ? 0.36862296 0.26763359 0.10972378 -0.00413735 -0.00133958 -0.01746838 131 LEU   A CD1   
310  C  CD2   . LEU   A 20  ? 0.38883775 0.27745530 0.10835478 0.00313215  -0.02020472 -0.01140779 131 LEU   A CD2   
311  H  H     . LEU   A 20  ? 0.31199354 0.23031335 0.06615726 -0.00748282 -0.00888324 -0.00351715 131 LEU   A H     
312  H  HA    . LEU   A 20  ? 0.32200766 0.24038734 0.08312104 -0.00505087 -0.01182260 -0.00935504 131 LEU   A HA    
313  H  HB2   . LEU   A 20  ? 0.34326965 0.25873443 0.08695126 -0.00240553 -0.01125947 -0.00363132 131 LEU   A HB2   
314  H  HB3   . LEU   A 20  ? 0.34307021 0.25861588 0.08694283 -0.00249488 -0.01121329 -0.00357700 131 LEU   A HB3   
315  H  HG    . LEU   A 20  ? 0.36705354 0.26816559 0.10672714 -0.00310612 -0.01382175 -0.00847608 131 LEU   A HG    
316  H  HD11  . LEU   A 20  ? 0.36805445 0.26733086 0.11163559 -0.00472074 -0.00433507 -0.01609059 131 LEU   A HD11  
317  H  HD12  . LEU   A 20  ? 0.36803317 0.26658368 0.10933500 -0.00459704 -0.00462226 -0.01622911 131 LEU   A HD12  
318  H  HD13  . LEU   A 20  ? 0.36845961 0.26741776 0.11042272 -0.00457789 -0.00466261 -0.01559035 131 LEU   A HD13  
319  H  HD21  . LEU   A 20  ? 0.38570982 0.27512133 0.11012524 0.00118391  -0.01937409 -0.01056341 131 LEU   A HD21  
320  H  HD22  . LEU   A 20  ? 0.38553256 0.27603066 0.11035284 0.00237574  -0.01975309 -0.01106866 131 LEU   A HD22  
321  H  HD23  . LEU   A 20  ? 0.38478631 0.27493751 0.11019604 0.00148469  -0.01933631 -0.01060462 131 LEU   A HD23  
322  N  N     . ILE   A 21  ? 0.29466036 0.22829491 0.09492664 -0.00190145 -0.00687136 -0.01932722 132 ILE   A N     
323  C  CA    . ILE   A 21  ? 0.29657531 0.23502468 0.09700486 0.00031065  0.00223979  -0.02286608 132 ILE   A CA    
324  C  C     . ILE   A 21  ? 0.28862983 0.22905833 0.10902057 -0.00037275 0.01273132  -0.02591628 132 ILE   A C     
325  O  O     . ILE   A 21  ? 0.29598519 0.23274615 0.14491586 -0.00105864 0.01057302  -0.04822447 132 ILE   A O     
326  C  CB    . ILE   A 21  ? 0.31829950 0.25712788 0.09521766 0.00852462  0.00884633  -0.01990192 132 ILE   A CB    
327  C  CG1   . ILE   A 21  ? 0.33200404 0.27976307 0.10188308 0.01088393  0.01769943  -0.03232375 132 ILE   A CG1   
328  C  CG2   . ILE   A 21  ? 0.32897663 0.26762137 0.13433145 0.00832292  0.01061892  -0.00516661 132 ILE   A CG2   
329  C  CD1   . ILE   A 21  ? 0.34400827 0.29284090 0.11081089 0.01031627  0.00938936  -0.02917739 132 ILE   A CD1   
330  H  H     . ILE   A 21  ? 0.29651991 0.23050559 0.09866168 -0.00103036 -0.00704476 -0.01908733 132 ILE   A H     
331  H  HA    . ILE   A 21  ? 0.29730856 0.23552728 0.09913577 0.00111912  0.00310508  -0.02214657 132 ILE   A HA    
332  H  HB    . ILE   A 21  ? 0.31760764 0.25732854 0.10204367 0.00773758  0.00953502  -0.02027014 132 ILE   A HB    
333  H  HG12  . ILE   A 21  ? 0.33116052 0.27740225 0.10265718 0.01018409  0.01468111  -0.02925213 132 ILE   A HG12  
334  H  HG13  . ILE   A 21  ? 0.33158073 0.27800271 0.10278172 0.00957147  0.01461701  -0.02975275 132 ILE   A HG13  
335  H  HG21  . ILE   A 21  ? 0.32683718 0.26632652 0.12802947 0.00795702  0.01190847  -0.00910707 132 ILE   A HG21  
336  H  HG22  . ILE   A 21  ? 0.32730839 0.26586354 0.12513945 0.00803948  0.01057325  -0.00778851 132 ILE   A HG22  
337  H  HG23  . ILE   A 21  ? 0.32609051 0.26807302 0.12694369 0.00842310  0.01075426  -0.00559209 132 ILE   A HG23  
338  H  HD11  . ILE   A 21  ? 0.34072405 0.28974646 0.11107520 0.01072028  0.01073375  -0.03039603 132 ILE   A HD11  
339  H  HD12  . ILE   A 21  ? 0.34061751 0.29069993 0.11112654 0.01060172  0.01104687  -0.02916599 132 ILE   A HD12  
340  H  HD13  . ILE   A 21  ? 0.34097290 0.29016605 0.11013176 0.01017576  0.01122482  -0.03028410 132 ILE   A HD13  
341  N  N     . THR   A 22  ? 0.28492293 0.21652718 0.08680533 0.00124281  0.01566370  -0.03548004 133 THR   A N     
342  C  CA    . THR   A 22  ? 0.28801873 0.22817124 0.08809425 -0.00044475 0.01077674  -0.03715609 133 THR   A CA    
343  C  C     . THR   A 22  ? 0.28045571 0.23771672 0.07668095 0.00054117  0.01528989  -0.03843018 133 THR   A C     
344  O  O     . THR   A 22  ? 0.28708547 0.24856986 0.10461070 0.00042607  0.02754704  -0.04348533 133 THR   A O     
345  C  CB    . THR   A 22  ? 0.29940701 0.24774189 0.09361127 -0.00058997 0.00501496  -0.03193891 133 THR   A CB    
346  O  OG1   . THR   A 22  ? 0.31174898 0.25139195 0.12579688 -0.00284896 -0.00303990 -0.01497720 133 THR   A OG1   
347  C  CG2   . THR   A 22  ? 0.31058943 0.25453958 0.11035004 -0.00434058 0.00383794  -0.03698044 133 THR   A CG2   
348  H  H     . THR   A 22  ? 0.28447530 0.22100818 0.09058331 0.00173492  0.01494839  -0.03407594 133 THR   A H     
349  H  HA    . THR   A 22  ? 0.28771234 0.23038487 0.08656350 -0.00010775 0.01165810  -0.03634363 133 THR   A HA    
350  H  HB    . THR   A 22  ? 0.29976296 0.24567233 0.10023577 -0.00105581 0.00500788  -0.03092935 133 THR   A HB    
351  H  HG1   . THR   A 22  ? 0.23549575 0.23549575 0.23549575 0.00000000  0.00000000  0.00000000  133 THR   A HG1   
352  H  HG21  . THR   A 22  ? 0.30841497 0.25313658 0.10758831 -0.00382113 0.00499142  -0.03659946 133 THR   A HG21  
353  H  HG22  . THR   A 22  ? 0.30881792 0.25296614 0.10602497 -0.00380625 0.00360619  -0.03562929 133 THR   A HG22  
354  H  HG23  . THR   A 22  ? 0.30800295 0.25328332 0.10633002 -0.00289951 0.00395069  -0.03625841 133 THR   A HG23  
355  N  N     A ILE   A 23  ? 0.28037533 0.23503661 0.05302707 0.00094378  0.01505067  -0.03827121 134 ILE   A N     
356  N  N     B ILE   A 23  ? 0.27955729 0.23505467 0.05223612 0.00013365  0.01659153  -0.03768391 134 ILE   A N     
357  C  CA    A ILE   A 23  ? 0.28167272 0.23583734 0.03451253 -0.00129209 0.01595495  -0.04468849 134 ILE   A CA    
358  C  CA    B ILE   A 23  ? 0.28028604 0.23670828 0.03346140 -0.00272619 0.01891326  -0.04363149 134 ILE   A CA    
359  C  C     A ILE   A 23  ? 0.28535631 0.24444367 0.02241107 -0.00232593 0.01698951  -0.04111882 134 ILE   A C     
360  C  C     B ILE   A 23  ? 0.28504735 0.24455245 0.02254009 -0.00295480 0.01817789  -0.04022259 134 ILE   A C     
361  O  O     A ILE   A 23  ? 0.28886554 0.25122181 0.02474526 -0.00880732 0.01984544  -0.04800820 134 ILE   A O     
362  O  O     B ILE   A 23  ? 0.28824553 0.25085765 0.02763235 -0.00825024 0.02153500  -0.04562797 134 ILE   A O     
363  C  CB    A ILE   A 23  ? 0.28931391 0.23950228 0.04053923 0.00108845  0.01144015  -0.04371931 134 ILE   A CB    
364  C  CB    B ILE   A 23  ? 0.28623268 0.24045679 0.03612824 -0.00172539 0.01663847  -0.04303836 134 ILE   A CB    
365  C  CG1   A ILE   A 23  ? 0.29584873 0.24852844 0.03772749 -0.00004302 0.00907680  -0.04380463 134 ILE   A CG1   
366  C  CG1   B ILE   A 23  ? 0.29114765 0.24853863 0.03119146 -0.00557276 0.01675903  -0.04114001 134 ILE   A CG1   
367  C  CG2   A ILE   A 23  ? 0.29080179 0.24037100 0.04590764 -0.00085344 0.00951405  -0.04492953 134 ILE   A CG2   
368  C  CG2   B ILE   A 23  ? 0.28803974 0.24058133 0.04025321 -0.00367136 0.01404458  -0.04485465 134 ILE   A CG2   
369  C  CD1   A ILE   A 23  ? 0.29936162 0.25548968 0.03731304 -0.00222543 0.00214175  -0.04152349 134 ILE   A CD1   
370  C  CD1   B ILE   A 23  ? 0.29445902 0.25431648 0.03961102 -0.00642598 0.01809082  -0.04574889 134 ILE   A CD1   
371  H  H     A ILE   A 23  ? 0.28046295 0.23561935 0.05367252 0.00045355  0.01516969  -0.03933614 134 ILE   A H     
372  H  H     B ILE   A 23  ? 0.27965868 0.23580235 0.05301599 -0.00029067 0.01667408  -0.03879147 134 ILE   A H     
373  H  HA    A ILE   A 23  ? 0.28186178 0.23772046 0.03654316 -0.00049002 0.01582732  -0.04276062 134 ILE   A HA    
374  H  HA    B ILE   A 23  ? 0.28044933 0.23831847 0.03520796 -0.00185765 0.01858381  -0.04189514 134 ILE   A HA    
375  H  HB    A ILE   A 23  ? 0.28896427 0.24017987 0.04008375 0.00034179  0.01132917  -0.04396795 134 ILE   A HB    
376  H  HB    B ILE   A 23  ? 0.28586861 0.24094303 0.03581604 -0.00257279 0.01654304  -0.04310186 134 ILE   A HB    
377  H  HG12  A ILE   A 23  ? 0.29515749 0.24781878 0.03830926 -0.00017630 0.00853620  -0.04358195 134 ILE   A HG12  
378  H  HG12  B ILE   A 23  ? 0.29042265 0.24757124 0.03359173 -0.00511362 0.01700150  -0.04207047 134 ILE   A HG12  
379  H  HG13  A ILE   A 23  ? 0.29522336 0.24792294 0.03825066 -0.00026090 0.00852379  -0.04355248 134 ILE   A HG13  
380  H  HG13  B ILE   A 23  ? 0.29038087 0.24762543 0.03346743 -0.00484148 0.01674965  -0.04201159 134 ILE   A HG13  
381  H  HG21  A ILE   A 23  ? 0.29050580 0.24011162 0.04463314 -0.00052858 0.01007406  -0.04466481 134 ILE   A HG21  
382  H  HG21  B ILE   A 23  ? 0.28768831 0.24045716 0.03916101 -0.00334333 0.01462724  -0.04447972 134 ILE   A HG21  
383  H  HG22  A ILE   A 23  ? 0.29061720 0.24003033 0.04451736 -0.00046867 0.00968334  -0.04447537 134 ILE   A HG22  
384  H  HG22  B ILE   A 23  ? 0.28783572 0.24040568 0.03912617 -0.00333203 0.01423245  -0.04429350 134 ILE   A HG22  
385  H  HG23  A ILE   A 23  ? 0.29034421 0.24005613 0.04466105 -0.00034436 0.00993281  -0.04427733 134 ILE   A HG23  
386  H  HG23  B ILE   A 23  ? 0.28754172 0.24030684 0.03902886 -0.00320628 0.01447181  -0.04429647 134 ILE   A HG23  
387  H  HD11  A ILE   A 23  ? 0.29829124 0.25386351 0.03812125 -0.00180079 0.00362791  -0.04175273 134 ILE   A HD11  
388  H  HD11  B ILE   A 23  ? 0.29388788 0.25354716 0.03884310 -0.00587421 0.01757854  -0.04464531 134 ILE   A HD11  
389  H  HD12  A ILE   A 23  ? 0.29828194 0.25385797 0.03841089 -0.00182808 0.00355621  -0.04208277 134 ILE   A HD12  
390  H  HD12  B ILE   A 23  ? 0.29366714 0.25311911 0.03858484 -0.00604458 0.01794876  -0.04467473 134 ILE   A HD12  
391  H  HD13  A ILE   A 23  ? 0.29884344 0.25440055 0.03836953 -0.00209040 0.00366216  -0.04151154 134 ILE   A HD13  
392  H  HD13  B ILE   A 23  ? 0.29386169 0.25329831 0.03910452 -0.00630882 0.01824297  -0.04500027 134 ILE   A HD13  
393  N  N     . LEU   A 24  ? 0.28346702 0.24640344 0.01238468 -0.00307507 0.01195063  -0.03658843 135 LEU   A N     
394  C  CA    . LEU   A 24  ? 0.28529263 0.26183069 0.01323949 -0.00383803 0.00786478  -0.04143249 135 LEU   A CA    
395  C  C     . LEU   A 24  ? 0.28577077 0.26143527 0.01580538 -0.01333455 0.01777199  -0.04692291 135 LEU   A C     
396  O  O     . LEU   A 24  ? 0.28058556 0.26251832 0.01530812 -0.00580975 0.02799761  -0.02988411 135 LEU   A O     
397  C  CB    . LEU   A 24  ? 0.29528862 0.29243240 0.05078317 0.00697131  -0.00355032 -0.02639602 135 LEU   A CB    
398  C  CG    . LEU   A 24  ? 0.33240405 0.31405276 0.07018369 0.01519687  -0.01526243 -0.00762740 135 LEU   A CG    
399  C  CD1   . LEU   A 24  ? 0.35004419 0.34177986 0.07125941 0.03669244  0.00818035  -0.01191592 135 LEU   A CD1   
400  C  CD2   . LEU   A 24  ? 0.32936656 0.33182740 0.10231103 0.02552292  0.00290956  0.01509763  135 LEU   A CD2   
401  H  H     . LEU   A 24  ? 0.28289267 0.24748729 0.01351663 -0.00247900 0.01444758  -0.03950354 135 LEU   A H     
402  H  HA    . LEU   A 24  ? 0.28515896 0.26207656 0.01305055 -0.00335605 0.01050489  -0.04033350 135 LEU   A HA    
403  H  HB2   . LEU   A 24  ? 0.29912785 0.28881571 0.04297889 0.00609536  -0.00326266 -0.02589843 135 LEU   A HB2   
404  H  HB3   . LEU   A 24  ? 0.29805642 0.28912064 0.04207412 0.00713775  -0.00142995 -0.02555304 135 LEU   A HB3   
405  H  HG    . LEU   A 24  ? 0.32632810 0.31353378 0.06982946 0.01723473  -0.00792757 -0.00922442 135 LEU   A HG    
406  H  HD11  . LEU   A 24  ? 0.34473413 0.33473420 0.06952573 0.03319903  0.00459087  -0.01176070 135 LEU   A HD11  
407  H  HD12  . LEU   A 24  ? 0.34578270 0.33680433 0.07209869 0.03340146  0.00295918  -0.01194056 135 LEU   A HD12  
408  H  HD13  . LEU   A 24  ? 0.34708604 0.33664551 0.07231412 0.03439207  0.00460229  -0.00959602 135 LEU   A HD13  
409  H  HD21  . LEU   A 24  ? 0.32946834 0.32627058 0.09260188 0.02325998  -0.00045767 0.00945647  135 LEU   A HD21  
410  H  HD22  . LEU   A 24  ? 0.33156687 0.32913041 0.09531099 0.02550144  0.00091543  0.01177005  135 LEU   A HD22  
411  H  HD23  . LEU   A 24  ? 0.33012855 0.32759631 0.09407479 0.02391472  -0.00060357 0.01001371  135 LEU   A HD23  
412  N  N     . GLY   A 25  ? 0.30479020 0.25421324 0.01854087 -0.02070098 0.04640688  -0.03829561 136 GLY   A N     
413  C  CA    . GLY   A 25  ? 0.32330751 0.26507911 0.05143542 -0.02941778 0.04972324  -0.04843765 136 GLY   A CA    
414  C  C     . GLY   A 25  ? 0.33425689 0.25546494 0.05771771 -0.03336922 0.05873394  -0.04494571 136 GLY   A C     
415  O  O     . GLY   A 25  ? 0.36440980 0.27574572 0.06987330 -0.02909868 0.08230177  -0.03508260 136 GLY   A O     
416  H  H     . GLY   A 25  ? 0.29957837 0.25753990 0.01888329 -0.02045485 0.04393159  -0.04167790 136 GLY   A H     
417  H  HA2   . GLY   A 25  ? 0.32164219 0.26121813 0.04360617 -0.02816906 0.05090495  -0.04616041 136 GLY   A HA2   
418  H  HA3   . GLY   A 25  ? 0.32174987 0.26156628 0.04823100 -0.02856217 0.05255718  -0.04696641 136 GLY   A HA3   
419  N  N     . THR   A 26  ? 0.33774045 0.24980967 0.03952968 -0.02852974 0.05020259  -0.04595064 137 THR   A N     
420  C  CA    . THR   A 26  ? 0.33481687 0.24850668 0.05442296 -0.02191631 0.03576186  -0.04837302 137 THR   A CA    
421  C  C     . THR   A 26  ? 0.33103654 0.25623694 0.03038684 -0.02046832 0.03767024  -0.04757429 137 THR   A C     
422  O  O     . THR   A 26  ? 0.34679523 0.26973623 0.02270468 -0.00791834 0.03072039  -0.02726634 137 THR   A O     
423  C  CB    . THR   A 26  ? 0.34578988 0.26315334 0.09449305 -0.02567602 0.01804573  -0.04035300 137 THR   A CB    
424  O  OG1   . THR   A 26  ? 0.35918245 0.28870222 0.12011085 -0.01013149 -0.00355572 -0.03804338 137 THR   A OG1   
425  C  CG2   . THR   A 26  ? 0.34534827 0.25298321 0.08866199 -0.03060951 0.01737206  -0.03655746 137 THR   A CG2   
426  H  H     . THR   A 26  ? 0.33504081 0.25093129 0.04237640 -0.02824152 0.05160673  -0.04560507 137 THR   A H     
427  H  HA    . THR   A 26  ? 0.33599436 0.25228801 0.05371369 -0.02303962 0.03561191  -0.04678812 137 THR   A HA    
428  H  HB    . THR   A 26  ? 0.34572226 0.26262006 0.09023794 -0.02301677 0.01728325  -0.04119073 137 THR   A HB    
429  H  HG1   . THR   A 26  ? 0.26699397 0.26699397 0.26699397 0.00000000  0.00000000  0.00000000  137 THR   A HG1   
430  H  HG21  . THR   A 26  ? 0.34433338 0.25476161 0.09032774 -0.02951618 0.01775592  -0.03742520 137 THR   A HG21  
431  H  HG22  . THR   A 26  ? 0.34432939 0.25475737 0.08978688 -0.02940065 0.01812448  -0.03725158 137 THR   A HG22  
432  H  HG23  . THR   A 26  ? 0.34467325 0.25463939 0.08974003 -0.02912015 0.01775812  -0.03718895 137 THR   A HG23  
433  N  N     . VAL   A 27  ? 0.32110322 0.25779900 0.01752294 -0.01583611 0.02744742  -0.04105604 138 VAL   A N     
434  C  CA    . VAL   A 27  ? 0.33839360 0.26909706 0.02996206 -0.01203575 0.01107635  -0.04552849 138 VAL   A CA    
435  C  C     . VAL   A 27  ? 0.34892020 0.28285715 0.03457402 -0.01732012 0.01558987  -0.03933903 138 VAL   A C     
436  O  O     . VAL   A 27  ? 0.39258486 0.29029053 0.02824059 -0.01294579 0.00073101  -0.03790371 138 VAL   A O     
437  C  CB    . VAL   A 27  ? 0.34072492 0.28193161 0.03331806 -0.01182178 0.01050682  -0.04259886 138 VAL   A CB    
438  C  CG1   . VAL   A 27  ? 0.34583393 0.28420615 0.05404860 -0.00604469 0.01065448  -0.04295299 138 VAL   A CG1   
439  C  CG2   . VAL   A 27  ? 0.34075302 0.29449987 0.07385802 -0.01229882 0.02723832  -0.03207562 138 VAL   A CG2   
440  H  H     . VAL   A 27  ? 0.32563305 0.25891638 0.01910895 -0.01699769 0.02880484  -0.04114445 138 VAL   A H     
441  H  HA    . VAL   A 27  ? 0.33756962 0.26982182 0.02963120 -0.01321181 0.01437463  -0.04560401 138 VAL   A HA    
442  H  HB    . VAL   A 27  ? 0.34103382 0.28091276 0.03445225 -0.01095337 0.01251573  -0.04409545 138 VAL   A HB    
443  H  HG11  . VAL   A 27  ? 0.34454536 0.28401476 0.05337640 -0.00711255 0.01057034  -0.04210362 138 VAL   A HG11  
444  H  HG12  . VAL   A 27  ? 0.34519222 0.28421733 0.04983596 -0.00687101 0.01034052  -0.04288207 138 VAL   A HG12  
445  H  HG13  . VAL   A 27  ? 0.34497938 0.28375131 0.04962447 -0.00717830 0.01027025  -0.04284909 138 VAL   A HG13  
446  H  HG21  . VAL   A 27  ? 0.34050518 0.29114598 0.06432234 -0.01207937 0.02335328  -0.03441243 138 VAL   A HG21  
447  H  HG22  . VAL   A 27  ? 0.34154904 0.29155064 0.06443918 -0.01317331 0.02376126  -0.03525180 138 VAL   A HG22  
448  H  HG23  . VAL   A 27  ? 0.34075987 0.29236406 0.07254151 -0.01215438 0.02343081  -0.03140547 138 VAL   A HG23  
449  N  N     . LYS   A 28  ? 0.37789744 0.27525744 0.04425815 -0.01126320 0.01942664  -0.03964457 139 LYS   A N     
450  C  CA    . LYS   A 28  ? 0.39377254 0.29486161 0.09039656 -0.02103253 0.00425978  -0.03130227 139 LYS   A CA    
451  C  C     . LYS   A 28  ? 0.40432438 0.30130225 0.10612600 -0.02415118 -0.01011244 -0.04853887 139 LYS   A C     
452  O  O     . LYS   A 28  ? 0.42001602 0.30665645 0.12169316 -0.02396198 0.00605000  -0.07242937 139 LYS   A O     
453  C  CB    . LYS   A 28  ? 0.42365468 0.31337795 0.09782010 -0.01925878 0.00301099  -0.01923448 139 LYS   A CB    
454  C  CG    . LYS   A 28  ? 0.44802600 0.34064174 0.13012685 -0.01271508 0.02338443  -0.00930552 139 LYS   A CG    
455  C  CD    . LYS   A 28  ? 0.49040258 0.37031606 0.15689692 -0.00302957 0.02529791  0.01648607  139 LYS   A CD    
456  C  CE    . LYS   A 28  ? 0.50369442 0.41488206 0.27764413 0.00595547  0.03739183  0.01008601  139 LYS   A CE    
457  N  NZ    . LYS   A 28  ? 0.53848875 0.43988988 0.34189880 0.02444195  0.04472833  0.01623096  139 LYS   A NZ    
458  H  H     . LYS   A 28  ? 0.37340775 0.27978414 0.04906464 -0.01464869 0.01527565  -0.03894286 139 LYS   A H     
459  H  HA    . LYS   A 28  ? 0.39541224 0.29440856 0.08476754 -0.01919261 0.00431153  -0.03368811 139 LYS   A HA    
460  H  HB2   . LYS   A 28  ? 0.41985312 0.31301486 0.10158893 -0.01837704 0.00682118  -0.02008038 139 LYS   A HB2   
461  H  HB3   . LYS   A 28  ? 0.42203587 0.31316581 0.10289333 -0.01829154 0.00674602  -0.02022404 139 LYS   A HB3   
462  H  HG2   . LYS   A 28  ? 0.44944614 0.33894199 0.12721659 -0.01227484 0.02076649  -0.00689771 139 LYS   A HG2   
463  H  HG3   . LYS   A 28  ? 0.44802254 0.33911207 0.12578961 -0.01216859 0.02020616  -0.00710373 139 LYS   A HG3   
464  H  HD2   . LYS   A 28  ? 0.48414719 0.37007836 0.16771139 -0.00236965 0.02737117  0.01159049  139 LYS   A HD2   
465  H  HD3   . LYS   A 28  ? 0.48413584 0.36998600 0.16670455 -0.00293417 0.02734135  0.01123965  139 LYS   A HD3   
466  H  HE2   . LYS   A 28  ? 0.50645304 0.41325757 0.26845247 0.00841078  0.03881503  0.00863312  139 LYS   A HE2   
467  H  HE3   . LYS   A 28  ? 0.50642198 0.41102812 0.26285011 0.00935139  0.03929237  0.01455771  139 LYS   A HE3   
468  H  HZ1   . LYS   A 28  ? 0.53121668 0.43642795 0.32956162 0.02260586  0.04654742  0.01833683  139 LYS   A HZ1   
469  H  HZ2   . LYS   A 28  ? 0.53048426 0.43625584 0.33046725 0.02101663  0.04519317  0.01180017  139 LYS   A HZ2   
470  H  HZ3   . LYS   A 28  ? 0.53455555 0.43501055 0.32623345 0.02287117  0.04399417  0.01469634  139 LYS   A HZ3   
471  N  N     . PRO   A 29  ? 0.42670667 0.30396262 0.16428261 -0.01993958 -0.02199560 -0.06578163 140 PRO   A N     
472  C  CA    . PRO   A 29  ? 0.45768058 0.31066135 0.19265875 -0.01634015 -0.02138470 -0.07430647 140 PRO   A CA    
473  C  C     . PRO   A 29  ? 0.47956488 0.31526151 0.17769937 -0.01164110 -0.01008248 -0.05803981 140 PRO   A C     
474  O  O     . PRO   A 29  ? 0.51359516 0.31928658 0.25537503 0.01164492  0.03688008  -0.04455116 140 PRO   A O     
475  C  CB    . PRO   A 29  ? 0.46386987 0.31844217 0.22795221 -0.02407675 -0.02658377 -0.07972693 140 PRO   A CB    
476  C  CG    . PRO   A 29  ? 0.45187074 0.33702260 0.24280474 -0.02317831 -0.03408896 -0.07565454 140 PRO   A CG    
477  C  CD    . PRO   A 29  ? 0.43036690 0.32236159 0.18517420 -0.01591155 -0.02546016 -0.05602160 140 PRO   A CD    
478  H  HA    . PRO   A 29  ? 0.45615470 0.31140113 0.19216934 -0.01657736 -0.02141440 -0.07204684 140 PRO   A HA    
479  H  HB2   . PRO   A 29  ? 0.46143991 0.32047537 0.22500636 -0.02238343 -0.02661048 -0.07805149 140 PRO   A HB2   
480  H  HB3   . PRO   A 29  ? 0.46130860 0.32017297 0.22725293 -0.02230069 -0.02661372 -0.07786563 140 PRO   A HB3   
481  H  HG2   . PRO   A 29  ? 0.45155355 0.33448163 0.23107794 -0.01999779 -0.03202237 -0.07502779 140 PRO   A HG2   
482  H  HG3   . PRO   A 29  ? 0.45232257 0.33231670 0.23096676 -0.02155794 -0.02970489 -0.07342990 140 PRO   A HG3   
483  H  HD2   . PRO   A 29  ? 0.43202439 0.31954074 0.18611497 -0.01751873 -0.02480409 -0.05962241 140 PRO   A HD2   
484  H  HD3   . PRO   A 29  ? 0.43140191 0.31871709 0.18803126 -0.01698028 -0.02541938 -0.05976528 140 PRO   A HD3   
485  N  N     . ASN   A 30  ? 0.49788040 0.32881576 0.16333489 -0.03375380 -0.02754968 -0.06133628 141 ASN   A N     
486  C  CA    . ASN   A 30  ? 0.51357847 0.33911124 0.20695324 -0.03830038 -0.04089889 -0.05239575 141 ASN   A CA    
487  C  C     . ASN   A 30  ? 0.50121081 0.34345025 0.15030552 -0.02592436 -0.04984715 -0.03933095 141 ASN   A C     
488  O  O     . ASN   A 30  ? 0.49110943 0.33984381 0.18237676 -0.00869014 -0.04937806 -0.01887677 141 ASN   A O     
489  C  CB    . ASN   A 30  ? 0.56366241 0.35240003 0.28480265 -0.04317411 -0.04630252 -0.02882552 141 ASN   A CB    
490  C  CG    . ASN   A 30  ? 0.59916055 0.37655821 0.31401116 -0.06846764 -0.04748543 -0.03130099 141 ASN   A CG    
491  O  OD1   . ASN   A 30  ? 0.63737625 0.45793271 0.40052351 -0.09438387 -0.01584185 -0.04110871 141 ASN   A OD1   
492  N  ND2   . ASN   A 30  ? 0.62450933 0.39836359 0.36345059 -0.06477382 -0.02219115 -0.05740941 141 ASN   A ND2   
493  H  H     . ASN   A 30  ? 0.49555677 0.32779014 0.17523767 -0.03045367 -0.02625808 -0.05867932 141 ASN   A H     
494  H  HA    . ASN   A 30  ? 0.51570356 0.34016043 0.20012420 -0.03567857 -0.04069741 -0.04812252 141 ASN   A HA    
495  H  HB2   . ASN   A 30  ? 0.56327838 0.35430318 0.27638778 -0.04643466 -0.04732496 -0.03370961 141 ASN   A HB2   
496  H  HB3   . ASN   A 30  ? 0.55999249 0.35354799 0.27384248 -0.04589274 -0.04612534 -0.03436296 141 ASN   A HB3   
497  H  HD21  . ASN   A 30  ? 0.61928838 0.39206848 0.34908679 -0.06255953 -0.02809595 -0.05083413 141 ASN   A HD21  
498  H  HD22  . ASN   A 30  ? 0.61953759 0.39429784 0.35405374 -0.06317215 -0.02621014 -0.04915331 141 ASN   A HD22  
499  N  N     . ALA   A 31  ? 0.46233872 0.33058468 0.14083014 -0.01098166 -0.04121998 -0.03556541 142 ALA   A N     
500  C  CA    . ALA   A 31  ? 0.42841595 0.30258587 0.11629603 0.00310598  -0.01271720 -0.03458416 142 ALA   A CA    
501  C  C     . ALA   A 31  ? 0.41555837 0.27271646 0.10906567 0.00859019  0.00013309  -0.03483699 142 ALA   A C     
502  O  O     . ALA   A 31  ? 0.41050181 0.27887979 0.12728743 0.00578418  -0.00488049 -0.04892820 142 ALA   A O     
503  C  CB    . ALA   A 31  ? 0.43597558 0.30685735 0.13022240 0.01230496  -0.01805722 -0.02629948 142 ALA   A CB    
504  H  H     . ALA   A 31  ? 0.46271616 0.32693627 0.13867599 -0.01044698 -0.03655338 -0.03613942 142 ALA   A H     
505  H  HA    . ALA   A 31  ? 0.42923737 0.30103710 0.11823113 0.00338760  -0.01275537 -0.03372357 142 ALA   A HA    
506  H  HB1   . ALA   A 31  ? 0.43421650 0.30597371 0.12689404 0.01039513  -0.01708424 -0.02779405 142 ALA   A HB1   
507  H  HB2   . ALA   A 31  ? 0.43480644 0.30596927 0.12835315 0.01036481  -0.01819518 -0.02769554 142 ALA   A HB2   
508  H  HB3   . ALA   A 31  ? 0.43436372 0.30705616 0.12773605 0.01103804  -0.01661254 -0.02674420 142 ALA   A HB3   
509  N  N     A ASN   A 32  ? 0.37822509 0.25728244 0.10767001 0.00854819  0.00332090  -0.03212883 143 ASN   A N     
510  N  N     B ASN   A 32  ? 0.39052141 0.27111608 0.10682181 0.00693145  0.00381237  -0.03484016 143 ASN   A N     
511  C  CA    A ASN   A 32  ? 0.36948666 0.25046036 0.08361543 0.01281231  0.00438847  -0.02384251 143 ASN   A CA    
512  C  CA    B ASN   A 32  ? 0.38579237 0.27169704 0.08158535 0.00892137  0.00281254  -0.02861642 143 ASN   A CA    
513  C  C     A ASN   A 32  ? 0.35455990 0.24216473 0.07234314 0.01466972  -0.00138232 -0.01218332 143 ASN   A C     
514  C  C     B ASN   A 32  ? 0.36214548 0.25699735 0.07633904 0.01495951  0.00255933  -0.02016861 143 ASN   A C     
515  O  O     A ASN   A 32  ? 0.35020989 0.23516929 0.06880371 0.01821436  -0.00635507 -0.00757741 143 ASN   A O     
516  O  O     B ASN   A 32  ? 0.35727620 0.25301534 0.07596824 0.01974868  0.00879370  -0.02715351 143 ASN   A O     
517  C  CB    A ASN   A 32  ? 0.38011006 0.25915447 0.10647561 0.01449992  0.00975075  -0.01132005 143 ASN   A CB    
518  C  CB    B ASN   A 32  ? 0.41163206 0.29439700 0.09606805 0.00665500  -0.00368740 -0.01547183 143 ASN   A CB    
519  C  CG    A ASN   A 32  ? 0.38512194 0.26582837 0.13064307 0.01369514  0.00545597  -0.01942088 143 ASN   A CG    
520  C  CG    B ASN   A 32  ? 0.43224570 0.32150105 0.12756021 0.01449311  -0.01360522 -0.01344329 143 ASN   A CG    
521  O  OD1   A ASN   A 32  ? 0.40076938 0.31465867 0.12143674 0.01648912  0.02837277  -0.01524846 143 ASN   A OD1   
522  O  OD1   B ASN   A 32  ? 0.45390537 0.37368634 0.17072581 0.01089343  -0.03901576 -0.00783734 143 ASN   A OD1   
523  N  ND2   A ASN   A 32  ? 0.40129781 0.30134621 0.13282460 0.01680704  0.00276160  -0.02216675 143 ASN   A ND2   
524  N  ND2   B ASN   A 32  ? 0.45357114 0.32459944 0.13998647 0.01362141  -0.03552719 -0.02324700 143 ASN   A ND2   
525  H  H     A ASN   A 32  ? 0.38155296 0.25906342 0.10251458 0.00942933  0.00300034  -0.03063014 143 ASN   A H     
526  H  H     B ASN   A 32  ? 0.39268622 0.27184826 0.10170702 0.00772149  0.00303951  -0.03314087 143 ASN   A H     
527  H  HA    A ASN   A 32  ? 0.36866990 0.25117734 0.08755706 0.01374463  0.00515285  -0.02249072 143 ASN   A HA    
528  H  HA    B ASN   A 32  ? 0.38474303 0.27162603 0.08601177 0.01010624  0.00347183  -0.02689748 143 ASN   A HA    
529  H  HB2   A ASN   A 32  ? 0.37866437 0.25970009 0.10619713 0.01475699  0.00844482  -0.01436356 143 ASN   A HB2   
530  H  HB2   B ASN   A 32  ? 0.40947786 0.29399776 0.09778226 0.00853968  -0.00383397 -0.01790995 143 ASN   A HB2   
531  H  HB3   A ASN   A 32  ? 0.37881163 0.25892532 0.10641315 0.01421157  0.00804609  -0.01452847 143 ASN   A HB3   
532  H  HB3   B ASN   A 32  ? 0.40937284 0.29433531 0.09816167 0.00858830  -0.00369300 -0.01749293 143 ASN   A HB3   
533  H  HD21  A ASN   A 32  ? 0.39950693 0.29284927 0.13266177 0.01599271  0.00358364  -0.02018094 143 ASN   A HD21  
534  H  HD21  B ASN   A 32  ? 0.44965732 0.32326049 0.13689500 0.01396862  -0.03067065 -0.02040680 143 ASN   A HD21  
535  H  HD22  A ASN   A 32  ? 0.39866939 0.29245633 0.13242024 0.01664416  0.00452724  -0.02057762 143 ASN   A HD22  
536  H  HD22  B ASN   A 32  ? 0.45028067 0.32399917 0.13710982 0.01331652  -0.03037323 -0.02043825 143 ASN   A HD22  
537  N  N     . ARG   A 33  ? 0.33390611 0.24119624 0.07671652 0.00773411  -0.00393110 -0.01696034 144 ARG   A N     
538  C  CA    . ARG   A 33  ? 0.32644904 0.24272731 0.09086777 0.00275542  -0.00103060 -0.02452970 144 ARG   A CA    
539  C  C     . ARG   A 33  ? 0.30429545 0.23932338 0.07043124 -0.00292183 0.00496547  -0.02294156 144 ARG   A C     
540  O  O     . ARG   A 33  ? 0.31195191 0.24344754 0.08833538 -0.01176475 0.01368475  -0.01765065 144 ARG   A O     
541  C  CB    . ARG   A 33  ? 0.33356506 0.25181818 0.09837679 -0.00019104 -0.01356710 -0.02145622 144 ARG   A CB    
542  C  CG    . ARG   A 33  ? 0.34808588 0.26158863 0.09042803 -0.00487673 -0.01616930 -0.01208853 144 ARG   A CG    
543  C  CD    . ARG   A 33  ? 0.36698216 0.27866778 0.09945041 -0.00905406 -0.02088055 0.00455649  144 ARG   A CD    
544  N  NE    . ARG   A 33  ? 0.38225752 0.30049685 0.12120605 -0.01071111 -0.02145293 0.01305658  144 ARG   A NE    
545  C  CZ    . ARG   A 33  ? 0.39830193 0.34026113 0.11969108 -0.02610182 -0.00657566 0.02134568  144 ARG   A CZ    
546  N  NH1   . ARG   A 33  ? 0.41176283 0.36255968 0.13019641 -0.02531180 -0.01580892 0.02439976  144 ARG   A NH1   
547  N  NH2   . ARG   A 33  ? 0.41630280 0.36555737 0.14350444 -0.03198765 -0.00344170 0.01621539  144 ARG   A NH2   
548  H  H     . ARG   A 33  ? 0.33835939 0.24479653 0.07884797 0.00898817  -0.00162223 -0.01810111 144 ARG   A H     
549  H  HA    . ARG   A 33  ? 0.32536778 0.24317101 0.08585943 0.00286595  -0.00280712 -0.02256530 144 ARG   A HA    
550  H  HB2   . ARG   A 33  ? 0.33442643 0.25105831 0.09542623 -0.00045251 -0.01143841 -0.02013304 144 ARG   A HB2   
551  H  HB3   . ARG   A 33  ? 0.33442643 0.25138173 0.09559901 -0.00008483 -0.01134294 -0.02004722 144 ARG   A HB3   
552  H  HG2   . ARG   A 33  ? 0.34761700 0.26179203 0.09353032 -0.00480593 -0.01674579 -0.01129063 144 ARG   A HG2   
553  H  HG3   . ARG   A 33  ? 0.34750396 0.26229432 0.09359568 -0.00459106 -0.01642918 -0.01108784 144 ARG   A HG3   
554  H  HD2   . ARG   A 33  ? 0.36567658 0.27910274 0.10189752 -0.00877416 -0.01973944 0.00318145  144 ARG   A HD2   
555  H  HD3   . ARG   A 33  ? 0.36554730 0.27889791 0.10192540 -0.00874149 -0.01984176 0.00300191  144 ARG   A HD3   
556  H  HE    . ARG   A 33  ? 0.38154614 0.30253088 0.11553918 -0.01340014 -0.01839875 0.01246946  144 ARG   A HE    
557  H  HH11  . ARG   A 33  ? 0.40864983 0.35648516 0.12974975 -0.02554159 -0.01338441 0.02442492  144 ARG   A HH11  
558  H  HH12  . ARG   A 33  ? 0.40979686 0.35490420 0.12738550 -0.02551466 -0.01460185 0.02364260  144 ARG   A HH12  
559  H  HH21  . ARG   A 33  ? 0.41158515 0.35823017 0.14246669 -0.03019568 -0.00389134 0.01808571  144 ARG   A HH21  
560  H  HH22  . ARG   A 33  ? 0.41327590 0.35746491 0.13811570 -0.02986437 -0.00279564 0.01788705  144 ARG   A HH22  
561  N  N     . ILE   A 34  ? 0.29264569 0.22878197 0.02715799 0.00370844  0.00596260  -0.02598495 145 ILE   A N     
562  C  CA    . ILE   A 34  ? 0.28584331 0.23272264 0.03127291 0.00338019  0.00582627  -0.02771539 145 ILE   A CA    
563  C  C     . ILE   A 34  ? 0.27208349 0.21660252 0.02039450 0.00829324  0.00773638  -0.01997346 145 ILE   A C     
564  O  O     . ILE   A 34  ? 0.27049986 0.21846755 0.02685809 0.00323553  0.00971619  -0.01201114 145 ILE   A O     
565  C  CB    . ILE   A 34  ? 0.31245109 0.25041261 0.02389944 0.01249142  0.00345046  -0.03566238 145 ILE   A CB    
566  C  CG1   . ILE   A 34  ? 0.32183921 0.27241611 0.05243214 0.01311780  0.00110799  -0.06071940 145 ILE   A CG1   
567  C  CG2   . ILE   A 34  ? 0.32616898 0.26689899 0.03069833 0.02247283  0.00159833  -0.02917212 145 ILE   A CG2   
568  C  CD1   . ILE   A 34  ? 0.32740819 0.28817701 0.04213644 0.01387039  -0.00022709 -0.07416339 145 ILE   A CD1   
569  H  H     . ILE   A 34  ? 0.29311535 0.23141295 0.03703161 0.00238538  0.00581822  -0.02560369 145 ILE   A H     
570  H  HA    . ILE   A 34  ? 0.28729525 0.23167799 0.02794527 0.00538033  0.00619824  -0.02690089 145 ILE   A HA    
571  H  HB    . ILE   A 34  ? 0.31043413 0.25220540 0.03110655 0.01256331  0.00340180  -0.03679936 145 ILE   A HB    
572  H  HG12  . ILE   A 34  ? 0.32145679 0.27119356 0.04417578 0.01309558  0.00145035  -0.05732265 145 ILE   A HG12  
573  H  HG13  . ILE   A 34  ? 0.32078859 0.27127722 0.04432945 0.01275529  0.00161552  -0.05713311 145 ILE   A HG13  
574  H  HG21  . ILE   A 34  ? 0.32263023 0.26232299 0.03000314 0.02055960  0.00185958  -0.03085764 145 ILE   A HG21  
575  H  HG22  . ILE   A 34  ? 0.32364568 0.26223665 0.02980763 0.02076782  0.00140206  -0.03076407 145 ILE   A HG22  
576  H  HG23  . ILE   A 34  ? 0.32290807 0.26301193 0.03029794 0.02151696  0.00285948  -0.02951485 145 ILE   A HG23  
577  H  HD11  . ILE   A 34  ? 0.32658875 0.28441179 0.04519939 0.01367990  0.00005830  -0.07062274 145 ILE   A HD11  
578  H  HD12  . ILE   A 34  ? 0.32595506 0.28393131 0.04488123 0.01332574  -0.00000042 -0.07101491 145 ILE   A HD12  
579  H  HD13  . ILE   A 34  ? 0.32647228 0.28525740 0.04500370 0.01310150  0.00031909  -0.07033846 145 ILE   A HD13  
580  N  N     . ALA   A 35  ? 0.26664755 0.21267492 0.03330473 0.00316049  0.01768262  -0.01507438 146 ALA   A N     
581  C  CA    . ALA   A 35  ? 0.26413652 0.22183974 0.02338901 -0.00167946 0.02124621  -0.01489589 146 ALA   A CA    
582  C  C     . ALA   A 35  ? 0.26283118 0.22129738 0.00829323 -0.00117868 0.00881273  -0.01891834 146 ALA   A C     
583  O  O     . ALA   A 35  ? 0.26157650 0.22199658 0.06304049 -0.00249025 0.01361032  -0.02079347 146 ALA   A O     
584  C  CB    . ALA   A 35  ? 0.28080752 0.22565152 0.03095011 0.00537427  0.01518346  -0.01307855 146 ALA   A CB    
585  H  H     . ALA   A 35  ? 0.26690617 0.21550599 0.02838482 0.00328335  0.01637308  -0.01633799 146 ALA   A H     
586  H  HA    . ALA   A 35  ? 0.26463878 0.22045724 0.01870228 -0.00000127 0.01828443  -0.01511179 146 ALA   A HA    
587  H  HB1   . ALA   A 35  ? 0.27704623 0.22486839 0.02909283 0.00375014  0.01680023  -0.01341215 146 ALA   A HB1   
588  H  HB2   . ALA   A 35  ? 0.27839208 0.22509848 0.02975495 0.00430452  0.01587427  -0.01379950 146 ALA   A HB2   
589  H  HB3   . ALA   A 35  ? 0.27695283 0.22534016 0.02913548 0.00428186  0.01707214  -0.01309972 146 ALA   A HB3   
590  N  N     . LEU   A 36  ? 0.26981127 0.22011079 0.00675956 -0.00241991 0.00708264  -0.00717652 147 LEU   A N     
591  C  CA    . LEU   A 36  ? 0.27070564 0.22243115 0.00695787 -0.00095741 0.00554578  -0.01050739 147 LEU   A CA    
592  C  C     . LEU   A 36  ? 0.26209828 0.21427836 0.00941255 0.00666195  0.01073659  -0.02309316 147 LEU   A C     
593  O  O     . LEU   A 36  ? 0.26647308 0.23957618 0.00960498 0.00756700  0.01203664  -0.02480474 147 LEU   A O     
594  C  CB    . LEU   A 36  ? 0.28127739 0.22188781 0.01547835 0.00214272  0.01665973  0.00553649  147 LEU   A CB    
595  C  CG    . LEU   A 36  ? 0.31622833 0.25624201 0.04095922 -0.00009827 -0.00153779 -0.00134781 147 LEU   A CG    
596  C  CD1   . LEU   A 36  ? 0.33249730 0.27258229 0.05521673 -0.00220210 0.01526450  0.00855036  147 LEU   A CD1   
597  C  CD2   . LEU   A 36  ? 0.32471263 0.27174595 0.07550602 0.00484147  -0.00379716 0.01100961  147 LEU   A CD2   
598  H  H     . LEU   A 36  ? 0.26820326 0.22050628 0.00704631 -0.00180181 0.00726785  -0.01052160 147 LEU   A H     
599  H  HA    . LEU   A 36  ? 0.27079859 0.22088145 0.00709637 0.00042541  0.00839958  -0.01031287 147 LEU   A HA    
600  H  HB2   . LEU   A 36  ? 0.28153858 0.22695395 0.01090706 0.00124909  0.01135299  -0.00001799 147 LEU   A HB2   
601  H  HB3   . LEU   A 36  ? 0.28291291 0.22615527 0.01098157 0.00161094  0.01117397  -0.00039217 147 LEU   A HB3   
602  H  HG    . LEU   A 36  ? 0.31301248 0.25390795 0.04261452 0.00081069  0.00465510  0.00386128  147 LEU   A HG    
603  H  HD11  . LEU   A 36  ? 0.32923594 0.26847085 0.05195300 -0.00162574 0.01098677  0.00661956  147 LEU   A HD11  
604  H  HD12  . LEU   A 36  ? 0.32932469 0.26865169 0.05584151 -0.00114836 0.01327333  0.00752838  147 LEU   A HD12  
605  H  HD13  . LEU   A 36  ? 0.32868403 0.26979241 0.05216677 -0.00237963 0.01085091  0.00722669  147 LEU   A HD13  
606  H  HD21  . LEU   A 36  ? 0.32147285 0.26861149 0.06630225 0.00360226  -0.00303067 0.00669875  147 LEU   A HD21  
607  H  HD22  . LEU   A 36  ? 0.32257810 0.26956806 0.06705742 0.00247535  -0.00350359 0.00857879  147 LEU   A HD22  
608  H  HD23  . LEU   A 36  ? 0.32326859 0.26818147 0.07171362 0.00396338  -0.00075691 0.00907217  147 LEU   A HD23  
609  N  N     . ASP   A 37  ? 0.26554888 0.22976823 0.00995702 0.00733715  0.01042030  -0.02645518 148 ASP   A N     
610  C  CA    . ASP   A 37  ? 0.26790985 0.23304251 0.00784358 -0.00130876 0.01020459  -0.01593495 148 ASP   A CA    
611  C  C     . ASP   A 37  ? 0.27643538 0.23337805 0.00804459 0.00364088  0.00040548  -0.01970452 148 ASP   A C     
612  O  O     . ASP   A 37  ? 0.26742589 0.22951387 0.00978243 0.00343637  0.00479947  -0.02732478 148 ASP   A O     
613  C  CB    . ASP   A 37  ? 0.27880886 0.24524410 0.00757650 -0.00302907 0.01700950  -0.00678436 148 ASP   A CB    
614  C  CG    . ASP   A 37  ? 0.28754517 0.24471439 0.04240635 -0.00672831 0.01175459  0.00042379  148 ASP   A CG    
615  O  OD1   . ASP   A 37  ? 0.29763314 0.25911587 0.08274020 -0.00256628 0.00501674  -0.01133054 148 ASP   A OD1   
616  O  OD2   . ASP   A 37  ? 0.31668440 0.27936655 0.11552761 -0.01804038 -0.01135449 -0.01737503 148 ASP   A OD2   
617  H  H     . ASP   A 37  ? 0.26510617 0.22679538 0.00928553 0.00548668  0.01052336  -0.02336451 148 ASP   A H     
618  H  HA    . ASP   A 37  ? 0.26914409 0.23376513 0.00796524 0.00071430  0.00961847  -0.01704010 148 ASP   A HA    
619  H  HB2   . ASP   A 37  ? 0.27777642 0.24219558 0.00738536 -0.00314914 0.01449386  -0.00827783 148 ASP   A HB2   
620  H  HB3   . ASP   A 37  ? 0.27744725 0.24184826 0.00738705 -0.00322879 0.01432934  -0.00853518 148 ASP   A HB3   
621  N  N     . PHE   A 38  ? 0.29683277 0.23598269 0.00710607 0.00201870  0.00244582  -0.01313185 149 PHE   A N     
622  C  CA    . PHE   A 38  ? 0.29494655 0.22587208 0.00644941 0.00759493  0.00567135  0.00123611  149 PHE   A CA    
623  C  C     . PHE   A 38  ? 0.28317750 0.21732438 0.00663849 0.00512503  0.00841099  -0.00310363 149 PHE   A C     
624  O  O     . PHE   A 38  ? 0.28068507 0.23739739 0.00635170 0.01197044  0.00228927  0.00016332  149 PHE   A O     
625  C  CB    . PHE   A 38  ? 0.31061101 0.22734088 0.00675063 0.00774821  0.01126715  0.00071867  149 PHE   A CB    
626  C  CG    . PHE   A 38  ? 0.33397615 0.26512733 0.00785657 0.02058066  0.02094861  -0.00557866 149 PHE   A CG    
627  C  CD1   . PHE   A 38  ? 0.34355575 0.28658712 0.00672400 0.01946397  0.00813983  -0.00690686 149 PHE   A CD1   
628  C  CD2   . PHE   A 38  ? 0.34323245 0.27869377 0.01000810 0.03628597  0.03502584  0.00679611  149 PHE   A CD2   
629  C  CE1   . PHE   A 38  ? 0.35450590 0.31931183 0.00703759 0.02902585  0.01128217  -0.00932648 149 PHE   A CE1   
630  C  CE2   . PHE   A 38  ? 0.35665751 0.31031623 0.00863914 0.04609804  0.02576904  0.01445708  149 PHE   A CE2   
631  C  CZ    . PHE   A 38  ? 0.34993064 0.33715966 0.00667862 0.03870629  0.01083110  0.00244810  149 PHE   A CZ    
632  H  H     . PHE   A 38  ? 0.29096073 0.23295456 0.00695465 0.00359641  0.00294049  -0.01154147 149 PHE   A H     
633  H  HA    . PHE   A 38  ? 0.29456642 0.22630987 0.00651490 0.00628099  0.00649928  -0.00266256 149 PHE   A HA    
634  H  HB2   . PHE   A 38  ? 0.31047443 0.23282743 0.00679961 0.00990400  0.01187164  -0.00052113 149 PHE   A HB2   
635  H  HB3   . PHE   A 38  ? 0.31055123 0.23138510 0.00680697 0.01006861  0.01192874  -0.00082769 149 PHE   A HB3   
636  H  HD1   . PHE   A 38  ? 0.34264171 0.28743365 0.00693955 0.02161512  0.01154126  -0.00693886 149 PHE   A HD1   
637  H  HD2   . PHE   A 38  ? 0.34265614 0.27927595 0.00895762 0.03490021  0.02967036  0.00450330  149 PHE   A HD2   
638  H  HE1   . PHE   A 38  ? 0.35025492 0.31026831 0.00701480 0.03017180  0.01159801  -0.00834770 149 PHE   A HE1   
639  H  HE2   . PHE   A 38  ? 0.35184219 0.30829793 0.00820977 0.04284030  0.02427230  0.01015360  149 PHE   A HE2   
640  H  HZ    . PHE   A 38  ? 0.34718519 0.32695186 0.00650099 0.03843626  0.00749163  0.00193433  149 PHE   A HZ    
641  N  N     . GLN   A 39  ? 0.28791419 0.21656741 0.00656653 0.00675970  0.00680023  -0.00366393 150 GLN   A N     
642  C  CA    . GLN   A 39  ? 0.31575751 0.21866123 0.00644631 0.00573479  -0.00130082 0.00476923  150 GLN   A CA    
643  C  C     . GLN   A 39  ? 0.31613994 0.22328649 0.00641890 -0.00460220 -0.00249859 0.00382553  150 GLN   A C     
644  O  O     . GLN   A 39  ? 0.34662044 0.24589820 0.00677442 0.00033912  -0.01100412 -0.00454989 150 GLN   A O     
645  C  CB    . GLN   A 39  ? 0.33599114 0.23247693 0.01767948 -0.00240683 0.01724153  -0.00163734 150 GLN   A CB    
646  C  CG    . GLN   A 39  ? 0.37509754 0.25210381 0.02395087 0.00242329  0.01304750  -0.01820634 150 GLN   A CG    
647  C  CD    . GLN   A 39  ? 0.40060046 0.26338202 0.07447154 0.00501147  -0.01171170 -0.00107149 150 GLN   A CD    
648  O  OE1   . GLN   A 39  ? 0.46268082 0.29920822 0.15783605 -0.00424271 -0.04503949 -0.04266606 150 GLN   A OE1   
649  N  NE2   . GLN   A 39  ? 0.42211223 0.28577107 0.08370618 0.00571574  -0.02199858 -0.00893238 150 GLN   A NE2   
650  H  H     . GLN   A 39  ? 0.29068440 0.21715176 0.00645223 0.00648066  0.00537601  -0.00182535 150 GLN   A H     
651  H  HA    . GLN   A 39  ? 0.31190982 0.22124028 0.00636902 0.00311658  0.00258691  0.00179389  150 GLN   A HA    
652  H  HB2   . GLN   A 39  ? 0.33792824 0.23234290 0.00687858 0.00037304  0.01305387  -0.00267942 150 GLN   A HB2   
653  H  HB3   . GLN   A 39  ? 0.33833221 0.23276928 0.01763129 0.00069193  0.01517657  -0.00147804 150 GLN   A HB3   
654  H  HG2   . GLN   A 39  ? 0.36974761 0.24834295 0.03062461 0.00156143  0.00966381  -0.01098975 150 GLN   A HG2   
655  H  HG3   . GLN   A 39  ? 0.37031046 0.24876039 0.03139886 0.00149573  0.00962604  -0.01124026 150 GLN   A HG3   
656  H  HE21  . GLN   A 39  ? 0.41459626 0.28073162 0.08044101 0.00708307  -0.01844929 -0.00675715 150 GLN   A HE21  
657  H  HE22  . GLN   A 39  ? 0.41622549 0.28153318 0.08373465 0.00687525  -0.02024555 -0.00924454 150 GLN   A HE22  
658  N  N     . ARG   A 40  ? 0.31134740 0.22749712 0.00640230 0.00072384  -0.00461094 0.00005079  151 ARG   A N     
659  C  CA    . ARG   A 40  ? 0.31513774 0.22909303 0.00636276 -0.00196870 -0.00289678 0.00083753  151 ARG   A CA    
660  C  C     . ARG   A 40  ? 0.30012348 0.23064497 0.00651390 -0.00284146 -0.00399978 0.00537287  151 ARG   A C     
661  O  O     . ARG   A 40  ? 0.29821485 0.25493604 0.00694220 -0.01363988 0.00905855  0.00860189  151 ARG   A O     
662  C  CB    . ARG   A 40  ? 0.32618758 0.24375300 0.00741550 -0.01063324 -0.01087671 -0.01264007 151 ARG   A CB    
663  C  CG    . ARG   A 40  ? 0.34762231 0.26040104 0.00757380 -0.02180643 -0.00378413 -0.01716581 151 ARG   A CG    
664  C  CD    . ARG   A 40  ? 0.37038630 0.29054049 0.00716549 -0.03987884 0.00031851  -0.01529931 151 ARG   A CD    
665  N  NE    . ARG   A 40  ? 0.39153004 0.31458852 0.02231456 -0.06074134 0.00214677  -0.02569294 151 ARG   A NE    
666  C  CZ    . ARG   A 40  ? 0.41308138 0.33185431 0.03092498 -0.06024533 -0.01145550 -0.02939317 151 ARG   A CZ    
667  N  NH1   . ARG   A 40  ? 0.40844977 0.35325876 0.01990788 -0.06679700 -0.01002543 -0.02929769 151 ARG   A NH1   
668  N  NH2   . ARG   A 40  ? 0.45685664 0.33468682 0.06063967 -0.06560753 -0.00912279 -0.04174638 151 ARG   A NH2   
669  H  H     . ARG   A 40  ? 0.31182799 0.22640513 0.00637814 -0.00056929 -0.00353619 0.00101619  151 ARG   A H     
670  H  HA    . ARG   A 40  ? 0.31356281 0.23110917 0.00640842 -0.00266618 -0.00480843 -0.00032104 151 ARG   A HA    
671  H  HB2   . ARG   A 40  ? 0.32713217 0.24260883 0.00688757 -0.01104458 -0.00761810 -0.00913163 151 ARG   A HB2   
672  H  HB3   . ARG   A 40  ? 0.32682317 0.24314074 0.00694191 -0.01088789 -0.00749253 -0.00987732 151 ARG   A HB3   
673  H  HG2   . ARG   A 40  ? 0.34554231 0.25895625 0.00693536 -0.02187060 -0.00517413 -0.01113809 151 ARG   A HG2   
674  H  HG3   . ARG   A 40  ? 0.34603712 0.26101875 0.00728941 -0.02224540 -0.00491264 -0.01465519 151 ARG   A HG3   
675  H  HD2   . ARG   A 40  ? 0.36884701 0.28815404 0.00774858 -0.04021455 0.00003724  -0.01982184 151 ARG   A HD2   
676  H  HD3   . ARG   A 40  ? 0.36966881 0.28842139 0.00756047 -0.04062576 -0.00026304 -0.01842986 151 ARG   A HD3   
677  H  HE    . ARG   A 40  ? 0.39256406 0.31399384 0.01992888 -0.05762517 -0.00114458 -0.02410034 151 ARG   A HE    
678  H  HH11  . ARG   A 40  ? 0.40922597 0.34681672 0.02142601 -0.06499557 -0.01075318 -0.02866704 151 ARG   A HH11  
679  H  HH12  . ARG   A 40  ? 0.40864480 0.34646064 0.02242157 -0.06474341 -0.01017525 -0.02786348 151 ARG   A HH12  
680  H  HH21  . ARG   A 40  ? 0.44791925 0.33442557 0.05575848 -0.06485439 -0.00507850 -0.03760472 151 ARG   A HH21  
681  H  HH22  . ARG   A 40  ? 0.44623363 0.33517399 0.05152999 -0.06570546 -0.00816867 -0.03733649 151 ARG   A HH22  
682  N  N     . GLY   A 41  ? 0.30495602 0.24016462 0.00836261 0.00061464  -0.00609033 0.02109764  152 GLY   A N     
683  C  CA    . GLY   A 41  ? 0.30785358 0.24576674 0.00845657 0.00151413  -0.00665198 0.02172446  152 GLY   A CA    
684  C  C     . GLY   A 41  ? 0.29790759 0.24503021 0.00783351 0.00329503  -0.00782485 0.01746422  152 GLY   A C     
685  O  O     . GLY   A 41  ? 0.30562225 0.25567806 0.00675485 -0.00267834 -0.00390968 -0.00958525 152 GLY   A O     
686  H  H     . GLY   A 41  ? 0.30250388 0.23787728 0.00785170 0.00114939  -0.00632609 0.01787664  152 GLY   A H     
687  H  HA2   . GLY   A 41  ? 0.30532053 0.24391703 0.00827056 0.00150484  -0.00700102 0.02049456  152 GLY   A HA2   
688  H  HA3   . GLY   A 41  ? 0.30413774 0.24363464 0.00820675 0.00109102  -0.00744039 0.01998837  152 GLY   A HA3   
689  N  N     . ASN   A 42  ? 0.31098509 0.25601965 0.00816099 -0.00241461 -0.00236590 0.02127691  153 ASN   A N     
690  C  CA    . ASN   A 42  ? 0.31625542 0.26434454 0.00901937 -0.00557750 0.00986921  0.02455899  153 ASN   A CA    
691  C  C     . ASN   A 42  ? 0.31246567 0.26099604 0.00707566 -0.00275300 0.00991382  0.01027739  153 ASN   A C     
692  O  O     . ASN   A 42  ? 0.32496214 0.25396436 0.01020284 -0.00140296 0.02206265  0.02398784  153 ASN   A O     
693  C  CB    . ASN   A 42  ? 0.32561556 0.27274194 0.01047299 -0.00836298 0.01562833  0.02956577  153 ASN   A CB    
694  C  CG    . ASN   A 42  ? 0.32917035 0.27624294 0.01080969 -0.00549903 0.01630332  0.03112064  153 ASN   A CG    
695  O  OD1   . ASN   A 42  ? 0.34519681 0.28039345 0.01020583 -0.01135586 0.01728316  0.02803524  153 ASN   A OD1   
696  N  ND2   . ASN   A 42  ? 0.33185467 0.26587561 0.01968732 0.00281159  0.01488536  0.01758832  153 ASN   A ND2   
697  H  H     . ASN   A 42  ? 0.30779958 0.25209695 0.00775719 -0.00303828 -0.00230211 0.01861773  153 ASN   A H     
698  H  HA    . ASN   A 42  ? 0.31576911 0.26266029 0.00853321 -0.00443515 0.00856705  0.02230842  153 ASN   A HA    
699  H  HB2   . ASN   A 42  ? 0.32039553 0.27109957 0.01028291 -0.00681445 0.01623344  0.02834092  153 ASN   A HB2   
700  H  HB3   . ASN   A 42  ? 0.32315493 0.27119240 0.01017414 -0.00693397 0.01479067  0.02855731  153 ASN   A HB3   
701  H  HD21  . ASN   A 42  ? 0.33057782 0.26832384 0.00911942 0.00063122  0.01593211  0.02294453  153 ASN   A HD21  
702  H  HD22  . ASN   A 42  ? 0.33058155 0.26672867 0.00909177 0.00105269  0.01596253  0.02272009  153 ASN   A HD22  
703  N  N     . ASP   A 43  ? 0.29612347 0.26852030 0.00673150 -0.00378251 0.01064104  -0.00160354 154 ASP   A N     
704  C  CA    . ASP   A 43  ? 0.29590479 0.27373698 0.00773445 0.00178187  0.01448978  0.01354194  154 ASP   A CA    
705  C  C     . ASP   A 43  ? 0.28598231 0.26769686 0.00675326 0.00703822  0.00930550  0.00561939  154 ASP   A C     
706  O  O     . ASP   A 43  ? 0.29937017 0.28225738 0.00696485 0.01737683  0.01207072  -0.00537740 154 ASP   A O     
707  C  CB    . ASP   A 43  ? 0.30105621 0.29107693 0.00786527 -0.00476708 0.01409767  0.01540352  154 ASP   A CB    
708  C  CG    . ASP   A 43  ? 0.29924864 0.29668921 0.00709039 -0.01118280 -0.00226291 0.01473708  154 ASP   A CG    
709  O  OD1   . ASP   A 43  ? 0.31197327 0.30626380 0.00742801 -0.00386655 0.01469243  0.01061696  154 ASP   A OD1   
710  O  OD2   . ASP   A 43  ? 0.29409480 0.31897375 0.02072249 -0.02611768 -0.00958669 0.00821581  154 ASP   A OD2   
711  H  H     . ASP   A 43  ? 0.29891512 0.26461542 0.00682901 -0.00167356 0.01125075  0.00399493  154 ASP   A H     
712  H  HA    . ASP   A 43  ? 0.29486480 0.27316791 0.00724762 0.00115826  0.01271741  0.00977700  154 ASP   A HA    
713  H  HB2   . ASP   A 43  ? 0.29852965 0.28840199 0.00760085 -0.00545741 0.01165221  0.01483529  154 ASP   A HB2   
714  H  HB3   . ASP   A 43  ? 0.29521039 0.28804630 0.00796291 -0.00550865 0.01480369  0.01538555  154 ASP   A HB3   
715  N  N     . VAL   A 44  ? 0.27713597 0.25116223 0.00707487 0.00376144  0.01299650  0.00556770  155 VAL   A N     
716  C  CA    . VAL   A 44  ? 0.27379945 0.24724789 0.00705054 -0.00688560 0.01175789  0.00665482  155 VAL   A CA    
717  C  C     . VAL   A 44  ? 0.26304743 0.23997225 0.00646286 -0.01042873 0.00504437  0.00249076  155 VAL   A C     
718  O  O     . VAL   A 44  ? 0.27103209 0.25960556 0.00679722 -0.00978002 0.00986679  0.00458461  155 VAL   A O     
719  C  CB    . VAL   A 44  ? 0.27881736 0.24679722 0.00680187 -0.00769341 0.01075997  0.00296212  155 VAL   A CB    
720  C  CG1   . VAL   A 44  ? 0.28404856 0.24528046 0.00660344 -0.00740185 0.00080954  -0.00802814 155 VAL   A CG1   
721  C  CG2   . VAL   A 44  ? 0.28977236 0.24788280 0.00649485 -0.01295730 0.00670264  0.00064695  155 VAL   A CG2   
722  H  H     . VAL   A 44  ? 0.27792335 0.25390905 0.00697270 0.00230111  0.01171798  0.00587047  155 VAL   A H     
723  H  HA    . VAL   A 44  ? 0.27355969 0.24643292 0.00688972 -0.00577521 0.01089530  0.00497018  155 VAL   A HA    
724  H  HB    . VAL   A 44  ? 0.27962983 0.24657129 0.00661818 -0.00823219 0.00864335  0.00145405  155 VAL   A HB    
725  H  HG11  . VAL   A 44  ? 0.28311810 0.24536131 0.00649018 -0.00730519 0.00342140  -0.00533803 155 VAL   A HG11  
726  H  HG12  . VAL   A 44  ? 0.28393483 0.24582048 0.00650002 -0.00648246 0.00255355  -0.00592925 155 VAL   A HG12  
727  H  HG13  . VAL   A 44  ? 0.28297254 0.24472208 0.00649688 -0.00717152 0.00344491  -0.00546699 155 VAL   A HG13  
728  H  HG21  . VAL   A 44  ? 0.28715172 0.24742927 0.00658619 -0.01153816 0.00818652  0.00156080  155 VAL   A HG21  
729  H  HG22  . VAL   A 44  ? 0.28706029 0.24747355 0.00659509 -0.01148119 0.00833608  0.00155773  155 VAL   A HG22  
730  H  HG23  . VAL   A 44  ? 0.28791037 0.24758671 0.00658858 -0.01185877 0.00824770  0.00151571  155 VAL   A HG23  
731  N  N     . ALA   A 45  ? 0.26676276 0.23298185 0.00673296 -0.01323836 0.00876043  -0.00533252 156 ALA   A N     
732  C  CA    . ALA   A 45  ? 0.27086270 0.24462749 0.00695300 -0.01677995 0.01150124  0.00461419  156 ALA   A CA    
733  C  C     . ALA   A 45  ? 0.26543456 0.24033916 0.00815801 -0.01862124 0.01712097  0.01147769  156 ALA   A C     
734  O  O     . ALA   A 45  ? 0.26444450 0.24247494 0.00853074 -0.01793809 0.02108991  0.00909652  156 ALA   A O     
735  C  CB    . ALA   A 45  ? 0.28473288 0.24192767 0.02501186 -0.01925191 0.01401575  0.00417865  156 ALA   A CB    
736  H  H     . ALA   A 45  ? 0.26652431 0.23652174 0.00663299 -0.01310755 0.00878310  -0.00139129 156 ALA   A H     
737  H  HA    . ALA   A 45  ? 0.27045634 0.24207978 0.00694890 -0.01708398 0.01174753  0.00393216  156 ALA   A HA    
738  H  HB1   . ALA   A 45  ? 0.28189498 0.24374337 0.01922774 -0.01894028 0.01279675  0.00712998  156 ALA   A HB1   
739  H  HB2   . ALA   A 45  ? 0.28287986 0.24284996 0.01604859 -0.01807580 0.01464055  0.00543389  156 ALA   A HB2   
740  H  HB3   . ALA   A 45  ? 0.28230700 0.24342006 0.01608800 -0.01770029 0.01318105  0.00463977  156 ALA   A HB3   
741  N  N     . PHE   A 46  ? 0.27971643 0.26259661 0.00766567 -0.01945981 0.01877070  0.00202337  157 PHE   A N     
742  C  CA    . PHE   A 46  ? 0.27906016 0.25947496 0.00708032 -0.01166656 0.01403093  0.00195738  157 PHE   A CA    
743  C  C     . PHE   A 46  ? 0.28836143 0.25222805 0.00676686 -0.00765185 0.01066663  0.00246384  157 PHE   A C     
744  O  O     . PHE   A 46  ? 0.29099587 0.24869488 0.00706956 0.00135851  0.01377468  0.00419728  157 PHE   A O     
745  C  CB    . PHE   A 46  ? 0.28194317 0.24600838 0.00721005 -0.01527826 0.01194761  0.00860432  157 PHE   A CB    
746  C  CG    . PHE   A 46  ? 0.27799949 0.24787141 0.00680002 -0.01408285 0.00800536  0.00705211  157 PHE   A CG    
747  C  CD1   . PHE   A 46  ? 0.27695376 0.26603404 0.00761238 -0.01220386 0.00543240  0.01717348  157 PHE   A CD1   
748  C  CD2   . PHE   A 46  ? 0.27626917 0.24917634 0.00774797 -0.00760640 0.00068851  0.01850058  157 PHE   A CD2   
749  C  CE1   . PHE   A 46  ? 0.27464223 0.26842147 0.00667660 -0.00775402 0.00264918  0.00904692  157 PHE   A CE1   
750  C  CE2   . PHE   A 46  ? 0.27652586 0.24951129 0.00885895 -0.01243823 -0.00529047 0.02448776  157 PHE   A CE2   
751  C  CZ    . PHE   A 46  ? 0.27290606 0.25548169 0.00681276 -0.01568738 -0.00159895 0.01090211  157 PHE   A CZ    
752  H  H     . PHE   A 46  ? 0.27433842 0.25674573 0.00760783 -0.01795704 0.01771571  0.00390918  157 PHE   A H     
753  H  HA    . PHE   A 46  ? 0.27944911 0.25594229 0.00707956 -0.01263754 0.01369557  0.00323842  157 PHE   A HA    
754  H  HB2   . PHE   A 46  ? 0.28053010 0.24839441 0.00702733 -0.01481473 0.01144624  0.00661599  157 PHE   A HB2   
755  H  HB3   . PHE   A 46  ? 0.28095263 0.24882747 0.00703318 -0.01446705 0.01145707  0.00673229  157 PHE   A HB3   
756  H  HD1   . PHE   A 46  ? 0.27552724 0.26207560 0.00713782 -0.01131950 0.00485028  0.01333284  157 PHE   A HD1   
757  H  HD2   . PHE   A 46  ? 0.27629998 0.24856706 0.00752075 -0.00961494 0.00139724  0.01685173  157 PHE   A HD2   
758  H  HE1   . PHE   A 46  ? 0.27411216 0.26448312 0.00685664 -0.00988003 0.00257844  0.01124931  157 PHE   A HE1   
759  H  HE2   . PHE   A 46  ? 0.27331346 0.25079367 0.00817943 -0.01130824 -0.00491732 0.02090855  157 PHE   A HE2   
760  H  HZ    . PHE   A 46  ? 0.27376300 0.25538328 0.00685439 -0.01315555 -0.00058156 0.01139985  157 PHE   A HZ    
761  N  N     . HIS   A 47  ? 0.27292016 0.25409287 0.00651429 -0.00376237 0.00617250  -0.00318693 158 HIS   A N     
762  C  CA    . HIS   A 47  ? 0.26948723 0.24429853 0.00670237 0.00031260  0.00925637  0.00325422  158 HIS   A CA    
763  C  C     . HIS   A 47  ? 0.25472149 0.23368156 0.00674079 0.00546177  0.00983601  0.00227840  158 HIS   A C     
764  O  O     . HIS   A 47  ? 0.25246447 0.24994175 0.00637088 0.00193381  -0.00281391 0.00120012  158 HIS   A O     
765  C  CB    . HIS   A 47  ? 0.27328047 0.24073562 0.00657359 0.00135668  0.00801552  -0.00023790 158 HIS   A CB    
766  C  CG    . HIS   A 47  ? 0.28140137 0.23478736 0.00653331 0.00436131  0.00720021  0.00178734  158 HIS   A CG    
767  N  ND1   . HIS   A 47  ? 0.28607976 0.22194798 0.00647371 0.00053220  0.00613092  0.00122002  158 HIS   A ND1   
768  C  CD2   . HIS   A 47  ? 0.28310406 0.23608841 0.00634117 0.00089642  0.00123584  -0.00083686 158 HIS   A CD2   
769  C  CE1   . HIS   A 47  ? 0.28971827 0.22767837 0.00658028 -0.00075690 0.00737120  0.00350016  158 HIS   A CE1   
770  N  NE2   . HIS   A 47  ? 0.29085350 0.22527125 0.00638895 0.00371989  0.00384591  -0.00092954 158 HIS   A NE2   
771  H  H     . HIS   A 47  ? 0.27365515 0.25096786 0.00655987 -0.00367983 0.00779055  -0.00035477 158 HIS   A H     
772  H  HA    . HIS   A 47  ? 0.26814675 0.24348342 0.00662175 0.00045435  0.00864006  0.00099447  158 HIS   A HA    
773  H  HB2   . HIS   A 47  ? 0.27271107 0.23849632 0.00677012 0.00276541  0.01060298  -0.00178660 158 HIS   A HB2   
774  H  HB3   . HIS   A 47  ? 0.27317527 0.23962036 0.00661588 0.00193014  0.00868428  0.00045976  158 HIS   A HB3   
775  H  HD1   . HIS   A 47  ? 0.16490023 0.16490023 0.16490023 0.00000000  0.00000000  0.00000000  158 HIS   A HD1   
776  H  HD2   . HIS   A 47  ? 0.28427833 0.23351452 0.00636748 0.00222398  0.00308130  -0.00038604 158 HIS   A HD2   
777  H  HE1   . HIS   A 47  ? 0.28963426 0.22571176 0.00650281 0.00023988  0.00648219  0.00219826  158 HIS   A HE1   
778  H  HE2   . HIS   A 47  ? 0.17153674 0.17153674 0.17153674 0.00000000  0.00000000  0.00000000  158 HIS   A HE2   
779  N  N     . PHE   A 48  ? 0.25211841 0.23324464 0.00778251 0.00457615  0.01677523  -0.00800518 159 PHE   A N     
780  C  CA    . PHE   A 48  ? 0.25380135 0.23979534 0.00792502 0.00604677  0.01984786  0.00085112  159 PHE   A CA    
781  C  C     . PHE   A 48  ? 0.27293679 0.24439527 0.00663098 0.00857814  0.00843442  0.00301115  159 PHE   A C     
782  O  O     . PHE   A 48  ? 0.27550742 0.22233619 0.00710322 0.01280672  0.01282244  -0.00525740 159 PHE   A O     
783  C  CB    . PHE   A 48  ? 0.25061446 0.22487478 0.00761879 0.00364881  0.01770597  -0.00052562 159 PHE   A CB    
784  C  CG    . PHE   A 48  ? 0.25141349 0.23085836 0.00738247 -0.00027151 0.01587571  0.00217954  159 PHE   A CG    
785  C  CD1   . PHE   A 48  ? 0.25407675 0.23414896 0.00689307 -0.00368503 0.01161038  -0.00210398 159 PHE   A CD1   
786  C  CD2   . PHE   A 48  ? 0.25474140 0.24227616 0.00769621 -0.00389064 0.01525704  0.00979182  159 PHE   A CD2   
787  C  CE1   . PHE   A 48  ? 0.26104963 0.23480894 0.00717153 -0.00170164 0.01453248  0.00140102  159 PHE   A CE1   
788  C  CE2   . PHE   A 48  ? 0.26178613 0.24236615 0.00689608 -0.00910629 0.01154046  0.00274057  159 PHE   A CE2   
789  C  CZ    . PHE   A 48  ? 0.26351425 0.23960467 0.00735024 -0.00396542 0.01313921  0.00878530  159 PHE   A CZ    
790  H  H     . PHE   A 48  ? 0.25239304 0.23433280 0.00741723 0.00507241  0.01579843  -0.00367704 159 PHE   A H     
791  H  HA    . PHE   A 48  ? 0.25417808 0.23708504 0.00748457 0.00583474  0.01687238  -0.00048629 159 PHE   A HA    
792  H  HB2   . PHE   A 48  ? 0.25103348 0.22792087 0.00761901 0.00266731  0.01774237  0.00019410  159 PHE   A HB2   
793  H  HB3   . PHE   A 48  ? 0.25144073 0.22875093 0.00760690 0.00297327  0.01767313  0.00029046  159 PHE   A HB3   
794  H  HD1   . PHE   A 48  ? 0.25401241 0.23316197 0.00700409 -0.00327724 0.01289063  -0.00054350 159 PHE   A HD1   
795  H  HD2   . PHE   A 48  ? 0.25351435 0.23951794 0.00753027 -0.00443840 0.01559440  0.00678066  159 PHE   A HD2   
796  H  HE1   . PHE   A 48  ? 0.25933895 0.23597321 0.00712165 -0.00262754 0.01387400  0.00240374  159 PHE   A HE1   
797  H  HE2   . PHE   A 48  ? 0.25981987 0.24098867 0.00708964 -0.00742397 0.01255353  0.00526579  159 PHE   A HE2   
798  H  HZ    . PHE   A 48  ? 0.26224265 0.23762800 0.00704551 -0.00452309 0.01320188  0.00248124  159 PHE   A HZ    
799  N  N     . ASN   A 49  ? 0.27789402 0.25337344 0.00669719 0.00905123  0.00967339  -0.00190074 160 ASN   A N     
800  C  CA    . ASN   A 49  ? 0.28038552 0.25204861 0.00733791 0.01107385  0.00867702  -0.01303568 160 ASN   A CA    
801  C  C     . ASN   A 49  ? 0.27719566 0.24467929 0.00912520 0.01789980  0.01694504  -0.01915085 160 ASN   A C     
802  O  O     . ASN   A 49  ? 0.28121489 0.25243694 0.00705508 0.02283764  0.00092387  -0.01317771 160 ASN   A O     
803  C  CB    . ASN   A 49  ? 0.28415343 0.25338998 0.00725967 0.00996251  0.00901201  -0.01219062 160 ASN   A CB    
804  C  CG    . ASN   A 49  ? 0.28814915 0.25295284 0.00753942 0.01603938  0.00391578  -0.01660451 160 ASN   A CG    
805  O  OD1   . ASN   A 49  ? 0.29921463 0.25488776 0.02122530 0.02538568  0.00524323  -0.02377611 160 ASN   A OD1   
806  N  ND2   . ASN   A 49  ? 0.29514045 0.23587352 0.01227650 0.00799971  0.00136295  -0.00381565 160 ASN   A ND2   
807  H  H     . ASN   A 49  ? 0.27648014 0.25024536 0.00669543 0.00944874  0.00927920  -0.00295381 160 ASN   A H     
808  H  HA    . ASN   A 49  ? 0.27964148 0.25020072 0.00731593 0.01142009  0.01015333  -0.01172206 160 ASN   A HA    
809  H  HB2   . ASN   A 49  ? 0.28259948 0.25085497 0.00761204 0.01265147  0.00930360  -0.01492603 160 ASN   A HB2   
810  H  HB3   . ASN   A 49  ? 0.28332496 0.25233373 0.00738342 0.01167844  0.00820490  -0.01373674 160 ASN   A HB3   
811  H  HD21  . ASN   A 49  ? 0.29300991 0.24021997 0.00664479 0.00982121  0.00248862  -0.00815318 160 ASN   A HD21  
812  H  HD22  . ASN   A 49  ? 0.29301259 0.23765226 0.00661296 0.00987454  0.00226738  -0.00770774 160 ASN   A HD22  
813  N  N     . PRO   A 50  ? 0.27381387 0.23351389 0.00791623 0.01443240  0.00483859  -0.01814341 161 PRO   A N     
814  C  CA    . PRO   A 50  ? 0.27568719 0.23386367 0.00899928 0.01911084  0.00796646  -0.02288370 161 PRO   A CA    
815  C  C     . PRO   A 50  ? 0.28533882 0.24145383 0.00702882 0.02496240  -0.00097332 -0.01278970 161 PRO   A C     
816  O  O     . PRO   A 50  ? 0.28926265 0.24677183 0.02191235 0.01914901  0.00895330  -0.00062520 161 PRO   A O     
817  C  CB    . PRO   A 50  ? 0.28249294 0.23917319 0.00670991 0.01586851  0.00376010  -0.00848108 161 PRO   A CB    
818  C  CG    . PRO   A 50  ? 0.27421847 0.23578300 0.00787305 0.01737305  0.00402478  -0.01812154 161 PRO   A CG    
819  C  CD    . PRO   A 50  ? 0.26999986 0.23446424 0.00966180 0.01631147  0.01281929  -0.02399778 161 PRO   A CD    
820  H  HA    . PRO   A 50  ? 0.27687326 0.23587854 0.00792745 0.01862432  0.00568054  -0.01796174 161 PRO   A HA    
821  H  HB2   . PRO   A 50  ? 0.27967992 0.23726010 0.00722471 0.01710318  0.00427947  -0.01350406 161 PRO   A HB2   
822  H  HB3   . PRO   A 50  ? 0.27965981 0.23720090 0.00719425 0.01692486  0.00372472  -0.01342089 161 PRO   A HB3   
823  H  HG2   . PRO   A 50  ? 0.27402318 0.23597933 0.00783979 0.01700728  0.00567294  -0.01744463 161 PRO   A HG2   
824  H  HG3   . PRO   A 50  ? 0.27472645 0.23619723 0.00786862 0.01715204  0.00561010  -0.01765737 161 PRO   A HG3   
825  H  HD2   . PRO   A 50  ? 0.27033040 0.23428422 0.00880922 0.01553448  0.01009177  -0.02119388 161 PRO   A HD2   
826  H  HD3   . PRO   A 50  ? 0.27113268 0.23407918 0.00880559 0.01583830  0.00961041  -0.02137448 161 PRO   A HD3   
827  N  N     . ARG   A 51  ? 0.30111638 0.23340489 0.00784526 0.02711376  -0.00994562 -0.01717386 162 ARG   A N     
828  C  CA    . ARG   A 51  ? 0.30731261 0.24425550 0.02774242 0.02166885  -0.00759260 -0.01489327 162 ARG   A CA    
829  C  C     . ARG   A 51  ? 0.31542331 0.24831252 0.03463374 0.02585383  0.00333180  -0.02103611 162 ARG   A C     
830  O  O     . ARG   A 51  ? 0.31507713 0.25570703 0.03855536 0.01028458  0.00324318  -0.02562256 162 ARG   A O     
831  C  CB    . ARG   A 51  ? 0.31119135 0.24837147 0.01782449 0.02632033  -0.00804505 -0.02046194 162 ARG   A CB    
832  C  CG    . ARG   A 51  ? 0.31366202 0.25368986 0.01523779 0.02736926  -0.01295670 -0.01945489 162 ARG   A CG    
833  C  CD    . ARG   A 51  ? 0.31993011 0.25961879 0.02610197 0.02811614  -0.01762212 -0.02297102 162 ARG   A CD    
834  N  NE    . ARG   A 51  ? 0.31485960 0.26279193 0.00763769 0.03334419  -0.01445966 -0.01415835 162 ARG   A NE    
835  C  CZ    . ARG   A 51  ? 0.32419264 0.26204470 0.00754748 0.03816657  -0.01044417 -0.01604987 162 ARG   A CZ    
836  N  NH1   . ARG   A 51  ? 0.33128884 0.27237880 0.00889001 0.04839294  -0.01656014 -0.02352615 162 ARG   A NH1   
837  N  NH2   . ARG   A 51  ? 0.33416930 0.26108032 0.00746336 0.04091545  -0.00524059 -0.01682122 162 ARG   A NH2   
838  H  H     . ARG   A 51  ? 0.29963043 0.23725270 0.00761055 0.02613312  -0.00792654 -0.01630001 162 ARG   A H     
839  H  HA    . ARG   A 51  ? 0.30764562 0.24360937 0.02235226 0.02400788  -0.00628044 -0.01731258 162 ARG   A HA    
840  H  HB2   . ARG   A 51  ? 0.31064644 0.24833156 0.01933013 0.02575511  -0.00886836 -0.01920166 162 ARG   A HB2   
841  H  HB3   . ARG   A 51  ? 0.31083465 0.24844445 0.01938568 0.02577793  -0.00893607 -0.01928646 162 ARG   A HB3   
842  H  HG2   . ARG   A 51  ? 0.31338158 0.25346917 0.01834767 0.02721193  -0.01268049 -0.02040008 162 ARG   A HG2   
843  H  HG3   . ARG   A 51  ? 0.31366062 0.25321370 0.01829715 0.02730669  -0.01282567 -0.02039265 162 ARG   A HG3   
844  H  HD2   . ARG   A 51  ? 0.31897631 0.25945002 0.01974363 0.02934246  -0.01734359 -0.02075754 162 ARG   A HD2   
845  H  HD3   . ARG   A 51  ? 0.31781054 0.26022336 0.01933499 0.02915372  -0.01653129 -0.02095053 162 ARG   A HD3   
846  H  HE    . ARG   A 51  ? 0.31765309 0.26132017 0.00785655 0.03369521  -0.01387122 -0.01659093 162 ARG   A HE    
847  H  HH11  . ARG   A 51  ? 0.32795775 0.26885229 0.00854976 0.04566068  -0.01566585 -0.02151937 162 ARG   A HH11  
848  H  HH12  . ARG   A 51  ? 0.32848814 0.26748824 0.00865334 0.04560867  -0.01479710 -0.02253963 162 ARG   A HH12  
849  H  HH21  . ARG   A 51  ? 0.33259201 0.26179922 0.00745259 0.04035706  -0.00555120 -0.01671406 162 ARG   A HH21  
850  H  HH22  . ARG   A 51  ? 0.33142963 0.26169100 0.00746774 0.04004411  -0.00660990 -0.01664511 162 ARG   A HH22  
851  N  N     . PHE   A 52  ? 0.32706779 0.27063972 0.01996829 0.02384325  0.00669299  -0.02736646 163 PHE   A N     
852  C  CA    . PHE   A 52  ? 0.35217378 0.27835673 0.03104170 0.03575332  -0.01705167 -0.03436620 163 PHE   A CA    
853  C  C     . PHE   A 52  ? 0.37623692 0.27974474 0.05689568 0.04058577  -0.02158995 -0.04117476 163 PHE   A C     
854  O  O     . PHE   A 52  ? 0.40397316 0.26983994 0.06280286 0.04436831  -0.01242148 -0.04432665 163 PHE   A O     
855  C  CB    . PHE   A 52  ? 0.35105336 0.28157082 0.05215452 0.02735937  -0.01139950 -0.03309163 163 PHE   A CB    
856  C  CG    . PHE   A 52  ? 0.33278313 0.29614878 0.06094265 0.02275035  -0.02006518 -0.02564488 163 PHE   A CG    
857  C  CD1   . PHE   A 52  ? 0.33110055 0.31110406 0.05333598 0.02135693  -0.01146641 -0.02625458 163 PHE   A CD1   
858  C  CD2   . PHE   A 52  ? 0.32728878 0.31885415 0.06039466 0.01738985  -0.01727359 -0.02281569 163 PHE   A CD2   
859  C  CE1   . PHE   A 52  ? 0.33942938 0.31785315 0.05512604 0.02560359  0.00525340  -0.01259018 163 PHE   A CE1   
860  C  CE2   . PHE   A 52  ? 0.33479974 0.31512761 0.05413125 0.01453274  -0.00920331 -0.01138704 163 PHE   A CE2   
861  C  CZ    . PHE   A 52  ? 0.34543467 0.31633276 0.05864385 0.01590413  0.00157765  -0.00157545 163 PHE   A CZ    
862  H  H     . PHE   A 52  ? 0.32594609 0.26674613 0.02172811 0.02563493  0.00450319  -0.02631514 163 PHE   A H     
863  H  HA    . PHE   A 52  ? 0.35056949 0.27796477 0.03658382 0.03350895  -0.01213794 -0.03397629 163 PHE   A HA    
864  H  HB2   . PHE   A 52  ? 0.34807169 0.28329405 0.04976844 0.02828248  -0.01444281 -0.03209050 163 PHE   A HB2   
865  H  HB3   . PHE   A 52  ? 0.34826741 0.28309870 0.04913290 0.02834493  -0.01439693 -0.03216382 163 PHE   A HB3   
866  H  HD1   . PHE   A 52  ? 0.33326671 0.30861002 0.05353544 0.02254316  -0.01024496 -0.02288211 163 PHE   A HD1   
867  H  HD2   . PHE   A 52  ? 0.33097291 0.31471398 0.06014947 0.01761322  -0.01642500 -0.02100172 163 PHE   A HD2   
868  H  HE1   . PHE   A 52  ? 0.33833677 0.31528598 0.05537366 0.02307428  0.00077123  -0.01415288 163 PHE   A HE1   
869  H  HE2   . PHE   A 52  ? 0.33428180 0.31581610 0.05457889 0.01565798  -0.00933740 -0.01141246 163 PHE   A HE2   
870  H  HZ    . PHE   A 52  ? 0.34213632 0.31636065 0.05677211 0.01722976  0.00007702  -0.00630299 163 PHE   A HZ    
871  N  N     . ASN   A 53  ? 0.39108312 0.29111800 0.06647847 0.04955148  -0.01817540 -0.02359961 164 ASN   A N     
872  C  CA    . ASN   A 53  ? 0.41688973 0.31397957 0.11001617 0.06100389  -0.01569307 -0.01258139 164 ASN   A CA    
873  C  C     . ASN   A 53  ? 0.42171210 0.33038878 0.08847105 0.05685769  -0.00599169 0.00128137  164 ASN   A C     
874  O  O     . ASN   A 53  ? 0.46603733 0.35437590 0.15885103 0.04011872  -0.00555829 0.05065303  164 ASN   A O     
875  C  CB    . ASN   A 53  ? 0.45201975 0.34218913 0.19827239 0.05591448  -0.01081146 -0.00089962 164 ASN   A CB    
876  C  CG    . ASN   A 53  ? 0.49363279 0.36837721 0.27134120 0.06658959  -0.00202628 0.00802606  164 ASN   A CG    
877  O  OD1   . ASN   A 53  ? 0.51960737 0.42505401 0.32084703 0.08567813  0.05244654  0.03312081  164 ASN   A OD1   
878  N  ND2   . ASN   A 53  ? 0.53453624 0.38523576 0.33905938 0.05147534  -0.00142006 0.01276979  164 ASN   A ND2   
879  H  H     . ASN   A 53  ? 0.39026210 0.29102135 0.07003252 0.04928441  -0.01795252 -0.02591067 164 ASN   A H     
880  H  HA    . ASN   A 53  ? 0.41634631 0.31455988 0.10891552 0.05778612  -0.01470110 -0.01085313 164 ASN   A HA    
881  H  HB2   . ASN   A 53  ? 0.45096898 0.33808336 0.19062787 0.05875896  -0.00854031 -0.00153638 164 ASN   A HB2   
882  H  HB3   . ASN   A 53  ? 0.45115274 0.33849967 0.19214061 0.05858290  -0.01257619 -0.00065300 164 ASN   A HB3   
883  H  HD21  . ASN   A 53  ? 0.53057563 0.38092828 0.31901556 0.05513460  -0.00256216 0.01273104  164 ASN   A HD21  
884  H  HD22  . ASN   A 53  ? 0.52738196 0.38522428 0.31969684 0.05398987  -0.00136437 0.01266868  164 ASN   A HD22  
885  N  N     . GLU   A 54  ? 0.41298792 0.31389543 0.05105258 0.06424893  -0.01149301 0.00276824  165 GLU   A N     
886  C  CA    . GLU   A 54  ? 0.42188415 0.30289397 0.01431517 0.06300995  -0.00361853 -0.01920832 165 GLU   A CA    
887  C  C     . GLU   A 54  ? 0.43064639 0.30292892 0.01305885 0.07405958  -0.01325014 -0.02460703 165 GLU   A C     
888  O  O     . GLU   A 54  ? 0.44388026 0.30994117 0.02704801 0.07067521  0.00708541  -0.02009395 165 GLU   A O     
889  C  CB    . GLU   A 54  ? 0.43081003 0.30757207 0.04941516 0.06929376  -0.00361441 -0.02520576 165 GLU   A CB    
890  C  CG    . GLU   A 54  ? 0.42914855 0.31668496 0.04060433 0.07186130  0.00000700  -0.02339731 165 GLU   A CG    
891  C  CD    . GLU   A 54  ? 0.42996800 0.32150781 0.04456713 0.06988582  -0.00783070 -0.02963621 165 GLU   A CD    
892  O  OE1   . GLU   A 54  ? 0.42462030 0.34298891 0.09180687 0.06417987  0.00946154  -0.04598320 165 GLU   A OE1   
893  O  OE2   . GLU   A 54  ? 0.45724118 0.34857211 0.05893629 0.06219713  -0.00494770 -0.05048195 165 GLU   A OE2   
894  H  H     . GLU   A 54  ? 0.41677335 0.31247637 0.04871587 0.06259774  -0.00856209 -0.00056104 165 GLU   A H     
895  H  HA    . GLU   A 54  ? 0.42228159 0.30372691 0.02248324 0.06464929  -0.00460141 -0.01330994 165 GLU   A HA    
896  H  HB2   . GLU   A 54  ? 0.42941666 0.30832851 0.04056932 0.06865218  -0.00366870 -0.02414293 165 GLU   A HB2   
897  H  HB3   . GLU   A 54  ? 0.42984802 0.30912784 0.04341211 0.06957223  -0.00488095 -0.02574414 165 GLU   A HB3   
898  H  HG2   . GLU   A 54  ? 0.42851737 0.31556475 0.04289403 0.07106567  -0.00213956 -0.02441689 165 GLU   A HG2   
899  H  HG3   . GLU   A 54  ? 0.42776054 0.31540772 0.04207836 0.07016787  -0.00109349 -0.02404215 165 GLU   A HG3   
900  N  N     . ASN   A 55  ? 0.42965734 0.31441632 0.03303454 0.07000931  -0.01019166 -0.01477585 166 ASN   A N     
901  C  CA    . ASN   A 55  ? 0.42381072 0.32456994 0.04253779 0.07192845  -0.00832010 -0.02139096 166 ASN   A CA    
902  C  C     . ASN   A 55  ? 0.40502957 0.30407208 0.04755487 0.06641461  -0.01187133 -0.02855040 166 ASN   A C     
903  O  O     . ASN   A 55  ? 0.38650471 0.31325865 0.05407146 0.06158587  -0.00969481 -0.02247847 166 ASN   A O     
904  C  CB    . ASN   A 55  ? 0.43864676 0.35676849 0.08056662 0.07241806  -0.01091792 -0.01964976 166 ASN   A CB    
905  C  CG    . ASN   A 55  ? 0.46674821 0.40856743 0.12417313 0.09390809  -0.00539574 -0.02628776 166 ASN   A CG    
906  O  OD1   . ASN   A 55  ? 0.50109750 0.48759371 0.18645641 0.09387390  0.03080522  -0.03732731 166 ASN   A OD1   
907  N  ND2   . ASN   A 55  ? 0.47665319 0.41367769 0.07842724 0.10184497  -0.00551944 -0.03660310 166 ASN   A ND2   
908  H  H     . ASN   A 55  ? 0.42811593 0.31312841 0.03076269 0.07124444  -0.01023384 -0.01825532 166 ASN   A H     
909  H  HA    . ASN   A 55  ? 0.42390439 0.32406449 0.04704410 0.07109237  -0.00937438 -0.02096020 166 ASN   A HA    
910  H  HB2   . ASN   A 55  ? 0.43896288 0.35637301 0.08098695 0.07606642  -0.00909997 -0.02143949 166 ASN   A HB2   
911  H  HB3   . ASN   A 55  ? 0.43914899 0.35609218 0.07951415 0.07582150  -0.00895360 -0.02092548 166 ASN   A HB3   
912  H  HD21  . ASN   A 55  ? 0.47259274 0.41046366 0.08892538 0.09994571  -0.00601824 -0.03340503 166 ASN   A HD21  
913  H  HD22  . ASN   A 55  ? 0.47287443 0.41183534 0.08976791 0.10123755  -0.00518689 -0.03409649 166 ASN   A HD22  
914  N  N     . ASN   A 56  ? 0.41217008 0.29518020 0.06316393 0.06134732  -0.02204294 -0.04208663 167 ASN   A N     
915  C  CA    . ASN   A 56  ? 0.43644789 0.30697474 0.07078314 0.06235900  -0.03572840 -0.04860564 167 ASN   A CA    
916  C  C     . ASN   A 56  ? 0.45802706 0.31546283 0.07058994 0.07285034  -0.02955401 -0.04399224 167 ASN   A C     
917  O  O     . ASN   A 56  ? 0.51645660 0.33833623 0.07281398 0.07559305  -0.02375926 -0.04999594 167 ASN   A O     
918  C  CB    . ASN   A 56  ? 0.43494797 0.29824555 0.08334642 0.05514849  -0.04921881 -0.06107891 167 ASN   A CB    
919  C  CG    . ASN   A 56  ? 0.44529265 0.29835540 0.15423819 0.05416197  -0.04521585 -0.04301929 167 ASN   A CG    
920  O  OD1   . ASN   A 56  ? 0.48899421 0.30718407 0.11522363 0.06509888  -0.03940375 -0.04992983 167 ASN   A OD1   
921  N  ND2   . ASN   A 56  ? 0.44913587 0.30340290 0.22916962 0.05583256  -0.04308084 -0.01074511 167 ASN   A ND2   
922  H  H     . ASN   A 56  ? 0.41497585 0.29943666 0.06048742 0.06266114  -0.02203855 -0.03998003 167 ASN   A H     
923  H  HA    . ASN   A 56  ? 0.43557417 0.30585444 0.07393791 0.06288740  -0.03366417 -0.04776757 167 ASN   A HA    
924  H  HB2   . ASN   A 56  ? 0.43582180 0.29983190 0.09118601 0.05636295  -0.04609897 -0.05518799 167 ASN   A HB2   
925  H  HB3   . ASN   A 56  ? 0.43686098 0.29965687 0.08229297 0.05613939  -0.04839810 -0.05704326 167 ASN   A HB3   
926  H  HD21  . ASN   A 56  ? 0.44863671 0.30248675 0.20395674 0.05465842  -0.04222692 -0.02215376 167 ASN   A HD21  
927  H  HD22  . ASN   A 56  ? 0.44818527 0.30193222 0.20489158 0.05562866  -0.04362416 -0.02107161 167 ASN   A HD22  
928  N  N     . ARG   A 57  ? 0.47071216 0.32149547 0.06017412 0.09058850  0.00134282  -0.02908602 168 ARG   A N     
929  C  CA    . ARG   A 57  ? 0.47482702 0.33119702 0.11496557 0.09311213  0.01790291  -0.00614788 168 ARG   A CA    
930  C  C     . ARG   A 57  ? 0.43430310 0.30864111 0.03132488 0.06854823  0.00524989  -0.02349982 168 ARG   A C     
931  O  O     . ARG   A 57  ? 0.44147012 0.32912046 0.03767576 0.07078590  0.00922767  -0.02052218 168 ARG   A O     
932  C  CB    . ARG   A 57  ? 0.49351412 0.39600939 0.15098414 0.08900420  0.02596037  0.00714795  168 ARG   A CB    
933  C  CG    . ARG   A 57  ? 0.50992960 0.41429800 0.09249330 0.11086695  0.04275814  0.00176168  168 ARG   A CG    
934  C  CD    . ARG   A 57  ? 0.52349001 0.45751202 0.13859315 0.10430905  0.03852678  -0.01095693 168 ARG   A CD    
935  N  NE    . ARG   A 57  ? 0.54819816 0.48082167 0.17298430 0.09186251  0.04006450  -0.03562786 168 ARG   A NE    
936  C  CZ    . ARG   A 57  ? 0.54494703 0.48894531 0.13629487 0.09001179  0.04084450  -0.04282320 168 ARG   A CZ    
937  N  NH1   . ARG   A 57  ? 0.58641660 0.50459421 0.15574513 0.09173191  0.04420950  -0.02801970 168 ARG   A NH1   
938  N  NH2   . ARG   A 57  ? 0.53757674 0.50811213 0.10496868 0.08156264  0.03133342  -0.03285307 168 ARG   A NH2   
939  H  H     . ARG   A 57  ? 0.46663716 0.32036370 0.06119175 0.08666660  -0.00247916 -0.03043207 168 ARG   A H     
940  H  HA    . ARG   A 57  ? 0.47254708 0.33268666 0.10164323 0.09124875  0.02095158  -0.00666683 168 ARG   A HA    
941  H  HB2   . ARG   A 57  ? 0.49242276 0.38943613 0.13701101 0.09259766  0.02710680  -0.00079769 168 ARG   A HB2   
942  H  HB3   . ARG   A 57  ? 0.49556452 0.39329839 0.13527690 0.09050968  0.02613081  0.00450827  168 ARG   A HB3   
943  H  HG2   . ARG   A 57  ? 0.50717640 0.41336316 0.10074296 0.10515974  0.04231714  0.00498983  168 ARG   A HG2   
944  H  HG3   . ARG   A 57  ? 0.50929999 0.41523954 0.10994668 0.10693651  0.03996059  0.00203043  168 ARG   A HG3   
945  H  HD2   . ARG   A 57  ? 0.52541965 0.45408642 0.13658567 0.10392140  0.04051796  -0.01274736 168 ARG   A HD2   
946  H  HD3   . ARG   A 57  ? 0.52522218 0.45411375 0.13734922 0.10379779  0.03981245  -0.01349676 168 ARG   A HD3   
947  H  HE    . ARG   A 57  ? 0.54308128 0.47848272 0.15706088 0.09546322  0.04045357  -0.03202818 168 ARG   A HE    
948  H  HH11  . ARG   A 57  ? 0.58095115 0.50080907 0.14862980 0.09050792  0.04343523  -0.03124867 168 ARG   A HH11  
949  H  HH12  . ARG   A 57  ? 0.57889742 0.50064492 0.14923413 0.09316947  0.04379475  -0.03156761 168 ARG   A HH12  
950  H  HH21  . ARG   A 57  ? 0.53987038 0.50443697 0.11379182 0.08366980  0.03372066  -0.03522862 168 ARG   A HH21  
951  H  HH22  . ARG   A 57  ? 0.53870702 0.50554556 0.11399745 0.08404581  0.03387499  -0.03488050 168 ARG   A HH22  
952  N  N     . ARG   A 58  ? 0.40102035 0.28633967 0.01196170 0.06315444  0.00339509  -0.02977508 169 ARG   A N     
953  C  CA    . ARG   A 58  ? 0.38528353 0.27789995 0.01854771 0.05167621  -0.00262620 -0.04969080 169 ARG   A CA    
954  C  C     . ARG   A 58  ? 0.35018083 0.28274956 0.03355124 0.04709467  0.00712656  -0.04849868 169 ARG   A C     
955  O  O     . ARG   A 58  ? 0.36195523 0.33051926 0.02106790 0.03015536  0.01654981  -0.06561606 169 ARG   A O     
956  C  CB    . ARG   A 58  ? 0.41283166 0.28359050 0.04472933 0.05799466  -0.02281795 -0.04169256 169 ARG   A CB    
957  C  CG    . ARG   A 58  ? 0.42836684 0.30058745 0.04287935 0.05148604  -0.03024627 -0.05043234 169 ARG   A CG    
958  C  CD    . ARG   A 58  ? 0.44256914 0.31727782 0.06774668 0.05135667  -0.04253321 -0.04616699 169 ARG   A CD    
959  N  NE    . ARG   A 58  ? 0.45455748 0.33055884 0.05426537 0.05162997  -0.04947740 -0.04950976 169 ARG   A NE    
960  C  CZ    . ARG   A 58  ? 0.47618252 0.34098005 0.05139708 0.06465099  -0.03892972 -0.03046643 169 ARG   A CZ    
961  N  NH1   . ARG   A 58  ? 0.49056032 0.36180654 0.05059314 0.06868201  -0.03792547 -0.00882035 169 ARG   A NH1   
962  N  NH2   . ARG   A 58  ? 0.48145947 0.38312948 0.12253951 0.06074823  -0.03405504 -0.02079917 169 ARG   A NH2   
963  H  H     . ARG   A 58  ? 0.40278792 0.28914970 0.01455685 0.06256286  0.00540970  -0.03237423 169 ARG   A H     
964  H  HA    . ARG   A 58  ? 0.38367453 0.28083500 0.02361529 0.05332381  -0.00171217 -0.04363959 169 ARG   A HA    
965  H  HB2   . ARG   A 58  ? 0.41204858 0.28629249 0.04110171 0.05610622  -0.02111511 -0.04547584 169 ARG   A HB2   
966  H  HB3   . ARG   A 58  ? 0.40983236 0.28515416 0.03894399 0.05536905  -0.01997355 -0.04447521 169 ARG   A HB3   
967  H  HG2   . ARG   A 58  ? 0.42711490 0.29975125 0.04732895 0.05269072  -0.03021060 -0.04756139 169 ARG   A HG2   
968  H  HG3   . ARG   A 58  ? 0.42783219 0.30061734 0.04839773 0.05318221  -0.03015881 -0.04829254 169 ARG   A HG3   
969  H  HD2   . ARG   A 58  ? 0.44291285 0.31695056 0.06056743 0.05070928  -0.04202510 -0.04639245 169 ARG   A HD2   
970  H  HD3   . ARG   A 58  ? 0.44223794 0.31671265 0.06008913 0.05141512  -0.04153288 -0.04675041 169 ARG   A HD3   
971  H  HE    . ARG   A 58  ? 0.45562473 0.32944494 0.05630901 0.05410479  -0.04510486 -0.04433613 169 ARG   A HE    
972  H  HH11  . ARG   A 58  ? 0.48578182 0.35573107 0.05140086 0.06756152  -0.03852518 -0.01506842 169 ARG   A HH11  
973  H  HH12  . ARG   A 58  ? 0.48716629 0.35534999 0.05128239 0.06755026  -0.03844141 -0.01558335 169 ARG   A HH12  
974  H  HH21  . ARG   A 58  ? 0.48347291 0.37240863 0.10305693 0.06012386  -0.03260583 -0.02692144 169 ARG   A HH21  
975  H  HH22  . ARG   A 58  ? 0.48049301 0.37238374 0.10376390 0.06301913  -0.03742167 -0.02865914 169 ARG   A HH22  
976  N  N     . VAL   A 59  ? 0.32675239 0.27588105 0.00975581 0.04337844  0.00443152  -0.02917358 170 VAL   A N     
977  C  CA    . VAL   A 59  ? 0.32493618 0.27106380 0.01747836 0.04039392  0.00227587  -0.03345413 170 VAL   A CA    
978  C  C     . VAL   A 59  ? 0.30933553 0.26485622 0.01352907 0.03354294  -0.00410729 -0.04311092 170 VAL   A C     
979  O  O     . VAL   A 59  ? 0.30442363 0.25237390 0.07086536 0.02509183  -0.00135918 -0.04350299 170 VAL   A O     
980  C  CB    . VAL   A 59  ? 0.33247560 0.28205925 0.04442716 0.03849966  -0.01345953 -0.03555519 170 VAL   A CB    
981  C  CG1   . VAL   A 59  ? 0.34338856 0.28956482 0.04715861 0.03816513  -0.01808904 -0.03220834 170 VAL   A CG1   
982  C  CG2   . VAL   A 59  ? 0.33934513 0.30155364 0.07668380 0.03284603  -0.00893073 -0.02956133 170 VAL   A CG2   
983  H  H     . VAL   A 59  ? 0.32915798 0.27584383 0.01329000 0.04310759  0.00609736  -0.03423005 170 VAL   A H     
984  H  HA    . VAL   A 59  ? 0.32333556 0.27212548 0.01652392 0.03926779  0.00014170  -0.03411348 170 VAL   A HA    
985  H  HB    . VAL   A 59  ? 0.33340442 0.28348804 0.04506354 0.03863108  -0.01026817 -0.03384599 170 VAL   A HB    
986  H  HG11  . VAL   A 59  ? 0.34105167 0.28837860 0.04694154 0.03766688  -0.01708288 -0.03220481 170 VAL   A HG11  
987  H  HG12  . VAL   A 59  ? 0.34097022 0.28808731 0.04644937 0.03868951  -0.01658334 -0.03263141 170 VAL   A HG12  
988  H  HG13  . VAL   A 59  ? 0.34109721 0.28795886 0.04679935 0.03842879  -0.01657616 -0.03280862 170 VAL   A HG13  
989  H  HG21  . VAL   A 59  ? 0.33916241 0.29779088 0.06951023 0.03303371  -0.00884818 -0.03209888 170 VAL   A HG21  
990  H  HG22  . VAL   A 59  ? 0.33862123 0.29782563 0.07072132 0.03412058  -0.01100845 -0.03219989 170 VAL   A HG22  
991  H  HG23  . VAL   A 59  ? 0.33838060 0.29857942 0.06844729 0.03249095  -0.01068243 -0.03024642 170 VAL   A HG23  
992  N  N     . ILE   A 60  ? 0.31138805 0.26612809 0.01008841 0.03468526  0.00145629  -0.03080470 171 ILE   A N     
993  C  CA    . ILE   A 60  ? 0.30957800 0.26747596 0.01947707 0.03263334  0.00007018  -0.04082325 171 ILE   A CA    
994  C  C     . ILE   A 60  ? 0.29181734 0.25695494 0.00934178 0.03044008  0.01343798  -0.02281448 171 ILE   A C     
995  O  O     . ILE   A 60  ? 0.30331230 0.27672789 0.01330253 0.01566261  0.02045911  -0.02285404 171 ILE   A O     
996  C  CB    . ILE   A 60  ? 0.34062010 0.28410119 0.04213333 0.03939120  -0.01181422 -0.03887249 171 ILE   A CB    
997  C  CG1   . ILE   A 60  ? 0.36700395 0.31224659 0.05151678 0.04554234  -0.02477190 -0.04098523 171 ILE   A CG1   
998  C  CG2   . ILE   A 60  ? 0.35704744 0.29348284 0.02508573 0.03883762  -0.01111982 -0.04820180 171 ILE   A CG2   
999  C  CD1   . ILE   A 60  ? 0.36463600 0.33416393 0.08228875 0.04373114  -0.01607979 -0.05664814 171 ILE   A CD1   
1000 H  H     . ILE   A 60  ? 0.30780238 0.26585475 0.01110615 0.03328624  0.00245570  -0.03460272 171 ILE   A H     
1001 H  HA    . ILE   A 60  ? 0.31100410 0.26743829 0.01152689 0.03356559  0.00123052  -0.03641272 171 ILE   A HA    
1002 H  HB    . ILE   A 60  ? 0.34005708 0.28655985 0.03608054 0.03898267  -0.01104144 -0.04020046 171 ILE   A HB    
1003 H  HG12  . ILE   A 60  ? 0.36151269 0.31092712 0.05462275 0.04361470  -0.02013651 -0.04166679 171 ILE   A HG12  
1004 H  HG13  . ILE   A 60  ? 0.36169106 0.31004170 0.05528593 0.04459701  -0.02001184 -0.04264687 171 ILE   A HG13  
1005 H  HG21  . ILE   A 60  ? 0.35268342 0.29149365 0.03088636 0.03894985  -0.01163681 -0.04694662 171 ILE   A HG21  
1006 H  HG22  . ILE   A 60  ? 0.35329637 0.29132041 0.03091919 0.03943508  -0.01195829 -0.04664263 171 ILE   A HG22  
1007 H  HG23  . ILE   A 60  ? 0.35176373 0.29065546 0.02950418 0.03874248  -0.01261915 -0.04694577 171 ILE   A HG23  
1008 H  HD11  . ILE   A 60  ? 0.36554641 0.32989463 0.07552186 0.04415077  -0.01860344 -0.05282669 171 ILE   A HD11  
1009 H  HD12  . ILE   A 60  ? 0.36577117 0.32955018 0.08089462 0.04479218  -0.01750737 -0.05242964 171 ILE   A HD12  
1010 H  HD13  . ILE   A 60  ? 0.36558062 0.33118504 0.07681794 0.04510312  -0.01892870 -0.05446991 171 ILE   A HD13  
1011 N  N     . VAL   A 61  ? 0.28048879 0.26243931 0.00895466 0.02191272  0.00743439  -0.02421831 172 VAL   A N     
1012 C  CA    . VAL   A 61  ? 0.27842984 0.25768501 0.00681735 0.01984892  0.00067857  -0.01093796 172 VAL   A CA    
1013 C  C     . VAL   A 61  ? 0.26393482 0.24595891 0.00654828 0.01296464  0.00729705  -0.00109928 172 VAL   A C     
1014 O  O     . VAL   A 61  ? 0.25785989 0.24988066 0.01295652 0.00781904  0.01255573  -0.01589712 172 VAL   A O     
1015 C  CB    . VAL   A 61  ? 0.29083589 0.26485920 0.03235063 0.01991766  0.00777271  0.00416947  172 VAL   A CB    
1016 C  CG1   . VAL   A 61  ? 0.30504537 0.28227881 0.02941564 0.01547631  0.00731787  0.00712320  172 VAL   A CG1   
1017 C  CG2   . VAL   A 61  ? 0.29715192 0.27524969 0.04784061 0.01960982  0.01501072  -0.01094384 172 VAL   A CG2   
1018 H  H     . VAL   A 61  ? 0.28161490 0.26030505 0.00841772 0.02321845  0.00731505  -0.02121186 172 VAL   A H     
1019 H  HA    . VAL   A 61  ? 0.27833614 0.25716162 0.00679331 0.01925743  0.00423894  -0.00962246 172 VAL   A HA    
1020 H  HB    . VAL   A 61  ? 0.29068756 0.26710427 0.02591025 0.01919166  0.00743350  -0.00061832 172 VAL   A HB    
1021 H  HG11  . VAL   A 61  ? 0.30261391 0.27842131 0.03027038 0.01700734  0.00715383  0.00659421  172 VAL   A HG11  
1022 H  HG12  . VAL   A 61  ? 0.30207384 0.27950442 0.03031057 0.01609924  0.00699376  0.00722258  172 VAL   A HG12  
1023 H  HG13  . VAL   A 61  ? 0.30185908 0.27880755 0.03060507 0.01684739  0.00734310  0.00624407  172 VAL   A HG13  
1024 H  HG21  . VAL   A 61  ? 0.29568624 0.27464992 0.04669149 0.02009709  0.01308923  -0.00931267 172 VAL   A HG21  
1025 H  HG22  . VAL   A 61  ? 0.29585350 0.27294856 0.04533368 0.02026118  0.01380700  -0.00697273 172 VAL   A HG22  
1026 H  HG23  . VAL   A 61  ? 0.29587868 0.27336761 0.04456142 0.02010056  0.01318022  -0.00730925 172 VAL   A HG23  
1027 N  N     . CYS   A 62  ? 0.25774097 0.24568571 0.00716873 0.01200704  0.01081142  0.00993131  173 CYS   A N     
1028 C  CA    . CYS   A 62  ? 0.27100351 0.25146422 0.00648623 0.01093058  0.00087168  0.00611002  173 CYS   A CA    
1029 C  C     . CYS   A 62  ? 0.26671806 0.25930747 0.00691361 0.01045334  0.01127057  -0.00439897 173 CYS   A C     
1030 O  O     . CYS   A 62  ? 0.27199462 0.28207356 0.00723960 0.01612081  0.01268781  -0.00832514 173 CYS   A O     
1031 C  CB    . CYS   A 62  ? 0.28918597 0.25460526 0.00679939 0.01110660  0.01148889  0.00064861  173 CYS   A CB    
1032 S  SG    . CYS   A 62  ? 0.31672689 0.27693516 0.00637690 0.00813094  -0.00134131 -0.00326279 173 CYS   A SG    
1033 H  H     . CYS   A 62  ? 0.25979951 0.24691449 0.00674370 0.01239820  0.00824037  0.00626563  173 CYS   A H     
1034 H  HA    . CYS   A 62  ? 0.27128005 0.25206828 0.00651497 0.01119030  0.00594976  0.00371016  173 CYS   A HA    
1035 H  HB2   . CYS   A 62  ? 0.28741702 0.25628167 0.00653059 0.01066364  0.00741865  0.00102442  173 CYS   A HB2   
1036 H  HB3   . CYS   A 62  ? 0.28828692 0.25437585 0.00652843 0.01120765  0.00742842  0.00010971  173 CYS   A HB3   
1037 H  HG    . CYS   A 62  ? 0.19057247 0.19057247 0.19057247 0.00000000  0.00000000  0.00000000  173 CYS   A HG    
1038 N  N     . ASN   A 63  ? 0.26173812 0.25382316 0.00717770 0.00704500  0.00927759  -0.01095366 174 ASN   A N     
1039 C  CA    . ASN   A 63  ? 0.26140219 0.25737616 0.00656528 0.00258213  0.00584031  -0.00492524 174 ASN   A CA    
1040 C  C     . ASN   A 63  ? 0.26240668 0.25387478 0.00634482 0.00264437  -0.00039314 -0.00170131 174 ASN   A C     
1041 O  O     . ASN   A 63  ? 0.24632160 0.24369739 0.00778479 -0.00133682 0.01866501  0.00025712  174 ASN   A O     
1042 C  CB    . ASN   A 63  ? 0.27115238 0.26377720 0.00665754 -0.00000071 0.00826895  -0.00414589 174 ASN   A CB    
1043 C  CG    . ASN   A 63  ? 0.28309059 0.27462113 0.00727268 -0.00276069 0.00355756  -0.01552496 174 ASN   A CG    
1044 O  OD1   . ASN   A 63  ? 0.28384641 0.28939250 0.00649412 -0.00435533 0.00669534  -0.00005782 174 ASN   A OD1   
1045 N  ND2   . ASN   A 63  ? 0.30028170 0.28092971 0.00892818 0.00488213  -0.00883152 -0.02543888 174 ASN   A ND2   
1046 H  H     . ASN   A 63  ? 0.26215130 0.25527444 0.00690867 0.00700489  0.00885339  -0.00794814 174 ASN   A H     
1047 H  HA    . ASN   A 63  ? 0.26253474 0.25735849 0.00657960 0.00278961  0.00598434  -0.00512288 174 ASN   A HA    
1048 H  HB2   . ASN   A 63  ? 0.27108836 0.26478279 0.00664834 0.00008741  0.00679225  -0.00604529 174 ASN   A HB2   
1049 H  HB3   . ASN   A 63  ? 0.27024350 0.26432526 0.00668403 -0.00016611 0.00720514  -0.00632293 174 ASN   A HB3   
1050 H  HD21  . ASN   A 63  ? 0.29448801 0.27863595 0.00822521 0.00307632  -0.00520838 -0.02218422 174 ASN   A HD21  
1051 H  HD22  . ASN   A 63  ? 0.29351723 0.27909586 0.00824491 0.00313284  -0.00614779 -0.02210464 174 ASN   A HD22  
1052 N  N     . THR   A 64  ? 0.26971063 0.26864037 0.00645757 -0.00241016 0.00558932  0.00124202  175 THR   A N     
1053 C  CA    . THR   A 64  ? 0.28295568 0.27672431 0.00702636 -0.00467142 0.01384816  -0.00060972 175 THR   A CA    
1054 C  C     . THR   A 64  ? 0.28251755 0.29563448 0.00703821 -0.00295899 0.01224962  0.00672127  175 THR   A C     
1055 O  O     . THR   A 64  ? 0.30518639 0.30643800 0.00680797 0.01027451  0.01188733  -0.00046727 175 THR   A O     
1056 C  CB    . THR   A 64  ? 0.28693551 0.28033128 0.00704896 -0.01660082 0.00837284  0.01079068  175 THR   A CB    
1057 O  OG1   . THR   A 64  ? 0.29634976 0.27973375 0.00817671 -0.01812814 0.01245295  0.01810316  175 THR   A OG1   
1058 C  CG2   . THR   A 64  ? 0.29239985 0.27748939 0.00723058 -0.02090032 0.01428397  -0.00810201 175 THR   A CG2   
1059 H  H     . THR   A 64  ? 0.27000278 0.26673836 0.00647156 -0.00183589 0.00605130  0.00012412  175 THR   A H     
1060 H  HA    . THR   A 64  ? 0.28144872 0.27794337 0.00684294 -0.00611520 0.01142401  0.00287168  175 THR   A HA    
1061 H  HB    . THR   A 64  ? 0.28771722 0.27886888 0.00698328 -0.01552320 0.01096620  0.00718426  175 THR   A HB    
1062 H  HG1   . THR   A 64  ? 0.18013638 0.18013638 0.18013638 0.00000000  0.00000000  0.00000000  175 THR   A HG1   
1063 H  HG21  . THR   A 64  ? 0.29072064 0.27829418 0.00695308 -0.02020113 0.01307410  -0.00322239 175 THR   A HG21  
1064 H  HG22  . THR   A 64  ? 0.29124632 0.27846694 0.00695347 -0.02020504 0.01309445  -0.00320093 175 THR   A HG22  
1065 H  HG23  . THR   A 64  ? 0.29120868 0.28103411 0.00722423 -0.02078164 0.01476362  -0.00695640 175 THR   A HG23  
1066 N  N     . LYS   A 65  ? 0.30949968 0.30311066 0.00684704 -0.00022810 0.01035911  0.00689372  176 LYS   A N     
1067 C  CA    . LYS   A 65  ? 0.31829274 0.31475502 0.00665136 0.00028224  0.00889226  0.00449632  176 LYS   A CA    
1068 C  C     . LYS   A 65  ? 0.29752582 0.30767035 0.00691857 0.00297932  0.00416629  -0.01255111 176 LYS   A C     
1069 O  O     . LYS   A 65  ? 0.29909158 0.30697602 0.00680841 0.00902410  0.00700730  -0.00940411 176 LYS   A O     
1070 C  CB    . LYS   A 65  ? 0.33923227 0.32424140 0.00654393 -0.00467415 0.00779274  -0.00314208 176 LYS   A CB    
1071 C  CG    . LYS   A 65  ? 0.36650553 0.31518063 0.00840955 -0.00719139 0.01633394  0.01998391  176 LYS   A CG    
1072 C  CD    . LYS   A 65  ? 0.38697258 0.34335721 0.01868228 -0.02969080 0.02479020  0.01466815  176 LYS   A CD    
1073 C  CE    . LYS   A 65  ? 0.41028869 0.36068279 0.06615075 -0.04029579 0.02204213  0.01657108  176 LYS   A CE    
1074 N  NZ    . LYS   A 65  ? 0.43180817 0.38655055 0.11404870 -0.05914451 0.02353451  0.01291732  176 LYS   A NZ    
1075 H  H     . LYS   A 65  ? 0.30448514 0.30261666 0.00683949 -0.00097261 0.01057797  0.00621034  176 LYS   A H     
1076 H  HA    . LYS   A 65  ? 0.31588781 0.31286547 0.00655188 -0.00012605 0.00819623  0.00083464  176 LYS   A HA    
1077 H  HB2   . LYS   A 65  ? 0.33799991 0.31385347 0.00658057 -0.00573532 0.00787728  -0.00446334 176 LYS   A HB2   
1078 H  HB3   . LYS   A 65  ? 0.33807003 0.31907412 0.00658875 -0.00483564 0.00910277  0.00128119  176 LYS   A HB3   
1079 H  HG2   . LYS   A 65  ? 0.36258540 0.32363710 0.00810614 -0.00909884 0.01735470  0.01671156  176 LYS   A HG2   
1080 H  HG3   . LYS   A 65  ? 0.36205480 0.32152393 0.00765974 -0.00964101 0.01597406  0.01342546  176 LYS   A HG3   
1081 H  HD2   . LYS   A 65  ? 0.38617805 0.33936256 0.01765254 -0.02691062 0.02428001  0.01734634  176 LYS   A HD2   
1082 H  HD3   . LYS   A 65  ? 0.38676649 0.33993638 0.01615371 -0.02764262 0.02306748  0.01733688  176 LYS   A HD3   
1083 H  HE2   . LYS   A 65  ? 0.40881503 0.36056200 0.06494234 -0.04046708 0.02325225  0.01591562  176 LYS   A HE2   
1084 H  HE3   . LYS   A 65  ? 0.40873191 0.36095721 0.06418335 -0.04090321 0.02251588  0.01614441  176 LYS   A HE3   
1085 H  HZ1   . LYS   A 65  ? 0.42781138 0.38274261 0.10133539 -0.05621102 0.02234350  0.01622902  176 LYS   A HZ1   
1086 H  HZ2   . LYS   A 65  ? 0.42851943 0.38101691 0.10616658 -0.05439201 0.02702683  0.01510978  176 LYS   A HZ2   
1087 H  HZ3   . LYS   A 65  ? 0.42691606 0.38458252 0.10138643 -0.05499536 0.02383800  0.01278831  176 LYS   A HZ3   
1088 N  N     . LEU   A 66  ? 0.29616135 0.31709912 0.00638745 0.00729699  -0.00082417 -0.00405979 177 LEU   A N     
1089 C  CA    . LEU   A 66  ? 0.30195636 0.32822070 0.00656731 0.00807294  -0.00408342 -0.00768525 177 LEU   A CA    
1090 C  C     . LEU   A 66  ? 0.30223113 0.33397272 0.00650331 0.01820903  -0.00702647 0.00069298  177 LEU   A C     
1091 O  O     . LEU   A 66  ? 0.30721137 0.33997726 0.00634108 0.02295297  -0.00140276 0.00070009  177 LEU   A O     
1092 C  CB    . LEU   A 66  ? 0.31202900 0.33929577 0.00757539 -0.00090219 -0.01167950 -0.01625142 177 LEU   A CB    
1093 C  CG    . LEU   A 66  ? 0.32492211 0.35268870 0.01659755 -0.00632369 0.00786520  -0.01003387 177 LEU   A CG    
1094 C  CD1   . LEU   A 66  ? 0.34272671 0.35895544 0.08045682 -0.01350477 0.00990873  0.00263790  177 LEU   A CD1   
1095 C  CD2   . LEU   A 66  ? 0.33257809 0.35237584 0.04414308 -0.00508260 0.02321015  -0.00039075 177 LEU   A CD2   
1096 H  H     . LEU   A 66  ? 0.29739031 0.31623715 0.00646824 0.00662481  -0.00024197 -0.00648306 177 LEU   A H     
1097 H  HA    . LEU   A 66  ? 0.30238363 0.32826710 0.00654408 0.00815062  -0.00486124 -0.00664234 177 LEU   A HA    
1098 H  HB2   . LEU   A 66  ? 0.31182739 0.33864111 0.00692529 -0.00031450 -0.00614496 -0.01247913 177 LEU   A HB2   
1099 H  HB3   . LEU   A 66  ? 0.31169498 0.33895200 0.00688275 -0.00013574 -0.00616026 -0.01189941 177 LEU   A HB3   
1100 H  HG    . LEU   A 66  ? 0.32530409 0.34875956 0.02370253 -0.00589673 0.00720576  -0.01018589 177 LEU   A HG    
1101 H  HD11  . LEU   A 66  ? 0.33894718 0.35933757 0.06514706 -0.01237629 0.00993485  -0.00000205 177 LEU   A HD11  
1102 H  HD12  . LEU   A 66  ? 0.33795086 0.36029932 0.07139584 -0.01148945 0.00981042  -0.00286304 177 LEU   A HD12  
1103 H  HD13  . LEU   A 66  ? 0.33797613 0.36156008 0.06879510 -0.01117247 0.01026449  0.00340542  177 LEU   A HD13  
1104 H  HD21  . LEU   A 66  ? 0.33025616 0.35192046 0.03607555 -0.00452629 0.01897249  -0.00229051 177 LEU   A HD21  
1105 H  HD22  . LEU   A 66  ? 0.33029470 0.35376784 0.03947081 -0.00511911 0.01919037  -0.00036897 177 LEU   A HD22  
1106 H  HD23  . LEU   A 66  ? 0.33031622 0.35279304 0.03966152 -0.00495403 0.01907821  -0.00297153 177 LEU   A HD23  
1107 N  N     . ASP   A 67  ? 0.31602558 0.34073284 0.00663009 0.02490900  -0.00873210 -0.00483197 178 ASP   A N     
1108 C  CA    . ASP   A 67  ? 0.34131804 0.36631066 0.00650962 0.02324528  -0.00722127 0.00226676  178 ASP   A CA    
1109 C  C     . ASP   A 67  ? 0.35284728 0.36125419 0.00723462 0.02466702  0.00711675  0.01684520  178 ASP   A C     
1110 O  O     . ASP   A 67  ? 0.39208043 0.36937532 0.00877928 0.02535300  -0.02398166 0.01700861  178 ASP   A O     
1111 C  CB    . ASP   A 67  ? 0.35548669 0.39070454 0.02983548 0.01738943  -0.02725909 -0.00365863 178 ASP   A CB    
1112 C  CG    . ASP   A 67  ? 0.37698606 0.41422266 0.06916004 0.01589465  -0.02937111 -0.01366149 178 ASP   A CG    
1113 O  OD1   . ASP   A 67  ? 0.39529675 0.46036181 0.04606187 0.03400740  -0.03763840 0.01728822  178 ASP   A OD1   
1114 O  OD2   . ASP   A 67  ? 0.41781557 0.45770019 0.18571006 -0.01207255 -0.04776341 -0.02689312 178 ASP   A OD2   
1115 H  H     . ASP   A 67  ? 0.31657347 0.34164160 0.00653795 0.02341995  -0.00787478 -0.00194789 178 ASP   A H     
1116 H  HA    . ASP   A 67  ? 0.33899060 0.36402625 0.00652490 0.02333748  -0.00757765 0.00211750  178 ASP   A HA    
1117 H  HB2   . ASP   A 67  ? 0.35752431 0.38850817 0.02305493 0.01814960  -0.02487529 -0.00404227 178 ASP   A HB2   
1118 H  HB3   . ASP   A 67  ? 0.35663792 0.38989094 0.02560093 0.01847751  -0.02385117 -0.00586193 178 ASP   A HB3   
1119 N  N     . ASN   A 68  ? 0.35987562 0.35242033 0.00876608 0.02192861  0.01046223  0.02770749  179 ASN   A N     
1120 C  CA    . ASN   A 68  ? 0.39069995 0.33876061 0.01511299 0.01868245  0.03670165  0.04360584  179 ASN   A CA    
1121 C  C     . ASN   A 68  ? 0.40504619 0.32646203 0.02465295 0.02321697  0.02232321  0.01474459  179 ASN   A C     
1122 O  O     . ASN   A 68  ? 0.46639305 0.33916271 0.07174590 0.01752106  0.03003533  0.03442531  179 ASN   A O     
1123 C  CB    . ASN   A 68  ? 0.39716581 0.33061823 0.01835350 0.01090170  0.03955328  0.05207086  179 ASN   A CB    
1124 C  CG    . ASN   A 68  ? 0.39869538 0.33205920 0.03664862 0.02209849  0.04591104  0.05450433  179 ASN   A CG    
1125 O  OD1   . ASN   A 68  ? 0.38563851 0.28037548 0.08642575 0.02953326  0.03596158  0.02969288  179 ASN   A OD1   
1126 N  ND2   . ASN   A 68  ? 0.40171504 0.34261560 0.10087544 0.02530164  0.05144352  0.06565399  179 ASN   A ND2   
1127 H  H     . ASN   A 68  ? 0.36118758 0.34919333 0.00927239 0.02327116  0.01363284  0.02961138  179 ASN   A H     
1128 H  HA    . ASN   A 68  ? 0.38943529 0.33751753 0.01305735 0.01895239  0.03179988  0.03830358  179 ASN   A HA    
1129 H  HB2   . ASN   A 68  ? 0.39591190 0.33290619 0.01788288 0.01460731  0.04022165  0.05061850  179 ASN   A HB2   
1130 H  HB3   . ASN   A 68  ? 0.39686570 0.33288378 0.01802970 0.01465301  0.04059693  0.05089427  179 ASN   A HB3   
1131 H  HD21  . ASN   A 68  ? 0.40374073 0.33994436 0.08219013 0.02331410  0.05307935  0.06129652  179 ASN   A HD21  
1132 H  HD22  . ASN   A 68  ? 0.40217638 0.33941302 0.08077376 0.02508979  0.05082620  0.06244960  179 ASN   A HD22  
1133 N  N     . ASN   A 69  ? 0.40009442 0.33725178 0.00701847 0.02473503  0.01614493  0.00382111  180 ASN   A N     
1134 C  CA    . ASN   A 69  ? 0.39628854 0.34198403 0.00673671 0.03028879  0.00792491  0.00961657  180 ASN   A CA    
1135 C  C     . ASN   A 69  ? 0.36785969 0.32446131 0.00651705 0.02654991  0.00811940  0.00141633  180 ASN   A C     
1136 O  O     . ASN   A 69  ? 0.35183153 0.32077703 0.00633924 0.02388021  -0.00151558 -0.00003754 180 ASN   A O     
1137 C  CB    . ASN   A 69  ? 0.42352390 0.37670383 0.04555828 0.03393880  -0.01726144 -0.00080048 180 ASN   A CB    
1138 C  CG    . ASN   A 69  ? 0.47652221 0.42480764 0.05733501 0.03676546  -0.03636760 0.01781284  180 ASN   A CG    
1139 O  OD1   . ASN   A 69  ? 0.54491049 0.49520975 0.10761598 0.04007131  -0.03951003 -0.03481951 180 ASN   A OD1   
1140 N  ND2   . ASN   A 69  ? 0.52370888 0.42936799 0.11096122 0.03070103  -0.04524878 0.02176901  180 ASN   A ND2   
1141 H  H     . ASN   A 69  ? 0.39782557 0.33616135 0.00704851 0.02529079  0.01518412  0.00743721  180 ASN   A H     
1142 H  HA    . ASN   A 69  ? 0.39587459 0.34185719 0.00654432 0.02896589  0.00666474  0.00620299  180 ASN   A HA    
1143 H  HB2   . ASN   A 69  ? 0.42545372 0.37696931 0.03635938 0.03445648  -0.01487867 0.00518661  180 ASN   A HB2   
1144 H  HB3   . ASN   A 69  ? 0.42501155 0.37610611 0.03603674 0.03418033  -0.01488547 0.00542561  180 ASN   A HB3   
1145 H  HD21  . ASN   A 69  ? 0.50738937 0.42959803 0.09837097 0.03331801  -0.04034689 0.02374819  180 ASN   A HD21  
1146 H  HD22  . ASN   A 69  ? 0.50982606 0.42954347 0.10844322 0.03299773  -0.04244017 0.01854606  180 ASN   A HD22  
1147 N  N     . TRP   A 70  ? 0.35472783 0.30875242 0.00723804 0.02727899  0.00840662  0.01518354  181 TRP   A N     
1148 C  CA    . TRP   A 70  ? 0.33714119 0.30517346 0.00788369 0.02789235  -0.00222604 0.02115352  181 TRP   A CA    
1149 C  C     . TRP   A 70  ? 0.33063403 0.32761919 0.00779328 0.03095721  -0.00594815 0.02017491  181 TRP   A C     
1150 O  O     . TRP   A 70  ? 0.33913815 0.38017243 0.02433268 0.04373023  -0.00620396 0.03192596  181 TRP   A O     
1151 C  CB    . TRP   A 70  ? 0.34272909 0.29111797 0.01156610 0.02506278  0.01522985  0.01953229  181 TRP   A CB    
1152 C  CG    . TRP   A 70  ? 0.34651428 0.29024166 0.00666648 0.01983041  0.00761085  -0.00635826 181 TRP   A CG    
1153 C  CD1   . TRP   A 70  ? 0.34925875 0.29112467 0.00642635 0.01424829  0.00156248  0.00502731  181 TRP   A CD1   
1154 C  CD2   . TRP   A 70  ? 0.34186059 0.28732023 0.00670706 0.01295022  0.00994211  -0.00434993 181 TRP   A CD2   
1155 N  NE1   . TRP   A 70  ? 0.35689917 0.30597726 0.00682526 0.00737402  0.00090397  0.01213741  181 TRP   A NE1   
1156 C  CE2   . TRP   A 70  ? 0.34848350 0.30676702 0.00707012 0.00966707  0.01563826  -0.00217340 181 TRP   A CE2   
1157 C  CE3   . TRP   A 70  ? 0.34283930 0.28850287 0.00677452 0.01009421  0.01206932  -0.00123558 181 TRP   A CE3   
1158 C  CZ2   . TRP   A 70  ? 0.33249766 0.30469978 0.01015082 0.00342438  0.02942455  -0.01832389 181 TRP   A CZ2   
1159 C  CZ3   . TRP   A 70  ? 0.34123501 0.29303393 0.00661821 0.00818413  0.00919911  -0.00284771 181 TRP   A CZ3   
1160 C  CH2   . TRP   A 70  ? 0.33728218 0.31835300 0.00766548 0.00474624  0.01109624  -0.01715395 181 TRP   A CH2   
1161 H  H     . TRP   A 70  ? 0.35420170 0.30952239 0.00705250 0.02730596  0.00631343  0.01399507  181 TRP   A H     
1162 H  HA    . TRP   A 70  ? 0.33835471 0.30611932 0.00766671 0.02858861  0.00121438  0.01998795  181 TRP   A HA    
1163 H  HB2   . TRP   A 70  ? 0.34235355 0.29333708 0.00723388 0.02496763  0.00995370  0.01388980  181 TRP   A HB2   
1164 H  HB3   . TRP   A 70  ? 0.34268320 0.29359519 0.00712755 0.02497454  0.00879663  0.01335084  181 TRP   A HB3   
1165 H  HD1   . TRP   A 70  ? 0.35002106 0.29447711 0.00640407 0.01384751  0.00356352  0.00329529  181 TRP   A HD1   
1166 H  HE1   . TRP   A 70  ? 0.35337153 0.30318058 0.00655340 0.00928998  0.00507104  0.00673252  181 TRP   A HE1   
1167 H  HE3   . TRP   A 70  ? 0.34201139 0.28938138 0.00671990 0.01034433  0.01097441  -0.00250224 181 TRP   A HE3   
1168 H  HZ2   . TRP   A 70  ? 0.33449134 0.30688384 0.00848544 0.00397882  0.02212768  -0.01382320 181 TRP   A HZ2   
1169 H  HZ3   . TRP   A 70  ? 0.34037545 0.29349452 0.00671465 0.00818861  0.01051360  -0.00357419 181 TRP   A HZ3   
1170 H  HH2   . TRP   A 70  ? 0.33638263 0.31033340 0.00757465 0.00568380  0.01417732  -0.01362651 181 TRP   A HH2   
1171 N  N     . GLY   A 71  ? 0.31866857 0.32807428 0.00773896 0.01600663  -0.00622132 0.01996836  182 GLY   A N     
1172 C  CA    . GLY   A 71  ? 0.30668911 0.33410645 0.02579724 0.01559674  -0.00804904 0.01147080  182 GLY   A CA    
1173 C  C     . GLY   A 71  ? 0.29962128 0.34386468 0.02739613 0.01135718  -0.01259002 0.00350760  182 GLY   A C     
1174 O  O     . GLY   A 71  ? 0.31032640 0.36063695 0.00647135 0.01415449  -0.00297692 0.00608777  182 GLY   A O     
1175 H  H     . GLY   A 71  ? 0.31907499 0.32885799 0.00755831 0.01897672  -0.00655618 0.01830372  182 GLY   A H     
1176 H  HA2   . GLY   A 71  ? 0.30865520 0.33470976 0.02274675 0.01517413  -0.00717455 0.01186537  182 GLY   A HA2   
1177 H  HA3   . GLY   A 71  ? 0.30797628 0.33458301 0.02170772 0.01501912  -0.00803055 0.01174282  182 GLY   A HA3   
1178 N  N     . ARG   A 72  ? 0.30770713 0.36017913 0.02568213 0.01129131  -0.00172263 0.00086882  183 ARG   A N     
1179 C  CA    . ARG   A 72  ? 0.32162488 0.37746015 0.01595528 0.01081900  -0.00518156 -0.01050309 183 ARG   A CA    
1180 C  C     . ARG   A 72  ? 0.31122559 0.35179520 0.00656397 0.02043863  0.00817759  -0.00148911 183 ARG   A C     
1181 O  O     . ARG   A 72  ? 0.31249219 0.35663339 0.03392198 0.01656452  0.00105294  -0.00680646 183 ARG   A O     
1182 C  CB    . ARG   A 72  ? 0.34331402 0.40505329 0.07819915 0.00870306  0.01338102  -0.01457154 183 ARG   A CB    
1183 C  CG    . ARG   A 72  ? 0.36529770 0.44311172 0.13018094 0.01877998  0.00077012  -0.01904412 183 ARG   A CG    
1184 C  CD    . ARG   A 72  ? 0.38589466 0.48972452 0.20403393 0.01832642  0.01449829  -0.00965066 183 ARG   A CD    
1185 N  NE    . ARG   A 72  ? 0.41712871 0.53477502 0.25840631 0.03401916  0.00125827  -0.01207702 183 ARG   A NE    
1186 C  CZ    . ARG   A 72  ? 0.44265932 0.56933314 0.32391280 0.05585226  0.01040250  -0.00712688 183 ARG   A CZ    
1187 N  NH1   . ARG   A 72  ? 0.44496334 0.58057141 0.29270110 0.07172538  0.06714828  -0.00267791 183 ARG   A NH1   
1188 N  NH2   . ARG   A 72  ? 0.44607627 0.56462789 0.35363850 0.04582207  -0.00021122 -0.01209032 183 ARG   A NH2   
1189 H  H     . ARG   A 72  ? 0.30831477 0.35990459 0.02479997 0.01153354  -0.00461821 -0.00025866 183 ARG   A H     
1190 H  HA    . ARG   A 72  ? 0.31991702 0.37446353 0.02059539 0.01194929  0.00073273  -0.00758928 183 ARG   A HA    
1191 H  HB2   . ARG   A 72  ? 0.34099337 0.40490606 0.07112051 0.01038104  0.00697005  -0.01466624 183 ARG   A HB2   
1192 H  HB3   . ARG   A 72  ? 0.34098500 0.40396443 0.07238256 0.01047977  0.00651350  -0.01405365 183 ARG   A HB3   
1193 H  HG2   . ARG   A 72  ? 0.36349562 0.44128466 0.12853804 0.01684061  0.00624827  -0.01653700 183 ARG   A HG2   
1194 H  HG3   . ARG   A 72  ? 0.36362150 0.44082254 0.12980263 0.01679696  0.00575160  -0.01579795 183 ARG   A HG3   
1195 H  HD2   . ARG   A 72  ? 0.38535091 0.48909658 0.19594228 0.02138826  0.01071268  -0.01072149 183 ARG   A HD2   
1196 H  HD3   . ARG   A 72  ? 0.38605773 0.48997366 0.19943510 0.02185576  0.01048071  -0.00901210 183 ARG   A HD3   
1197 H  HE    . ARG   A 72  ? 0.41532418 0.53114355 0.25851646 0.03545147  0.00505705  -0.01049770 183 ARG   A HE    
1198 H  HH11  . ARG   A 72  ? 0.44515020 0.57713258 0.30111822 0.06852920  0.05489866  -0.00174370 183 ARG   A HH11  
1199 H  HH12  . ARG   A 72  ? 0.44693398 0.57548672 0.30100673 0.06860368  0.05757377  -0.00099393 183 ARG   A HH12  
1200 H  HH21  . ARG   A 72  ? 0.44556701 0.56481773 0.34738556 0.04722181  0.00458256  -0.01087657 183 ARG   A HH21  
1201 H  HH22  . ARG   A 72  ? 0.44424385 0.56427687 0.34700146 0.04757829  0.00391191  -0.01042674 183 ARG   A HH22  
1202 N  N     . GLU   A 73  ? 0.30512929 0.34439701 0.00740700 0.01657404  -0.00962331 0.01552056  184 GLU   A N     
1203 C  CA    . GLU   A 73  ? 0.29511660 0.34306797 0.00649702 0.02649086  0.00674055  -0.00092312 184 GLU   A CA    
1204 C  C     . GLU   A 73  ? 0.28572360 0.36483273 0.00675845 0.02207207  0.01032236  0.00480001  184 GLU   A C     
1205 O  O     . GLU   A 73  ? 0.28722149 0.39099219 0.00751860 0.02923400  0.00517700  0.01414468  184 GLU   A O     
1206 C  CB    . GLU   A 73  ? 0.30577269 0.33918703 0.00634591 0.02868946  0.00188450  0.00087740  184 GLU   A CB    
1207 C  CG    . GLU   A 73  ? 0.31914359 0.32777718 0.00726550 0.02935776  0.01236172  -0.01074063 184 GLU   A CG    
1208 C  CD    . GLU   A 73  ? 0.31738648 0.32728657 0.00753609 0.02394797  0.00994408  -0.01604532 184 GLU   A CD    
1209 O  OE1   . GLU   A 73  ? 0.34647024 0.34779072 0.03018449 0.04558115  0.01995856  -0.01480714 184 GLU   A OE1   
1210 O  OE2   . GLU   A 73  ? 0.30249780 0.30874684 0.01846063 0.02717745  0.00521102  -0.01491879 184 GLU   A OE2   
1211 H  H     . GLU   A 73  ? 0.30393681 0.34358782 0.00662008 0.02053785  -0.00251648 0.00928183  184 GLU   A H     
1212 H  HA    . GLU   A 73  ? 0.29410586 0.34494716 0.00641378 0.02505238  0.00423898  0.00288129  184 GLU   A HA    
1213 H  HB2   . GLU   A 73  ? 0.30590451 0.33762246 0.00643538 0.02837035  0.00493884  -0.00218297 184 GLU   A HB2   
1214 H  HB3   . GLU   A 73  ? 0.30470511 0.33759695 0.00639917 0.02824704  0.00358130  -0.00244612 184 GLU   A HB3   
1215 H  HG2   . GLU   A 73  ? 0.31604457 0.32941264 0.00693356 0.02786006  0.00939622  -0.00921831 184 GLU   A HG2   
1216 H  HG3   . GLU   A 73  ? 0.31532818 0.32954818 0.00688694 0.02784495  0.00830492  -0.00955703 184 GLU   A HG3   
1217 N  N     . GLU   A 74  ? 0.26310572 0.34114167 0.00683452 0.01544636  0.01092626  0.00417234  185 GLU   A N     
1218 C  CA    . GLU   A 74  ? 0.26740015 0.34554228 0.00875154 0.01145817  0.02410799  -0.00702161 185 GLU   A CA    
1219 C  C     . GLU   A 74  ? 0.26823974 0.35234973 0.00772571 0.01190292  0.01605580  -0.01115525 185 GLU   A C     
1220 O  O     . GLU   A 74  ? 0.26538998 0.37527916 0.01278589 0.00786632  0.01246226  -0.03098901 185 GLU   A O     
1221 C  CB    . GLU   A 74  ? 0.28488171 0.35110977 0.01043788 0.00597496  0.02225384  0.00441917  185 GLU   A CB    
1222 C  CG    . GLU   A 74  ? 0.29175913 0.34923506 0.03780039 0.00029232  0.01830392  0.00549873  185 GLU   A CG    
1223 C  CD    . GLU   A 74  ? 0.30711344 0.34305713 0.04507366 -0.01086056 0.01611859  0.01422551  185 GLU   A CD    
1224 O  OE1   . GLU   A 74  ? 0.33107293 0.37194890 0.04976710 -0.01000508 0.00356909  0.02043831  185 GLU   A OE1   
1225 O  OE2   . GLU   A 74  ? 0.32030088 0.33741492 0.06370854 -0.01630080 0.00705875  0.00626349  185 GLU   A OE2   
1226 H  H     . GLU   A 74  ? 0.26766783 0.34623641 0.00703911 0.01624882  0.01354128  0.00212753  185 GLU   A H     
1227 H  HA    . GLU   A 74  ? 0.26752108 0.34722880 0.00805190 0.01185234  0.02071393  -0.00416506 185 GLU   A HA    
1228 H  HB2   . GLU   A 74  ? 0.28317076 0.34935358 0.01309290 0.00570690  0.02198698  0.00246093  185 GLU   A HB2   
1229 H  HB3   . GLU   A 74  ? 0.28223276 0.34908557 0.01085342 0.00556774  0.02330435  0.00379186  185 GLU   A HB3   
1230 H  HG2   . GLU   A 74  ? 0.29231051 0.34829882 0.03425524 -0.00052959 0.01862540  0.00694598  185 GLU   A HG2   
1231 H  HG3   . GLU   A 74  ? 0.29286155 0.34836808 0.03790671 -0.00047245 0.01800749  0.00624280  185 GLU   A HG3   
1232 N  N     . ARG   A 75  ? 0.26845497 0.35849455 0.01012802 0.01653234  0.01668593  -0.01177984 186 ARG   A N     
1233 C  CA    . ARG   A 75  ? 0.27963954 0.37217337 0.01296226 0.01936322  0.01108628  -0.02341843 186 ARG   A CA    
1234 C  C     . ARG   A 75  ? 0.30777723 0.39467523 0.01407772 0.01309158  0.02398843  -0.02214219 186 ARG   A C     
1235 O  O     . ARG   A 75  ? 0.32666844 0.44529489 0.00839810 -0.00782732 0.01976823  -0.01974509 186 ARG   A O     
1236 C  CB    . ARG   A 75  ? 0.29626128 0.36878800 0.01807398 0.02308055  0.02816188  -0.01563274 186 ARG   A CB    
1237 C  CG    . ARG   A 75  ? 0.30440396 0.37068141 0.01316676 0.02998849  0.02116181  -0.01357661 186 ARG   A CG    
1238 C  CD    . ARG   A 75  ? 0.31451246 0.37237376 0.03305544 0.04182474  0.01494793  -0.01873615 186 ARG   A CD    
1239 N  NE    . ARG   A 75  ? 0.33153889 0.37646759 0.04555123 0.04356857  0.01020613  -0.00835553 186 ARG   A NE    
1240 C  CZ    . ARG   A 75  ? 0.34643900 0.35466707 0.02126086 0.05198009  0.01891650  -0.00065480 186 ARG   A CZ    
1241 N  NH1   . ARG   A 75  ? 0.36283362 0.37794667 0.01925157 0.05382681  0.00873807  -0.00273000 186 ARG   A NH1   
1242 N  NH2   . ARG   A 75  ? 0.35048327 0.35290068 0.00653893 0.05272001  0.00148075  0.00845445  186 ARG   A NH2   
1243 H  H     . ARG   A 75  ? 0.26920515 0.35934708 0.00955831 0.01594001  0.01584793  -0.01373281 186 ARG   A H     
1244 H  HA    . ARG   A 75  ? 0.28325212 0.37158611 0.01321257 0.01848163  0.01657197  -0.01960455 186 ARG   A HA    
1245 H  HB2   . ARG   A 75  ? 0.29478228 0.37003469 0.01605204 0.02406479  0.02366876  -0.01653618 186 ARG   A HB2   
1246 H  HB3   . ARG   A 75  ? 0.29448006 0.37081632 0.01687970 0.02420326  0.02408921  -0.01572764 186 ARG   A HB3   
1247 H  HG2   . ARG   A 75  ? 0.30433491 0.36948323 0.01675674 0.03080648  0.02134112  -0.01534513 186 ARG   A HG2   
1248 H  HG3   . ARG   A 75  ? 0.30430916 0.36984777 0.01630882 0.03080466  0.02134282  -0.01563745 186 ARG   A HG3   
1249 H  HD2   . ARG   A 75  ? 0.31533194 0.37248057 0.03018192 0.03981807  0.01563644  -0.01572966 186 ARG   A HD2   
1250 H  HD3   . ARG   A 75  ? 0.31611839 0.37236226 0.02953474 0.03998459  0.01573538  -0.01642475 186 ARG   A HD3   
1251 H  HE    . ARG   A 75  ? 0.33105880 0.37186670 0.04232887 0.04544882  0.01394757  -0.00607162 186 ARG   A HE    
1252 H  HH11  . ARG   A 75  ? 0.35886317 0.37320894 0.01983541 0.05467843  0.01161301  -0.00237558 186 ARG   A HH11  
1253 H  HH12  . ARG   A 75  ? 0.35798508 0.37286791 0.02143421 0.05416252  0.01094955  -0.00377573 186 ARG   A HH12  
1254 H  HH21  . ARG   A 75  ? 0.34943324 0.35343418 0.01061017 0.05240813  0.00642121  0.00516108  186 ARG   A HH21  
1255 H  HH22  . ARG   A 75  ? 0.34884548 0.35321110 0.00991502 0.05218615  0.00644268  0.00440946  186 ARG   A HH22  
1256 N  N     . GLN   A 76  ? 0.33521524 0.37898022 0.01881927 0.00414981  0.02431423  -0.01989945 187 GLN   A N     
1257 C  CA    . GLN   A 76  ? 0.37906635 0.37926596 0.02138943 0.00703841  0.03013775  -0.00862777 187 GLN   A CA    
1258 C  C     . GLN   A 76  ? 0.40139946 0.36082947 0.02752084 0.01402643  0.03055232  -0.02170666 187 GLN   A C     
1259 O  O     . GLN   A 76  ? 0.42092443 0.34569645 0.04330110 0.00543914  0.02171293  -0.02781137 187 GLN   A O     
1260 C  CB    . GLN   A 76  ? 0.40299976 0.39383101 0.07233571 0.00486980  0.01880520  -0.00161741 187 GLN   A CB    
1261 C  CG    . GLN   A 76  ? 0.46239796 0.43823498 0.08715310 0.00026493  0.01642669  0.01735327  187 GLN   A CG    
1262 C  CD    . GLN   A 76  ? 0.51791376 0.52335471 0.08085508 0.01347339  0.05547671  0.01986377  187 GLN   A CD    
1263 O  OE1   . GLN   A 76  ? 0.55634630 0.53226644 0.16899981 0.02588643  0.05444036  -0.00355198 187 GLN   A OE1   
1264 N  NE2   . GLN   A 76  ? 0.55248207 0.57000691 0.23798709 -0.00911079 0.03679285  0.02582595  187 GLN   A NE2   
1265 H  H     . GLN   A 76  ? 0.33549076 0.38152349 0.01868287 0.00665987  0.02568918  -0.01785249 187 GLN   A H     
1266 H  HA    . GLN   A 76  ? 0.37602448 0.37875506 0.02985267 0.00764289  0.02778833  -0.01181837 187 GLN   A HA    
1267 H  HB2   . GLN   A 76  ? 0.40510416 0.39590439 0.06253120 0.00465485  0.02054871  -0.00001330 187 GLN   A HB2   
1268 H  HB3   . GLN   A 76  ? 0.40497145 0.39548662 0.06233124 0.00543933  0.02019769  0.00001998  187 GLN   A HB3   
1269 H  HG2   . GLN   A 76  ? 0.45649794 0.43860367 0.08477860 0.00364510  0.02479963  0.01502790  187 GLN   A HG2   
1270 H  HG3   . GLN   A 76  ? 0.45542216 0.43617192 0.08433031 0.00404365  0.02445432  0.01473940  187 GLN   A HG3   
1271 H  HE21  . GLN   A 76  ? 0.54478216 0.56580698 0.20602815 -0.00293061 0.03902482  0.03816615  187 GLN   A HE21  
1272 H  HE22  . GLN   A 76  ? 0.55442590 0.56123888 0.19817290 -0.00010581 0.03824932  0.02784685  187 GLN   A HE22  
1273 N  N     A SER   A 77  ? 0.39745969 0.35948813 0.04420510 0.02427986  0.03205879  -0.01790021 188 SER   A N     
1274 N  N     B SER   A 77  ? 0.39735702 0.35303754 0.02170890 0.02395784  0.01760765  -0.01960721 188 SER   A N     
1275 C  CA    A SER   A 77  ? 0.40104327 0.35711819 0.07893945 0.02167119  0.02450295  -0.01477528 188 SER   A CA    
1276 C  CA    B SER   A 77  ? 0.39995652 0.34961402 0.04134094 0.02695645  0.01093990  -0.02148811 188 SER   A CA    
1277 C  C     A SER   A 77  ? 0.39237341 0.34478101 0.08072612 0.01999731  0.02411569  -0.01219886 188 SER   A C     
1278 C  C     B SER   A 77  ? 0.38834116 0.34182850 0.05493081 0.02276111  0.01197547  -0.01484733 188 SER   A C     
1279 O  O     A SER   A 77  ? 0.40505743 0.34765387 0.08955132 0.01894449  0.00174808  -0.02113665 188 SER   A O     
1280 O  O     B SER   A 77  ? 0.40159711 0.34097964 0.04403828 0.02280927  -0.01415410 -0.01990762 188 SER   A O     
1281 C  CB    A SER   A 77  ? 0.40744042 0.37605470 0.11553953 0.02535839  0.03117723  -0.01436120 188 SER   A CB    
1282 C  CB    B SER   A 77  ? 0.40357351 0.35872385 0.04744429 0.03155017  0.00395458  -0.02562913 188 SER   A CB    
1283 O  OG    A SER   A 77  ? 0.41399693 0.38618875 0.14383501 0.01755700  0.04300549  -0.00279574 188 SER   A OG    
1284 O  OG    B SER   A 77  ? 0.41191167 0.36882329 0.01415483 0.03235298  -0.00135438 -0.04539978 188 SER   A OG    
1285 H  H     A SER   A 77  ? 0.39821815 0.35968846 0.04692900 0.02182385  0.03029380  -0.01806518 188 SER   A H     
1286 H  H     B SER   A 77  ? 0.39795697 0.35432050 0.02717512 0.02269582  0.01916568  -0.02028453 188 SER   A H     
1287 H  HA    A SER   A 77  ? 0.39999866 0.35766986 0.07873274 0.02253680  0.02618806  -0.01505661 188 SER   A HA    
1288 H  HA    B SER   A 77  ? 0.39827839 0.35010046 0.04218993 0.02679710  0.01092946  -0.02081482 188 SER   A HA    
1289 H  HB2   A SER   A 77  ? 0.40707606 0.37487042 0.11168909 0.02379391  0.03255992  -0.01219875 188 SER   A HB2   
1290 H  HB2   B SER   A 77  ? 0.40443870 0.35886842 0.03923035 0.03128323  0.00443211  -0.02851656 188 SER   A HB2   
1291 H  HB3   A SER   A 77  ? 0.40715021 0.37424016 0.11185025 0.02357122  0.03276003  -0.01234972 188 SER   A HB3   
1292 H  HB3   B SER   A 77  ? 0.40468755 0.36035672 0.04046379 0.03190856  0.00515551  -0.02695304 188 SER   A HB3   
1293 H  HG    A SER   A 77  ? 0.36646602 0.36646602 0.36646602 0.00000000  0.00000000  0.00000000  188 SER   A HG    
1294 H  HG    B SER   A 77  ? 0.27989975 0.27989975 0.27989975 0.00000000  0.00000000  0.00000000  188 SER   A HG    
1295 N  N     . VAL   A 78  ? 0.37779069 0.34040818 0.04426073 0.02065524  0.01925174  -0.00982403 189 VAL   A N     
1296 C  CA    . VAL   A 78  ? 0.37052909 0.32682866 0.05587122 0.02077006  0.01680242  -0.00818883 189 VAL   A CA    
1297 C  C     . VAL   A 78  ? 0.36389109 0.30485821 0.04789884 0.02726818  0.02802541  -0.01392069 189 VAL   A C     
1298 O  O     . VAL   A 78  ? 0.38369271 0.31252128 0.02996895 0.03840321  0.02086762  -0.00434022 189 VAL   A O     
1299 C  CB    . VAL   A 78  ? 0.38519421 0.33681649 0.10358808 0.00827336  0.01249342  0.00800931  189 VAL   A CB    
1300 C  CG1   . VAL   A 78  ? 0.38587010 0.34579650 0.09628389 0.01752180  0.01704147  0.01209337  189 VAL   A CG1   
1301 C  CG2   . VAL   A 78  ? 0.39332706 0.35731542 0.13233013 0.00704599  0.02392628  0.03387455  189 VAL   A CG2   
1302 H  H     . VAL   A 78  ? 0.38107470 0.33904403 0.05438856 0.02076712  0.01882102  -0.01130631 189 VAL   A H     
1303 H  HA    . VAL   A 78  ? 0.37244985 0.32534713 0.05830947 0.02043644  0.01855158  -0.00803896 189 VAL   A HA    
1304 H  HB    . VAL   A 78  ? 0.38363737 0.33863372 0.09712338 0.01101815  0.01592150  0.00988618  189 VAL   A HB    
1305 H  HG11  . VAL   A 78  ? 0.38506213 0.34355262 0.10008203 0.01592080  0.01636606  0.01105504  189 VAL   A HG11  
1306 H  HG12  . VAL   A 78  ? 0.38455984 0.34308365 0.09920418 0.01595192  0.01661224  0.01061205  189 VAL   A HG12  
1307 H  HG13  . VAL   A 78  ? 0.38506383 0.34351131 0.09962377 0.01593018  0.01628913  0.01056435  189 VAL   A HG13  
1308 H  HG21  . VAL   A 78  ? 0.39116430 0.35282516 0.12576234 0.00788530  0.02158496  0.02804679  189 VAL   A HG21  
1309 H  HG22  . VAL   A 78  ? 0.39268798 0.35300115 0.12623811 0.00761764  0.02277578  0.02762131  189 VAL   A HG22  
1310 H  HG23  . VAL   A 78  ? 0.39116663 0.35538337 0.12926233 0.00807521  0.02183746  0.03134933  189 VAL   A HG23  
1311 N  N     . PHE   A 79  ? 0.36247757 0.28884229 0.01966348 0.03259330  0.03242083  -0.01150460 190 PHE   A N     
1312 C  CA    . PHE   A 79  ? 0.33933884 0.27265349 0.01859757 0.03713545  0.02602578  -0.02101404 190 PHE   A CA    
1313 C  C     . PHE   A 79  ? 0.35478228 0.28732976 0.01631926 0.04252136  0.01343667  -0.00997163 190 PHE   A C     
1314 O  O     . PHE   A 79  ? 0.40610963 0.30001742 0.04548868 0.05819621  -0.01685471 -0.02517146 190 PHE   A O     
1315 C  CB    . PHE   A 79  ? 0.31823149 0.27402624 0.02237995 0.04019298  0.01030701  -0.01362699 190 PHE   A CB    
1316 C  CG    . PHE   A 79  ? 0.30803365 0.26693666 0.02473173 0.03526936  0.01029356  -0.01887751 190 PHE   A CG    
1317 C  CD1   . PHE   A 79  ? 0.30627981 0.27232111 0.02440575 0.03585890  0.00575430  -0.02006307 190 PHE   A CD1   
1318 C  CD2   . PHE   A 79  ? 0.29646915 0.26526281 0.02561608 0.03020264  0.00081512  -0.01153953 190 PHE   A CD2   
1319 C  CE1   . PHE   A 79  ? 0.29860952 0.27087587 0.04465035 0.02903621  0.00578082  -0.02447419 190 PHE   A CE1   
1320 C  CE2   . PHE   A 79  ? 0.29787025 0.26116011 0.03965224 0.02726222  0.00998613  -0.02336597 190 PHE   A CE2   
1321 C  CZ    . PHE   A 79  ? 0.29048234 0.27101496 0.04176249 0.02786652  0.01579243  -0.02785198 190 PHE   A CZ    
1322 H  H     . PHE   A 79  ? 0.35763645 0.28817877 0.02185786 0.03279357  0.03063851  -0.01503117 190 PHE   A H     
1323 H  HA    . PHE   A 79  ? 0.34129190 0.27503315 0.01618912 0.03820591  0.02300588  -0.02006822 190 PHE   A HA    
1324 H  HB2   . PHE   A 79  ? 0.31843290 0.27280295 0.02300878 0.03868564  0.01265627  -0.01547243 190 PHE   A HB2   
1325 H  HB3   . PHE   A 79  ? 0.31985006 0.27303338 0.02420626 0.03884264  0.01329958  -0.01477990 190 PHE   A HB3   
1326 H  HD1   . PHE   A 79  ? 0.30479732 0.27110082 0.02526165 0.03414336  0.00550423  -0.02152494 190 PHE   A HD1   
1327 H  HD2   . PHE   A 79  ? 0.29779235 0.26456583 0.02824034 0.03013194  0.00440181  -0.01571318 190 PHE   A HD2   
1328 H  HE1   . PHE   A 79  ? 0.29799247 0.27068812 0.03935675 0.02997800  0.00758716  -0.02416788 190 PHE   A HE1   
1329 H  HE2   . PHE   A 79  ? 0.29634625 0.26373732 0.03920646 0.02808995  0.00959286  -0.02160722 190 PHE   A HE2   
1330 H  HZ    . PHE   A 79  ? 0.29264653 0.26901284 0.04045857 0.02772904  0.01354391  -0.02547782 190 PHE   A HZ    
1331 N  N     . PRO   A 80  ? 0.34708664 0.27944377 0.00858289 0.03356273  -0.00144289 -0.01046924 191 PRO   A N     
1332 C  CA    . PRO   A 80  ? 0.35714978 0.29879043 0.02961662 0.02864302  -0.01775984 0.00294455  191 PRO   A CA    
1333 C  C     . PRO   A 80  ? 0.34781849 0.30477354 0.04470028 0.02520054  -0.02477404 -0.00707833 191 PRO   A C     
1334 O  O     . PRO   A 80  ? 0.34630710 0.34707695 0.08687185 0.02133940  -0.04057128 0.01166602  191 PRO   A O     
1335 C  CB    . PRO   A 80  ? 0.35929528 0.29377648 0.05208013 0.03576016  -0.00295076 0.00197453  191 PRO   A CB    
1336 C  CG    . PRO   A 80  ? 0.36372739 0.28515577 0.06400470 0.03126460  -0.01108041 -0.00617291 191 PRO   A CG    
1337 C  CD    . PRO   A 80  ? 0.35016900 0.27916634 0.07000019 0.02963774  -0.00685196 -0.01813319 191 PRO   A CD    
1338 H  HA    . PRO   A 80  ? 0.35546076 0.29583192 0.03385756 0.02981968  -0.01500810 -0.00004812 191 PRO   A HA    
1339 H  HB2   . PRO   A 80  ? 0.35948274 0.29329401 0.04963934 0.03341625  -0.00699542 0.00065937  191 PRO   A HB2   
1340 H  HB3   . PRO   A 80  ? 0.35894138 0.29288986 0.04921989 0.03338116  -0.00660105 0.00088477  191 PRO   A HB3   
1341 H  HG2   . PRO   A 80  ? 0.36150596 0.28508213 0.06324501 0.03203073  -0.00988996 -0.00708866 191 PRO   A HG2   
1342 H  HG3   . PRO   A 80  ? 0.36053866 0.28516644 0.06308865 0.03206982  -0.00912368 -0.00697980 191 PRO   A HG3   
1343 H  HD2   . PRO   A 80  ? 0.35131586 0.28116819 0.06746427 0.03141434  -0.00710422 -0.01774976 191 PRO   A HD2   
1344 H  HD3   . PRO   A 80  ? 0.35062316 0.28046235 0.05727424 0.03081692  -0.00555468 -0.01489851 191 PRO   A HD3   
1345 N  N     . PHE   A 81  ? 0.33016178 0.28638434 0.01639760 0.03059106  -0.01590551 -0.03300832 192 PHE   A N     
1346 C  CA    . PHE   A 81  ? 0.31588823 0.27523449 0.02684304 0.03142042  -0.02207489 -0.04075106 192 PHE   A CA    
1347 C  C     . PHE   A 81  ? 0.32892531 0.28989893 0.04035671 0.03674036  -0.03123172 -0.05123207 192 PHE   A C     
1348 O  O     . PHE   A 81  ? 0.33581188 0.29169869 0.09463531 0.04328136  -0.03598989 -0.06435321 192 PHE   A O     
1349 C  CB    . PHE   A 81  ? 0.30531251 0.26199907 0.03041263 0.02757419  -0.01542599 -0.01949166 192 PHE   A CB    
1350 C  CG    . PHE   A 81  ? 0.29545420 0.25921693 0.00692364 0.02081881  -0.00680791 -0.01089627 192 PHE   A CG    
1351 C  CD1   . PHE   A 81  ? 0.29718840 0.25923747 0.00809368 0.01513185  -0.00599762 -0.00810198 192 PHE   A CD1   
1352 C  CD2   . PHE   A 81  ? 0.29801026 0.26024348 0.00686626 0.02025440  -0.01208756 0.00203645  192 PHE   A CD2   
1353 C  CE1   . PHE   A 81  ? 0.28779364 0.25914538 0.00666145 0.01847737  0.00220307  -0.00871007 192 PHE   A CE1   
1354 C  CE2   . PHE   A 81  ? 0.29334089 0.26531136 0.00661234 0.01117769  -0.00895679 -0.00010048 192 PHE   A CE2   
1355 C  CZ    . PHE   A 81  ? 0.29001439 0.26709223 0.00634067 0.01172971  -0.00103419 0.00101728  192 PHE   A CZ    
1356 H  H     . PHE   A 81  ? 0.33032554 0.28696445 0.02418388 0.03001155  -0.01854561 -0.02883385 192 PHE   A H     
1357 H  HA    . PHE   A 81  ? 0.31836084 0.27785903 0.02826623 0.03199962  -0.02161067 -0.03754843 192 PHE   A HA    
1358 H  HB2   . PHE   A 81  ? 0.30477893 0.26333103 0.02250248 0.02722661  -0.01463882 -0.02128126 192 PHE   A HB2   
1359 H  HB3   . PHE   A 81  ? 0.30515602 0.26347911 0.02262212 0.02708425  -0.01458827 -0.02140290 192 PHE   A HB3   
1360 H  HD1   . PHE   A 81  ? 0.29500392 0.25916880 0.00667018 0.01725693  -0.00400560 -0.00866652 192 PHE   A HD1   
1361 H  HD2   . PHE   A 81  ? 0.29612070 0.26097333 0.00670889 0.01861183  -0.01043240 -0.00110455 192 PHE   A HD2   
1362 H  HE1   . PHE   A 81  ? 0.28871793 0.25994498 0.00649798 0.01735331  -0.00037408 -0.00647641 192 PHE   A HE1   
1363 H  HE2   . PHE   A 81  ? 0.29222009 0.26415661 0.00654901 0.01292298  -0.00784453 0.00019804  192 PHE   A HE2   
1364 H  HZ    . PHE   A 81  ? 0.29005226 0.26548600 0.00634885 0.01308770  -0.00205357 -0.00069705 192 PHE   A HZ    
1365 N  N     . GLU   A 82  ? 0.33923760 0.29466262 0.04289510 0.04245597  -0.04285041 -0.05531743 193 GLU   A N     
1366 C  CA    . GLU   A 82  ? 0.34214783 0.29965198 0.05409808 0.04642069  -0.03432189 -0.06251122 193 GLU   A CA    
1367 C  C     . GLU   A 82  ? 0.36615449 0.28368986 0.03064974 0.04634398  -0.03123354 -0.04543109 193 GLU   A C     
1368 O  O     . GLU   A 82  ? 0.37715372 0.29336160 0.04056172 0.05779233  -0.02361147 -0.03968335 193 GLU   A O     
1369 C  CB    . GLU   A 82  ? 0.34910136 0.31316173 0.05207577 0.04378198  -0.01986193 -0.07778953 193 GLU   A CB    
1370 C  CG    . GLU   A 82  ? 0.35952079 0.34780303 0.09542692 0.04018866  -0.00694705 -0.06759396 193 GLU   A CG    
1371 C  CD    . GLU   A 82  ? 0.36858201 0.38182682 0.11960854 0.05324425  0.01156974  -0.08034167 193 GLU   A CD    
1372 O  OE1   . GLU   A 82  ? 0.38190854 0.39172754 0.14434390 0.05404079  0.01960026  -0.05088653 193 GLU   A OE1   
1373 O  OE2   . GLU   A 82  ? 0.40450126 0.39243728 0.19549012 0.05189507  0.02828639  -0.10005392 193 GLU   A OE2   
1374 H  H     . GLU   A 82  ? 0.33776832 0.29410398 0.04457903 0.04149316  -0.03827080 -0.05547316 193 GLU   A H     
1375 H  HA    . GLU   A 82  ? 0.34564316 0.29811269 0.04839453 0.04620369  -0.03342161 -0.06040774 193 GLU   A HA    
1376 H  HB2   . GLU   A 82  ? 0.34906843 0.31501645 0.06030221 0.04332335  -0.02062910 -0.07260776 193 GLU   A HB2   
1377 H  HB3   . GLU   A 82  ? 0.34901220 0.31338638 0.06042881 0.04301845  -0.02062638 -0.07305445 193 GLU   A HB3   
1378 H  HG2   . GLU   A 82  ? 0.35860789 0.34525079 0.08947085 0.04393396  -0.00576493 -0.07089990 193 GLU   A HG2   
1379 H  HG3   . GLU   A 82  ? 0.35891944 0.34430891 0.09316047 0.04344338  -0.00482541 -0.07174821 193 GLU   A HG3   
1380 N  N     . SER   A 83  ? 0.38734475 0.27725065 0.06833680 0.04840282  -0.03647880 -0.03349745 194 SER   A N     
1381 C  CA    . SER   A 83  ? 0.40647578 0.29433984 0.08122487 0.02829028  -0.01986786 -0.03482021 194 SER   A CA    
1382 C  C     . SER   A 83  ? 0.38298628 0.27448756 0.03663030 0.00620697  0.00611267  -0.02247279 194 SER   A C     
1383 O  O     . SER   A 83  ? 0.40070960 0.29772589 0.04014175 0.00887163  -0.00066012 -0.03775876 194 SER   A O     
1384 C  CB    . SER   A 83  ? 0.44258565 0.32199997 0.13819844 0.03637770  -0.02543119 -0.00414809 194 SER   A CB    
1385 O  OG    . SER   A 83  ? 0.47586516 0.37387368 0.24317802 0.04240011  -0.03919478 0.01514741  194 SER   A OG    
1386 H  H     . SER   A 83  ? 0.38452783 0.28188208 0.06233341 0.04496502  -0.03194509 -0.03681698 194 SER   A H     
1387 H  HA    . SER   A 83  ? 0.40180647 0.29002488 0.07611886 0.02828848  -0.01854731 -0.02822579 194 SER   A HA    
1388 H  HB2   . SER   A 83  ? 0.43808770 0.32270688 0.14044982 0.03666253  -0.02465970 -0.00621358 194 SER   A HB2   
1389 H  HB3   . SER   A 83  ? 0.43864140 0.32267565 0.14024328 0.03677262  -0.02454812 -0.00693205 194 SER   A HB3   
1390 H  HG    . SER   A 83  ? 0.47607023 0.47607023 0.47607023 0.00000000  0.00000000  0.00000000  194 SER   A HG    
1391 N  N     . GLY   A 84  ? 0.35309336 0.25579822 0.04270837 -0.00584578 -0.00311685 -0.01785652 195 GLY   A N     
1392 C  CA    . GLY   A 84  ? 0.34024069 0.25773829 0.05218759 -0.01517211 0.00203508  -0.02325021 195 GLY   A CA    
1393 C  C     . GLY   A 84  ? 0.32533482 0.25829563 0.03578402 -0.02454723 -0.01016837 -0.02142715 195 GLY   A C     
1394 O  O     . GLY   A 84  ? 0.32983890 0.28948179 0.05689425 -0.03644214 -0.00698643 0.01331253  195 GLY   A O     
1395 H  H     . GLY   A 84  ? 0.35650954 0.26022911 0.04349174 -0.00470700 -0.00051855 -0.01983096 195 GLY   A H     
1396 H  HA2   . GLY   A 84  ? 0.33923888 0.25715259 0.04741092 -0.01500632 -0.00119894 -0.02166358 195 GLY   A HA2   
1397 H  HA3   . GLY   A 84  ? 0.33962464 0.25736770 0.04783985 -0.01480339 -0.00133551 -0.02142708 195 GLY   A HA3   
1398 N  N     . LYS   A 85  ? 0.31324568 0.24520196 0.01199766 -0.01394422 -0.01171339 -0.02656939 196 LYS   A N     
1399 C  CA    . LYS   A 85  ? 0.30816922 0.24199346 0.01539821 -0.01350326 -0.00051421 -0.03332260 196 LYS   A CA    
1400 C  C     . LYS   A 85  ? 0.30801007 0.24498011 0.01072133 -0.01674458 0.00765600  -0.03200180 196 LYS   A C     
1401 O  O     . LYS   A 85  ? 0.32141459 0.25744122 0.01195314 -0.02099539 0.00626807  -0.03746318 196 LYS   A O     
1402 C  CB    . LYS   A 85  ? 0.30857658 0.25992647 0.00959600 -0.01359517 -0.00427372 -0.02827355 196 LYS   A CB    
1403 C  CG    . LYS   A 85  ? 0.30104622 0.25670299 0.01481104 -0.00469469 -0.00184861 -0.02813647 196 LYS   A CG    
1404 C  CD    . LYS   A 85  ? 0.29752755 0.27156326 0.01291479 0.00198464  -0.00308128 -0.02249746 196 LYS   A CD    
1405 C  CE    . LYS   A 85  ? 0.30675551 0.28237358 0.00774623 0.00282188  0.00767975  -0.01825817 196 LYS   A CE    
1406 N  NZ    . LYS   A 85  ? 0.30537048 0.28684786 0.00767565 0.01266226  0.00406521  -0.01881626 196 LYS   A NZ    
1407 H  H     . LYS   A 85  ? 0.31241488 0.24701746 0.01684741 -0.01556651 -0.01012814 -0.02675161 196 LYS   A H     
1408 H  HA    . LYS   A 85  ? 0.31014398 0.24603014 0.01029910 -0.01389323 -0.00048750 -0.03076826 196 LYS   A HA    
1409 H  HB2   . LYS   A 85  ? 0.30543378 0.25577164 0.00997497 -0.01191744 -0.00388273 -0.02974975 196 LYS   A HB2   
1410 H  HB3   . LYS   A 85  ? 0.30682603 0.25604174 0.00996257 -0.01175246 -0.00282311 -0.02985894 196 LYS   A HB3   
1411 H  HG2   . LYS   A 85  ? 0.30147946 0.25989604 0.01060077 -0.00507634 -0.00244472 -0.02733517 196 LYS   A HG2   
1412 H  HG3   . LYS   A 85  ? 0.30140680 0.25987697 0.01041832 -0.00504168 -0.00251445 -0.02728715 196 LYS   A HG3   
1413 H  HD2   . LYS   A 85  ? 0.29938620 0.27052438 0.00830313 0.00094986  -0.00020291 -0.02281643 196 LYS   A HD2   
1414 H  HD3   . LYS   A 85  ? 0.29920900 0.27045232 0.00828645 0.00103616  -0.00031211 -0.02271587 196 LYS   A HD3   
1415 H  HE2   . LYS   A 85  ? 0.30499610 0.28086311 0.00780257 0.00486661  0.00500108  -0.01942386 196 LYS   A HE2   
1416 H  HE3   . LYS   A 85  ? 0.30545941 0.28098416 0.00788875 0.00448449  0.00535731  -0.01994350 196 LYS   A HE3   
1417 H  HZ1   . LYS   A 85  ? 0.30407447 0.28464499 0.00758572 0.01096787  0.00425311  -0.01804702 196 LYS   A HZ1   
1418 H  HZ2   . LYS   A 85  ? 0.30523184 0.28528437 0.00765268 0.01084062  0.00501259  -0.01837380 196 LYS   A HZ2   
1419 H  HZ3   . LYS   A 85  ? 0.30471891 0.28437391 0.00770524 0.01077784  0.00504704  -0.01872328 196 LYS   A HZ3   
1420 N  N     . PRO   A 86  ? 0.30961272 0.24643041 0.00907934 -0.01014889 0.01553956  -0.02214539 197 PRO   A N     
1421 C  CA    . PRO   A 86  ? 0.31488580 0.25004664 0.01252263 -0.01226134 0.01121050  -0.02718563 197 PRO   A CA    
1422 C  C     . PRO   A 86  ? 0.31484649 0.24361604 0.01091001 -0.00950554 0.01299106  -0.03130604 197 PRO   A C     
1423 O  O     . PRO   A 86  ? 0.31319019 0.24312969 0.01037885 -0.01736013 0.02363996  -0.02424389 197 PRO   A O     
1424 C  CB    . PRO   A 86  ? 0.31515568 0.25556630 0.05760644 -0.01186372 0.00349237  -0.02543079 197 PRO   A CB    
1425 C  CG    . PRO   A 86  ? 0.33375829 0.26639831 0.04383374 -0.00720527 0.00488614  -0.01361106 197 PRO   A CG    
1426 C  CD    . PRO   A 86  ? 0.31925508 0.25880551 0.01886851 -0.01154093 -0.00062530 -0.02650488 197 PRO   A CD    
1427 H  HA    . PRO   A 86  ? 0.31379408 0.24885251 0.01359594 -0.01148482 0.01275696  -0.02790410 197 PRO   A HA    
1428 H  HB2   . PRO   A 86  ? 0.31780738 0.25591823 0.04481943 -0.01112759 0.00544897  -0.02380122 197 PRO   A HB2   
1429 H  HB3   . PRO   A 86  ? 0.31813625 0.25600919 0.04522420 -0.01104881 0.00522728  -0.02376194 197 PRO   A HB3   
1430 H  HG2   . PRO   A 86  ? 0.32813421 0.26294419 0.04138443 -0.00815037 0.00400177  -0.01853379 197 PRO   A HG2   
1431 H  HG3   . PRO   A 86  ? 0.32984245 0.26278812 0.04160789 -0.00809351 0.00528177  -0.01816159 197 PRO   A HG3   
1432 H  HD2   . PRO   A 86  ? 0.31983221 0.25697163 0.02037244 -0.01106790 0.00294055  -0.02317523 197 PRO   A HD2   
1433 H  HD3   . PRO   A 86  ? 0.31909382 0.25700814 0.01936311 -0.01054889 0.00400255  -0.02348364 197 PRO   A HD3   
1434 N  N     . PHE   A 87  ? 0.31216079 0.26083916 0.01103525 -0.00841506 0.02785411  -0.02423352 198 PHE   A N     
1435 C  CA    . PHE   A 87  ? 0.30799949 0.24881981 0.00825044 -0.00869630 0.01683782  -0.01587749 198 PHE   A CA    
1436 C  C     . PHE   A 87  ? 0.28116646 0.25193605 0.00781217 -0.00596882 0.00221699  -0.01899043 198 PHE   A C     
1437 O  O     . PHE   A 87  ? 0.27167681 0.25624952 0.00836611 -0.00518916 0.00077143  -0.02254166 198 PHE   A O     
1438 C  CB    . PHE   A 87  ? 0.32303205 0.24670343 0.00686204 -0.01204512 0.00262720  -0.01113602 198 PHE   A CB    
1439 C  CG    . PHE   A 87  ? 0.32923281 0.25153938 0.00671664 -0.01441368 -0.00127450 -0.00957097 198 PHE   A CG    
1440 C  CD1   . PHE   A 87  ? 0.32575330 0.25500673 0.01192236 -0.02552032 -0.01383129 -0.02461268 198 PHE   A CD1   
1441 C  CD2   . PHE   A 87  ? 0.35303369 0.25623766 0.01919877 -0.02684280 -0.00842278 -0.01543627 198 PHE   A CD2   
1442 C  CE1   . PHE   A 87  ? 0.33361438 0.26603895 0.01441080 -0.01698795 -0.01062366 -0.02097256 198 PHE   A CE1   
1443 C  CE2   . PHE   A 87  ? 0.36570764 0.27106494 0.02461398 -0.03713291 -0.00004326 -0.00696242 198 PHE   A CE2   
1444 C  CZ    . PHE   A 87  ? 0.35519558 0.28783253 0.00729620 -0.02973679 0.00080826  -0.01644858 198 PHE   A CZ    
1445 H  H     . PHE   A 87  ? 0.30630726 0.25412658 0.01064736 -0.00933774 0.02601320  -0.02338409 198 PHE   A H     
1446 H  HA    . PHE   A 87  ? 0.30164543 0.25020698 0.00858346 -0.00943659 0.01977276  -0.01565813 198 PHE   A HA    
1447 H  HB2   . PHE   A 87  ? 0.32119635 0.24808307 0.00699350 -0.01165662 0.00520868  -0.01196988 198 PHE   A HB2   
1448 H  HB3   . PHE   A 87  ? 0.32120579 0.24824966 0.00698224 -0.01194410 0.00514047  -0.01188289 198 PHE   A HB3   
1449 H  HD1   . PHE   A 87  ? 0.32707241 0.25705600 0.00837384 -0.02136225 -0.00978748 -0.02019110 198 PHE   A HD1   
1450 H  HD2   . PHE   A 87  ? 0.34966153 0.25772032 0.00839267 -0.02551972 -0.00465761 -0.01284106 198 PHE   A HD2   
1451 H  HE1   . PHE   A 87  ? 0.33582485 0.26697224 0.01213372 -0.02086468 -0.00861048 -0.02066838 198 PHE   A HE1   
1452 H  HE2   . PHE   A 87  ? 0.36100703 0.26906264 0.01902370 -0.03409234 -0.00117772 -0.00976734 198 PHE   A HE2   
1453 H  HZ    . PHE   A 87  ? 0.35071385 0.27968949 0.00751038 -0.02810396 -0.00017038 -0.01545914 198 PHE   A HZ    
1454 N  N     . LYS   A 88  ? 0.27382848 0.25476274 0.00920769 -0.00466921 -0.00078154 -0.02669706 199 LYS   A N     
1455 C  CA    . LYS   A 88  ? 0.27524358 0.24473907 0.00757431 -0.00653514 0.00314167  -0.01702026 199 LYS   A CA    
1456 C  C     . LYS   A 88  ? 0.26342893 0.24353363 0.00767962 -0.00442990 -0.00026569 -0.01786581 199 LYS   A C     
1457 O  O     . LYS   A 88  ? 0.27103090 0.29607514 0.01193149 -0.00620313 -0.00097268 -0.04023132 199 LYS   A O     
1458 C  CB    . LYS   A 88  ? 0.28983951 0.25202492 0.00817104 -0.00829396 -0.01112057 -0.01822685 199 LYS   A CB    
1459 C  CG    . LYS   A 88  ? 0.30460474 0.25386408 0.01959171 -0.00782930 -0.01161959 -0.01986494 199 LYS   A CG    
1460 C  CD    . LYS   A 88  ? 0.32041073 0.25715697 0.04707027 0.00093517  -0.01206546 -0.01083212 199 LYS   A CD    
1461 C  CE    . LYS   A 88  ? 0.33443508 0.27801502 0.03982867 0.00257610  -0.01286844 0.00251328  199 LYS   A CE    
1462 N  NZ    . LYS   A 88  ? 0.36604640 0.30512768 0.09754854 0.01497258  -0.01866803 0.03536872  199 LYS   A NZ    
1463 H  H     . LYS   A 88  ? 0.27216730 0.25163960 0.00859251 -0.00460409 0.00268986  -0.02344577 199 LYS   A H     
1464 H  HA    . LYS   A 88  ? 0.27617297 0.24728705 0.00795113 -0.00614410 -0.00137802 -0.01966824 199 LYS   A HA    
1465 H  HB2   . LYS   A 88  ? 0.28848389 0.25098613 0.00870964 -0.00771482 -0.00866184 -0.01809268 199 LYS   A HB2   
1466 H  HB3   . LYS   A 88  ? 0.28978655 0.25094488 0.00936860 -0.00772503 -0.00900303 -0.01797679 199 LYS   A HB3   
1467 H  HG2   . LYS   A 88  ? 0.30354729 0.25413719 0.02135518 -0.00630315 -0.01162343 -0.01774129 199 LYS   A HG2   
1468 H  HG3   . LYS   A 88  ? 0.30346358 0.25416628 0.02125540 -0.00621928 -0.01118332 -0.01787853 199 LYS   A HG3   
1469 H  HD2   . LYS   A 88  ? 0.31930465 0.25851277 0.03950334 -0.00017670 -0.01175582 -0.01021634 199 LYS   A HD2   
1470 H  HD3   . LYS   A 88  ? 0.31989044 0.25937909 0.03981145 -0.00001514 -0.01162750 -0.00983727 199 LYS   A HD3   
1471 H  HE2   . LYS   A 88  ? 0.33363453 0.27563539 0.05011556 0.00452757  -0.01354733 0.00492250  199 LYS   A HE2   
1472 H  HE3   . LYS   A 88  ? 0.33349028 0.27624261 0.05064688 0.00422395  -0.01387702 0.00520830  199 LYS   A HE3   
1473 H  HZ1   . LYS   A 88  ? 0.36121899 0.29860339 0.07987391 0.01395885  -0.01575043 0.02732556  199 LYS   A HZ1   
1474 H  HZ2   . LYS   A 88  ? 0.35853177 0.30288142 0.08058283 0.01128390  -0.01747980 0.02895754  199 LYS   A HZ2   
1475 H  HZ3   . LYS   A 88  ? 0.36171946 0.29816002 0.08485702 0.01272977  -0.02115062 0.02639413  199 LYS   A HZ3   
1476 N  N     . ILE   A 89  ? 0.25845897 0.23565549 0.00668766 -0.00862854 0.00411689  -0.00826052 200 ILE   A N     
1477 C  CA    . ILE   A 89  ? 0.25662598 0.24285007 0.00644736 -0.00321030 0.00400083  -0.00351843 200 ILE   A CA    
1478 C  C     . ILE   A 89  ? 0.25984102 0.23761937 0.00713246 -0.00486297 -0.00033783 -0.01358850 200 ILE   A C     
1479 O  O     . ILE   A 89  ? 0.25752214 0.24208462 0.02869746 -0.00189907 0.01537904  -0.02417946 200 ILE   A O     
1480 C  CB    . ILE   A 89  ? 0.25666657 0.25071067 0.00654071 -0.00065393 0.00711360  0.00119094  200 ILE   A CB    
1481 C  CG1   . ILE   A 89  ? 0.26213324 0.25158679 0.00691641 0.00882289  0.01065909  0.00621678  200 ILE   A CG1   
1482 C  CG2   . ILE   A 89  ? 0.26312792 0.24586706 0.00650410 0.00173875  0.00539464  -0.00369690 200 ILE   A CG2   
1483 C  CD1   . ILE   A 89  ? 0.26931912 0.25202349 0.00911095 0.01734807  0.01887887  0.01990067  200 ILE   A CD1   
1484 H  H     . ILE   A 89  ? 0.25864220 0.23868017 0.00674412 -0.00693499 0.00370216  -0.00920838 200 ILE   A H     
1485 H  HA    . ILE   A 89  ? 0.25621319 0.24174532 0.00655270 -0.00372461 0.00436284  -0.00588555 200 ILE   A HA    
1486 H  HB    . ILE   A 89  ? 0.25671881 0.24844579 0.00656773 0.00104825  0.00767321  0.00002739  200 ILE   A HB    
1487 H  HG12  . ILE   A 89  ? 0.26198387 0.25085503 0.00705111 0.00833976  0.01126234  0.00773744  200 ILE   A HG12  
1488 H  HG13  . ILE   A 89  ? 0.26225540 0.25076020 0.00700334 0.00795030  0.01095167  0.00736527  200 ILE   A HG13  
1489 H  HG21  . ILE   A 89  ? 0.26154524 0.24705030 0.00651421 0.00127332  0.00610055  -0.00290533 200 ILE   A HG21  
1490 H  HG22  . ILE   A 89  ? 0.26214850 0.24676903 0.00646201 0.00117769  0.00518203  -0.00240132 200 ILE   A HG22  
1491 H  HG23  . ILE   A 89  ? 0.26141489 0.24622412 0.00649008 0.00131259  0.00574201  -0.00257334 200 ILE   A HG23  
1492 H  HD11  . ILE   A 89  ? 0.26786134 0.25189105 0.00833575 0.01532178  0.01673211  0.01608628  200 ILE   A HD11  
1493 H  HD12  . ILE   A 89  ? 0.26749715 0.25225496 0.00836435 0.01537485  0.01693828  0.01611842  200 ILE   A HD12  
1494 H  HD13  . ILE   A 89  ? 0.26905185 0.25205266 0.00855416 0.01594319  0.01822660  0.01641119  200 ILE   A HD13  
1495 N  N     . GLN   A 90  ? 0.27213046 0.23499089 0.00793381 -0.00988197 0.00014131  -0.01912408 201 GLN   A N     
1496 C  CA    . GLN   A 90  ? 0.28050253 0.23617218 0.00816820 -0.00630600 0.00765548  -0.01947716 201 GLN   A CA    
1497 C  C     . GLN   A 90  ? 0.27403513 0.22612874 0.01092492 -0.00897553 0.01316036  -0.02986897 201 GLN   A C     
1498 O  O     . GLN   A 90  ? 0.28191122 0.26096767 0.01224432 -0.00968509 0.00807425  -0.03827279 201 GLN   A O     
1499 C  CB    . GLN   A 90  ? 0.30324879 0.23567878 0.00929802 -0.00724429 -0.00096689 -0.01260412 201 GLN   A CB    
1500 C  CG    . GLN   A 90  ? 0.32604787 0.26041180 0.03315346 -0.00627317 -0.01199539 -0.01671343 201 GLN   A CG    
1501 C  CD    . GLN   A 90  ? 0.38060391 0.27905998 0.05951662 -0.00689082 -0.02880958 0.00060960  201 GLN   A CD    
1502 O  OE1   . GLN   A 90  ? 0.44530940 0.31148767 0.01989045 -0.00926200 -0.02030805 -0.00051200 201 GLN   A OE1   
1503 N  NE2   . GLN   A 90  ? 0.40100706 0.30302456 0.09447651 0.00528332  -0.03036293 -0.00819249 201 GLN   A NE2   
1504 H  H     . GLN   A 90  ? 0.27046067 0.23570350 0.00769263 -0.00812043 0.00151430  -0.01764281 201 GLN   A H     
1505 H  HA    . GLN   A 90  ? 0.28031304 0.23414214 0.00827670 -0.00713459 0.00596694  -0.02047649 201 GLN   A HA    
1506 H  HB2   . GLN   A 90  ? 0.30183038 0.23938131 0.01090446 -0.00711698 -0.00122533 -0.01493567 201 GLN   A HB2   
1507 H  HB3   . GLN   A 90  ? 0.30173323 0.23818363 0.01094502 -0.00713937 -0.00096881 -0.01528979 201 GLN   A HB3   
1508 H  HG2   . GLN   A 90  ? 0.32742882 0.25759280 0.03199647 -0.00557912 -0.01158994 -0.01268602 201 GLN   A HG2   
1509 H  HG3   . GLN   A 90  ? 0.32731652 0.25783962 0.03143555 -0.00574434 -0.01185512 -0.01249131 201 GLN   A HG3   
1510 H  HE21  . GLN   A 90  ? 0.39607608 0.29514924 0.08797736 0.00190276  -0.03278815 -0.00690291 201 GLN   A HE21  
1511 H  HE22  . GLN   A 90  ? 0.39591417 0.29765207 0.09027649 0.00141633  -0.02968659 -0.00996846 201 GLN   A HE22  
1512 N  N     . VAL   A 91  ? 0.26708764 0.22814575 0.00840611 -0.00876606 0.00739779  -0.02056700 202 VAL   A N     
1513 C  CA    . VAL   A 91  ? 0.27054343 0.22857401 0.00743349 -0.00731266 0.00759877  -0.01420746 202 VAL   A CA    
1514 C  C     . VAL   A 91  ? 0.27300459 0.22987136 0.00674763 -0.01150722 0.00395876  -0.00908526 202 VAL   A C     
1515 O  O     . VAL   A 91  ? 0.27837625 0.22512634 0.02879022 -0.00137814 0.00736537  -0.01121419 202 VAL   A O     
1516 C  CB    . VAL   A 91  ? 0.28447184 0.22818609 0.00754738 -0.00325385 0.01169187  -0.01280345 202 VAL   A CB    
1517 C  CG1   . VAL   A 91  ? 0.28966191 0.23185854 0.00879841 -0.00478660 0.00409589  -0.00990023 202 VAL   A CG1   
1518 C  CG2   . VAL   A 91  ? 0.28146985 0.23115195 0.00698439 -0.00345590 0.00861454  -0.00937563 202 VAL   A CG2   
1519 H  H     . VAL   A 91  ? 0.26862007 0.22764541 0.00863195 -0.00833891 0.00880057  -0.02132730 202 VAL   A H     
1520 H  HA    . VAL   A 91  ? 0.27167010 0.22861677 0.00749384 -0.00744719 0.00800830  -0.01451502 202 VAL   A HA    
1521 H  HB    . VAL   A 91  ? 0.28162342 0.22888243 0.00734655 -0.00393037 0.00956613  -0.01245085 202 VAL   A HB    
1522 H  HG11  . VAL   A 91  ? 0.28939274 0.23089215 0.00694432 -0.00500825 0.00556219  -0.01071836 202 VAL   A HG11  
1523 H  HG12  . VAL   A 91  ? 0.28829935 0.23113261 0.00697731 -0.00466163 0.00604636  -0.01085867 202 VAL   A HG12  
1524 H  HG13  . VAL   A 91  ? 0.28836679 0.23115543 0.00718823 -0.00453480 0.00588123  -0.01210690 202 VAL   A HG13  
1525 H  HG21  . VAL   A 91  ? 0.28175777 0.22892816 0.00694583 -0.00363216 0.01029691  -0.00726373 202 VAL   A HG21  
1526 H  HG22  . VAL   A 91  ? 0.28137523 0.22977024 0.00706296 -0.00358666 0.00947528  -0.00962301 202 VAL   A HG22  
1527 H  HG23  . VAL   A 91  ? 0.28190351 0.22985691 0.00705805 -0.00352213 0.00958958  -0.00947946 202 VAL   A HG23  
1528 N  N     . LEU   A 92  ? 0.28613061 0.22596239 0.00705706 -0.01512779 0.00802448  -0.01083425 203 LEU   A N     
1529 C  CA    . LEU   A 92  ? 0.30173215 0.23384127 0.01919748 -0.00813902 0.00354961  -0.00595772 203 LEU   A CA    
1530 C  C     . LEU   A 92  ? 0.29679200 0.22634876 0.01826190 -0.00886542 0.00615738  -0.01165146 203 LEU   A C     
1531 O  O     . LEU   A 92  ? 0.29772893 0.23611072 0.02751245 -0.00237421 0.00027252  -0.01993682 203 LEU   A O     
1532 C  CB    . LEU   A 92  ? 0.32656649 0.25367996 0.02178822 -0.00774144 0.00678632  0.00358111  203 LEU   A CB    
1533 C  CG    . LEU   A 92  ? 0.36685371 0.26843229 0.06183236 -0.00533362 0.00539302  0.01182757  203 LEU   A CG    
1534 C  CD1   . LEU   A 92  ? 0.37903413 0.27469453 0.05546604 -0.00096638 0.00046154  0.02517626  203 LEU   A CD1   
1535 C  CD2   . LEU   A 92  ? 0.40040818 0.29402941 0.08961448 0.00138088  0.03640836  0.03035454  203 LEU   A CD2   
1536 H  H     . LEU   A 92  ? 0.28553253 0.22811109 0.00690467 -0.01292321 0.00648059  -0.00995732 203 LEU   A H     
1537 H  HA    . LEU   A 92  ? 0.30106536 0.23362245 0.01517410 -0.00929983 0.00523128  -0.00626320 203 LEU   A HA    
1538 H  HB2   . LEU   A 92  ? 0.32578138 0.25106505 0.02753366 -0.00754216 0.00532114  0.00300938  203 LEU   A HB2   
1539 H  HB3   . LEU   A 92  ? 0.32632470 0.25140336 0.02785738 -0.00750054 0.00560460  0.00324688  203 LEU   A HB3   
1540 H  HG    . LEU   A 92  ? 0.36268619 0.26852563 0.05489078 -0.00420927 0.00933772  0.01498021  203 LEU   A HG    
1541 H  HD11  . LEU   A 92  ? 0.37405860 0.27179536 0.05672049 -0.00219411 0.00260422  0.02126059  203 LEU   A HD11  
1542 H  HD12  . LEU   A 92  ? 0.37557957 0.27293712 0.05781703 -0.00198724 0.00212796  0.02139777  203 LEU   A HD12  
1543 H  HD13  . LEU   A 92  ? 0.37602058 0.27260849 0.05805164 -0.00184747 0.00246713  0.02168995  203 LEU   A HD13  
1544 H  HD21  . LEU   A 92  ? 0.39468503 0.28899753 0.08342906 0.00016791  0.02920319  0.02652587  203 LEU   A HD21  
1545 H  HD22  . LEU   A 92  ? 0.39528710 0.28899035 0.08546830 0.00266273  0.03236612  0.02832474  203 LEU   A HD22  
1546 H  HD23  . LEU   A 92  ? 0.39252341 0.29014474 0.08255325 0.00098278  0.02934194  0.02606790  203 LEU   A HD23  
1547 N  N     . VAL   A 93  ? 0.30354264 0.23563878 0.00680915 -0.00639429 0.00271289  -0.01023390 204 VAL   A N     
1548 C  CA    . VAL   A 93  ? 0.30903849 0.22725810 0.01333350 -0.01187607 0.00292604  -0.01476154 204 VAL   A CA    
1549 C  C     . VAL   A 93  ? 0.31529728 0.23514147 0.00652093 -0.01389956 -0.00505758 -0.00468049 204 VAL   A C     
1550 O  O     . VAL   A 93  ? 0.31836420 0.24584861 0.03978087 -0.00844116 -0.00198964 0.01474790  204 VAL   A O     
1551 C  CB    . VAL   A 93  ? 0.32482687 0.23372176 0.01126922 -0.01292579 0.01390359  -0.01334954 204 VAL   A CB    
1552 C  CG1   . VAL   A 93  ? 0.33010820 0.23882197 0.02492307 -0.01391757 0.01286225  -0.02553604 204 VAL   A CG1   
1553 C  CG2   . VAL   A 93  ? 0.33895308 0.24969260 0.02795953 -0.02011214 0.02066926  -0.01754033 204 VAL   A CG2   
1554 H  H     . VAL   A 93  ? 0.30322438 0.23228209 0.01017049 -0.00776369 0.00354070  -0.01166560 204 VAL   A H     
1555 H  HA    . VAL   A 93  ? 0.31109017 0.23054589 0.00745160 -0.01142953 0.00336376  -0.01186286 204 VAL   A HA    
1556 H  HB    . VAL   A 93  ? 0.32399613 0.23473674 0.01643379 -0.01318145 0.01258285  -0.01571552 204 VAL   A HB    
1557 H  HG11  . VAL   A 93  ? 0.32930845 0.23823561 0.02136958 -0.01412231 0.01315579  -0.02254345 204 VAL   A HG11  
1558 H  HG12  . VAL   A 93  ? 0.32913387 0.23854217 0.02126823 -0.01319250 0.01269229  -0.02258569 204 VAL   A HG12  
1559 H  HG13  . VAL   A 93  ? 0.32924807 0.23785488 0.02193957 -0.01384514 0.01246398  -0.02213609 204 VAL   A HG13  
1560 H  HG21  . VAL   A 93  ? 0.33618015 0.24587230 0.02553664 -0.01878492 0.01881766  -0.01570072 204 VAL   A HG21  
1561 H  HG22  . VAL   A 93  ? 0.33611366 0.24582873 0.02530006 -0.01804655 0.02039658  -0.01567179 204 VAL   A HG22  
1562 H  HG23  . VAL   A 93  ? 0.33640268 0.24685465 0.02439416 -0.01949907 0.01983499  -0.01664711 204 VAL   A HG23  
1563 N  N     . GLU   A 94  ? 0.32342261 0.23294826 0.00646921 -0.01852676 0.00018119  0.00553846  205 GLU   A N     
1564 C  CA    . GLU   A 94  ? 0.34185213 0.24746145 0.00649047 -0.02468407 -0.00458242 0.00511281  205 GLU   A CA    
1565 C  C     . GLU   A 94  ? 0.34415218 0.23764966 0.00741778 -0.02766131 -0.00340264 0.01579371  205 GLU   A C     
1566 O  O     . GLU   A 94  ? 0.35180852 0.24078117 0.00664674 -0.02877453 -0.00353149 0.00832686  205 GLU   A O     
1567 C  CB    . GLU   A 94  ? 0.36034057 0.26604977 0.00673610 -0.01765686 0.00069773  0.01016762  205 GLU   A CB    
1568 C  CG    . GLU   A 94  ? 0.37936881 0.27812603 0.01452021 -0.01178653 -0.01918583 0.00986851  205 GLU   A CG    
1569 C  CD    . GLU   A 94  ? 0.42091691 0.34705219 0.12361550 -0.00101300 0.04864883  0.02391961  205 GLU   A CD    
1570 O  OE1   . GLU   A 94  ? 0.44512278 0.37426531 0.25999495 0.02080701  0.07304433  0.05211071  205 GLU   A OE1   
1571 O  OE2   . GLU   A 94  ? 0.53713512 0.45187441 0.12536536 -0.00316154 0.03126457  0.02688561  205 GLU   A OE2   
1572 H  H     . GLU   A 94  ? 0.32426813 0.23405802 0.00640645 -0.01779021 -0.00212602 0.00379654  205 GLU   A H     
1573 H  HA    . GLU   A 94  ? 0.34130850 0.24575041 0.00656514 -0.02367625 -0.00187758 0.00739821  205 GLU   A HA    
1574 H  HB2   . GLU   A 94  ? 0.35905764 0.26419789 0.00665149 -0.01858055 -0.00408848 0.00856705  205 GLU   A HB2   
1575 H  HB3   . GLU   A 94  ? 0.35902035 0.26378724 0.00667032 -0.01834279 -0.00403624 0.00885769  205 GLU   A HB3   
1576 H  HG2   . GLU   A 94  ? 0.37720853 0.28132820 0.01959344 -0.00973745 -0.00385701 0.01355869  205 GLU   A HG2   
1577 H  HG3   . GLU   A 94  ? 0.37749594 0.28137863 0.01920579 -0.01032618 -0.00381771 0.01324783  205 GLU   A HG3   
1578 N  N     . PRO   A 95  ? 0.35337293 0.22450681 0.00681672 -0.02901834 0.00961696  0.00604831  206 PRO   A N     
1579 C  CA    . PRO   A 95  ? 0.35256320 0.23178071 0.01345390 -0.03235600 0.01387551  -0.01415042 206 PRO   A CA    
1580 C  C     . PRO   A 95  ? 0.34819907 0.23378219 0.00793658 -0.03907476 0.01282419  -0.01728970 206 PRO   A C     
1581 O  O     . PRO   A 95  ? 0.36251593 0.27098677 0.00920059 -0.05147076 0.01468424  -0.02624634 206 PRO   A O     
1582 C  CB    . PRO   A 95  ? 0.35414094 0.23543395 0.04389454 -0.03468851 0.01579943  -0.00720227 206 PRO   A CB    
1583 C  CG    . PRO   A 95  ? 0.36308584 0.23753330 0.03866038 -0.02856155 0.02443953  0.01628329  206 PRO   A CG    
1584 C  CD    . PRO   A 95  ? 0.36118492 0.23887342 0.01383049 -0.03076552 0.01114401  0.02355097  206 PRO   A CD    
1585 H  HA    . PRO   A 95  ? 0.35129461 0.23112883 0.01242515 -0.03308801 0.01372286  -0.01023113 206 PRO   A HA    
1586 H  HB2   . PRO   A 95  ? 0.35521436 0.23454224 0.03613733 -0.03311383 0.01699371  -0.00392568 206 PRO   A HB2   
1587 H  HB3   . PRO   A 95  ? 0.35497880 0.23460464 0.03657945 -0.03299865 0.01715061  -0.00367401 206 PRO   A HB3   
1588 H  HG2   . PRO   A 95  ? 0.36042774 0.23650689 0.03432944 -0.03035469 0.02051239  0.01387795  206 PRO   A HG2   
1589 H  HG3   . PRO   A 95  ? 0.36054152 0.23700882 0.03469840 -0.02999805 0.02021101  0.01333771  206 PRO   A HG3   
1590 H  HD2   . PRO   A 95  ? 0.36087376 0.23575422 0.01421849 -0.03062912 0.01194881  0.01886798  206 PRO   A HD2   
1591 H  HD3   . PRO   A 95  ? 0.35946575 0.23557870 0.01318998 -0.03021349 0.01283167  0.01847280  206 PRO   A HD3   
1592 N  N     . ASP   A 96  ? 0.34665456 0.23313765 0.00682146 -0.03717288 0.01152075  -0.00595129 207 ASP   A N     
1593 C  CA    . ASP   A 96  ? 0.32953757 0.24413140 0.00962856 -0.03564486 0.00533879  -0.01319819 207 ASP   A CA    
1594 C  C     . ASP   A 96  ? 0.30974329 0.24209566 0.00686140 -0.03367666 0.01241397  -0.00358026 207 ASP   A C     
1595 O  O     . ASP   A 96  ? 0.30764955 0.24519841 0.03293758 -0.03097250 0.00049447  -0.00462045 207 ASP   A O     
1596 C  CB    . ASP   A 96  ? 0.33508286 0.25033492 0.02421047 -0.04060393 0.01193753  -0.01283271 207 ASP   A CB    
1597 C  CG    . ASP   A 96  ? 0.34114000 0.26047933 0.02619510 -0.04616956 0.01967329  -0.02989173 207 ASP   A CG    
1598 O  OD1   . ASP   A 96  ? 0.34638503 0.26932207 0.04324906 -0.03533605 0.03181427  -0.03414460 207 ASP   A OD1   
1599 O  OD2   . ASP   A 96  ? 0.36298972 0.27656725 0.03612830 -0.05819589 0.02767428  -0.01966519 207 ASP   A OD2   
1600 H  H     . ASP   A 96  ? 0.34283382 0.23488650 0.00689828 -0.03735214 0.00657040  -0.01063680 207 ASP   A H     
1601 H  HA    . ASP   A 96  ? 0.32980397 0.24274209 0.00902692 -0.03648769 0.00866940  -0.01240655 207 ASP   A HA    
1602 H  HB2   . ASP   A 96  ? 0.33501676 0.25071266 0.02406625 -0.04074476 0.01169401  -0.01632835 207 ASP   A HB2   
1603 H  HB3   . ASP   A 96  ? 0.33464271 0.25046000 0.02159590 -0.04054134 0.01166476  -0.01618122 207 ASP   A HB3   
1604 N  N     . HIS   A 97  ? 0.31984839 0.23251809 0.00656415 -0.03795835 0.00132295  0.00691633  208 HIS   A N     
1605 C  CA    . HIS   A 97  ? 0.32283965 0.22991782 0.00698716 -0.03304853 0.01335410  -0.00587378 208 HIS   A CA    
1606 C  C     . HIS   A 97  ? 0.32336777 0.21247897 0.00634063 -0.02345793 0.00122363  -0.00091526 208 HIS   A C     
1607 O  O     . HIS   A 97  ? 0.32724437 0.21753539 0.01139383 -0.02383718 -0.01688665 0.00473153  208 HIS   A O     
1608 C  CB    . HIS   A 97  ? 0.32551706 0.25491217 0.06852594 -0.02700108 0.03863287  -0.02120041 208 HIS   A CB    
1609 C  CG    . HIS   A 97  ? 0.34065419 0.26447672 0.10095796 -0.03024795 0.03262846  -0.00016167 208 HIS   A CG    
1610 N  ND1   . HIS   A 97  ? 0.36394486 0.28973243 0.15794888 -0.02991556 0.04984405  0.03344309  208 HIS   A ND1   
1611 C  CD2   . HIS   A 97  ? 0.34170210 0.29963914 0.09880741 -0.02916077 0.03305736  0.01646670  208 HIS   A CD2   
1612 C  CE1   . HIS   A 97  ? 0.35584170 0.30056295 0.13235390 -0.03670265 0.05259458  0.02023503  208 HIS   A CE1   
1613 N  NE2   . HIS   A 97  ? 0.35111332 0.32041270 0.10116233 -0.02658260 0.04359674  0.02618112  208 HIS   A NE2   
1614 H  H     . HIS   A 97  ? 0.31830510 0.23286301 0.00647549 -0.03532949 0.00594552  0.00189351  208 HIS   A H     
1615 H  HA    . HIS   A 97  ? 0.32097971 0.22743800 0.00663525 -0.02990585 0.00972162  -0.00021409 208 HIS   A HA    
1616 H  HB2   . HIS   A 97  ? 0.32769346 0.25155181 0.04449739 -0.02878301 0.03095406  -0.01275572 208 HIS   A HB2   
1617 H  HB3   . HIS   A 97  ? 0.32926700 0.25014362 0.04542562 -0.02955738 0.03185496  -0.01322736 208 HIS   A HB3   
1618 H  HD1   . HIS   A 97  ? 0.22397046 0.22397046 0.22397046 0.00000000  0.00000000  0.00000000  208 HIS   A HD1   
1619 H  HD2   . HIS   A 97  ? 0.34229395 0.29439282 0.10048454 -0.02880818 0.03547556  0.01445984  208 HIS   A HD2   
1620 H  HE1   . HIS   A 97  ? 0.35549957 0.30085510 0.13065888 -0.03355575 0.05052546  0.02427934  208 HIS   A HE1   
1621 H  HE2   . HIS   A 97  ? 0.21529484 0.21529484 0.21529484 0.00000000  0.00000000  0.00000000  208 HIS   A HE2   
1622 N  N     . PHE   A 98  ? 0.31614539 0.21665312 0.00687764 -0.02929948 -0.00698138 0.00963109  209 PHE   A N     
1623 C  CA    . PHE   A 98  ? 0.31051359 0.22527356 0.00771851 -0.02277374 -0.01970460 0.00635204  209 PHE   A CA    
1624 C  C     . PHE   A 98  ? 0.31479257 0.23388858 0.00750066 -0.01394748 -0.01646446 0.00428584  209 PHE   A C     
1625 O  O     . PHE   A 98  ? 0.32396710 0.25674713 0.00945985 0.00106893  -0.03109713 -0.00465786 209 PHE   A O     
1626 C  CB    . PHE   A 98  ? 0.31283814 0.21752164 0.01635278 -0.02680647 -0.01737154 0.00067781  209 PHE   A CB    
1627 C  CG    . PHE   A 98  ? 0.32643986 0.22874945 0.00881380 -0.03230857 -0.01917609 -0.00007993 209 PHE   A CG    
1628 C  CD1   . PHE   A 98  ? 0.33384767 0.24011622 0.00661294 -0.02511734 -0.00902753 -0.00201157 209 PHE   A CD1   
1629 C  CD2   . PHE   A 98  ? 0.33637077 0.23277424 0.01581009 -0.03820038 -0.02718020 0.00305931  209 PHE   A CD2   
1630 C  CE1   . PHE   A 98  ? 0.34324351 0.24716814 0.01295868 -0.02206763 0.00719694  -0.00768081 209 PHE   A CE1   
1631 C  CE2   . PHE   A 98  ? 0.34849036 0.24382554 0.01377404 -0.03513607 -0.02835973 0.00499145  209 PHE   A CE2   
1632 C  CZ    . PHE   A 98  ? 0.35068804 0.24031386 0.01639893 -0.03273392 -0.00111955 -0.00833184 209 PHE   A CZ    
1633 H  H     . PHE   A 98  ? 0.31593537 0.21677829 0.00672521 -0.02638422 -0.00788948 0.00698809  209 PHE   A H     
1634 H  HA    . PHE   A 98  ? 0.31222096 0.22350179 0.00730627 -0.02301229 -0.01639118 0.00576565  209 PHE   A HA    
1635 H  HB2   . PHE   A 98  ? 0.31441328 0.22062854 0.01196059 -0.02637443 -0.01829848 0.00184279  209 PHE   A HB2   
1636 H  HB3   . PHE   A 98  ? 0.31460831 0.22097433 0.01194119 -0.02672496 -0.01829613 0.00175886  209 PHE   A HB3   
1637 H  HD1   . PHE   A 98  ? 0.33239055 0.23848377 0.00665703 -0.02559251 -0.00968658 -0.00214504 209 PHE   A HD1   
1638 H  HD2   . PHE   A 98  ? 0.33664104 0.23426838 0.01411915 -0.03635173 -0.02531870 0.00264601  209 PHE   A HD2   
1639 H  HE1   . PHE   A 98  ? 0.34172267 0.24387483 0.01004265 -0.02457485 0.00153736  -0.00652199 209 PHE   A HE1   
1640 H  HE2   . PHE   A 98  ? 0.34466755 0.24064149 0.01092410 -0.03489109 -0.02449493 0.00259895  209 PHE   A HE2   
1641 H  HZ    . PHE   A 98  ? 0.34809351 0.24184860 0.01325448 -0.03105939 -0.00461791 -0.00585847 209 PHE   A HZ    
1642 N  N     . LYS   A 99  ? 0.31467646 0.24160181 0.00642182 -0.01386743 -0.00213275 0.00427654  210 LYS   A N     
1643 C  CA    . LYS   A 99  ? 0.31790769 0.27490476 0.00651368 -0.01996335 0.00740989  0.00066777  210 LYS   A CA    
1644 C  C     . LYS   A 99  ? 0.29997480 0.25593480 0.00768104 -0.01329158 0.01980391  0.00089163  210 LYS   A C     
1645 O  O     . LYS   A 99  ? 0.30773592 0.25482368 0.08708708 -0.00841431 0.01170605  -0.04267058 210 LYS   A O     
1646 C  CB    . LYS   A 99  ? 0.34529480 0.28841141 0.03790040 -0.01683603 -0.00454219 0.02322705  210 LYS   A CB    
1647 C  CG    . LYS   A 99  ? 0.38405478 0.32804307 0.05925042 -0.01438662 0.00768609  0.00351526  210 LYS   A CG    
1648 C  CD    . LYS   A 99  ? 0.42493701 0.35029367 0.12684166 -0.00972125 0.02065356  0.03451155  210 LYS   A CD    
1649 C  CE    . LYS   A 99  ? 0.44438314 0.39498308 0.17381963 0.01220362  0.02041338  0.02006824  210 LYS   A CE    
1650 H  H     . LYS   A 99  ? 0.31407982 0.24465717 0.00641915 -0.01442413 -0.00328539 0.00365217  210 LYS   A H     
1651 H  HA    . LYS   A 99  ? 0.31799349 0.26709539 0.00656662 -0.01807421 0.00626570  0.00493465  210 LYS   A HA    
1652 H  HB2   . LYS   A 99  ? 0.34452426 0.29151064 0.02795115 -0.01625638 0.00076324  0.01449715  210 LYS   A HB2   
1653 H  HB3   . LYS   A 99  ? 0.34401566 0.29097170 0.02783522 -0.01638507 0.00075880  0.01422416  210 LYS   A HB3   
1654 H  HG2   . LYS   A 99  ? 0.37985128 0.32127863 0.06439798 -0.01441108 0.00668703  0.01353893  210 LYS   A HG2   
1655 H  HG3   . LYS   A 99  ? 0.38072979 0.32161954 0.06418058 -0.01570177 0.00698353  0.01348059  210 LYS   A HG3   
1656 H  HD2   . LYS   A 99  ? 0.42049542 0.35270512 0.12191565 -0.00729951 0.01521731  0.02861399  210 LYS   A HD2   
1657 H  HD3   . LYS   A 99  ? 0.41894287 0.35269320 0.11591768 -0.00486876 0.01892696  0.02766774  210 LYS   A HD3   
1658 H  HE2   . LYS   A 99  ? 0.43783304 0.37903467 0.16346836 0.00593156  0.01846972  0.02806217  210 LYS   A HE2   
1659 H  HE3   . LYS   A 99  ? 0.46106201 0.46106201 0.46106201 0.00000000  0.00000000  0.00000000  210 LYS   A HE3   
1660 N  N     . VAL   A 100 ? 0.28843868 0.24713804 0.00824758 -0.00969911 0.02306281  0.00187325  211 VAL   A N     
1661 C  CA    . VAL   A 100 ? 0.29126287 0.24198672 0.00824884 -0.00906009 0.02330847  0.00075682  211 VAL   A CA    
1662 C  C     . VAL   A 100 ? 0.27754658 0.22601770 0.00796017 -0.01054078 0.02100992  -0.00073338 211 VAL   A C     
1663 O  O     . VAL   A 100 ? 0.26706704 0.23438923 0.01080880 -0.00603176 0.00842340  -0.00147598 211 VAL   A O     
1664 C  CB    . VAL   A 100 ? 0.30689114 0.24423046 0.00829048 -0.00734972 0.02403985  -0.00347655 211 VAL   A CB    
1665 C  CG1   . VAL   A 100 ? 0.31164700 0.25559375 0.00965898 -0.01390291 0.02837403  0.01180100  211 VAL   A CG1   
1666 C  CG2   . VAL   A 100 ? 0.31826490 0.24903060 0.00860527 -0.00823007 0.02611925  -0.00524586 211 VAL   A CG2   
1667 H  H     . VAL   A 100 ? 0.28996399 0.24769466 0.00813809 -0.00995307 0.02250743  0.00137524  211 VAL   A H     
1668 H  HA    . VAL   A 100 ? 0.29050589 0.24074702 0.00813236 -0.00939231 0.02260854  -0.00024791 211 VAL   A HA    
1669 H  HB    . VAL   A 100 ? 0.30550170 0.24633147 0.00842485 -0.00844143 0.02501880  -0.00074501 211 VAL   A HB    
1670 H  HG11  . VAL   A 100 ? 0.31097370 0.25255102 0.00901369 -0.01272050 0.02679976  0.00779597  211 VAL   A HG11  
1671 H  HG12  . VAL   A 100 ? 0.30985051 0.25296277 0.00936900 -0.01240047 0.02744704  0.01055981  211 VAL   A HG12  
1672 H  HG13  . VAL   A 100 ? 0.31011000 0.25299913 0.00903524 -0.01241722 0.02711443  0.00723056  211 VAL   A HG13  
1673 H  HG21  . VAL   A 100 ? 0.31509987 0.24821164 0.00851052 -0.00798731 0.02546461  -0.00499555 211 VAL   A HG21  
1674 H  HG22  . VAL   A 100 ? 0.31535712 0.24801876 0.00849883 -0.00755942 0.02547247  -0.00463337 211 VAL   A HG22  
1675 H  HG23  . VAL   A 100 ? 0.31556457 0.24789013 0.00845983 -0.00817698 0.02524804  -0.00465295 211 VAL   A HG23  
1676 N  N     . ALA   A 101 ? 0.28550991 0.23330121 0.00686433 -0.01135403 0.01214471  0.00038827  212 ALA   A N     
1677 C  CA    . ALA   A 101 ? 0.29093084 0.23618957 0.00706864 -0.01126711 0.01441127  -0.00177400 212 ALA   A CA    
1678 C  C     . ALA   A 101 ? 0.29405034 0.23578951 0.00757400 -0.00860740 0.00654557  -0.01601994 212 ALA   A C     
1679 O  O     . ALA   A 101 ? 0.28570139 0.24159819 0.01035609 -0.01146575 0.01533791  -0.02796048 212 ALA   A O     
1680 C  CB    . ALA   A 101 ? 0.30689257 0.22706759 0.00641477 -0.01491694 -0.00331265 0.00333459  212 ALA   A CB    
1681 H  H     . ALA   A 101 ? 0.28473589 0.23217279 0.00706316 -0.01138872 0.01425853  -0.00031305 212 ALA   A H     
1682 H  HA    . ALA   A 101 ? 0.29100090 0.23396055 0.00677824 -0.01052185 0.01077814  -0.00332050 212 ALA   A HA    
1683 H  HB1   . ALA   A 101 ? 0.30331707 0.23059486 0.00636716 -0.01427853 0.00190891  0.00214159  212 ALA   A HB1   
1684 H  HB2   . ALA   A 101 ? 0.30448452 0.23050754 0.00636944 -0.01513233 0.00148925  0.00248820  212 ALA   A HB2   
1685 H  HB3   . ALA   A 101 ? 0.30296510 0.23035993 0.00640040 -0.01414045 0.00237931  0.00318574  212 ALA   A HB3   
1686 N  N     . VAL   A 102 ? 0.28802729 0.23533587 0.00823987 -0.00333169 0.01381074  -0.01694630 213 VAL   A N     
1687 C  CA    . VAL   A 102 ? 0.29353315 0.22814591 0.00834274 -0.00335944 0.01358859  -0.01757205 213 VAL   A CA    
1688 C  C     . VAL   A 102 ? 0.29734260 0.23710109 0.00883927 -0.00419068 0.01896988  -0.01739120 213 VAL   A C     
1689 O  O     . VAL   A 102 ? 0.30423912 0.25391808 0.00986151 -0.00492495 0.02711292  -0.01665587 213 VAL   A O     
1690 C  CB    . VAL   A 102 ? 0.28941509 0.22935148 0.00806738 -0.00285086 0.01726023  -0.01250947 213 VAL   A CB    
1691 C  CG1   . VAL   A 102 ? 0.29548007 0.23395871 0.00646036 -0.00158234 0.00473524  -0.00340724 213 VAL   A CG1   
1692 C  CG2   . VAL   A 102 ? 0.28897521 0.23301083 0.00732898 -0.00537597 0.01307505  -0.00966760 213 VAL   A CG2   
1693 H  H     . VAL   A 102 ? 0.28912789 0.23369601 0.00807696 -0.00451409 0.01244176  -0.01669304 213 VAL   A H     
1694 H  HA    . VAL   A 102 ? 0.29160988 0.23123099 0.00835385 -0.00326272 0.01529559  -0.01660959 213 VAL   A HA    
1695 H  HB    . VAL   A 102 ? 0.28843361 0.22998855 0.00774269 -0.00250058 0.01506175  -0.01177437 213 VAL   A HB    
1696 H  HG11  . VAL   A 102 ? 0.29546529 0.23241831 0.00666000 -0.00265710 0.00664955  -0.00634177 213 VAL   A HG11  
1697 H  HG12  . VAL   A 102 ? 0.29348907 0.23209862 0.00672174 -0.00252182 0.00524299  -0.00818495 213 VAL   A HG12  
1698 H  HG13  . VAL   A 102 ? 0.29406950 0.23195413 0.00669819 -0.00191998 0.00734254  -0.00639042 213 VAL   A HG13  
1699 H  HG21  . VAL   A 102 ? 0.28874600 0.23184717 0.00749585 -0.00488715 0.01403429  -0.01049065 213 VAL   A HG21  
1700 H  HG22  . VAL   A 102 ? 0.28869641 0.23174392 0.00749048 -0.00476968 0.01400579  -0.01045278 213 VAL   A HG22  
1701 H  HG23  . VAL   A 102 ? 0.28915650 0.23179828 0.00744118 -0.00500387 0.01364332  -0.01031716 213 VAL   A HG23  
1702 N  N     . ASN   A 103 ? 0.30156326 0.24368621 0.00713881 -0.00238038 0.01027824  -0.01039889 214 ASN   A N     
1703 C  CA    . ASN   A 103 ? 0.31365514 0.23836172 0.00635819 -0.00087189 -0.00178864 -0.00187286 214 ASN   A CA    
1704 C  C     . ASN   A 103 ? 0.33596843 0.24917464 0.00693082 -0.00283449 0.00836340  0.00961001  214 ASN   A C     
1705 O  O     . ASN   A 103 ? 0.36121336 0.28556019 0.00728610 -0.00846436 -0.00002507 0.01631181  214 ASN   A O     
1706 C  CB    . ASN   A 103 ? 0.30185515 0.23762895 0.00661759 -0.00324479 0.00127078  -0.00805441 214 ASN   A CB    
1707 C  CG    . ASN   A 103 ? 0.29061794 0.24403097 0.00707792 -0.00315269 0.00905104  -0.01052407 214 ASN   A CG    
1708 O  OD1   . ASN   A 103 ? 0.28753829 0.23895651 0.00889798 0.00182180  0.01263862  -0.02147297 214 ASN   A OD1   
1709 N  ND2   . ASN   A 103 ? 0.31429490 0.24917202 0.00828313 -0.00103361 0.01937799  -0.01339046 214 ASN   A ND2   
1710 H  H     . ASN   A 103 ? 0.29957724 0.24046062 0.00729696 -0.00225465 0.01193551  -0.01067673 214 ASN   A H     
1711 H  HA    . ASN   A 103 ? 0.31221837 0.24048871 0.00639851 -0.00182880 0.00291255  -0.00300808 214 ASN   A HA    
1712 H  HB2   . ASN   A 103 ? 0.30160737 0.23907617 0.00658786 -0.00294864 0.00216371  -0.00748600 214 ASN   A HB2   
1713 H  HB3   . ASN   A 103 ? 0.30088031 0.23910159 0.00657951 -0.00298731 0.00061020  -0.00756769 214 ASN   A HB3   
1714 H  HD21  . ASN   A 103 ? 0.30502200 0.24667545 0.00803322 -0.00088558 0.01732507  -0.01298239 214 ASN   A HD21  
1715 H  HD22  . ASN   A 103 ? 0.30631882 0.24655665 0.00791176 -0.00140558 0.01665208  -0.01262010 214 ASN   A HD22  
1716 N  N     . ASP   A 104 ? 0.34405240 0.24707805 0.00699143 -0.00860629 0.00121565  0.01251566  215 ASP   A N     
1717 C  CA    . ASP   A 104 ? 0.35971332 0.24789135 0.01374777 -0.01464680 -0.01078509 0.02443618  215 ASP   A CA    
1718 C  C     . ASP   A 104 ? 0.35869038 0.25355369 0.02488133 -0.01329241 -0.00266829 0.02013817  215 ASP   A C     
1719 O  O     . ASP   A 104 ? 0.38627359 0.29666138 0.08651007 -0.01808722 0.01773921  0.06379837  215 ASP   A O     
1720 C  CB    . ASP   A 104 ? 0.38181046 0.26364776 0.02982467 -0.01562366 -0.02653927 0.03116472  215 ASP   A CB    
1721 C  CG    . ASP   A 104 ? 0.38940138 0.27481329 0.06236658 -0.01953074 -0.03803093 0.03353217  215 ASP   A CG    
1722 O  OD1   . ASP   A 104 ? 0.39479005 0.28152722 0.09131866 -0.01785732 -0.04427498 0.01650682  215 ASP   A OD1   
1723 O  OD2   . ASP   A 104 ? 0.41678840 0.32147276 0.12882121 -0.03358421 -0.07277796 0.02618406  215 ASP   A OD2   
1724 H  H     . ASP   A 104 ? 0.34245101 0.24680279 0.00687387 -0.00756945 0.00603239  0.01006494  215 ASP   A H     
1725 H  HA    . ASP   A 104 ? 0.35952935 0.25144550 0.01098331 -0.01339526 -0.01016607 0.02319481  215 ASP   A HA    
1726 H  HB2   . ASP   A 104 ? 0.37848839 0.26303974 0.03156151 -0.01589233 -0.02503433 0.03049508  215 ASP   A HB2   
1727 H  HB3   . ASP   A 104 ? 0.37869027 0.26282576 0.03230577 -0.01581149 -0.02504513 0.03030288  215 ASP   A HB3   
1728 N  N     . ALA   A 105 ? 0.33516189 0.26322195 0.00731105 -0.01628246 0.01022443  0.01249980  216 ALA   A N     
1729 C  CA    . ALA   A 105 ? 0.33393118 0.26990470 0.00761342 -0.02311755 0.01416646  0.01223058  216 ALA   A CA    
1730 C  C     . ALA   A 105 ? 0.33311033 0.29021719 0.01032499 -0.02116645 0.02784915  0.01958284  216 ALA   A C     
1731 O  O     . ALA   A 105 ? 0.33055249 0.28763506 0.01208651 -0.00876212 0.04208947  0.00789042  216 ALA   A O     
1732 C  CB    . ALA   A 105 ? 0.33792496 0.28121439 0.01059305 -0.01985376 0.02812087  0.00219596  216 ALA   A CB    
1733 H  H     . ALA   A 105 ? 0.33744556 0.25948837 0.00782281 -0.01852680 0.01051120  0.01648782  216 ALA   A H     
1734 H  HA    . ALA   A 105 ? 0.33486041 0.27390710 0.00789896 -0.02078073 0.01773663  0.01161002  216 ALA   A HA    
1735 H  HB1   . ALA   A 105 ? 0.33781216 0.27848101 0.00979540 -0.02006985 0.02619181  0.00523630  216 ALA   A HB1   
1736 H  HB2   . ALA   A 105 ? 0.33731866 0.27964497 0.00897153 -0.01975615 0.02430346  0.00365852  216 ALA   A HB2   
1737 H  HB3   . ALA   A 105 ? 0.33701342 0.27843297 0.00874336 -0.02026991 0.02470543  0.00482113  216 ALA   A HB3   
1738 N  N     . HIS   A 106 ? 0.35186958 0.28970468 0.00994935 -0.02703842 0.03022577  0.01417569  217 HIS   A N     
1739 C  CA    . HIS   A 106 ? 0.33593386 0.30640960 0.00939367 -0.02430218 0.03161657  -0.00523727 217 HIS   A CA    
1740 C  C     . HIS   A 106 ? 0.32094070 0.30439380 0.01460048 -0.01293770 0.04969096  -0.01321456 217 HIS   A C     
1741 O  O     . HIS   A 106 ? 0.36589602 0.34008276 0.01160372 -0.00320276 0.04294433  -0.00726880 217 HIS   A O     
1742 C  CB    . HIS   A 106 ? 0.34759212 0.32189476 0.04477900 -0.03894740 0.01588426  -0.00298135 217 HIS   A CB    
1743 C  CG    . HIS   A 106 ? 0.35479122 0.33975860 0.04285188 -0.04311800 0.01013885  0.00586206  217 HIS   A CG    
1744 N  ND1   . HIS   A 106 ? 0.38045898 0.36435789 0.08061636 -0.02789918 -0.00437308 -0.02454189 217 HIS   A ND1   
1745 C  CD2   . HIS   A 106 ? 0.35762653 0.35979712 0.06128547 -0.04383765 0.00674728  0.00089747  217 HIS   A CD2   
1746 C  CE1   . HIS   A 106 ? 0.37548923 0.36641309 0.07881981 -0.03308155 -0.00122802 -0.00683679 217 HIS   A CE1   
1747 N  NE2   . HIS   A 106 ? 0.35899186 0.36111045 0.06626535 -0.04577419 0.00634637  -0.00481696 217 HIS   A NE2   
1748 H  H     . HIS   A 106 ? 0.34444171 0.28927672 0.01036841 -0.02637263 0.03138577  0.01530749  217 HIS   A H     
1749 H  HA    . HIS   A 106 ? 0.33621570 0.30429947 0.00977541 -0.02417294 0.03368481  -0.00344704 217 HIS   A HA    
1750 H  HB2   . HIS   A 106 ? 0.34689677 0.32276034 0.03427184 -0.03758571 0.01774065  -0.00157109 217 HIS   A HB2   
1751 H  HB3   . HIS   A 106 ? 0.34819517 0.32280833 0.03717845 -0.03826745 0.01550068  0.00001011  217 HIS   A HB3   
1752 H  HD1   . HIS   A 106 ? 0.29107040 0.29107040 0.29107040 0.00000000  0.00000000  0.00000000  217 HIS   A HD1   
1753 H  HD2   . HIS   A 106 ? 0.35787028 0.35696423 0.05862674 -0.04442707 0.00706981  0.00117960  217 HIS   A HD2   
1754 H  HE1   . HIS   A 106 ? 0.37318093 0.36493790 0.07993737 -0.03422077 -0.00068872 -0.00820451 217 HIS   A HE1   
1755 H  HE2   . HIS   A 106 ? 0.26676598 0.26676598 0.26676598 0.00000000  0.00000000  0.00000000  217 HIS   A HE2   
1756 N  N     . LEU   A 107 ? 0.29680425 0.27847561 0.01171065 -0.00782042 0.03554884  -0.01767262 218 LEU   A N     
1757 C  CA    . LEU   A 107 ? 0.29133281 0.28349271 0.01326837 0.00029227  0.03364456  -0.01796856 218 LEU   A CA    
1758 C  C     . LEU   A 107 ? 0.29330927 0.29713401 0.01927024 -0.00105046 0.02759560  -0.02011687 218 LEU   A C     
1759 O  O     . LEU   A 107 ? 0.29692504 0.33284101 0.04870136 0.00563174  0.03175120  -0.01897656 218 LEU   A O     
1760 C  CB    . LEU   A 107 ? 0.28509581 0.27075246 0.01999211 0.00231143  0.02875151  -0.01422445 218 LEU   A CB    
1761 C  CG    . LEU   A 107 ? 0.30102444 0.28436637 0.03654390 0.00324002  0.02526345  0.00064862  218 LEU   A CG    
1762 C  CD1   . LEU   A 107 ? 0.31738177 0.29055402 0.07365230 0.00798301  0.03414373  -0.00537470 218 LEU   A CD1   
1763 C  CD2   . LEU   A 107 ? 0.30913460 0.28221521 0.04437093 0.00224737  0.02608232  0.01379067  218 LEU   A CD2   
1764 H  H     . LEU   A 107 ? 0.30027586 0.28280753 0.01242144 -0.00632522 0.03854024  -0.01774672 218 LEU   A H     
1765 H  HA    . LEU   A 107 ? 0.29180285 0.28227943 0.01337733 -0.00083974 0.03314253  -0.01802209 218 LEU   A HA    
1766 H  HB2   . LEU   A 107 ? 0.28722399 0.27496806 0.02105947 0.00186351  0.02836834  -0.01275200 218 LEU   A HB2   
1767 H  HB3   . LEU   A 107 ? 0.28773978 0.27352637 0.02033762 0.00282241  0.02977597  -0.01377655 218 LEU   A HB3   
1768 H  HG    . LEU   A 107 ? 0.30000705 0.28212094 0.03931645 0.00350358  0.02678047  -0.00103303 218 LEU   A HG    
1769 H  HD11  . LEU   A 107 ? 0.31512699 0.28942126 0.06369242 0.00790746  0.03160166  -0.00458797 218 LEU   A HD11  
1770 H  HD12  . LEU   A 107 ? 0.31434596 0.29083332 0.06425149 0.00685640  0.03278939  -0.00513129 218 LEU   A HD12  
1771 H  HD13  . LEU   A 107 ? 0.31587100 0.28937709 0.06509119 0.00806900  0.03395507  -0.00349272 218 LEU   A HD13  
1772 H  HD21  . LEU   A 107 ? 0.30742577 0.28370762 0.04336802 0.00224821  0.02573992  0.01192989  218 LEU   A HD21  
1773 H  HD22  . LEU   A 107 ? 0.30788305 0.28276670 0.04269585 0.00282190  0.02660704  0.01100586  218 LEU   A HD22  
1774 H  HD23  . LEU   A 107 ? 0.30719748 0.28206739 0.04217264 0.00286172  0.02600462  0.01121442  218 LEU   A HD23  
1775 N  N     . LEU   A 108 ? 0.28671166 0.29596168 0.00808373 -0.00746420 0.02073544  -0.00848910 219 LEU   A N     
1776 C  CA    . LEU   A 108 ? 0.28397509 0.30508718 0.00721726 -0.01118980 0.01567231  -0.00069239 219 LEU   A CA    
1777 C  C     . LEU   A 108 ? 0.28848103 0.30422041 0.00730257 -0.01822533 0.01654328  -0.00103757 219 LEU   A C     
1778 O  O     . LEU   A 108 ? 0.30629835 0.31166974 0.00739566 -0.01498763 0.01785005  -0.00140939 219 LEU   A O     
1779 C  CB    . LEU   A 108 ? 0.28726569 0.30666471 0.01912008 -0.00803331 0.02011779  0.00592045  219 LEU   A CB    
1780 C  CG    . LEU   A 108 ? 0.29032508 0.31984869 0.01919847 -0.01020785 0.01534643  0.01446457  219 LEU   A CG    
1781 C  CD1   . LEU   A 108 ? 0.29344615 0.31270906 0.02021405 -0.01093078 0.01908251  0.02240394  219 LEU   A CD1   
1782 C  CD2   . LEU   A 108 ? 0.29270026 0.32990232 0.03067344 -0.01848882 0.00292446  0.01562193  219 LEU   A CD2   
1783 H  H     . LEU   A 108 ? 0.28719866 0.29728621 0.00826459 -0.00696677 0.02155544  -0.00952093 219 LEU   A H     
1784 H  HA    . LEU   A 108 ? 0.28554556 0.30326155 0.00741625 -0.01115684 0.01738672  -0.00123836 219 LEU   A HA    
1785 H  HB2   . LEU   A 108 ? 0.28805998 0.30856332 0.01486593 -0.00859476 0.01939973  0.00660056  219 LEU   A HB2   
1786 H  HB3   . LEU   A 108 ? 0.28706908 0.30811501 0.01460704 -0.00868436 0.01864855  0.00594796  219 LEU   A HB3   
1787 H  HG    . LEU   A 108 ? 0.29007152 0.31814963 0.02070173 -0.01085243 0.01522232  0.01431981  219 LEU   A HG    
1788 H  HD11  . LEU   A 108 ? 0.29236889 0.31299394 0.01951131 -0.01075501 0.01829449  0.02025761  219 LEU   A HD11  
1789 H  HD12  . LEU   A 108 ? 0.29200539 0.31385136 0.01996773 -0.01085096 0.01848837  0.02025757  219 LEU   A HD12  
1790 H  HD13  . LEU   A 108 ? 0.29268101 0.31385851 0.02024470 -0.01081921 0.01864729  0.02011984  219 LEU   A HD13  
1791 H  HD21  . LEU   A 108 ? 0.29211622 0.32771736 0.02928874 -0.01633331 0.00555485  0.01651664  219 LEU   A HD21  
1792 H  HD22  . LEU   A 108 ? 0.29190224 0.32719690 0.02811522 -0.01633880 0.00535173  0.01573331  219 LEU   A HD22  
1793 H  HD23  . LEU   A 108 ? 0.29295883 0.32656878 0.02834591 -0.01598457 0.00469257  0.01542613  219 LEU   A HD23  
1794 N  N     A GLN   A 109 ? 0.29840446 0.31549409 0.00714106 -0.02010079 0.01524357  0.00094368  220 GLN   A N     
1795 N  N     B GLN   A 109 ? 0.29677173 0.31448197 0.00701609 -0.02056175 0.01393378  0.00116103  220 GLN   A N     
1796 C  CA    A GLN   A 109 ? 0.31068134 0.31065625 0.00676079 -0.01774807 0.00987251  0.00514654  220 GLN   A CA    
1797 C  CA    B GLN   A 109 ? 0.30810484 0.30956468 0.00654669 -0.01866479 0.00595334  0.00503547  220 GLN   A CA    
1798 C  C     A GLN   A 109 ? 0.30490273 0.30521315 0.00691517 -0.00958622 0.01054856  0.00757788  220 GLN   A C     
1799 C  C     B GLN   A 109 ? 0.30366498 0.30513448 0.00686321 -0.00927182 0.00866903  0.00883728  220 GLN   A C     
1800 O  O     A GLN   A 109 ? 0.31280106 0.31762961 0.00654263 0.00123585  0.00802325  0.00007934  220 GLN   A O     
1801 O  O     B GLN   A 109 ? 0.31199285 0.31818596 0.00709802 0.00204121  0.00624143  0.01414667  220 GLN   A O     
1802 C  CB    A GLN   A 109 ? 0.33155721 0.32181495 0.02943210 -0.02339622 0.01331675  0.02140669  220 GLN   A CB    
1803 C  CB    B GLN   A 109 ? 0.32940593 0.31866828 0.02454441 -0.02414934 0.00420420  0.01810505  220 GLN   A CB    
1804 C  CG    A GLN   A 109 ? 0.35000122 0.33400914 0.02833035 -0.02078369 0.01389627  0.01792826  220 GLN   A CG    
1805 C  CG    B GLN   A 109 ? 0.34254318 0.33925524 0.07077443 -0.02451736 0.01133176  0.02049577  220 GLN   A CG    
1806 C  CD    A GLN   A 109 ? 0.38178790 0.35183328 0.09121705 -0.02838226 0.02571266  0.03055353  220 GLN   A CD    
1807 C  CD    B GLN   A 109 ? 0.37438691 0.35614437 0.11852814 -0.03322384 0.01119765  0.02956306  220 GLN   A CD    
1808 O  OE1   A GLN   A 109 ? 0.41941631 0.38011873 0.18591897 0.00238411  0.03457092  0.05638047  220 GLN   A OE1   
1809 O  OE1   B GLN   A 109 ? 0.39942908 0.38217014 0.16241029 -0.03235105 0.01238442  0.05308408  220 GLN   A OE1   
1810 N  NE2   A GLN   A 109 ? 0.39322203 0.35529298 0.12638628 -0.02838153 0.01682467  0.04252632  220 GLN   A NE2   
1811 N  NE2   B GLN   A 109 ? 0.37440103 0.36901820 0.18880539 -0.03759159 0.00954646  0.02987517  220 GLN   A NE2   
1812 H  H     A GLN   A 109 ? 0.29831815 0.31218493 0.00706411 -0.01927263 0.01442183  0.00146685  220 GLN   A H     
1813 H  H     B GLN   A 109 ? 0.29669252 0.31118232 0.00693558 -0.01959606 0.01303703  0.00143469  220 GLN   A H     
1814 H  HA    A GLN   A 109 ? 0.30995664 0.31126469 0.00693040 -0.01762360 0.01129361  0.00669416  220 GLN   A HA    
1815 H  HA    B GLN   A 109 ? 0.30794170 0.31024569 0.00669873 -0.01826875 0.00764636  0.00676002  220 GLN   A HA    
1816 H  HB2   A GLN   A 109 ? 0.33102065 0.32168090 0.02248555 -0.02185480 0.01305108  0.01913843  220 GLN   A HB2   
1817 H  HB2   B GLN   A 109 ? 0.32688564 0.32013541 0.02508910 -0.02341899 0.00524514  0.01651956  220 GLN   A HB2   
1818 H  HB3   A GLN   A 109 ? 0.33030847 0.32314146 0.02431100 -0.02139406 0.01331828  0.02091901  220 GLN   A HB3   
1819 H  HB3   B GLN   A 109 ? 0.32663345 0.31943515 0.02386125 -0.02311739 0.00500629  0.01605202  220 GLN   A HB3   
1820 H  HG2   A GLN   A 109 ? 0.35011008 0.33421275 0.03716149 -0.02224515 0.01566950  0.01945408  220 GLN   A HG2   
1821 H  HG2   B GLN   A 109 ? 0.34469107 0.33759871 0.06816803 -0.02556626 0.01044207  0.02190489  220 GLN   A HG2   
1822 H  HG3   A GLN   A 109 ? 0.35030168 0.33247077 0.03447682 -0.02192408 0.01610198  0.01730900  220 GLN   A HG3   
1823 H  HG3   B GLN   A 109 ? 0.34563357 0.33792120 0.06962010 -0.02577628 0.01093304  0.02124072  220 GLN   A HG3   
1824 H  HE21  A GLN   A 109 ? 0.39015990 0.35415927 0.11781427 -0.02838731 0.02008555  0.03934484  220 GLN   A HE21  
1825 H  HE21  B GLN   A 109 ? 0.37587509 0.36823612 0.17361785 -0.03754313 0.01273739  0.02846234  220 GLN   A HE21  
1826 H  HE22  A GLN   A 109 ? 0.39036053 0.35467872 0.11770580 -0.02806154 0.01998810  0.03916863  220 GLN   A HE22  
1827 H  HE22  B GLN   A 109 ? 0.37520987 0.36723140 0.17161171 -0.03594200 0.01138659  0.03012225  220 GLN   A HE22  
1828 N  N     . TYR   A 110 ? 0.29654056 0.28878391 0.00691496 -0.01123877 0.00541086  0.01144336  221 TYR   A N     
1829 C  CA    . TYR   A 110 ? 0.28936607 0.28050661 0.00635110 -0.01108156 -0.00184891 0.00140033  221 TYR   A CA    
1830 C  C     . TYR   A 110 ? 0.28622666 0.27805668 0.00643985 -0.01911008 -0.00259402 0.00492136  221 TYR   A C     
1831 O  O     . TYR   A 110 ? 0.29631484 0.29715186 0.00743142 -0.01226114 -0.00434459 0.01750703  221 TYR   A O     
1832 C  CB    . TYR   A 110 ? 0.28697634 0.27019244 0.00687703 -0.01491461 -0.01179390 -0.00295678 221 TYR   A CB    
1833 C  CG    . TYR   A 110 ? 0.29287267 0.26788265 0.00636932 -0.02027915 -0.00265887 0.00196027  221 TYR   A CG    
1834 C  CD1   . TYR   A 110 ? 0.29380062 0.26442844 0.00649741 -0.01729982 -0.00031190 0.00652134  221 TYR   A CD1   
1835 C  CD2   . TYR   A 110 ? 0.29504070 0.27011600 0.00661319 -0.01956252 0.00039588  0.00854667  221 TYR   A CD2   
1836 C  CE1   . TYR   A 110 ? 0.29653347 0.25270575 0.00648474 -0.01968647 -0.00049960 0.00612278  221 TYR   A CE1   
1837 C  CE2   . TYR   A 110 ? 0.29484057 0.25685650 0.00675763 -0.01681425 0.00348614  0.00957210  221 TYR   A CE2   
1838 C  CZ    . TYR   A 110 ? 0.28601345 0.26135319 0.00726915 -0.01612061 -0.00816587 0.01378960  221 TYR   A CZ    
1839 O  OH    . TYR   A 110 ? 0.29257756 0.27073061 0.00848419 -0.00956243 -0.01108118 0.02169880  221 TYR   A OH    
1840 H  H     . TYR   A 110 ? 0.29728350 0.29195827 0.00670733 -0.01037607 0.00547490  0.00860888  221 TYR   A H     
1841 H  HA    . TYR   A 110 ? 0.28924176 0.27992591 0.00638309 -0.01251256 -0.00218805 0.00312502  221 TYR   A HA    
1842 H  HB2   . TYR   A 110 ? 0.28817850 0.26981455 0.00658647 -0.01547757 -0.00804156 -0.00209243 221 TYR   A HB2   
1843 H  HB3   . TYR   A 110 ? 0.28796333 0.27104962 0.00656100 -0.01508099 -0.00784725 -0.00118524 221 TYR   A HB3   
1844 H  HD1   . TYR   A 110 ? 0.29390299 0.26279685 0.00645816 -0.01837347 -0.00095547 0.00565109  221 TYR   A HD1   
1845 H  HD2   . TYR   A 110 ? 0.29448876 0.26703924 0.00657930 -0.01925438 0.00001698  0.00799921  221 TYR   A HD2   
1846 H  HE1   . TYR   A 110 ? 0.29377943 0.25619063 0.00655090 -0.01799197 -0.00174982 0.00729662  221 TYR   A HE1   
1847 H  HE2   . TYR   A 110 ? 0.29261696 0.25952441 0.00675106 -0.01672408 0.00017899  0.01026174  221 TYR   A HE2   
1848 H  HH    . TYR   A 110 ? 0.18486048 0.18486048 0.18486048 0.00000000  0.00000000  0.00000000  221 TYR   A HH    
1849 N  N     . ASN   A 111 ? 0.28594017 0.28883284 0.00676701 -0.02332215 -0.00161793 0.01105543  222 ASN   A N     
1850 C  CA    . ASN   A 111 ? 0.30915007 0.29252273 0.01952960 -0.03309637 0.00441452  0.01261797  222 ASN   A CA    
1851 C  C     . ASN   A 111 ? 0.30992246 0.27996165 0.01162827 -0.04013635 0.00052689  0.01501607  222 ASN   A C     
1852 O  O     . ASN   A 111 ? 0.32888040 0.27236852 0.01511286 -0.03784507 0.00271287  0.01080865  222 ASN   A O     
1853 C  CB    . ASN   A 111 ? 0.32124698 0.32308984 0.06551903 -0.04099049 -0.00661200 0.00379628  222 ASN   A CB    
1854 C  CG    . ASN   A 111 ? 0.34581113 0.38189578 0.11640675 -0.03998743 0.02085277  0.03173125  222 ASN   A CG    
1855 O  OD1   . ASN   A 111 ? 0.38050079 0.45783266 0.11524618 -0.03663992 0.02386747  0.04983050  222 ASN   A OD1   
1856 N  ND2   . ASN   A 111 ? 0.36315662 0.42996338 0.19653955 -0.03099607 0.03532331  0.02210631  222 ASN   A ND2   
1857 H  H     . ASN   A 111 ? 0.28979117 0.28690940 0.00667990 -0.02382249 -0.00050642 0.00986621  222 ASN   A H     
1858 H  HA    . ASN   A 111 ? 0.30678213 0.29294300 0.02150386 -0.03336215 0.00129030  0.01203139  222 ASN   A HA    
1859 H  HB2   . ASN   A 111 ? 0.32119995 0.32391360 0.06161470 -0.03975810 0.00119509  0.00933692  222 ASN   A HB2   
1860 H  HB3   . ASN   A 111 ? 0.32122889 0.32075626 0.05994350 -0.03985044 0.00065178  0.00823198  222 ASN   A HB3   
1861 H  HD21  . ASN   A 111 ? 0.36096522 0.41634855 0.18121769 -0.03577715 0.03617412  0.01890081  222 ASN   A HD21  
1862 H  HD22  . ASN   A 111 ? 0.36225048 0.41637504 0.18321523 -0.03262052 0.02759445  0.02167331  222 ASN   A HD22  
1863 N  N     . HIS   A 112 ? 0.31294173 0.27429840 0.00653703 -0.04023340 -0.00602202 0.00554804  223 HIS   A N     
1864 C  CA    . HIS   A 112 ? 0.31593311 0.28258640 0.00652438 -0.04493745 -0.00100167 0.00727715  223 HIS   A CA    
1865 C  C     . HIS   A 112 ? 0.31400195 0.29196763 0.00710210 -0.04886849 -0.00707590 0.01410884  223 HIS   A C     
1866 O  O     . HIS   A 112 ? 0.33059478 0.33549902 0.01950882 -0.07074445 -0.01418741 0.03197732  223 HIS   A O     
1867 C  CB    . HIS   A 112 ? 0.31118917 0.28175497 0.00674921 -0.04162718 -0.00024017 0.01063146  223 HIS   A CB    
1868 C  CG    . HIS   A 112 ? 0.31851101 0.26937282 0.00674599 -0.03900976 0.00091680  0.01018267  223 HIS   A CG    
1869 N  ND1   . HIS   A 112 ? 0.32275102 0.26524842 0.00644521 -0.03034108 0.00203577  0.00485270  223 HIS   A ND1   
1870 C  CD2   . HIS   A 112 ? 0.31761613 0.25894862 0.00693479 -0.03994950 0.01183863  0.00461348  223 HIS   A CD2   
1871 C  CE1   . HIS   A 112 ? 0.33249995 0.25620815 0.00697661 -0.03665503 -0.00892282 0.01091670  223 HIS   A CE1   
1872 N  NE2   . HIS   A 112 ? 0.32104465 0.25529996 0.00649492 -0.03438619 0.00013617  0.00629342  223 HIS   A NE2   
1873 H  H     . HIS   A 112 ? 0.31286883 0.27544847 0.00665342 -0.04113371 -0.00368336 0.00903275  223 HIS   A H     
1874 H  HA    . HIS   A 112 ? 0.31409985 0.28206605 0.00661153 -0.04419640 -0.00298592 0.00863506  223 HIS   A HA    
1875 H  HB2   . HIS   A 112 ? 0.31319490 0.27894717 0.00670594 -0.04154299 0.00043799  0.00991659  223 HIS   A HB2   
1876 H  HB3   . HIS   A 112 ? 0.31275994 0.27897206 0.00670483 -0.04144564 0.00200701  0.00952105  223 HIS   A HB3   
1877 H  HD1   . HIS   A 112 ? 0.17596956 0.17596956 0.17596956 0.00000000  0.00000000  0.00000000  223 HIS   A HD1   
1878 H  HD2   . HIS   A 112 ? 0.31786674 0.25926778 0.00669767 -0.03924028 0.00729817  0.00601907  223 HIS   A HD2   
1879 H  HE1   . HIS   A 112 ? 0.32793397 0.25817859 0.00666907 -0.03524132 -0.00442880 0.00875092  223 HIS   A HE1   
1880 H  HE2   . HIS   A 112 ? 0.18383461 0.18383461 0.18383461 0.00000000  0.00000000  0.00000000  223 HIS   A HE2   
1881 N  N     . ARG   A 113 ? 0.31316215 0.29523453 0.00808407 -0.04384820 -0.01615081 0.01826905  224 ARG   A N     
1882 C  CA    . ARG   A 113 ? 0.30966446 0.28912401 0.00823220 -0.03411952 -0.02232280 0.01097539  224 ARG   A CA    
1883 C  C     . ARG   A 113 ? 0.32619649 0.28958014 0.00863780 -0.02586674 -0.02662409 -0.00285347 224 ARG   A C     
1884 O  O     . ARG   A 113 ? 0.34865582 0.30936611 0.03557682 -0.03275687 -0.03173371 -0.02837265 224 ARG   A O     
1885 C  CB    . ARG   A 113 ? 0.30508944 0.29137060 0.00797703 -0.03272863 -0.01821843 0.01424930  224 ARG   A CB    
1886 C  CG    . ARG   A 113 ? 0.29775891 0.29692352 0.01898712 -0.03054981 -0.00954779 0.01236038  224 ARG   A CG    
1887 C  CD    . ARG   A 113 ? 0.28943068 0.29504150 0.00997667 -0.01800157 -0.01003196 0.00838226  224 ARG   A CD    
1888 N  NE    . ARG   A 113 ? 0.29638404 0.30118218 0.01564655 -0.00855754 -0.00236468 0.01209455  224 ARG   A NE    
1889 C  CZ    . ARG   A 113 ? 0.29465675 0.30312103 0.00938153 -0.00473860 -0.00899296 0.00249606  224 ARG   A CZ    
1890 N  NH1   . ARG   A 113 ? 0.30251208 0.31562930 0.01203001 -0.01139465 -0.00857402 0.00550223  224 ARG   A NH1   
1891 N  NH2   . ARG   A 113 ? 0.31167459 0.30418569 0.01252235 0.00606151  0.00679690  0.00831723  224 ARG   A NH2   
1892 H  H     . ARG   A 113 ? 0.31261903 0.29314744 0.00777773 -0.04279982 -0.01528716 0.01597709  224 ARG   A H     
1893 H  HA    . ARG   A 113 ? 0.31101939 0.29050836 0.00802317 -0.03458942 -0.02081359 0.01104204  224 ARG   A HA    
1894 H  HB2   . ARG   A 113 ? 0.30416980 0.29149589 0.00786833 -0.03234507 -0.01802120 0.01315665  224 ARG   A HB2   
1895 H  HB3   . ARG   A 113 ? 0.30317956 0.29137737 0.00804028 -0.03219463 -0.01919804 0.01353788  224 ARG   A HB3   
1896 H  HG2   . ARG   A 113 ? 0.29728603 0.29507303 0.01261574 -0.02880101 -0.01067835 0.01229039  224 ARG   A HG2   
1897 H  HG3   . ARG   A 113 ? 0.29901880 0.29519463 0.01603934 -0.02870519 -0.00850940 0.01217023  224 ARG   A HG3   
1898 H  HD2   . ARG   A 113 ? 0.29165927 0.29647246 0.01157828 -0.01844445 -0.00823628 0.00980944  224 ARG   A HD2   
1899 H  HD3   . ARG   A 113 ? 0.29030925 0.29659945 0.01092854 -0.01836821 -0.00966476 0.00980240  224 ARG   A HD3   
1900 H  HE    . ARG   A 113 ? 0.29446769 0.29973173 0.01250200 -0.00967580 -0.00470329 0.00930697  224 ARG   A HE    
1901 H  HH11  . ARG   A 113 ? 0.30012071 0.31352189 0.01166690 -0.00935698 -0.00839380 0.00492331  224 ARG   A HH11  
1902 H  HH12  . ARG   A 113 ? 0.29989818 0.31244346 0.01289873 -0.00971741 -0.00868707 0.00556733  224 ARG   A HH12  
1903 H  HH21  . ARG   A 113 ? 0.30627063 0.30378532 0.01167086 0.00300403  0.00227130  0.00691316  224 ARG   A HH21  
1904 H  HH22  . ARG   A 113 ? 0.30616334 0.30347994 0.01135005 0.00286497  0.00254481  0.00751851  224 ARG   A HH22  
1905 N  N     . VAL   A 114 ? 0.33667660 0.28044415 0.00788871 -0.03755931 -0.00985519 -0.01733409 225 VAL   A N     
1906 C  CA    . VAL   A 114 ? 0.35011622 0.27857029 0.00854872 -0.03117745 -0.01840532 -0.01654018 225 VAL   A CA    
1907 C  C     . VAL   A 114 ? 0.36325443 0.29861867 0.00783136 -0.04361773 -0.02305583 0.00116997  225 VAL   A C     
1908 O  O     . VAL   A 114 ? 0.42139661 0.30121410 0.00705749 -0.04452127 -0.01118185 -0.00988704 225 VAL   A O     
1909 C  CB    . VAL   A 114 ? 0.35417917 0.27223706 0.00658082 -0.02958828 -0.00922539 0.00175406  225 VAL   A CB    
1910 C  CG1   . VAL   A 114 ? 0.35547885 0.26219386 0.00671879 -0.02645793 -0.01118280 0.00351540  225 VAL   A CG1   
1911 C  CG2   . VAL   A 114 ? 0.35435560 0.27041873 0.00645208 -0.03061852 -0.00214513 0.00545957  225 VAL   A CG2   
1912 H  H     . VAL   A 114 ? 0.33659980 0.28024924 0.00804863 -0.03473019 -0.01571016 -0.01452875 225 VAL   A H     
1913 H  HA    . VAL   A 114 ? 0.34891194 0.28108722 0.00792261 -0.03416815 -0.01834549 -0.01101053 225 VAL   A HA    
1914 H  HB    . VAL   A 114 ? 0.35238802 0.27111131 0.00679641 -0.02999964 -0.01221463 -0.00186894 225 VAL   A HB    
1915 H  HG11  . VAL   A 114 ? 0.35523829 0.26443771 0.00665453 -0.02685814 -0.01002428 0.00371986  225 VAL   A HG11  
1916 H  HG12  . VAL   A 114 ? 0.35505024 0.26404187 0.00667728 -0.02709698 -0.01056727 0.00332267  225 VAL   A HG12  
1917 H  HG13  . VAL   A 114 ? 0.35509387 0.26430726 0.00667106 -0.02700110 -0.01050375 0.00319344  225 VAL   A HG13  
1918 H  HG21  . VAL   A 114 ? 0.35319671 0.27042994 0.00644358 -0.03017596 -0.00401050 0.00445991  225 VAL   A HG21  
1919 H  HG22  . VAL   A 114 ? 0.35378897 0.27071759 0.00644670 -0.03036021 -0.00420562 0.00443513  225 VAL   A HG22  
1920 H  HG23  . VAL   A 114 ? 0.35424358 0.27073622 0.00644818 -0.03001916 -0.00330640 0.00497994  225 VAL   A HG23  
1921 N  N     . LYS   A 115 ? 0.37903214 0.30132592 0.00750094 -0.06130110 -0.02071488 0.00120553  226 LYS   A N     
1922 C  CA    . LYS   A 115 ? 0.38844502 0.31633118 0.04069261 -0.06244919 -0.01758071 0.01977967  226 LYS   A CA    
1923 C  C     . LYS   A 115 ? 0.38757354 0.30143487 0.04590031 -0.06982142 0.00553055  0.01694428  226 LYS   A C     
1924 O  O     . LYS   A 115 ? 0.39143413 0.30495614 0.11649586 -0.06074047 0.03136474  0.04859133  226 LYS   A O     
1925 C  CB    . LYS   A 115 ? 0.39805555 0.33531961 0.09388333 -0.06964403 -0.02991152 0.00212094  226 LYS   A CB    
1926 C  CG    . LYS   A 115 ? 0.40551692 0.36671287 0.10072506 -0.07201429 -0.04878816 -0.00052058 226 LYS   A CG    
1927 C  CD    . LYS   A 115 ? 0.40492272 0.37019968 0.08506551 -0.07897270 -0.05040886 0.02095378  226 LYS   A CD    
1928 C  CE    . LYS   A 115 ? 0.40280712 0.39229175 0.04907223 -0.08632345 -0.04362984 0.03223873  226 LYS   A CE    
1929 N  NZ    . LYS   A 115 ? 0.40910381 0.43864289 0.04571662 -0.10239607 -0.03966858 0.03719920  226 LYS   A NZ    
1930 H  H     . LYS   A 115 ? 0.37603170 0.30269343 0.00781982 -0.05671225 -0.02324193 0.00630464  226 LYS   A H     
1931 H  HA    . LYS   A 115 ? 0.38770938 0.31368774 0.04198293 -0.06406598 -0.01604850 0.01347957  226 LYS   A HA    
1932 H  HB2   . LYS   A 115 ? 0.39765701 0.33669695 0.08961617 -0.06856669 -0.03129673 0.00673053  226 LYS   A HB2   
1933 H  HB3   . LYS   A 115 ? 0.39737958 0.33808404 0.08575279 -0.06811148 -0.03046766 0.00508015  226 LYS   A HB3   
1934 H  HG2   . LYS   A 115 ? 0.40370989 0.36524087 0.09925198 -0.07244106 -0.04533756 0.00110984  226 LYS   A HG2   
1935 H  HG3   . LYS   A 115 ? 0.40367866 0.36303538 0.09750564 -0.07289070 -0.04532805 0.00355651  226 LYS   A HG3   
1936 H  HD2   . LYS   A 115 ? 0.40433404 0.37164542 0.08291095 -0.07851057 -0.04923922 0.02010509  226 LYS   A HD2   
1937 H  HD3   . LYS   A 115 ? 0.40411612 0.37151158 0.08295303 -0.07862052 -0.04911784 0.01940954  226 LYS   A HD3   
1938 H  HE2   . LYS   A 115 ? 0.40403444 0.39244497 0.05805448 -0.08660264 -0.04350696 0.03291200  226 LYS   A HE2   
1939 H  HE3   . LYS   A 115 ? 0.40363026 0.39377481 0.05893706 -0.08728738 -0.04356883 0.03093779  226 LYS   A HE3   
1940 H  HZ1   . LYS   A 115 ? 0.40832394 0.42810142 0.05117888 -0.09762374 -0.03965691 0.03665733  226 LYS   A HZ1   
1941 H  HZ2   . LYS   A 115 ? 0.40789604 0.42896873 0.05224403 -0.09825130 -0.03988301 0.03482521  226 LYS   A HZ2   
1942 H  HZ3   . LYS   A 115 ? 0.40902370 0.42759040 0.05073289 -0.09868066 -0.03996896 0.03624772  226 LYS   A HZ3   
1943 N  N     . LYS   A 116 ? 0.38588238 0.29956698 0.05175798 -0.07495681 0.01037104  0.00838882  227 LYS   A N     
1944 C  CA    . LYS   A 116 ? 0.39496851 0.29664272 0.05202999 -0.07199264 0.01738176  -0.00761272 227 LYS   A CA    
1945 C  C     . LYS   A 116 ? 0.37849927 0.26203594 0.02567515 -0.05691794 0.02664908  -0.00713095 227 LYS   A C     
1946 O  O     . LYS   A 116 ? 0.37600270 0.26115707 0.02638046 -0.05579514 0.03108934  -0.01371426 227 LYS   A O     
1947 C  CB    . LYS   A 116 ? 0.43109316 0.34803042 0.05009264 -0.07906133 0.01679060  -0.01314963 227 LYS   A CB    
1948 C  CG    . LYS   A 116 ? 0.45574403 0.39213943 0.10198288 -0.09548381 0.01116997  -0.02884098 227 LYS   A CG    
1949 C  CD    . LYS   A 116 ? 0.48501420 0.43570948 0.10575495 -0.09985217 0.01991529  -0.03338959 227 LYS   A CD    
1950 C  CE    . LYS   A 116 ? 0.51074857 0.46228650 0.16064973 -0.09866109 0.01302019  -0.08027186 227 LYS   A CE    
1951 N  NZ    . LYS   A 116 ? 0.53800017 0.49898291 0.15542942 -0.09738813 0.02131580  -0.10515708 227 LYS   A NZ    
1952 H  H     . LYS   A 116 ? 0.38791353 0.29983595 0.04976458 -0.07290885 0.01004725  0.00692844  227 LYS   A H     
1953 H  HA    . LYS   A 116 ? 0.39470840 0.29694468 0.04707290 -0.07039117 0.01855362  -0.00518312 227 LYS   A HA    
1954 H  HB2   . LYS   A 116 ? 0.42718011 0.34446043 0.05997597 -0.08040708 0.01592343  -0.01460775 227 LYS   A HB2   
1955 H  HB3   . LYS   A 116 ? 0.42782158 0.34278274 0.05959171 -0.08026651 0.01594438  -0.01438675 227 LYS   A HB3   
1956 H  HG2   . LYS   A 116 ? 0.45579344 0.39175659 0.09046490 -0.09304240 0.01447330  -0.02686580 227 LYS   A HG2   
1957 H  HG3   . LYS   A 116 ? 0.45628849 0.39023784 0.09019089 -0.09290585 0.01428928  -0.02638123 227 LYS   A HG3   
1958 H  HD2   . LYS   A 116 ? 0.48276830 0.43069494 0.11525734 -0.09919599 0.01661959  -0.04040792 227 LYS   A HD2   
1959 H  HD3   . LYS   A 116 ? 0.48312962 0.42970085 0.11512882 -0.09899330 0.01672138  -0.04029658 227 LYS   A HD3   
1960 H  HE2   . LYS   A 116 ? 0.51010948 0.46410072 0.14661065 -0.09872210 0.01621421  -0.07448328 227 LYS   A HE2   
1961 H  HE3   . LYS   A 116 ? 0.51092744 0.46315613 0.14655383 -0.09855001 0.01594814  -0.07421814 227 LYS   A HE3   
1962 H  HZ1   . LYS   A 116 ? 0.53340286 0.49129611 0.15792055 -0.09873889 0.01937471  -0.09798065 227 LYS   A HZ1   
1963 H  HZ2   . LYS   A 116 ? 0.53193253 0.49420720 0.15819198 -0.09948806 0.02003932  -0.09897195 227 LYS   A HZ2   
1964 H  HZ3   . LYS   A 116 ? 0.53196836 0.49225503 0.15826733 -0.09833270 0.02007836  -0.09789227 227 LYS   A HZ3   
1965 N  N     . LEU   A 117 ? 0.36356989 0.24964647 0.03490919 -0.04630916 0.03586782  0.00576383  228 LEU   A N     
1966 C  CA    . LEU   A 117 ? 0.36339551 0.24540539 0.03146572 -0.03345761 0.03400709  0.00012080  228 LEU   A CA    
1967 C  C     . LEU   A 117 ? 0.37310597 0.23669928 0.03475882 -0.02883046 0.05137100  0.00981444  228 LEU   A C     
1968 O  O     . LEU   A 117 ? 0.34133106 0.22949700 0.03089290 -0.01120769 0.04706656  0.02119173  228 LEU   A O     
1969 C  CB    . LEU   A 117 ? 0.38419983 0.25785810 0.01477147 -0.02655100 0.03941081  -0.03564219 228 LEU   A CB    
1970 C  CG    . LEU   A 117 ? 0.36685750 0.30014151 0.03284547 -0.02702263 0.02933817  0.00712212  228 LEU   A CG    
1971 C  CD1   . LEU   A 117 ? 0.36785835 0.31364474 0.02283247 -0.02986853 0.03412071  -0.00020019 228 LEU   A CD1   
1972 C  CD2   . LEU   A 117 ? 0.37297073 0.29813206 0.05773814 -0.03005292 0.04265042  0.01434036  228 LEU   A CD2   
1973 H  H     . LEU   A 117 ? 0.36566496 0.25103995 0.03203660 -0.04778676 0.03377333  0.00229699  228 LEU   A H     
1974 H  HA    . LEU   A 117 ? 0.36721817 0.24627031 0.02703201 -0.03322875 0.03804010  -0.00289730 228 LEU   A HA    
1975 H  HB2   . LEU   A 117 ? 0.37831181 0.25814152 0.01166943 -0.02735668 0.03854334  -0.02115146 228 LEU   A HB2   
1976 H  HB3   . LEU   A 117 ? 0.37620640 0.26022375 0.01138008 -0.02806955 0.03709890  -0.02108953 228 LEU   A HB3   
1977 H  HG    . LEU   A 117 ? 0.37064716 0.29459307 0.02757851 -0.02708233 0.03423805  -0.00013967 228 LEU   A HG    
1978 H  HD11  . LEU   A 117 ? 0.36728764 0.31156427 0.02523805 -0.02953436 0.03316278  0.00180493  228 LEU   A HD11  
1979 H  HD12  . LEU   A 117 ? 0.36693582 0.31034631 0.02529769 -0.02931683 0.03330082  0.00179142  228 LEU   A HD12  
1980 H  HD13  . LEU   A 117 ? 0.36715099 0.31039590 0.02520201 -0.02940840 0.03314214  0.00176493  228 LEU   A HD13  
1981 H  HD21  . LEU   A 117 ? 0.37172189 0.29861304 0.05613483 -0.02907895 0.04028194  0.01236279  228 LEU   A HD21  
1982 H  HD22  . LEU   A 117 ? 0.37242076 0.29914206 0.05294488 -0.02847234 0.04053229  0.01347818  228 LEU   A HD22  
1983 H  HD23  . LEU   A 117 ? 0.37181690 0.29886419 0.05256094 -0.02897882 0.03996547  0.01310064  228 LEU   A HD23  
1984 N  N     . ASN   A 118 ? 0.40781838 0.22725171 0.08644676 -0.02857670 0.06446222  0.00924868  229 ASN   A N     
1985 C  CA    . ASN   A 118 ? 0.42880702 0.22803858 0.12386335 -0.01620387 0.07656126  0.00985357  229 ASN   A CA    
1986 C  C     . ASN   A 118 ? 0.41672319 0.23281176 0.09693635 -0.01062531 0.06143922  0.00552884  229 ASN   A C     
1987 O  O     . ASN   A 118 ? 0.44282424 0.26234603 0.12981570 0.00205271  0.07995619  0.02047041  229 ASN   A O     
1988 C  CB    . ASN   A 118 ? 0.49446076 0.23123886 0.18490197 -0.01473997 0.08870637  0.01939639  229 ASN   A CB    
1989 C  CG    . ASN   A 118 ? 0.55542910 0.24000598 0.21631436 -0.02811653 0.08018588  -0.00407209 229 ASN   A CG    
1990 O  OD1   . ASN   A 118 ? 0.61790836 0.27291429 0.15880859 -0.01739790 0.07073744  -0.01643367 229 ASN   A OD1   
1991 N  ND2   . ASN   A 118 ? 0.61960709 0.25298351 0.27182096 -0.01739650 0.09167649  -0.02461307 229 ASN   A ND2   
1992 H  H     . ASN   A 118 ? 0.40246341 0.23037219 0.07880845 -0.02666663 0.06309383  0.00938941  229 ASN   A H     
1993 H  HA    . ASN   A 118 ? 0.42875874 0.23036166 0.11864798 -0.01581898 0.07514939  0.01139876  229 ASN   A HA    
1994 H  HB2   . ASN   A 118 ? 0.49053001 0.23271255 0.17561974 -0.01604886 0.08534215  0.01488234  229 ASN   A HB2   
1995 H  HB3   . ASN   A 118 ? 0.48975104 0.23263736 0.17700635 -0.01585940 0.08545263  0.01450053  229 ASN   A HB3   
1996 H  HD21  . ASN   A 118 ? 0.60565639 0.25228333 0.25665087 -0.02207247 0.09413665  -0.01959955 229 ASN   A HD21  
1997 H  HD22  . ASN   A 118 ? 0.60575986 0.25127053 0.25781989 -0.01872685 0.09439140  -0.01641775 229 ASN   A HD22  
1998 N  N     . GLU   A 119 ? 0.40616405 0.22388594 0.03784123 -0.01612589 0.05223488  -0.00257544 230 GLU   A N     
1999 C  CA    . GLU   A 119 ? 0.38765943 0.22183712 0.01850615 -0.02103888 0.02372633  -0.00522179 230 GLU   A CA    
2000 C  C     . GLU   A 119 ? 0.36028245 0.20768437 0.00672847 -0.01089242 0.01083455  0.00326003  230 GLU   A C     
2001 O  O     . GLU   A 119 ? 0.35966390 0.21677278 0.00680275 -0.00900586 0.01090077  -0.00558267 230 GLU   A O     
2002 C  CB    . GLU   A 119 ? 0.39077866 0.23331912 0.03183023 -0.03332724 0.02120747  -0.01401721 230 GLU   A CB    
2003 C  CG    . GLU   A 119 ? 0.42088801 0.25210437 0.05801451 -0.04090487 0.03902861  -0.03671165 230 GLU   A CG    
2004 C  CD    . GLU   A 119 ? 0.43586543 0.26561582 0.04686590 -0.05100945 0.04679708  -0.04504583 230 GLU   A CD    
2005 O  OE1   . GLU   A 119 ? 0.45256576 0.30610147 0.03111219 -0.04643742 0.04450899  -0.04774513 230 GLU   A OE1   
2006 O  OE2   . GLU   A 119 ? 0.49873799 0.30163521 0.12117026 -0.07038651 0.06061637  -0.08219534 230 GLU   A OE2   
2007 H  H     . GLU   A 119 ? 0.40220886 0.22466801 0.04286878 -0.01593443 0.04781179  -0.00167957 230 GLU   A H     
2008 H  HA    . GLU   A 119 ? 0.38657621 0.22153756 0.01805829 -0.02054141 0.02595342  -0.00423684 230 GLU   A HA    
2009 H  HB2   . GLU   A 119 ? 0.39436924 0.23350596 0.03402173 -0.03198224 0.02517641  -0.01569416 230 GLU   A HB2   
2010 H  HB3   . GLU   A 119 ? 0.39427170 0.23281448 0.03288673 -0.03206612 0.02526198  -0.01508365 230 GLU   A HB3   
2011 H  HG2   . GLU   A 119 ? 0.41793275 0.25101256 0.05095683 -0.04129629 0.03639813  -0.03340137 230 GLU   A HG2   
2012 H  HG3   . GLU   A 119 ? 0.41799200 0.25235769 0.05219677 -0.04022050 0.03567195  -0.03473762 230 GLU   A HG3   
2013 N  N     . ILE   A 120 ? 0.35068235 0.20929888 0.00645717 -0.00218238 0.00416696  -0.00390624 231 ILE   A N     
2014 C  CA    . ILE   A 120 ? 0.33375597 0.20981738 0.00728015 0.00304531  0.01757260  0.00111617  231 ILE   A CA    
2015 C  C     . ILE   A 120 ? 0.32135651 0.21335562 0.00658219 0.00749750  0.00882358  -0.00050447 231 ILE   A C     
2016 O  O     . ILE   A 120 ? 0.33382022 0.25295109 0.00638017 0.02989623  0.00252789  -0.00238611 231 ILE   A O     
2017 C  CB    . ILE   A 120 ? 0.32908562 0.22854853 0.00725306 -0.00145077 0.01723106  0.00027369  231 ILE   A CB    
2018 C  CG1   . ILE   A 120 ? 0.32423410 0.23009744 0.00962712 -0.00715141 0.02689921  0.00710845  231 ILE   A CG1   
2019 C  CG2   . ILE   A 120 ? 0.33863884 0.23288089 0.00683405 -0.00188465 0.01285402  -0.00105524 231 ILE   A CG2   
2020 C  CD1   . ILE   A 120 ? 0.32947919 0.23371154 0.01118342 -0.00448093 0.03155455  0.01014117  231 ILE   A CD1   
2021 H  H     . ILE   A 120 ? 0.35024557 0.21199173 0.00660519 -0.00220661 0.00889668  -0.00301222 231 ILE   A H     
2022 H  HA    . ILE   A 120 ? 0.33359838 0.21058321 0.00686184 0.00278851  0.01298813  0.00178941  231 ILE   A HA    
2023 H  HB    . ILE   A 120 ? 0.33056259 0.22609469 0.00731783 -0.00151600 0.01781898  0.00106087  231 ILE   A HB    
2024 H  HG12  . ILE   A 120 ? 0.32590291 0.23133516 0.00860706 -0.00597546 0.02605306  0.00533057  231 ILE   A HG12  
2025 H  HG13  . ILE   A 120 ? 0.32613495 0.23130636 0.00861969 -0.00563082 0.02573023  0.00653158  231 ILE   A HG13  
2026 H  HG21  . ILE   A 120 ? 0.33483762 0.23106548 0.00700266 -0.00160365 0.01481091  -0.00079427 231 ILE   A HG21  
2027 H  HG22  . ILE   A 120 ? 0.33540434 0.23034348 0.00695058 -0.00157286 0.01425480  -0.00040496 231 ILE   A HG22  
2028 H  HG23  . ILE   A 120 ? 0.33562249 0.23105156 0.00696524 -0.00151370 0.01440577  -0.00080699 231 ILE   A HG23  
2029 H  HD11  . ILE   A 120 ? 0.32856840 0.23266889 0.01067864 -0.00516474 0.03068103  0.00931602  231 ILE   A HD11  
2030 H  HD12  . ILE   A 120 ? 0.32880545 0.23264475 0.01063932 -0.00494883 0.03080956  0.00944853  231 ILE   A HD12  
2031 H  HD13  . ILE   A 120 ? 0.32845658 0.23327243 0.01030760 -0.00494518 0.03050668  0.00976445  231 ILE   A HD13  
2032 N  N     . SER   A 121 ? 0.30505466 0.21669503 0.00643363 0.00671801  -0.00323264 -0.00379936 232 SER   A N     
2033 C  CA    . SER   A 121 ? 0.31008798 0.21651882 0.00773680 0.01201727  -0.00070223 -0.01001591 232 SER   A CA    
2034 C  C     . SER   A 121 ? 0.29695529 0.22515942 0.00735609 0.01445281  -0.00437224 -0.01467048 232 SER   A C     
2035 O  O     . SER   A 121 ? 0.29516116 0.24996682 0.01569676 0.01558340  -0.00089348 -0.03164878 232 SER   A O     
2036 C  CB    . SER   A 121 ? 0.32449642 0.22445151 0.01758377 0.01892747  -0.00566853 -0.02108186 232 SER   A CB    
2037 O  OG    . SER   A 121 ? 0.34112576 0.23650411 0.04370762 0.01948229  -0.01612625 -0.03217939 232 SER   A OG    
2038 H  H     . SER   A 121 ? 0.30865303 0.21467507 0.00636577 0.00865683  -0.00139002 -0.00240130 232 SER   A H     
2039 H  HA    . SER   A 121 ? 0.30938420 0.21943533 0.00700445 0.01289989  -0.00231080 -0.01189089 232 SER   A HA    
2040 H  HB2   . SER   A 121 ? 0.32462022 0.22466893 0.01931791 0.01791152  -0.00678862 -0.02034681 232 SER   A HB2   
2041 H  HB3   . SER   A 121 ? 0.32436123 0.22523731 0.02011087 0.01788255  -0.00669858 -0.02085462 232 SER   A HB3   
2042 H  HG    . SER   A 121 ? 0.21586478 0.21586478 0.21586478 0.00000000  0.00000000  0.00000000  232 SER   A HG    
2043 N  N     . LYS   A 122 ? 0.29373977 0.22504756 0.00806060 0.01336824  -0.00400090 -0.01928381 233 LYS   A N     
2044 C  CA    . LYS   A 122 ? 0.30499029 0.24592789 0.03071590 0.00742482  0.00650396  -0.03491709 233 LYS   A CA    
2045 C  C     . LYS   A 122 ? 0.27690855 0.23774903 0.01654998 0.00358222  -0.00102583 -0.03276214 233 LYS   A C     
2046 O  O     . LYS   A 122 ? 0.27507409 0.24274614 0.02964033 0.00417475  -0.00995303 -0.04173119 233 LYS   A O     
2047 C  CB    . LYS   A 122 ? 0.35343042 0.27646926 0.04661952 -0.00307442 0.01908378  -0.02595488 233 LYS   A CB    
2048 C  CG    . LYS   A 122 ? 0.38417631 0.32909259 0.09777413 0.00683376  0.03324695  -0.03139658 233 LYS   A CG    
2049 C  CD    . LYS   A 122 ? 0.42524394 0.37533736 0.16439800 0.00018027  0.04446469  0.00348628  233 LYS   A CD    
2050 C  CE    . LYS   A 122 ? 0.44973558 0.40779334 0.20994793 0.01314540  0.06546475  -0.00827103 233 LYS   A CE    
2051 N  NZ    . LYS   A 122 ? 0.47542822 0.44272649 0.27984700 0.03402099  0.07760222  -0.00871382 233 LYS   A NZ    
2052 H  H     . LYS   A 122 ? 0.29534552 0.22843166 0.00840514 0.01251884  -0.00199425 -0.02124946 233 LYS   A H     
2053 H  HA    . LYS   A 122 ? 0.30332175 0.24376200 0.02525537 0.00620872  0.00552081  -0.03052658 233 LYS   A HA    
2054 H  HB2   . LYS   A 122 ? 0.34682849 0.27542111 0.05132546 0.00077343  0.02032056  -0.02898914 233 LYS   A HB2   
2055 H  HB3   . LYS   A 122 ? 0.34503010 0.27617589 0.05049634 0.00087079  0.01961662  -0.02921949 233 LYS   A HB3   
2056 H  HG2   . LYS   A 122 ? 0.38349211 0.32144424 0.09299156 0.00378657  0.03274269  -0.02456917 233 LYS   A HG2   
2057 H  HG3   . LYS   A 122 ? 0.38179368 0.32136765 0.09230650 0.00491077  0.03206681  -0.02322593 233 LYS   A HG3   
2058 H  HD2   . LYS   A 122 ? 0.42086637 0.36980245 0.15270138 0.00375583  0.04742893  -0.00601809 233 LYS   A HD2   
2059 H  HD3   . LYS   A 122 ? 0.41978496 0.37113291 0.15320298 0.00582958  0.04814494  -0.00486435 233 LYS   A HD3   
2060 H  HE2   . LYS   A 122 ? 0.44889027 0.40603054 0.20893513 0.01379659  0.06377993  -0.00539475 233 LYS   A HE2   
2061 H  HE3   . LYS   A 122 ? 0.44893137 0.40722662 0.20971768 0.01411247  0.06348303  -0.00632098 233 LYS   A HE3   
2062 H  HZ1   . LYS   A 122 ? 0.46921340 0.43822870 0.26371717 0.03237142  0.07577880  -0.01135754 233 LYS   A HZ1   
2063 H  HZ2   . LYS   A 122 ? 0.47181857 0.43679219 0.26488653 0.03309269  0.07826536  -0.00689621 233 LYS   A HZ2   
2064 H  HZ3   . LYS   A 122 ? 0.47172076 0.43597043 0.27103931 0.03032799  0.07431343  -0.00635502 233 LYS   A HZ3   
2065 N  N     . LEU   A 123 ? 0.26717526 0.23756546 0.02344554 0.00919397  -0.00415104 -0.03954485 234 LEU   A N     
2066 C  CA    . LEU   A 123 ? 0.27149147 0.25893992 0.01391627 0.00295527  0.00355655  -0.04358830 234 LEU   A CA    
2067 C  C     . LEU   A 123 ? 0.26353514 0.26018995 0.02072067 0.00469483  0.01778569  -0.05101226 234 LEU   A C     
2068 O  O     . LEU   A 123 ? 0.26933399 0.27406061 0.06909181 -0.00280791 0.00423494  -0.04749047 234 LEU   A O     
2069 C  CB    . LEU   A 123 ? 0.29039708 0.27410626 0.01250498 0.00343273  -0.00809081 -0.03998327 234 LEU   A CB    
2070 C  CG    . LEU   A 123 ? 0.31848794 0.28439686 0.00975431 0.00104825  -0.00135648 -0.03082356 234 LEU   A CG    
2071 C  CD1   . LEU   A 123 ? 0.32185996 0.29285297 0.01033990 0.00415357  0.00491738  -0.03349129 234 LEU   A CD1   
2072 C  CD2   . LEU   A 123 ? 0.33610019 0.30075124 0.00825008 0.00841902  -0.01671256 -0.01817346 234 LEU   A CD2   
2073 H  H     . LEU   A 123 ? 0.26841426 0.24165216 0.01785294 0.00733064  -0.00197958 -0.03923292 234 LEU   A H     
2074 H  HA    . LEU   A 123 ? 0.27225479 0.25746927 0.01399151 0.00415463  0.00289711  -0.04371566 234 LEU   A HA    
2075 H  HB2   . LEU   A 123 ? 0.29130328 0.27269226 0.01212719 0.00376020  -0.00435577 -0.03911428 234 LEU   A HB2   
2076 H  HB3   . LEU   A 123 ? 0.29061860 0.27256101 0.01216080 0.00353233  -0.00441013 -0.03921054 234 LEU   A HB3   
2077 H  HG    . LEU   A 123 ? 0.31580210 0.28539646 0.00977100 0.00251329  -0.00324543 -0.03084797 234 LEU   A HG    
2078 H  HD11  . LEU   A 123 ? 0.31992051 0.28917393 0.01005800 0.00391553  0.00326630  -0.03226867 234 LEU   A HD11  
2079 H  HD12  . LEU   A 123 ? 0.32017037 0.28853208 0.01034179 0.00409124  0.00373727  -0.03339717 234 LEU   A HD12  
2080 H  HD13  . LEU   A 123 ? 0.32079825 0.29036182 0.01018162 0.00423385  0.00336629  -0.03286041 234 LEU   A HD13  
2081 H  HD21  . LEU   A 123 ? 0.33255738 0.29723421 0.00835498 0.00660642  -0.01249795 -0.02143862 234 LEU   A HD21  
2082 H  HD22  . LEU   A 123 ? 0.33232874 0.29813945 0.00838317 0.00763231  -0.01263668 -0.02163033 234 LEU   A HD22  
2083 H  HD23  . LEU   A 123 ? 0.33198327 0.29983506 0.00810296 0.00600079  -0.01341524 -0.01914894 234 LEU   A HD23  
2084 N  N     . GLY   A 124 ? 0.26749328 0.25571984 0.01510973 -0.00296990 0.01906891  -0.04312874 235 GLY   A N     
2085 C  CA    . GLY   A 124 ? 0.26398864 0.25825256 0.01550838 -0.01023994 0.02310989  -0.04318547 235 GLY   A CA    
2086 C  C     . GLY   A 124 ? 0.26294395 0.24370767 0.01355849 -0.00863941 0.02032438  -0.03717405 235 GLY   A C     
2087 O  O     . GLY   A 124 ? 0.26424450 0.25472775 0.03487358 -0.01324572 0.02870429  -0.05734360 235 GLY   A O     
2088 H  H     . GLY   A 124 ? 0.26624846 0.25699937 0.01585335 -0.00242452 0.01934236  -0.04518647 235 GLY   A H     
2089 H  HA2   . GLY   A 124 ? 0.26408488 0.25508559 0.01519142 -0.00861331 0.02225178  -0.04226242 235 GLY   A HA2   
2090 H  HA3   . GLY   A 124 ? 0.26466078 0.25521523 0.01546795 -0.00901859 0.02284575  -0.04285173 235 GLY   A HA3   
2091 N  N     . ILE   A 125 ? 0.26349214 0.24726887 0.01683958 -0.01183077 0.02349918  -0.03054211 236 ILE   A N     
2092 C  CA    . ILE   A 125 ? 0.27205208 0.25316873 0.02406390 -0.00664712 0.01864488  -0.03790414 236 ILE   A CA    
2093 C  C     . ILE   A 125 ? 0.27594507 0.25457004 0.04904923 -0.01076468 0.02585189  -0.03905717 236 ILE   A C     
2094 O  O     . ILE   A 125 ? 0.28740376 0.27123493 0.09635750 -0.01407877 0.04860557  -0.05317746 236 ILE   A O     
2095 C  CB    . ILE   A 125 ? 0.28480312 0.26438588 0.05259223 -0.00708938 -0.00238868 -0.02635947 236 ILE   A CB    
2096 C  CG1   . ILE   A 125 ? 0.29533890 0.27013543 0.06389590 -0.00540073 -0.00631967 -0.02417240 236 ILE   A CG1   
2097 C  CG2   . ILE   A 125 ? 0.28338987 0.26772970 0.06489629 -0.01131367 -0.00245790 -0.03548064 236 ILE   A CG2   
2098 C  CD1   . ILE   A 125 ? 0.30676991 0.28324473 0.08502677 -0.00296609 -0.01108178 -0.01573152 236 ILE   A CD1   
2099 H  H     . ILE   A 125 ? 0.26372233 0.24770735 0.01651866 -0.01020694 0.02264903  -0.03363450 236 ILE   A H     
2100 H  HA    . ILE   A 125 ? 0.27146038 0.25343418 0.03184536 -0.00829336 0.01808691  -0.03525728 236 ILE   A HA    
2101 H  HB    . ILE   A 125 ? 0.28482449 0.26346722 0.05115999 -0.00722284 0.00026459  -0.02964326 236 ILE   A HB    
2102 H  HG12  . ILE   A 125 ? 0.29503840 0.27059168 0.06506082 -0.00506291 -0.00625193 -0.02311534 236 ILE   A HG12  
2103 H  HG13  . ILE   A 125 ? 0.29460472 0.26997918 0.06399563 -0.00517403 -0.00602218 -0.02397171 236 ILE   A HG13  
2104 H  HG21  . ILE   A 125 ? 0.28433076 0.26716611 0.06296840 -0.01041395 -0.00156996 -0.03357553 236 ILE   A HG21  
2105 H  HG22  . ILE   A 125 ? 0.28372127 0.26688766 0.06210164 -0.01018067 -0.00216077 -0.03337539 236 ILE   A HG22  
2106 H  HG23  . ILE   A 125 ? 0.28366688 0.26725042 0.06206053 -0.01005304 -0.00201663 -0.03353368 236 ILE   A HG23  
2107 H  HD11  . ILE   A 125 ? 0.30512097 0.27991003 0.08064602 -0.00330539 -0.01057878 -0.01767451 236 ILE   A HD11  
2108 H  HD12  . ILE   A 125 ? 0.30371201 0.28089425 0.08004008 -0.00322727 -0.00974039 -0.01793958 236 ILE   A HD12  
2109 H  HD13  . ILE   A 125 ? 0.30352581 0.28075764 0.08417390 -0.00351399 -0.00975590 -0.01581028 236 ILE   A HD13  
2110 N  N     . SER   A 126 ? 0.27484375 0.24583672 0.05147918 -0.01326610 0.02831550  -0.03276438 237 SER   A N     
2111 C  CA    . SER   A 126 ? 0.28328460 0.25401440 0.05007986 -0.01007758 0.02255810  -0.03224484 237 SER   A CA    
2112 C  C     . SER   A 126 ? 0.27887923 0.24478038 0.04424201 -0.01439529 0.02719511  -0.02526066 237 SER   A C     
2113 O  O     . SER   A 126 ? 0.27825400 0.24895759 0.04066480 -0.01892305 0.02456084  -0.02131832 237 SER   A O     
2114 C  CB    . SER   A 126 ? 0.30069321 0.26676142 0.05227974 -0.00434811 0.01670316  -0.03471057 237 SER   A CB    
2115 O  OG    . SER   A 126 ? 0.30830571 0.30136144 0.06618091 0.00049902  0.00732450  -0.02961027 237 SER   A OG    
2116 H  H     . SER   A 126 ? 0.27486193 0.24899189 0.05050241 -0.01253136 0.02730444  -0.03396681 237 SER   A H     
2117 H  HA    . SER   A 126 ? 0.28359243 0.25351065 0.05012069 -0.01058900 0.02365934  -0.03116408 237 SER   A HA    
2118 H  HB2   . SER   A 126 ? 0.29882878 0.26910639 0.05515534 -0.00452837 0.01634174  -0.03262417 237 SER   A HB2   
2119 H  HB3   . SER   A 126 ? 0.29786384 0.26901966 0.05381162 -0.00374931 0.01685541  -0.03379683 237 SER   A HB3   
2120 H  HG    . SER   A 126 ? 0.23446988 0.23446988 0.23446988 0.00000000  0.00000000  0.00000000  237 SER   A HG    
2121 N  N     . GLY   A 127 ? 0.29287034 0.24767728 0.05096052 -0.02087907 0.03569422  -0.01170145 238 GLY   A N     
2122 C  CA    . GLY   A 127 ? 0.30246511 0.24523665 0.04767536 -0.01822551 0.02364171  -0.00848074 238 GLY   A CA    
2123 C  C     . GLY   A 127 ? 0.30757973 0.25950605 0.04599658 -0.01248936 0.02271222  -0.01157315 238 GLY   A C     
2124 O  O     . GLY   A 127 ? 0.31194094 0.27008176 0.03131472 -0.00216274 0.01085002  -0.01585512 238 GLY   A O     
2125 H  H     . GLY   A 127 ? 0.29024419 0.24717323 0.04865171 -0.01926795 0.03309238  -0.01411336 238 GLY   A H     
2126 H  HA2   . GLY   A 127 ? 0.30149361 0.24727942 0.04746174 -0.01719282 0.02554535  -0.00870619 238 GLY   A HA2   
2127 H  HA3   . GLY   A 127 ? 0.30173337 0.24827446 0.04781495 -0.01723012 0.02549601  -0.00978546 238 GLY   A HA3   
2128 N  N     . ASP   A 128 ? 0.32396951 0.26778385 0.03940487 -0.00432640 0.00951772  -0.02708856 239 ASP   A N     
2129 C  CA    . ASP   A 128 ? 0.33263722 0.28163776 0.03667146 -0.00088475 -0.00034520 -0.02631805 239 ASP   A CA    
2130 C  C     . ASP   A 128 ? 0.32447410 0.29042494 0.02609867 -0.00528442 0.00673363  -0.01903560 239 ASP   A C     
2131 O  O     . ASP   A 128 ? 0.33817387 0.30271664 0.03551053 0.00722989  0.01222020  -0.03148646 239 ASP   A O     
2132 C  CB    . ASP   A 128 ? 0.34697407 0.28657433 0.07773556 0.00578145  0.00077897  -0.02586162 239 ASP   A CB    
2133 C  CG    . ASP   A 128 ? 0.35621104 0.28728148 0.07148879 0.00777846  0.00240292  -0.02867064 239 ASP   A CG    
2134 O  OD1   . ASP   A 128 ? 0.37335944 0.34683585 0.10158181 0.00272247  0.01548781  -0.00611215 239 ASP   A OD1   
2135 O  OD2   . ASP   A 128 ? 0.36236519 0.27068919 0.10588508 0.00658816  -0.00975292 -0.01234059 239 ASP   A OD2   
2136 H  H     . ASP   A 128 ? 0.32288164 0.26833978 0.04037874 -0.00541176 0.01069240  -0.02339989 239 ASP   A H     
2137 H  HA    . ASP   A 128 ? 0.33188343 0.28116316 0.04261591 -0.00085825 0.00194761  -0.02484037 239 ASP   A HA    
2138 H  HB2   . ASP   A 128 ? 0.34695894 0.28559062 0.06781955 0.00556807  0.00025200  -0.02668102 239 ASP   A HB2   
2139 H  HB3   . ASP   A 128 ? 0.34698951 0.28664508 0.06854331 0.00607302  0.00167625  -0.02541402 239 ASP   A HB3   
2140 N  N     . ILE   A 129 ? 0.31435663 0.29696286 0.02328256 -0.00197996 0.01016678  -0.02739376 240 ILE   A N     
2141 C  CA    . ILE   A 129 ? 0.31215239 0.29352212 0.02509752 -0.00623640 0.01257047  -0.02678205 240 ILE   A CA    
2142 C  C     . ILE   A 129 ? 0.31669611 0.29147884 0.02913536 -0.01405094 0.01896061  -0.02112875 240 ILE   A C     
2143 O  O     . ILE   A 129 ? 0.31873155 0.30647844 0.03319572 -0.00896332 0.02318491  -0.01534336 240 ILE   A O     
2144 C  CB    . ILE   A 129 ? 0.31620732 0.29545882 0.02218160 -0.00749301 0.01610815  -0.02674873 240 ILE   A CB    
2145 C  CG1   . ILE   A 129 ? 0.32181391 0.29917261 0.03714366 -0.01170668 0.00878534  -0.04033384 240 ILE   A CG1   
2146 C  CG2   . ILE   A 129 ? 0.32073450 0.32085663 0.02429809 -0.00705545 0.02529090  -0.01906603 240 ILE   A CG2   
2147 C  CD1   . ILE   A 129 ? 0.31920683 0.29264522 0.03852485 -0.00626166 0.00122712  -0.05297494 240 ILE   A CD1   
2148 H  H     . ILE   A 129 ? 0.31583020 0.29455420 0.02274584 -0.00344117 0.01022951  -0.02573991 240 ILE   A H     
2149 H  HA    . ILE   A 129 ? 0.31409428 0.29345530 0.02510134 -0.00699688 0.01391381  -0.02637491 240 ILE   A HA    
2150 H  HB    . ILE   A 129 ? 0.31656075 0.29810628 0.02464296 -0.00715420 0.01517479  -0.02671452 240 ILE   A HB    
2151 H  HG12  . ILE   A 129 ? 0.32074803 0.29770672 0.03585929 -0.01031350 0.00931164  -0.04095763 240 ILE   A HG12  
2152 H  HG13  . ILE   A 129 ? 0.32083592 0.29796633 0.03541086 -0.01001696 0.00896958  -0.03993452 240 ILE   A HG13  
2153 H  HG21  . ILE   A 129 ? 0.31962278 0.31566444 0.02502661 -0.00617953 0.02273409  -0.02145029 240 ILE   A HG21  
2154 H  HG22  . ILE   A 129 ? 0.31962156 0.31401202 0.02570255 -0.00686128 0.02314204  -0.02161566 240 ILE   A HG22  
2155 H  HG23  . ILE   A 129 ? 0.31944484 0.31456798 0.02656147 -0.00693792 0.02273087  -0.02036021 240 ILE   A HG23  
2156 H  HD11  . ILE   A 129 ? 0.31902483 0.29391181 0.03822712 -0.00701267 0.00344777  -0.04949082 240 ILE   A HD11  
2157 H  HD12  . ILE   A 129 ? 0.31896225 0.29343176 0.03750580 -0.00679605 0.00393917  -0.05053726 240 ILE   A HD12  
2158 H  HD13  . ILE   A 129 ? 0.31946698 0.29411969 0.03813372 -0.00694703 0.00355515  -0.04928885 240 ILE   A HD13  
2159 N  N     A ASP   A 130 ? 0.32045668 0.29851666 0.02281510 -0.01831490 0.01944729  -0.02123972 241 ASP   A N     
2160 N  N     B ASP   A 130 ? 0.32185066 0.29836568 0.02159171 -0.01550662 0.01949835  -0.01832171 241 ASP   A N     
2161 C  CA    A ASP   A 130 ? 0.32814419 0.30195352 0.04212861 -0.01980879 0.02456813  -0.02005298 241 ASP   A CA    
2162 C  CA    B ASP   A 130 ? 0.32868180 0.30600050 0.03304476 -0.01546679 0.02345967  -0.01620734 241 ASP   A CA    
2163 C  C     A ASP   A 130 ? 0.31836376 0.30044085 0.02886134 -0.01332532 0.03026910  -0.01809677 241 ASP   A C     
2164 C  C     B ASP   A 130 ? 0.31930855 0.30216753 0.02998543 -0.01080660 0.02828881  -0.01931329 241 ASP   A C     
2165 O  O     A ASP   A 130 ? 0.34315383 0.31994310 0.03627415 -0.01407171 0.03971371  -0.00504210 241 ASP   A O     
2166 O  O     B ASP   A 130 ? 0.34090054 0.32074195 0.04544938 -0.01437248 0.04353544  -0.00795600 241 ASP   A O     
2167 C  CB    A ASP   A 130 ? 0.34238726 0.31568453 0.09486958 -0.03062561 0.00802629  -0.02898452 241 ASP   A CB    
2168 C  CB    B ASP   A 130 ? 0.34348655 0.32427004 0.07083813 -0.02191903 0.00505703  -0.02412291 241 ASP   A CB    
2169 C  CG    A ASP   A 130 ? 0.36128941 0.32504749 0.12807387 -0.03733750 0.00556111  -0.02743943 241 ASP   A CG    
2170 C  CG    B ASP   A 130 ? 0.35663655 0.34955084 0.09995078 -0.01738760 0.00175644  -0.01554082 241 ASP   A CG    
2171 O  OD1   A ASP   A 130 ? 0.38925743 0.33396119 0.14398970 -0.04424737 0.00810136  -0.01744444 241 ASP   A OD1   
2172 O  OD1   B ASP   A 130 ? 0.37646884 0.38137969 0.12086450 -0.01400037 -0.00445451 -0.04339122 241 ASP   A OD1   
2173 O  OD2   A ASP   A 130 ? 0.40682644 0.35380059 0.15857196 -0.04536550 -0.01981023 -0.04766101 241 ASP   A OD2   
2174 O  OD2   B ASP   A 130 ? 0.38219368 0.40150872 0.14071268 -0.00981157 -0.03545633 -0.02007790 241 ASP   A OD2   
2175 H  H     A ASP   A 130 ? 0.32001019 0.29731798 0.02571918 -0.01724301 0.02142823  -0.02201415 241 ASP   A H     
2176 H  H     B ASP   A 130 ? 0.32094616 0.29767203 0.02423467 -0.01474070 0.02108287  -0.01912889 241 ASP   A H     
2177 H  HA    A ASP   A 130 ? 0.32660705 0.30253395 0.04204538 -0.02028871 0.02375016  -0.02077138 241 ASP   A HA    
2178 H  HA    B ASP   A 130 ? 0.32712042 0.30607176 0.03357521 -0.01625098 0.02307029  -0.01733530 241 ASP   A HA    
2179 H  HB2   A ASP   A 130 ? 0.34363943 0.31447503 0.09375801 -0.02889350 0.00890909  -0.02724685 241 ASP   A HB2   
2180 H  HB2   B ASP   A 130 ? 0.34261969 0.32423955 0.06800526 -0.01957943 0.00836117  -0.02127865 241 ASP   A HB2   
2181 H  HB3   A ASP   A 130 ? 0.34305120 0.31453818 0.08918998 -0.02933531 0.01097766  -0.02671658 241 ASP   A HB3   
2182 H  HB3   B ASP   A 130 ? 0.34358770 0.32411230 0.07108606 -0.01930366 0.00663160  -0.02175284 241 ASP   A HB3   
2183 N  N     . LEU   A 131 ? 0.30288750 0.29656246 0.02645886 -0.01678829 0.03280258  -0.01685108 242 LEU   A N     
2184 C  CA    . LEU   A 131 ? 0.28978443 0.29551327 0.01140401 -0.01139641 0.03354463  -0.01918324 242 LEU   A CA    
2185 C  C     . LEU   A 131 ? 0.28395128 0.30967176 0.01198697 -0.01215101 0.03045940  -0.02779517 242 LEU   A C     
2186 O  O     . LEU   A 131 ? 0.28818148 0.34459132 0.01636849 -0.02087699 0.02931757  -0.01167477 242 LEU   A O     
2187 C  CB    . LEU   A 131 ? 0.28546819 0.30045992 0.01011363 -0.01164857 0.02843324  -0.01730517 242 LEU   A CB    
2188 C  CG    . LEU   A 131 ? 0.28152713 0.30195928 0.00983318 -0.01103919 0.01735998  -0.02734337 242 LEU   A CG    
2189 C  CD1   . LEU   A 131 ? 0.28402314 0.30051148 0.02765378 -0.01235307 0.01866298  -0.02908728 242 LEU   A CD1   
2190 C  CD2   . LEU   A 131 ? 0.28242984 0.31130782 0.01840112 -0.01152551 0.01523115  -0.04388009 242 LEU   A CD2   
2191 H  H     . LEU   A 131 ? 0.30569336 0.29776886 0.02039204 -0.01421598 0.03174008  -0.01904270 242 LEU   A H     
2192 H  HA    . LEU   A 131 ? 0.28771186 0.29828644 0.01150627 -0.01310143 0.03380778  -0.01957082 242 LEU   A HA    
2193 H  HB2   . LEU   A 131 ? 0.28472221 0.29969537 0.01024590 -0.01163527 0.02769477  -0.01957502 242 LEU   A HB2   
2194 H  HB3   . LEU   A 131 ? 0.28336602 0.29947597 0.01037575 -0.01220582 0.02858992  -0.01914051 242 LEU   A HB3   
2195 H  HG    . LEU   A 131 ? 0.28150663 0.30251843 0.01028062 -0.01096106 0.01900469  -0.02867557 242 LEU   A HG    
2196 H  HD11  . LEU   A 131 ? 0.28320652 0.30052271 0.02738624 -0.01204747 0.01906664  -0.02875871 242 LEU   A HD11  
2197 H  HD12  . LEU   A 131 ? 0.28317013 0.30056152 0.02412507 -0.01208878 0.01878623  -0.02876396 242 LEU   A HD12  
2198 H  HD13  . LEU   A 131 ? 0.28340966 0.30079231 0.02418257 -0.01224925 0.01891934  -0.02882745 242 LEU   A HD13  
2199 H  HD21  . LEU   A 131 ? 0.28317037 0.30939856 0.01695625 -0.01111005 0.01571530  -0.03986875 242 LEU   A HD21  
2200 H  HD22  . LEU   A 131 ? 0.28275758 0.30915898 0.01658124 -0.01163837 0.01626405  -0.03979299 242 LEU   A HD22  
2201 H  HD23  . LEU   A 131 ? 0.28234795 0.30946574 0.01645436 -0.01131830 0.01602206  -0.03960463 242 LEU   A HD23  
2202 N  N     . THR   A 132 ? 0.28585878 0.29793951 0.01061365 -0.01808415 0.02599367  -0.02494831 243 THR   A N     
2203 C  CA    . THR   A 132 ? 0.30024526 0.31639874 0.02162626 -0.01730725 0.00149761  -0.03328625 243 THR   A CA    
2204 C  C     . THR   A 132 ? 0.28629786 0.31407729 0.03294675 -0.01018293 0.00772220  -0.01812045 243 THR   A C     
2205 O  O     . THR   A 132 ? 0.29112986 0.32940131 0.11248345 0.00320548  -0.00327933 -0.01959891 243 THR   A O     
2206 C  CB    . THR   A 132 ? 0.33945677 0.34198320 0.01898792 -0.02441661 -0.00355168 -0.05361213 243 THR   A CB    
2207 O  OG1   . THR   A 132 ? 0.36360532 0.35850060 0.03594113 -0.01978360 0.02028888  -0.05603614 243 THR   A OG1   
2208 C  CG2   . THR   A 132 ? 0.36137033 0.36107054 0.04995145 -0.02496183 -0.01339993 -0.02562463 243 THR   A CG2   
2209 H  H     . THR   A 132 ? 0.28570783 0.30348808 0.01062508 -0.01681878 0.02370623  -0.02741711 243 THR   A H     
2210 H  HA    . THR   A 132 ? 0.30086109 0.31689656 0.01893435 -0.01683621 0.00723308  -0.03185039 243 THR   A HA    
2211 H  HB    . THR   A 132 ? 0.33890358 0.34197000 0.02705928 -0.02172379 0.00072527  -0.04644058 243 THR   A HB    
2212 H  HG1   . THR   A 132 ? 0.26139596 0.26139596 0.26139596 0.00000000  0.00000000  0.00000000  243 THR   A HG1   
2213 H  HG21  . THR   A 132 ? 0.35601753 0.35659847 0.05002425 -0.02480578 -0.01322859 -0.03217749 243 THR   A HG21  
2214 H  HG22  . THR   A 132 ? 0.35713726 0.35697928 0.04278489 -0.02405986 -0.01188319 -0.03253257 243 THR   A HG22  
2215 H  HG23  . THR   A 132 ? 0.35542262 0.35965991 0.04302709 -0.02487311 -0.01156116 -0.03125095 243 THR   A HG23  
2216 N  N     . SER   A 133 ? 0.28454009 0.30793735 0.04967427 -0.00419917 0.00799095  -0.02738785 244 SER   A N     
2217 C  CA    . SER   A 133 ? 0.29165757 0.30525371 0.08578602 -0.00130069 0.01410234  -0.03106005 244 SER   A CA    
2218 C  C     . SER   A 133 ? 0.28478584 0.27873898 0.06014831 0.00706835  0.01083063  -0.03688263 244 SER   A C     
2219 O  O     . SER   A 133 ? 0.27593410 0.27222812 0.04512243 0.00176717  0.01064899  -0.03311364 244 SER   A O     
2220 C  CB    . SER   A 133 ? 0.32009926 0.32710966 0.12582466 0.00680558  -0.00433161 -0.03305831 244 SER   A CB    
2221 O  OG    . SER   A 133 ? 0.34846997 0.35373062 0.11113187 0.01362962  -0.00646888 -0.02404666 244 SER   A OG    
2222 H  H     . SER   A 133 ? 0.28533047 0.30826777 0.05245485 -0.00464553 0.00928410  -0.02616911 244 SER   A H     
2223 H  HA    . SER   A 133 ? 0.29216391 0.30299532 0.07936462 0.00086366  0.01023411  -0.03169025 244 SER   A HA    
2224 H  HB2   . SER   A 133 ? 0.31842467 0.32738826 0.11387351 0.00643332  -0.00053621 -0.03010539 244 SER   A HB2   
2225 H  HB3   . SER   A 133 ? 0.31816715 0.32717490 0.11347625 0.00643472  -0.00048080 -0.03010696 244 SER   A HB3   
2226 H  HG    . SER   A 133 ? 0.29086778 0.29086778 0.29086778 0.00000000  0.00000000  0.00000000  244 SER   A HG    
2227 N  N     . ALA   A 134 ? 0.28345618 0.27298561 0.06281193 0.00665655  0.02423258  -0.03479082 245 ALA   A N     
2228 C  CA    . ALA   A 134 ? 0.28919730 0.27115408 0.04435030 0.00429198  0.02377682  -0.03300637 245 ALA   A CA    
2229 C  C     . ALA   A 134 ? 0.28644758 0.27026176 0.07257559 0.00007746  0.02308444  -0.03510227 245 ALA   A C     
2230 O  O     . ALA   A 134 ? 0.31301254 0.28677773 0.10952761 -0.00475420 0.06037723  -0.05213810 245 ALA   A O     
2231 C  CB    . ALA   A 134 ? 0.31482881 0.27698454 0.06260712 0.00691472  0.01465581  -0.02612168 245 ALA   A CB    
2232 H  H     . ALA   A 134 ? 0.28351143 0.27394420 0.05855186 0.00648952  0.02171806  -0.03516346 245 ALA   A H     
2233 H  HA    . ALA   A 134 ? 0.28797555 0.27176765 0.05378288 0.00494901  0.02475914  -0.03245094 245 ALA   A HA    
2234 H  HB1   . ALA   A 134 ? 0.30939591 0.27659008 0.05784974 0.00631770  0.01672043  -0.02771668 245 ALA   A HB1   
2235 H  HB2   . ALA   A 134 ? 0.31178015 0.27592897 0.05966260 0.00624931  0.01465309  -0.02764123 245 ALA   A HB2   
2236 H  HB3   . ALA   A 134 ? 0.31066540 0.27644339 0.05816905 0.00713225  0.01703276  -0.02772054 245 ALA   A HB3   
2237 N  N     . SER   A 135 ? 0.29178202 0.25912502 0.06464183 0.00143595  0.01567534  -0.03953356 246 SER   A N     
2238 C  CA    . SER   A 135 ? 0.30273607 0.25822017 0.09541205 0.00521200  0.00326636  -0.04914751 246 SER   A CA    
2239 C  C     . SER   A 135 ? 0.30425328 0.25129136 0.10578433 0.01055695  0.00527386  -0.03191503 246 SER   A C     
2240 O  O     . SER   A 135 ? 0.29833063 0.23331645 0.13593009 0.00216773  0.02702190  -0.01662675 246 SER   A O     
2241 C  CB    . SER   A 135 ? 0.30750307 0.27504808 0.15322219 0.01112366  -0.01397846 -0.03732703 246 SER   A CB    
2242 O  OG    . SER   A 135 ? 0.33937219 0.31320685 0.15786485 0.01707168  -0.01704829 -0.03025724 246 SER   A OG    
2243 H  H     . SER   A 135 ? 0.29136536 0.26104540 0.07164998 0.00227811  0.01568757  -0.04042144 246 SER   A H     
2244 H  HA    . SER   A 135 ? 0.30084208 0.25946096 0.09619126 0.00669151  0.00551252  -0.04374300 246 SER   A HA    
2245 H  HB2   . SER   A 135 ? 0.31125644 0.27616611 0.14072582 0.01140084  -0.01015267 -0.03873260 246 SER   A HB2   
2246 H  HB3   . SER   A 135 ? 0.31061816 0.27685666 0.14030829 0.01087744  -0.01001593 -0.03856456 246 SER   A HB3   
2247 H  HG    . SER   A 135 ? 0.29503462 0.29503462 0.29503462 0.00000000  0.00000000  0.00000000  246 SER   A HG    
2248 N  N     . TYR   A 136 ? 0.32509908 0.25420263 0.15716571 0.01832633  0.00000343  -0.04519327 247 TYR   A N     
2249 C  CA    . TYR   A 136 ? 0.33775297 0.25984281 0.20210737 0.01368950  -0.01455187 -0.04119486 247 TYR   A CA    
2250 C  C     . TYR   A 136 ? 0.33931118 0.27425706 0.18154474 0.00761219  -0.03082050 -0.02927213 247 TYR   A C     
2251 O  O     . TYR   A 136 ? 0.34326252 0.28048459 0.20544609 0.00588152  -0.03066226 -0.03717209 247 TYR   A O     
2252 C  CB    . TYR   A 136 ? 0.35418639 0.26014483 0.23221150 0.01756935  -0.03950211 -0.04889924 247 TYR   A CB    
2253 C  CG    . TYR   A 136 ? 0.37546504 0.27826804 0.22531526 0.03334478  -0.06943488 -0.08095628 247 TYR   A CG    
2254 C  CD1   . TYR   A 136 ? 0.41094762 0.29602683 0.25591087 0.04681044  -0.08883520 -0.08661034 247 TYR   A CD1   
2255 C  CD2   . TYR   A 136 ? 0.40018266 0.28986868 0.25683212 0.03444170  -0.06824724 -0.07635171 247 TYR   A CD2   
2256 C  CE1   . TYR   A 136 ? 0.42861813 0.30596048 0.27527258 0.06239045  -0.08970095 -0.11463635 247 TYR   A CE1   
2257 C  CE2   . TYR   A 136 ? 0.41564238 0.34715855 0.24377157 0.04998110  -0.08363304 -0.07778995 247 TYR   A CE2   
2258 C  CZ    . TYR   A 136 ? 0.45511147 0.35469687 0.27895319 0.05647394  -0.09776579 -0.10058946 247 TYR   A CZ    
2259 O  OH    . TYR   A 136 ? 0.54212052 0.42962724 0.28034455 0.08664818  -0.09664057 -0.16707906 247 TYR   A OH    
2260 H  H     . TYR   A 136 ? 0.32161990 0.25488070 0.15244031 0.01585155  -0.00125482 -0.04113245 247 TYR   A H     
2261 H  HA    . TYR   A 136 ? 0.33754808 0.26092359 0.19483696 0.01410349  -0.01781508 -0.04038187 247 TYR   A HA    
2262 H  HB2   . TYR   A 136 ? 0.35352045 0.26172614 0.22455804 0.01873666  -0.03967983 -0.05275796 247 TYR   A HB2   
2263 H  HB3   . TYR   A 136 ? 0.35415196 0.26215824 0.22408856 0.01984569  -0.03969327 -0.05284415 247 TYR   A HB3   
2264 H  HD1   . TYR   A 136 ? 0.40734792 0.29333946 0.25429374 0.04706249  -0.08477083 -0.09019533 247 TYR   A HD1   
2265 H  HD2   . TYR   A 136 ? 0.39887112 0.29308969 0.24886988 0.03871085  -0.06972945 -0.07671291 247 TYR   A HD2   
2266 H  HE1   . TYR   A 136 ? 0.42776775 0.30597889 0.26989120 0.06206348  -0.08795659 -0.10689942 247 TYR   A HE1   
2267 H  HE2   . TYR   A 136 ? 0.41832292 0.34442636 0.25236610 0.05169785  -0.07646786 -0.07608651 247 TYR   A HE2   
2268 H  HH    . TYR   A 136 ? 0.65972751 0.65972751 0.65972751 0.00000000  0.00000000  0.00000000  247 TYR   A HH    
2269 N  N     . THR   A 137 ? 0.36331424 0.26177332 0.17887259 0.00706058  -0.03211851 -0.01846300 248 THR   A N     
2270 C  CA    . THR   A 137 ? 0.38381547 0.27809078 0.15899704 0.01312339  -0.03817274 -0.00636834 248 THR   A CA    
2271 C  C     . THR   A 137 ? 0.39637482 0.27727187 0.11062015 0.01276561  -0.03163816 0.01043855  248 THR   A C     
2272 O  O     . THR   A 137 ? 0.39086148 0.24999879 0.21902053 0.01304754  -0.02898628 0.00234268  248 THR   A O     
2273 C  CB    . THR   A 137 ? 0.40572247 0.30390003 0.17693390 0.00887428  -0.05556110 -0.01093301 248 THR   A CB    
2274 O  OG1   . THR   A 137 ? 0.45065230 0.33173895 0.23556288 0.01702179  -0.07410955 0.00852817  248 THR   A OG1   
2275 C  CG2   . THR   A 137 ? 0.42180672 0.30603915 0.15807977 0.00864158  -0.06515934 -0.03184227 248 THR   A CG2   
2276 H  H     . THR   A 137 ? 0.36233816 0.26730689 0.17574486 0.00825526  -0.03233872 -0.01876090 248 THR   A H     
2277 H  HA    . THR   A 137 ? 0.38387710 0.27847928 0.15799887 0.01185738  -0.03819408 -0.00668879 248 THR   A HA    
2278 H  HB    . THR   A 137 ? 0.40881771 0.30274832 0.17862909 0.00983560  -0.05621774 -0.00982847 248 THR   A HB    
2279 H  HG1   . THR   A 137 ? 0.39340481 0.39340481 0.39340481 0.00000000  0.00000000  0.00000000  248 THR   A HG1   
2280 H  HG21  . THR   A 137 ? 0.41740289 0.30614775 0.15984319 0.00888959  -0.06528689 -0.02753238 248 THR   A HG21  
2281 H  HG22  . THR   A 137 ? 0.41865188 0.30642545 0.16240171 0.00950658  -0.06338370 -0.02709183 248 THR   A HG22  
2282 H  HG23  . THR   A 137 ? 0.41811496 0.30681258 0.16318507 0.00861045  -0.06328940 -0.02757864 248 THR   A HG23  
2283 N  N     A MET   A 138 ? 0.42242688 0.28764734 0.10630181 0.02283636  -0.03459669 0.01929931  249 MET   A N     
2284 N  N     B MET   A 138 ? 0.41997635 0.28638238 0.12133458 0.02035093  -0.03210181 0.01809828  249 MET   A N     
2285 C  CA    A MET   A 138 ? 0.44001260 0.31120244 0.07405513 0.01723455  -0.02948542 0.03372877  249 MET   A CA    
2286 C  CA    B MET   A 138 ? 0.43708053 0.31096357 0.10211171 0.01323546  -0.02532244 0.03122274  249 MET   A CA    
2287 C  C     A MET   A 138 ? 0.45350066 0.33119124 0.08011253 0.01177479  -0.02597417 0.05095983  249 MET   A C     
2288 C  C     B MET   A 138 ? 0.45105794 0.32939327 0.10283238 0.00902346  -0.02606343 0.04691632  249 MET   A C     
2289 O  O     A MET   A 138 ? 0.46382645 0.36397094 0.09534908 0.02096858  -0.02944526 0.06418085  249 MET   A O     
2290 O  O     B MET   A 138 ? 0.46434382 0.36370325 0.11320931 0.00875298  -0.04021946 0.04264162  249 MET   A O     
2291 C  CB    A MET   A 138 ? 0.46159369 0.31914207 0.09307816 0.02849459  -0.03456773 0.02629125  249 MET   A CB    
2292 C  CB    B MET   A 138 ? 0.45628259 0.31842476 0.14218371 0.02242699  -0.02377358 0.02434605  249 MET   A CB    
2293 C  CG    A MET   A 138 ? 0.47903872 0.32948658 0.08967911 0.03270406  -0.03356773 0.01076995  249 MET   A CG    
2294 C  CG    B MET   A 138 ? 0.47508878 0.32413539 0.14723296 0.02585803  -0.01613658 0.01762855  249 MET   A CG    
2295 S  SD    A MET   A 138 ? 0.49714679 0.34886691 0.06503240 0.05147458  -0.02146390 -0.00258598 249 MET   A SD    
2296 S  SD    B MET   A 138 ? 0.48696440 0.34937459 0.18534516 0.04557499  -0.01415554 -0.00207637 249 MET   A SD    
2297 C  CE    A MET   A 138 ? 0.48868957 0.34306985 0.07977691 0.06429578  -0.00601271 -0.00740797 249 MET   A CE    
2298 C  CE    B MET   A 138 ? 0.47348154 0.34244224 0.14102483 0.05590919  0.00665181  0.02622297  249 MET   A CE    
2299 H  H     A MET   A 138 ? 0.41906527 0.28922671 0.10250321 0.01984271  -0.03301588 0.02011492  249 MET   A H     
2300 H  H     B MET   A 138 ? 0.41691232 0.28836608 0.11622793 0.01760527  -0.03077081 0.01885149  249 MET   A H     
2301 H  HA    A MET   A 138 ? 0.44009367 0.31028795 0.08466376 0.01850652  -0.03041989 0.03256838  249 MET   A HA    
2302 H  HA    B MET   A 138 ? 0.43700784 0.30934024 0.11158552 0.01471514  -0.02632404 0.03014056  249 MET   A HA    
2303 H  HB2   A MET   A 138 ? 0.46002063 0.31898603 0.08862208 0.02750393  -0.03311159 0.02534312  249 MET   A HB2   
2304 H  HB2   B MET   A 138 ? 0.45549238 0.31794941 0.13443853 0.02143280  -0.02224788 0.02451077  249 MET   A HB2   
2305 H  HB3   A MET   A 138 ? 0.46073008 0.31929529 0.08869847 0.02764772  -0.03303313 0.02521391  249 MET   A HB3   
2306 H  HB3   B MET   A 138 ? 0.45591506 0.31819040 0.13443232 0.02193040  -0.02249995 0.02444557  249 MET   A HB3   
2307 H  HG2   A MET   A 138 ? 0.47797358 0.32992589 0.08638705 0.03460485  -0.03208686 0.01180174  249 MET   A HG2   
2308 H  HG2   B MET   A 138 ? 0.47242701 0.32557449 0.15174407 0.02780207  -0.01698851 0.01688957  249 MET   A HG2   
2309 H  HG3   A MET   A 138 ? 0.47824630 0.33006740 0.08641928 0.03473624  -0.03212390 0.01183494  249 MET   A HG3   
2310 H  HG3   B MET   A 138 ? 0.47289962 0.32539672 0.15175278 0.02818954  -0.01710584 0.01671226  249 MET   A HG3   
2311 H  HE1   A MET   A 138 ? 0.49054646 0.34436446 0.07852012 0.06201883  -0.00810084 -0.00640539 249 MET   A HE1   
2312 H  HE1   B MET   A 138 ? 0.47280961 0.34222656 0.14620537 0.05387954  0.00432646  0.02116614  249 MET   A HE1   
2313 H  HE2   A MET   A 138 ? 0.49029157 0.34423438 0.07795182 0.06236216  -0.00857566 -0.00614114 249 MET   A HE2   
2314 H  HE2   B MET   A 138 ? 0.47520378 0.34359077 0.14779049 0.05465877  0.00422750  0.02128249  249 MET   A HE2   
2315 H  HE3   A MET   A 138 ? 0.49012271 0.34290916 0.07781382 0.06256709  -0.00847964 -0.00656691 249 MET   A HE3   
2316 H  HE3   B MET   A 138 ? 0.47507602 0.34366548 0.14115022 0.05433768  0.00534672  0.02237515  249 MET   A HE3   
2317 N  N     . ILE   A 139 ? 0.44780427 0.32838213 0.09857749 0.00153663  -0.03075257 0.04847299  250 ILE   A N     
2318 C  CA    . ILE   A 139 ? 0.48348075 0.36676750 0.10940265 -0.00441322 -0.01489216 0.06716596  250 ILE   A CA    
2319 C  C     . ILE   A 139 ? 0.49555099 0.38447165 0.14356922 -0.01940949 -0.01843604 0.07580620  250 ILE   A C     
2320 O  O     . ILE   A 139 ? 0.53665012 0.41715860 0.17590815 -0.04634498 -0.02363364 0.11907746  250 ILE   A O     
2321 C  CB    . ILE   A 139 ? 0.52182090 0.37121058 0.10032178 -0.00226815 0.00719645  0.05732763  250 ILE   A CB    
2322 C  CG1   . ILE   A 139 ? 0.52660626 0.38384920 0.09451308 -0.00179851 0.00892026  0.04584077  250 ILE   A CG1   
2323 C  CG2   . ILE   A 139 ? 0.54566580 0.37603658 0.14601138 -0.02082765 0.02618234  0.02335069  250 ILE   A CG2   
2324 C  CD1   . ILE   A 139 ? 0.53504258 0.39088374 0.12985922 0.00028079  0.01566596  0.06772210  250 ILE   A CD1   
2325 O  OXT   . ILE   A 139 ? 0.50824022 0.39759663 0.16851203 -0.03393219 -0.00184116 0.07733887  250 ILE   A OXT   
2326 H  H     . ILE   A 139 ? 0.45185965 0.33255392 0.09606212 0.00407392  -0.02785742 0.05134789  250 ILE   A H     
2327 H  HA    . ILE   A 139 ? 0.48269227 0.36198598 0.11027155 -0.00423954 -0.01444852 0.06365064  250 ILE   A HA    
2328 H  HB    . ILE   A 139 ? 0.51923132 0.37266883 0.09989843 -0.00489552 0.00754526  0.05326157  250 ILE   A HB    
2329 H  HG12  . ILE   A 139 ? 0.52471983 0.38082355 0.09942174 -0.00176377 0.00924358  0.05261804  250 ILE   A HG12  
2330 H  HG13  . ILE   A 139 ? 0.52668440 0.38294372 0.10159186 -0.00181564 0.00945321  0.05277641  250 ILE   A HG13  
2331 H  HG21  . ILE   A 139 ? 0.54123789 0.37507445 0.13584390 -0.01651629 0.02096281  0.03288392  250 ILE   A HG21  
2332 H  HG22  . ILE   A 139 ? 0.54051399 0.37476760 0.14489976 -0.01585244 0.01951336  0.03075843  250 ILE   A HG22  
2333 H  HG23  . ILE   A 139 ? 0.54269439 0.37478223 0.13653848 -0.01576852 0.02237298  0.03277114  250 ILE   A HG23  
2334 H  HD11  . ILE   A 139 ? 0.53346676 0.38955900 0.12558480 0.00036412  0.01418458  0.06195064  250 ILE   A HD11  
2335 H  HD12  . ILE   A 139 ? 0.53498453 0.38946933 0.12253880 0.00081305  0.01519984  0.06269594  250 ILE   A HD12  
2336 H  HD13  . ILE   A 139 ? 0.53353572 0.38994053 0.12219561 0.00025144  0.01437573  0.06215982  250 ILE   A HD13  
2337 N  N1    . A1H1Y B .   ? 0.38469994 0.33439800 0.03449124 0.04386567  -0.02856564 0.01130816  301 A1H1Y A N1    
2338 N  N3    . A1H1Y B .   ? 0.33405733 0.30849868 0.02643979 0.00802056  0.01593869  -0.01510732 301 A1H1Y A N3    
2339 C  C4    . A1H1Y B .   ? 0.32865533 0.26562774 0.02017597 0.00480777  0.00531084  0.00010229  301 A1H1Y A C4    
2340 C  C5    . A1H1Y B .   ? 0.32684985 0.24877401 0.04542689 0.00166058  0.00672987  0.00429299  301 A1H1Y A C5    
2341 C  C6    . A1H1Y B .   ? 0.36995718 0.30269334 0.04388528 0.03697763  -0.01314829 0.01064089  301 A1H1Y A C6    
2342 C  C7    . A1H1Y B .   ? 0.33429661 0.26358110 0.07715215 -0.01083626 0.01940416  -0.00768680 301 A1H1Y A C7    
2343 C  C8    . A1H1Y B .   ? 0.33287281 0.26455185 0.05893441 -0.00690838 0.01553849  0.00005309  301 A1H1Y A C8    
2344 C  C10   . A1H1Y B .   ? 0.33678460 0.24708633 0.07700299 -0.00807494 0.00740102  -0.01286922 301 A1H1Y A C10   
2345 C  C15   . A1H1Y B .   ? 0.39642033 0.35288215 0.04484434 0.06013085  -0.04051415 0.01197319  301 A1H1Y A C15   
2346 C  C17   . A1H1Y B .   ? 0.39486060 0.35037947 0.05916982 0.06184728  -0.02888646 -0.00145312 301 A1H1Y A C17   
2347 C  C20   . A1H1Y B .   ? 0.38009405 0.36210996 0.01621850 0.03646706  -0.05960759 -0.00723005 301 A1H1Y A C20   
2348 C  C21   . A1H1Y B .   ? 0.37628150 0.37171698 0.01994452 0.03821042  -0.05813701 -0.01285891 301 A1H1Y A C21   
2349 C  C22   . A1H1Y B .   ? 0.41282701 0.40459466 0.01960408 0.01915066  -0.06950482 -0.00610337 301 A1H1Y A C22   
2350 C  C24   . A1H1Y B .   ? 0.41451818 0.40003771 0.02756327 0.03260398  -0.04616354 0.00455551  301 A1H1Y A C24   
2351 C  C1    . A1H1Y B .   ? 0.38435879 0.30073029 0.09806867 -0.00560707 0.01499670  0.03739645  301 A1H1Y A C1    
2352 O  OP3   . A1H1Y B .   ? 0.36419061 0.28763744 0.07249737 0.00798080  0.00948749  0.03408981  301 A1H1Y A OP3   
2353 C  C2    . A1H1Y B .   ? 0.34577662 0.27882594 0.04250725 0.01323731  0.00805406  0.01963357  301 A1H1Y A C2    
2354 C  C3    . A1H1Y B .   ? 0.32838464 0.26951402 0.00694685 0.00698211  0.01076394  0.00460851  301 A1H1Y A C3    
2355 N  N2    . A1H1Y B .   ? 0.31767255 0.27289417 0.01328145 -0.00285353 0.00620748  0.00319029  301 A1H1Y A N2    
2356 N  NAA   . A1H1Y B .   ? 0.33209041 0.29653874 0.03372052 -0.00243222 0.01808958  -0.00744600 301 A1H1Y A NAA   
2357 F  F1    . A1H1Y B .   ? 0.34995234 0.33442655 0.10716813 -0.02328256 0.02314367  -0.01074729 301 A1H1Y A F1    
2358 C  CAA   . A1H1Y B .   ? 0.32799175 0.23718199 0.04516504 0.00225526  0.01356875  0.00534587  301 A1H1Y A CAA   
2359 C  C9    . A1H1Y B .   ? 0.33751720 0.23199420 0.03910127 -0.00589435 0.00328409  0.00975013  301 A1H1Y A C9    
2360 F  F2    . A1H1Y B .   ? 0.37059945 0.25458503 0.03893379 -0.01262030 0.00095055  -0.00222127 301 A1H1Y A F2    
2361 F  F3    . A1H1Y B .   ? 0.35167563 0.30522126 0.11225088 -0.00571709 -0.00029365 -0.00924090 301 A1H1Y A F3    
2362 C  C11   . A1H1Y B .   ? 0.31880152 0.25919679 0.01703831 0.00171597  -0.00272138 0.00817519  301 A1H1Y A C11   
2363 C  C12   . A1H1Y B .   ? 0.34921753 0.28141254 0.02019583 0.02250961  -0.00609088 0.01415438  301 A1H1Y A C12   
2364 C  C14   . A1H1Y B .   ? 0.38882366 0.32919040 0.04301234 0.05228037  -0.03461706 0.01318399  301 A1H1Y A C14   
2365 C  C16   . A1H1Y B .   ? 0.39278096 0.35010695 0.07323695 0.06217572  -0.03346514 0.00607762  301 A1H1Y A C16   
2366 C  "C5'" . A1H1Y B .   ? 0.38543880 0.33569121 0.02086592 0.05704345  -0.02817862 0.00179247  301 A1H1Y A "C5'" 
2367 O  "O5'" . A1H1Y B .   ? 0.39359510 0.33241227 0.00800881 0.05869895  -0.01602894 0.00357535  301 A1H1Y A "O5'" 
2368 C  C19   . A1H1Y B .   ? 0.38665062 0.35938013 0.02922365 0.04268840  -0.04529793 0.00297625  301 A1H1Y A C19   
2369 CL CL1   . A1H1Y B .   ? 0.36544570 0.36385173 0.06535085 0.04164465  -0.02973886 -0.01756454 301 A1H1Y A CL1   
2370 C  C23   . A1H1Y B .   ? 0.44204944 0.40888739 0.08917990 0.02220951  -0.06928456 -0.01649524 301 A1H1Y A C23   
2371 CL CL2   . A1H1Y B .   ? 0.61951804 0.52406871 0.05711478 -0.02605788 -0.01518897 0.05907629  301 A1H1Y A CL2   
2372 O  O6    . A1H1Y B .   ? 0.40181333 0.29482412 0.05622248 0.03324531  -0.01915647 0.02369211  301 A1H1Y A O6    
2373 O  "O2'" . A1H1Y B .   ? 0.33317733 0.26634154 0.01552218 0.01870511  -0.00003632 0.00764619  301 A1H1Y A "O2'" 
2374 C  "C2'" . A1H1Y B .   ? 0.31695563 0.26226166 0.00643355 0.01270489  -0.00302374 -0.00439822 301 A1H1Y A "C2'" 
2375 C  "C3'" . A1H1Y B .   ? 0.30557439 0.25155568 0.01457354 0.01526135  0.00072023  -0.00165707 301 A1H1Y A "C3'" 
2376 O  "O3'" . A1H1Y B .   ? 0.30690587 0.27871233 0.02223093 0.00987224  -0.00317999 -0.00578363 301 A1H1Y A "O3'" 
2377 C  "C1'" . A1H1Y B .   ? 0.31665784 0.25256777 0.00643716 0.01160927  -0.00110732 -0.00501479 301 A1H1Y A "C1'" 
2378 O  "O4'" . A1H1Y B .   ? 0.32847315 0.25126413 0.00648955 0.01568414  -0.00296299 -0.00577223 301 A1H1Y A "O4'" 
2379 H  H6    . A1H1Y B .   ? 0.33188695 0.26147696 0.05902307 -0.00597556 0.01450246  -0.00080548 301 A1H1Y A H6    
2380 H  H12   . A1H1Y B .   ? 0.39450818 0.34830198 0.04991500 0.05975010  -0.03830020 0.01052730  301 A1H1Y A H12   
2381 H  H11   . A1H1Y B .   ? 0.39472178 0.34875911 0.05024417 0.06011607  -0.03834978 0.01036952  301 A1H1Y A H11   
2382 H  H15   . A1H1Y B .   ? 0.39368576 0.34756452 0.05386584 0.06192644  -0.02971315 0.00069152  301 A1H1Y A H15   
2383 H  H16   . A1H1Y B .   ? 0.39336526 0.34791255 0.05479589 0.06205121  -0.02889663 0.00149229  301 A1H1Y A H16   
2384 H  H19   . A1H1Y B .   ? 0.38011786 0.36296287 0.01498259 0.03789051  -0.05555488 -0.00680367 301 A1H1Y A H19   
2385 H  H20   . A1H1Y B .   ? 0.41071483 0.39637780 0.02399014 0.02329879  -0.06827174 -0.01110619 301 A1H1Y A H20   
2386 H  H21   . A1H1Y B .   ? 0.41487661 0.39528137 0.04083955 0.03450830  -0.04841939 0.00205300  301 A1H1Y A H21   
2387 H  H2    . A1H1Y B .   ? 0.38026437 0.29849571 0.09378225 -0.00215067 0.01308432  0.03589754  301 A1H1Y A H2    
2388 H  H3    . A1H1Y B .   ? 0.38229194 0.29801702 0.09271306 -0.00312664 0.01481247  0.03664385  301 A1H1Y A H3    
2389 H  H1    . A1H1Y B .   ? 0.38129649 0.29839230 0.09258568 -0.00332271 0.01245047  0.03773734  301 A1H1Y A H1    
2390 H  H4    . A1H1Y B .   ? 0.34587258 0.27919400 0.04029207 0.01345716  0.00812794  0.02060618  301 A1H1Y A H4    
2391 H  H5    . A1H1Y B .   ? 0.32663637 0.26817733 0.00667076 0.00701342  0.00789249  0.00455335  301 A1H1Y A H5    
2392 H  H7    . A1H1Y B .   ? 0.32844919 0.23885502 0.04385297 0.00020943  0.01113170  0.00593372  301 A1H1Y A H7    
2393 H  H8    . A1H1Y B .   ? 0.32114789 0.26322401 0.01935660 0.00152970  -0.00024371 0.00605284  301 A1H1Y A H8    
2394 H  H9    . A1H1Y B .   ? 0.34834555 0.28110999 0.02169061 0.02244974  -0.00566859 0.01190189  301 A1H1Y A H9    
2395 H  H10   . A1H1Y B .   ? 0.38847089 0.33269686 0.03877064 0.05243340  -0.03291555 0.01127493  301 A1H1Y A H10   
2396 H  H13   . A1H1Y B .   ? 0.39348489 0.35025528 0.06521767 0.06184180  -0.03353430 0.00619664  301 A1H1Y A H13   
2397 H  H14   . A1H1Y B .   ? 0.39339775 0.35031271 0.06520294 0.06186143  -0.03359358 0.00622809  301 A1H1Y A H14   
2398 H  H17   . A1H1Y B .   ? 0.38789022 0.33621317 0.02490805 0.05666791  -0.02727605 0.00308731  301 A1H1Y A H17   
2399 H  H18   . A1H1Y B .   ? 0.23647095 0.23647095 0.23647095 0.00000000  0.00000000  0.00000000  301 A1H1Y A H18   
2400 H  H22   . A1H1Y B .   ? 0.31673270 0.25862324 0.00650155 0.01302280  -0.00446513 -0.00532224 301 A1H1Y A H22   
2401 H  H23   . A1H1Y B .   ? 0.30776569 0.25845340 0.01437916 0.01441602  -0.00039097 -0.00222847 301 A1H1Y A H23   
2402 H  H24   . A1H1Y B .   ? 0.30713364 0.25628680 0.01213099 0.01538762  -0.00045664 -0.00292134 301 A1H1Y A H24   
2403 H  H25   . A1H1Y B .   ? 0.20456746 0.20456746 0.20456746 0.00000000  0.00000000  0.00000000  301 A1H1Y A H25   
2404 H  H26   . A1H1Y B .   ? 0.31951928 0.25448313 0.00639533 0.01251818  0.00027797  -0.00392336 301 A1H1Y A H26   
2405 H  H27   . A1H1Y B .   ? 0.18757084 0.18757084 0.18757084 0.00000000  0.00000000  0.00000000  301 A1H1Y A H27   
2406 S  S     . SCN   C .   ? 0.40328214 0.33027074 0.06808232 0.03230508  0.01198672  0.02282013  302 SCN   A S     
2407 C  C     . SCN   C .   ? 0.42652610 0.35228604 0.13207430 0.01408846  0.01221528  0.05266848  302 SCN   A C     
2408 N  N     . SCN   C .   ? 0.44255853 0.36343148 0.18592732 -0.00224060 0.00633488  0.08826194  302 SCN   A N     
2409 S  S     . SCN   D .   ? 0.47870076 0.41861370 0.23362562 -0.02589786 0.05264763  0.00778112  303 SCN   A S     
2410 C  C     . SCN   D .   ? 0.49033365 0.43780923 0.24207301 0.00180134  0.04893924  0.00722569  303 SCN   A C     
2411 N  N     . SCN   D .   ? 0.48030934 0.44361293 0.22330029 0.01143824  0.02419839  0.01842611  303 SCN   A N     
2412 O  O     . HOH   E .   ? 0.57415718 0.54554927 0.15514401 0.00483304  -0.00055606 -0.11459292 401 HOH   A O     
2413 O  O     . HOH   E .   ? 0.58052963 0.46499544 0.25217625 0.04181717  -0.00586166 0.00044622  402 HOH   A O     
2414 O  O     . HOH   E .   ? 0.58328515 0.38077438 0.27868968 -0.04961554 0.25575548  -0.02698180 403 HOH   A O     
2415 O  O     . HOH   E .   ? 0.44918865 0.35181522 0.51773393 0.10789911  0.08438593  0.02387080  404 HOH   A O     
2416 O  O     . HOH   E .   ? 0.70780033 0.52668977 0.19168945 -0.01089982 0.07892700  -0.01694206 405 HOH   A O     
2417 O  O     . HOH   E .   ? 0.64270270 0.54645956 0.24715914 0.09308052  -0.05864392 -0.17285614 406 HOH   A O     
2418 O  O     . HOH   E .   ? 0.33069643 0.25650787 0.08006581 -0.00565416 0.02186338  -0.00679362 407 HOH   A O     
2419 O  O     . HOH   E .   ? 0.57880008 0.30362260 0.20060612 0.01944595  0.06728310  0.04105449  408 HOH   A O     
2420 O  O     . HOH   E .   ? 0.44908720 0.40759394 0.03595832 0.02955535  0.03416043  -0.05163836 409 HOH   A O     
2421 O  O     . HOH   E .   ? 0.62127596 0.74801505 0.15178393 -0.01472747 0.13485694  -0.03428402 410 HOH   A O     
2422 O  O     . HOH   E .   ? 0.39249891 0.36423790 0.06834555 -0.03622599 0.02557637  0.00457745  411 HOH   A O     
2423 O  O     . HOH   E .   ? 0.40275231 0.27949774 0.21192385 -0.01048781 -0.00363802 0.01818965  412 HOH   A O     
2424 O  O     . HOH   E .   ? 0.37769553 0.41310376 0.03067559 0.01471278  0.02521209  -0.02447267 413 HOH   A O     
2425 O  O     . HOH   E .   ? 0.38862255 0.24255902 0.28207460 -0.00650630 -0.05925515 -0.03510445 414 HOH   A O     
2426 O  O     . HOH   E .   ? 0.32569811 0.36608461 0.05285683 -0.04076874 0.02527266  -0.00223220 415 HOH   A O     
2427 O  O     . HOH   E .   ? 0.39389661 0.48775727 0.07273615 -0.06496382 -0.05095603 -0.00932073 416 HOH   A O     
2428 O  O     . HOH   E .   ? 0.70640445 0.62708199 0.18236771 -0.10688597 -0.04036704 -0.05989426 417 HOH   A O     
2429 O  O     . HOH   E .   ? 0.56578851 0.69927406 0.39923286 0.08801150  0.02256817  -0.17531545 418 HOH   A O     
2430 O  O     . HOH   E .   ? 0.41451710 0.31683567 0.03999899 -0.05420117 -0.00889048 0.02750413  419 HOH   A O     
2431 O  O     . HOH   E .   ? 0.59429669 0.69653130 0.16867504 -0.05971703 0.06780850  -0.01085518 420 HOH   A O     
2432 O  O     . HOH   E .   ? 0.46940431 0.39889130 0.17415717 0.01944198  -0.07347380 -0.04281181 421 HOH   A O     
2433 O  O     . HOH   E .   ? 0.37670806 0.40793061 0.13040735 0.02741774  0.04625086  -0.07887122 422 HOH   A O     
2434 O  O     . HOH   E .   ? 0.43933147 0.47293097 0.08775096 0.06131451  0.01447885  0.03111792  423 HOH   A O     
2435 O  O     . HOH   E .   ? 0.35100022 0.67874050 0.18886636 0.02049386  0.06012526  0.00725995  424 HOH   A O     
2436 O  O     . HOH   E .   ? 0.51187634 0.38436335 0.13253470 0.02030894  0.08330070  -0.03340734 425 HOH   A O     
2437 O  O     . HOH   E .   ? 0.53357720 0.54293466 0.12232361 -0.19827054 -0.03305481 -0.01287629 426 HOH   A O     
2438 O  O     . HOH   E .   ? 0.50952840 0.45468020 0.09402562 0.05751351  0.00931649  -0.04757715 427 HOH   A O     
2439 O  O     . HOH   E .   ? 0.46969661 0.81072497 0.35023218 0.06394100  -0.12796596 -0.16375664 428 HOH   A O     
2440 O  O     . HOH   E .   ? 0.54029417 0.70176834 0.13710602 -0.12718470 0.06463544  -0.00404473 429 HOH   A O     
2441 O  O     . HOH   E .   ? 0.63673347 0.45167300 0.14978130 -0.02995814 0.06797130  -0.03587975 430 HOH   A O     
2442 O  O     . HOH   E .   ? 0.42694715 0.43607464 0.10761318 -0.05612770 -0.01416017 0.08507830  431 HOH   A O     
2443 O  O     . HOH   E .   ? 0.47343338 0.54367936 0.09594273 0.05268894  0.01528819  -0.03755581 432 HOH   A O     
2444 O  O     . HOH   E .   ? 0.58805412 0.62441504 0.37351298 -0.04732865 -0.01028855 0.25860596  433 HOH   A O     
2445 O  O     . HOH   E .   ? 0.69830382 0.47507471 0.35306323 0.06120078  0.21047120  -0.03572191 434 HOH   A O     
2446 O  O     . HOH   E .   ? 0.55577719 0.59110284 0.54306275 -0.24685003 0.26369268  -0.23407874 435 HOH   A O     
2447 O  O     . HOH   E .   ? 0.47263467 0.54454726 0.14134113 -0.01259822 0.03355084  0.02601299  436 HOH   A O     
2448 O  O     . HOH   E .   ? 0.33425796 0.31155878 0.00859401 -0.05612846 0.02606067  -0.01196219 437 HOH   A O     
2449 O  O     . HOH   E .   ? 0.37569660 0.75297052 0.16050670 -0.05841247 0.05736825  -0.03007524 438 HOH   A O     
2450 O  O     . HOH   E .   ? 0.60160363 0.55047131 0.19239680 -0.09700087 -0.03166670 0.09276938  439 HOH   A O     
2451 O  O     . HOH   E .   ? 0.43965256 0.41461533 0.17746319 -0.06915018 0.04890218  -0.00636115 440 HOH   A O     
2452 O  O     . HOH   E .   ? 0.39382073 0.41361335 0.07529375 0.00129683  0.02113337  -0.01124639 441 HOH   A O     
2453 O  O     . HOH   E .   ? 0.52965415 0.28090960 0.21566401 -0.02418913 -0.01552215 0.00481140  442 HOH   A O     
2454 O  O     . HOH   E .   ? 0.38223562 0.28396446 0.01852288 -0.03384363 0.01462366  0.02518930  443 HOH   A O     
2455 O  O     . HOH   E .   ? 0.46157661 0.38944271 0.20664687 -0.07913482 0.08718300  -0.08735852 444 HOH   A O     
2456 O  O     . HOH   E .   ? 0.56984282 0.55895561 0.18106709 0.03788957  -0.12023860 -0.03990289 445 HOH   A O     
2457 O  O     . HOH   E .   ? 0.35879555 0.29077047 0.04261004 0.00680329  -0.01754913 0.01209247  446 HOH   A O     
2458 O  O     . HOH   E .   ? 0.56057692 0.58649367 0.36753911 -0.08683105 0.11220895  0.05763172  447 HOH   A O     
2459 O  O     . HOH   E .   ? 0.84759015 0.36196378 0.27928129 0.03829696  0.11896546  0.04369769  448 HOH   A O     
2460 O  O     . HOH   E .   ? 0.40624240 0.35896003 0.09690236 0.04765899  -0.00877171 -0.00485903 449 HOH   A O     
2461 O  O     . HOH   E .   ? 0.38582066 0.33803773 0.05784452 0.02772868  0.01197147  -0.00450981 450 HOH   A O     
2462 O  O     . HOH   E .   ? 0.44068813 0.47995836 0.11348354 0.03679827  -0.06937221 -0.06105449 451 HOH   A O     
2463 O  O     . HOH   E .   ? 0.41881526 0.44110483 0.27130815 -0.02375516 0.01131667  0.06024411  452 HOH   A O     
2464 O  O     . HOH   E .   ? 0.32714802 0.29589593 0.02115619 0.01281288  0.02588291  0.02842437  453 HOH   A O     
2465 O  O     . HOH   E .   ? 0.42450222 0.62013572 0.57451922 -0.03144825 -0.05023196 0.13412969  454 HOH   A O     
2466 O  O     . HOH   E .   ? 0.49708700 0.38724798 0.13941647 0.03459964  -0.00332367 -0.05816200 455 HOH   A O     
2467 O  O     . HOH   E .   ? 0.33722937 0.27480322 0.00721685 -0.04963543 0.01233049  0.00868045  456 HOH   A O     
2468 O  O     . HOH   E .   ? 0.93030375 0.42543283 0.23619136 0.08092163  0.06826735  0.07247219  457 HOH   A O     
2469 O  O     . HOH   E .   ? 0.38107172 0.31112835 0.11419989 -0.00502080 0.05931851  -0.03154266 458 HOH   A O     
2470 O  O     . HOH   E .   ? 0.56229258 0.44942224 0.08384246 -0.00012124 0.05078062  -0.02949765 459 HOH   A O     
2471 O  O     . HOH   E .   ? 0.33545738 0.33430570 0.07670487 0.02834226  -0.01371673 -0.02784470 460 HOH   A O     
2472 O  O     . HOH   E .   ? 0.62826425 0.52509862 0.38364276 0.01416109  -0.07249200 -0.01045502 461 HOH   A O     
2473 O  O     . HOH   E .   ? 0.41371745 0.42500895 0.44703126 0.07301600  -0.07159506 0.04109351  462 HOH   A O     
2474 O  O     . HOH   E .   ? 0.61524856 0.53869271 0.17062412 -0.23968807 0.12200566  -0.04141778 463 HOH   A O     
2475 O  O     . HOH   E .   ? 0.60322523 0.50017357 0.43616048 -0.08243454 0.29801297  -0.12910418 464 HOH   A O     
2476 O  O     . HOH   E .   ? 0.32588595 0.26730669 0.00995591 0.00633390  -0.00474075 -0.03053727 465 HOH   A O     
2477 O  O     . HOH   E .   ? 0.52883351 0.43802315 0.08719237 0.06498820  0.00439505  0.01628970  466 HOH   A O     
2478 O  O     . HOH   E .   ? 0.52890599 0.40715849 0.44783887 -0.06323352 0.29751933  -0.15943065 467 HOH   A O     
2479 O  O     . HOH   E .   ? 0.49425352 0.52929026 0.38165450 -0.02746537 0.06822513  -0.15694816 468 HOH   A O     
2480 O  O     . HOH   E .   ? 0.47188377 0.45908472 0.20023070 -0.03250837 -0.04148122 0.16436161  469 HOH   A O     
2481 O  O     . HOH   E .   ? 0.60320991 0.43088818 0.30038089 0.07413125  -0.10143109 -0.00444592 470 HOH   A O     
2482 O  O     . HOH   E .   ? 0.75221819 0.36644664 0.16973491 -0.00272201 -0.14419793 -0.03458513 471 HOH   A O     
2483 O  O     . HOH   E .   ? 0.41738418 0.30906221 0.03989843 0.02527799  0.04880985  -0.01019553 472 HOH   A O     
2484 O  O     . HOH   E .   ? 0.50262821 0.68328905 0.18674116 -0.04731785 0.10744820  0.03377716  473 HOH   A O     
2485 O  O     . HOH   E .   ? 0.40782529 0.30329570 0.15563342 0.01376273  -0.07460061 -0.02926992 474 HOH   A O     
2486 O  O     . HOH   E .   ? 0.94882673 0.61284018 0.55689681 -0.06092690 -0.03916978 0.11829834  475 HOH   A O     
2487 O  O     . HOH   E .   ? 0.58798116 0.63377059 0.13912913 -0.03257221 0.02355948  -0.08227429 476 HOH   A O     
2488 O  O     . HOH   E .   ? 0.69387144 0.52078038 0.05578449 0.03684748  0.07172681  -0.01051615 477 HOH   A O     
2489 O  O     . HOH   E .   ? 0.36796248 0.43842340 0.13482869 -0.05462983 0.04816704  -0.03470867 478 HOH   A O     
2490 O  O     . HOH   E .   ? 0.47287878 0.57734823 0.14032234 -0.09555329 -0.03938107 0.15872955  479 HOH   A O     
2491 O  O     . HOH   E .   ? 0.44542557 0.41299742 0.01020759 0.09555146  -0.03856561 -0.02211176 480 HOH   A O     
2492 O  O     . HOH   E .   ? 0.53123236 0.59039629 0.30828997 -0.02544543 0.11092892  -0.23952505 481 HOH   A O     
2493 O  O     . HOH   E .   ? 0.52269566 0.33237034 0.04686244 0.01853628  0.04424493  -0.00083532 482 HOH   A O     
2494 O  O     . HOH   E .   ? 0.52681649 0.56864941 0.31631729 -0.01605229 0.00338141  -0.04232721 483 HOH   A O     
2495 O  O     . HOH   E .   ? 0.39736131 0.53990602 0.11301646 0.00020522  0.02724018  -0.10455216 484 HOH   A O     
2496 O  O     . HOH   E .   ? 0.35800788 0.47216570 0.13475764 -0.00210842 -0.02689960 -0.00098965 485 HOH   A O     
2497 O  O     . HOH   E .   ? 0.57070404 0.35418236 0.19468863 -0.07283425 -0.08618702 -0.01897559 486 HOH   A O     
2498 O  O     . HOH   E .   ? 0.74533999 0.77470160 0.42943853 -0.01639564 0.03407986  0.10720029  487 HOH   A O     
2499 O  O     . HOH   E .   ? 0.34262079 0.49230346 0.07655721 0.01062802  0.03191421  -0.02530813 488 HOH   A O     
2500 O  O     . HOH   E .   ? 0.54085279 0.38859046 0.10016113 0.03428312  0.01089780  0.08400001  489 HOH   A O     
2501 O  O     . HOH   E .   ? 0.45675191 0.42097887 0.55934644 0.14133048  -0.03174475 -0.20815425 490 HOH   A O     
2502 O  O     . HOH   E .   ? 0.62791938 0.44823313 0.21600653 0.10359681  0.01153081  0.01915057  491 HOH   A O     
2503 O  O     . HOH   E .   ? 0.47136927 0.38936609 0.08686788 -0.03603902 0.08482958  -0.04463855 492 HOH   A O     
2504 O  O     . HOH   E .   ? 0.52794546 0.60453176 0.29470599 0.13873668  -0.01887051 -0.08243187 493 HOH   A O     
2505 O  O     . HOH   E .   ? 0.34063327 0.42310068 0.28353226 0.00025981  0.01417177  -0.12717001 494 HOH   A O     
2506 O  O     . HOH   E .   ? 0.53806114 0.61522126 0.29617339 0.03165019  -0.01648386 -0.00714332 495 HOH   A O     
2507 O  O     . HOH   E .   ? 0.53564811 0.54364479 0.25746346 0.01118645  -0.03000787 -0.11514748 496 HOH   A O     
2508 O  O     . HOH   E .   ? 0.66750467 0.35260138 0.07819223 -0.02385994 -0.05046015 -0.01849113 497 HOH   A O     
2509 O  O     . HOH   E .   ? 0.57347238 0.39158019 0.11655632 -0.02046042 0.06435943  0.03642223  498 HOH   A O     
2510 O  O     . HOH   E .   ? 0.57473367 0.36520845 0.28188682 -0.02616933 0.06413326  0.05545654  499 HOH   A O     
2511 O  O     . HOH   E .   ? 0.61909074 0.47411382 0.17238469 0.02737833  0.02098007  0.01972719  500 HOH   A O     
2512 O  O     . HOH   E .   ? 0.31780678 0.32389626 0.07456929 -0.00725880 -0.02302788 0.00756916  501 HOH   A O     
2513 O  O     . HOH   E .   ? 0.43438566 0.45656526 0.13849777 -0.07202466 0.02638048  0.01585004  502 HOH   A O     
2514 O  O     . HOH   E .   ? 0.80347520 0.37090003 0.49467123 -0.01067318 0.37005973  -0.07410297 503 HOH   A O     
2515 O  O     . HOH   E .   ? 0.53728080 0.54506564 0.18810853 -0.15581189 -0.10363619 0.10094145  504 HOH   A O     
2516 O  O     . HOH   E .   ? 0.69682384 0.66641545 0.14652413 -0.05091733 -0.05012034 0.02845638  505 HOH   A O     
2517 O  O     . HOH   E .   ? 0.59856743 0.37738237 0.24833532 -0.01735331 -0.16017917 0.01066948  506 HOH   A O     
2518 O  O     . HOH   E .   ? 0.61460161 0.46119580 0.41911322 0.01815819  0.16171594  -0.04983062 507 HOH   A O     
2519 O  O     . HOH   E .   ? 0.57030100 0.63305366 0.60340470 -0.00383635 -0.14459839 0.25410289  508 HOH   A O     
2520 O  O     . HOH   E .   ? 0.59516305 0.55306304 0.13816826 0.12895121  0.05368327  0.06947591  509 HOH   A O     
2521 O  O     . HOH   E .   ? 0.67162710 0.59141624 0.18239734 -0.12443429 0.04007410  0.04435670  510 HOH   A O     
2522 O  O     . HOH   E .   ? 0.55439883 0.73807198 0.49906868 0.06375508  0.11966322  0.18318957  511 HOH   A O     
2523 O  O     . HOH   E .   ? 0.39275569 0.42262074 0.12292627 0.00967268  -0.02168977 0.03353795  512 HOH   A O     
2524 O  O     . HOH   E .   ? 0.81130683 0.59882724 0.51014358 0.08584614  0.02986471  0.17008753  513 HOH   A O     
2525 O  O     . HOH   E .   ? 0.50139642 0.40492272 0.07228279 0.06728768  0.02318085  -0.01509535 514 HOH   A O     
2526 O  O     . HOH   E .   ? 0.61042809 0.36488587 0.08677108 -0.16266870 0.01905678  -0.01993201 515 HOH   A O     
2527 O  O     . HOH   E .   ? 0.87829304 0.41686115 0.24499018 0.02049633  0.07231175  0.14298950  516 HOH   A O     
2528 O  O     . HOH   E .   ? 0.63987392 1.03895020 0.41660935 -0.16162187 -0.03004748 -0.26267761 517 HOH   A O     
2529 O  O     . HOH   E .   ? 0.51243979 0.43578973 0.93692154 0.03627583  0.17779326  -0.12759821 518 HOH   A O     
2530 O  O     . HOH   E .   ? 0.45653063 0.31584379 0.26083690 -0.01152832 -0.15538555 -0.06661768 519 HOH   A O     
2531 O  O     . HOH   E .   ? 0.48141980 0.64048076 0.14972344 -0.02578363 -0.06166460 -0.08343846 520 HOH   A O     
2532 O  O     . HOH   E .   ? 0.79272938 0.37901831 0.41871592 0.07808582  0.12465914  0.11972374  521 HOH   A O     
# 
