data_9E5F
# 
_entry.id   9E5F 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.401 
_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   9E5F         pdb_00009e5f 10.2210/pdb9e5f/pdb 
WWPDB D_1000289488 ?            ?                   
# 
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 
1 'Structure model' 1 0 2025-01-22 
2 'Structure model' 1 1 2025-02-05 
# 
_pdbx_audit_revision_details.ordinal             1 
_pdbx_audit_revision_details.revision_ordinal    1 
_pdbx_audit_revision_details.data_content_type   'Structure model' 
_pdbx_audit_revision_details.provider            repository 
_pdbx_audit_revision_details.type                'Initial release' 
_pdbx_audit_revision_details.description         ? 
_pdbx_audit_revision_details.details             ? 
# 
_pdbx_audit_revision_group.ordinal             1 
_pdbx_audit_revision_group.revision_ordinal    2 
_pdbx_audit_revision_group.data_content_type   'Structure model' 
_pdbx_audit_revision_group.group               'Database references' 
# 
loop_
_pdbx_audit_revision_category.ordinal 
_pdbx_audit_revision_category.revision_ordinal 
_pdbx_audit_revision_category.data_content_type 
_pdbx_audit_revision_category.category 
1 2 'Structure model' citation        
2 2 'Structure model' citation_author 
# 
loop_
_pdbx_audit_revision_item.ordinal 
_pdbx_audit_revision_item.revision_ordinal 
_pdbx_audit_revision_item.data_content_type 
_pdbx_audit_revision_item.item 
1 2 'Structure model' '_citation.journal_volume'          
2 2 'Structure model' '_citation.page_first'              
3 2 'Structure model' '_citation.page_last'               
4 2 '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                        9E5F 
_pdbx_database_status.recvd_initial_deposition_date   2024-10-28 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_database_related.db_name        PDB 
_pdbx_database_related.details        . 
_pdbx_database_related.db_id          9E5D 
_pdbx_database_related.content_type   unspecified 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              mdeller@incyte.com 
_pdbx_contact_author.name_first         Deller 
_pdbx_contact_author.name_last          Marc 
_pdbx_contact_author.name_mi            C. 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-8070-6502 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Deller, M.C.' 1 0000-0001-8070-6502 
'Epling, L.B.' 2 0000-0003-4897-1300 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   US 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            J.Med.Chem. 
_citation.journal_id_ASTM           JMCMAR 
_citation.journal_id_CSD            0151 
_citation.journal_id_ISSN           0022-2623 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            68 
_citation.language                  ? 
_citation.page_first                1924 
_citation.page_last                 1939 
_citation.title                     'Discovery of INCB159020, an Orally Bioavailable KRAS G12D Inhibitor.' 
_citation.year                      2025 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      10.1021/acs.jmedchem.4c02662 
_citation.pdbx_database_id_PubMed   39772605 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Ye, Q.'               1  ? 
primary 'Shvartsbart, A.'      2  ? 
primary 'Li, Z.'               3  ? 
primary 'Gan, P.'              4  ? 
primary 'Policarpo, R.L.'      5  ? 
primary 'Qi, C.'               6  ? 
primary 'Roach, J.J.'          7  ? 
primary 'Zhu, W.'              8  ? 
primary 'McCammant, M.S.'      9  ? 
primary 'Hu, B.'               10 ? 
primary 'Li, G.'               11 ? 
primary 'Yin, H.'              12 ? 
primary 'Carlsen, P.'          13 ? 
primary 'Hoang, G.'            14 ? 
primary 'Zhao, L.'             15 ? 
primary 'Susick, R.'           16 ? 
primary 'Zhang, F.'            17 ? 
primary 'Lai, C.T.'            18 ? 
primary 'Allali Hassani, A.'   19 ? 
primary 'Epling, L.B.'         20 ? 
primary 'Gallion, A.'          21 ? 
primary 'Kurzeja-Lipinski, K.' 22 ? 
primary 'Gallagher, K.'        23 ? 
primary 'Roman, V.'            24 ? 
primary 'Farren, M.R.'         25 ? 
primary 'Kong, W.'             26 ? 
primary 'Deller, M.C.'         27 ? 
primary 'Zhang, G.'            28 ? 
primary 'Covington, M.'        29 ? 
primary 'Diamond, S.'          30 ? 
primary 'Kim, S.'              31 ? 
primary 'Yao, W.'              32 ? 
primary 'Sokolsky, A.'         33 ? 
primary 'Wang, X.'             34 ? 
# 
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 'GTPase KRas' 19386.848 1   3.6.5.2 G12D 'residues 1-169' ? 
2 non-polymer syn "GUANOSINE-5'-DIPHOSPHATE" 443.201   1   ?       ?    ?                ? 
3 non-polymer syn 
;(4P)-4-{1-[(1R,4R,5S)-2-azabicyclo[2.1.1]hexan-5-yl]-8-chloro-4-[3-(dimethylamino)azetidin-1-yl]-6-fluoro-1H-imidazo[4,5-c]quinolin-7-yl}naphthalen-2-ol
;
543.034   1   ?       ?    ?                ? 
4 non-polymer syn 'MAGNESIUM ION' 24.305    1   ?       ?    ?                ? 
5 water       nat water 18.015    156 ?       ?    ?                ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'K-Ras 2,Ki-Ras,c-K-ras,c-Ki-ras' 
# 
_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       
;GMTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFL
CVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTL
VREIRKHKEK
;
_entity_poly.pdbx_seq_one_letter_code_can   
;GMTEYKLVVVGADGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFL
CVFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTL
VREIRKHKEK
;
_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 "GUANOSINE-5'-DIPHOSPHATE" GDP   
3 
;(4P)-4-{1-[(1R,4R,5S)-2-azabicyclo[2.1.1]hexan-5-yl]-8-chloro-4-[3-(dimethylamino)azetidin-1-yl]-6-fluoro-1H-imidazo[4,5-c]quinolin-7-yl}naphthalen-2-ol
;
A1BEJ 
4 'MAGNESIUM ION' MG    
5 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   GLY n 
1 2   MET n 
1 3   THR n 
1 4   GLU n 
1 5   TYR n 
1 6   LYS n 
1 7   LEU n 
1 8   VAL n 
1 9   VAL n 
1 10  VAL n 
1 11  GLY n 
1 12  ALA n 
1 13  ASP n 
1 14  GLY n 
1 15  VAL n 
1 16  GLY n 
1 17  LYS n 
1 18  SER n 
1 19  ALA n 
1 20  LEU n 
1 21  THR n 
1 22  ILE n 
1 23  GLN n 
1 24  LEU n 
1 25  ILE n 
1 26  GLN n 
1 27  ASN n 
1 28  HIS n 
1 29  PHE n 
1 30  VAL n 
1 31  ASP n 
1 32  GLU n 
1 33  TYR n 
1 34  ASP n 
1 35  PRO n 
1 36  THR n 
1 37  ILE n 
1 38  GLU n 
1 39  ASP n 
1 40  SER n 
1 41  TYR n 
1 42  ARG n 
1 43  LYS n 
1 44  GLN n 
1 45  VAL n 
1 46  VAL n 
1 47  ILE n 
1 48  ASP n 
1 49  GLY n 
1 50  GLU n 
1 51  THR n 
1 52  CYS n 
1 53  LEU n 
1 54  LEU n 
1 55  ASP n 
1 56  ILE n 
1 57  LEU n 
1 58  ASP n 
1 59  THR n 
1 60  ALA n 
1 61  GLY n 
1 62  GLN n 
1 63  GLU n 
1 64  GLU n 
1 65  TYR n 
1 66  SER n 
1 67  ALA n 
1 68  MET n 
1 69  ARG n 
1 70  ASP n 
1 71  GLN n 
1 72  TYR n 
1 73  MET n 
1 74  ARG n 
1 75  THR n 
1 76  GLY n 
1 77  GLU n 
1 78  GLY n 
1 79  PHE n 
1 80  LEU n 
1 81  CYS n 
1 82  VAL n 
1 83  PHE n 
1 84  ALA n 
1 85  ILE n 
1 86  ASN n 
1 87  ASN n 
1 88  THR n 
1 89  LYS n 
1 90  SER n 
1 91  PHE n 
1 92  GLU n 
1 93  ASP n 
1 94  ILE n 
1 95  HIS n 
1 96  HIS n 
1 97  TYR n 
1 98  ARG n 
1 99  GLU n 
1 100 GLN n 
1 101 ILE n 
1 102 LYS n 
1 103 ARG n 
1 104 VAL n 
1 105 LYS n 
1 106 ASP n 
1 107 SER n 
1 108 GLU n 
1 109 ASP n 
1 110 VAL n 
1 111 PRO n 
1 112 MET n 
1 113 VAL n 
1 114 LEU n 
1 115 VAL n 
1 116 GLY n 
1 117 ASN n 
1 118 LYS n 
1 119 CYS n 
1 120 ASP n 
1 121 LEU n 
1 122 PRO n 
1 123 SER n 
1 124 ARG n 
1 125 THR n 
1 126 VAL n 
1 127 ASP n 
1 128 THR n 
1 129 LYS n 
1 130 GLN n 
1 131 ALA n 
1 132 GLN n 
1 133 ASP n 
1 134 LEU n 
1 135 ALA n 
1 136 ARG n 
1 137 SER n 
1 138 TYR n 
1 139 GLY n 
1 140 ILE n 
1 141 PRO n 
1 142 PHE n 
1 143 ILE n 
1 144 GLU n 
1 145 THR n 
1 146 SER n 
1 147 ALA n 
1 148 LYS n 
1 149 THR n 
1 150 ARG n 
1 151 GLN n 
1 152 GLY n 
1 153 VAL n 
1 154 ASP n 
1 155 ASP n 
1 156 ALA n 
1 157 PHE n 
1 158 TYR n 
1 159 THR n 
1 160 LEU n 
1 161 VAL n 
1 162 ARG n 
1 163 GLU n 
1 164 ILE n 
1 165 ARG n 
1 166 LYS n 
1 167 HIS n 
1 168 LYS n 
1 169 GLU n 
1 170 LYS 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                   170 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'KRAS, KRAS2, RASK2' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli BL21(DE3)' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     469008 
_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          pET3a+ 
_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 
A1BEJ non-polymer         . 
;(4P)-4-{1-[(1R,4R,5S)-2-azabicyclo[2.1.1]hexan-5-yl]-8-chloro-4-[3-(dimethylamino)azetidin-1-yl]-6-fluoro-1H-imidazo[4,5-c]quinolin-7-yl}naphthalen-2-ol
;
? 'C30 H28 Cl F N6 O' 543.034 
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 
GDP   'RNA linking'       n "GUANOSINE-5'-DIPHOSPHATE" ? 'C10 H15 N5 O11 P2' 443.201 
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 
MG    non-polymer         . 'MAGNESIUM ION' ? 'Mg 2'              24.305  
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'       165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'        115.130 
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'        105.093 
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'        119.119 
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   GLY 1   0   0   GLY GLY A . n 
A 1 2   MET 2   1   1   MET MET A . n 
A 1 3   THR 3   2   2   THR THR A . n 
A 1 4   GLU 4   3   3   GLU GLU A . n 
A 1 5   TYR 5   4   4   TYR TYR A . n 
A 1 6   LYS 6   5   5   LYS LYS A . n 
A 1 7   LEU 7   6   6   LEU LEU A . n 
A 1 8   VAL 8   7   7   VAL VAL A . n 
A 1 9   VAL 9   8   8   VAL VAL A . n 
A 1 10  VAL 10  9   9   VAL VAL A . n 
A 1 11  GLY 11  10  10  GLY GLY A . n 
A 1 12  ALA 12  11  11  ALA ALA A . n 
A 1 13  ASP 13  12  12  ASP ASP A . n 
A 1 14  GLY 14  13  13  GLY GLY A . n 
A 1 15  VAL 15  14  14  VAL VAL A . n 
A 1 16  GLY 16  15  15  GLY GLY A . n 
A 1 17  LYS 17  16  16  LYS LYS A . n 
A 1 18  SER 18  17  17  SER SER A . n 
A 1 19  ALA 19  18  18  ALA ALA A . n 
A 1 20  LEU 20  19  19  LEU LEU A . n 
A 1 21  THR 21  20  20  THR THR A . n 
A 1 22  ILE 22  21  21  ILE ILE A . n 
A 1 23  GLN 23  22  22  GLN GLN A . n 
A 1 24  LEU 24  23  23  LEU LEU A . n 
A 1 25  ILE 25  24  24  ILE ILE A . n 
A 1 26  GLN 26  25  25  GLN GLN A . n 
A 1 27  ASN 27  26  26  ASN ASN A . n 
A 1 28  HIS 28  27  27  HIS HIS A . n 
A 1 29  PHE 29  28  28  PHE PHE A . n 
A 1 30  VAL 30  29  29  VAL VAL A . n 
A 1 31  ASP 31  30  30  ASP ASP A . n 
A 1 32  GLU 32  31  31  GLU GLU A . n 
A 1 33  TYR 33  32  32  TYR TYR A . n 
A 1 34  ASP 34  33  33  ASP ASP A . n 
A 1 35  PRO 35  34  34  PRO PRO A . n 
A 1 36  THR 36  35  35  THR THR A . n 
A 1 37  ILE 37  36  36  ILE ILE A . n 
A 1 38  GLU 38  37  37  GLU GLU A . n 
A 1 39  ASP 39  38  38  ASP ASP A . n 
A 1 40  SER 40  39  39  SER SER A . n 
A 1 41  TYR 41  40  40  TYR TYR A . n 
A 1 42  ARG 42  41  41  ARG ARG A . n 
A 1 43  LYS 43  42  42  LYS LYS A . n 
A 1 44  GLN 44  43  43  GLN GLN A . n 
A 1 45  VAL 45  44  44  VAL VAL A . n 
A 1 46  VAL 46  45  45  VAL VAL A . n 
A 1 47  ILE 47  46  46  ILE ILE A . n 
A 1 48  ASP 48  47  47  ASP ASP A . n 
A 1 49  GLY 49  48  48  GLY GLY A . n 
A 1 50  GLU 50  49  49  GLU GLU A . n 
A 1 51  THR 51  50  50  THR THR A . n 
A 1 52  CYS 52  51  51  CYS CYS A . n 
A 1 53  LEU 53  52  52  LEU LEU A . n 
A 1 54  LEU 54  53  53  LEU LEU A . n 
A 1 55  ASP 55  54  54  ASP ASP A . n 
A 1 56  ILE 56  55  55  ILE ILE A . n 
A 1 57  LEU 57  56  56  LEU LEU A . n 
A 1 58  ASP 58  57  57  ASP ASP A . n 
A 1 59  THR 59  58  58  THR THR A . n 
A 1 60  ALA 60  59  59  ALA ALA A . n 
A 1 61  GLY 61  60  60  GLY GLY A . n 
A 1 62  GLN 62  61  61  GLN GLN A . n 
A 1 63  GLU 63  62  62  GLU GLU A . n 
A 1 64  GLU 64  63  63  GLU GLU A . n 
A 1 65  TYR 65  64  64  TYR TYR A . n 
A 1 66  SER 66  65  65  SER SER A . n 
A 1 67  ALA 67  66  66  ALA ALA A . n 
A 1 68  MET 68  67  67  MET MET A . n 
A 1 69  ARG 69  68  68  ARG ARG A . n 
A 1 70  ASP 70  69  69  ASP ASP A . n 
A 1 71  GLN 71  70  70  GLN GLN A . n 
A 1 72  TYR 72  71  71  TYR TYR A . n 
A 1 73  MET 73  72  72  MET MET A . n 
A 1 74  ARG 74  73  73  ARG ARG A . n 
A 1 75  THR 75  74  74  THR THR A . n 
A 1 76  GLY 76  75  75  GLY GLY A . n 
A 1 77  GLU 77  76  76  GLU GLU A . n 
A 1 78  GLY 78  77  77  GLY GLY A . n 
A 1 79  PHE 79  78  78  PHE PHE A . n 
A 1 80  LEU 80  79  79  LEU LEU A . n 
A 1 81  CYS 81  80  80  CYS CYS A . n 
A 1 82  VAL 82  81  81  VAL VAL A . n 
A 1 83  PHE 83  82  82  PHE PHE A . n 
A 1 84  ALA 84  83  83  ALA ALA A . n 
A 1 85  ILE 85  84  84  ILE ILE A . n 
A 1 86  ASN 86  85  85  ASN ASN A . n 
A 1 87  ASN 87  86  86  ASN ASN A . n 
A 1 88  THR 88  87  87  THR THR A . n 
A 1 89  LYS 89  88  88  LYS LYS A . n 
A 1 90  SER 90  89  89  SER SER A . n 
A 1 91  PHE 91  90  90  PHE PHE A . n 
A 1 92  GLU 92  91  91  GLU GLU A . n 
A 1 93  ASP 93  92  92  ASP ASP A . n 
A 1 94  ILE 94  93  93  ILE ILE A . n 
A 1 95  HIS 95  94  94  HIS HIS A . n 
A 1 96  HIS 96  95  95  HIS HIS A . n 
A 1 97  TYR 97  96  96  TYR TYR A . n 
A 1 98  ARG 98  97  97  ARG ARG A . n 
A 1 99  GLU 99  98  98  GLU GLU A . n 
A 1 100 GLN 100 99  99  GLN GLN A . n 
A 1 101 ILE 101 100 100 ILE ILE A . n 
A 1 102 LYS 102 101 101 LYS LYS A . n 
A 1 103 ARG 103 102 102 ARG ARG A . n 
A 1 104 VAL 104 103 103 VAL VAL A . n 
A 1 105 LYS 105 104 104 LYS LYS A . n 
A 1 106 ASP 106 105 105 ASP ASP A . n 
A 1 107 SER 107 106 106 SER SER A . n 
A 1 108 GLU 108 107 107 GLU GLU A . n 
A 1 109 ASP 109 108 108 ASP ASP A . n 
A 1 110 VAL 110 109 109 VAL VAL A . n 
A 1 111 PRO 111 110 110 PRO PRO A . n 
A 1 112 MET 112 111 111 MET MET A . n 
A 1 113 VAL 113 112 112 VAL VAL A . n 
A 1 114 LEU 114 113 113 LEU LEU A . n 
A 1 115 VAL 115 114 114 VAL VAL A . n 
A 1 116 GLY 116 115 115 GLY GLY A . n 
A 1 117 ASN 117 116 116 ASN ASN A . n 
A 1 118 LYS 118 117 117 LYS LYS A . n 
A 1 119 CYS 119 118 118 CYS CYS A . n 
A 1 120 ASP 120 119 119 ASP ASP A . n 
A 1 121 LEU 121 120 120 LEU LEU A . n 
A 1 122 PRO 122 121 121 PRO PRO A . n 
A 1 123 SER 123 122 122 SER SER A . n 
A 1 124 ARG 124 123 123 ARG ARG A . n 
A 1 125 THR 125 124 124 THR THR A . n 
A 1 126 VAL 126 125 125 VAL VAL A . n 
A 1 127 ASP 127 126 126 ASP ASP A . n 
A 1 128 THR 128 127 127 THR THR A . n 
A 1 129 LYS 129 128 128 LYS LYS A . n 
A 1 130 GLN 130 129 129 GLN GLN A . n 
A 1 131 ALA 131 130 130 ALA ALA A . n 
A 1 132 GLN 132 131 131 GLN GLN A . n 
A 1 133 ASP 133 132 132 ASP ASP A . n 
A 1 134 LEU 134 133 133 LEU LEU A . n 
A 1 135 ALA 135 134 134 ALA ALA A . n 
A 1 136 ARG 136 135 135 ARG ARG A . n 
A 1 137 SER 137 136 136 SER SER A . n 
A 1 138 TYR 138 137 137 TYR TYR A . n 
A 1 139 GLY 139 138 138 GLY GLY A . n 
A 1 140 ILE 140 139 139 ILE ILE A . n 
A 1 141 PRO 141 140 140 PRO PRO A . n 
A 1 142 PHE 142 141 141 PHE PHE A . n 
A 1 143 ILE 143 142 142 ILE ILE A . n 
A 1 144 GLU 144 143 143 GLU GLU A . n 
A 1 145 THR 145 144 144 THR THR A . n 
A 1 146 SER 146 145 145 SER SER A . n 
A 1 147 ALA 147 146 146 ALA ALA A . n 
A 1 148 LYS 148 147 147 LYS LYS A . n 
A 1 149 THR 149 148 148 THR THR A . n 
A 1 150 ARG 150 149 149 ARG ARG A . n 
A 1 151 GLN 151 150 150 GLN GLN A . n 
A 1 152 GLY 152 151 151 GLY GLY A . n 
A 1 153 VAL 153 152 152 VAL VAL A . n 
A 1 154 ASP 154 153 153 ASP ASP A . n 
A 1 155 ASP 155 154 154 ASP ASP A . n 
A 1 156 ALA 156 155 155 ALA ALA A . n 
A 1 157 PHE 157 156 156 PHE PHE A . n 
A 1 158 TYR 158 157 157 TYR TYR A . n 
A 1 159 THR 159 158 158 THR THR A . n 
A 1 160 LEU 160 159 159 LEU LEU A . n 
A 1 161 VAL 161 160 160 VAL VAL A . n 
A 1 162 ARG 162 161 161 ARG ARG A . n 
A 1 163 GLU 163 162 162 GLU GLU A . n 
A 1 164 ILE 164 163 163 ILE ILE A . n 
A 1 165 ARG 165 164 164 ARG ARG A . n 
A 1 166 LYS 166 165 165 LYS LYS A . n 
A 1 167 HIS 167 166 166 HIS HIS A . n 
A 1 168 LYS 168 167 167 LYS LYS A . n 
A 1 169 GLU 169 168 168 GLU GLU A . n 
A 1 170 LYS 170 169 169 LYS LYS A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1BEJ 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1BEJ 
_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 GDP   1   201 200 GDP   GDP A . 
C 3 A1BEJ 1   202 2   A1BEJ INC A . 
D 4 MG    1   203 1   MG    MG  A . 
E 5 HOH   1   301 96  HOH   HOH A . 
E 5 HOH   2   302 139 HOH   HOH A . 
E 5 HOH   3   303 101 HOH   HOH A . 
E 5 HOH   4   304 105 HOH   HOH A . 
E 5 HOH   5   305 119 HOH   HOH A . 
E 5 HOH   6   306 154 HOH   HOH A . 
E 5 HOH   7   307 79  HOH   HOH A . 
E 5 HOH   8   308 12  HOH   HOH A . 
E 5 HOH   9   309 6   HOH   HOH A . 
E 5 HOH   10  310 66  HOH   HOH A . 
E 5 HOH   11  311 47  HOH   HOH A . 
E 5 HOH   12  312 86  HOH   HOH A . 
E 5 HOH   13  313 84  HOH   HOH A . 
E 5 HOH   14  314 42  HOH   HOH A . 
E 5 HOH   15  315 50  HOH   HOH A . 
E 5 HOH   16  316 107 HOH   HOH A . 
E 5 HOH   17  317 92  HOH   HOH A . 
E 5 HOH   18  318 134 HOH   HOH A . 
E 5 HOH   19  319 16  HOH   HOH A . 
E 5 HOH   20  320 140 HOH   HOH A . 
E 5 HOH   21  321 23  HOH   HOH A . 
E 5 HOH   22  322 68  HOH   HOH A . 
E 5 HOH   23  323 59  HOH   HOH A . 
E 5 HOH   24  324 76  HOH   HOH A . 
E 5 HOH   25  325 82  HOH   HOH A . 
E 5 HOH   26  326 145 HOH   HOH A . 
E 5 HOH   27  327 155 HOH   HOH A . 
E 5 HOH   28  328 141 HOH   HOH A . 
E 5 HOH   29  329 152 HOH   HOH A . 
E 5 HOH   30  330 75  HOH   HOH A . 
E 5 HOH   31  331 90  HOH   HOH A . 
E 5 HOH   32  332 113 HOH   HOH A . 
E 5 HOH   33  333 21  HOH   HOH A . 
E 5 HOH   34  334 53  HOH   HOH A . 
E 5 HOH   35  335 72  HOH   HOH A . 
E 5 HOH   36  336 22  HOH   HOH A . 
E 5 HOH   37  337 31  HOH   HOH A . 
E 5 HOH   38  338 156 HOH   HOH A . 
E 5 HOH   39  339 41  HOH   HOH A . 
E 5 HOH   40  340 138 HOH   HOH A . 
E 5 HOH   41  341 28  HOH   HOH A . 
E 5 HOH   42  342 91  HOH   HOH A . 
E 5 HOH   43  343 11  HOH   HOH A . 
E 5 HOH   44  344 3   HOH   HOH A . 
E 5 HOH   45  345 57  HOH   HOH A . 
E 5 HOH   46  346 15  HOH   HOH A . 
E 5 HOH   47  347 65  HOH   HOH A . 
E 5 HOH   48  348 26  HOH   HOH A . 
E 5 HOH   49  349 61  HOH   HOH A . 
E 5 HOH   50  350 106 HOH   HOH A . 
E 5 HOH   51  351 9   HOH   HOH A . 
E 5 HOH   52  352 14  HOH   HOH A . 
E 5 HOH   53  353 40  HOH   HOH A . 
E 5 HOH   54  354 136 HOH   HOH A . 
E 5 HOH   55  355 32  HOH   HOH A . 
E 5 HOH   56  356 110 HOH   HOH A . 
E 5 HOH   57  357 62  HOH   HOH A . 
E 5 HOH   58  358 54  HOH   HOH A . 
E 5 HOH   59  359 45  HOH   HOH A . 
E 5 HOH   60  360 2   HOH   HOH A . 
E 5 HOH   61  361 10  HOH   HOH A . 
E 5 HOH   62  362 78  HOH   HOH A . 
E 5 HOH   63  363 94  HOH   HOH A . 
E 5 HOH   64  364 51  HOH   HOH A . 
E 5 HOH   65  365 69  HOH   HOH A . 
E 5 HOH   66  366 1   HOH   HOH A . 
E 5 HOH   67  367 13  HOH   HOH A . 
E 5 HOH   68  368 27  HOH   HOH A . 
E 5 HOH   69  369 43  HOH   HOH A . 
E 5 HOH   70  370 58  HOH   HOH A . 
E 5 HOH   71  371 8   HOH   HOH A . 
E 5 HOH   72  372 71  HOH   HOH A . 
E 5 HOH   73  373 87  HOH   HOH A . 
E 5 HOH   74  374 48  HOH   HOH A . 
E 5 HOH   75  375 24  HOH   HOH A . 
E 5 HOH   76  376 111 HOH   HOH A . 
E 5 HOH   77  377 55  HOH   HOH A . 
E 5 HOH   78  378 17  HOH   HOH A . 
E 5 HOH   79  379 146 HOH   HOH A . 
E 5 HOH   80  380 103 HOH   HOH A . 
E 5 HOH   81  381 36  HOH   HOH A . 
E 5 HOH   82  382 74  HOH   HOH A . 
E 5 HOH   83  383 37  HOH   HOH A . 
E 5 HOH   84  384 132 HOH   HOH A . 
E 5 HOH   85  385 52  HOH   HOH A . 
E 5 HOH   86  386 85  HOH   HOH A . 
E 5 HOH   87  387 33  HOH   HOH A . 
E 5 HOH   88  388 73  HOH   HOH A . 
E 5 HOH   89  389 60  HOH   HOH A . 
E 5 HOH   90  390 99  HOH   HOH A . 
E 5 HOH   91  391 122 HOH   HOH A . 
E 5 HOH   92  392 109 HOH   HOH A . 
E 5 HOH   93  393 20  HOH   HOH A . 
E 5 HOH   94  394 29  HOH   HOH A . 
E 5 HOH   95  395 35  HOH   HOH A . 
E 5 HOH   96  396 18  HOH   HOH A . 
E 5 HOH   97  397 34  HOH   HOH A . 
E 5 HOH   98  398 56  HOH   HOH A . 
E 5 HOH   99  399 25  HOH   HOH A . 
E 5 HOH   100 400 39  HOH   HOH A . 
E 5 HOH   101 401 4   HOH   HOH A . 
E 5 HOH   102 402 81  HOH   HOH A . 
E 5 HOH   103 403 46  HOH   HOH A . 
E 5 HOH   104 404 38  HOH   HOH A . 
E 5 HOH   105 405 7   HOH   HOH A . 
E 5 HOH   106 406 147 HOH   HOH A . 
E 5 HOH   107 407 77  HOH   HOH A . 
E 5 HOH   108 408 89  HOH   HOH A . 
E 5 HOH   109 409 5   HOH   HOH A . 
E 5 HOH   110 410 112 HOH   HOH A . 
E 5 HOH   111 411 121 HOH   HOH A . 
E 5 HOH   112 412 67  HOH   HOH A . 
E 5 HOH   113 413 80  HOH   HOH A . 
E 5 HOH   114 414 88  HOH   HOH A . 
E 5 HOH   115 415 44  HOH   HOH A . 
E 5 HOH   116 416 97  HOH   HOH A . 
E 5 HOH   117 417 108 HOH   HOH A . 
E 5 HOH   118 418 19  HOH   HOH A . 
E 5 HOH   119 419 114 HOH   HOH A . 
E 5 HOH   120 420 49  HOH   HOH A . 
E 5 HOH   121 421 64  HOH   HOH A . 
E 5 HOH   122 422 100 HOH   HOH A . 
E 5 HOH   123 423 137 HOH   HOH A . 
E 5 HOH   124 424 144 HOH   HOH A . 
E 5 HOH   125 425 83  HOH   HOH A . 
E 5 HOH   126 426 102 HOH   HOH A . 
E 5 HOH   127 427 150 HOH   HOH A . 
E 5 HOH   128 428 126 HOH   HOH A . 
E 5 HOH   129 429 125 HOH   HOH A . 
E 5 HOH   130 430 120 HOH   HOH A . 
E 5 HOH   131 431 153 HOH   HOH A . 
E 5 HOH   132 432 118 HOH   HOH A . 
E 5 HOH   133 433 95  HOH   HOH A . 
E 5 HOH   134 434 123 HOH   HOH A . 
E 5 HOH   135 435 104 HOH   HOH A . 
E 5 HOH   136 436 151 HOH   HOH A . 
E 5 HOH   137 437 142 HOH   HOH A . 
E 5 HOH   138 438 128 HOH   HOH A . 
E 5 HOH   139 439 143 HOH   HOH A . 
E 5 HOH   140 440 63  HOH   HOH A . 
E 5 HOH   141 441 129 HOH   HOH A . 
E 5 HOH   142 442 148 HOH   HOH A . 
E 5 HOH   143 443 30  HOH   HOH A . 
E 5 HOH   144 444 130 HOH   HOH A . 
E 5 HOH   145 445 116 HOH   HOH A . 
E 5 HOH   146 446 135 HOH   HOH A . 
E 5 HOH   147 447 124 HOH   HOH A . 
E 5 HOH   148 448 70  HOH   HOH A . 
E 5 HOH   149 449 117 HOH   HOH A . 
E 5 HOH   150 450 115 HOH   HOH A . 
E 5 HOH   151 451 98  HOH   HOH A . 
E 5 HOH   152 452 93  HOH   HOH A . 
E 5 HOH   153 453 131 HOH   HOH A . 
E 5 HOH   154 454 149 HOH   HOH A . 
E 5 HOH   155 455 133 HOH   HOH A . 
E 5 HOH   156 456 127 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 ASP 30  ? CG  ? A ASP 31  CG  
2  1 Y 1 A ASP 30  ? OD1 ? A ASP 31  OD1 
3  1 Y 1 A ASP 30  ? OD2 ? A ASP 31  OD2 
4  1 Y 1 A GLU 31  ? CG  ? A GLU 32  CG  
5  1 Y 1 A GLU 31  ? CD  ? A GLU 32  CD  
6  1 Y 1 A GLU 31  ? OE1 ? A GLU 32  OE1 
7  1 Y 1 A GLU 31  ? OE2 ? A GLU 32  OE2 
8  1 Y 1 A GLU 63  ? CG  ? A GLU 64  CG  
9  1 Y 1 A GLU 63  ? CD  ? A GLU 64  CD  
10 1 Y 1 A GLU 63  ? OE1 ? A GLU 64  OE1 
11 1 Y 1 A GLU 63  ? OE2 ? A GLU 64  OE2 
12 1 Y 1 A LYS 169 ? CG  ? A LYS 170 CG  
13 1 Y 1 A LYS 169 ? CD  ? A LYS 170 CD  
14 1 Y 1 A LYS 169 ? CE  ? A LYS 170 CE  
15 1 Y 1 A LYS 169 ? NZ  ? A LYS 170 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  ? ? ? 5.8.0425 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? xia2    ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? Aimless ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER  ? ? ? .        4 
# 
_cell.angle_alpha                  90 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     9E5F 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     40.175 
_cell.length_a_esd                 ? 
_cell.length_b                     53.63 
_cell.length_b_esd                 ? 
_cell.length_c                     90.206 
_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                         9E5F 
_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                   9E5F 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.45 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          49.85 
_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    '0.1 M Sodium acetate, pH 4.6,30% PEG 4000 and 0.2M ammonium acetate' 
_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 PILATUS 6M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2020-02-18 
_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   0.979 
_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                        'SSRL BEAMLINE BL9-2' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.979 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   BL9-2 
_diffrn_source.pdbx_synchrotron_site       SSRL 
# 
_reflns.B_iso_Wilson_estimate                          12.9 
_reflns.entry_id                                       9E5F 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.35 
_reflns.d_resolution_low                               53.63 
_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                                     43420 
_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                           99.5 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                12.6 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          26.4 
_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                                0.04 
_reflns.pdbx_Rpim_I_all                                0.01 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   1 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              0.04 
_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                                    1.35 
_reflns_shell.d_res_low                                     1.37 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           3.7 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             2023 
_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                               9 
_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                               0.32 
_reflns_shell.pdbx_Rpim_I_all                               0.10 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.96 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          95.4 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  0.3 
_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]                            -0.038 
_refine.aniso_B[1][2]                            -0.000 
_refine.aniso_B[1][3]                            0.000 
_refine.aniso_B[2][2]                            -0.598 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            0.636 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               18.980 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.970 
_refine.correlation_coeff_Fo_to_Fc_free          0.961 
_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                                 9E5F 
_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                            1.350 
_refine.ls_d_res_low                             46.099 
_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                     43359 
_refine.ls_number_reflns_R_free                  2120 
_refine.ls_number_reflns_R_work                  41239 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    99.404 
_refine.ls_percent_reflns_R_free                 4.889 
_refine.ls_R_factor_all                          0.155 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1782 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1535 
_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                       0.052 
_refine.pdbx_overall_ESU_R_Free                  0.048 
_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                             1.414 
_refine.overall_SU_ML                            0.027 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    ? 
_refine.pdbx_average_fsc_free                    ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.350 
_refine_hist.d_res_low                        46.099 
_refine_hist.number_atoms_solvent             156 
_refine_hist.number_atoms_total               1567 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1371 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         40 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.012  0.012  1485 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.005  0.016  1364 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 2.007  1.840  2033 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 1.104  1.786  3147 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 5.968  5.000  183  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 31.850 9.286  14   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 7.628  5.000  1    ? r_dihedral_angle_other_2_deg   ? ? 
'X-RAY DIFFRACTION' ? 11.536 10.000 255  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 16.356 10.000 70   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.115  0.200  228  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.016  0.020  1750 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.005  0.020  332  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.213  0.200  269  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.148  0.200  1218 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.173  0.200  735  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.069  0.200  793  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.104  0.200  112  ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.174  0.200  16   ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.216  0.200  30   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.115  0.200  6    ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 3.077  0.807  699  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 3.076  0.807  699  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.722  1.458  878  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.720  1.457  879  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 4.508  1.053  786  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.506  1.053  787  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 6.462  1.843  1146 ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 6.460  1.843  1147 ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 12.600 11.128 1755 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 11.988 10.511 1726 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.052  3.000  2849 ? 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' 1.350 1.385  3184 . 147 2885 95.2261  . 0.159 . . 0.158 . . . . . 0.130 . 20 . 0.986 0.981 0.168 
'X-RAY DIFFRACTION' 1.385 1.423  3089 . 163 2922 99.8705  . 0.145 . . 0.144 . . . . . 0.118 . 20 . 0.988 0.980 0.173 
'X-RAY DIFFRACTION' 1.423 1.464  2999 . 120 2876 99.9000  . 0.134 . . 0.132 . . . . . 0.107 . 20 . 0.989 0.979 0.179 
'X-RAY DIFFRACTION' 1.464 1.509  2918 . 147 2761 99.6573  . 0.122 . . 0.120 . . . . . 0.098 . 20 . 0.991 0.986 0.152 
'X-RAY DIFFRACTION' 1.509 1.559  2868 . 153 2713 99.9303  . 0.110 . . 0.108 . . . . . 0.089 . 20 . 0.993 0.986 0.148 
'X-RAY DIFFRACTION' 1.559 1.613  2766 . 144 2611 99.6023  . 0.106 . . 0.104 . . . . . 0.087 . 20 . 0.993 0.988 0.129 
'X-RAY DIFFRACTION' 1.613 1.674  2670 . 131 2536 99.8876  . 0.111 . . 0.110 . . . . . 0.093 . 20 . 0.992 0.989 0.131 
'X-RAY DIFFRACTION' 1.674 1.742  2536 . 119 2413 99.8423  . 0.115 . . 0.114 . . . . . 0.098 . 20 . 0.992 0.985 0.149 
'X-RAY DIFFRACTION' 1.742 1.820  2471 . 132 2335 99.8381  . 0.124 . . 0.122 . . . . . 0.106 . 20 . 0.991 0.984 0.159 
'X-RAY DIFFRACTION' 1.820 1.908  2372 . 112 2253 99.7049  . 0.136 . . 0.134 . . . . . 0.119 . 20 . 0.989 0.980 0.175 
'X-RAY DIFFRACTION' 1.908 2.011  2241 . 100 2135 99.7323  . 0.152 . . 0.151 . . . . . 0.140 . 20 . 0.987 0.983 0.167 
'X-RAY DIFFRACTION' 2.011 2.133  2123 . 102 2020 99.9529  . 0.161 . . 0.160 . . . . . 0.152 . 20 . 0.986 0.979 0.191 
'X-RAY DIFFRACTION' 2.133 2.280  2019 . 92  1918 99.5542  . 0.148 . . 0.147 . . . . . 0.144 . 20 . 0.988 0.981 0.176 
'X-RAY DIFFRACTION' 2.280 2.462  1869 . 95  1760 99.2509  . 0.146 . . 0.144 . . . . . 0.146 . 20 . 0.987 0.983 0.170 
'X-RAY DIFFRACTION' 2.462 2.697  1759 . 80  1677 99.8863  . 0.158 . . 0.158 . . . . . 0.164 . 20 . 0.984 0.984 0.156 
'X-RAY DIFFRACTION' 2.697 3.014  1574 . 77  1497 100.0000 . 0.172 . . 0.171 . . . . . 0.183 . 20 . 0.982 0.971 0.209 
'X-RAY DIFFRACTION' 3.014 3.477  1403 . 76  1318 99.3585  . 0.176 . . 0.175 . . . . . 0.195 . 20 . 0.981 0.977 0.195 
'X-RAY DIFFRACTION' 3.477 4.253  1209 . 57  1149 99.7519  . 0.167 . . 0.165 . . . . . 0.196 . 20 . 0.984 0.978 0.211 
'X-RAY DIFFRACTION' 4.253 5.989  970  . 53  916  99.8969  . 0.184 . . 0.184 . . . . . 0.223 . 20 . 0.986 0.984 0.195 
'X-RAY DIFFRACTION' 5.989 46.099 578  . 19  544  97.4048  . 0.214 . . 0.214 . . . . . 0.270 . 20 . 0.970 0.981 0.213 
# 
_struct.entry_id                     9E5F 
_struct.title                        'Discovery of an Orally Bioavailable KRAS G12D 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        9E5F 
_struct_keywords.text            'Inhibitor, Oncoprotein, GTPase, HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR complex' 
_struct_keywords.pdbx_keywords   'HYDROLASE/HYDROLASE INHIBITOR' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
E N N 5 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    RASK_HUMAN 
_struct_ref.pdbx_db_accession          P01116 
_struct_ref.pdbx_db_isoform            P01116-2 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;MTEYKLVVVGAGGVGKSALTIQLIQNHFVDEYDPTIEDSYRKQVVIDGETCLLDILDTAGQEEYSAMRDQYMRTGEGFLC
VFAINNTKSFEDIHHYREQIKRVKDSEDVPMVLVGNKCDLPSRTVDTKQAQDLARSYGIPFIETSAKTRQGVDDAFYTLV
REIRKHKEK
;
_struct_ref.pdbx_align_begin           1 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              9E5F 
_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                 170 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P01116 
_struct_ref_seq.db_align_beg                  1 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  169 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       169 
# 
loop_
_struct_ref_seq_dif.align_id 
_struct_ref_seq_dif.pdbx_pdb_id_code 
_struct_ref_seq_dif.mon_id 
_struct_ref_seq_dif.pdbx_pdb_strand_id 
_struct_ref_seq_dif.seq_num 
_struct_ref_seq_dif.pdbx_pdb_ins_code 
_struct_ref_seq_dif.pdbx_seq_db_name 
_struct_ref_seq_dif.pdbx_seq_db_accession_code 
_struct_ref_seq_dif.db_mon_id 
_struct_ref_seq_dif.pdbx_seq_db_seq_num 
_struct_ref_seq_dif.details 
_struct_ref_seq_dif.pdbx_auth_seq_num 
_struct_ref_seq_dif.pdbx_ordinal 
1 9E5F GLY A 1  ? UNP P01116 ?   ?  'expression tag'      0  1 
1 9E5F ASP A 13 ? UNP P01116 GLY 12 'engineered mutation' 12 2 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_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 
# 
loop_
_struct_conf.conf_type_id 
_struct_conf.id 
_struct_conf.pdbx_PDB_helix_id 
_struct_conf.beg_label_comp_id 
_struct_conf.beg_label_asym_id 
_struct_conf.beg_label_seq_id 
_struct_conf.pdbx_beg_PDB_ins_code 
_struct_conf.end_label_comp_id 
_struct_conf.end_label_asym_id 
_struct_conf.end_label_seq_id 
_struct_conf.pdbx_end_PDB_ins_code 
_struct_conf.beg_auth_comp_id 
_struct_conf.beg_auth_asym_id 
_struct_conf.beg_auth_seq_id 
_struct_conf.end_auth_comp_id 
_struct_conf.end_auth_asym_id 
_struct_conf.end_auth_seq_id 
_struct_conf.pdbx_PDB_helix_class 
_struct_conf.details 
_struct_conf.pdbx_PDB_helix_length 
HELX_P HELX_P1 AA1 GLY A 16  ? ASN A 27  ? GLY A 15  ASN A 26  1 ? 12 
HELX_P HELX_P2 AA2 SER A 66  ? THR A 75  ? SER A 65  THR A 74  1 ? 10 
HELX_P HELX_P3 AA3 ASN A 87  ? ASP A 93  ? ASN A 86  ASP A 92  1 ? 7  
HELX_P HELX_P4 AA4 ASP A 93  ? ASP A 106 ? ASP A 92  ASP A 105 1 ? 14 
HELX_P HELX_P5 AA5 ASP A 127 ? GLY A 139 ? ASP A 126 GLY A 138 1 ? 13 
HELX_P HELX_P6 AA6 GLY A 152 ? LYS A 170 ? GLY A 151 LYS A 169 1 ? 19 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
metalc1 metalc ? ? A SER 18 OG  ? ? ? 1_555 D MG  . MG ? ? A SER 17  A MG  203 1_555 ? ? ? ? ? ? ? 2.077 ? ? 
metalc2 metalc ? ? B GDP .  O3B ? ? ? 1_555 D MG  . MG ? ? A GDP 201 A MG  203 1_555 ? ? ? ? ? ? ? 2.024 ? ? 
metalc3 metalc ? ? D MG  .  MG  ? ? ? 1_555 E HOH . O  ? ? A MG  203 A HOH 321 1_555 ? ? ? ? ? ? ? 2.023 ? ? 
metalc4 metalc ? ? D MG  .  MG  ? ? ? 1_555 E HOH . O  ? ? A MG  203 A HOH 333 1_555 ? ? ? ? ? ? ? 2.098 ? ? 
metalc5 metalc ? ? D MG  .  MG  ? ? ? 1_555 E HOH . O  ? ? A MG  203 A HOH 336 1_555 ? ? ? ? ? ? ? 2.107 ? ? 
metalc6 metalc ? ? D MG  .  MG  ? ? ? 1_555 E HOH . O  ? ? A MG  203 A HOH 375 1_555 ? ? ? ? ? ? ? 2.131 ? ? 
# 
_struct_conn_type.id          metalc 
_struct_conn_type.criteria    ? 
_struct_conn_type.reference   ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1  OG  ? A SER 18 ? A SER 17  ? 1_555 MG ? D MG . ? A MG 203 ? 1_555 O3B ? B GDP . ? A GDP 201 ? 1_555 93.3  ? 
2  OG  ? A SER 18 ? A SER 17  ? 1_555 MG ? D MG . ? A MG 203 ? 1_555 O   ? E HOH . ? A HOH 321 ? 1_555 84.8  ? 
3  O3B ? B GDP .  ? A GDP 201 ? 1_555 MG ? D MG . ? A MG 203 ? 1_555 O   ? E HOH . ? A HOH 321 ? 1_555 95.0  ? 
4  OG  ? A SER 18 ? A SER 17  ? 1_555 MG ? D MG . ? A MG 203 ? 1_555 O   ? E HOH . ? A HOH 333 ? 1_555 91.0  ? 
5  O3B ? B GDP .  ? A GDP 201 ? 1_555 MG ? D MG . ? A MG 203 ? 1_555 O   ? E HOH . ? A HOH 333 ? 1_555 87.2  ? 
6  O   ? E HOH .  ? A HOH 321 ? 1_555 MG ? D MG . ? A MG 203 ? 1_555 O   ? E HOH . ? A HOH 333 ? 1_555 175.5 ? 
7  OG  ? A SER 18 ? A SER 17  ? 1_555 MG ? D MG . ? A MG 203 ? 1_555 O   ? E HOH . ? A HOH 336 ? 1_555 174.8 ? 
8  O3B ? B GDP .  ? A GDP 201 ? 1_555 MG ? D MG . ? A MG 203 ? 1_555 O   ? E HOH . ? A HOH 336 ? 1_555 89.6  ? 
9  O   ? E HOH .  ? A HOH 321 ? 1_555 MG ? D MG . ? A MG 203 ? 1_555 O   ? E HOH . ? A HOH 336 ? 1_555 90.7  ? 
10 O   ? E HOH .  ? A HOH 333 ? 1_555 MG ? D MG . ? A MG 203 ? 1_555 O   ? E HOH . ? A HOH 336 ? 1_555 93.3  ? 
11 OG  ? A SER 18 ? A SER 17  ? 1_555 MG ? D MG . ? A MG 203 ? 1_555 O   ? E HOH . ? A HOH 375 ? 1_555 90.8  ? 
12 O3B ? B GDP .  ? A GDP 201 ? 1_555 MG ? D MG . ? A MG 203 ? 1_555 O   ? E HOH . ? A HOH 375 ? 1_555 171.5 ? 
13 O   ? E HOH .  ? A HOH 321 ? 1_555 MG ? D MG . ? A MG 203 ? 1_555 O   ? E HOH . ? A HOH 375 ? 1_555 92.8  ? 
14 O   ? E HOH .  ? A HOH 333 ? 1_555 MG ? D MG . ? A MG 203 ? 1_555 O   ? E HOH . ? A HOH 375 ? 1_555 85.3  ? 
15 O   ? E HOH .  ? A HOH 336 ? 1_555 MG ? D MG . ? A MG 203 ? 1_555 O   ? E HOH . ? A HOH 375 ? 1_555 86.8  ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   6 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? parallel      
AA1 3 4 ? parallel      
AA1 4 5 ? parallel      
AA1 5 6 ? 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 ASP A 39  ? ILE A 47  ? ASP A 38  ILE A 46  
AA1 2 GLU A 50  ? ASP A 58  ? GLU A 49  ASP A 57  
AA1 3 THR A 3   ? VAL A 10  ? THR A 2   VAL A 9   
AA1 4 GLY A 78  ? ALA A 84  ? GLY A 77  ALA A 83  
AA1 5 MET A 112 ? ASN A 117 ? MET A 111 ASN A 116 
AA1 6 PHE A 142 ? GLU A 144 ? PHE A 141 GLU A 143 
# 
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 TYR A 41  ? N TYR A 40  O ILE A 56  ? O ILE A 55  
AA1 2 3 O ASP A 55  ? O ASP A 54  N LEU A 7   ? N LEU A 6   
AA1 3 4 N VAL A 10  ? N VAL A 9   O VAL A 82  ? O VAL A 81  
AA1 4 5 N PHE A 83  ? N PHE A 82  O ASN A 117 ? O ASN A 116 
AA1 5 6 N LEU A 114 ? N LEU A 113 O ILE A 143 ? O ILE A 142 
# 
_pdbx_entry_details.entry_id                   9E5F 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_rmsd_angle.id 
_pdbx_validate_rmsd_angle.PDB_model_num 
_pdbx_validate_rmsd_angle.auth_atom_id_1 
_pdbx_validate_rmsd_angle.auth_asym_id_1 
_pdbx_validate_rmsd_angle.auth_comp_id_1 
_pdbx_validate_rmsd_angle.auth_seq_id_1 
_pdbx_validate_rmsd_angle.PDB_ins_code_1 
_pdbx_validate_rmsd_angle.label_alt_id_1 
_pdbx_validate_rmsd_angle.auth_atom_id_2 
_pdbx_validate_rmsd_angle.auth_asym_id_2 
_pdbx_validate_rmsd_angle.auth_comp_id_2 
_pdbx_validate_rmsd_angle.auth_seq_id_2 
_pdbx_validate_rmsd_angle.PDB_ins_code_2 
_pdbx_validate_rmsd_angle.label_alt_id_2 
_pdbx_validate_rmsd_angle.auth_atom_id_3 
_pdbx_validate_rmsd_angle.auth_asym_id_3 
_pdbx_validate_rmsd_angle.auth_comp_id_3 
_pdbx_validate_rmsd_angle.auth_seq_id_3 
_pdbx_validate_rmsd_angle.PDB_ins_code_3 
_pdbx_validate_rmsd_angle.label_alt_id_3 
_pdbx_validate_rmsd_angle.angle_value 
_pdbx_validate_rmsd_angle.angle_target_value 
_pdbx_validate_rmsd_angle.angle_deviation 
_pdbx_validate_rmsd_angle.angle_standard_deviation 
_pdbx_validate_rmsd_angle.linker_flag 
1 1 CB A TYR 32  ? ? CG A TYR 32  ? ? CD1 A TYR 32  ? ? 117.35 121.00 -3.65 0.60 N 
2 1 CD A ARG 41  ? ? NE A ARG 41  ? ? CZ  A ARG 41  ? ? 136.05 123.60 12.45 1.40 N 
3 1 NE A ARG 41  ? ? CZ A ARG 41  ? ? NH2 A ARG 41  ? ? 123.58 120.30 3.28  0.50 N 
4 1 NE A ARG 97  ? ? CZ A ARG 97  ? ? NH2 A ARG 97  ? ? 116.72 120.30 -3.58 0.50 N 
5 1 NE A ARG 149 ? ? CZ A ARG 149 ? ? NH1 A ARG 149 ? ? 123.93 120.30 3.63  0.50 N 
# 
_pdbx_validate_torsion.id              1 
_pdbx_validate_torsion.PDB_model_num   1 
_pdbx_validate_torsion.auth_comp_id    LYS 
_pdbx_validate_torsion.auth_asym_id    A 
_pdbx_validate_torsion.auth_seq_id     117 
_pdbx_validate_torsion.PDB_ins_code    ? 
_pdbx_validate_torsion.label_alt_id    ? 
_pdbx_validate_torsion.phi             73.07 
_pdbx_validate_torsion.psi             32.93 
# 
_pdbx_validate_planes.id              1 
_pdbx_validate_planes.PDB_model_num   1 
_pdbx_validate_planes.auth_comp_id    ARG 
_pdbx_validate_planes.auth_asym_id    A 
_pdbx_validate_planes.auth_seq_id     41 
_pdbx_validate_planes.PDB_ins_code    ? 
_pdbx_validate_planes.label_alt_id    ? 
_pdbx_validate_planes.rmsd            0.111 
_pdbx_validate_planes.type            'SIDE CHAIN' 
# 
_pdbx_refine_tls.id               1 
_pdbx_refine_tls.pdbx_refine_id   'X-RAY DIFFRACTION' 
_pdbx_refine_tls.details          ? 
_pdbx_refine_tls.method           refined 
_pdbx_refine_tls.origin_x         17.6656 
_pdbx_refine_tls.origin_y         -2.5757 
_pdbx_refine_tls.origin_z         -12.6038 
_pdbx_refine_tls.T[1][1]          0.0234 
_pdbx_refine_tls.T[1][1]_esd      ? 
_pdbx_refine_tls.T[1][2]          0.0118 
_pdbx_refine_tls.T[1][2]_esd      ? 
_pdbx_refine_tls.T[1][3]          0.0051 
_pdbx_refine_tls.T[1][3]_esd      ? 
_pdbx_refine_tls.T[2][2]          0.0207 
_pdbx_refine_tls.T[2][2]_esd      ? 
_pdbx_refine_tls.T[2][3]          0.0035 
_pdbx_refine_tls.T[2][3]_esd      ? 
_pdbx_refine_tls.T[3][3]          0.0029 
_pdbx_refine_tls.T[3][3]_esd      ? 
_pdbx_refine_tls.L[1][1]          2.2730 
_pdbx_refine_tls.L[1][1]_esd      ? 
_pdbx_refine_tls.L[1][2]          0.3088 
_pdbx_refine_tls.L[1][2]_esd      ? 
_pdbx_refine_tls.L[1][3]          -0.2848 
_pdbx_refine_tls.L[1][3]_esd      ? 
_pdbx_refine_tls.L[2][2]          2.0296 
_pdbx_refine_tls.L[2][2]_esd      ? 
_pdbx_refine_tls.L[2][3]          -0.5891 
_pdbx_refine_tls.L[2][3]_esd      ? 
_pdbx_refine_tls.L[3][3]          2.2197 
_pdbx_refine_tls.L[3][3]_esd      ? 
_pdbx_refine_tls.S[1][1]          -0.0386 
_pdbx_refine_tls.S[1][1]_esd      ? 
_pdbx_refine_tls.S[1][2]          -0.0590 
_pdbx_refine_tls.S[1][2]_esd      ? 
_pdbx_refine_tls.S[1][3]          0.0476 
_pdbx_refine_tls.S[1][3]_esd      ? 
_pdbx_refine_tls.S[2][1]          -0.1149 
_pdbx_refine_tls.S[2][1]_esd      ? 
_pdbx_refine_tls.S[2][2]          0.0340 
_pdbx_refine_tls.S[2][2]_esd      ? 
_pdbx_refine_tls.S[2][3]          -0.0013 
_pdbx_refine_tls.S[2][3]_esd      ? 
_pdbx_refine_tls.S[3][1]          0.0901 
_pdbx_refine_tls.S[3][1]_esd      ? 
_pdbx_refine_tls.S[3][2]          -0.0819 
_pdbx_refine_tls.S[3][2]_esd      ? 
_pdbx_refine_tls.S[3][3]          0.0046 
_pdbx_refine_tls.S[3][3]_esd      ? 
# 
_pdbx_refine_tls_group.id                  1 
_pdbx_refine_tls_group.pdbx_refine_id      'X-RAY DIFFRACTION' 
_pdbx_refine_tls_group.refine_tls_id       1 
_pdbx_refine_tls_group.beg_label_asym_id   ? 
_pdbx_refine_tls_group.beg_label_seq_id    ? 
_pdbx_refine_tls_group.beg_auth_asym_id    A 
_pdbx_refine_tls_group.beg_auth_seq_id     0 
_pdbx_refine_tls_group.beg_PDB_ins_code    ? 
_pdbx_refine_tls_group.end_label_asym_id   ? 
_pdbx_refine_tls_group.end_label_seq_id    ? 
_pdbx_refine_tls_group.end_auth_asym_id    A 
_pdbx_refine_tls_group.end_auth_seq_id     201 
_pdbx_refine_tls_group.end_PDB_ins_code    ? 
_pdbx_refine_tls_group.selection           ALL 
_pdbx_refine_tls_group.selection_details   ? 
# 
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 
A1BEJ C1     C  N N 1   
A1BEJ O1     O  N N 2   
A1BEJ N2     N  N N 3   
A1BEJ C2     C  N N 4   
A1BEJ C3     C  N N 5   
A1BEJ N1     N  N N 6   
A1BEJ C4     C  N N 7   
A1BEJ C5     C  N N 8   
A1BEJ C6     C  Y N 9   
A1BEJ N3     N  Y N 10  
A1BEJ C7     C  Y N 11  
A1BEJ C8     C  Y N 12  
A1BEJ F1     F  N N 13  
A1BEJ C9     C  Y N 14  
A1BEJ C10    C  Y N 15  
A1BEJ CL1    CL N N 16  
A1BEJ C11    C  Y N 17  
A1BEJ C12    C  Y N 18  
A1BEJ C13    C  Y N 19  
A1BEJ C14    C  Y N 20  
A1BEJ N4     N  Y N 21  
A1BEJ C15    C  Y N 22  
A1BEJ N5     N  Y N 23  
A1BEJ C16    C  N S 24  
A1BEJ C17    C  N R 25  
A1BEJ C18    C  N N 26  
A1BEJ N6     N  N N 27  
A1BEJ C19    C  N R 28  
A1BEJ C20    C  N N 29  
A1BEJ C21    C  Y N 30  
A1BEJ C22    C  Y N 31  
A1BEJ C23    C  Y N 32  
A1BEJ C24    C  Y N 33  
A1BEJ C25    C  Y N 34  
A1BEJ C26    C  Y N 35  
A1BEJ C27    C  Y N 36  
A1BEJ C28    C  Y N 37  
A1BEJ C29    C  Y N 38  
A1BEJ C30    C  Y N 39  
A1BEJ H1     H  N N 40  
A1BEJ H2     H  N N 41  
A1BEJ H3     H  N N 42  
A1BEJ H4     H  N N 43  
A1BEJ H5     H  N N 44  
A1BEJ H6     H  N N 45  
A1BEJ H7     H  N N 46  
A1BEJ H8     H  N N 47  
A1BEJ H10    H  N N 48  
A1BEJ H11    H  N N 49  
A1BEJ H12    H  N N 50  
A1BEJ H13    H  N N 51  
A1BEJ H14    H  N N 52  
A1BEJ H15    H  N N 53  
A1BEJ H16    H  N N 54  
A1BEJ H17    H  N N 55  
A1BEJ H18    H  N N 56  
A1BEJ H19    H  N N 57  
A1BEJ H20    H  N N 58  
A1BEJ H22    H  N N 59  
A1BEJ H23    H  N N 60  
A1BEJ H24    H  N N 61  
A1BEJ H25    H  N N 62  
A1BEJ H26    H  N N 63  
A1BEJ H27    H  N N 64  
A1BEJ H28    H  N N 65  
A1BEJ H29    H  N N 66  
A1BEJ H30    H  N N 67  
ALA   N      N  N N 68  
ALA   CA     C  N S 69  
ALA   C      C  N N 70  
ALA   O      O  N N 71  
ALA   CB     C  N N 72  
ALA   OXT    O  N N 73  
ALA   H      H  N N 74  
ALA   H2     H  N N 75  
ALA   HA     H  N N 76  
ALA   HB1    H  N N 77  
ALA   HB2    H  N N 78  
ALA   HB3    H  N N 79  
ALA   HXT    H  N N 80  
ARG   N      N  N N 81  
ARG   CA     C  N S 82  
ARG   C      C  N N 83  
ARG   O      O  N N 84  
ARG   CB     C  N N 85  
ARG   CG     C  N N 86  
ARG   CD     C  N N 87  
ARG   NE     N  N N 88  
ARG   CZ     C  N N 89  
ARG   NH1    N  N N 90  
ARG   NH2    N  N N 91  
ARG   OXT    O  N N 92  
ARG   H      H  N N 93  
ARG   H2     H  N N 94  
ARG   HA     H  N N 95  
ARG   HB2    H  N N 96  
ARG   HB3    H  N N 97  
ARG   HG2    H  N N 98  
ARG   HG3    H  N N 99  
ARG   HD2    H  N N 100 
ARG   HD3    H  N N 101 
ARG   HE     H  N N 102 
ARG   HH11   H  N N 103 
ARG   HH12   H  N N 104 
ARG   HH21   H  N N 105 
ARG   HH22   H  N N 106 
ARG   HXT    H  N N 107 
ASN   N      N  N N 108 
ASN   CA     C  N S 109 
ASN   C      C  N N 110 
ASN   O      O  N N 111 
ASN   CB     C  N N 112 
ASN   CG     C  N N 113 
ASN   OD1    O  N N 114 
ASN   ND2    N  N N 115 
ASN   OXT    O  N N 116 
ASN   H      H  N N 117 
ASN   H2     H  N N 118 
ASN   HA     H  N N 119 
ASN   HB2    H  N N 120 
ASN   HB3    H  N N 121 
ASN   HD21   H  N N 122 
ASN   HD22   H  N N 123 
ASN   HXT    H  N N 124 
ASP   N      N  N N 125 
ASP   CA     C  N S 126 
ASP   C      C  N N 127 
ASP   O      O  N N 128 
ASP   CB     C  N N 129 
ASP   CG     C  N N 130 
ASP   OD1    O  N N 131 
ASP   OD2    O  N N 132 
ASP   OXT    O  N N 133 
ASP   H      H  N N 134 
ASP   H2     H  N N 135 
ASP   HA     H  N N 136 
ASP   HB2    H  N N 137 
ASP   HB3    H  N N 138 
ASP   HD2    H  N N 139 
ASP   HXT    H  N N 140 
CYS   N      N  N N 141 
CYS   CA     C  N R 142 
CYS   C      C  N N 143 
CYS   O      O  N N 144 
CYS   CB     C  N N 145 
CYS   SG     S  N N 146 
CYS   OXT    O  N N 147 
CYS   H      H  N N 148 
CYS   H2     H  N N 149 
CYS   HA     H  N N 150 
CYS   HB2    H  N N 151 
CYS   HB3    H  N N 152 
CYS   HG     H  N N 153 
CYS   HXT    H  N N 154 
GDP   PB     P  N N 155 
GDP   O1B    O  N N 156 
GDP   O2B    O  N N 157 
GDP   O3B    O  N N 158 
GDP   O3A    O  N N 159 
GDP   PA     P  N N 160 
GDP   O1A    O  N N 161 
GDP   O2A    O  N N 162 
GDP   "O5'"  O  N N 163 
GDP   "C5'"  C  N N 164 
GDP   "C4'"  C  N R 165 
GDP   "O4'"  O  N N 166 
GDP   "C3'"  C  N S 167 
GDP   "O3'"  O  N N 168 
GDP   "C2'"  C  N R 169 
GDP   "O2'"  O  N N 170 
GDP   "C1'"  C  N R 171 
GDP   N9     N  Y N 172 
GDP   C8     C  Y N 173 
GDP   N7     N  Y N 174 
GDP   C5     C  Y N 175 
GDP   C6     C  N N 176 
GDP   O6     O  N N 177 
GDP   N1     N  N N 178 
GDP   C2     C  N N 179 
GDP   N2     N  N N 180 
GDP   N3     N  N N 181 
GDP   C4     C  Y N 182 
GDP   HOB2   H  N N 183 
GDP   HOB3   H  N N 184 
GDP   HOA2   H  N N 185 
GDP   "H5'"  H  N N 186 
GDP   "H5''" H  N N 187 
GDP   "H4'"  H  N N 188 
GDP   "H3'"  H  N N 189 
GDP   "HO3'" H  N N 190 
GDP   "H2'"  H  N N 191 
GDP   "HO2'" H  N N 192 
GDP   "H1'"  H  N N 193 
GDP   H8     H  N N 194 
GDP   HN1    H  N N 195 
GDP   HN21   H  N N 196 
GDP   HN22   H  N N 197 
GLN   N      N  N N 198 
GLN   CA     C  N S 199 
GLN   C      C  N N 200 
GLN   O      O  N N 201 
GLN   CB     C  N N 202 
GLN   CG     C  N N 203 
GLN   CD     C  N N 204 
GLN   OE1    O  N N 205 
GLN   NE2    N  N N 206 
GLN   OXT    O  N N 207 
GLN   H      H  N N 208 
GLN   H2     H  N N 209 
GLN   HA     H  N N 210 
GLN   HB2    H  N N 211 
GLN   HB3    H  N N 212 
GLN   HG2    H  N N 213 
GLN   HG3    H  N N 214 
GLN   HE21   H  N N 215 
GLN   HE22   H  N N 216 
GLN   HXT    H  N N 217 
GLU   N      N  N N 218 
GLU   CA     C  N S 219 
GLU   C      C  N N 220 
GLU   O      O  N N 221 
GLU   CB     C  N N 222 
GLU   CG     C  N N 223 
GLU   CD     C  N N 224 
GLU   OE1    O  N N 225 
GLU   OE2    O  N N 226 
GLU   OXT    O  N N 227 
GLU   H      H  N N 228 
GLU   H2     H  N N 229 
GLU   HA     H  N N 230 
GLU   HB2    H  N N 231 
GLU   HB3    H  N N 232 
GLU   HG2    H  N N 233 
GLU   HG3    H  N N 234 
GLU   HE2    H  N N 235 
GLU   HXT    H  N N 236 
GLY   N      N  N N 237 
GLY   CA     C  N N 238 
GLY   C      C  N N 239 
GLY   O      O  N N 240 
GLY   OXT    O  N N 241 
GLY   H      H  N N 242 
GLY   H2     H  N N 243 
GLY   HA2    H  N N 244 
GLY   HA3    H  N N 245 
GLY   HXT    H  N N 246 
HIS   N      N  N N 247 
HIS   CA     C  N S 248 
HIS   C      C  N N 249 
HIS   O      O  N N 250 
HIS   CB     C  N N 251 
HIS   CG     C  Y N 252 
HIS   ND1    N  Y N 253 
HIS   CD2    C  Y N 254 
HIS   CE1    C  Y N 255 
HIS   NE2    N  Y N 256 
HIS   OXT    O  N N 257 
HIS   H      H  N N 258 
HIS   H2     H  N N 259 
HIS   HA     H  N N 260 
HIS   HB2    H  N N 261 
HIS   HB3    H  N N 262 
HIS   HD1    H  N N 263 
HIS   HD2    H  N N 264 
HIS   HE1    H  N N 265 
HIS   HE2    H  N N 266 
HIS   HXT    H  N N 267 
HOH   O      O  N N 268 
HOH   H1     H  N N 269 
HOH   H2     H  N N 270 
ILE   N      N  N N 271 
ILE   CA     C  N S 272 
ILE   C      C  N N 273 
ILE   O      O  N N 274 
ILE   CB     C  N S 275 
ILE   CG1    C  N N 276 
ILE   CG2    C  N N 277 
ILE   CD1    C  N N 278 
ILE   OXT    O  N N 279 
ILE   H      H  N N 280 
ILE   H2     H  N N 281 
ILE   HA     H  N N 282 
ILE   HB     H  N N 283 
ILE   HG12   H  N N 284 
ILE   HG13   H  N N 285 
ILE   HG21   H  N N 286 
ILE   HG22   H  N N 287 
ILE   HG23   H  N N 288 
ILE   HD11   H  N N 289 
ILE   HD12   H  N N 290 
ILE   HD13   H  N N 291 
ILE   HXT    H  N N 292 
LEU   N      N  N N 293 
LEU   CA     C  N S 294 
LEU   C      C  N N 295 
LEU   O      O  N N 296 
LEU   CB     C  N N 297 
LEU   CG     C  N N 298 
LEU   CD1    C  N N 299 
LEU   CD2    C  N N 300 
LEU   OXT    O  N N 301 
LEU   H      H  N N 302 
LEU   H2     H  N N 303 
LEU   HA     H  N N 304 
LEU   HB2    H  N N 305 
LEU   HB3    H  N N 306 
LEU   HG     H  N N 307 
LEU   HD11   H  N N 308 
LEU   HD12   H  N N 309 
LEU   HD13   H  N N 310 
LEU   HD21   H  N N 311 
LEU   HD22   H  N N 312 
LEU   HD23   H  N N 313 
LEU   HXT    H  N N 314 
LYS   N      N  N N 315 
LYS   CA     C  N S 316 
LYS   C      C  N N 317 
LYS   O      O  N N 318 
LYS   CB     C  N N 319 
LYS   CG     C  N N 320 
LYS   CD     C  N N 321 
LYS   CE     C  N N 322 
LYS   NZ     N  N N 323 
LYS   OXT    O  N N 324 
LYS   H      H  N N 325 
LYS   H2     H  N N 326 
LYS   HA     H  N N 327 
LYS   HB2    H  N N 328 
LYS   HB3    H  N N 329 
LYS   HG2    H  N N 330 
LYS   HG3    H  N N 331 
LYS   HD2    H  N N 332 
LYS   HD3    H  N N 333 
LYS   HE2    H  N N 334 
LYS   HE3    H  N N 335 
LYS   HZ1    H  N N 336 
LYS   HZ2    H  N N 337 
LYS   HZ3    H  N N 338 
LYS   HXT    H  N N 339 
MET   N      N  N N 340 
MET   CA     C  N S 341 
MET   C      C  N N 342 
MET   O      O  N N 343 
MET   CB     C  N N 344 
MET   CG     C  N N 345 
MET   SD     S  N N 346 
MET   CE     C  N N 347 
MET   OXT    O  N N 348 
MET   H      H  N N 349 
MET   H2     H  N N 350 
MET   HA     H  N N 351 
MET   HB2    H  N N 352 
MET   HB3    H  N N 353 
MET   HG2    H  N N 354 
MET   HG3    H  N N 355 
MET   HE1    H  N N 356 
MET   HE2    H  N N 357 
MET   HE3    H  N N 358 
MET   HXT    H  N N 359 
MG    MG     MG N N 360 
PHE   N      N  N N 361 
PHE   CA     C  N S 362 
PHE   C      C  N N 363 
PHE   O      O  N N 364 
PHE   CB     C  N N 365 
PHE   CG     C  Y N 366 
PHE   CD1    C  Y N 367 
PHE   CD2    C  Y N 368 
PHE   CE1    C  Y N 369 
PHE   CE2    C  Y N 370 
PHE   CZ     C  Y N 371 
PHE   OXT    O  N N 372 
PHE   H      H  N N 373 
PHE   H2     H  N N 374 
PHE   HA     H  N N 375 
PHE   HB2    H  N N 376 
PHE   HB3    H  N N 377 
PHE   HD1    H  N N 378 
PHE   HD2    H  N N 379 
PHE   HE1    H  N N 380 
PHE   HE2    H  N N 381 
PHE   HZ     H  N N 382 
PHE   HXT    H  N N 383 
PRO   N      N  N N 384 
PRO   CA     C  N S 385 
PRO   C      C  N N 386 
PRO   O      O  N N 387 
PRO   CB     C  N N 388 
PRO   CG     C  N N 389 
PRO   CD     C  N N 390 
PRO   OXT    O  N N 391 
PRO   H      H  N N 392 
PRO   HA     H  N N 393 
PRO   HB2    H  N N 394 
PRO   HB3    H  N N 395 
PRO   HG2    H  N N 396 
PRO   HG3    H  N N 397 
PRO   HD2    H  N N 398 
PRO   HD3    H  N N 399 
PRO   HXT    H  N N 400 
SER   N      N  N N 401 
SER   CA     C  N S 402 
SER   C      C  N N 403 
SER   O      O  N N 404 
SER   CB     C  N N 405 
SER   OG     O  N N 406 
SER   OXT    O  N N 407 
SER   H      H  N N 408 
SER   H2     H  N N 409 
SER   HA     H  N N 410 
SER   HB2    H  N N 411 
SER   HB3    H  N N 412 
SER   HG     H  N N 413 
SER   HXT    H  N N 414 
THR   N      N  N N 415 
THR   CA     C  N S 416 
THR   C      C  N N 417 
THR   O      O  N N 418 
THR   CB     C  N R 419 
THR   OG1    O  N N 420 
THR   CG2    C  N N 421 
THR   OXT    O  N N 422 
THR   H      H  N N 423 
THR   H2     H  N N 424 
THR   HA     H  N N 425 
THR   HB     H  N N 426 
THR   HG1    H  N N 427 
THR   HG21   H  N N 428 
THR   HG22   H  N N 429 
THR   HG23   H  N N 430 
THR   HXT    H  N N 431 
TYR   N      N  N N 432 
TYR   CA     C  N S 433 
TYR   C      C  N N 434 
TYR   O      O  N N 435 
TYR   CB     C  N N 436 
TYR   CG     C  Y N 437 
TYR   CD1    C  Y N 438 
TYR   CD2    C  Y N 439 
TYR   CE1    C  Y N 440 
TYR   CE2    C  Y N 441 
TYR   CZ     C  Y N 442 
TYR   OH     O  N N 443 
TYR   OXT    O  N N 444 
TYR   H      H  N N 445 
TYR   H2     H  N N 446 
TYR   HA     H  N N 447 
TYR   HB2    H  N N 448 
TYR   HB3    H  N N 449 
TYR   HD1    H  N N 450 
TYR   HD2    H  N N 451 
TYR   HE1    H  N N 452 
TYR   HE2    H  N N 453 
TYR   HH     H  N N 454 
TYR   HXT    H  N N 455 
VAL   N      N  N N 456 
VAL   CA     C  N S 457 
VAL   C      C  N N 458 
VAL   O      O  N N 459 
VAL   CB     C  N N 460 
VAL   CG1    C  N N 461 
VAL   CG2    C  N N 462 
VAL   OXT    O  N N 463 
VAL   H      H  N N 464 
VAL   H2     H  N N 465 
VAL   HA     H  N N 466 
VAL   HB     H  N N 467 
VAL   HG11   H  N N 468 
VAL   HG12   H  N N 469 
VAL   HG13   H  N N 470 
VAL   HG21   H  N N 471 
VAL   HG22   H  N N 472 
VAL   HG23   H  N N 473 
VAL   HXT    H  N N 474 
# 
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 
A1BEJ O1    C23    sing N N 1   
A1BEJ C23   C22    doub Y N 2   
A1BEJ C23   C24    sing Y N 3   
A1BEJ C22   C21    sing Y N 4   
A1BEJ C24   C25    doub Y N 5   
A1BEJ CL1   C10    sing N N 6   
A1BEJ C21   C9     sing N N 7   
A1BEJ C21   C30    doub Y N 8   
A1BEJ C10   C9     doub Y N 9   
A1BEJ C10   C11    sing Y N 10  
A1BEJ C9    C8     sing Y N 11  
A1BEJ C25   C30    sing Y N 12  
A1BEJ C25   C26    sing Y N 13  
A1BEJ C11   C12    doub Y N 14  
A1BEJ C8    F1     sing N N 15  
A1BEJ C8    C7     doub Y N 16  
A1BEJ C30   C29    sing Y N 17  
A1BEJ C1    N1     sing N N 18  
A1BEJ C12   C7     sing Y N 19  
A1BEJ C12   C13    sing Y N 20  
A1BEJ N1    C2     sing N N 21  
A1BEJ N1    C3     sing N N 22  
A1BEJ C7    N3     sing Y N 23  
A1BEJ C26   C27    doub Y N 24  
A1BEJ C13   N5     sing Y N 25  
A1BEJ C13   C14    doub Y N 26  
A1BEJ N3    C6     doub Y N 27  
A1BEJ N5    C16    sing N N 28  
A1BEJ N5    C15    sing Y N 29  
A1BEJ C16   C19    sing N N 30  
A1BEJ C16   C17    sing N N 31  
A1BEJ C6    C14    sing Y N 32  
A1BEJ C6    N2     sing N N 33  
A1BEJ C14   N4     sing Y N 34  
A1BEJ C29   C28    doub Y N 35  
A1BEJ C15   N4     doub Y N 36  
A1BEJ C5    C3     sing N N 37  
A1BEJ C5    N2     sing N N 38  
A1BEJ C3    C4     sing N N 39  
A1BEJ N2    C4     sing N N 40  
A1BEJ C27   C28    sing Y N 41  
A1BEJ C19   C20    sing N N 42  
A1BEJ C19   N6     sing N N 43  
A1BEJ C20   C17    sing N N 44  
A1BEJ C17   C18    sing N N 45  
A1BEJ N6    C18    sing N N 46  
A1BEJ C1    H1     sing N N 47  
A1BEJ C1    H2     sing N N 48  
A1BEJ C1    H3     sing N N 49  
A1BEJ O1    H4     sing N N 50  
A1BEJ C2    H5     sing N N 51  
A1BEJ C2    H6     sing N N 52  
A1BEJ C2    H7     sing N N 53  
A1BEJ C3    H8     sing N N 54  
A1BEJ C4    H10    sing N N 55  
A1BEJ C4    H11    sing N N 56  
A1BEJ C5    H12    sing N N 57  
A1BEJ C5    H13    sing N N 58  
A1BEJ C11   H14    sing N N 59  
A1BEJ C15   H15    sing N N 60  
A1BEJ C16   H16    sing N N 61  
A1BEJ C17   H17    sing N N 62  
A1BEJ C18   H18    sing N N 63  
A1BEJ C18   H19    sing N N 64  
A1BEJ N6    H20    sing N N 65  
A1BEJ C19   H22    sing N N 66  
A1BEJ C20   H23    sing N N 67  
A1BEJ C20   H24    sing N N 68  
A1BEJ C22   H25    sing N N 69  
A1BEJ C24   H26    sing N N 70  
A1BEJ C26   H27    sing N N 71  
A1BEJ C27   H28    sing N N 72  
A1BEJ C28   H29    sing N N 73  
A1BEJ C29   H30    sing N N 74  
ALA   N     CA     sing N N 75  
ALA   N     H      sing N N 76  
ALA   N     H2     sing N N 77  
ALA   CA    C      sing N N 78  
ALA   CA    CB     sing N N 79  
ALA   CA    HA     sing N N 80  
ALA   C     O      doub N N 81  
ALA   C     OXT    sing N N 82  
ALA   CB    HB1    sing N N 83  
ALA   CB    HB2    sing N N 84  
ALA   CB    HB3    sing N N 85  
ALA   OXT   HXT    sing N N 86  
ARG   N     CA     sing N N 87  
ARG   N     H      sing N N 88  
ARG   N     H2     sing N N 89  
ARG   CA    C      sing N N 90  
ARG   CA    CB     sing N N 91  
ARG   CA    HA     sing N N 92  
ARG   C     O      doub N N 93  
ARG   C     OXT    sing N N 94  
ARG   CB    CG     sing N N 95  
ARG   CB    HB2    sing N N 96  
ARG   CB    HB3    sing N N 97  
ARG   CG    CD     sing N N 98  
ARG   CG    HG2    sing N N 99  
ARG   CG    HG3    sing N N 100 
ARG   CD    NE     sing N N 101 
ARG   CD    HD2    sing N N 102 
ARG   CD    HD3    sing N N 103 
ARG   NE    CZ     sing N N 104 
ARG   NE    HE     sing N N 105 
ARG   CZ    NH1    sing N N 106 
ARG   CZ    NH2    doub N N 107 
ARG   NH1   HH11   sing N N 108 
ARG   NH1   HH12   sing N N 109 
ARG   NH2   HH21   sing N N 110 
ARG   NH2   HH22   sing N N 111 
ARG   OXT   HXT    sing N N 112 
ASN   N     CA     sing N N 113 
ASN   N     H      sing N N 114 
ASN   N     H2     sing N N 115 
ASN   CA    C      sing N N 116 
ASN   CA    CB     sing N N 117 
ASN   CA    HA     sing N N 118 
ASN   C     O      doub N N 119 
ASN   C     OXT    sing N N 120 
ASN   CB    CG     sing N N 121 
ASN   CB    HB2    sing N N 122 
ASN   CB    HB3    sing N N 123 
ASN   CG    OD1    doub N N 124 
ASN   CG    ND2    sing N N 125 
ASN   ND2   HD21   sing N N 126 
ASN   ND2   HD22   sing N N 127 
ASN   OXT   HXT    sing N N 128 
ASP   N     CA     sing N N 129 
ASP   N     H      sing N N 130 
ASP   N     H2     sing N N 131 
ASP   CA    C      sing N N 132 
ASP   CA    CB     sing N N 133 
ASP   CA    HA     sing N N 134 
ASP   C     O      doub N N 135 
ASP   C     OXT    sing N N 136 
ASP   CB    CG     sing N N 137 
ASP   CB    HB2    sing N N 138 
ASP   CB    HB3    sing N N 139 
ASP   CG    OD1    doub N N 140 
ASP   CG    OD2    sing N N 141 
ASP   OD2   HD2    sing N N 142 
ASP   OXT   HXT    sing N N 143 
CYS   N     CA     sing N N 144 
CYS   N     H      sing N N 145 
CYS   N     H2     sing N N 146 
CYS   CA    C      sing N N 147 
CYS   CA    CB     sing N N 148 
CYS   CA    HA     sing N N 149 
CYS   C     O      doub N N 150 
CYS   C     OXT    sing N N 151 
CYS   CB    SG     sing N N 152 
CYS   CB    HB2    sing N N 153 
CYS   CB    HB3    sing N N 154 
CYS   SG    HG     sing N N 155 
CYS   OXT   HXT    sing N N 156 
GDP   PB    O1B    doub N N 157 
GDP   PB    O2B    sing N N 158 
GDP   PB    O3B    sing N N 159 
GDP   PB    O3A    sing N N 160 
GDP   O2B   HOB2   sing N N 161 
GDP   O3B   HOB3   sing N N 162 
GDP   O3A   PA     sing N N 163 
GDP   PA    O1A    doub N N 164 
GDP   PA    O2A    sing N N 165 
GDP   PA    "O5'"  sing N N 166 
GDP   O2A   HOA2   sing N N 167 
GDP   "O5'" "C5'"  sing N N 168 
GDP   "C5'" "C4'"  sing N N 169 
GDP   "C5'" "H5'"  sing N N 170 
GDP   "C5'" "H5''" sing N N 171 
GDP   "C4'" "O4'"  sing N N 172 
GDP   "C4'" "C3'"  sing N N 173 
GDP   "C4'" "H4'"  sing N N 174 
GDP   "O4'" "C1'"  sing N N 175 
GDP   "C3'" "O3'"  sing N N 176 
GDP   "C3'" "C2'"  sing N N 177 
GDP   "C3'" "H3'"  sing N N 178 
GDP   "O3'" "HO3'" sing N N 179 
GDP   "C2'" "O2'"  sing N N 180 
GDP   "C2'" "C1'"  sing N N 181 
GDP   "C2'" "H2'"  sing N N 182 
GDP   "O2'" "HO2'" sing N N 183 
GDP   "C1'" N9     sing N N 184 
GDP   "C1'" "H1'"  sing N N 185 
GDP   N9    C8     sing Y N 186 
GDP   N9    C4     sing Y N 187 
GDP   C8    N7     doub Y N 188 
GDP   C8    H8     sing N N 189 
GDP   N7    C5     sing Y N 190 
GDP   C5    C6     sing N N 191 
GDP   C5    C4     doub Y N 192 
GDP   C6    O6     doub N N 193 
GDP   C6    N1     sing N N 194 
GDP   N1    C2     sing N N 195 
GDP   N1    HN1    sing N N 196 
GDP   C2    N2     sing N N 197 
GDP   C2    N3     doub N N 198 
GDP   N2    HN21   sing N N 199 
GDP   N2    HN22   sing N N 200 
GDP   N3    C4     sing N N 201 
GLN   N     CA     sing N N 202 
GLN   N     H      sing N N 203 
GLN   N     H2     sing N N 204 
GLN   CA    C      sing N N 205 
GLN   CA    CB     sing N N 206 
GLN   CA    HA     sing N N 207 
GLN   C     O      doub N N 208 
GLN   C     OXT    sing N N 209 
GLN   CB    CG     sing N N 210 
GLN   CB    HB2    sing N N 211 
GLN   CB    HB3    sing N N 212 
GLN   CG    CD     sing N N 213 
GLN   CG    HG2    sing N N 214 
GLN   CG    HG3    sing N N 215 
GLN   CD    OE1    doub N N 216 
GLN   CD    NE2    sing N N 217 
GLN   NE2   HE21   sing N N 218 
GLN   NE2   HE22   sing N N 219 
GLN   OXT   HXT    sing N N 220 
GLU   N     CA     sing N N 221 
GLU   N     H      sing N N 222 
GLU   N     H2     sing N N 223 
GLU   CA    C      sing N N 224 
GLU   CA    CB     sing N N 225 
GLU   CA    HA     sing N N 226 
GLU   C     O      doub N N 227 
GLU   C     OXT    sing N N 228 
GLU   CB    CG     sing N N 229 
GLU   CB    HB2    sing N N 230 
GLU   CB    HB3    sing N N 231 
GLU   CG    CD     sing N N 232 
GLU   CG    HG2    sing N N 233 
GLU   CG    HG3    sing N N 234 
GLU   CD    OE1    doub N N 235 
GLU   CD    OE2    sing N N 236 
GLU   OE2   HE2    sing N N 237 
GLU   OXT   HXT    sing N N 238 
GLY   N     CA     sing N N 239 
GLY   N     H      sing N N 240 
GLY   N     H2     sing N N 241 
GLY   CA    C      sing N N 242 
GLY   CA    HA2    sing N N 243 
GLY   CA    HA3    sing N N 244 
GLY   C     O      doub N N 245 
GLY   C     OXT    sing N N 246 
GLY   OXT   HXT    sing N N 247 
HIS   N     CA     sing N N 248 
HIS   N     H      sing N N 249 
HIS   N     H2     sing N N 250 
HIS   CA    C      sing N N 251 
HIS   CA    CB     sing N N 252 
HIS   CA    HA     sing N N 253 
HIS   C     O      doub N N 254 
HIS   C     OXT    sing N N 255 
HIS   CB    CG     sing N N 256 
HIS   CB    HB2    sing N N 257 
HIS   CB    HB3    sing N N 258 
HIS   CG    ND1    sing Y N 259 
HIS   CG    CD2    doub Y N 260 
HIS   ND1   CE1    doub Y N 261 
HIS   ND1   HD1    sing N N 262 
HIS   CD2   NE2    sing Y N 263 
HIS   CD2   HD2    sing N N 264 
HIS   CE1   NE2    sing Y N 265 
HIS   CE1   HE1    sing N N 266 
HIS   NE2   HE2    sing N N 267 
HIS   OXT   HXT    sing N N 268 
HOH   O     H1     sing N N 269 
HOH   O     H2     sing N N 270 
ILE   N     CA     sing N N 271 
ILE   N     H      sing N N 272 
ILE   N     H2     sing N N 273 
ILE   CA    C      sing N N 274 
ILE   CA    CB     sing N N 275 
ILE   CA    HA     sing N N 276 
ILE   C     O      doub N N 277 
ILE   C     OXT    sing N N 278 
ILE   CB    CG1    sing N N 279 
ILE   CB    CG2    sing N N 280 
ILE   CB    HB     sing N N 281 
ILE   CG1   CD1    sing N N 282 
ILE   CG1   HG12   sing N N 283 
ILE   CG1   HG13   sing N N 284 
ILE   CG2   HG21   sing N N 285 
ILE   CG2   HG22   sing N N 286 
ILE   CG2   HG23   sing N N 287 
ILE   CD1   HD11   sing N N 288 
ILE   CD1   HD12   sing N N 289 
ILE   CD1   HD13   sing N N 290 
ILE   OXT   HXT    sing N N 291 
LEU   N     CA     sing N N 292 
LEU   N     H      sing N N 293 
LEU   N     H2     sing N N 294 
LEU   CA    C      sing N N 295 
LEU   CA    CB     sing N N 296 
LEU   CA    HA     sing N N 297 
LEU   C     O      doub N N 298 
LEU   C     OXT    sing N N 299 
LEU   CB    CG     sing N N 300 
LEU   CB    HB2    sing N N 301 
LEU   CB    HB3    sing N N 302 
LEU   CG    CD1    sing N N 303 
LEU   CG    CD2    sing N N 304 
LEU   CG    HG     sing N N 305 
LEU   CD1   HD11   sing N N 306 
LEU   CD1   HD12   sing N N 307 
LEU   CD1   HD13   sing N N 308 
LEU   CD2   HD21   sing N N 309 
LEU   CD2   HD22   sing N N 310 
LEU   CD2   HD23   sing N N 311 
LEU   OXT   HXT    sing N N 312 
LYS   N     CA     sing N N 313 
LYS   N     H      sing N N 314 
LYS   N     H2     sing N N 315 
LYS   CA    C      sing N N 316 
LYS   CA    CB     sing N N 317 
LYS   CA    HA     sing N N 318 
LYS   C     O      doub N N 319 
LYS   C     OXT    sing N N 320 
LYS   CB    CG     sing N N 321 
LYS   CB    HB2    sing N N 322 
LYS   CB    HB3    sing N N 323 
LYS   CG    CD     sing N N 324 
LYS   CG    HG2    sing N N 325 
LYS   CG    HG3    sing N N 326 
LYS   CD    CE     sing N N 327 
LYS   CD    HD2    sing N N 328 
LYS   CD    HD3    sing N N 329 
LYS   CE    NZ     sing N N 330 
LYS   CE    HE2    sing N N 331 
LYS   CE    HE3    sing N N 332 
LYS   NZ    HZ1    sing N N 333 
LYS   NZ    HZ2    sing N N 334 
LYS   NZ    HZ3    sing N N 335 
LYS   OXT   HXT    sing N N 336 
MET   N     CA     sing N N 337 
MET   N     H      sing N N 338 
MET   N     H2     sing N N 339 
MET   CA    C      sing N N 340 
MET   CA    CB     sing N N 341 
MET   CA    HA     sing N N 342 
MET   C     O      doub N N 343 
MET   C     OXT    sing N N 344 
MET   CB    CG     sing N N 345 
MET   CB    HB2    sing N N 346 
MET   CB    HB3    sing N N 347 
MET   CG    SD     sing N N 348 
MET   CG    HG2    sing N N 349 
MET   CG    HG3    sing N N 350 
MET   SD    CE     sing N N 351 
MET   CE    HE1    sing N N 352 
MET   CE    HE2    sing N N 353 
MET   CE    HE3    sing N N 354 
MET   OXT   HXT    sing N N 355 
PHE   N     CA     sing N N 356 
PHE   N     H      sing N N 357 
PHE   N     H2     sing N N 358 
PHE   CA    C      sing N N 359 
PHE   CA    CB     sing N N 360 
PHE   CA    HA     sing N N 361 
PHE   C     O      doub N N 362 
PHE   C     OXT    sing N N 363 
PHE   CB    CG     sing N N 364 
PHE   CB    HB2    sing N N 365 
PHE   CB    HB3    sing N N 366 
PHE   CG    CD1    doub Y N 367 
PHE   CG    CD2    sing Y N 368 
PHE   CD1   CE1    sing Y N 369 
PHE   CD1   HD1    sing N N 370 
PHE   CD2   CE2    doub Y N 371 
PHE   CD2   HD2    sing N N 372 
PHE   CE1   CZ     doub Y N 373 
PHE   CE1   HE1    sing N N 374 
PHE   CE2   CZ     sing Y N 375 
PHE   CE2   HE2    sing N N 376 
PHE   CZ    HZ     sing N N 377 
PHE   OXT   HXT    sing N N 378 
PRO   N     CA     sing N N 379 
PRO   N     CD     sing N N 380 
PRO   N     H      sing N N 381 
PRO   CA    C      sing N N 382 
PRO   CA    CB     sing N N 383 
PRO   CA    HA     sing N N 384 
PRO   C     O      doub N N 385 
PRO   C     OXT    sing N N 386 
PRO   CB    CG     sing N N 387 
PRO   CB    HB2    sing N N 388 
PRO   CB    HB3    sing N N 389 
PRO   CG    CD     sing N N 390 
PRO   CG    HG2    sing N N 391 
PRO   CG    HG3    sing N N 392 
PRO   CD    HD2    sing N N 393 
PRO   CD    HD3    sing N N 394 
PRO   OXT   HXT    sing N N 395 
SER   N     CA     sing N N 396 
SER   N     H      sing N N 397 
SER   N     H2     sing N N 398 
SER   CA    C      sing N N 399 
SER   CA    CB     sing N N 400 
SER   CA    HA     sing N N 401 
SER   C     O      doub N N 402 
SER   C     OXT    sing N N 403 
SER   CB    OG     sing N N 404 
SER   CB    HB2    sing N N 405 
SER   CB    HB3    sing N N 406 
SER   OG    HG     sing N N 407 
SER   OXT   HXT    sing N N 408 
THR   N     CA     sing N N 409 
THR   N     H      sing N N 410 
THR   N     H2     sing N N 411 
THR   CA    C      sing N N 412 
THR   CA    CB     sing N N 413 
THR   CA    HA     sing N N 414 
THR   C     O      doub N N 415 
THR   C     OXT    sing N N 416 
THR   CB    OG1    sing N N 417 
THR   CB    CG2    sing N N 418 
THR   CB    HB     sing N N 419 
THR   OG1   HG1    sing N N 420 
THR   CG2   HG21   sing N N 421 
THR   CG2   HG22   sing N N 422 
THR   CG2   HG23   sing N N 423 
THR   OXT   HXT    sing N N 424 
TYR   N     CA     sing N N 425 
TYR   N     H      sing N N 426 
TYR   N     H2     sing N N 427 
TYR   CA    C      sing N N 428 
TYR   CA    CB     sing N N 429 
TYR   CA    HA     sing N N 430 
TYR   C     O      doub N N 431 
TYR   C     OXT    sing N N 432 
TYR   CB    CG     sing N N 433 
TYR   CB    HB2    sing N N 434 
TYR   CB    HB3    sing N N 435 
TYR   CG    CD1    doub Y N 436 
TYR   CG    CD2    sing Y N 437 
TYR   CD1   CE1    sing Y N 438 
TYR   CD1   HD1    sing N N 439 
TYR   CD2   CE2    doub Y N 440 
TYR   CD2   HD2    sing N N 441 
TYR   CE1   CZ     doub Y N 442 
TYR   CE1   HE1    sing N N 443 
TYR   CE2   CZ     sing Y N 444 
TYR   CE2   HE2    sing N N 445 
TYR   CZ    OH     sing N N 446 
TYR   OH    HH     sing N N 447 
TYR   OXT   HXT    sing N N 448 
VAL   N     CA     sing N N 449 
VAL   N     H      sing N N 450 
VAL   N     H2     sing N N 451 
VAL   CA    C      sing N N 452 
VAL   CA    CB     sing N N 453 
VAL   CA    HA     sing N N 454 
VAL   C     O      doub N N 455 
VAL   C     OXT    sing N N 456 
VAL   CB    CG1    sing N N 457 
VAL   CB    CG2    sing N N 458 
VAL   CB    HB     sing N N 459 
VAL   CG1   HG11   sing N N 460 
VAL   CG1   HG12   sing N N 461 
VAL   CG1   HG13   sing N N 462 
VAL   CG2   HG21   sing N N 463 
VAL   CG2   HG22   sing N N 464 
VAL   CG2   HG23   sing N N 465 
VAL   OXT   HXT    sing N N 466 
# 
_pdbx_audit_support.funding_organization   'Other private' 
_pdbx_audit_support.country                'United States' 
_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   6ZLI 
_pdbx_initial_refinement_model.details          ? 
# 
_atom_sites.entry_id                    9E5F 
_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]   0.024891 
_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]   0.018646 
_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]   0.011086 
_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 -9.3442  
F  9  9  3.5395  10.2825 2.6414 4.2944  1.5171 0.2615  1.0244 26.1476 0.3043   
H  1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030   
MG 12 12 5.4265  2.8275  2.1759 79.2611 1.2283 0.3808  2.3099 7.1937  0.9350   
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   
P  15 15 6.4348  1.9067  4.1793 27.1570 1.7801 0.5260  1.4909 68.1645 1.2679   
S  16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 1.0496   
# 
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_site.pdbx_tls_group_id 
ATOM   1    N  N     . GLY   A 1 1   ? -1.919 -17.957 -17.213 1   46.608 ? 0   GLY   A N     1 ? 1 
ATOM   2    C  CA    . GLY   A 1 1   ? -0.93  -18.876 -16.604 1   45.053 ? 0   GLY   A CA    1 ? 1 
ATOM   3    C  C     . GLY   A 1 1   ? -0.219 -18.243 -15.412 1   41.43  ? 0   GLY   A C     1 ? 1 
ATOM   4    O  O     . GLY   A 1 1   ? -0.706 -17.259 -14.845 1   41.714 ? 0   GLY   A O     1 ? 1 
ATOM   5    N  N     . MET   A 1 2   ? 0.932  -18.816 -15.046 1   38.847 ? 1   MET   A N     1 ? 1 
ATOM   6    C  CA    . MET   A 1 2   ? 1.805  -18.232 -14.037 1   34.212 ? 1   MET   A CA    1 ? 1 
ATOM   7    C  C     . MET   A 1 2   ? 2.219  -16.822 -14.464 1   29.466 ? 1   MET   A C     1 ? 1 
ATOM   8    O  O     . MET   A 1 2   ? 2.593  -16.639 -15.621 1   29.45  ? 1   MET   A O     1 ? 1 
ATOM   9    C  CB    . MET   A 1 2   ? 3.084  -19.06  -13.889 1   34.683 ? 1   MET   A CB    1 ? 1 
ATOM   10   C  CG    . MET   A 1 2   ? 3.91   -18.642 -12.726 1   32.426 ? 1   MET   A CG    1 ? 1 
ATOM   11   S  SD    . MET   A 1 2   ? 5.328  -19.724 -12.506 1   31.687 ? 1   MET   A SD    1 ? 1 
ATOM   12   C  CE    . MET   A 1 2   ? 4.588  -21.266 -11.993 1   34.306 ? 1   MET   A CE    1 ? 1 
ATOM   13   N  N     . THR   A 1 3   ? 2.165  -15.844 -13.545 1   26.443 ? 2   THR   A N     1 ? 1 
ATOM   14   C  CA    . THR   A 1 3   ? 2.514  -14.468 -13.902 1   24.562 ? 2   THR   A CA    1 ? 1 
ATOM   15   C  C     . THR   A 1 3   ? 4.016  -14.363 -14.215 1   21.604 ? 2   THR   A C     1 ? 1 
ATOM   16   O  O     . THR   A 1 3   ? 4.862  -14.839 -13.475 1   21.173 ? 2   THR   A O     1 ? 1 
ATOM   17   C  CB    . THR   A 1 3   ? 2.143  -13.468 -12.806 1   26.298 ? 2   THR   A CB    1 ? 1 
ATOM   18   O  OG1   . THR   A 1 3   ? 0.747  -13.662 -12.599 1   30.33  ? 2   THR   A OG1   1 ? 1 
ATOM   19   C  CG2   . THR   A 1 3   ? 2.336  -12.015 -13.208 1   25.913 ? 2   THR   A CG2   1 ? 1 
ATOM   20   N  N     . GLU   A 1 4   ? 4.3    -13.752 -15.346 1   20.928 ? 3   GLU   A N     1 ? 1 
ATOM   21   C  CA    . GLU   A 1 4   ? 5.641  -13.396 -15.756 1   20.118 ? 3   GLU   A CA    1 ? 1 
ATOM   22   C  C     . GLU   A 1 4   ? 5.79   -11.896 -15.576 1   18.96  ? 3   GLU   A C     1 ? 1 
ATOM   23   O  O     . GLU   A 1 4   ? 4.917  -11.154 -16.002 1   20.459 ? 3   GLU   A O     1 ? 1 
ATOM   24   C  CB    . GLU   A 1 4   ? 5.84   -13.835 -17.209 1   22.774 ? 3   GLU   A CB    1 ? 1 
ATOM   25   C  CG    . GLU   A 1 4   ? 7.255  -13.589 -17.727 1   24.774 ? 3   GLU   A CG    1 ? 1 
ATOM   26   C  CD    . GLU   A 1 4   ? 7.418  -13.708 -19.21  1   30.078 ? 3   GLU   A CD    1 ? 1 
ATOM   27   O  OE1   . GLU   A 1 4   ? 6.597  -14.395 -19.907 1   36.76  ? 3   GLU   A OE1   1 ? 1 
ATOM   28   O  OE2   . GLU   A 1 4   ? 8.34   -12.944 -19.648 1   31.923 ? 3   GLU   A OE2   1 ? 1 
ATOM   29   N  N     . TYR   A 1 5   ? 6.977  -11.496 -15.128 1   17.278 ? 4   TYR   A N     1 ? 1 
ATOM   30   C  CA    . TYR   A 1 5   ? 7.368  -10.107 -15.02  1   15.965 ? 4   TYR   A CA    1 ? 1 
ATOM   31   C  C     . TYR   A 1 5   ? 8.615  -9.912  -15.876 1   14.999 ? 4   TYR   A C     1 ? 1 
ATOM   32   O  O     . TYR   A 1 5   ? 9.634  -10.542 -15.616 1   16.517 ? 4   TYR   A O     1 ? 1 
ATOM   33   C  CB    . TYR   A 1 5   ? 7.679  -9.741  -13.574 1   15.768 ? 4   TYR   A CB    1 ? 1 
ATOM   34   C  CG    . TYR   A 1 5   ? 6.504  -9.827  -12.619 1   15.955 ? 4   TYR   A CG    1 ? 1 
ATOM   35   C  CD1   . TYR   A 1 5   ? 5.636  -8.782  -12.479 1   17.599 ? 4   TYR   A CD1   1 ? 1 
ATOM   36   C  CD2   . TYR   A 1 5   ? 6.265  -10.946 -11.83  1   17.427 ? 4   TYR   A CD2   1 ? 1 
ATOM   37   C  CE1   . TYR   A 1 5   ? 4.545  -8.844  -11.626 1   18.551 ? 4   TYR   A CE1   1 ? 1 
ATOM   38   C  CE2   . TYR   A 1 5   ? 5.163  -11.025 -10.994 1   18.377 ? 4   TYR   A CE2   1 ? 1 
ATOM   39   C  CZ    . TYR   A 1 5   ? 4.302  -9.966  -10.866 1   18.949 ? 4   TYR   A CZ    1 ? 1 
ATOM   40   O  OH    . TYR   A 1 5   ? 3.233  -10.08  -10.03  1   20.518 ? 4   TYR   A OH    1 ? 1 
ATOM   41   N  N     . LYS   A 1 6   ? 8.544  -8.967  -16.826 1   15.251 ? 5   LYS   A N     1 ? 1 
ATOM   42   C  CA    . LYS   A 1 6   ? 9.666  -8.652  -17.704 1   15.4   ? 5   LYS   A CA    1 ? 1 
ATOM   43   C  C     . LYS   A 1 6   ? 10.427 -7.461  -17.106 1   13.306 ? 5   LYS   A C     1 ? 1 
ATOM   44   O  O     . LYS   A 1 6   ? 9.901  -6.335  -17.092 1   13.598 ? 5   LYS   A O     1 ? 1 
ATOM   45   C  CB    . LYS   A 1 6   ? 9.201  -8.325  -19.118 1   17.951 ? 5   LYS   A CB    1 ? 1 
ATOM   46   C  CG    . LYS   A 1 6   ? 8.533  -9.509  -19.832 1   22.942 ? 5   LYS   A CG    1 ? 1 
ATOM   47   C  CD    . LYS   A 1 6   ? 7.818  -9.139  -21.123 1   27.499 ? 5   LYS   A CD    1 ? 1 
ATOM   48   C  CE    . LYS   A 1 6   ? 7.596  -10.19  -22.158 1   32.606 ? 5   LYS   A CE    1 ? 1 
ATOM   49   N  NZ    . LYS   A 1 6   ? 7.365  -11.523 -21.657 1   36.492 ? 5   LYS   A NZ    1 ? 1 
ATOM   50   N  N     . LEU   A 1 7   ? 11.609 -7.751  -16.558 1   11.75  ? 6   LEU   A N     1 ? 1 
ATOM   51   C  CA    . LEU   A 1 7   ? 12.422 -6.761  -15.875 1   11.024 ? 6   LEU   A CA    1 ? 1 
ATOM   52   C  C     . LEU   A 1 7   ? 13.629 -6.43   -16.734 1   11.284 ? 6   LEU   A C     1 ? 1 
ATOM   53   O  O     . LEU   A 1 7   ? 14.159 -7.325  -17.388 1   14.13  ? 6   LEU   A O     1 ? 1 
ATOM   54   C  CB    . LEU   A 1 7   ? 12.875 -7.304  -14.513 1   10.804 ? 6   LEU   A CB    1 ? 1 
ATOM   55   C  CG    . LEU   A 1 7   ? 11.809 -7.946  -13.618 1   11.522 ? 6   LEU   A CG    1 ? 1 
ATOM   56   C  CD1   . LEU   A 1 7   ? 12.413 -8.34   -12.275 1   12.202 ? 6   LEU   A CD1   1 ? 1 
ATOM   57   C  CD2   . LEU   A 1 7   ? 10.625 -7.008  -13.451 1   12.104 ? 6   LEU   A CD2   1 ? 1 
ATOM   58   N  N     . VAL   A 1 8   ? 14.001 -5.165  -16.79  1   10.059 ? 7   VAL   A N     1 ? 1 
ATOM   59   C  CA    . VAL   A 1 8   ? 15.138 -4.736  -17.587 1   9.743  ? 7   VAL   A CA    1 ? 1 
ATOM   60   C  C     . VAL   A 1 8   ? 16.101 -3.989  -16.672 1   9.201  ? 7   VAL   A C     1 ? 1 
ATOM   61   O  O     . VAL   A 1 8   ? 15.696 -3.088  -15.938 1   10.861 ? 7   VAL   A O     1 ? 1 
ATOM   62   C  CB    . VAL   A 1 8   ? 14.682 -3.823  -18.733 1   10.912 ? 7   VAL   A CB    1 ? 1 
ATOM   63   C  CG1   . VAL   A 1 8   ? 15.859 -3.377  -19.558 1   11.722 ? 7   VAL   A CG1   1 ? 1 
ATOM   64   C  CG2   . VAL   A 1 8   ? 13.643 -4.507  -19.585 1   12.649 ? 7   VAL   A CG2   1 ? 1 
ATOM   65   N  N     . VAL   A 1 9   ? 17.384 -4.376  -16.713 1   8.741  ? 8   VAL   A N     1 ? 1 
ATOM   66   C  CA    . VAL   A 1 9   ? 18.434 -3.775  -15.913 1   8.762  ? 8   VAL   A CA    1 ? 1 
ATOM   67   C  C     . VAL   A 1 9   ? 19.229 -2.822  -16.79  1   8.64   ? 8   VAL   A C     1 ? 1 
ATOM   68   O  O     . VAL   A 1 9   ? 19.837 -3.277  -17.754 1   9.776  ? 8   VAL   A O     1 ? 1 
ATOM   69   C  CB    . VAL   A 1 9   ? 19.329 -4.863  -15.306 1   9.427  ? 8   VAL   A CB    1 ? 1 
ATOM   70   C  CG1   . VAL   A 1 9   ? 20.305 -4.237  -14.332 1   9.992  ? 8   VAL   A CG1   1 ? 1 
ATOM   71   C  CG2   . VAL   A 1 9   ? 18.492 -5.947  -14.638 1   9.893  ? 8   VAL   A CG2   1 ? 1 
ATOM   72   N  N     . VAL   A 1 10  ? 19.188 -1.524  -16.447 1   8.697  ? 9   VAL   A N     1 ? 1 
ATOM   73   C  CA    . VAL   A 1 10  ? 19.841 -0.478  -17.216 1   8.623  ? 9   VAL   A CA    1 ? 1 
ATOM   74   C  C     . VAL   A 1 10  ? 20.823 0.271   -16.344 1   8.762  ? 9   VAL   A C     1 ? 1 
ATOM   75   O  O     . VAL   A 1 10  ? 20.749 0.263   -15.125 1   9.26   ? 9   VAL   A O     1 ? 1 
ATOM   76   C  CB    . VAL   A 1 10  ? 18.837 0.494   -17.861 1   10.039 ? 9   VAL   A CB    1 ? 1 
ATOM   77   C  CG1   . VAL   A 1 10  ? 17.87  -0.244  -18.781 1   11.563 ? 9   VAL   A CG1   1 ? 1 
ATOM   78   C  CG2   . VAL   A 1 10  ? 18.112 1.371   -16.843 1   11.091 ? 9   VAL   A CG2   1 ? 1 
ATOM   79   N  N     . GLY   A 1 11  ? 21.736 0.97    -17.027 1   8.975  ? 10  GLY   A N     1 ? 1 
ATOM   80   C  CA    . GLY   A 1 11  ? 22.764 1.731   -16.367 1   9.452  ? 10  GLY   A CA    1 ? 1 
ATOM   81   C  C     . GLY   A 1 11  ? 24.071 1.72    -17.151 1   9.883  ? 10  GLY   A C     1 ? 1 
ATOM   82   O  O     . GLY   A 1 11  ? 24.252 0.906   -18.07  1   10.418 ? 10  GLY   A O     1 ? 1 
ATOM   83   N  N     . ALA   A 1 12  ? 25.01  2.573   -16.743 1   10.479 ? 11  ALA   A N     1 ? 1 
ATOM   84   C  CA    . ALA   A 1 12  ? 26.293 2.704   -17.403 1   10.92  ? 11  ALA   A CA    1 ? 1 
ATOM   85   C  C     . ALA   A 1 12  ? 27.061 1.388   -17.386 1   11.08  ? 11  ALA   A C     1 ? 1 
ATOM   86   O  O     . ALA   A 1 12  ? 26.882 0.528   -16.515 1   11.057 ? 11  ALA   A O     1 ? 1 
ATOM   87   C  CB    . ALA   A 1 12  ? 27.095 3.782   -16.708 1   11.771 ? 11  ALA   A CB    1 ? 1 
ATOM   88   N  N     . ASP   A 1 13  ? 27.959 1.258   -18.343 1   12.406 ? 12  ASP   A N     1 ? 1 
ATOM   89   C  CA    . ASP   A 1 13  ? 28.919 0.167   -18.295 1   12.703 ? 12  ASP   A CA    1 ? 1 
ATOM   90   C  C     . ASP   A 1 13  ? 29.649 0.156   -16.941 1   12.773 ? 12  ASP   A C     1 ? 1 
ATOM   91   O  O     . ASP   A 1 13  ? 30.075 1.208   -16.451 1   14.354 ? 12  ASP   A O     1 ? 1 
ATOM   92   C  CB    . ASP   A 1 13  ? 29.972 0.307   -19.384 1   14.734 ? 12  ASP   A CB    1 ? 1 
ATOM   93   C  CG    . ASP   A 1 13  ? 29.526 0.01    -20.793 1   15.99  ? 12  ASP   A CG    1 ? 1 
ATOM   94   O  OD1   . ASP   A 1 13  ? 28.583 -0.777  -21.006 1   14.732 ? 12  ASP   A OD1   1 ? 1 
ATOM   95   O  OD2   . ASP   A 1 13  ? 30.223 0.48    -21.688 1   21.608 ? 12  ASP   A OD2   1 ? 1 
ATOM   96   N  N     . GLY   A 1 14  ? 29.87  -1.038  -16.401 1   12.068 ? 13  GLY   A N     1 ? 1 
ATOM   97   C  CA    . GLY   A 1 14  ? 30.703 -1.22   -15.231 1   12.609 ? 13  GLY   A CA    1 ? 1 
ATOM   98   C  C     . GLY   A 1 14  ? 30.024 -1.038  -13.882 1   12.126 ? 13  GLY   A C     1 ? 1 
ATOM   99   O  O     . GLY   A 1 14  ? 30.678 -1.202  -12.871 1   14.354 ? 13  GLY   A O     1 ? 1 
ATOM   100  N  N     . VAL   A 1 15  ? 28.733 -0.771  -13.854 1   11.213 ? 14  VAL   A N     1 ? 1 
ATOM   101  C  CA    . VAL   A 1 15  ? 28.046 -0.534  -12.605 1   10.637 ? 14  VAL   A CA    1 ? 1 
ATOM   102  C  C     . VAL   A 1 15  ? 27.721 -1.816  -11.855 1   10.281 ? 14  VAL   A C     1 ? 1 
ATOM   103  O  O     . VAL   A 1 15  ? 27.475 -1.742  -10.637 1   11.34  ? 14  VAL   A O     1 ? 1 
ATOM   104  C  CB    . VAL   A 1 15  ? 26.788 0.346   -12.734 1   10.15  ? 14  VAL   A CB    1 ? 1 
ATOM   105  C  CG1   . VAL   A 1 15  ? 27.146 1.714   -13.3   1   11.339 ? 14  VAL   A CG1   1 ? 1 
ATOM   106  C  CG2   . VAL   A 1 15  ? 25.695 -0.341  -13.533 1   9.973  ? 14  VAL   A CG2   1 ? 1 
ATOM   107  N  N     . GLY   A 1 16  ? 27.701 -2.96   -12.54  1   10.777 ? 15  GLY   A N     1 ? 1 
ATOM   108  C  CA    . GLY   A 1 16  ? 27.377 -4.244  -11.948 1   10.98  ? 15  GLY   A CA    1 ? 1 
ATOM   109  C  C     . GLY   A 1 16  ? 26.051 -4.839  -12.405 1   10.477 ? 15  GLY   A C     1 ? 1 
ATOM   110  O  O     . GLY   A 1 16  ? 25.526 -5.677  -11.685 1   11.086 ? 15  GLY   A O     1 ? 1 
ATOM   111  N  N     . LYS   A 1 17  ? 25.535 -4.459  -13.587 1   10.43  ? 16  LYS   A N     1 ? 1 
ATOM   112  C  CA    . LYS   A 1 17  ? 24.302 -5.033  -14.076 1   10.006 ? 16  LYS   A CA    1 ? 1 
ATOM   113  C  C     . LYS   A 1 17  ? 24.401 -6.542  -14.232 1   10.108 ? 16  LYS   A C     1 ? 1 
ATOM   114  O  O     . LYS   A 1 17  ? 23.523 -7.287  -13.789 1   10.702 ? 16  LYS   A O     1 ? 1 
ATOM   115  C  CB    . LYS   A 1 17  ? 23.856 -4.386  -15.373 1   9.501  ? 16  LYS   A CB    1 ? 1 
ATOM   116  C  CG    . LYS   A 1 17  ? 23.676 -2.879  -15.273 1   9.425  ? 16  LYS   A CG    1 ? 1 
ATOM   117  C  CD    . LYS   A 1 17  ? 23.228 -2.217  -16.543 1   9.799  ? 16  LYS   A CD    1 ? 1 
ATOM   118  C  CE    . LYS   A 1 17  ? 24.146 -2.381  -17.726 1   10.385 ? 16  LYS   A CE    1 ? 1 
ATOM   119  N  NZ    . LYS   A 1 17  ? 25.476 -1.836  -17.489 1   10.501 ? 16  LYS   A NZ    1 ? 1 
ATOM   120  N  N     . SER   A 1 18  ? 25.464 -6.997  -14.857 1   10.679 ? 17  SER   A N     1 ? 1 
ATOM   121  C  CA    . SER   A 1 18  ? 25.659 -8.424  -15.071 1   11.673 ? 17  SER   A CA    1 ? 1 
ATOM   122  C  C     . SER   A 1 18  ? 25.878 -9.148  -13.742 1   11.93  ? 17  SER   A C     1 ? 1 
ATOM   123  O  O     . SER   A 1 18  ? 25.247 -10.179 -13.49  1   13.075 ? 17  SER   A O     1 ? 1 
ATOM   124  C  CB    . SER   A 1 18  ? 26.773 -8.711  -16.02  1   12.468 ? 17  SER   A CB    1 ? 1 
ATOM   125  O  OG    . SER   A 1 18  ? 26.491 -8.202  -17.323 1   12.384 ? 17  SER   A OG    1 ? 1 
ATOM   126  N  N     . ALA   A 1 19  ? 26.685 -8.56   -12.869 1   12.136 ? 18  ALA   A N     1 ? 1 
ATOM   127  C  CA    . ALA   A 1 19  ? 26.947 -9.209  -11.584 1   12.412 ? 18  ALA   A CA    1 ? 1 
ATOM   128  C  C     . ALA   A 1 19  ? 25.654 -9.329  -10.755 1   11.517 ? 18  ALA   A C     1 ? 1 
ATOM   129  O  O     . ALA   A 1 19  ? 25.422 -10.338 -10.117 1   12.137 ? 18  ALA   A O     1 ? 1 
ATOM   130  C  CB    . ALA   A 1 19  ? 28.041 -8.438  -10.834 1   13.455 ? 18  ALA   A CB    1 ? 1 
ATOM   131  N  N     . LEU   A 1 20  ? 24.81  -8.288  -10.753 1   10.875 ? 19  LEU   A N     1 ? 1 
ATOM   132  C  CA    . LEU   A 1 20  ? 23.525 -8.36   -10.06  1   10.266 ? 19  LEU   A CA    1 ? 1 
ATOM   133  C  C     . LEU   A 1 20  ? 22.625 -9.434  -10.648 1   10.286 ? 19  LEU   A C     1 ? 1 
ATOM   134  O  O     . LEU   A 1 20  ? 22.004 -10.213 -9.92   1   10.831 ? 19  LEU   A O     1 ? 1 
ATOM   135  C  CB    . LEU   A 1 20  ? 22.816 -7.017  -10.123 1   10.366 ? 19  LEU   A CB    1 ? 1 
ATOM   136  C  CG    . LEU   A 1 20  ? 23.395 -5.926  -9.232  1   11.46  ? 19  LEU   A CG    1 ? 1 
ATOM   137  C  CD1   . LEU   A 1 20  ? 22.793 -4.588  -9.623  1   11.786 ? 19  LEU   A CD1   1 ? 1 
ATOM   138  C  CD2   . LEU   A 1 20  ? 23.156 -6.235  -7.744  1   12.798 ? 19  LEU   A CD2   1 ? 1 
ATOM   139  N  N     . THR   A 1 21  ? 22.543 -9.462  -11.975 1   11.036 ? 20  THR   A N     1 ? 1 
ATOM   140  C  CA    . THR   A 1 21  ? 21.699 -10.433 -12.662 1   11.4   ? 20  THR   A CA    1 ? 1 
ATOM   141  C  C     . THR   A 1 21  ? 22.153 -11.862 -12.351 1   12.15  ? 20  THR   A C     1 ? 1 
ATOM   142  O  O     . THR   A 1 21  ? 21.323 -12.722 -12.053 1   12.999 ? 20  THR   A O     1 ? 1 
ATOM   143  C  CB    . THR   A 1 21  ? 21.688 -10.15  -14.171 1   12.349 ? 20  THR   A CB    1 ? 1 
ATOM   144  O  OG1   . THR   A 1 21  ? 21.171 -8.846  -14.439 1   12.941 ? 20  THR   A OG1   1 ? 1 
ATOM   145  C  CG2   . THR   A 1 21  ? 20.834 -11.188 -14.883 1   13.486 ? 20  THR   A CG2   1 ? 1 
ATOM   146  N  N     . ILE   A 1 22  ? 23.467 -12.106 -12.465 1   13.024 ? 21  ILE   A N     1 ? 1 
ATOM   147  C  CA    . ILE   A 1 22  ? 24.012 -13.433 -12.187 1   15.363 ? 21  ILE   A CA    1 ? 1 
ATOM   148  C  C     . ILE   A 1 22  ? 23.856 -13.837 -10.738 1   14.934 ? 21  ILE   A C     1 ? 1 
ATOM   149  O  O     . ILE   A 1 22  ? 23.616 -15.022 -10.482 1   16.487 ? 21  ILE   A O     1 ? 1 
ATOM   150  C  CB    . ILE   A 1 22  ? 25.458 -13.554 -12.695 1   17.15  ? 21  ILE   A CB    1 ? 1 
ATOM   151  C  CG1   . ILE   A 1 22  ? 25.478 -13.37  -14.196 1   18.815 ? 21  ILE   A CG1   1 ? 1 
ATOM   152  C  CG2   . ILE   A 1 22  ? 26.144 -14.863 -12.307 1   19.212 ? 21  ILE   A CG2   1 ? 1 
ATOM   153  C  CD1   . ILE   A 1 22  ? 24.472 -14.192 -14.984 1   22.586 ? 21  ILE   A CD1   1 ? 1 
ATOM   154  N  N     . GLN   A 1 23  ? 23.93  -12.894 -9.802  1   13.717 ? 22  GLN   A N     1 ? 1 
ATOM   155  C  CA    . GLN   A 1 23  ? 23.616 -13.255 -8.425  1   14.5   ? 22  GLN   A CA    1 ? 1 
ATOM   156  C  C     . GLN   A 1 23  ? 22.18  -13.748 -8.322  1   14.48  ? 22  GLN   A C     1 ? 1 
ATOM   157  O  O     . GLN   A 1 23  ? 21.963 -14.78  -7.688  1   17.363 ? 22  GLN   A O     1 ? 1 
ATOM   158  C  CB    . GLN   A 1 23  ? 23.819 -12.059 -7.502  1   14.847 ? 22  GLN   A CB    1 ? 1 
ATOM   159  C  CG    . GLN   A 1 23  ? 25.226 -11.93  -6.93   1   15.637 ? 22  GLN   A CG    1 ? 1 
ATOM   160  C  CD    . GLN   A 1 23  ? 25.581 -12.944 -5.863  1   17.518 ? 22  GLN   A CD    1 ? 1 
ATOM   161  O  OE1   . GLN   A 1 23  ? 24.916 -13.968 -5.705  1   20.86  ? 22  GLN   A OE1   1 ? 1 
ATOM   162  N  NE2   . GLN   A 1 23  ? 26.608 -12.622 -5.106  1   17.929 ? 22  GLN   A NE2   1 ? 1 
ATOM   163  N  N     . LEU   A 1 24  ? 21.223 -13.044 -8.957  1   13.143 ? 23  LEU   A N     1 ? 1 
ATOM   164  C  CA    . LEU   A 1 24  ? 19.832 -13.485 -8.844  1   14.185 ? 23  LEU   A CA    1 ? 1 
ATOM   165  C  C     . LEU   A 1 24  ? 19.623 -14.848 -9.521  1   15.643 ? 23  LEU   A C     1 ? 1 
ATOM   166  O  O     . LEU   A 1 24  ? 18.932 -15.724 -9.014  1   18.19  ? 23  LEU   A O     1 ? 1 
ATOM   167  C  CB    . LEU   A 1 24  ? 18.926 -12.43  -9.466  1   14.76  ? 23  LEU   A CB    1 ? 1 
ATOM   168  C  CG    . LEU   A 1 24  ? 17.437 -12.657 -9.234  1   18.354 ? 23  LEU   A CG    1 ? 1 
ATOM   169  C  CD1   . LEU   A 1 24  ? 17.008 -12.259 -7.857  1   18.697 ? 23  LEU   A CD1   1 ? 1 
ATOM   170  C  CD2   . LEU   A 1 24  ? 16.678 -11.97  -10.191 1   19.855 ? 23  LEU   A CD2   1 ? 1 
ATOM   171  N  N     . ILE   A 1 25  ? 20.213 -15.038 -10.71  1   16.498 ? 24  ILE   A N     1 ? 1 
ATOM   172  C  CA    . ILE   A 1 25  ? 19.901 -16.193 -11.536 1   19.747 ? 24  ILE   A CA    1 ? 1 
ATOM   173  C  C     . ILE   A 1 25  ? 20.691 -17.417 -11.064 1   23.08  ? 24  ILE   A C     1 ? 1 
ATOM   174  O  O     . ILE   A 1 25  ? 20.139 -18.526 -11.059 1   27.666 ? 24  ILE   A O     1 ? 1 
ATOM   175  C  CB    . ILE   A 1 25  ? 20.144 -15.855 -13.015 1   21.389 ? 24  ILE   A CB    1 ? 1 
ATOM   176  C  CG1   . ILE   A 1 25  ? 19.239 -14.695 -13.458 1   21.179 ? 24  ILE   A CG1   1 ? 1 
ATOM   177  C  CG2   . ILE   A 1 25  ? 19.932 -17.089 -13.889 1   25.494 ? 24  ILE   A CG2   1 ? 1 
ATOM   178  C  CD1   . ILE   A 1 25  ? 17.757 -14.963 -13.448 1   21.968 ? 24  ILE   A CD1   1 ? 1 
ATOM   179  N  N     . GLN   A 1 26  ? 21.987 -17.227 -10.745 1   24.288 ? 25  GLN   A N     1 ? 1 
ATOM   180  C  CA    . GLN   A 1 26  ? 22.923 -18.347 -10.599 1   27.926 ? 25  GLN   A CA    1 ? 1 
ATOM   181  C  C     . GLN   A 1 26  ? 23.55  -18.354 -9.199  1   30.658 ? 25  GLN   A C     1 ? 1 
ATOM   182  O  O     . GLN   A 1 26  ? 24.319 -19.277 -8.936  1   35.988 ? 25  GLN   A O     1 ? 1 
ATOM   183  C  CB    . GLN   A 1 26  ? 23.929 -18.455 -11.78  1   31.031 ? 25  GLN   A CB    1 ? 1 
ATOM   184  C  CG    . GLN   A 1 26  ? 23.424 -17.957 -13.154 1   33.299 ? 25  GLN   A CG    1 ? 1 
ATOM   185  C  CD    . GLN   A 1 26  ? 24.389 -18.008 -14.332 1   37.684 ? 25  GLN   A CD    1 ? 1 
ATOM   186  O  OE1   . GLN   A 1 26  ? 24.072 -17.569 -15.452 1   43.132 ? 25  GLN   A OE1   1 ? 1 
ATOM   187  N  NE2   . GLN   A 1 26  ? 25.594 -18.494 -14.1   1   38.544 ? 25  GLN   A NE2   1 ? 1 
ATOM   188  N  N     . ASN   A 1 27  ? 23.229 -17.398 -8.285  1   29.287 ? 26  ASN   A N     1 ? 1 
ATOM   189  C  CA    . ASN   A 1 27  ? 23.603 -17.421 -6.878  1   31.358 ? 26  ASN   A CA    1 ? 1 
ATOM   190  C  C     . ASN   A 1 27  ? 25.109 -17.411 -6.633  1   31.283 ? 26  ASN   A C     1 ? 1 
ATOM   191  O  O     . ASN   A 1 27  ? 25.594 -18.072 -5.739  1   37.884 ? 26  ASN   A O     1 ? 1 
ATOM   192  C  CB    . ASN   A 1 27  ? 22.96  -18.608 -6.168  1   34.505 ? 26  ASN   A CB    1 ? 1 
ATOM   193  C  CG    . ASN   A 1 27  ? 21.468 -18.631 -6.359  1   34.374 ? 26  ASN   A CG    1 ? 1 
ATOM   194  O  OD1   . ASN   A 1 27  ? 20.793 -17.764 -5.823  1   33.706 ? 26  ASN   A OD1   1 ? 1 
ATOM   195  N  ND2   . ASN   A 1 27  ? 20.944 -19.614 -7.082  1   38.799 ? 26  ASN   A ND2   1 ? 1 
ATOM   196  N  N     . HIS   A 1 28  ? 25.868 -16.67  -7.422  1   28.51  ? 27  HIS   A N     1 ? 1 
ATOM   197  C  CA    . HIS   A 1 28  ? 27.256 -16.405 -7.096  1   27.765 ? 27  HIS   A CA    1 ? 1 
ATOM   198  C  C     . HIS   A 1 28  ? 27.698 -15.104 -7.742  1   23.779 ? 27  HIS   A C     1 ? 1 
ATOM   199  O  O     . HIS   A 1 28  ? 27.009 -14.594 -8.626  1   21.383 ? 27  HIS   A O     1 ? 1 
ATOM   200  C  CB    . HIS   A 1 28  ? 28.182 -17.566 -7.504  1   31.504 ? 27  HIS   A CB    1 ? 1 
ATOM   201  C  CG    . HIS   A 1 28  ? 28.134 -17.881 -8.952  1   34.237 ? 27  HIS   A CG    1 ? 1 
ATOM   202  N  ND1   . HIS   A 1 28  ? 27.228 -18.751 -9.499  1   42.262 ? 27  HIS   A ND1   1 ? 1 
ATOM   203  C  CD2   . HIS   A 1 28  ? 28.847 -17.42  -9.977  1   38.899 ? 27  HIS   A CD2   1 ? 1 
ATOM   204  C  CE1   . HIS   A 1 28  ? 27.402 -18.803 -10.816 1   41.592 ? 27  HIS   A CE1   1 ? 1 
ATOM   205  N  NE2   . HIS   A 1 28  ? 28.366 -17.986 -11.135 1   39.151 ? 27  HIS   A NE2   1 ? 1 
ATOM   206  N  N     . PHE   A 1 29  ? 28.814 -14.594 -7.201  1   22.131 ? 28  PHE   A N     1 ? 1 
ATOM   207  C  CA    . PHE   A 1 29  ? 29.447 -13.41  -7.718  1   19.673 ? 28  PHE   A CA    1 ? 1 
ATOM   208  C  C     . PHE   A 1 29  ? 30.374 -13.806 -8.853  1   23.055 ? 28  PHE   A C     1 ? 1 
ATOM   209  O  O     . PHE   A 1 29  ? 31.357 -14.514 -8.627  1   25.412 ? 28  PHE   A O     1 ? 1 
ATOM   210  C  CB    . PHE   A 1 29  ? 30.195 -12.681 -6.636  1   19.824 ? 28  PHE   A CB    1 ? 1 
ATOM   211  C  CG    . PHE   A 1 29  ? 30.871 -11.425 -7.12   1   17.935 ? 28  PHE   A CG    1 ? 1 
ATOM   212  C  CD1   . PHE   A 1 29  ? 30.168 -10.422 -7.806  1   16.299 ? 28  PHE   A CD1   1 ? 1 
ATOM   213  C  CD2   . PHE   A 1 29  ? 32.202 -11.215 -6.803  1   19.781 ? 28  PHE   A CD2   1 ? 1 
ATOM   214  C  CE1   . PHE   A 1 29  ? 30.795 -9.257  -8.137  1   16.525 ? 28  PHE   A CE1   1 ? 1 
ATOM   215  C  CE2   . PHE   A 1 29  ? 32.817 -10.033 -7.121  1   19.943 ? 28  PHE   A CE2   1 ? 1 
ATOM   216  C  CZ    . PHE   A 1 29  ? 32.118 -9.048  -7.781  1   18.208 ? 28  PHE   A CZ    1 ? 1 
ATOM   217  N  N     . VAL   A 1 30  ? 30.096 -13.299 -10.07  1   21.828 ? 29  VAL   A N     1 ? 1 
ATOM   218  C  CA    . VAL   A 1 30  ? 30.982 -13.44  -11.239 1   26.251 ? 29  VAL   A CA    1 ? 1 
ATOM   219  C  C     . VAL   A 1 30  ? 31.687 -12.103 -11.491 1   27.018 ? 29  VAL   A C     1 ? 1 
ATOM   220  O  O     . VAL   A 1 30  ? 31.009 -11.075 -11.761 1   24.334 ? 29  VAL   A O     1 ? 1 
ATOM   221  C  CB    . VAL   A 1 30  ? 30.235 -13.885 -12.516 1   28.374 ? 29  VAL   A CB    1 ? 1 
ATOM   222  C  CG1   . VAL   A 1 30  ? 29.703 -15.299 -12.353 1   31.375 ? 29  VAL   A CG1   1 ? 1 
ATOM   223  C  CG2   . VAL   A 1 30  ? 29.173 -12.918 -13.063 1   31.552 ? 29  VAL   A CG2   1 ? 1 
ATOM   224  N  N     . ASP   A 1 31  ? 33.016 -12.091 -11.395 1   31.39  ? 30  ASP   A N     1 ? 1 
ATOM   225  C  CA    . ASP   A 1 31  ? 33.858 -10.938 -11.769 1   36.022 ? 30  ASP   A CA    1 ? 1 
ATOM   226  C  C     . ASP   A 1 31  ? 34.085 -10.885 -13.299 1   37.468 ? 30  ASP   A C     1 ? 1 
ATOM   227  O  O     . ASP   A 1 31  ? 34.144 -11.92  -13.974 1   39.174 ? 30  ASP   A O     1 ? 1 
ATOM   228  C  CB    . ASP   A 1 31  ? 35.147 -10.899 -10.941 1   40.359 ? 30  ASP   A CB    1 ? 1 
ATOM   229  N  N     . GLU   A 1 32  ? 34.224 -9.657  -13.857 1   38.333 ? 31  GLU   A N     1 ? 1 
ATOM   230  C  CA    . GLU   A 1 32  ? 34.645 -9.392  -15.24  1   38.654 ? 31  GLU   A CA    1 ? 1 
ATOM   231  C  C     . GLU   A 1 32  ? 33.878 -10.225 -16.298 1   35.816 ? 31  GLU   A C     1 ? 1 
ATOM   232  O  O     . GLU   A 1 32  ? 34.474 -10.715 -17.248 1   41.885 ? 31  GLU   A O     1 ? 1 
ATOM   233  C  CB    . GLU   A 1 32  ? 36.184 -9.471  -15.302 1   41.887 ? 31  GLU   A CB    1 ? 1 
ATOM   234  N  N     . TYR   A 1 33  ? 32.535 -10.353 -16.161 1   30.02  ? 32  TYR   A N     1 ? 1 
ATOM   235  C  CA    . TYR   A 1 33  ? 31.648 -10.965 -17.16  1   28.325 ? 32  TYR   A CA    1 ? 1 
ATOM   236  C  C     . TYR   A 1 33  ? 31.703 -10.092 -18.408 1   23.737 ? 32  TYR   A C     1 ? 1 
ATOM   237  O  O     . TYR   A 1 33  ? 31.604 -8.878  -18.229 1   24.783 ? 32  TYR   A O     1 ? 1 
ATOM   238  C  CB    . TYR   A 1 33  ? 30.197 -11.052 -16.647 1   25.873 ? 32  TYR   A CB    1 ? 1 
ATOM   239  C  CG    . TYR   A 1 33  ? 29.268 -11.736 -17.632 1   27.24  ? 32  TYR   A CG    1 ? 1 
ATOM   240  C  CD1   . TYR   A 1 33  ? 29.535 -13.075 -17.945 1   28.868 ? 32  TYR   A CD1   1 ? 1 
ATOM   241  C  CD2   . TYR   A 1 33  ? 28.3   -11.051 -18.387 1   23.533 ? 32  TYR   A CD2   1 ? 1 
ATOM   242  C  CE1   . TYR   A 1 33  ? 28.758 -13.781 -18.855 1   32.1   ? 32  TYR   A CE1   1 ? 1 
ATOM   243  C  CE2   . TYR   A 1 33  ? 27.442 -11.773 -19.233 1   27.125 ? 32  TYR   A CE2   1 ? 1 
ATOM   244  C  CZ    . TYR   A 1 33  ? 27.741 -13.119 -19.533 1   29.324 ? 32  TYR   A CZ    1 ? 1 
ATOM   245  O  OH    . TYR   A 1 33  ? 27.012 -13.948 -20.355 1   36.848 ? 32  TYR   A OH    1 ? 1 
ATOM   246  N  N     . ASP   A 1 34  ? 31.815 -10.692 -19.617 1   23.685 ? 33  ASP   A N     1 ? 1 
ATOM   247  C  CA    . ASP   A 1 34  ? 32.062 -9.984  -20.862 1   23.436 ? 33  ASP   A CA    1 ? 1 
ATOM   248  C  C     . ASP   A 1 34  ? 31.207 -8.725  -20.914 1   21.426 ? 33  ASP   A C     1 ? 1 
ATOM   249  O  O     . ASP   A 1 34  ? 29.953 -8.826  -20.895 1   19.755 ? 33  ASP   A O     1 ? 1 
ATOM   250  C  CB    . ASP   A 1 34  ? 31.853 -10.837 -22.098 1   25.512 ? 33  ASP   A CB    1 ? 1 
ATOM   251  C  CG    . ASP   A 1 34  ? 32.19  -10.188 -23.43  1   26.908 ? 33  ASP   A CG    1 ? 1 
ATOM   252  O  OD1   . ASP   A 1 34  ? 32.172 -8.94   -23.556 1   27.418 ? 33  ASP   A OD1   1 ? 1 
ATOM   253  O  OD2   . ASP   A 1 34  ? 32.409 -10.951 -24.392 1   31.452 ? 33  ASP   A OD2   1 ? 1 
ATOM   254  N  N     . PRO   A 1 35  ? 31.827 -7.508  -20.855 1   21.317 ? 34  PRO   A N     1 ? 1 
ATOM   255  C  CA    . PRO   A 1 35  ? 31.062 -6.268  -20.756 1   19.676 ? 34  PRO   A CA    1 ? 1 
ATOM   256  C  C     . PRO   A 1 35  ? 30.129 -6.033  -21.924 1   18.42  ? 34  PRO   A C     1 ? 1 
ATOM   257  O  O     . PRO   A 1 35  ? 29.257 -5.203  -21.799 1   18.066 ? 34  PRO   A O     1 ? 1 
ATOM   258  C  CB    . PRO   A 1 35  ? 32.087 -5.088  -20.716 1   23.116 ? 34  PRO   A CB    1 ? 1 
ATOM   259  C  CG    . PRO   A 1 35  ? 33.399 -5.747  -20.517 1   25.232 ? 34  PRO   A CG    1 ? 1 
ATOM   260  C  CD    . PRO   A 1 35  ? 33.271 -7.235  -20.769 1   23.836 ? 34  PRO   A CD    1 ? 1 
ATOM   261  N  N     . THR   A 1 36  ? 30.374 -6.691  -23.076 1   18.674 ? 35  THR   A N     1 ? 1 
ATOM   262  C  CA    . THR   A 1 36  ? 29.659 -6.431  -24.314 1   19.445 ? 35  THR   A CA    1 ? 1 
ATOM   263  C  C     . THR   A 1 36  ? 28.374 -7.238  -24.457 1   18.262 ? 35  THR   A C     1 ? 1 
ATOM   264  O  O     . THR   A 1 36  ? 27.636 -6.94   -25.381 1   20.997 ? 35  THR   A O     1 ? 1 
ATOM   265  C  CB    . THR   A 1 36  ? 30.567 -6.654  -25.553 1   22.888 ? 35  THR   A CB    1 ? 1 
ATOM   266  O  OG1   . THR   A 1 36  ? 30.794 -8.06   -25.683 1   25.495 ? 35  THR   A OG1   1 ? 1 
ATOM   267  C  CG2   . THR   A 1 36  ? 31.896 -5.916  -25.482 1   24.74  ? 35  THR   A CG2   1 ? 1 
ATOM   268  N  N     . ILE   A 1 37  ? 28.144 -8.269  -23.645 1   16.947 ? 36  ILE   A N     1 ? 1 
ATOM   269  C  CA    . ILE   A 1 37  ? 27.084 -9.255  -23.869 1   17.745 ? 36  ILE   A CA    1 ? 1 
ATOM   270  C  C     . ILE   A 1 37  ? 25.787 -8.842  -23.214 1   15.396 ? 36  ILE   A C     1 ? 1 
ATOM   271  O  O     . ILE   A 1 37  ? 25.733 -8.639  -21.972 1   15.387 ? 36  ILE   A O     1 ? 1 
ATOM   272  C  CB    . ILE   A 1 37  ? 27.469 -10.663 -23.4   1   19.61  ? 36  ILE   A CB    1 ? 1 
ATOM   273  C  CG1   . ILE   A 1 37  ? 28.727 -11.116 -24.144 1   22.696 ? 36  ILE   A CG1   1 ? 1 
ATOM   274  C  CG2   . ILE   A 1 37  ? 26.294 -11.658 -23.53  1   20.079 ? 36  ILE   A CG2   1 ? 1 
ATOM   275  C  CD1   . ILE   A 1 37  ? 28.727 -10.993 -25.662 1   26.627 ? 36  ILE   A CD1   1 ? 1 
ATOM   276  N  N     . GLU   A 1 38  ? 24.775 -8.66   -24.08  1   15.414 ? 37  GLU   A N     1 ? 1 
ATOM   277  C  CA    . GLU   A 1 38  ? 23.407 -8.398  -23.656 1   13.94  ? 37  GLU   A CA    1 ? 1 
ATOM   278  C  C     . GLU   A 1 38  ? 22.646 -9.711  -23.772 1   13.978 ? 37  GLU   A C     1 ? 1 
ATOM   279  O  O     . GLU   A 1 38  ? 22.714 -10.39  -24.798 1   15.342 ? 37  GLU   A O     1 ? 1 
ATOM   280  C  CB    . GLU   A 1 38  ? 22.728 -7.359  -24.542 1   14.711 ? 37  GLU   A CB    1 ? 1 
ATOM   281  C  CG    . GLU   A 1 38  ? 21.271 -7.088  -24.202 1   14.801 ? 37  GLU   A CG    1 ? 1 
ATOM   282  C  CD    . GLU   A 1 38  ? 20.664 -5.767  -24.666 1   16.614 ? 37  GLU   A CD    1 ? 1 
ATOM   283  O  OE1   . GLU   A 1 38  ? 19.634 -5.812  -25.371 1   21.494 ? 37  GLU   A OE1   1 ? 1 
ATOM   284  O  OE2   . GLU   A 1 38  ? 21.21  -4.709  -24.312 1   17.03  ? 37  GLU   A OE2   1 ? 1 
ATOM   285  N  N     . ASP   A 1 39  ? 22.006 -10.127 -22.691 1   12.863 ? 38  ASP   A N     1 ? 1 
ATOM   286  C  CA    . ASP   A 1 39  ? 21.359 -11.436 -22.64  1   13.327 ? 38  ASP   A CA    1 ? 1 
ATOM   287  C  C     . ASP   A 1 39  ? 20.209 -11.365 -21.656 1   12.723 ? 38  ASP   A C     1 ? 1 
ATOM   288  O  O     . ASP   A 1 39  ? 20.113 -10.432 -20.848 1   13.14  ? 38  ASP   A O     1 ? 1 
ATOM   289  C  CB    . ASP   A 1 39  ? 22.39  -12.514 -22.35  1   14.385 ? 38  ASP   A CB    1 ? 1 
ATOM   290  C  CG    . ASP   A 1 39  ? 22.043 -13.921 -22.73  1   16.116 ? 38  ASP   A CG    1 ? 1 
ATOM   291  O  OD1   . ASP   A 1 39  ? 20.925 -14.175 -23.269 1   16.198 ? 38  ASP   A OD1   1 ? 1 
ATOM   292  O  OD2   . ASP   A 1 39  ? 22.926 -14.799 -22.491 1   19.217 ? 38  ASP   A OD2   1 ? 1 
ATOM   293  N  N     A SER   A 1 40  ? 19.346 -12.372 -21.708 0.5 13.181 ? 39  SER   A N     1 ? 1 
ATOM   294  N  N     B SER   A 1 40  ? 19.326 -12.366 -21.732 0.5 13.486 ? 39  SER   A N     1 ? 1 
ATOM   295  C  CA    A SER   A 1 40  ? 18.236 -12.452 -20.777 0.5 12.76  ? 39  SER   A CA    1 ? 1 
ATOM   296  C  CA    B SER   A 1 40  ? 18.145 -12.48  -20.884 0.5 13.396 ? 39  SER   A CA    1 ? 1 
ATOM   297  C  C     A SER   A 1 40  ? 18.12  -13.839 -20.196 0.5 13.501 ? 39  SER   A C     1 ? 1 
ATOM   298  C  C     B SER   A 1 40  ? 18.14  -13.829 -20.194 0.5 13.724 ? 39  SER   A C     1 ? 1 
ATOM   299  O  O     A SER   A 1 40  ? 18.49  -14.828 -20.795 0.5 14.36  ? 39  SER   A O     1 ? 1 
ATOM   300  O  O     B SER   A 1 40  ? 18.545 -14.819 -20.765 0.5 14.484 ? 39  SER   A O     1 ? 1 
ATOM   301  C  CB    A SER   A 1 40  ? 16.953 -11.985 -21.389 0.5 13.241 ? 39  SER   A CB    1 ? 1 
ATOM   302  C  CB    B SER   A 1 40  ? 16.861 -12.313 -21.648 0.5 14.623 ? 39  SER   A CB    1 ? 1 
ATOM   303  O  OG    A SER   A 1 40  ? 16.535 -12.834 -22.451 0.5 15.432 ? 39  SER   A OG    1 ? 1 
ATOM   304  O  OG    B SER   A 1 40  ? 16.72  -11.022 -22.217 0.5 15.994 ? 39  SER   A OG    1 ? 1 
ATOM   305  N  N     . TYR   A 1 41  ? 17.597 -13.859 -18.986 1   13.232 ? 40  TYR   A N     1 ? 1 
ATOM   306  C  CA    . TYR   A 1 41  ? 17.532 -15.042 -18.155 1   14.37  ? 40  TYR   A CA    1 ? 1 
ATOM   307  C  C     . TYR   A 1 41  ? 16.206 -15.083 -17.416 1   15.567 ? 40  TYR   A C     1 ? 1 
ATOM   308  O  O     . TYR   A 1 41  ? 15.754 -14.038 -16.95  1   17.055 ? 40  TYR   A O     1 ? 1 
ATOM   309  C  CB    . TYR   A 1 41  ? 18.606 -14.903 -17.068 1   14.743 ? 40  TYR   A CB    1 ? 1 
ATOM   310  C  CG    . TYR   A 1 41  ? 20.022 -14.876 -17.576 1   15.787 ? 40  TYR   A CG    1 ? 1 
ATOM   311  C  CD1   . TYR   A 1 41  ? 20.752 -16.062 -17.697 1   17.589 ? 40  TYR   A CD1   1 ? 1 
ATOM   312  C  CD2   . TYR   A 1 41  ? 20.695 -13.696 -17.857 1   15.672 ? 40  TYR   A CD2   1 ? 1 
ATOM   313  C  CE1   . TYR   A 1 41  ? 22.055 -16.114 -18.147 1   19.237 ? 40  TYR   A CE1   1 ? 1 
ATOM   314  C  CE2   . TYR   A 1 41  ? 22.006 -13.742 -18.37  1   16.534 ? 40  TYR   A CE2   1 ? 1 
ATOM   315  C  CZ    . TYR   A 1 41  ? 22.699 -14.953 -18.455 1   18.058 ? 40  TYR   A CZ    1 ? 1 
ATOM   316  O  OH    . TYR   A 1 41  ? 24.002 -15.079 -18.884 1   20.876 ? 40  TYR   A OH    1 ? 1 
ATOM   317  N  N     . ARG   A 1 42  ? 15.643 -16.271 -17.235 1   17.717 ? 41  ARG   A N     1 ? 1 
ATOM   318  C  CA    . ARG   A 1 42  ? 14.4   -16.398 -16.486 1   20.095 ? 41  ARG   A CA    1 ? 1 
ATOM   319  C  C     . ARG   A 1 42  ? 14.687 -17.166 -15.221 1   22.092 ? 41  ARG   A C     1 ? 1 
ATOM   320  O  O     . ARG   A 1 42  ? 15.362 -18.187 -15.265 1   27.014 ? 41  ARG   A O     1 ? 1 
ATOM   321  C  CB    . ARG   A 1 42  ? 13.409 -17.258 -17.283 1   24.544 ? 41  ARG   A CB    1 ? 1 
ATOM   322  C  CG    . ARG   A 1 42  ? 12.053 -17.297 -16.576 1   27.629 ? 41  ARG   A CG    1 ? 1 
ATOM   323  C  CD    . ARG   A 1 42  ? 10.73  -17.276 -17.356 1   30.76  ? 41  ARG   A CD    1 ? 1 
ATOM   324  N  NE    . ARG   A 1 42  ? 10.61  -17.913 -18.642 1   30.409 ? 41  ARG   A NE    1 ? 1 
ATOM   325  C  CZ    . ARG   A 1 42  ? 9.747  -17.879 -19.646 1   33.099 ? 41  ARG   A CZ    1 ? 1 
ATOM   326  N  NH1   . ARG   A 1 42  ? 9.632  -18.981 -20.394 1   36.109 ? 41  ARG   A NH1   1 ? 1 
ATOM   327  N  NH2   . ARG   A 1 42  ? 9.01   -16.836 -19.932 1   33.935 ? 41  ARG   A NH2   1 ? 1 
ATOM   328  N  N     . LYS   A 1 43  ? 13.965 -16.804 -14.161 1   22.192 ? 42  LYS   A N     1 ? 1 
ATOM   329  C  CA    . LYS   A 1 43  ? 13.943 -17.603 -12.955 1   24.309 ? 42  LYS   A CA    1 ? 1 
ATOM   330  C  C     . LYS   A 1 43  ? 12.564 -17.595 -12.3   1   23.051 ? 42  LYS   A C     1 ? 1 
ATOM   331  O  O     . LYS   A 1 43  ? 11.89  -16.573 -12.289 1   20.948 ? 42  LYS   A O     1 ? 1 
ATOM   332  C  CB    . LYS   A 1 43  ? 14.941 -16.985 -11.986 1   25.437 ? 42  LYS   A CB    1 ? 1 
ATOM   333  C  CG    . LYS   A 1 43  ? 15.253 -17.844 -10.741 1   29.812 ? 42  LYS   A CG    1 ? 1 
ATOM   334  C  CD    . LYS   A 1 43  ? 15.873 -16.956 -9.677  1   31.889 ? 42  LYS   A CD    1 ? 1 
ATOM   335  C  CE    . LYS   A 1 43  ? 16.218 -17.705 -8.401  1   35.339 ? 42  LYS   A CE    1 ? 1 
ATOM   336  N  NZ    . LYS   A 1 43  ? 17.182 -18.772 -8.651  1   39.152 ? 42  LYS   A NZ    1 ? 1 
ATOM   337  N  N     . GLN   A 1 44  ? 12.196 -18.754 -11.768 1   23.361 ? 43  GLN   A N     1 ? 1 
ATOM   338  C  CA    . GLN   A 1 44  ? 10.96  -18.896 -11.024 1   23.207 ? 43  GLN   A CA    1 ? 1 
ATOM   339  C  C     . GLN   A 1 44  ? 11.251 -18.635 -9.553  1   22.355 ? 43  GLN   A C     1 ? 1 
ATOM   340  O  O     . GLN   A 1 44  ? 12.153 -19.221 -8.998  1   23.204 ? 43  GLN   A O     1 ? 1 
ATOM   341  C  CB    . GLN   A 1 44  ? 10.42  -20.307 -11.24  1   25.527 ? 43  GLN   A CB    1 ? 1 
ATOM   342  C  CG    . GLN   A 1 44  ? 9.079  -20.515 -10.544 1   26.96  ? 43  GLN   A CG    1 ? 1 
ATOM   343  C  CD    . GLN   A 1 44  ? 8.435  -21.838 -10.877 1   31.456 ? 43  GLN   A CD    1 ? 1 
ATOM   344  O  OE1   . GLN   A 1 44  ? 8.34   -22.237 -12.038 1   35.551 ? 43  GLN   A OE1   1 ? 1 
ATOM   345  N  NE2   . GLN   A 1 44  ? 8.029  -22.548 -9.854  1   33.214 ? 43  GLN   A NE2   1 ? 1 
ATOM   346  N  N     . VAL   A 1 45  ? 10.448 -17.764 -8.951  1   20.399 ? 44  VAL   A N     1 ? 1 
ATOM   347  C  CA    . VAL   A 1 45  ? 10.612 -17.378 -7.545  1   20.508 ? 44  VAL   A CA    1 ? 1 
ATOM   348  C  C     . VAL   A 1 45  ? 9.233  -17.185 -6.941  1   20.472 ? 44  VAL   A C     1 ? 1 
ATOM   349  O  O     . VAL   A 1 45  ? 8.229  -17.039 -7.624  1   24.161 ? 44  VAL   A O     1 ? 1 
ATOM   350  C  CB    . VAL   A 1 45  ? 11.36  -16.049 -7.446  1   21.242 ? 44  VAL   A CB    1 ? 1 
ATOM   351  C  CG1   . VAL   A 1 45  ? 12.747 -16.073 -8.052  1   24.278 ? 44  VAL   A CG1   1 ? 1 
ATOM   352  C  CG2   . VAL   A 1 45  ? 10.583 -14.895 -8.097  1   22.049 ? 44  VAL   A CG2   1 ? 1 
ATOM   353  N  N     . VAL   A 1 46  ? 9.17   -17.185 -5.614  1   18.187 ? 45  VAL   A N     1 ? 1 
ATOM   354  C  CA    . VAL   A 1 46  ? 7.96   -16.877 -4.872  1   17.959 ? 45  VAL   A CA    1 ? 1 
ATOM   355  C  C     . VAL   A 1 46  ? 8.21   -15.551 -4.18   1   16.699 ? 45  VAL   A C     1 ? 1 
ATOM   356  O  O     . VAL   A 1 46  ? 9.153  -15.469 -3.396  1   16.836 ? 45  VAL   A O     1 ? 1 
ATOM   357  C  CB    . VAL   A 1 46  ? 7.626  -17.987 -3.869  1   19.435 ? 45  VAL   A CB    1 ? 1 
ATOM   358  C  CG1   . VAL   A 1 46  ? 6.339  -17.641 -3.119  1   20.277 ? 45  VAL   A CG1   1 ? 1 
ATOM   359  C  CG2   . VAL   A 1 46  ? 7.409  -19.341 -4.556  1   21.005 ? 45  VAL   A CG2   1 ? 1 
ATOM   360  N  N     . ILE   A 1 47  ? 7.376  -14.543 -4.445  1   16.1   ? 46  ILE   A N     1 ? 1 
ATOM   361  C  CA    . ILE   A 1 47  ? 7.477  -13.208 -3.854  1   15.405 ? 46  ILE   A CA    1 ? 1 
ATOM   362  C  C     . ILE   A 1 47  ? 6.135  -12.914 -3.207  1   16.136 ? 46  ILE   A C     1 ? 1 
ATOM   363  O  O     . ILE   A 1 47  ? 5.107  -12.849 -3.872  1   16.546 ? 46  ILE   A O     1 ? 1 
ATOM   364  C  CB    . ILE   A 1 47  ? 7.817  -12.145 -4.91   1   14.725 ? 46  ILE   A CB    1 ? 1 
ATOM   365  C  CG1   . ILE   A 1 47  ? 9.14   -12.477 -5.602  1   15.028 ? 46  ILE   A CG1   1 ? 1 
ATOM   366  C  CG2   . ILE   A 1 47  ? 7.868  -10.749 -4.292  1   14.798 ? 46  ILE   A CG2   1 ? 1 
ATOM   367  C  CD1   . ILE   A 1 47  ? 9.402  -11.658 -6.831  1   15.129 ? 46  ILE   A CD1   1 ? 1 
ATOM   368  N  N     . ASP   A 1 48  ? 6.14   -12.738 -1.88   1   16.573 ? 47  ASP   A N     1 ? 1 
ATOM   369  C  CA    . ASP   A 1 48  ? 4.917  -12.461 -1.126  1   18.088 ? 47  ASP   A CA    1 ? 1 
ATOM   370  C  C     . ASP   A 1 48  ? 3.852  -13.504 -1.427  1   19.253 ? 47  ASP   A C     1 ? 1 
ATOM   371  O  O     . ASP   A 1 48  ? 2.679  -13.169 -1.551  1   20.387 ? 47  ASP   A O     1 ? 1 
ATOM   372  C  CB    . ASP   A 1 48  ? 4.402  -11.046 -1.366  1   18.289 ? 47  ASP   A CB    1 ? 1 
ATOM   373  C  CG    . ASP   A 1 48  ? 5.426  -9.943  -1.2    1   17.854 ? 47  ASP   A CG    1 ? 1 
ATOM   374  O  OD1   . ASP   A 1 48  ? 6.191  -9.955  -0.236  1   19.269 ? 47  ASP   A OD1   1 ? 1 
ATOM   375  O  OD2   . ASP   A 1 48  ? 5.612  -9.155  -2.111  1   19.991 ? 47  ASP   A OD2   1 ? 1 
ATOM   376  N  N     . GLY   A 1 49  ? 4.253  -14.783 -1.492  1   19.311 ? 48  GLY   A N     1 ? 1 
ATOM   377  C  CA    . GLY   A 1 49  ? 3.346  -15.869 -1.728  1   20.855 ? 48  GLY   A CA    1 ? 1 
ATOM   378  C  C     . GLY   A 1 49  ? 2.943  -16.129 -3.163  1   20.84  ? 48  GLY   A C     1 ? 1 
ATOM   379  O  O     . GLY   A 1 49  ? 2.313  -17.138 -3.381  1   22.59  ? 48  GLY   A O     1 ? 1 
ATOM   380  N  N     . GLU   A 1 50  ? 3.333  -15.261 -4.107  1   19.456 ? 49  GLU   A N     1 ? 1 
ATOM   381  C  CA    . GLU   A 1 50  ? 2.99   -15.441 -5.518  1   20.566 ? 49  GLU   A CA    1 ? 1 
ATOM   382  C  C     . GLU   A 1 50  ? 4.166  -16.149 -6.195  1   20.178 ? 49  GLU   A C     1 ? 1 
ATOM   383  O  O     . GLU   A 1 50  ? 5.291  -15.635 -6.194  1   19.492 ? 49  GLU   A O     1 ? 1 
ATOM   384  C  CB    . GLU   A 1 50  ? 2.764  -14.092 -6.169  1   20.449 ? 49  GLU   A CB    1 ? 1 
ATOM   385  C  CG    . GLU   A 1 50  ? 2.464  -14.236 -7.656  1   21.706 ? 49  GLU   A CG    1 ? 1 
ATOM   386  C  CD    . GLU   A 1 50  ? 2.387  -12.936 -8.399  1   22.155 ? 49  GLU   A CD    1 ? 1 
ATOM   387  O  OE1   . GLU   A 1 50  ? 3.119  -11.987 -8.133  1   21.788 ? 49  GLU   A OE1   1 ? 1 
ATOM   388  O  OE2   . GLU   A 1 50  ? 1.636  -12.918 -9.368  1   28.757 ? 49  GLU   A OE2   1 ? 1 
ATOM   389  N  N     . THR   A 1 51  ? 3.876  -17.29  -6.837  1   22.055 ? 50  THR   A N     1 ? 1 
ATOM   390  C  CA    . THR   A 1 51  ? 4.841  -17.958 -7.683  1   22.814 ? 50  THR   A CA    1 ? 1 
ATOM   391  C  C     . THR   A 1 51  ? 4.787  -17.23  -9.011  1   23.145 ? 50  THR   A C     1 ? 1 
ATOM   392  O  O     . THR   A 1 51  ? 3.692  -17.109 -9.6    1   26.185 ? 50  THR   A O     1 ? 1 
ATOM   393  C  CB    . THR   A 1 51  ? 4.556  -19.455 -7.826  1   25.637 ? 50  THR   A CB    1 ? 1 
ATOM   394  O  OG1   . THR   A 1 51  ? 4.546  -20.076 -6.55   1   26.569 ? 50  THR   A OG1   1 ? 1 
ATOM   395  C  CG2   . THR   A 1 51  ? 5.654  -20.149 -8.611  1   26.628 ? 50  THR   A CG2   1 ? 1 
ATOM   396  N  N     . CYS   A 1 52  ? 5.953  -16.758 -9.435  1   21.306 ? 51  CYS   A N     1 ? 1 
ATOM   397  C  CA    . CYS   A 1 52  ? 6.058  -16.007 -10.67  1   20.647 ? 51  CYS   A CA    1 ? 1 
ATOM   398  C  C     . CYS   A 1 52  ? 7.411  -16.267 -11.345 1   19.373 ? 51  CYS   A C     1 ? 1 
ATOM   399  O  O     . CYS   A 1 52  ? 8.317  -16.839 -10.82  1   20.318 ? 51  CYS   A O     1 ? 1 
ATOM   400  C  CB    . CYS   A 1 52  ? 5.73   -14.553 -10.371 1   20.672 ? 51  CYS   A CB    1 ? 1 
ATOM   401  S  SG    . CYS   A 1 52  ? 6.826  -13.782 -9.157  1   22.657 ? 51  CYS   A SG    1 ? 1 
ATOM   402  N  N     . LEU   A 1 53  ? 7.466  -15.829 -12.591 1   17.119 ? 52  LEU   A N     1 ? 1 
ATOM   403  C  CA    . LEU   A 1 53  ? 8.613  -15.967 -13.47  1   16.967 ? 52  LEU   A CA    1 ? 1 
ATOM   404  C  C     . LEU   A 1 53  ? 9.186  -14.573 -13.643 1   16.677 ? 52  LEU   A C     1 ? 1 
ATOM   405  O  O     . LEU   A 1 53  ? 8.427  -13.659 -14.002 1   20.19  ? 52  LEU   A O     1 ? 1 
ATOM   406  C  CB    . LEU   A 1 53  ? 8.148  -16.547 -14.793 1   18.511 ? 52  LEU   A CB    1 ? 1 
ATOM   407  C  CG    . LEU   A 1 53  ? 7.554  -17.949 -14.734 1   21.347 ? 52  LEU   A CG    1 ? 1 
ATOM   408  C  CD1   . LEU   A 1 53  ? 7.117  -18.369 -16.116 1   23.901 ? 52  LEU   A CD1   1 ? 1 
ATOM   409  C  CD2   . LEU   A 1 53  ? 8.509  -18.977 -14.164 1   22.269 ? 52  LEU   A CD2   1 ? 1 
ATOM   410  N  N     . LEU   A 1 54  ? 10.485 -14.411 -13.383 1   14.871 ? 53  LEU   A N     1 ? 1 
ATOM   411  C  CA    . LEU   A 1 54  ? 11.17  -13.162 -13.631 1   13.883 ? 53  LEU   A CA    1 ? 1 
ATOM   412  C  C     . LEU   A 1 54  ? 12.017 -13.361 -14.881 1   14.505 ? 53  LEU   A C     1 ? 1 
ATOM   413  O  O     . LEU   A 1 54  ? 12.892 -14.211 -14.863 1   15.658 ? 53  LEU   A O     1 ? 1 
ATOM   414  C  CB    . LEU   A 1 54  ? 12.068 -12.731 -12.472 1   13.466 ? 53  LEU   A CB    1 ? 1 
ATOM   415  C  CG    . LEU   A 1 54  ? 11.38  -12.69  -11.116 1   14.442 ? 53  LEU   A CG    1 ? 1 
ATOM   416  C  CD1   . LEU   A 1 54  ? 12.359 -12.091 -10.117 1   14.338 ? 53  LEU   A CD1   1 ? 1 
ATOM   417  C  CD2   . LEU   A 1 54  ? 10.102 -11.895 -11.109 1   14.753 ? 53  LEU   A CD2   1 ? 1 
ATOM   418  N  N     . ASP   A 1 55  ? 11.724 -12.618 -15.942 1   14.39  ? 54  ASP   A N     1 ? 1 
ATOM   419  C  CA    A ASP   A 1 55  ? 12.556 -12.582 -17.141 0.5 14.966 ? 54  ASP   A CA    1 ? 1 
ATOM   420  C  CA    B ASP   A 1 55  ? 12.511 -12.556 -17.142 0.5 15.447 ? 54  ASP   A CA    1 ? 1 
ATOM   421  C  C     . ASP   A 1 55  ? 13.365 -11.302 -17.07  1   14.708 ? 54  ASP   A C     1 ? 1 
ATOM   422  O  O     . ASP   A 1 55  ? 12.793 -10.224 -17.07  1   18.175 ? 54  ASP   A O     1 ? 1 
ATOM   423  C  CB    A ASP   A 1 55  ? 11.8   -12.727 -18.46  0.5 16.278 ? 54  ASP   A CB    1 ? 1 
ATOM   424  C  CB    B ASP   A 1 55  ? 11.547 -12.494 -18.308 0.5 17.515 ? 54  ASP   A CB    1 ? 1 
ATOM   425  C  CG    A ASP   A 1 55  ? 11.415 -14.162 -18.777 0.5 17.962 ? 54  ASP   A CG    1 ? 1 
ATOM   426  C  CG    B ASP   A 1 55  ? 12.288 -12.557 -19.608 0.5 19.119 ? 54  ASP   A CG    1 ? 1 
ATOM   427  O  OD1   A ASP   A 1 55  ? 10.346 -14.412 -19.32  0.5 20.178 ? 54  ASP   A OD1   1 ? 1 
ATOM   428  O  OD1   B ASP   A 1 55  ? 12.554 -13.682 -20.013 0.5 21.966 ? 54  ASP   A OD1   1 ? 1 
ATOM   429  O  OD2   A ASP   A 1 55  ? 12.156 -15.067 -18.427 0.5 17.283 ? 54  ASP   A OD2   1 ? 1 
ATOM   430  O  OD2   B ASP   A 1 55  ? 12.634 -11.463 -20.086 0.5 20.338 ? 54  ASP   A OD2   1 ? 1 
ATOM   431  N  N     . ILE   A 1 56  ? 14.668 -11.454 -16.959 1   13.348 ? 55  ILE   A N     1 ? 1 
ATOM   432  C  CA    . ILE   A 1 56  ? 15.568 -10.325 -16.726 1   13.07  ? 55  ILE   A CA    1 ? 1 
ATOM   433  C  C     . ILE   A 1 56  ? 16.453 -10.074 -17.922 1   11.947 ? 55  ILE   A C     1 ? 1 
ATOM   434  O  O     . ILE   A 1 56  ? 17.19  -10.965 -18.322 1   13.806 ? 55  ILE   A O     1 ? 1 
ATOM   435  C  CB    . ILE   A 1 56  ? 16.412 -10.601 -15.479 1   13.971 ? 55  ILE   A CB    1 ? 1 
ATOM   436  C  CG1   . ILE   A 1 56  ? 15.432 -10.878 -14.287 1   17.616 ? 55  ILE   A CG1   1 ? 1 
ATOM   437  C  CG2   . ILE   A 1 56  ? 17.351 -9.422  -15.166 1   13.676 ? 55  ILE   A CG2   1 ? 1 
ATOM   438  C  CD1   . ILE   A 1 56  ? 16.081 -11.433 -13.108 1   19.749 ? 55  ILE   A CD1   1 ? 1 
ATOM   439  N  N     . LEU   A 1 57  ? 16.357 -8.886  -18.492 1   11.338 ? 56  LEU   A N     1 ? 1 
ATOM   440  C  CA    . LEU   A 1 57  ? 17.202 -8.418  -19.564 1   11.232 ? 56  LEU   A CA    1 ? 1 
ATOM   441  C  C     . LEU   A 1 57  ? 18.359 -7.635  -18.973 1   10.483 ? 56  LEU   A C     1 ? 1 
ATOM   442  O  O     . LEU   A 1 57  ? 18.173 -6.59   -18.344 1   10.977 ? 56  LEU   A O     1 ? 1 
ATOM   443  C  CB    . LEU   A 1 57  ? 16.439 -7.545  -20.542 1   12.667 ? 56  LEU   A CB    1 ? 1 
ATOM   444  C  CG    . LEU   A 1 57  ? 17.306 -6.929  -21.663 1   14.322 ? 56  LEU   A CG    1 ? 1 
ATOM   445  C  CD1   . LEU   A 1 57  ? 18.047 -7.922  -22.503 1   16.442 ? 56  LEU   A CD1   1 ? 1 
ATOM   446  C  CD2   . LEU   A 1 57  ? 16.447 -6.027  -22.538 1   15.652 ? 56  LEU   A CD2   1 ? 1 
ATOM   447  N  N     . ASP   A 1 58  ? 19.576 -8.159  -19.158 1   10.846 ? 57  ASP   A N     1 ? 1 
ATOM   448  C  CA    . ASP   A 1 58  ? 20.826 -7.571  -18.699 1   10.729 ? 57  ASP   A CA    1 ? 1 
ATOM   449  C  C     . ASP   A 1 58  ? 21.429 -6.813  -19.897 1   11.274 ? 57  ASP   A C     1 ? 1 
ATOM   450  O  O     . ASP   A 1 58  ? 21.937 -7.446  -20.798 1   12.578 ? 57  ASP   A O     1 ? 1 
ATOM   451  C  CB    . ASP   A 1 58  ? 21.753 -8.693  -18.254 1   11.783 ? 57  ASP   A CB    1 ? 1 
ATOM   452  C  CG    . ASP   A 1 58  ? 23.134 -8.225  -17.847 1   12.942 ? 57  ASP   A CG    1 ? 1 
ATOM   453  O  OD1   . ASP   A 1 58  ? 23.254 -7.046  -17.435 1   13.606 ? 57  ASP   A OD1   1 ? 1 
ATOM   454  O  OD2   . ASP   A 1 58  ? 24.082 -9.035  -17.956 1   14.402 ? 57  ASP   A OD2   1 ? 1 
ATOM   455  N  N     . THR   A 1 59  ? 21.316 -5.484  -19.9   1   10.406 ? 58  THR   A N     1 ? 1 
ATOM   456  C  CA    . THR   A 1 59  ? 21.666 -4.704  -21.058 1   11.056 ? 58  THR   A CA    1 ? 1 
ATOM   457  C  C     . THR   A 1 59  ? 23.171 -4.512  -21.205 1   11.683 ? 58  THR   A C     1 ? 1 
ATOM   458  O  O     . THR   A 1 59  ? 23.923 -4.48   -20.217 1   12.094 ? 58  THR   A O     1 ? 1 
ATOM   459  C  CB    . THR   A 1 59  ? 20.972 -3.351  -21.01  1   11.238 ? 58  THR   A CB    1 ? 1 
ATOM   460  O  OG1   . THR   A 1 59  ? 21.345 -2.621  -19.85  1   10.768 ? 58  THR   A OG1   1 ? 1 
ATOM   461  C  CG2   . THR   A 1 59  ? 19.474 -3.492  -21.133 1   11.939 ? 58  THR   A CG2   1 ? 1 
ATOM   462  N  N     . ALA   A 1 60  ? 23.624 -4.345  -22.454 1   12.069 ? 59  ALA   A N     1 ? 1 
ATOM   463  C  CA    . ALA   A 1 60  ? 25.032 -4.138  -22.757 1   12.992 ? 59  ALA   A CA    1 ? 1 
ATOM   464  C  C     . ALA   A 1 60  ? 25.145 -3.601  -24.176 1   14.572 ? 59  ALA   A C     1 ? 1 
ATOM   465  O  O     . ALA   A 1 60  ? 24.195 -3.692  -24.945 1   15.707 ? 59  ALA   A O     1 ? 1 
ATOM   466  C  CB    . ALA   A 1 60  ? 25.831 -5.42   -22.609 1   13.957 ? 59  ALA   A CB    1 ? 1 
ATOM   467  N  N     . GLY   A 1 61  ? 26.332 -3.112  -24.521 1   15.022 ? 60  GLY   A N     1 ? 1 
ATOM   468  C  CA    . GLY   A 1 61  ? 26.678 -2.715  -25.881 1   16.395 ? 60  GLY   A CA    1 ? 1 
ATOM   469  C  C     . GLY   A 1 61  ? 26.779 -1.214  -26.039 1   16.026 ? 60  GLY   A C     1 ? 1 
ATOM   470  O  O     . GLY   A 1 61  ? 26.939 -0.481  -25.091 1   15.907 ? 60  GLY   A O     1 ? 1 
ATOM   471  N  N     . GLN   A 1 62  ? 26.744 -0.784  -27.303 1   17.401 ? 61  GLN   A N     1 ? 1 
ATOM   472  C  CA    . GLN   A 1 62  ? 26.95  0.615   -27.622 1   17.994 ? 61  GLN   A CA    1 ? 1 
ATOM   473  C  C     . GLN   A 1 62  ? 25.679 1.422   -27.414 1   16.815 ? 61  GLN   A C     1 ? 1 
ATOM   474  O  O     . GLN   A 1 62  ? 24.549 0.924   -27.439 1   18.811 ? 61  GLN   A O     1 ? 1 
ATOM   475  C  CB    . GLN   A 1 62  ? 27.409 0.788   -29.072 1   21.452 ? 61  GLN   A CB    1 ? 1 
ATOM   476  C  CG    . GLN   A 1 62  ? 28.642 -0.016  -29.46  1   24.469 ? 61  GLN   A CG    1 ? 1 
ATOM   477  C  CD    . GLN   A 1 62  ? 29.853 0.527   -28.747 1   27.827 ? 61  GLN   A CD    1 ? 1 
ATOM   478  O  OE1   . GLN   A 1 62  ? 30.292 1.659   -29.003 1   35.286 ? 61  GLN   A OE1   1 ? 1 
ATOM   479  N  NE2   . GLN   A 1 62  ? 30.36  -0.258  -27.812 1   31.924 ? 61  GLN   A NE2   1 ? 1 
ATOM   480  N  N     . GLU   A 1 63  ? 25.882 2.727   -27.21  1   15.67  ? 62  GLU   A N     1 ? 1 
ATOM   481  C  CA    . GLU   A 1 63  ? 24.768 3.675   -27.208 1   14.933 ? 62  GLU   A CA    1 ? 1 
ATOM   482  C  C     . GLU   A 1 63  ? 24.286 3.799   -28.652 1   16.474 ? 62  GLU   A C     1 ? 1 
ATOM   483  O  O     . GLU   A 1 63  ? 25.013 4.329   -29.505 1   18.21  ? 62  GLU   A O     1 ? 1 
ATOM   484  C  CB    . GLU   A 1 63  ? 25.251 5.024   -26.687 1   14.801 ? 62  GLU   A CB    1 ? 1 
ATOM   485  C  CG    . GLU   A 1 63  ? 24.131 6.068   -26.684 1   14.797 ? 62  GLU   A CG    1 ? 1 
ATOM   486  C  CD    . GLU   A 1 63  ? 24.509 7.413   -26.068 1   15.298 ? 62  GLU   A CD    1 ? 1 
ATOM   487  O  OE1   . GLU   A 1 63  ? 25.651 7.563   -25.608 1   16.351 ? 62  GLU   A OE1   1 ? 1 
ATOM   488  O  OE2   . GLU   A 1 63  ? 23.674 8.318   -26.184 1   15.717 ? 62  GLU   A OE2   1 ? 1 
ATOM   489  N  N     . GLU   A 1 64  ? 23.056 3.373   -28.906 1   15.993 ? 63  GLU   A N     1 ? 1 
ATOM   490  C  CA    . GLU   A 1 64  ? 22.431 3.431   -30.236 1   17.741 ? 63  GLU   A CA    1 ? 1 
ATOM   491  C  C     . GLU   A 1 64  ? 20.918 3.469   -30.05  1   17.213 ? 63  GLU   A C     1 ? 1 
ATOM   492  O  O     . GLU   A 1 64  ? 20.434 2.922   -29.067 1   16.6   ? 63  GLU   A O     1 ? 1 
ATOM   493  C  CB    . GLU   A 1 64  ? 22.784 2.221   -31.121 1   19.5   ? 63  GLU   A CB    1 ? 1 
ATOM   494  N  N     . TYR   A 1 65  ? 20.185 4.092   -30.981 1   18.873 ? 64  TYR   A N     1 ? 1 
ATOM   495  C  CA    . TYR   A 1 65  ? 18.773 4.417   -30.849 1   18.942 ? 64  TYR   A CA    1 ? 1 
ATOM   496  C  C     . TYR   A 1 65  ? 17.882 3.992   -32.002 1   21.81  ? 64  TYR   A C     1 ? 1 
ATOM   497  O  O     . TYR   A 1 65  ? 17.022 4.731   -32.442 1   27.112 ? 64  TYR   A O     1 ? 1 
ATOM   498  C  CB    . TYR   A 1 65  ? 18.58  5.923   -30.683 1   18.984 ? 64  TYR   A CB    1 ? 1 
ATOM   499  C  CG    . TYR   A 1 65  ? 19.245 6.472   -29.446 1   17.366 ? 64  TYR   A CG    1 ? 1 
ATOM   500  C  CD1   . TYR   A 1 65  ? 18.565 6.538   -28.234 1   16.237 ? 64  TYR   A CD1   1 ? 1 
ATOM   501  C  CD2   . TYR   A 1 65  ? 20.574 6.907   -29.502 1   17.646 ? 64  TYR   A CD2   1 ? 1 
ATOM   502  C  CE1   . TYR   A 1 65  ? 19.192 6.985   -27.093 1   15.239 ? 64  TYR   A CE1   1 ? 1 
ATOM   503  C  CE2   . TYR   A 1 65  ? 21.213 7.362   -28.361 1   16.417 ? 64  TYR   A CE2   1 ? 1 
ATOM   504  C  CZ    . TYR   A 1 65  ? 20.509 7.419   -27.168 1   15.587 ? 64  TYR   A CZ    1 ? 1 
ATOM   505  O  OH    . TYR   A 1 65  ? 21.113 7.87    -26.019 1   15.444 ? 64  TYR   A OH    1 ? 1 
ATOM   506  N  N     . SER   A 1 66  ? 17.896 2.759   -32.357 1   23.86  ? 65  SER   A N     1 ? 1 
ATOM   507  C  CA    . SER   A 1 66  ? 17.071 2.278   -33.469 1   26.729 ? 65  SER   A CA    1 ? 1 
ATOM   508  C  C     . SER   A 1 66  ? 15.602 2.049   -33.042 1   27.229 ? 65  SER   A C     1 ? 1 
ATOM   509  O  O     . SER   A 1 66  ? 15.3   1.841   -31.868 1   27.52  ? 65  SER   A O     1 ? 1 
ATOM   510  C  CB    . SER   A 1 66  ? 17.672 1.011   -33.999 1   28.557 ? 65  SER   A CB    1 ? 1 
ATOM   511  O  OG    . SER   A 1 66  ? 17.558 0.005   -33.011 1   27.965 ? 65  SER   A OG    1 ? 1 
ATOM   512  N  N     . ALA   A 1 67  ? 14.732 1.83    -34.052 1   28.77  ? 66  ALA   A N     1 ? 1 
ATOM   513  C  CA    . ALA   A 1 67  ? 13.349 1.419   -33.869 1   28.893 ? 66  ALA   A CA    1 ? 1 
ATOM   514  C  C     . ALA   A 1 67  ? 13.304 0.041   -33.193 1   28.087 ? 66  ALA   A C     1 ? 1 
ATOM   515  O  O     . ALA   A 1 67  ? 12.493 -0.165  -32.285 1   28.328 ? 66  ALA   A O     1 ? 1 
ATOM   516  C  CB    . ALA   A 1 67  ? 12.602 1.384   -35.191 1   31.825 ? 66  ALA   A CB    1 ? 1 
ATOM   517  N  N     . MET   A 1 68  ? 14.216 -0.868  -33.609 1   28.094 ? 67  MET   A N     1 ? 1 
ATOM   518  C  CA    . MET   A 1 68  ? 14.32  -2.199  -33.011 1   27.909 ? 67  MET   A CA    1 ? 1 
ATOM   519  C  C     . MET   A 1 68  ? 14.663 -2.099  -31.531 1   24.646 ? 67  MET   A C     1 ? 1 
ATOM   520  O  O     . MET   A 1 68  ? 14.046 -2.785  -30.706 1   24.38  ? 67  MET   A O     1 ? 1 
ATOM   521  C  CB    . MET   A 1 68  ? 15.358 -3.046  -33.765 1   30.797 ? 67  MET   A CB    1 ? 1 
ATOM   522  C  CG    . MET   A 1 68  ? 15.712 -4.4    -33.163 1   34.298 ? 67  MET   A CG    1 ? 1 
ATOM   523  S  SD    . MET   A 1 68  ? 17.059 -5.134  -34.107 1   46.952 ? 67  MET   A SD    1 ? 1 
ATOM   524  C  CE    . MET   A 1 68  ? 17.972 -6.106  -32.899 1   45.375 ? 67  MET   A CE    1 ? 1 
ATOM   525  N  N     . ARG   A 1 69  ? 15.643 -1.259  -31.177 1   22.49  ? 68  ARG   A N     1 ? 1 
ATOM   526  C  CA    . ARG   A 1 69  ? 15.964 -1.036  -29.769 1   20.332 ? 68  ARG   A CA    1 ? 1 
ATOM   527  C  C     . ARG   A 1 69  ? 14.767 -0.506  -28.978 1   19.194 ? 68  ARG   A C     1 ? 1 
ATOM   528  O  O     . ARG   A 1 69  ? 14.455 -1.001  -27.888 1   18.641 ? 68  ARG   A O     1 ? 1 
ATOM   529  C  CB    . ARG   A 1 69  ? 17.186 -0.144  -29.593 1   19.711 ? 68  ARG   A CB    1 ? 1 
ATOM   530  C  CG    . ARG   A 1 69  ? 17.49  0.23    -28.15  1   18.648 ? 68  ARG   A CG    1 ? 1 
ATOM   531  C  CD    . ARG   A 1 69  ? 17.76  -0.918  -27.215 1   18.425 ? 68  ARG   A CD    1 ? 1 
ATOM   532  N  NE    . ARG   A 1 69  ? 18.981 -1.615  -27.6   1   20.05  ? 68  ARG   A NE    1 ? 1 
ATOM   533  C  CZ    . ARG   A 1 69  ? 19.417 -2.704  -26.985 1   20.783 ? 68  ARG   A CZ    1 ? 1 
ATOM   534  N  NH1   . ARG   A 1 69  ? 18.732 -3.202  -25.974 1   20.848 ? 68  ARG   A NH1   1 ? 1 
ATOM   535  N  NH2   . ARG   A 1 69  ? 20.523 -3.303  -27.389 1   23.182 ? 68  ARG   A NH2   1 ? 1 
ATOM   536  N  N     . ASP   A 1 70  ? 14.107 0.534   -29.495 1   19.535 ? 69  ASP   A N     1 ? 1 
ATOM   537  C  CA    . ASP   A 1 70  ? 12.949 1.081   -28.806 1   19.906 ? 69  ASP   A CA    1 ? 1 
ATOM   538  C  C     . ASP   A 1 70  ? 11.863 0.031   -28.575 1   21.433 ? 69  ASP   A C     1 ? 1 
ATOM   539  O  O     . ASP   A 1 70  ? 11.315 -0.022  -27.488 1   21.716 ? 69  ASP   A O     1 ? 1 
ATOM   540  C  CB    . ASP   A 1 70  ? 12.353 2.25    -29.567 1   20.359 ? 69  ASP   A CB    1 ? 1 
ATOM   541  C  CG    . ASP   A 1 70  ? 13.147 3.555   -29.525 1   19.898 ? 69  ASP   A CG    1 ? 1 
ATOM   542  O  OD1   . ASP   A 1 70  ? 14.122 3.631   -28.719 1   19.272 ? 69  ASP   A OD1   1 ? 1 
ATOM   543  O  OD2   . ASP   A 1 70  ? 12.748 4.484   -30.229 1   21.233 ? 69  ASP   A OD2   1 ? 1 
ATOM   544  N  N     . GLN   A 1 71  ? 11.579 -0.813  -29.576 1   23.923 ? 70  GLN   A N     1 ? 1 
ATOM   545  C  CA    . GLN   A 1 71  ? 10.569 -1.86   -29.468 1   26.798 ? 70  GLN   A CA    1 ? 1 
ATOM   546  C  C     . GLN   A 1 71  ? 10.937 -2.869  -28.397 1   25.792 ? 70  GLN   A C     1 ? 1 
ATOM   547  O  O     . GLN   A 1 71  ? 10.064 -3.278  -27.598 1   27.292 ? 70  GLN   A O     1 ? 1 
ATOM   548  C  CB    . GLN   A 1 71  ? 10.395 -2.515  -30.835 1   30.328 ? 70  GLN   A CB    1 ? 1 
ATOM   549  C  CG    . GLN   A 1 71  ? 9.66   -1.613  -31.829 1   34.616 ? 70  GLN   A CG    1 ? 1 
ATOM   550  C  CD    . GLN   A 1 71  ? 9.798  -1.991  -33.29  1   39.76  ? 70  GLN   A CD    1 ? 1 
ATOM   551  O  OE1   . GLN   A 1 71  ? 10.035 -3.153  -33.655 1   45.522 ? 70  GLN   A OE1   1 ? 1 
ATOM   552  N  NE2   . GLN   A 1 71  ? 9.594  -1      -34.153 1   42.453 ? 70  GLN   A NE2   1 ? 1 
ATOM   553  N  N     . TYR   A 1 72  ? 12.227 -3.246  -28.352 1   24.394 ? 71  TYR   A N     1 ? 1 
ATOM   554  C  CA    . TYR   A 1 72  ? 12.683 -4.227  -27.379 1   25.522 ? 71  TYR   A CA    1 ? 1 
ATOM   555  C  C     . TYR   A 1 72  ? 12.631 -3.666  -25.96  1   23.301 ? 71  TYR   A C     1 ? 1 
ATOM   556  O  O     . TYR   A 1 72  ? 12.232 -4.366  -25.022 1   25.685 ? 71  TYR   A O     1 ? 1 
ATOM   557  C  CB    . TYR   A 1 72  ? 14.092 -4.684  -27.729 1   26.623 ? 71  TYR   A CB    1 ? 1 
ATOM   558  C  CG    . TYR   A 1 72  ? 14.539 -5.916  -26.983 1   29.354 ? 71  TYR   A CG    1 ? 1 
ATOM   559  C  CD1   . TYR   A 1 72  ? 13.718 -7.05   -26.855 1   33.583 ? 71  TYR   A CD1   1 ? 1 
ATOM   560  C  CD2   . TYR   A 1 72  ? 15.823 -5.972  -26.465 1   30.155 ? 71  TYR   A CD2   1 ? 1 
ATOM   561  C  CE1   . TYR   A 1 72  ? 14.162 -8.172  -26.172 1   35.852 ? 71  TYR   A CE1   1 ? 1 
ATOM   562  C  CE2   . TYR   A 1 72  ? 16.277 -7.098  -25.797 1   31.946 ? 71  TYR   A CE2   1 ? 1 
ATOM   563  C  CZ    . TYR   A 1 72  ? 15.449 -8.193  -25.656 1   33.799 ? 71  TYR   A CZ    1 ? 1 
ATOM   564  O  OH    . TYR   A 1 72  ? 15.894 -9.297  -25.028 1   38.018 ? 71  TYR   A OH    1 ? 1 
ATOM   565  N  N     . MET   A 1 73  ? 13.05  -2.407  -25.779 1   20.288 ? 72  MET   A N     1 ? 1 
ATOM   566  C  CA    . MET   A 1 73  ? 12.99  -1.804  -24.45  1   18.579 ? 72  MET   A CA    1 ? 1 
ATOM   567  C  C     . MET   A 1 73  ? 11.556 -1.594  -23.966 1   18.655 ? 72  MET   A C     1 ? 1 
ATOM   568  O  O     . MET   A 1 73  ? 11.291 -1.758  -22.76  1   18.405 ? 72  MET   A O     1 ? 1 
ATOM   569  C  CB    . MET   A 1 73  ? 13.809 -0.515  -24.395 1   17.477 ? 72  MET   A CB    1 ? 1 
ATOM   570  C  CG    . MET   A 1 73  ? 15.267 -0.679  -24.749 1   18.158 ? 72  MET   A CG    1 ? 1 
ATOM   571  S  SD    . MET   A 1 73  ? 16.161 -1.842  -23.733 1   19.517 ? 72  MET   A SD    1 ? 1 
ATOM   572  C  CE    . MET   A 1 73  ? 16.583 -0.701  -22.431 1   18.246 ? 72  MET   A CE    1 ? 1 
ATOM   573  N  N     . ARG   A 1 74  ? 10.624 -1.337  -24.894 1   19.962 ? 73  ARG   A N     1 ? 1 
ATOM   574  C  CA    . ARG   A 1 74  ? 9.216  -1.153  -24.556 1   22.058 ? 73  ARG   A CA    1 ? 1 
ATOM   575  C  C     . ARG   A 1 74  ? 8.574  -2.444  -24.021 1   21.884 ? 73  ARG   A C     1 ? 1 
ATOM   576  O  O     . ARG   A 1 74  ? 7.537  -2.359  -23.354 1   23.373 ? 73  ARG   A O     1 ? 1 
ATOM   577  C  CB    . ARG   A 1 74  ? 8.514  -0.666  -25.828 1   25.668 ? 73  ARG   A CB    1 ? 1 
ATOM   578  C  CG    . ARG   A 1 74  ? 7.045  -0.288  -25.747 1   28.599 ? 73  ARG   A CG    1 ? 1 
ATOM   579  C  CD    . ARG   A 1 74  ? 6.615  0.187   -27.115 1   30.545 ? 73  ARG   A CD    1 ? 1 
ATOM   580  N  NE    . ARG   A 1 74  ? 7.326  1.408   -27.524 1   31.697 ? 73  ARG   A NE    1 ? 1 
ATOM   581  C  CZ    . ARG   A 1 74  ? 8.006  1.674   -28.647 1   33.584 ? 73  ARG   A CZ    1 ? 1 
ATOM   582  N  NH1   . ARG   A 1 74  ? 8.549  2.874   -28.804 1   33.149 ? 73  ARG   A NH1   1 ? 1 
ATOM   583  N  NH2   . ARG   A 1 74  ? 8.102  0.793   -29.644 1   36.72  ? 73  ARG   A NH2   1 ? 1 
ATOM   584  N  N     . THR   A 1 75  ? 9.169  -3.624  -24.299 1   21.618 ? 74  THR   A N     1 ? 1 
ATOM   585  C  CA    . THR   A 1 75  ? 8.674  -4.879  -23.755 1   22.569 ? 74  THR   A CA    1 ? 1 
ATOM   586  C  C     . THR   A 1 75  ? 8.885  -4.946  -22.241 1   19.112 ? 74  THR   A C     1 ? 1 
ATOM   587  O  O     . THR   A 1 75  ? 8.229  -5.748  -21.592 1   20.925 ? 74  THR   A O     1 ? 1 
ATOM   588  C  CB    . THR   A 1 75  ? 9.261  -6.122  -24.44  1   24.945 ? 74  THR   A CB    1 ? 1 
ATOM   589  O  OG1   . THR   A 1 75  ? 10.626 -6.329  -24.082 1   26.211 ? 74  THR   A OG1   1 ? 1 
ATOM   590  C  CG2   . THR   A 1 75  ? 9.018  -6.165  -25.941 1   28.052 ? 74  THR   A CG2   1 ? 1 
ATOM   591  N  N     . GLY   A 1 76  ? 9.794  -4.149  -21.677 1   16.833 ? 75  GLY   A N     1 ? 1 
ATOM   592  C  CA    . GLY   A 1 76  ? 10.042 -4.164  -20.248 1   14.735 ? 75  GLY   A CA    1 ? 1 
ATOM   593  C  C     . GLY   A 1 76  ? 8.864  -3.602  -19.475 1   13.932 ? 75  GLY   A C     1 ? 1 
ATOM   594  O  O     . GLY   A 1 76  ? 8.266  -2.607  -19.869 1   15.269 ? 75  GLY   A O     1 ? 1 
ATOM   595  N  N     . GLU   A 1 77  ? 8.489  -4.305  -18.408 1   13.145 ? 76  GLU   A N     1 ? 1 
ATOM   596  C  CA    . GLU   A 1 77  ? 7.405  -3.904  -17.52  1   13.551 ? 76  GLU   A CA    1 ? 1 
ATOM   597  C  C     . GLU   A 1 77  ? 7.915  -3.095  -16.342 1   12.532 ? 76  GLU   A C     1 ? 1 
ATOM   598  O  O     . GLU   A 1 77  ? 7.2    -2.311  -15.741 1   14.715 ? 76  GLU   A O     1 ? 1 
ATOM   599  C  CB    . GLU   A 1 77  ? 6.632  -5.104  -16.982 1   15.466 ? 76  GLU   A CB    1 ? 1 
ATOM   600  C  CG    . GLU   A 1 77  ? 5.848  -5.853  -18.044 1   19.248 ? 76  GLU   A CG    1 ? 1 
ATOM   601  C  CD    . GLU   A 1 77  ? 5.158  -7.048  -17.415 1   22.801 ? 76  GLU   A CD    1 ? 1 
ATOM   602  O  OE1   . GLU   A 1 77  ? 5.84   -8.038  -17.253 1   23.063 ? 76  GLU   A OE1   1 ? 1 
ATOM   603  O  OE2   . GLU   A 1 77  ? 3.996  -6.961  -16.968 1   29.982 ? 76  GLU   A OE2   1 ? 1 
ATOM   604  N  N     . GLY   A 1 78  ? 9.157  -3.323  -15.953 1   11.305 ? 77  GLY   A N     1 ? 1 
ATOM   605  C  CA    . GLY   A 1 78  ? 9.807  -2.582  -14.903 1   10.843 ? 77  GLY   A CA    1 ? 1 
ATOM   606  C  C     . GLY   A 1 78  ? 11.305 -2.537  -15.125 1   9.67   ? 77  GLY   A C     1 ? 1 
ATOM   607  O  O     . GLY   A 1 78  ? 11.859 -3.425  -15.776 1   10.117 ? 77  GLY   A O     1 ? 1 
ATOM   608  N  N     . PHE   A 1 79  ? 11.927 -1.489  -14.611 1   9.376  ? 78  PHE   A N     1 ? 1 
ATOM   609  C  CA    . PHE   A 1 79  ? 13.317 -1.166  -14.894 1   9.07   ? 78  PHE   A CA    1 ? 1 
ATOM   610  C  C     . PHE   A 1 79  ? 14.101 -0.988  -13.604 1   9.112  ? 78  PHE   A C     1 ? 1 
ATOM   611  O  O     . PHE   A 1 79  ? 13.717 -0.175  -12.769 1   10.57  ? 78  PHE   A O     1 ? 1 
ATOM   612  C  CB    . PHE   A 1 79  ? 13.435 0.066   -15.792 1   9.768  ? 78  PHE   A CB    1 ? 1 
ATOM   613  C  CG    . PHE   A 1 79  ? 12.77  -0.132  -17.137 1   10.425 ? 78  PHE   A CG    1 ? 1 
ATOM   614  C  CD1   . PHE   A 1 79  ? 13.528 -0.452  -18.256 1   10.967 ? 78  PHE   A CD1   1 ? 1 
ATOM   615  C  CD2   . PHE   A 1 79  ? 11.379 -0.069  -17.261 1   11.799 ? 78  PHE   A CD2   1 ? 1 
ATOM   616  C  CE1   . PHE   A 1 79  ? 12.909 -0.681  -19.473 1   12.561 ? 78  PHE   A CE1   1 ? 1 
ATOM   617  C  CE2   . PHE   A 1 79  ? 10.777 -0.355  -18.471 1   13.222 ? 78  PHE   A CE2   1 ? 1 
ATOM   618  C  CZ    . PHE   A 1 79  ? 11.551 -0.648  -19.581 1   13.515 ? 78  PHE   A CZ    1 ? 1 
ATOM   619  N  N     A LEU   A 1 80  ? 15.217 -1.722  -13.447 0.5 8.383  ? 79  LEU   A N     1 ? 1 
ATOM   620  N  N     B LEU   A 1 80  ? 15.235 -1.67   -13.508 0.5 8.77   ? 79  LEU   A N     1 ? 1 
ATOM   621  C  CA    A LEU   A 1 80  ? 16.219 -1.397  -12.447 0.5 8.535  ? 79  LEU   A CA    1 ? 1 
ATOM   622  C  CA    B LEU   A 1 80  ? 16.176 -1.444  -12.44  0.5 9.455  ? 79  LEU   A CA    1 ? 1 
ATOM   623  C  C     A LEU   A 1 80  ? 17.15  -0.401  -13.097 0.5 8.611  ? 79  LEU   A C     1 ? 1 
ATOM   624  C  C     B LEU   A 1 80  ? 17.25  -0.5    -12.969 0.5 9.056  ? 79  LEU   A C     1 ? 1 
ATOM   625  O  O     A LEU   A 1 80  ? 17.763 -0.68   -14.121 0.5 9.099  ? 79  LEU   A O     1 ? 1 
ATOM   626  O  O     B LEU   A 1 80  ? 18.03  -0.888  -13.838 0.5 9.461  ? 79  LEU   A O     1 ? 1 
ATOM   627  C  CB    A LEU   A 1 80  ? 17.083 -2.525  -11.885 0.5 8.335  ? 79  LEU   A CB    1 ? 1 
ATOM   628  C  CB    B LEU   A 1 80  ? 16.66  -2.858  -12.118 0.5 10.283 ? 79  LEU   A CB    1 ? 1 
ATOM   629  C  CG    A LEU   A 1 80  ? 16.336 -3.609  -11.119 0.5 8.364  ? 79  LEU   A CG    1 ? 1 
ATOM   630  C  CG    B LEU   A 1 80  ? 17.214 -3.087  -10.722 0.5 11.284 ? 79  LEU   A CG    1 ? 1 
ATOM   631  C  CD1   A LEU   A 1 80  ? 17.331 -4.614  -10.589 0.5 8.671  ? 79  LEU   A CD1   1 ? 1 
ATOM   632  C  CD1   B LEU   A 1 80  ? 16.068 -3.145  -9.743  0.5 11.832 ? 79  LEU   A CD1   1 ? 1 
ATOM   633  C  CD2   A LEU   A 1 80  ? 15.454 -3.069  -9.991  0.5 8.58   ? 79  LEU   A CD2   1 ? 1 
ATOM   634  C  CD2   B LEU   A 1 80  ? 18.101 -4.301  -10.616 0.5 11.575 ? 79  LEU   A CD2   1 ? 1 
ATOM   635  N  N     . CYS   A 1 81  ? 17.279 0.744   -12.453 1   9.277  ? 80  CYS   A N     1 ? 1 
ATOM   636  C  CA    . CYS   A 1 81  ? 18.187 1.797   -12.894 1   9.496  ? 80  CYS   A CA    1 ? 1 
ATOM   637  C  C     . CYS   A 1 81  ? 19.38  1.769   -11.966 1   9.4    ? 80  CYS   A C     1 ? 1 
ATOM   638  O  O     . CYS   A 1 81  ? 19.277 2.222   -10.818 1   10.001 ? 80  CYS   A O     1 ? 1 
ATOM   639  C  CB    . CYS   A 1 81  ? 17.469 3.127   -12.896 1   11.006 ? 80  CYS   A CB    1 ? 1 
ATOM   640  S  SG    . CYS   A 1 81  ? 16.085 3.239   -14.049 1   15.255 ? 80  CYS   A SG    1 ? 1 
ATOM   641  N  N     . VAL   A 1 82  ? 20.499 1.239   -12.47  1   8.714  ? 81  VAL   A N     1 ? 1 
ATOM   642  C  CA    . VAL   A 1 82  ? 21.641 0.939   -11.624 1   8.613  ? 81  VAL   A CA    1 ? 1 
ATOM   643  C  C     . VAL   A 1 82  ? 22.754 1.952   -11.832 1   9.113  ? 81  VAL   A C     1 ? 1 
ATOM   644  O  O     . VAL   A 1 82  ? 23.144 2.214   -12.957 1   9.78   ? 81  VAL   A O     1 ? 1 
ATOM   645  C  CB    . VAL   A 1 82  ? 22.169 -0.484  -11.904 1   8.938  ? 81  VAL   A CB    1 ? 1 
ATOM   646  C  CG1   . VAL   A 1 82  ? 23.262 -0.883  -10.921 1   9.575  ? 81  VAL   A CG1   1 ? 1 
ATOM   647  C  CG2   . VAL   A 1 82  ? 21.037 -1.516  -11.845 1   9.43   ? 81  VAL   A CG2   1 ? 1 
ATOM   648  N  N     . PHE   A 1 83  ? 23.296 2.442   -10.711 1   9.077  ? 82  PHE   A N     1 ? 1 
ATOM   649  C  CA    . PHE   A 1 83  ? 24.556 3.161   -10.696 1   9.623  ? 82  PHE   A CA    1 ? 1 
ATOM   650  C  C     . PHE   A 1 83  ? 25.475 2.481   -9.701  1   9.985  ? 82  PHE   A C     1 ? 1 
ATOM   651  O  O     . PHE   A 1 83  ? 25.026 1.648   -8.933  1   10.627 ? 82  PHE   A O     1 ? 1 
ATOM   652  C  CB    . PHE   A 1 83  ? 24.368 4.651   -10.417 1   10.531 ? 82  PHE   A CB    1 ? 1 
ATOM   653  C  CG    . PHE   A 1 83  ? 23.942 4.978   -9.003  1   10.637 ? 82  PHE   A CG    1 ? 1 
ATOM   654  C  CD1   . PHE   A 1 83  ? 24.899 5.314   -8.065  1   11.227 ? 82  PHE   A CD1   1 ? 1 
ATOM   655  C  CD2   . PHE   A 1 83  ? 22.627 4.895   -8.605  1   10.728 ? 82  PHE   A CD2   1 ? 1 
ATOM   656  C  CE1   . PHE   A 1 83  ? 24.531 5.573   -6.756  1   12.35  ? 82  PHE   A CE1   1 ? 1 
ATOM   657  C  CE2   . PHE   A 1 83  ? 22.229 5.143   -7.302  1   11.306 ? 82  PHE   A CE2   1 ? 1 
ATOM   658  C  CZ    . PHE   A 1 83  ? 23.19  5.482   -6.365  1   12.437 ? 82  PHE   A CZ    1 ? 1 
ATOM   659  N  N     . ALA   A 1 84  ? 26.756 2.878   -9.702  1   10.958 ? 83  ALA   A N     1 ? 1 
ATOM   660  C  CA    . ALA   A 1 84  ? 27.703 2.4     -8.704  1   11.489 ? 83  ALA   A CA    1 ? 1 
ATOM   661  C  C     . ALA   A 1 84  ? 28.044 3.529   -7.751  1   12.555 ? 83  ALA   A C     1 ? 1 
ATOM   662  O  O     . ALA   A 1 84  ? 28.32  4.639   -8.226  1   13.421 ? 83  ALA   A O     1 ? 1 
ATOM   663  C  CB    . ALA   A 1 84  ? 28.922 1.865   -9.365  1   12.589 ? 83  ALA   A CB    1 ? 1 
ATOM   664  N  N     . ILE   A 1 85  ? 28.099 3.227   -6.447  1   12.919 ? 84  ILE   A N     1 ? 1 
ATOM   665  C  CA    A ILE   A 1 85  ? 28.276 4.253   -5.418  0.5 14.164 ? 84  ILE   A CA    1 ? 1 
ATOM   666  C  CA    B ILE   A 1 85  ? 28.256 4.275   -5.435  0.5 14.272 ? 84  ILE   A CA    1 ? 1 
ATOM   667  C  C     . ILE   A 1 85  ? 29.661 4.896   -5.453  1   15.554 ? 84  ILE   A C     1 ? 1 
ATOM   668  O  O     . ILE   A 1 85  ? 29.863 5.917   -4.78   1   17.417 ? 84  ILE   A O     1 ? 1 
ATOM   669  C  CB    A ILE   A 1 85  ? 27.97  3.725   -4.006  0.5 15.071 ? 84  ILE   A CB    1 ? 1 
ATOM   670  C  CB    B ILE   A 1 85  ? 27.763 3.807   -4.043  0.5 15.353 ? 84  ILE   A CB    1 ? 1 
ATOM   671  C  CG1   A ILE   A 1 85  ? 28.977 2.689   -3.493  0.5 15.419 ? 84  ILE   A CG1   1 ? 1 
ATOM   672  C  CG1   B ILE   A 1 85  ? 28.54  2.607   -3.431  0.5 16.135 ? 84  ILE   A CG1   1 ? 1 
ATOM   673  C  CG2   A ILE   A 1 85  ? 26.546 3.188   -3.908  0.5 14.365 ? 84  ILE   A CG2   1 ? 1 
ATOM   674  C  CG2   B ILE   A 1 85  ? 26.263 3.483   -4.106  0.5 14.582 ? 84  ILE   A CG2   1 ? 1 
ATOM   675  C  CD1   A ILE   A 1 85  ? 28.965 2.567   -1.984  0.5 16.783 ? 84  ILE   A CD1   1 ? 1 
ATOM   676  C  CD1   B ILE   A 1 85  ? 29.95  2.856   -2.943  0.5 18.242 ? 84  ILE   A CD1   1 ? 1 
ATOM   677  N  N     . ASN   A 1 86  ? 30.622 4.257   -6.148  1   16.118 ? 85  ASN   A N     1 ? 1 
ATOM   678  C  CA    . ASN   A 1 86  ? 31.973 4.791   -6.327  1   17.648 ? 85  ASN   A CA    1 ? 1 
ATOM   679  C  C     . ASN   A 1 86  ? 32.156 5.539   -7.647  1   18.314 ? 85  ASN   A C     1 ? 1 
ATOM   680  O  O     . ASN   A 1 86  ? 33.285 5.839   -8.011  1   21.213 ? 85  ASN   A O     1 ? 1 
ATOM   681  C  CB    . ASN   A 1 86  ? 33.016 3.671   -6.206  1   17.796 ? 85  ASN   A CB    1 ? 1 
ATOM   682  C  CG    . ASN   A 1 86  ? 32.921 2.678   -7.343  1   17.119 ? 85  ASN   A CG    1 ? 1 
ATOM   683  O  OD1   . ASN   A 1 86  ? 31.857 2.521   -7.952  1   17.05  ? 85  ASN   A OD1   1 ? 1 
ATOM   684  N  ND2   . ASN   A 1 86  ? 34.003 1.955   -7.6    1   17.834 ? 85  ASN   A ND2   1 ? 1 
ATOM   685  N  N     . ASN   A 1 87  ? 31.084 5.779   -8.428  1   17.108 ? 86  ASN   A N     1 ? 1 
ATOM   686  C  CA    . ASN   A 1 87  ? 31.177 6.318   -9.78   1   17.195 ? 86  ASN   A CA    1 ? 1 
ATOM   687  C  C     . ASN   A 1 87  ? 30.107 7.393   -9.955  1   16.502 ? 86  ASN   A C     1 ? 1 
ATOM   688  O  O     . ASN   A 1 87  ? 28.957 7.105   -10.297 1   15.589 ? 86  ASN   A O     1 ? 1 
ATOM   689  C  CB    . ASN   A 1 87  ? 31.098 5.187   -10.795 1   17.362 ? 86  ASN   A CB    1 ? 1 
ATOM   690  C  CG    . ASN   A 1 87  ? 31.507 5.662   -12.167 1   19.156 ? 86  ASN   A CG    1 ? 1 
ATOM   691  O  OD1   . ASN   A 1 87  ? 30.921 6.6     -12.707 1   19.113 ? 86  ASN   A OD1   1 ? 1 
ATOM   692  N  ND2   . ASN   A 1 87  ? 32.558 5.086   -12.719 1   21.672 ? 86  ASN   A ND2   1 ? 1 
ATOM   693  N  N     . THR   A 1 88  ? 30.495 8.661   -9.777  1   18.061 ? 87  THR   A N     1 ? 1 
ATOM   694  C  CA    . THR   A 1 88  ? 29.528 9.755   -9.842  1   18.738 ? 87  THR   A CA    1 ? 1 
ATOM   695  C  C     . THR   A 1 88  ? 28.937 9.864   -11.246 1   18.068 ? 87  THR   A C     1 ? 1 
ATOM   696  O  O     . THR   A 1 88  ? 27.771 10.195  -11.374 1   16.339 ? 87  THR   A O     1 ? 1 
ATOM   697  C  CB    . THR   A 1 88  ? 30.155 11.076  -9.387  1   22.135 ? 87  THR   A CB    1 ? 1 
ATOM   698  O  OG1   . THR   A 1 88  ? 30.543 10.846  -8.034  1   25.03  ? 87  THR   A OG1   1 ? 1 
ATOM   699  C  CG2   . THR   A 1 88  ? 29.169 12.22   -9.414  1   24.255 ? 87  THR   A CG2   1 ? 1 
ATOM   700  N  N     . LYS   A 1 89  ? 29.742 9.668   -12.293 1   18.384 ? 88  LYS   A N     1 ? 1 
ATOM   701  C  CA    . LYS   A 1 89  ? 29.237 9.742   -13.662 1   18.196 ? 88  LYS   A CA    1 ? 1 
ATOM   702  C  C     . LYS   A 1 89  ? 28.106 8.725   -13.875 1   15.861 ? 88  LYS   A C     1 ? 1 
ATOM   703  O  O     . LYS   A 1 89  ? 27.111 9.073   -14.489 1   15.596 ? 88  LYS   A O     1 ? 1 
ATOM   704  C  CB    . LYS   A 1 89  ? 30.356 9.496   -14.673 1   20.503 ? 88  LYS   A CB    1 ? 1 
ATOM   705  C  CG    . LYS   A 1 89  ? 29.955 9.663   -16.115 1   25.354 ? 88  LYS   A CG    1 ? 1 
ATOM   706  C  CD    . LYS   A 1 89  ? 31.108 9.417   -17.084 1   30.796 ? 88  LYS   A CD    1 ? 1 
ATOM   707  C  CE    . LYS   A 1 89  ? 31.126 10.245  -18.336 1   36.748 ? 88  LYS   A CE    1 ? 1 
ATOM   708  N  NZ    . LYS   A 1 89  ? 29.826 10.429  -18.977 1   40.806 ? 88  LYS   A NZ    1 ? 1 
ATOM   709  N  N     . SER   A 1 90  ? 28.209 7.52    -13.287 1   14.13  ? 89  SER   A N     1 ? 1 
ATOM   710  C  CA    . SER   A 1 90  ? 27.146 6.541   -13.436 1   13.549 ? 89  SER   A CA    1 ? 1 
ATOM   711  C  C     . SER   A 1 90  ? 25.848 7.027   -12.782 1   12.554 ? 89  SER   A C     1 ? 1 
ATOM   712  O  O     . SER   A 1 90  ? 24.761 6.696   -13.278 1   12.619 ? 89  SER   A O     1 ? 1 
ATOM   713  C  CB    . SER   A 1 90  ? 27.54  5.177   -12.928 1   12.819 ? 89  SER   A CB    1 ? 1 
ATOM   714  O  OG    . SER   A 1 90  ? 27.593 5.061   -11.506 1   13.512 ? 89  SER   A OG    1 ? 1 
ATOM   715  N  N     . PHE   A 1 91  ? 25.953 7.754   -11.657 1   13.005 ? 90  PHE   A N     1 ? 1 
ATOM   716  C  CA    . PHE   A 1 91  ? 24.801 8.361   -11.006 1   12.651 ? 90  PHE   A CA    1 ? 1 
ATOM   717  C  C     . PHE   A 1 91  ? 24.172 9.453   -11.865 1   13.504 ? 90  PHE   A C     1 ? 1 
ATOM   718  O  O     . PHE   A 1 91  ? 22.958 9.505   -12.006 1   14.212 ? 90  PHE   A O     1 ? 1 
ATOM   719  C  CB    . PHE   A 1 91  ? 25.248 8.833   -9.617  1   13.865 ? 90  PHE   A CB    1 ? 1 
ATOM   720  C  CG    . PHE   A 1 91  ? 24.126 9.465   -8.827  1   14.532 ? 90  PHE   A CG    1 ? 1 
ATOM   721  C  CD1   . PHE   A 1 91  ? 23.091 8.695   -8.349  1   13.729 ? 90  PHE   A CD1   1 ? 1 
ATOM   722  C  CD2   . PHE   A 1 91  ? 24.189 10.805  -8.482  1   17.078 ? 90  PHE   A CD2   1 ? 1 
ATOM   723  C  CE1   . PHE   A 1 91  ? 22.097 9.241   -7.568  1   15.139 ? 90  PHE   A CE1   1 ? 1 
ATOM   724  C  CE2   . PHE   A 1 91  ? 23.208 11.368  -7.689  1   18.21  ? 90  PHE   A CE2   1 ? 1 
ATOM   725  C  CZ    . PHE   A 1 91  ? 22.14  10.571  -7.255  1   16.978 ? 90  PHE   A CZ    1 ? 1 
ATOM   726  N  N     . GLU   A 1 92  ? 25.016 10.307  -12.434 1   14.538 ? 91  GLU   A N     1 ? 1 
ATOM   727  C  CA    . GLU   A 1 92  ? 24.544 11.384  -13.301 1   15.789 ? 91  GLU   A CA    1 ? 1 
ATOM   728  C  C     . GLU   A 1 92  ? 23.864 10.842  -14.553 1   15.445 ? 91  GLU   A C     1 ? 1 
ATOM   729  O  O     . GLU   A 1 92  ? 22.967 11.484  -15.083 1   17.654 ? 91  GLU   A O     1 ? 1 
ATOM   730  C  CB    . GLU   A 1 92  ? 25.708 12.3    -13.669 1   18.325 ? 91  GLU   A CB    1 ? 1 
ATOM   731  C  CG    . GLU   A 1 92  ? 26.366 13.067  -12.52  1   22.565 ? 91  GLU   A CG    1 ? 1 
ATOM   732  C  CD    . GLU   A 1 92  ? 27.777 13.63   -12.814 1   28.225 ? 91  GLU   A CD    1 ? 1 
ATOM   733  O  OE1   . GLU   A 1 92  ? 28.463 13.38   -13.875 1   33.751 ? 91  GLU   A OE1   1 ? 1 
ATOM   734  O  OE2   . GLU   A 1 92  ? 28.235 14.37   -11.902 1   35.994 ? 91  GLU   A OE2   1 ? 1 
ATOM   735  N  N     . ASP   A 1 93  ? 24.238 9.637   -15.023 1   14.615 ? 92  ASP   A N     1 ? 1 
ATOM   736  C  CA    . ASP   A 1 93  ? 23.604 9.007   -16.178 1   15.579 ? 92  ASP   A CA    1 ? 1 
ATOM   737  C  C     . ASP   A 1 93  ? 22.176 8.527   -15.927 1   14.09  ? 92  ASP   A C     1 ? 1 
ATOM   738  O  O     . ASP   A 1 93  ? 21.452 8.228   -16.888 1   14.395 ? 92  ASP   A O     1 ? 1 
ATOM   739  C  CB    . ASP   A 1 93  ? 24.451 7.814   -16.604 1   17.069 ? 92  ASP   A CB    1 ? 1 
ATOM   740  C  CG    . ASP   A 1 93  ? 25.744 8.122   -17.319 1   20.331 ? 92  ASP   A CG    1 ? 1 
ATOM   741  O  OD1   . ASP   A 1 93  ? 25.958 9.284   -17.719 1   22.936 ? 92  ASP   A OD1   1 ? 1 
ATOM   742  O  OD2   . ASP   A 1 93  ? 26.496 7.166   -17.488 1   23.383 ? 92  ASP   A OD2   1 ? 1 
ATOM   743  N  N     . ILE   A 1 94  ? 21.752 8.395   -14.667 1   13.622 ? 93  ILE   A N     1 ? 1 
ATOM   744  C  CA    . ILE   A 1 94  ? 20.43  7.859   -14.38  1   12.202 ? 93  ILE   A CA    1 ? 1 
ATOM   745  C  C     . ILE   A 1 94  ? 19.316 8.681   -15.041 1   12.694 ? 93  ILE   A C     1 ? 1 
ATOM   746  O  O     . ILE   A 1 94  ? 18.404 8.089   -15.611 1   13.509 ? 93  ILE   A O     1 ? 1 
ATOM   747  C  CB    . ILE   A 1 94  ? 20.231 7.701   -12.867 1   12.513 ? 93  ILE   A CB    1 ? 1 
ATOM   748  C  CG1   . ILE   A 1 94  ? 21.158 6.666   -12.238 1   12.631 ? 93  ILE   A CG1   1 ? 1 
ATOM   749  C  CG2   . ILE   A 1 94  ? 18.776 7.409   -12.506 1   12.964 ? 93  ILE   A CG2   1 ? 1 
ATOM   750  C  CD1   . ILE   A 1 94  ? 20.875 5.233   -12.643 1   12.172 ? 93  ILE   A CD1   1 ? 1 
ATOM   751  N  N     . HIS   A 1 95  ? 19.42  10.005  -15.012 1   13.334 ? 94  HIS   A N     1 ? 1 
ATOM   752  C  CA    . HIS   A 1 95  ? 18.39  10.841  -15.62  1   14.523 ? 94  HIS   A CA    1 ? 1 
ATOM   753  C  C     . HIS   A 1 95  ? 18.11  10.421  -17.07  1   13.216 ? 94  HIS   A C     1 ? 1 
ATOM   754  O  O     . HIS   A 1 95  ? 16.957 10.275  -17.471 1   13.579 ? 94  HIS   A O     1 ? 1 
ATOM   755  C  CB    . HIS   A 1 95  ? 18.748 12.328  -15.516 1   16.541 ? 94  HIS   A CB    1 ? 1 
ATOM   756  C  CG    . HIS   A 1 95  ? 17.818 13.259  -16.257 1   18.525 ? 94  HIS   A CG    1 ? 1 
ATOM   757  N  ND1   . HIS   A 1 95  ? 16.543 13.662  -15.915 1   21.489 ? 94  HIS   A ND1   1 ? 1 
ATOM   758  C  CD2   . HIS   A 1 95  ? 18.046 13.788  -17.453 1   18.728 ? 94  HIS   A CD2   1 ? 1 
ATOM   759  C  CE1   . HIS   A 1 95  ? 16.047 14.426  -16.89  1   20.167 ? 94  HIS   A CE1   1 ? 1 
ATOM   760  N  NE2   . HIS   A 1 95  ? 16.978 14.557  -17.823 1   21.265 ? 94  HIS   A NE2   1 ? 1 
ATOM   761  N  N     . HIS   A 1 96  ? 19.191 10.234  -17.839 1   12.667 ? 95  HIS   A N     1 ? 1 
ATOM   762  C  CA    . HIS   A 1 96  ? 19.039 9.86    -19.234 1   12.454 ? 95  HIS   A CA    1 ? 1 
ATOM   763  C  C     . HIS   A 1 96  ? 18.289 8.546   -19.361 1   11.599 ? 95  HIS   A C     1 ? 1 
ATOM   764  O  O     . HIS   A 1 96  ? 17.39  8.434   -20.205 1   11.837 ? 95  HIS   A O     1 ? 1 
ATOM   765  C  CB    . HIS   A 1 96  ? 20.408 9.789   -19.901 1   12.736 ? 95  HIS   A CB    1 ? 1 
ATOM   766  C  CG    . HIS   A 1 96  ? 20.395 9.275   -21.276 1   13.173 ? 95  HIS   A CG    1 ? 1 
ATOM   767  N  ND1   . HIS   A 1 96  ? 20.024 10.146  -22.298 1   13.944 ? 95  HIS   A ND1   1 ? 1 
ATOM   768  C  CD2   . HIS   A 1 96  ? 20.675 8.104   -21.872 1   13.57  ? 95  HIS   A CD2   1 ? 1 
ATOM   769  C  CE1   . HIS   A 1 96  ? 20.109 9.485   -23.464 1   14.716 ? 95  HIS   A CE1   1 ? 1 
ATOM   770  N  NE2   . HIS   A 1 96  ? 20.502 8.281   -23.216 1   14.696 ? 95  HIS   A NE2   1 ? 1 
ATOM   771  N  N     . TYR   A 1 97  ? 18.702 7.524   -18.609 1   11.114 ? 96  TYR   A N     1 ? 1 
ATOM   772  C  CA    . TYR   A 1 97  ? 17.995 6.236   -18.709 1   10.879 ? 96  TYR   A CA    1 ? 1 
ATOM   773  C  C     . TYR   A 1 97  ? 16.515 6.371   -18.353 1   11.099 ? 96  TYR   A C     1 ? 1 
ATOM   774  O  O     . TYR   A 1 97  ? 15.646 5.834   -19.06  1   11.768 ? 96  TYR   A O     1 ? 1 
ATOM   775  C  CB    . TYR   A 1 97  ? 18.654 5.135   -17.89  1   10.817 ? 96  TYR   A CB    1 ? 1 
ATOM   776  C  CG    . TYR   A 1 97  ? 20.012 4.756   -18.458 1   11.023 ? 96  TYR   A CG    1 ? 1 
ATOM   777  C  CD1   . TYR   A 1 97  ? 20.105 4.051   -19.646 1   12.057 ? 96  TYR   A CD1   1 ? 1 
ATOM   778  C  CD2   . TYR   A 1 97  ? 21.202 5.109   -17.82  1   11.6   ? 96  TYR   A CD2   1 ? 1 
ATOM   779  C  CE1   . TYR   A 1 97  ? 21.328 3.751   -20.203 1   12.295 ? 96  TYR   A CE1   1 ? 1 
ATOM   780  C  CE2   . TYR   A 1 97  ? 22.437 4.788   -18.368 1   11.781 ? 96  TYR   A CE2   1 ? 1 
ATOM   781  C  CZ    . TYR   A 1 97  ? 22.505 4.115   -19.561 1   11.885 ? 96  TYR   A CZ    1 ? 1 
ATOM   782  O  OH    . TYR   A 1 97  ? 23.705 3.821   -20.172 1   13.19  ? 96  TYR   A OH    1 ? 1 
ATOM   783  N  N     . ARG   A 1 98  ? 16.208 7.109   -17.288 1   11.552 ? 97  ARG   A N     1 ? 1 
ATOM   784  C  CA    . ARG   A 1 98  ? 14.826 7.311   -16.914 1   12.109 ? 97  ARG   A CA    1 ? 1 
ATOM   785  C  C     . ARG   A 1 98  ? 14.026 7.992   -18.031 1   12.516 ? 97  ARG   A C     1 ? 1 
ATOM   786  O  O     . ARG   A 1 98  ? 12.899 7.583   -18.331 1   13.319 ? 97  ARG   A O     1 ? 1 
ATOM   787  C  CB    . ARG   A 1 98  ? 14.715 8.148   -15.64  1   13.967 ? 97  ARG   A CB    1 ? 1 
ATOM   788  C  CG    . ARG   A 1 98  ? 13.277 8.461   -15.259 1   16.937 ? 97  ARG   A CG    1 ? 1 
ATOM   789  C  CD    . ARG   A 1 98  ? 13.153 8.88    -13.867 1   19.043 ? 97  ARG   A CD    1 ? 1 
ATOM   790  N  NE    . ARG   A 1 98  ? 11.779 9.322   -13.627 1   21.302 ? 97  ARG   A NE    1 ? 1 
ATOM   791  C  CZ    . ARG   A 1 98  ? 10.835 8.59    -13.058 1   23.295 ? 97  ARG   A CZ    1 ? 1 
ATOM   792  N  NH1   . ARG   A 1 98  ? 10.987 7.281   -12.797 1   22.86  ? 97  ARG   A NH1   1 ? 1 
ATOM   793  N  NH2   . ARG   A 1 98  ? 9.731  9.209   -12.725 1   26.458 ? 97  ARG   A NH2   1 ? 1 
ATOM   794  N  N     . GLU   A 1 99  ? 14.627 9.011   -18.659 1   12.673 ? 98  GLU   A N     1 ? 1 
ATOM   795  C  CA    . GLU   A 1 99  ? 13.932 9.686   -19.747 1   14.042 ? 98  GLU   A CA    1 ? 1 
ATOM   796  C  C     . GLU   A 1 99  ? 13.732 8.787   -20.971 1   13.672 ? 98  GLU   A C     1 ? 1 
ATOM   797  O  O     . GLU   A 1 99  ? 12.654 8.851   -21.59  1   14.619 ? 98  GLU   A O     1 ? 1 
ATOM   798  C  CB    . GLU   A 1 99  ? 14.638 10.977  -20.159 1   15.875 ? 98  GLU   A CB    1 ? 1 
ATOM   799  C  CG    . GLU   A 1 99  ? 14.622 12.088  -19.105 1   18.937 ? 98  GLU   A CG    1 ? 1 
ATOM   800  C  CD    . GLU   A 1 99  ? 13.251 12.414  -18.541 1   22.718 ? 98  GLU   A CD    1 ? 1 
ATOM   801  O  OE1   . GLU   A 1 99  ? 12.267 12.426  -19.288 1   24.467 ? 98  GLU   A OE1   1 ? 1 
ATOM   802  O  OE2   . GLU   A 1 99  ? 13.14  12.556  -17.305 1   29.249 ? 98  GLU   A OE2   1 ? 1 
ATOM   803  N  N     . GLN   A 1 100 ? 14.701 7.941   -21.298 1   12.416 ? 99  GLN   A N     1 ? 1 
ATOM   804  C  CA    . GLN   A 1 100 ? 14.546 7.046   -22.437 1   13.051 ? 99  GLN   A CA    1 ? 1 
ATOM   805  C  C     . GLN   A 1 100 ? 13.471 5.999   -22.166 1   12.94  ? 99  GLN   A C     1 ? 1 
ATOM   806  O  O     . GLN   A 1 100 ? 12.707 5.634   -23.062 1   14.529 ? 99  GLN   A O     1 ? 1 
ATOM   807  C  CB    . GLN   A 1 100 ? 15.889 6.426   -22.845 1   12.409 ? 99  GLN   A CB    1 ? 1 
ATOM   808  C  CG    . GLN   A 1 100 ? 16.925 7.438   -23.31  1   12.895 ? 99  GLN   A CG    1 ? 1 
ATOM   809  C  CD    . GLN   A 1 100 ? 16.426 8.343   -24.387 1   14.185 ? 99  GLN   A CD    1 ? 1 
ATOM   810  O  OE1   . GLN   A 1 100 ? 15.888 7.885   -25.396 1   15.005 ? 99  GLN   A OE1   1 ? 1 
ATOM   811  N  NE2   . GLN   A 1 100 ? 16.465 9.64    -24.147 1   15.748 ? 99  GLN   A NE2   1 ? 1 
ATOM   812  N  N     . ILE   A 1 101 ? 13.412 5.515   -20.921 1   12.416 ? 100 ILE   A N     1 ? 1 
ATOM   813  C  CA    . ILE   A 1 101 ? 12.375 4.573   -20.51  1   12.918 ? 100 ILE   A CA    1 ? 1 
ATOM   814  C  C     . ILE   A 1 101 ? 10.995 5.215   -20.667 1   14.253 ? 100 ILE   A C     1 ? 1 
ATOM   815  O  O     . ILE   A 1 101 ? 10.104 4.623   -21.278 1   15.422 ? 100 ILE   A O     1 ? 1 
ATOM   816  C  CB    . ILE   A 1 101 ? 12.618 4.074   -19.073 1   12.21  ? 100 ILE   A CB    1 ? 1 
ATOM   817  C  CG1   . ILE   A 1 101 ? 13.869 3.221   -18.994 1   11.332 ? 100 ILE   A CG1   1 ? 1 
ATOM   818  C  CG2   . ILE   A 1 101 ? 11.402 3.295   -18.599 1   13.252 ? 100 ILE   A CG2   1 ? 1 
ATOM   819  C  CD1   . ILE   A 1 101 ? 14.424 3.063   -17.585 1   11.237 ? 100 ILE   A CD1   1 ? 1 
ATOM   820  N  N     . LYS   A 1 102 ? 10.809 6.426   -20.122 1   15.346 ? 101 LYS   A N     1 ? 1 
ATOM   821  C  CA    . LYS   A 1 102 ? 9.536  7.123   -20.26  1   17.075 ? 101 LYS   A CA    1 ? 1 
ATOM   822  C  C     . LYS   A 1 102 ? 9.181  7.359   -21.732 1   18.582 ? 101 LYS   A C     1 ? 1 
ATOM   823  O  O     . LYS   A 1 102 ? 8.004  7.232   -22.113 1   21.101 ? 101 LYS   A O     1 ? 1 
ATOM   824  C  CB    . LYS   A 1 102 ? 9.541  8.448   -19.495 1   18.459 ? 101 LYS   A CB    1 ? 1 
ATOM   825  C  CG    . LYS   A 1 102 ? 9.576  8.297   -17.997 1   20.423 ? 101 LYS   A CG    1 ? 1 
ATOM   826  C  CD    . LYS   A 1 102 ? 9.8    9.559   -17.194 1   24.712 ? 101 LYS   A CD    1 ? 1 
ATOM   827  C  CE    . LYS   A 1 102 ? 9.112  10.711  -17.658 1   30.102 ? 101 LYS   A CE    1 ? 1 
ATOM   828  N  NZ    . LYS   A 1 102 ? 9.154  11.706  -16.586 1   31.933 ? 101 LYS   A NZ    1 ? 1 
ATOM   829  N  N     . ARG   A 1 103 ? 10.2   7.645   -22.568 1   17.965 ? 102 ARG   A N     1 ? 1 
ATOM   830  C  CA    . ARG   A 1 103 ? 9.964  7.901   -23.993 1   19.602 ? 102 ARG   A CA    1 ? 1 
ATOM   831  C  C     . ARG   A 1 103 ? 9.404  6.643   -24.684 1   20.859 ? 102 ARG   A C     1 ? 1 
ATOM   832  O  O     . ARG   A 1 103 ? 8.348  6.701   -25.316 1   25.068 ? 102 ARG   A O     1 ? 1 
ATOM   833  C  CB    . ARG   A 1 103 ? 11.243 8.337   -24.702 1   20.046 ? 102 ARG   A CB    1 ? 1 
ATOM   834  C  CG    . ARG   A 1 103 ? 11.08  8.675   -26.178 1   21.955 ? 102 ARG   A CG    1 ? 1 
ATOM   835  C  CD    . ARG   A 1 103 ? 12.31  9.182   -26.858 1   21.672 ? 102 ARG   A CD    1 ? 1 
ATOM   836  N  NE    . ARG   A 1 103 ? 13.389 8.198   -26.847 1   19.805 ? 102 ARG   A NE    1 ? 1 
ATOM   837  C  CZ    . ARG   A 1 103 ? 13.44  7.083   -27.587 1   19.507 ? 102 ARG   A CZ    1 ? 1 
ATOM   838  N  NH1   . ARG   A 1 103 ? 12.536 6.824   -28.52  1   21.031 ? 102 ARG   A NH1   1 ? 1 
ATOM   839  N  NH2   . ARG   A 1 103 ? 14.465 6.287   -27.425 1   18.15  ? 102 ARG   A NH2   1 ? 1 
ATOM   840  N  N     . VAL   A 1 104 ? 10.068 5.482   -24.503 1   18.711 ? 103 VAL   A N     1 ? 1 
ATOM   841  C  CA    . VAL   A 1 104 ? 9.674  4.257   -25.206 1   19.696 ? 103 VAL   A CA    1 ? 1 
ATOM   842  C  C     . VAL   A 1 104 ? 8.372  3.685   -24.645 1   20.282 ? 103 VAL   A C     1 ? 1 
ATOM   843  O  O     . VAL   A 1 104 ? 7.635  3.028   -25.375 1   22.33  ? 103 VAL   A O     1 ? 1 
ATOM   844  C  CB    . VAL   A 1 104 ? 10.77  3.169   -25.281 1   19.25  ? 103 VAL   A CB    1 ? 1 
ATOM   845  C  CG1   . VAL   A 1 104 ? 11.992 3.715   -26.006 1   19.577 ? 103 VAL   A CG1   1 ? 1 
ATOM   846  C  CG2   . VAL   A 1 104 ? 11.149 2.534   -23.957 1   18.222 ? 103 VAL   A CG2   1 ? 1 
ATOM   847  N  N     . LYS   A 1 105 ? 8.121  3.851   -23.326 1   19.892 ? 104 LYS   A N     1 ? 1 
ATOM   848  C  CA    . LYS   A 1 105 ? 6.905  3.363   -22.693 1   20.866 ? 104 LYS   A CA    1 ? 1 
ATOM   849  C  C     . LYS   A 1 105 ? 5.742  4.331   -22.907 1   22.804 ? 104 LYS   A C     1 ? 1 
ATOM   850  O  O     . LYS   A 1 105 ? 4.619  3.942   -22.614 1   25.252 ? 104 LYS   A O     1 ? 1 
ATOM   851  C  CB    . LYS   A 1 105 ? 7.123  3.131   -21.193 1   19.814 ? 104 LYS   A CB    1 ? 1 
ATOM   852  C  CG    . LYS   A 1 105 ? 8.121  2.015   -20.794 1   19.616 ? 104 LYS   A CG    1 ? 1 
ATOM   853  C  CD    . LYS   A 1 105 ? 7.779  0.613   -21.234 1   19.634 ? 104 LYS   A CD    1 ? 1 
ATOM   854  C  CE    . LYS   A 1 105 ? 6.585  0.083   -20.513 1   20.43  ? 104 LYS   A CE    1 ? 1 
ATOM   855  N  NZ    . LYS   A 1 105 ? 6.201  -1.211  -21.058 1   21.619 ? 104 LYS   A NZ    1 ? 1 
ATOM   856  N  N     . ASP   A 1 106 ? 6.007  5.566   -23.373 1   23.957 ? 105 ASP   A N     1 ? 1 
ATOM   857  C  CA    . ASP   A 1 106 ? 5.018  6.596   -23.636 1   26.291 ? 105 ASP   A CA    1 ? 1 
ATOM   858  C  C     . ASP   A 1 106 ? 4.177  6.843   -22.373 1   27.143 ? 105 ASP   A C     1 ? 1 
ATOM   859  O  O     . ASP   A 1 106 ? 2.942  6.843   -22.397 1   29.399 ? 105 ASP   A O     1 ? 1 
ATOM   860  C  CB    . ASP   A 1 106 ? 4.19   6.229   -24.858 1   29.63  ? 105 ASP   A CB    1 ? 1 
ATOM   861  C  CG    . ASP   A 1 106 ? 3.305  7.343   -25.374 1   32.703 ? 105 ASP   A CG    1 ? 1 
ATOM   862  O  OD1   . ASP   A 1 106 ? 2.284  7.005   -25.992 1   36.534 ? 105 ASP   A OD1   1 ? 1 
ATOM   863  O  OD2   . ASP   A 1 106 ? 3.589  8.528   -25.087 1   34.638 ? 105 ASP   A OD2   1 ? 1 
ATOM   864  N  N     . SER   A 1 107 ? 4.875  6.999   -21.241 1   25.518 ? 106 SER   A N     1 ? 1 
ATOM   865  C  CA    . SER   A 1 107 ? 4.233  7.109   -19.953 1   26.134 ? 106 SER   A CA    1 ? 1 
ATOM   866  C  C     . SER   A 1 107 ? 5.147  7.842   -18.986 1   25.169 ? 106 SER   A C     1 ? 1 
ATOM   867  O  O     . SER   A 1 107 ? 6.365  7.654   -18.976 1   25.709 ? 106 SER   A O     1 ? 1 
ATOM   868  C  CB    . SER   A 1 107 ? 3.856  5.772   -19.376 1   26.448 ? 106 SER   A CB    1 ? 1 
ATOM   869  O  OG    . SER   A 1 107 ? 3.153  5.992   -18.165 1   29.492 ? 106 SER   A OG    1 ? 1 
ATOM   870  N  N     . GLU   A 1 108 ? 4.53   8.68    -18.172 1   26.263 ? 107 GLU   A N     1 ? 1 
ATOM   871  C  CA    . GLU   A 1 108 ? 5.171  9.32    -17.044 1   26.388 ? 107 GLU   A CA    1 ? 1 
ATOM   872  C  C     . GLU   A 1 108 ? 5.311  8.385   -15.844 1   25.473 ? 107 GLU   A C     1 ? 1 
ATOM   873  O  O     . GLU   A 1 108 ? 6.068  8.73    -14.942 1   27.737 ? 107 GLU   A O     1 ? 1 
ATOM   874  C  CB    . GLU   A 1 108 ? 4.339  10.555  -16.66  1   28.937 ? 107 GLU   A CB    1 ? 1 
ATOM   875  C  CG    . GLU   A 1 108 ? 4.291  11.66   -17.726 1   32.442 ? 107 GLU   A CG    1 ? 1 
ATOM   876  C  CD    . GLU   A 1 108 ? 5.678  12.145  -18.132 1   35.219 ? 107 GLU   A CD    1 ? 1 
ATOM   877  O  OE1   . GLU   A 1 108 ? 6.499  12.372  -17.204 1   38.404 ? 107 GLU   A OE1   1 ? 1 
ATOM   878  O  OE2   . GLU   A 1 108 ? 5.973  12.252  -19.351 1   39.18  ? 107 GLU   A OE2   1 ? 1 
ATOM   879  N  N     . ASP   A 1 109 ? 4.599  7.236   -15.821 1   24.504 ? 108 ASP   A N     1 ? 1 
ATOM   880  C  CA    . ASP   A 1 109 ? 4.522  6.348   -14.687 1   23.394 ? 108 ASP   A CA    1 ? 1 
ATOM   881  C  C     . ASP   A 1 109 ? 4.931  4.945   -15.141 1   21.633 ? 108 ASP   A C     1 ? 1 
ATOM   882  O  O     . ASP   A 1 109 ? 4.116  4.139   -15.6   1   25.069 ? 108 ASP   A O     1 ? 1 
ATOM   883  C  CB    . ASP   A 1 109 ? 3.103  6.373   -14.162 1   25.757 ? 108 ASP   A CB    1 ? 1 
ATOM   884  C  CG    . ASP   A 1 109 ? 2.891  5.539   -12.921 1   28.597 ? 108 ASP   A CG    1 ? 1 
ATOM   885  O  OD1   . ASP   A 1 109 ? 3.877  5.326   -12.182 1   29.803 ? 108 ASP   A OD1   1 ? 1 
ATOM   886  O  OD2   . ASP   A 1 109 ? 1.764  5.087   -12.735 1   32.42  ? 108 ASP   A OD2   1 ? 1 
ATOM   887  N  N     . VAL   A 1 110 ? 6.217  4.675   -15.078 1   17.268 ? 109 VAL   A N     1 ? 1 
ATOM   888  C  CA    . VAL   A 1 110 ? 6.77   3.373   -15.397 1   15.285 ? 109 VAL   A CA    1 ? 1 
ATOM   889  C  C     . VAL   A 1 110 ? 7.376  2.793   -14.129 1   13.921 ? 109 VAL   A C     1 ? 1 
ATOM   890  O  O     . VAL   A 1 110 ? 8.191  3.454   -13.473 1   15.145 ? 109 VAL   A O     1 ? 1 
ATOM   891  C  CB    . VAL   A 1 110 ? 7.84   3.481   -16.475 1   15.347 ? 109 VAL   A CB    1 ? 1 
ATOM   892  C  CG1   . VAL   A 1 110 ? 8.384  2.113   -16.834 1   15.197 ? 109 VAL   A CG1   1 ? 1 
ATOM   893  C  CG2   . VAL   A 1 110 ? 7.319  4.178   -17.713 1   17.157 ? 109 VAL   A CG2   1 ? 1 
ATOM   894  N  N     . PRO   A 1 111 ? 7.074  1.53    -13.768 1   12.67  ? 110 PRO   A N     1 ? 1 
ATOM   895  C  CA    . PRO   A 1 111 ? 7.729  0.915   -12.615 1   12.292 ? 110 PRO   A CA    1 ? 1 
ATOM   896  C  C     . PRO   A 1 111 ? 9.244  0.915   -12.735 1   11.706 ? 110 PRO   A C     1 ? 1 
ATOM   897  O  O     . PRO   A 1 111 ? 9.807  0.429   -13.693 1   11.21  ? 110 PRO   A O     1 ? 1 
ATOM   898  C  CB    . PRO   A 1 111 ? 7.144  -0.492  -12.595 1   12.458 ? 110 PRO   A CB    1 ? 1 
ATOM   899  C  CG    . PRO   A 1 111 ? 5.818  -0.323  -13.247 1   13.248 ? 110 PRO   A CG    1 ? 1 
ATOM   900  C  CD    . PRO   A 1 111 ? 6.04   0.661   -14.361 1   13.323 ? 110 PRO   A CD    1 ? 1 
ATOM   901  N  N     . MET   A 1 112 ? 9.897  1.441   -11.714 1   11.878 ? 111 MET   A N     1 ? 1 
ATOM   902  C  CA    . MET   A 1 112 ? 11.34  1.573   -11.682 1   11.464 ? 111 MET   A CA    1 ? 1 
ATOM   903  C  C     . MET   A 1 112 ? 11.815 1.533   -10.241 1   10.623 ? 111 MET   A C     1 ? 1 
ATOM   904  O  O     . MET   A 1 112 ? 11.112 1.938   -9.316  1   12.049 ? 111 MET   A O     1 ? 1 
ATOM   905  C  CB    . MET   A 1 112 ? 11.856 2.896   -12.28  1   14.715 ? 111 MET   A CB    1 ? 1 
ATOM   906  C  CG    . MET   A 1 112 ? 11.559 3.197   -13.686 1   17.036 ? 111 MET   A CG    1 ? 1 
ATOM   907  S  SD    . MET   A 1 112 ? 12.454 4.671   -14.232 1   19.385 ? 111 MET   A SD    1 ? 1 
ATOM   908  C  CE    . MET   A 1 112 ? 11.268 5.053   -15.523 1   22.005 ? 111 MET   A CE    1 ? 1 
ATOM   909  N  N     . VAL   A 1 113 ? 13.058 1.071   -10.055 1   9.511  ? 112 VAL   A N     1 ? 1 
ATOM   910  C  CA    . VAL   A 1 113 ? 13.768 1.132   -8.781  1   9.704  ? 112 VAL   A CA    1 ? 1 
ATOM   911  C  C     . VAL   A 1 113 ? 15.156 1.668   -9.037  1   9.007  ? 112 VAL   A C     1 ? 1 
ATOM   912  O  O     . VAL   A 1 113 ? 15.802 1.227   -9.981  1   10.073 ? 112 VAL   A O     1 ? 1 
ATOM   913  C  CB    . VAL   A 1 113 ? 13.806 -0.225  -8.088  1   9.918  ? 112 VAL   A CB    1 ? 1 
ATOM   914  C  CG1   . VAL   A 1 113 ? 14.683 -0.239  -6.856  1   11.119 ? 112 VAL   A CG1   1 ? 1 
ATOM   915  C  CG2   . VAL   A 1 113 ? 12.441 -0.726  -7.715  1   11.232 ? 112 VAL   A CG2   1 ? 1 
ATOM   916  N  N     . LEU   A 1 114 ? 15.604 2.602   -8.205  1   9.211  ? 113 LEU   A N     1 ? 1 
ATOM   917  C  CA    . LEU   A 1 114 ? 16.959 3.126   -8.272  1   9.558  ? 113 LEU   A CA    1 ? 1 
ATOM   918  C  C     . LEU   A 1 114 ? 17.863 2.223   -7.419  1   8.918  ? 113 LEU   A C     1 ? 1 
ATOM   919  O  O     . LEU   A 1 114 ? 17.54  1.983   -6.257  1   10.298 ? 113 LEU   A O     1 ? 1 
ATOM   920  C  CB    . LEU   A 1 114 ? 17.018 4.539   -7.727  1   10.286 ? 113 LEU   A CB    1 ? 1 
ATOM   921  C  CG    . LEU   A 1 114 ? 18.363 5.244   -7.838  1   10.43  ? 113 LEU   A CG    1 ? 1 
ATOM   922  C  CD1   . LEU   A 1 114 ? 18.844 5.43    -9.262  1   10.573 ? 113 LEU   A CD1   1 ? 1 
ATOM   923  C  CD2   . LEU   A 1 114 ? 18.336 6.579   -7.083  1   12.164 ? 113 LEU   A CD2   1 ? 1 
ATOM   924  N  N     . VAL   A 1 115 ? 18.964 1.726   -8.005  1   8.947  ? 114 VAL   A N     1 ? 1 
ATOM   925  C  CA    . VAL   A 1 115 ? 19.857 0.806   -7.33   1   8.901  ? 114 VAL   A CA    1 ? 1 
ATOM   926  C  C     . VAL   A 1 115 ? 21.249 1.416   -7.295  1   9.338  ? 114 VAL   A C     1 ? 1 
ATOM   927  O  O     . VAL   A 1 115 ? 21.829 1.715   -8.33   1   10.118 ? 114 VAL   A O     1 ? 1 
ATOM   928  C  CB    . VAL   A 1 115 ? 19.892 -0.546  -8.033  1   9.21   ? 114 VAL   A CB    1 ? 1 
ATOM   929  C  CG1   . VAL   A 1 115 ? 20.942 -1.467  -7.396  1   10.192 ? 114 VAL   A CG1   1 ? 1 
ATOM   930  C  CG2   . VAL   A 1 115 ? 18.507 -1.196  -8.041  1   10.286 ? 114 VAL   A CG2   1 ? 1 
ATOM   931  N  N     . GLY   A 1 116 ? 21.798 1.549   -6.082  1   10.285 ? 115 GLY   A N     1 ? 1 
ATOM   932  C  CA    . GLY   A 1 116 ? 23.167 1.958   -5.871  1   10.779 ? 115 GLY   A CA    1 ? 1 
ATOM   933  C  C     . GLY   A 1 116 ? 24.006 0.738   -5.532  1   10.709 ? 115 GLY   A C     1 ? 1 
ATOM   934  O  O     . GLY   A 1 116 ? 23.961 0.264   -4.404  1   11.464 ? 115 GLY   A O     1 ? 1 
ATOM   935  N  N     . ASN   A 1 117 ? 24.754 0.235   -6.52   1   10.439 ? 116 ASN   A N     1 ? 1 
ATOM   936  C  CA    . ASN   A 1 117 ? 25.503 -0.98   -6.375  1   10.522 ? 116 ASN   A CA    1 ? 1 
ATOM   937  C  C     . ASN   A 1 117 ? 26.935 -0.699  -5.924  1   11.328 ? 116 ASN   A C     1 ? 1 
ATOM   938  O  O     . ASN   A 1 117 ? 27.412 0.424   -5.925  1   12.611 ? 116 ASN   A O     1 ? 1 
ATOM   939  C  CB    . ASN   A 1 117 ? 25.444 -1.797  -7.667  1   10.207 ? 116 ASN   A CB    1 ? 1 
ATOM   940  C  CG    . ASN   A 1 117 ? 26.022 -3.184  -7.554  1   10.433 ? 116 ASN   A CG    1 ? 1 
ATOM   941  O  OD1   . ASN   A 1 117 ? 25.712 -3.909  -6.596  1   11.167 ? 116 ASN   A OD1   1 ? 1 
ATOM   942  N  ND2   . ASN   A 1 117 ? 26.878 -3.549  -8.477  1   10.929 ? 116 ASN   A ND2   1 ? 1 
ATOM   943  N  N     . LYS   A 1 118 ? 27.632 -1.769  -5.523  1   11.792 ? 117 LYS   A N     1 ? 1 
ATOM   944  C  CA    . LYS   A 1 118 ? 29.011 -1.744  -5.021  1   12.941 ? 117 LYS   A CA    1 ? 1 
ATOM   945  C  C     . LYS   A 1 118 ? 29.103 -1.154  -3.614  1   14.568 ? 117 LYS   A C     1 ? 1 
ATOM   946  O  O     . LYS   A 1 118 ? 30.121 -0.592  -3.237  1   15.658 ? 117 LYS   A O     1 ? 1 
ATOM   947  C  CB    . LYS   A 1 118 ? 30.026 -1.099  -5.961  1   13.592 ? 117 LYS   A CB    1 ? 1 
ATOM   948  C  CG    . LYS   A 1 118 ? 29.922 -1.563  -7.394  1   12.714 ? 117 LYS   A CG    1 ? 1 
ATOM   949  C  CD    . LYS   A 1 118 ? 31.139 -1.234  -8.241  1   13.941 ? 117 LYS   A CD    1 ? 1 
ATOM   950  C  CE    . LYS   A 1 118 ? 31.026 -1.66   -9.68   1   13.916 ? 117 LYS   A CE    1 ? 1 
ATOM   951  N  NZ    . LYS   A 1 118 ? 32.162 -1.285  -10.497 1   15.676 ? 117 LYS   A NZ    1 ? 1 
ATOM   952  N  N     . CYS   A 1 119 ? 28.06  -1.369  -2.78   1   14.26  ? 118 CYS   A N     1 ? 1 
ATOM   953  C  CA    A CYS   A 1 119 ? 28.019 -0.768  -1.455  0.5 15.463 ? 118 CYS   A CA    1 ? 1 
ATOM   954  C  CA    B CYS   A 1 119 ? 28.028 -0.787  -1.45   0.5 16.767 ? 118 CYS   A CA    1 ? 1 
ATOM   955  C  C     . CYS   A 1 119 ? 29.018 -1.433  -0.492  1   17.696 ? 118 CYS   A C     1 ? 1 
ATOM   956  O  O     . CYS   A 1 119 ? 29.168 -0.955  0.629   1   20.585 ? 118 CYS   A O     1 ? 1 
ATOM   957  C  CB    A CYS   A 1 119 ? 26.592 -0.749  -0.918  0.5 14.626 ? 118 CYS   A CB    1 ? 1 
ATOM   958  C  CB    B CYS   A 1 119 ? 26.631 -0.859  -0.871  0.5 18.388 ? 118 CYS   A CB    1 ? 1 
ATOM   959  S  SG    A CYS   A 1 119 ? 25.956 -2.38   -0.434  0.5 14.098 ? 118 CYS   A SG    1 ? 1 
ATOM   960  S  SG    B CYS   A 1 119 ? 25.678 0.478   -1.588  0.5 24.668 ? 118 CYS   A SG    1 ? 1 
ATOM   961  N  N     . ASP   A 1 120 ? 29.677 -2.528  -0.912  1   17     ? 119 ASP   A N     1 ? 1 
ATOM   962  C  CA    . ASP   A 1 120 ? 30.75  -3.134  -0.15   1   18.68  ? 119 ASP   A CA    1 ? 1 
ATOM   963  C  C     . ASP   A 1 120 ? 32.038 -2.305  -0.2    1   20.295 ? 119 ASP   A C     1 ? 1 
ATOM   964  O  O     . ASP   A 1 120 ? 32.932 -2.559  0.615   1   21.919 ? 119 ASP   A O     1 ? 1 
ATOM   965  C  CB    . ASP   A 1 120 ? 31.045 -4.524  -0.678  1   17.753 ? 119 ASP   A CB    1 ? 1 
ATOM   966  C  CG    . ASP   A 1 120 ? 31.421 -4.499  -2.153  1   16.84  ? 119 ASP   A CG    1 ? 1 
ATOM   967  O  OD1   . ASP   A 1 120 ? 32.62  -4.6    -2.465  1   18.41  ? 119 ASP   A OD1   1 ? 1 
ATOM   968  O  OD2   . ASP   A 1 120 ? 30.473 -4.338  -2.99   1   15.225 ? 119 ASP   A OD2   1 ? 1 
ATOM   969  N  N     . LEU   A 1 121 ? 32.191 -1.397  -1.193  1   20.195 ? 120 LEU   A N     1 ? 1 
ATOM   970  C  CA    . LEU   A 1 121 ? 33.423 -0.654  -1.386  1   22.318 ? 120 LEU   A CA    1 ? 1 
ATOM   971  C  C     . LEU   A 1 121 ? 33.56  0.479   -0.402  1   25.364 ? 120 LEU   A C     1 ? 1 
ATOM   972  O  O     . LEU   A 1 121 ? 32.607 1.197   -0.198  1   26.979 ? 120 LEU   A O     1 ? 1 
ATOM   973  C  CB    . LEU   A 1 121 ? 33.554 -0.117  -2.818  1   21.925 ? 120 LEU   A CB    1 ? 1 
ATOM   974  C  CG    . LEU   A 1 121 ? 33.723 -1.176  -3.897  1   22.381 ? 120 LEU   A CG    1 ? 1 
ATOM   975  C  CD1   . LEU   A 1 121 ? 33.777 -0.59   -5.309  1   23.55  ? 120 LEU   A CD1   1 ? 1 
ATOM   976  C  CD2   . LEU   A 1 121 ? 34.949 -2.051  -3.646  1   24.297 ? 120 LEU   A CD2   1 ? 1 
ATOM   977  N  N     . PRO   A 1 122 ? 34.791 0.772   0.084   1   28.766 ? 121 PRO   A N     1 ? 1 
ATOM   978  C  CA    . PRO   A 1 122 ? 35.039 2.018   0.829   1   31.539 ? 121 PRO   A CA    1 ? 1 
ATOM   979  C  C     . PRO   A 1 122 ? 35.087 3.332   0.04    1   31.118 ? 121 PRO   A C     1 ? 1 
ATOM   980  O  O     . PRO   A 1 122 ? 34.868 4.41    0.591   1   33.097 ? 121 PRO   A O     1 ? 1 
ATOM   981  C  CB    . PRO   A 1 122 ? 36.348 1.665   1.5     1   33.588 ? 121 PRO   A CB    1 ? 1 
ATOM   982  C  CG    . PRO   A 1 122 ? 37.112 0.793   0.512   1   32.218 ? 121 PRO   A CG    1 ? 1 
ATOM   983  C  CD    . PRO   A 1 122 ? 36.009 -0.036  -0.116  1   29.564 ? 121 PRO   A CD    1 ? 1 
ATOM   984  N  N     . SER   A 1 123 ? 35.274 3.25    -1.286  1   30.831 ? 122 SER   A N     1 ? 1 
ATOM   985  C  CA    . SER   A 1 123 ? 35.638 4.372   -2.135  1   32.227 ? 122 SER   A CA    1 ? 1 
ATOM   986  C  C     . SER   A 1 123 ? 34.363 5.104   -2.632  1   31.898 ? 122 SER   A C     1 ? 1 
ATOM   987  O  O     . SER   A 1 123 ? 34.243 5.447   -3.82   1   30.505 ? 122 SER   A O     1 ? 1 
ATOM   988  C  CB    . SER   A 1 123 ? 36.6   3.789   -3.243  1   34.072 ? 122 SER   A CB    1 ? 1 
ATOM   989  O  OG    . SER   A 1 123 ? 36.199 2.462   -3.648  1   34.084 ? 122 SER   A OG    1 ? 1 
ATOM   990  N  N     . ARG   A 1 124 ? 33.438 5.477   -1.703  1   29.911 ? 123 ARG   A N     1 ? 1 
ATOM   991  C  CA    . ARG   A 1 124 ? 32.103 5.971   -2.086  1   27.151 ? 123 ARG   A CA    1 ? 1 
ATOM   992  C  C     . ARG   A 1 124 ? 32.186 7.459   -2.438  1   26.636 ? 123 ARG   A C     1 ? 1 
ATOM   993  O  O     . ARG   A 1 124 ? 32.708 8.249   -1.658  1   31.174 ? 123 ARG   A O     1 ? 1 
ATOM   994  C  CB    . ARG   A 1 124 ? 31.117 5.825   -0.912  1   29.612 ? 123 ARG   A CB    1 ? 1 
ATOM   995  C  CG    . ARG   A 1 124 ? 29.805 6.591   -0.919  1   30.997 ? 123 ARG   A CG    1 ? 1 
ATOM   996  C  CD    . ARG   A 1 124 ? 29.129 6.493   0.396   1   32.972 ? 123 ARG   A CD    1 ? 1 
ATOM   997  N  NE    . ARG   A 1 124 ? 28.528 5.187   0.624   1   33.283 ? 123 ARG   A NE    1 ? 1 
ATOM   998  C  CZ    . ARG   A 1 124 ? 27.34  4.759   0.155   1   31.965 ? 123 ARG   A CZ    1 ? 1 
ATOM   999  N  NH1   . ARG   A 1 124 ? 26.664 5.406   -0.767  1   30.149 ? 123 ARG   A NH1   1 ? 1 
ATOM   1000 N  NH2   . ARG   A 1 124 ? 26.823 3.667   0.658   1   31.978 ? 123 ARG   A NH2   1 ? 1 
ATOM   1001 N  N     . THR   A 1 125 ? 31.644 7.846   -3.592  1   23.353 ? 124 THR   A N     1 ? 1 
ATOM   1002 C  CA    . THR   A 1 125 ? 31.521 9.237   -4.023  1   23.841 ? 124 THR   A CA    1 ? 1 
ATOM   1003 C  C     . THR   A 1 125 ? 30.069 9.68    -4.06   1   22.697 ? 124 THR   A C     1 ? 1 
ATOM   1004 O  O     . THR   A 1 125 ? 29.844 10.866  -4.078  1   25.271 ? 124 THR   A O     1 ? 1 
ATOM   1005 C  CB    . THR   A 1 125 ? 32.211 9.385   -5.374  1   24.874 ? 124 THR   A CB    1 ? 1 
ATOM   1006 O  OG1   . THR   A 1 125 ? 31.589 8.531   -6.328  1   24.907 ? 124 THR   A OG1   1 ? 1 
ATOM   1007 C  CG2   . THR   A 1 125 ? 33.697 9.068   -5.265  1   27.269 ? 124 THR   A CG2   1 ? 1 
ATOM   1008 N  N     . VAL   A 1 126 ? 29.092 8.761   -4.108  1   20.252 ? 125 VAL   A N     1 ? 1 
ATOM   1009 C  CA    . VAL   A 1 126 ? 27.674 9.127   -4.122  1   19.585 ? 125 VAL   A CA    1 ? 1 
ATOM   1010 C  C     . VAL   A 1 126 ? 27.081 8.755   -2.769  1   20.478 ? 125 VAL   A C     1 ? 1 
ATOM   1011 O  O     . VAL   A 1 126 ? 27.035 7.568   -2.434  1   20.435 ? 125 VAL   A O     1 ? 1 
ATOM   1012 C  CB    . VAL   A 1 126 ? 26.913 8.437   -5.254  1   18.696 ? 125 VAL   A CB    1 ? 1 
ATOM   1013 C  CG1   . VAL   A 1 126 ? 25.472 8.942   -5.28   1   18.311 ? 125 VAL   A CG1   1 ? 1 
ATOM   1014 C  CG2   . VAL   A 1 126 ? 27.622 8.643   -6.585  1   18.664 ? 125 VAL   A CG2   1 ? 1 
ATOM   1015 N  N     . ASP   A 1 127 ? 26.685 9.764   -1.975  1   22.443 ? 126 ASP   A N     1 ? 1 
ATOM   1016 C  CA    . ASP   A 1 127 ? 26.171 9.468   -0.649  1   24.677 ? 126 ASP   A CA    1 ? 1 
ATOM   1017 C  C     . ASP   A 1 127 ? 24.739 8.952   -0.756  1   23.469 ? 126 ASP   A C     1 ? 1 
ATOM   1018 O  O     . ASP   A 1 127 ? 23.99  9.232   -1.719  1   22.203 ? 126 ASP   A O     1 ? 1 
ATOM   1019 C  CB    . ASP   A 1 127 ? 26.397 10.59   0.335   1   29.801 ? 126 ASP   A CB    1 ? 1 
ATOM   1020 C  CG    . ASP   A 1 127 ? 25.666 11.824  -0.102  1   34.247 ? 126 ASP   A CG    1 ? 1 
ATOM   1021 O  OD1   . ASP   A 1 127 ? 24.426 11.841  0.03    1   35.942 ? 126 ASP   A OD1   1 ? 1 
ATOM   1022 O  OD2   . ASP   A 1 127 ? 26.378 12.689  -0.648  1   42.662 ? 126 ASP   A OD2   1 ? 1 
ATOM   1023 N  N     . THR   A 1 128 ? 24.355 8.242   0.306   1   24.802 ? 127 THR   A N     1 ? 1 
ATOM   1024 C  CA    . THR   A 1 128 ? 23.043 7.633   0.42    1   23.796 ? 127 THR   A CA    1 ? 1 
ATOM   1025 C  C     . THR   A 1 128 ? 21.963 8.714   0.296   1   22.891 ? 127 THR   A C     1 ? 1 
ATOM   1026 O  O     . THR   A 1 128 ? 21     8.519   -0.445  1   21.979 ? 127 THR   A O     1 ? 1 
ATOM   1027 C  CB    . THR   A 1 128 ? 22.947 6.837   1.724   1   27.478 ? 127 THR   A CB    1 ? 1 
ATOM   1028 O  OG1   . THR   A 1 128 ? 23.939 5.821   1.543   1   28.927 ? 127 THR   A OG1   1 ? 1 
ATOM   1029 C  CG2   . THR   A 1 128 ? 21.593 6.184   1.915   1   28.038 ? 127 THR   A CG2   1 ? 1 
ATOM   1030 N  N     . LYS   A 1 129 ? 22.153 9.875   0.936   1   24.09  ? 128 LYS   A N     1 ? 1 
ATOM   1031 C  CA    . LYS   A 1 129 ? 21.188 10.969  0.834   1   24.821 ? 128 LYS   A CA    1 ? 1 
ATOM   1032 C  C     . LYS   A 1 129 ? 20.978 11.502  -0.589  1   22.585 ? 128 LYS   A C     1 ? 1 
ATOM   1033 O  O     . LYS   A 1 129 ? 19.828 11.774  -0.959  1   22.184 ? 128 LYS   A O     1 ? 1 
ATOM   1034 C  CB    . LYS   A 1 129 ? 21.554 12.133  1.757   1   28.445 ? 128 LYS   A CB    1 ? 1 
ATOM   1035 C  CG    . LYS   A 1 129 ? 20.45  13.178  1.968   1   31.433 ? 128 LYS   A CG    1 ? 1 
ATOM   1036 C  CD    . LYS   A 1 129 ? 20.908 14.557  2.45    1   36.112 ? 128 LYS   A CD    1 ? 1 
ATOM   1037 C  CE    . LYS   A 1 129 ? 19.81  15.497  2.82    1   40.03  ? 128 LYS   A CE    1 ? 1 
ATOM   1038 N  NZ    . LYS   A 1 129 ? 18.65  15.527  1.928   1   40.329 ? 128 LYS   A NZ    1 ? 1 
ATOM   1039 N  N     . GLN   A 1 130 ? 22.045 11.703  -1.379  1   22.318 ? 129 GLN   A N     1 ? 1 
ATOM   1040 C  CA    . GLN   A 1 130 ? 21.924 12.174  -2.757  1   22.157 ? 129 GLN   A CA    1 ? 1 
ATOM   1041 C  C     . GLN   A 1 130 ? 21.014 11.218  -3.549  1   19.404 ? 129 GLN   A C     1 ? 1 
ATOM   1042 O  O     . GLN   A 1 130 ? 20.171 11.644  -4.33   1   19.119 ? 129 GLN   A O     1 ? 1 
ATOM   1043 C  CB    . GLN   A 1 130 ? 23.263 12.195  -3.504  1   24.278 ? 129 GLN   A CB    1 ? 1 
ATOM   1044 C  CG    . GLN   A 1 130 ? 24.275 13.25   -3.118  1   28.536 ? 129 GLN   A CG    1 ? 1 
ATOM   1045 C  CD    . GLN   A 1 130 ? 25.591 12.912  -3.792  1   29.772 ? 129 GLN   A CD    1 ? 1 
ATOM   1046 O  OE1   . GLN   A 1 130 ? 26.469 12.269  -3.222  1   29.515 ? 129 GLN   A OE1   1 ? 1 
ATOM   1047 N  NE2   . GLN   A 1 130 ? 25.673 13.203  -5.078  1   31.309 ? 129 GLN   A NE2   1 ? 1 
ATOM   1048 N  N     . ALA   A 1 131 ? 21.211 9.906   -3.356  1   18.205 ? 130 ALA   A N     1 ? 1 
ATOM   1049 C  CA    . ALA   A 1 131 ? 20.439 8.908   -4.08   1   16.652 ? 130 ALA   A CA    1 ? 1 
ATOM   1050 C  C     . ALA   A 1 131 ? 18.993 8.856   -3.6    1   16.055 ? 130 ALA   A C     1 ? 1 
ATOM   1051 O  O     . ALA   A 1 131 ? 18.075 8.78    -4.406  1   15.603 ? 130 ALA   A O     1 ? 1 
ATOM   1052 C  CB    . ALA   A 1 131 ? 21.114 7.564   -3.996  1   17.563 ? 130 ALA   A CB    1 ? 1 
ATOM   1053 N  N     . GLN   A 1 132 ? 18.807 8.929   -2.273  1   17.142 ? 131 GLN   A N     1 ? 1 
ATOM   1054 C  CA    . GLN   A 1 132 ? 17.458 8.976   -1.727  1   17.577 ? 131 GLN   A CA    1 ? 1 
ATOM   1055 C  C     . GLN   A 1 132 ? 16.705 10.198  -2.255  1   17.608 ? 131 GLN   A C     1 ? 1 
ATOM   1056 O  O     . GLN   A 1 132 ? 15.518 10.087  -2.573  1   18.081 ? 131 GLN   A O     1 ? 1 
ATOM   1057 C  CB    . GLN   A 1 132 ? 17.477 9.015   -0.196  1   20.261 ? 131 GLN   A CB    1 ? 1 
ATOM   1058 C  CG    . GLN   A 1 132 ? 17.933 7.704   0.419   1   22.082 ? 131 GLN   A CG    1 ? 1 
ATOM   1059 C  CD    . GLN   A 1 132 ? 18.126 7.732   1.918   1   26.506 ? 131 GLN   A CD    1 ? 1 
ATOM   1060 O  OE1   . GLN   A 1 132 ? 18.534 8.729   2.501   1   30.312 ? 131 GLN   A OE1   1 ? 1 
ATOM   1061 N  NE2   . GLN   A 1 132 ? 17.876 6.603   2.545   1   29.265 ? 131 GLN   A NE2   1 ? 1 
ATOM   1062 N  N     . ASP   A 1 133 ? 17.375 11.364  -2.359  1   18.659 ? 132 ASP   A N     1 ? 1 
ATOM   1063 C  CA    . ASP   A 1 133 ? 16.754 12.577  -2.866  1   20.114 ? 132 ASP   A CA    1 ? 1 
ATOM   1064 C  C     . ASP   A 1 133 ? 16.359 12.415  -4.328  1   18.504 ? 132 ASP   A C     1 ? 1 
ATOM   1065 O  O     . ASP   A 1 133 ? 15.257 12.81   -4.714  1   19.058 ? 132 ASP   A O     1 ? 1 
ATOM   1066 C  CB    . ASP   A 1 133 ? 17.65  13.792  -2.661  1   22.196 ? 132 ASP   A CB    1 ? 1 
ATOM   1067 C  CG    . ASP   A 1 133 ? 17.81  14.251  -1.208  1   25.347 ? 132 ASP   A CG    1 ? 1 
ATOM   1068 O  OD1   . ASP   A 1 133 ? 17.027 13.806  -0.338  1   27.311 ? 132 ASP   A OD1   1 ? 1 
ATOM   1069 O  OD2   . ASP   A 1 133 ? 18.712 15.064  -0.943  1   27.875 ? 132 ASP   A OD2   1 ? 1 
ATOM   1070 N  N     . LEU   A 1 134 ? 17.234 11.81   -5.138  1   17.17  ? 133 LEU   A N     1 ? 1 
ATOM   1071 C  CA    . LEU   A 1 134 ? 16.902 11.59   -6.545  1   16.401 ? 133 LEU   A CA    1 ? 1 
ATOM   1072 C  C     . LEU   A 1 134 ? 15.679 10.667  -6.658  1   15.447 ? 133 LEU   A C     1 ? 1 
ATOM   1073 O  O     . LEU   A 1 134 ? 14.756 10.939  -7.423  1   16.225 ? 133 LEU   A O     1 ? 1 
ATOM   1074 C  CB    . LEU   A 1 134 ? 18.108 11.072  -7.32   1   16.786 ? 133 LEU   A CB    1 ? 1 
ATOM   1075 C  CG    . LEU   A 1 134 ? 17.902 10.931  -8.814  1   17.145 ? 133 LEU   A CG    1 ? 1 
ATOM   1076 C  CD1   . LEU   A 1 134 ? 17.796 12.269  -9.484  1   19.974 ? 133 LEU   A CD1   1 ? 1 
ATOM   1077 C  CD2   . LEU   A 1 134 ? 19.016 10.121  -9.409  1   15.95  ? 133 LEU   A CD2   1 ? 1 
ATOM   1078 N  N     . ALA   A 1 135 ? 15.711 9.548   -5.933  1   14.46  ? 134 ALA   A N     1 ? 1 
ATOM   1079 C  CA    . ALA   A 1 135 ? 14.597 8.604   -5.979  1   13.849 ? 134 ALA   A CA    1 ? 1 
ATOM   1080 C  C     . ALA   A 1 135 ? 13.295 9.276   -5.547  1   14.838 ? 134 ALA   A C     1 ? 1 
ATOM   1081 O  O     . ALA   A 1 135 ? 12.239 9.043   -6.151  1   15.118 ? 134 ALA   A O     1 ? 1 
ATOM   1082 C  CB    . ALA   A 1 135 ? 14.874 7.385   -5.147  1   13.385 ? 134 ALA   A CB    1 ? 1 
ATOM   1083 N  N     . ARG   A 1 136 ? 13.343 10.111  -4.5    1   16.454 ? 135 ARG   A N     1 ? 1 
ATOM   1084 C  CA    . ARG   A 1 136 ? 12.153 10.829  -4.057  1   18.227 ? 135 ARG   A CA    1 ? 1 
ATOM   1085 C  C     . ARG   A 1 136 ? 11.639 11.732  -5.165  1   19.11  ? 135 ARG   A C     1 ? 1 
ATOM   1086 O  O     . ARG   A 1 136 ? 10.431 11.778  -5.38   1   20.334 ? 135 ARG   A O     1 ? 1 
ATOM   1087 C  CB    . ARG   A 1 136 ? 12.476 11.593  -2.779  1   21.043 ? 135 ARG   A CB    1 ? 1 
ATOM   1088 C  CG    . ARG   A 1 136 ? 11.245 12.2    -2.143  1   24.261 ? 135 ARG   A CG    1 ? 1 
ATOM   1089 C  CD    . ARG   A 1 136 ? 11.541 12.828  -0.823  1   26.88  ? 135 ARG   A CD    1 ? 1 
ATOM   1090 N  NE    . ARG   A 1 136 ? 12.697 12.32   -0.059  1   32.165 ? 135 ARG   A NE    1 ? 1 
ATOM   1091 C  CZ    . ARG   A 1 136 ? 13.921 12.885  0.054   1   35.791 ? 135 ARG   A CZ    1 ? 1 
ATOM   1092 N  NH1   . ARG   A 1 136 ? 14.963 12.173  0.509   1   37.349 ? 135 ARG   A NH1   1 ? 1 
ATOM   1093 N  NH2   . ARG   A 1 136 ? 14.107 14.154  -0.328  1   40.613 ? 135 ARG   A NH2   1 ? 1 
ATOM   1094 N  N     . SER   A 1 137 ? 12.537 12.405  -5.887  1   18.883 ? 136 SER   A N     1 ? 1 
ATOM   1095 C  CA    . SER   A 1 137 ? 12.126 13.297  -6.975  1   20.47  ? 136 SER   A CA    1 ? 1 
ATOM   1096 C  C     . SER   A 1 137 ? 11.407 12.546  -8.102  1   19.631 ? 136 SER   A C     1 ? 1 
ATOM   1097 O  O     . SER   A 1 137 ? 10.552 13.077  -8.781  1   22.778 ? 136 SER   A O     1 ? 1 
ATOM   1098 C  CB    . SER   A 1 137 ? 13.32  14.091  -7.503  1   21.043 ? 136 SER   A CB    1 ? 1 
ATOM   1099 O  OG    . SER   A 1 137 ? 14.138 13.362  -8.411  1   20.786 ? 136 SER   A OG    1 ? 1 
ATOM   1100 N  N     . TYR   A 1 138 ? 11.715 11.261  -8.272  1   18.049 ? 137 TYR   A N     1 ? 1 
ATOM   1101 C  CA    . TYR   A 1 138 ? 11.112 10.387  -9.271  1   17.851 ? 137 TYR   A CA    1 ? 1 
ATOM   1102 C  C     . TYR   A 1 138 ? 9.926  9.606   -8.729  1   17.816 ? 137 TYR   A C     1 ? 1 
ATOM   1103 O  O     . TYR   A 1 138 ? 9.241  8.952   -9.516  1   19.856 ? 137 TYR   A O     1 ? 1 
ATOM   1104 C  CB    . TYR   A 1 138 ? 12.169 9.398   -9.768  1   17.127 ? 137 TYR   A CB    1 ? 1 
ATOM   1105 C  CG    . TYR   A 1 138 ? 13.367 9.959   -10.521 1   17.755 ? 137 TYR   A CG    1 ? 1 
ATOM   1106 C  CD1   . TYR   A 1 138 ? 13.368 11.222  -11.141 1   19.839 ? 137 TYR   A CD1   1 ? 1 
ATOM   1107 C  CD2   . TYR   A 1 138 ? 14.497 9.173   -10.68  1   18.952 ? 137 TYR   A CD2   1 ? 1 
ATOM   1108 C  CE1   . TYR   A 1 138 ? 14.466 11.654  -11.883 1   20.499 ? 137 TYR   A CE1   1 ? 1 
ATOM   1109 C  CE2   . TYR   A 1 138 ? 15.595 9.608   -11.396 1   19.96  ? 137 TYR   A CE2   1 ? 1 
ATOM   1110 C  CZ    . TYR   A 1 138 ? 15.585 10.84   -12.012 1   20.982 ? 137 TYR   A CZ    1 ? 1 
ATOM   1111 O  OH    . TYR   A 1 138 ? 16.7   11.219  -12.712 1   24.279 ? 137 TYR   A OH    1 ? 1 
ATOM   1112 N  N     . GLY   A 1 139 ? 9.707  9.62    -7.411  1   17.601 ? 138 GLY   A N     1 ? 1 
ATOM   1113 C  CA    . GLY   A 1 139 ? 8.624  8.841   -6.825  1   17.661 ? 138 GLY   A CA    1 ? 1 
ATOM   1114 C  C     . GLY   A 1 139 ? 8.878  7.328   -6.866  1   16.472 ? 138 GLY   A C     1 ? 1 
ATOM   1115 O  O     . GLY   A 1 139 ? 7.925  6.558   -6.989  1   18.381 ? 138 GLY   A O     1 ? 1 
ATOM   1116 N  N     . ILE   A 1 140 ? 10.146 6.916   -6.737  1   14.766 ? 139 ILE   A N     1 ? 1 
ATOM   1117 C  CA    . ILE   A 1 140 ? 10.523 5.517   -6.841  1   14.205 ? 139 ILE   A CA    1 ? 1 
ATOM   1118 C  C     . ILE   A 1 140 ? 11.329 5.069   -5.638  1   13.426 ? 139 ILE   A C     1 ? 1 
ATOM   1119 O  O     . ILE   A 1 140 ? 11.981 5.91    -5      1   14.372 ? 139 ILE   A O     1 ? 1 
ATOM   1120 C  CB    . ILE   A 1 140 ? 11.245 5.193   -8.149  1   14.041 ? 139 ILE   A CB    1 ? 1 
ATOM   1121 C  CG1   . ILE   A 1 140 ? 12.642 5.773   -8.181  1   13.878 ? 139 ILE   A CG1   1 ? 1 
ATOM   1122 C  CG2   . ILE   A 1 140 ? 10.413 5.612   -9.339  1   14.656 ? 139 ILE   A CG2   1 ? 1 
ATOM   1123 C  CD1   . ILE   A 1 140 ? 13.404 5.487   -9.452  1   13.67  ? 139 ILE   A CD1   1 ? 1 
ATOM   1124 N  N     . PRO   A 1 141 ? 11.396 3.762   -5.339  1   13.27  ? 140 PRO   A N     1 ? 1 
ATOM   1125 C  CA    . PRO   A 1 141 ? 12.274 3.285   -4.284  1   13.227 ? 140 PRO   A CA    1 ? 1 
ATOM   1126 C  C     . PRO   A 1 141 ? 13.759 3.371   -4.65   1   12.375 ? 140 PRO   A C     1 ? 1 
ATOM   1127 O  O     . PRO   A 1 141 ? 14.115 3.311   -5.818  1   12.045 ? 140 PRO   A O     1 ? 1 
ATOM   1128 C  CB    . PRO   A 1 141 ? 11.868 1.82    -4.087  1   13.909 ? 140 PRO   A CB    1 ? 1 
ATOM   1129 C  CG    . PRO   A 1 141 ? 10.506 1.729   -4.681  1   15.124 ? 140 PRO   A CG    1 ? 1 
ATOM   1130 C  CD    . PRO   A 1 141 ? 10.571 2.675   -5.87   1   14.156 ? 140 PRO   A CD    1 ? 1 
ATOM   1131 N  N     . PHE   A 1 142 ? 14.602 3.48    -3.621  1   12.87  ? 141 PHE   A N     1 ? 1 
ATOM   1132 C  CA    . PHE   A 1 142 ? 16.037 3.395   -3.7    1   12.708 ? 141 PHE   A CA    1 ? 1 
ATOM   1133 C  C     . PHE   A 1 142 ? 16.509 2.232   -2.828  1   12.978 ? 141 PHE   A C     1 ? 1 
ATOM   1134 O  O     . PHE   A 1 142 ? 16.117 2.122   -1.667  1   15.28  ? 141 PHE   A O     1 ? 1 
ATOM   1135 C  CB    . PHE   A 1 142 ? 16.705 4.67    -3.19   1   14.088 ? 141 PHE   A CB    1 ? 1 
ATOM   1136 C  CG    . PHE   A 1 142 ? 18.215 4.551   -3.066  1   14.443 ? 141 PHE   A CG    1 ? 1 
ATOM   1137 C  CD1   . PHE   A 1 142 ? 19.021 4.212   -4.148  1   13.408 ? 141 PHE   A CD1   1 ? 1 
ATOM   1138 C  CD2   . PHE   A 1 142 ? 18.847 4.769   -1.849  1   17.163 ? 141 PHE   A CD2   1 ? 1 
ATOM   1139 C  CE1   . PHE   A 1 142 ? 20.391 4.1     -4.018  1   14.515 ? 141 PHE   A CE1   1 ? 1 
ATOM   1140 C  CE2   . PHE   A 1 142 ? 20.219 4.627   -1.728  1   17.882 ? 141 PHE   A CE2   1 ? 1 
ATOM   1141 C  CZ    . PHE   A 1 142 ? 20.993 4.323   -2.835  1   16.469 ? 141 PHE   A CZ    1 ? 1 
ATOM   1142 N  N     . ILE   A 1 143 ? 17.374 1.392   -3.376  1   12.151 ? 142 ILE   A N     1 ? 1 
ATOM   1143 C  CA    . ILE   A 1 143 ? 17.955 0.251   -2.669  1   13.258 ? 142 ILE   A CA    1 ? 1 
ATOM   1144 C  C     . ILE   A 1 143 ? 19.462 0.23    -2.942  1   12.781 ? 142 ILE   A C     1 ? 1 
ATOM   1145 O  O     . ILE   A 1 143 ? 19.887 0.313   -4.096  1   12.648 ? 142 ILE   A O     1 ? 1 
ATOM   1146 C  CB    . ILE   A 1 143 ? 17.298 -1.071  -3.146  1   15.678 ? 142 ILE   A CB    1 ? 1 
ATOM   1147 C  CG1   . ILE   A 1 143 ? 15.749 -1.106  -3.048  1   21.103 ? 142 ILE   A CG1   1 ? 1 
ATOM   1148 C  CG2   . ILE   A 1 143 ? 17.921 -2.314  -2.492  1   17.27  ? 142 ILE   A CG2   1 ? 1 
ATOM   1149 C  CD1   . ILE   A 1 143 ? 15.203 -1.285  -1.664  1   24.762 ? 142 ILE   A CD1   1 ? 1 
ATOM   1150 N  N     . GLU   A 1 144 ? 20.272 0.07    -1.897  1   14.039 ? 143 GLU   A N     1 ? 1 
ATOM   1151 C  CA    . GLU   A 1 144 ? 21.693 -0.162  -2.004  1   14.926 ? 143 GLU   A CA    1 ? 1 
ATOM   1152 C  C     . GLU   A 1 144 ? 21.966 -1.655  -2.082  1   13.423 ? 143 GLU   A C     1 ? 1 
ATOM   1153 O  O     . GLU   A 1 144 ? 21.358 -2.459  -1.398  1   15.174 ? 143 GLU   A O     1 ? 1 
ATOM   1154 C  CB    . GLU   A 1 144 ? 22.43  0.49    -0.824  1   19.066 ? 143 GLU   A CB    1 ? 1 
ATOM   1155 C  CG    . GLU   A 1 144 ? 22.629 2.008   -1.025  1   23.766 ? 143 GLU   A CG    1 ? 1 
ATOM   1156 C  CD    . GLU   A 1 144 ? 23.706 2.842   -0.314  1   30.385 ? 143 GLU   A CD    1 ? 1 
ATOM   1157 O  OE1   . GLU   A 1 144 ? 24.493 2.207   0.425   1   32.969 ? 143 GLU   A OE1   1 ? 1 
ATOM   1158 O  OE2   . GLU   A 1 144 ? 23.811 4.09    -0.571  1   34.665 ? 143 GLU   A OE2   1 ? 1 
ATOM   1159 N  N     . THR   A 1 145 ? 22.89  -2.035  -2.959  1   11.751 ? 144 THR   A N     1 ? 1 
ATOM   1160 C  CA    . THR   A 1 145 ? 23.215 -3.427  -3.203  1   11.633 ? 144 THR   A CA    1 ? 1 
ATOM   1161 C  C     . THR   A 1 145 ? 24.716 -3.618  -3.261  1   12.01  ? 144 THR   A C     1 ? 1 
ATOM   1162 O  O     . THR   A 1 145 ? 25.483 -2.687  -3.519  1   12.65  ? 144 THR   A O     1 ? 1 
ATOM   1163 C  CB    . THR   A 1 145 ? 22.61  -3.95   -4.507  1   10.946 ? 144 THR   A CB    1 ? 1 
ATOM   1164 O  OG1   . THR   A 1 145 ? 23.173 -3.249  -5.619  1   11.069 ? 144 THR   A OG1   1 ? 1 
ATOM   1165 C  CG2   . THR   A 1 145 ? 21.108 -3.813  -4.552  1   11.053 ? 144 THR   A CG2   1 ? 1 
ATOM   1166 N  N     . SER   A 1 146 ? 25.125 -4.868  -3.038  1   12.339 ? 145 SER   A N     1 ? 1 
ATOM   1167 C  CA    . SER   A 1 146 ? 26.426 -5.359  -3.418  1   12.558 ? 145 SER   A CA    1 ? 1 
ATOM   1168 C  C     . SER   A 1 146 ? 26.211 -6.671  -4.142  1   12.029 ? 145 SER   A C     1 ? 1 
ATOM   1169 O  O     . SER   A 1 146 ? 25.851 -7.656  -3.508  1   12.844 ? 145 SER   A O     1 ? 1 
ATOM   1170 C  CB    . SER   A 1 146 ? 27.316 -5.586  -2.248  1   13.835 ? 145 SER   A CB    1 ? 1 
ATOM   1171 O  OG    . SER   A 1 146 ? 28.533 -6.221  -2.634  1   14.088 ? 145 SER   A OG    1 ? 1 
ATOM   1172 N  N     . ALA   A 1 147 ? 26.536 -6.724  -5.427  1   12.768 ? 146 ALA   A N     1 ? 1 
ATOM   1173 C  CA    . ALA   A 1 147 ? 26.575 -7.991  -6.133  1   13.143 ? 146 ALA   A CA    1 ? 1 
ATOM   1174 C  C     . ALA   A 1 147 ? 27.666 -8.898  -5.575  1   14.137 ? 146 ALA   A C     1 ? 1 
ATOM   1175 O  O     . ALA   A 1 147 ? 27.554 -10.118 -5.671  1   15.886 ? 146 ALA   A O     1 ? 1 
ATOM   1176 C  CB    . ALA   A 1 147 ? 26.735 -7.774  -7.621  1   13.681 ? 146 ALA   A CB    1 ? 1 
ATOM   1177 N  N     . LYS   A 1 148 ? 28.734 -8.313  -4.991  1   14.079 ? 147 LYS   A N     1 ? 1 
ATOM   1178 C  CA    . LYS   A 1 148 ? 29.848 -9.066  -4.422  1   15.081 ? 147 LYS   A CA    1 ? 1 
ATOM   1179 C  C     . LYS   A 1 148 ? 29.387 -9.909  -3.24   1   15.609 ? 147 LYS   A C     1 ? 1 
ATOM   1180 O  O     . LYS   A 1 148 ? 29.671 -11.092 -3.172  1   17.117 ? 147 LYS   A O     1 ? 1 
ATOM   1181 C  CB    . LYS   A 1 148 ? 31.047 -8.161  -4.088  1   16.86  ? 147 LYS   A CB    1 ? 1 
ATOM   1182 C  CG    . LYS   A 1 148 ? 32.248 -8.878  -3.5    1   19.811 ? 147 LYS   A CG    1 ? 1 
ATOM   1183 C  CD    . LYS   A 1 148 ? 33.484 -7.984  -3.394  1   22.55  ? 147 LYS   A CD    1 ? 1 
ATOM   1184 C  CE    . LYS   A 1 148 ? 34.645 -8.678  -2.757  1   26.587 ? 147 LYS   A CE    1 ? 1 
ATOM   1185 N  NZ    . LYS   A 1 148 ? 35.793 -7.803  -2.501  1   30.555 ? 147 LYS   A NZ    1 ? 1 
ATOM   1186 N  N     . THR   A 1 149 ? 28.701 -9.292  -2.276  1   14.668 ? 148 THR   A N     1 ? 1 
ATOM   1187 C  CA    . THR   A 1 149 ? 28.294 -9.976  -1.057  1   15.455 ? 148 THR   A CA    1 ? 1 
ATOM   1188 C  C     . THR   A 1 149 ? 26.866 -10.5   -1.097  1   14.949 ? 148 THR   A C     1 ? 1 
ATOM   1189 O  O     . THR   A 1 149 ? 26.478 -11.229 -0.195  1   15.713 ? 148 THR   A O     1 ? 1 
ATOM   1190 C  CB    . THR   A 1 149 ? 28.448 -9.041  0.142   1   16.108 ? 148 THR   A CB    1 ? 1 
ATOM   1191 O  OG1   . THR   A 1 149 ? 27.436 -8.041  -0.017  1   14.904 ? 148 THR   A OG1   1 ? 1 
ATOM   1192 C  CG2   . THR   A 1 149 ? 29.817 -8.415  0.291   1   17.042 ? 148 THR   A CG2   1 ? 1 
ATOM   1193 N  N     . ARG   A 1 150 ? 26.092 -10.107 -2.12   1   13.628 ? 149 ARG   A N     1 ? 1 
ATOM   1194 C  CA    . ARG   A 1 150 ? 24.667 -10.351 -2.298  1   13.193 ? 149 ARG   A CA    1 ? 1 
ATOM   1195 C  C     . ARG   A 1 150 ? 23.787 -9.44   -1.447  1   12.74  ? 149 ARG   A C     1 ? 1 
ATOM   1196 O  O     . ARG   A 1 150 ? 22.556 -9.569  -1.523  1   13.317 ? 149 ARG   A O     1 ? 1 
ATOM   1197 C  CB    . ARG   A 1 150 ? 24.26  -11.82  -2.16   1   14.366 ? 149 ARG   A CB    1 ? 1 
ATOM   1198 C  CG    . ARG   A 1 150 ? 23.114 -12.224 -3.066  1   15.411 ? 149 ARG   A CG    1 ? 1 
ATOM   1199 C  CD    . ARG   A 1 150 ? 22.921 -13.731 -3.196  1   18.785 ? 149 ARG   A CD    1 ? 1 
ATOM   1200 N  NE    . ARG   A 1 150 ? 22.04  -14.115 -4.335  1   21.263 ? 149 ARG   A NE    1 ? 1 
ATOM   1201 C  CZ    . ARG   A 1 150 ? 20.76  -14.059 -4.119  1   19.649 ? 149 ARG   A CZ    1 ? 1 
ATOM   1202 N  NH1   . ARG   A 1 150 ? 19.853 -14.212 -5.053  1   20.409 ? 149 ARG   A NH1   1 ? 1 
ATOM   1203 N  NH2   . ARG   A 1 150 ? 20.306 -13.666 -2.956  1   22.737 ? 149 ARG   A NH2   1 ? 1 
ATOM   1204 N  N     . GLN   A 1 151 ? 24.353 -8.457  -0.715  1   12.735 ? 150 GLN   A N     1 ? 1 
ATOM   1205 C  CA    . GLN   A 1 151 ? 23.511 -7.538  0.041   1   13.098 ? 150 GLN   A CA    1 ? 1 
ATOM   1206 C  C     . GLN   A 1 151 ? 22.511 -6.853  -0.896  1   12.411 ? 150 GLN   A C     1 ? 1 
ATOM   1207 O  O     . GLN   A 1 151 ? 22.874 -6.278  -1.911  1   12.126 ? 150 GLN   A O     1 ? 1 
ATOM   1208 C  CB    . GLN   A 1 151 ? 24.414 -6.481  0.641   1   14.624 ? 150 GLN   A CB    1 ? 1 
ATOM   1209 C  CG    . GLN   A 1 151 ? 23.669 -5.439  1.468   1   17.321 ? 150 GLN   A CG    1 ? 1 
ATOM   1210 C  CD    . GLN   A 1 151 ? 24.547 -4.445  2.187   1   21.834 ? 150 GLN   A CD    1 ? 1 
ATOM   1211 O  OE1   . GLN   A 1 151 ? 25.755 -4.595  2.312   1   24.883 ? 150 GLN   A OE1   1 ? 1 
ATOM   1212 N  NE2   . GLN   A 1 151 ? 23.924 -3.389  2.672   1   25.821 ? 150 GLN   A NE2   1 ? 1 
ATOM   1213 N  N     . GLY   A 1 152 ? 21.224 -6.912  -0.514  1   12.388 ? 151 GLY   A N     1 ? 1 
ATOM   1214 C  CA    . GLY   A 1 152 ? 20.193 -6.146  -1.191  1   12.284 ? 151 GLY   A CA    1 ? 1 
ATOM   1215 C  C     . GLY   A 1 152 ? 19.739 -6.697  -2.525  1   11.948 ? 151 GLY   A C     1 ? 1 
ATOM   1216 O  O     . GLY   A 1 152 ? 18.839 -6.108  -3.109  1   12.284 ? 151 GLY   A O     1 ? 1 
ATOM   1217 N  N     . VAL   A 1 153 ? 20.332 -7.78   -3.051  1   11.7   ? 152 VAL   A N     1 ? 1 
ATOM   1218 C  CA    . VAL   A 1 153 ? 20.03  -8.195  -4.415  1   11.818 ? 152 VAL   A CA    1 ? 1 
ATOM   1219 C  C     . VAL   A 1 153 ? 18.563 -8.638  -4.555  1   11.634 ? 152 VAL   A C     1 ? 1 
ATOM   1220 O  O     . VAL   A 1 153 ? 17.845 -8.152  -5.444  1   11.364 ? 152 VAL   A O     1 ? 1 
ATOM   1221 C  CB    . VAL   A 1 153 ? 21.016 -9.266  -4.893  1   12.792 ? 152 VAL   A CB    1 ? 1 
ATOM   1222 C  CG1   . VAL   A 1 153 ? 20.582 -9.852  -6.23   1   13.937 ? 152 VAL   A CG1   1 ? 1 
ATOM   1223 C  CG2   . VAL   A 1 153 ? 22.431 -8.681  -4.953  1   13.174 ? 152 VAL   A CG2   1 ? 1 
ATOM   1224 N  N     . ASP   A 1 154 ? 18.124 -9.579  -3.723  1   12.659 ? 153 ASP   A N     1 ? 1 
ATOM   1225 C  CA    . ASP   A 1 154 ? 16.745 -10.012 -3.799  1   13.527 ? 153 ASP   A CA    1 ? 1 
ATOM   1226 C  C     . ASP   A 1 154 ? 15.823 -8.835  -3.551  1   12.855 ? 153 ASP   A C     1 ? 1 
ATOM   1227 O  O     . ASP   A 1 154 ? 14.828 -8.682  -4.269  1   13.208 ? 153 ASP   A O     1 ? 1 
ATOM   1228 C  CB    . ASP   A 1 154 ? 16.441 -11.096 -2.784  1   15.616 ? 153 ASP   A CB    1 ? 1 
ATOM   1229 C  CG    . ASP   A 1 154 ? 17.056 -12.45  -3.062  1   18.367 ? 153 ASP   A CG    1 ? 1 
ATOM   1230 O  OD1   . ASP   A 1 154 ? 17.42  -12.743 -4.208  1   19.999 ? 153 ASP   A OD1   1 ? 1 
ATOM   1231 O  OD2   . ASP   A 1 154 ? 17.052 -13.236 -2.124  1   24.518 ? 153 ASP   A OD2   1 ? 1 
ATOM   1232 N  N     . ASP   A 1 155 ? 16.159 -7.979  -2.58   1   12.776 ? 154 ASP   A N     1 ? 1 
ATOM   1233 C  CA    A ASP   A 1 155 ? 15.331 -6.813  -2.272  0.5 12.969 ? 154 ASP   A CA    1 ? 1 
ATOM   1234 C  CA    B ASP   A 1 155 ? 15.286 -6.856  -2.293  0.5 13.315 ? 154 ASP   A CA    1 ? 1 
ATOM   1235 C  C     . ASP   A 1 155 ? 15.137 -5.93   -3.498  1   11.522 ? 154 ASP   A C     1 ? 1 
ATOM   1236 O  O     . ASP   A 1 155 ? 14.038 -5.451  -3.751  1   11.841 ? 154 ASP   A O     1 ? 1 
ATOM   1237 C  CB    A ASP   A 1 155 ? 15.915 -5.95   -1.152  0.5 14.28  ? 154 ASP   A CB    1 ? 1 
ATOM   1238 C  CB    B ASP   A 1 155 ? 15.735 -6.173  -1.015  0.5 15.594 ? 154 ASP   A CB    1 ? 1 
ATOM   1239 C  CG    A ASP   A 1 155 ? 14.968 -4.958  -0.466  0.5 16.124 ? 154 ASP   A CG    1 ? 1 
ATOM   1240 C  CG    B ASP   A 1 155 ? 15.562 -7.005  0.252   0.5 19.081 ? 154 ASP   A CG    1 ? 1 
ATOM   1241 O  OD1   A ASP   A 1 155 ? 13.747 -5.036  -0.675  0.5 16.841 ? 154 ASP   A OD1   1 ? 1 
ATOM   1242 O  OD1   B ASP   A 1 155 ? 14.804 -7.998  0.213   0.5 22.869 ? 154 ASP   A OD1   1 ? 1 
ATOM   1243 O  OD2   A ASP   A 1 155 ? 15.487 -4.084  0.26    0.5 19.692 ? 154 ASP   A OD2   1 ? 1 
ATOM   1244 O  OD2   B ASP   A 1 155 ? 16.254 -6.7    1.219   0.5 24.641 ? 154 ASP   A OD2   1 ? 1 
ATOM   1245 N  N     . ALA   A 1 156 ? 16.213 -5.685  -4.238  1   11.128 ? 155 ALA   A N     1 ? 1 
ATOM   1246 C  CA    . ALA   A 1 156 ? 16.111 -4.815  -5.404  1   10.474 ? 155 ALA   A CA    1 ? 1 
ATOM   1247 C  C     . ALA   A 1 156 ? 15.106 -5.381  -6.411  1   9.925  ? 155 ALA   A C     1 ? 1 
ATOM   1248 O  O     . ALA   A 1 156 ? 14.204 -4.686  -6.906  1   9.838  ? 155 ALA   A O     1 ? 1 
ATOM   1249 C  CB    . ALA   A 1 156 ? 17.464 -4.584  -6.015  1   10.925 ? 155 ALA   A CB    1 ? 1 
ATOM   1250 N  N     . PHE   A 1 157 ? 15.287 -6.651  -6.794  1   10.147 ? 156 PHE   A N     1 ? 1 
ATOM   1251 C  CA    . PHE   A 1 157 ? 14.413 -7.255  -7.78   1   9.816  ? 156 PHE   A CA    1 ? 1 
ATOM   1252 C  C     . PHE   A 1 157 ? 12.969 -7.398  -7.278  1   10.424 ? 156 PHE   A C     1 ? 1 
ATOM   1253 O  O     . PHE   A 1 157 ? 12.005 -7.163  -8.028  1   10.496 ? 156 PHE   A O     1 ? 1 
ATOM   1254 C  CB    . PHE   A 1 157 ? 15.001 -8.576  -8.275  1   10.446 ? 156 PHE   A CB    1 ? 1 
ATOM   1255 C  CG    . PHE   A 1 157 ? 16.193 -8.41   -9.208  1   10.623 ? 156 PHE   A CG    1 ? 1 
ATOM   1256 C  CD1   . PHE   A 1 157 ? 15.993 -8.16   -10.557 1   11.132 ? 156 PHE   A CD1   1 ? 1 
ATOM   1257 C  CD2   . PHE   A 1 157 ? 17.493 -8.528  -8.738  1   10.966 ? 156 PHE   A CD2   1 ? 1 
ATOM   1258 C  CE1   . PHE   A 1 157 ? 17.084 -8.023  -11.42  1   11.722 ? 156 PHE   A CE1   1 ? 1 
ATOM   1259 C  CE2   . PHE   A 1 157 ? 18.574 -8.439  -9.591  1   11.386 ? 156 PHE   A CE2   1 ? 1 
ATOM   1260 C  CZ    . PHE   A 1 157 ? 18.384 -8.159  -10.922 1   11.584 ? 156 PHE   A CZ    1 ? 1 
ATOM   1261 N  N     . TYR   A 1 158 ? 12.815 -7.854  -6.038  1   10.393 ? 157 TYR   A N     1 ? 1 
ATOM   1262 C  CA    . TYR   A 1 158 ? 11.474 -8.061  -5.492  1   11.379 ? 157 TYR   A CA    1 ? 1 
ATOM   1263 C  C     . TYR   A 1 158 ? 10.742 -6.742  -5.304  1   11.099 ? 157 TYR   A C     1 ? 1 
ATOM   1264 O  O     . TYR   A 1 158 ? 9.536  -6.667  -5.535  1   11.476 ? 157 TYR   A O     1 ? 1 
ATOM   1265 C  CB    . TYR   A 1 158 ? 11.527 -8.816  -4.188  1   12.767 ? 157 TYR   A CB    1 ? 1 
ATOM   1266 C  CG    . TYR   A 1 158 ? 11.987 -10.259 -4.218  1   14.326 ? 157 TYR   A CG    1 ? 1 
ATOM   1267 C  CD1   . TYR   A 1 158 ? 12.54  -10.872 -5.347  1   15.912 ? 157 TYR   A CD1   1 ? 1 
ATOM   1268 C  CD2   . TYR   A 1 158 ? 11.895 -11.018 -3.064  1   17.425 ? 157 TYR   A CD2   1 ? 1 
ATOM   1269 C  CE1   . TYR   A 1 158 ? 12.99  -12.182 -5.321  1   18.124 ? 157 TYR   A CE1   1 ? 1 
ATOM   1270 C  CE2   . TYR   A 1 158 ? 12.337 -12.331 -3.036  1   19.812 ? 157 TYR   A CE2   1 ? 1 
ATOM   1271 C  CZ    . TYR   A 1 158 ? 12.896 -12.918 -4.155  1   20.161 ? 157 TYR   A CZ    1 ? 1 
ATOM   1272 O  OH    . TYR   A 1 158 ? 13.332 -14.222 -4.098  1   25.541 ? 157 TYR   A OH    1 ? 1 
ATOM   1273 N  N     . THR   A 1 159 ? 11.477 -5.691  -4.922  1   10.252 ? 158 THR   A N     1 ? 1 
ATOM   1274 C  CA    . THR   A 1 159 ? 10.837 -4.371  -4.822  1   10.722 ? 158 THR   A CA    1 ? 1 
ATOM   1275 C  C     . THR   A 1 159 ? 10.324 -3.925  -6.191  1   10.221 ? 158 THR   A C     1 ? 1 
ATOM   1276 O  O     . THR   A 1 159 ? 9.234  -3.362  -6.307  1   11.164 ? 158 THR   A O     1 ? 1 
ATOM   1277 C  CB    . THR   A 1 159 ? 11.833 -3.369  -4.241  1   11.401 ? 158 THR   A CB    1 ? 1 
ATOM   1278 O  OG1   . THR   A 1 159 ? 12.14  -3.742  -2.895  1   13.234 ? 158 THR   A OG1   1 ? 1 
ATOM   1279 C  CG2   . THR   A 1 159 ? 11.269 -1.958  -4.176  1   12.466 ? 158 THR   A CG2   1 ? 1 
ATOM   1280 N  N     . LEU   A 1 160 ? 11.092 -4.212  -7.247  1   9.272  ? 159 LEU   A N     1 ? 1 
ATOM   1281 C  CA    . LEU   A 1 160 ? 10.629 -3.862  -8.592  1   9.351  ? 159 LEU   A CA    1 ? 1 
ATOM   1282 C  C     . LEU   A 1 160 ? 9.354  -4.614  -8.964  1   10.105 ? 159 LEU   A C     1 ? 1 
ATOM   1283 O  O     . LEU   A 1 160 ? 8.433  -4.019  -9.503  1   10.422 ? 159 LEU   A O     1 ? 1 
ATOM   1284 C  CB    . LEU   A 1 160 ? 11.732 -4.074  -9.61   1   9.347  ? 159 LEU   A CB    1 ? 1 
ATOM   1285 C  CG    . LEU   A 1 160 ? 11.381 -3.69   -11.051 1   9.902  ? 159 LEU   A CG    1 ? 1 
ATOM   1286 C  CD1   . LEU   A 1 160 ? 10.965 -2.224  -11.147 1   10.755 ? 159 LEU   A CD1   1 ? 1 
ATOM   1287 C  CD2   . LEU   A 1 160 ? 12.557 -3.95   -11.963 1   9.885  ? 159 LEU   A CD2   1 ? 1 
ATOM   1288 N  N     . VAL   A 1 161 ? 9.271  -5.902  -8.624  1   10.014 ? 160 VAL   A N     1 ? 1 
ATOM   1289 C  CA    . VAL   A 1 161 ? 8.039  -6.657  -8.858  1   10.748 ? 160 VAL   A CA    1 ? 1 
ATOM   1290 C  C     . VAL   A 1 161 ? 6.878  -6.011  -8.095  1   11.892 ? 160 VAL   A C     1 ? 1 
ATOM   1291 O  O     . VAL   A 1 161 ? 5.784  -5.861  -8.657  1   12.407 ? 160 VAL   A O     1 ? 1 
ATOM   1292 C  CB    . VAL   A 1 161 ? 8.215  -8.137  -8.47   1   11.449 ? 160 VAL   A CB    1 ? 1 
ATOM   1293 C  CG1   . VAL   A 1 161 ? 6.881  -8.884  -8.389  1   13.402 ? 160 VAL   A CG1   1 ? 1 
ATOM   1294 C  CG2   . VAL   A 1 161 ? 9.204  -8.819  -9.422  1   11.611 ? 160 VAL   A CG2   1 ? 1 
ATOM   1295 N  N     . ARG   A 1 162 ? 7.107  -5.578  -6.844  1   11.622 ? 161 ARG   A N     1 ? 1 
ATOM   1296 C  CA    . ARG   A 1 162 ? 6.041  -4.935  -6.089  1   12.982 ? 161 ARG   A CA    1 ? 1 
ATOM   1297 C  C     . ARG   A 1 162 ? 5.618  -3.617  -6.737  1   13.258 ? 161 ARG   A C     1 ? 1 
ATOM   1298 O  O     . ARG   A 1 162 ? 4.433  -3.261  -6.702  1   14.593 ? 161 ARG   A O     1 ? 1 
ATOM   1299 C  CB    . ARG   A 1 162 ? 6.451  -4.758  -4.621  1   13.413 ? 161 ARG   A CB    1 ? 1 
ATOM   1300 C  CG    . ARG   A 1 162 ? 6.624  -6.089  -3.894  1   14.156 ? 161 ARG   A CG    1 ? 1 
ATOM   1301 C  CD    . ARG   A 1 162 ? 7.193  -5.888  -2.483  1   16.506 ? 161 ARG   A CD    1 ? 1 
ATOM   1302 N  NE    . ARG   A 1 162 ? 7.515  -7.194  -1.893  1   17.686 ? 161 ARG   A NE    1 ? 1 
ATOM   1303 C  CZ    . ARG   A 1 162 ? 8.696  -7.61   -1.499  1   18.786 ? 161 ARG   A CZ    1 ? 1 
ATOM   1304 N  NH1   . ARG   A 1 162 ? 9.739  -6.777  -1.51   1   19.633 ? 161 ARG   A NH1   1 ? 1 
ATOM   1305 N  NH2   . ARG   A 1 162 ? 8.818  -8.846  -1.063  1   20.384 ? 161 ARG   A NH2   1 ? 1 
ATOM   1306 N  N     . GLU   A 1 163 ? 6.562  -2.877  -7.333  1   12.287 ? 162 GLU   A N     1 ? 1 
ATOM   1307 C  CA    . GLU   A 1 163 ? 6.218  -1.656  -8.068  1   13.031 ? 162 GLU   A CA    1 ? 1 
ATOM   1308 C  C     . GLU   A 1 163 ? 5.356  -1.962  -9.287  1   12.928 ? 162 GLU   A C     1 ? 1 
ATOM   1309 O  O     . GLU   A 1 163 ? 4.419  -1.217  -9.601  1   14.334 ? 162 GLU   A O     1 ? 1 
ATOM   1310 C  CB    . GLU   A 1 163 ? 7.475  -0.877  -8.489  1   13.027 ? 162 GLU   A CB    1 ? 1 
ATOM   1311 C  CG    . GLU   A 1 163 ? 8.224  -0.254  -7.319  1   14.053 ? 162 GLU   A CG    1 ? 1 
ATOM   1312 C  CD    . GLU   A 1 163 ? 7.428  0.796   -6.573  1   16.423 ? 162 GLU   A CD    1 ? 1 
ATOM   1313 O  OE1   . GLU   A 1 163 ? 7.099  1.814   -7.212  1   17.968 ? 162 GLU   A OE1   1 ? 1 
ATOM   1314 O  OE2   . GLU   A 1 163 ? 7.077  0.577   -5.409  1   20.327 ? 162 GLU   A OE2   1 ? 1 
ATOM   1315 N  N     . ILE   A 1 164 ? 5.664  -3.059  -9.993  1   12.093 ? 163 ILE   A N     1 ? 1 
ATOM   1316 C  CA    . ILE   A 1 164 ? 4.83   -3.484  -11.099 1   12.533 ? 163 ILE   A CA    1 ? 1 
ATOM   1317 C  C     . ILE   A 1 164 ? 3.415  -3.801  -10.631 1   14.126 ? 163 ILE   A C     1 ? 1 
ATOM   1318 O  O     . ILE   A 1 164 ? 2.435  -3.386  -11.275 1   15.035 ? 163 ILE   A O     1 ? 1 
ATOM   1319 C  CB    . ILE   A 1 164 ? 5.477  -4.623  -11.902 1   12.349 ? 163 ILE   A CB    1 ? 1 
ATOM   1320 C  CG1   . ILE   A 1 164 ? 6.788  -4.163  -12.568 1   11.621 ? 163 ILE   A CG1   1 ? 1 
ATOM   1321 C  CG2   . ILE   A 1 164 ? 4.518  -5.171  -12.963 1   13.651 ? 163 ILE   A CG2   1 ? 1 
ATOM   1322 C  CD1   . ILE   A 1 164 ? 7.634  -5.322  -13.055 1   11.725 ? 163 ILE   A CD1   1 ? 1 
ATOM   1323 N  N     . ARG   A 1 165 ? 3.299  -4.577  -9.549  1   14.396 ? 164 ARG   A N     1 ? 1 
ATOM   1324 C  CA    . ARG   A 1 165 ? 1.968  -4.94   -9.048  1   16.141 ? 164 ARG   A CA    1 ? 1 
ATOM   1325 C  C     . ARG   A 1 165 ? 1.17   -3.69   -8.69   1   17.66  ? 164 ARG   A C     1 ? 1 
ATOM   1326 O  O     . ARG   A 1 165 ? -0.018 -3.626  -8.989  1   18.411 ? 164 ARG   A O     1 ? 1 
ATOM   1327 C  CB    . ARG   A 1 165 ? 2.098  -5.79   -7.793  1   16.841 ? 164 ARG   A CB    1 ? 1 
ATOM   1328 C  CG    . ARG   A 1 165 ? 2.613  -7.185  -8.058  1   17.327 ? 164 ARG   A CG    1 ? 1 
ATOM   1329 C  CD    . ARG   A 1 165 ? 2.749  -7.793  -6.691  1   19.274 ? 164 ARG   A CD    1 ? 1 
ATOM   1330 N  NE    . ARG   A 1 165 ? 3.36   -9.099  -6.797  1   20.371 ? 164 ARG   A NE    1 ? 1 
ATOM   1331 C  CZ    . ARG   A 1 165 ? 3.962  -9.697  -5.746  1   19.823 ? 164 ARG   A CZ    1 ? 1 
ATOM   1332 N  NH1   . ARG   A 1 165 ? 4.233  -9.043  -4.633  1   20.004 ? 164 ARG   A NH1   1 ? 1 
ATOM   1333 N  NH2   . ARG   A 1 165 ? 4.396  -10.897 -5.885  1   20.503 ? 164 ARG   A NH2   1 ? 1 
ATOM   1334 N  N     . LYS   A 1 166 ? 1.827  -2.703  -8.064  1   17.428 ? 165 LYS   A N     1 ? 1 
ATOM   1335 C  CA    . LYS   A 1 166 ? 1.112  -1.472  -7.718  1   19.508 ? 165 LYS   A CA    1 ? 1 
ATOM   1336 C  C     . LYS   A 1 166 ? 0.642  -0.755  -8.984  1   19.255 ? 165 LYS   A C     1 ? 1 
ATOM   1337 O  O     . LYS   A 1 166 ? -0.454 -0.217  -9.043  1   21.42  ? 165 LYS   A O     1 ? 1 
ATOM   1338 C  CB    . LYS   A 1 166 ? 2.015  -0.518  -6.948  1   21.256 ? 165 LYS   A CB    1 ? 1 
ATOM   1339 C  CG    . LYS   A 1 166 ? 2.13   -0.916  -5.498  1   24.76  ? 165 LYS   A CG    1 ? 1 
ATOM   1340 C  CD    . LYS   A 1 166 ? 3.33   -0.379  -4.742  1   29.457 ? 165 LYS   A CD    1 ? 1 
ATOM   1341 C  CE    . LYS   A 1 166 ? 3.56   1.098   -4.808  1   32.606 ? 165 LYS   A CE    1 ? 1 
ATOM   1342 N  NZ    . LYS   A 1 166 ? 4.766  1.404   -4.016  1   33.69  ? 165 LYS   A NZ    1 ? 1 
ATOM   1343 N  N     . HIS   A 1 167 ? 1.475  -0.747  -10.022 1   17.684 ? 166 HIS   A N     1 ? 1 
ATOM   1344 C  CA    . HIS   A 1 167 ? 1.091  -0.12   -11.285 1   17.83  ? 166 HIS   A CA    1 ? 1 
ATOM   1345 C  C     . HIS   A 1 167 ? -0.116 -0.79   -11.922 1   18.271 ? 166 HIS   A C     1 ? 1 
ATOM   1346 O  O     . HIS   A 1 167 ? -1.019 -0.103  -12.403 1   19.635 ? 166 HIS   A O     1 ? 1 
ATOM   1347 C  CB    . HIS   A 1 167 ? 2.281  -0.121  -12.249 1   17.581 ? 166 HIS   A CB    1 ? 1 
ATOM   1348 C  CG    . HIS   A 1 167 ? 2.043  0.554   -13.537 1   19.766 ? 166 HIS   A CG    1 ? 1 
ATOM   1349 N  ND1   . HIS   A 1 167 ? 1.611  -0.102  -14.668 1   22.853 ? 166 HIS   A ND1   1 ? 1 
ATOM   1350 C  CD2   . HIS   A 1 167 ? 2.102  1.833   -13.852 1   22.568 ? 166 HIS   A CD2   1 ? 1 
ATOM   1351 C  CE1   . HIS   A 1 167 ? 1.424  0.788   -15.635 1   24.325 ? 166 HIS   A CE1   1 ? 1 
ATOM   1352 N  NE2   . HIS   A 1 167 ? 1.742  1.971   -15.162 1   24.863 ? 166 HIS   A NE2   1 ? 1 
ATOM   1353 N  N     . LYS   A 1 168 ? -0.184 -2.121  -11.84  1   17.949 ? 167 LYS   A N     1 ? 1 
ATOM   1354 C  CA    . LYS   A 1 168 ? -1.295 -2.849  -12.451 1   19.453 ? 167 LYS   A CA    1 ? 1 
ATOM   1355 C  C     . LYS   A 1 168 ? -2.633 -2.537  -11.773 1   20.892 ? 167 LYS   A C     1 ? 1 
ATOM   1356 O  O     . LYS   A 1 168 ? -3.644 -2.663  -12.452 1   22.356 ? 167 LYS   A O     1 ? 1 
ATOM   1357 C  CB    . LYS   A 1 168 ? -1.043 -4.359  -12.418 1   19.716 ? 167 LYS   A CB    1 ? 1 
ATOM   1358 C  CG    . LYS   A 1 168 ? 0.019  -4.883  -13.389 1   19.448 ? 167 LYS   A CG    1 ? 1 
ATOM   1359 C  CD    . LYS   A 1 168 ? 0.14   -6.386  -13.215 1   20.655 ? 167 LYS   A CD    1 ? 1 
ATOM   1360 C  CE    . LYS   A 1 168 ? 1.195  -6.965  -14.115 1   20.412 ? 167 LYS   A CE    1 ? 1 
ATOM   1361 N  NZ    . LYS   A 1 168 ? 1.219  -8.415  -13.948 1   21.445 ? 167 LYS   A NZ    1 ? 1 
ATOM   1362 N  N     . GLU   A 1 169 ? -2.593 -2.16   -10.471 1   20.668 ? 168 GLU   A N     1 ? 1 
ATOM   1363 C  CA    A GLU   A 1 169 ? -3.827 -1.851  -9.75   0.5 22.652 ? 168 GLU   A CA    1 ? 1 
ATOM   1364 C  CA    B GLU   A 1 169 ? -3.72  -1.775  -9.628  0.5 22.475 ? 168 GLU   A CA    1 ? 1 
ATOM   1365 C  C     . GLU   A 1 169 ? -4.322 -0.426  -9.982  1   23.336 ? 168 GLU   A C     1 ? 1 
ATOM   1366 O  O     . GLU   A 1 169 ? -5.451 -0.157  -9.573  1   24.726 ? 168 GLU   A O     1 ? 1 
ATOM   1367 C  CB    A GLU   A 1 169 ? -3.667 -2.07   -8.236  0.5 23.141 ? 168 GLU   A CB    1 ? 1 
ATOM   1368 C  CB    B GLU   A 1 169 ? -3.263 -1.514  -8.171  0.5 22.618 ? 168 GLU   A CB    1 ? 1 
ATOM   1369 C  CG    A GLU   A 1 169 ? -3.112 -3.431  -7.846  0.5 23.171 ? 168 GLU   A CG    1 ? 1 
ATOM   1370 C  CG    B GLU   A 1 169 ? -2.957 -2.722  -7.298  0.5 22.693 ? 168 GLU   A CG    1 ? 1 
ATOM   1371 C  CD    A GLU   A 1 169 ? -3.659 -4.248  -6.701  0.5 24.366 ? 168 GLU   A CD    1 ? 1 
ATOM   1372 C  CD    B GLU   A 1 169 ? -2.327 -2.614  -5.912  0.5 23     ? 168 GLU   A CD    1 ? 1 
ATOM   1373 O  OE1   A GLU   A 1 169 ? -3.933 -5.471  -6.679  0.5 25.633 ? 168 GLU   A OE1   1 ? 1 
ATOM   1374 O  OE1   B GLU   A 1 169 ? -2.325 -3.667  -5.296  0.5 23.964 ? 168 GLU   A OE1   1 ? 1 
ATOM   1375 O  OE2   A GLU   A 1 169 ? -3.732 -3.565  -5.72   0.5 25.52  ? 168 GLU   A OE2   1 ? 1 
ATOM   1376 O  OE2   B GLU   A 1 169 ? -1.874 -1.587  -5.42   0.5 23.269 ? 168 GLU   A OE2   1 ? 1 
ATOM   1377 N  N     . LYS   A 1 170 ? -3.512 0.47    -10.562 1   22.1   ? 169 LYS   A N     1 ? 1 
ATOM   1378 C  CA    . LYS   A 1 170 ? -3.931 1.844   -10.814 1   23.106 ? 169 LYS   A CA    1 ? 1 
ATOM   1379 C  C     . LYS   A 1 170 ? -5.127 1.892   -11.821 1   24.748 ? 169 LYS   A C     1 ? 1 
ATOM   1380 O  O     . LYS   A 1 170 ? -5.971 2.84    -11.54  1   26.928 ? 169 LYS   A O     1 ? 1 
ATOM   1381 C  CB    . LYS   A 1 170 ? -2.767 2.725   -11.281 1   22.415 ? 169 LYS   A CB    1 ? 1 
HETATM 1382 P  PB    . GDP   B 2 .   ? 28.053 -4.168  -16.107 1   11.564 ? 201 GDP   A PB    1 ? 1 
HETATM 1383 O  O1B   . GDP   B 2 .   ? 27.093 -3.181  -15.559 1   10.928 ? 201 GDP   A O1B   1 ? 1 
HETATM 1384 O  O2B   . GDP   B 2 .   ? 28.988 -3.601  -17.159 1   13.19  ? 201 GDP   A O2B   1 ? 1 
HETATM 1385 O  O3B   . GDP   B 2 .   ? 27.426 -5.475  -16.555 1   11.854 ? 201 GDP   A O3B   1 ? 1 
HETATM 1386 O  O3A   . GDP   B 2 .   ? 29.005 -4.515  -14.814 1   12.846 ? 201 GDP   A O3A   1 ? 1 
HETATM 1387 P  PA    . GDP   B 2 .   ? 29.703 -5.877  -14.398 1   13.192 ? 201 GDP   A PA    1 ? 1 
HETATM 1388 O  O1A   . GDP   B 2 .   ? 28.76  -6.786  -13.736 1   13.836 ? 201 GDP   A O1A   1 ? 1 
HETATM 1389 O  O2A   . GDP   B 2 .   ? 30.477 -6.374  -15.576 1   15.972 ? 201 GDP   A O2A   1 ? 1 
HETATM 1390 O  "O5'" . GDP   B 2 .   ? 30.706 -5.374  -13.271 1   14.125 ? 201 GDP   A "O5'" 1 ? 1 
HETATM 1391 C  "C5'" . GDP   B 2 .   ? 31.782 -4.462  -13.577 1   14.446 ? 201 GDP   A "C5'" 1 ? 1 
HETATM 1392 C  "C4'" . GDP   B 2 .   ? 32.937 -4.683  -12.624 1   16.639 ? 201 GDP   A "C4'" 1 ? 1 
HETATM 1393 O  "O4'" . GDP   B 2 .   ? 32.554 -4.338  -11.257 1   15.637 ? 201 GDP   A "O4'" 1 ? 1 
HETATM 1394 C  "C3'" . GDP   B 2 .   ? 33.449 -6.111  -12.504 1   18.779 ? 201 GDP   A "C3'" 1 ? 1 
HETATM 1395 O  "O3'" . GDP   B 2 .   ? 34.861 -6.097  -12.259 1   22.432 ? 201 GDP   A "O3'" 1 ? 1 
HETATM 1396 C  "C2'" . GDP   B 2 .   ? 32.711 -6.702  -11.296 1   18.495 ? 201 GDP   A "C2'" 1 ? 1 
HETATM 1397 O  "O2'" . GDP   B 2 .   ? 33.385 -7.754  -10.649 1   21.533 ? 201 GDP   A "O2'" 1 ? 1 
HETATM 1398 C  "C1'" . GDP   B 2 .   ? 32.637 -5.475  -10.412 1   17.158 ? 201 GDP   A "C1'" 1 ? 1 
HETATM 1399 N  N9    . GDP   B 2 .   ? 31.484 -5.468  -9.54   1   15.117 ? 201 GDP   A N9    1 ? 1 
HETATM 1400 C  C8    . GDP   B 2 .   ? 30.166 -5.596  -9.897  1   14.349 ? 201 GDP   A C8    1 ? 1 
HETATM 1401 N  N7    . GDP   B 2 .   ? 29.347 -5.507  -8.89   1   13.149 ? 201 GDP   A N7    1 ? 1 
HETATM 1402 C  C5    . GDP   B 2 .   ? 30.177 -5.31   -7.797  1   13.664 ? 201 GDP   A C5    1 ? 1 
HETATM 1403 C  C6    . GDP   B 2 .   ? 29.854 -5.084  -6.43   1   13.282 ? 201 GDP   A C6    1 ? 1 
HETATM 1404 O  O6    . GDP   B 2 .   ? 28.731 -5.011  -5.913  1   13.192 ? 201 GDP   A O6    1 ? 1 
HETATM 1405 N  N1    . GDP   B 2 .   ? 30.997 -4.848  -5.658  1   14.207 ? 201 GDP   A N1    1 ? 1 
HETATM 1406 C  C2    . GDP   B 2 .   ? 32.276 -4.878  -6.141  1   15.804 ? 201 GDP   A C2    1 ? 1 
HETATM 1407 N  N2    . GDP   B 2 .   ? 33.235 -4.685  -5.249  1   18.369 ? 201 GDP   A N2    1 ? 1 
HETATM 1408 N  N3    . GDP   B 2 .   ? 32.579 -5.104  -7.414  1   16.385 ? 201 GDP   A N3    1 ? 1 
HETATM 1409 C  C4    . GDP   B 2 .   ? 31.489 -5.26   -8.192  1   15.229 ? 201 GDP   A C4    1 ? 1 
HETATM 1410 C  C1    . A1BEJ C 3 .   ? 25.08  10.896  -24.186 1   13.403 ? 202 A1BEJ A C1    1 ? ? 
HETATM 1411 O  O1    . A1BEJ C 3 .   ? 16.729 3.52    -28.356 1   15.518 ? 202 A1BEJ A O1    1 ? ? 
HETATM 1412 N  N2    . A1BEJ C 3 .   ? 24.311 7.093   -22.616 1   14.755 ? 202 A1BEJ A N2    1 ? ? 
HETATM 1413 C  C2    . A1BEJ C 3 .   ? 27.237 9.889   -23.693 1   15.463 ? 202 A1BEJ A C2    1 ? ? 
HETATM 1414 C  C3    . A1BEJ C 3 .   ? 25.235 8.976   -22.66  1   13.763 ? 202 A1BEJ A C3    1 ? ? 
HETATM 1415 N  N1    . A1BEJ C 3 .   ? 25.796 9.622   -23.869 1   13.268 ? 202 A1BEJ A N1    1 ? ? 
HETATM 1416 C  C4    . A1BEJ C 3 .   ? 25.698 7.522   -22.392 1   14.774 ? 202 A1BEJ A C4    1 ? ? 
HETATM 1417 C  C5    . A1BEJ C 3 .   ? 23.816 8.462   -22.825 1   13.842 ? 202 A1BEJ A C5    1 ? ? 
HETATM 1418 C  C6    . A1BEJ C 3 .   ? 23.81  5.902   -23.084 1   13.243 ? 202 A1BEJ A C6    1 ? ? 
HETATM 1419 N  N3    . A1BEJ C 3 .   ? 22.513 5.825   -23.382 1   13.16  ? 202 A1BEJ A N3    1 ? ? 
HETATM 1420 C  C7    . A1BEJ C 3 .   ? 21.998 4.631   -23.86  1   12.436 ? 202 A1BEJ A C7    1 ? ? 
HETATM 1421 C  C8    . A1BEJ C 3 .   ? 20.661 4.606   -24.296 1   12.685 ? 202 A1BEJ A C8    1 ? ? 
HETATM 1422 F  F1    . A1BEJ C 3 .   ? 19.898 5.68    -24.082 1   13.558 ? 202 A1BEJ A F1    1 ? ? 
HETATM 1423 C  C9    . A1BEJ C 3 .   ? 20.08  3.484   -24.888 1   12.269 ? 202 A1BEJ A C9    1 ? ? 
HETATM 1424 C  C10   . A1BEJ C 3 .   ? 20.885 2.352   -25.067 1   12.451 ? 202 A1BEJ A C10   1 ? ? 
HETATM 1425 CL CL1   . A1BEJ C 3 .   ? 20.269 0.958   -25.867 1   14.787 ? 202 A1BEJ A CL1   1 ? ? 
HETATM 1426 C  C11   . A1BEJ C 3 .   ? 22.172 2.327   -24.598 1   12.554 ? 202 A1BEJ A C11   1 ? ? 
HETATM 1427 C  C12   . A1BEJ C 3 .   ? 22.753 3.435   -23.97  1   12.222 ? 202 A1BEJ A C12   1 ? ? 
HETATM 1428 C  C13   . A1BEJ C 3 .   ? 24.1   3.539   -23.488 1   13.451 ? 202 A1BEJ A C13   1 ? ? 
HETATM 1429 C  C14   . A1BEJ C 3 .   ? 24.637 4.762   -23.081 1   13.198 ? 202 A1BEJ A C14   1 ? ? 
HETATM 1430 N  N4    . A1BEJ C 3 .   ? 25.96  4.579   -22.691 1   15.227 ? 202 A1BEJ A N4    1 ? ? 
HETATM 1431 C  C15   . A1BEJ C 3 .   ? 26.168 3.295   -22.83  1   14.399 ? 202 A1BEJ A C15   1 ? ? 
HETATM 1432 N  N5    . A1BEJ C 3 .   ? 25.08  2.604   -23.32  1   13.402 ? 202 A1BEJ A N5    1 ? ? 
HETATM 1433 C  C16   . A1BEJ C 3 .   ? 24.862 1.181   -23.256 1   13.475 ? 202 A1BEJ A C16   1 ? ? 
HETATM 1434 C  C17   . A1BEJ C 3 .   ? 25.699 0.274   -22.306 1   13.661 ? 202 A1BEJ A C17   1 ? ? 
HETATM 1435 C  C18   . A1BEJ C 3 .   ? 25.505 0.878   -20.919 1   12.187 ? 202 A1BEJ A C18   1 ? ? 
HETATM 1436 N  N6    . A1BEJ C 3 .   ? 24.077 1.204   -21.012 1   11.855 ? 202 A1BEJ A N6    1 ? ? 
HETATM 1437 C  C19   . A1BEJ C 3 .   ? 23.716 0.629   -22.331 1   12.946 ? 202 A1BEJ A C19   1 ? ? 
HETATM 1438 C  C20   . A1BEJ C 3 .   ? 24.501 -0.701  -22.319 1   13.64  ? 202 A1BEJ A C20   1 ? ? 
HETATM 1439 C  C21   . A1BEJ C 3 .   ? 18.637 3.46    -25.281 1   12.706 ? 202 A1BEJ A C21   1 ? ? 
HETATM 1440 C  C22   . A1BEJ C 3 .   ? 18.262 3.537   -26.594 1   13.187 ? 202 A1BEJ A C22   1 ? ? 
HETATM 1441 C  C23   . A1BEJ C 3 .   ? 16.948 3.438   -27.02  1   13.776 ? 202 A1BEJ A C23   1 ? ? 
HETATM 1442 C  C24   . A1BEJ C 3 .   ? 15.954 3.27    -26.095 1   14.781 ? 202 A1BEJ A C24   1 ? ? 
HETATM 1443 C  C25   . A1BEJ C 3 .   ? 16.265 3.168   -24.709 1   13.051 ? 202 A1BEJ A C25   1 ? ? 
HETATM 1444 C  C26   . A1BEJ C 3 .   ? 15.238 2.97    -23.73  1   13.977 ? 202 A1BEJ A C26   1 ? ? 
HETATM 1445 C  C27   . A1BEJ C 3 .   ? 15.552 2.807   -22.414 1   13.258 ? 202 A1BEJ A C27   1 ? ? 
HETATM 1446 C  C28   . A1BEJ C 3 .   ? 16.873 2.924   -21.971 1   13.646 ? 202 A1BEJ A C28   1 ? ? 
HETATM 1447 C  C29   . A1BEJ C 3 .   ? 17.869 3.137   -22.867 1   12.869 ? 202 A1BEJ A C29   1 ? ? 
HETATM 1448 C  C30   . A1BEJ C 3 .   ? 17.622 3.251   -24.28  1   12.728 ? 202 A1BEJ A C30   1 ? ? 
HETATM 1449 MG MG    . MG    D 4 .   ? 27.328 -6.551  -18.266 1   12.718 ? 203 MG    A MG    1 ? ? 
HETATM 1450 O  O     . HOH   E 5 .   ? 0.034  -4.397  -5.141  1   33.458 ? 301 HOH   A O     1 ? ? 
HETATM 1451 O  O     . HOH   E 5 .   ? 33.977 -3.388  -8.57   1   32.105 ? 302 HOH   A O     1 ? ? 
HETATM 1452 O  O     . HOH   E 5 .   ? 7.857  -1.476  -4.173  1   34.25  ? 303 HOH   A O     1 ? ? 
HETATM 1453 O  O     . HOH   E 5 .   ? 28.999 6.97    -17.897 1   29.059 ? 304 HOH   A O     1 ? ? 
HETATM 1454 O  O     . HOH   E 5 .   ? 36.001 -5.237  -10.11  1   35.354 ? 305 HOH   A O     1 ? ? 
HETATM 1455 O  O     . HOH   E 5 .   ? 10.092 13.435  -18.263 1   35.09  ? 306 HOH   A O     1 ? ? 
HETATM 1456 O  O     . HOH   E 5 .   ? 11.723 11.746  -14.567 1   37.735 ? 307 HOH   A O     1 ? ? 
HETATM 1457 O  O     . HOH   E 5 .   ? 8.32   2.631   -9.375  1   19.494 ? 308 HOH   A O     1 ? ? 
HETATM 1458 O  O     . HOH   E 5 .   ? 25.583 5.531   -19.534 1   18.273 ? 309 HOH   A O     1 ? ? 
HETATM 1459 O  O     . HOH   E 5 .   ? 15.571 -14.502 -5.43   1   28.062 ? 310 HOH   A O     1 ? ? 
HETATM 1460 O  O     . HOH   E 5 .   ? 3.274  -9.118  -15.646 1   26.493 ? 311 HOH   A O     1 ? ? 
HETATM 1461 O  O     . HOH   E 5 .   ? 32.843 -6.69   -16.689 1   33.482 ? 312 HOH   A O     1 ? ? 
HETATM 1462 O  O     . HOH   E 5 .   ? 7.549  -3.779  -28.214 1   37.141 ? 313 HOH   A O     1 ? ? 
HETATM 1463 O  O     . HOH   E 5 .   ? 16.376 -20.134 -13.794 1   25.158 ? 314 HOH   A O     1 ? ? 
HETATM 1464 O  O     . HOH   E 5 .   ? 28.883 1.047   -24.149 1   27.833 ? 315 HOH   A O     1 ? ? 
HETATM 1465 O  O     . HOH   E 5 .   ? 8.212  13.194  -20.407 1   33.987 ? 316 HOH   A O     1 ? ? 
HETATM 1466 O  O     . HOH   E 5 .   ? 2.836  -19.578 -4.589  1   30.423 ? 317 HOH   A O     1 ? ? 
HETATM 1467 O  O     . HOH   E 5 .   ? 36.492 2.51    -6.281  1   23.436 ? 318 HOH   A O     1 ? ? 
HETATM 1468 O  O     . HOH   E 5 .   ? 20.31  -2.897  0.996   1   32.634 ? 319 HOH   A O     1 ? ? 
HETATM 1469 O  O     . HOH   E 5 .   ? 17.894 -4.426  1.315   1   32.744 ? 320 HOH   A O     1 ? ? 
HETATM 1470 O  O     . HOH   E 5 .   ? 25.413 -6.046  -18.681 1   12.911 ? 321 HOH   A O     1 ? ? 
HETATM 1471 O  O     . HOH   E 5 .   ? 1.088  -9.014  -11.204 1   27.647 ? 322 HOH   A O     1 ? ? 
HETATM 1472 O  O     . HOH   E 5 .   ? 8.526  5.856   -12.353 1   26.391 ? 323 HOH   A O     1 ? ? 
HETATM 1473 O  O     . HOH   E 5 .   ? 34.761 -5.427  -1.094  1   33.338 ? 324 HOH   A O     1 ? ? 
HETATM 1474 O  O     . HOH   E 5 .   ? 11.844 -16.11  -2.927  1   30.682 ? 325 HOH   A O     1 ? ? 
HETATM 1475 O  O     . HOH   E 5 .   ? 19.055 -7.958  -26.874 1   46.997 ? 326 HOH   A O     1 ? ? 
HETATM 1476 O  O     . HOH   E 5 .   ? 1.61   -15.87  -10.756 1   38.692 ? 327 HOH   A O     1 ? ? 
HETATM 1477 O  O     . HOH   E 5 .   ? 26.628 -5.96   -27.668 1   37.618 ? 328 HOH   A O     1 ? ? 
HETATM 1478 O  O     . HOH   E 5 .   ? 6.039  -22.214 -5.911  1   39.675 ? 329 HOH   A O     1 ? ? 
HETATM 1479 O  O     . HOH   E 5 .   ? 12.202 -7.784  -0.433  1   33.639 ? 330 HOH   A O     1 ? ? 
HETATM 1480 O  O     . HOH   E 5 .   ? 6.731  4.197   -6.02   1   42.286 ? 331 HOH   A O     1 ? ? 
HETATM 1481 O  O     . HOH   E 5 .   ? 5.773  -6.702  -22.152 1   36.261 ? 332 HOH   A O     1 ? ? 
HETATM 1482 O  O     . HOH   E 5 .   ? 29.263 -7.233  -17.826 1   13.405 ? 333 HOH   A O     1 ? ? 
HETATM 1483 O  O     . HOH   E 5 .   ? -2.908 0.406   -14.261 1   27.038 ? 334 HOH   A O     1 ? ? 
HETATM 1484 O  O     . HOH   E 5 .   ? 16.872 13.911  -12.793 1   36.357 ? 335 HOH   A O     1 ? ? 
HETATM 1485 O  O     . HOH   E 5 .   ? 28.029 -4.88   -19.341 1   12.775 ? 336 HOH   A O     1 ? ? 
HETATM 1486 O  O     . HOH   E 5 .   ? 28.627 -2.723  -22.886 1   18.103 ? 337 HOH   A O     1 ? ? 
HETATM 1487 O  O     . HOH   E 5 .   ? 34.97  5.033   -9.97   1   30.463 ? 338 HOH   A O     1 ? ? 
HETATM 1488 O  O     . HOH   E 5 .   ? -1.455 -5.919  -9.058  1   30.747 ? 339 HOH   A O     1 ? ? 
HETATM 1489 O  O     . HOH   E 5 .   ? 13.666 -13.006 -22.39  1   29.076 ? 340 HOH   A O     1 ? ? 
HETATM 1490 O  O     . HOH   E 5 .   ? 21.679 0.066   -19.961 1   11.467 ? 341 HOH   A O     1 ? ? 
HETATM 1491 O  O     . HOH   E 5 .   ? 22.866 -0.981  -28.381 1   37.217 ? 342 HOH   A O     1 ? ? 
HETATM 1492 O  O     . HOH   E 5 .   ? 21.847 11.609  -17.55  1   20.192 ? 343 HOH   A O     1 ? ? 
HETATM 1493 O  O     . HOH   E 5 .   ? 26.66  -2.356  -19.924 1   12.938 ? 344 HOH   A O     1 ? ? 
HETATM 1494 O  O     . HOH   E 5 .   ? 4.153  1.481   -9.4    1   29.148 ? 345 HOH   A O     1 ? ? 
HETATM 1495 O  O     . HOH   E 5 .   ? 11.516 7.435   -2.797  1   20.146 ? 346 HOH   A O     1 ? ? 
HETATM 1496 O  O     . HOH   E 5 .   ? 4.237  -2.147  -19.425 1   31.507 ? 347 HOH   A O     1 ? ? 
HETATM 1497 O  O     . HOH   E 5 .   ? 19.985 -13.34  -25.683 1   25.831 ? 348 HOH   A O     1 ? ? 
HETATM 1498 O  O     . HOH   E 5 .   ? 20.193 14.014  -5.671  1   31.658 ? 349 HOH   A O     1 ? ? 
HETATM 1499 O  O     . HOH   E 5 .   ? 17.387 -15.9   -2.623  1   35.194 ? 350 HOH   A O     1 ? ? 
HETATM 1500 O  O     . HOH   E 5 .   ? 28.026 -5.685  1.233   1   18.39  ? 351 HOH   A O     1 ? ? 
HETATM 1501 O  O     . HOH   E 5 .   ? 13.807 8.268   -1.459  1   23.176 ? 352 HOH   A O     1 ? ? 
HETATM 1502 O  O     . HOH   E 5 .   ? 24.246 -10.421 -20.314 1   16.225 ? 353 HOH   A O     1 ? ? 
HETATM 1503 O  O     . HOH   E 5 .   ? 15.319 14.978  -10.285 1   34.865 ? 354 HOH   A O     1 ? ? 
HETATM 1504 O  O     . HOH   E 5 .   ? 19.999 -10.565 -1.431  1   16.381 ? 355 HOH   A O     1 ? ? 
HETATM 1505 O  O     . HOH   E 5 .   ? 28.619 12.404  -6.003  1   36.309 ? 356 HOH   A O     1 ? ? 
HETATM 1506 O  O     . HOH   E 5 .   ? 9.865  -4.033  -1.252  1   29.136 ? 357 HOH   A O     1 ? ? 
HETATM 1507 O  O     . HOH   E 5 .   ? 27.426 9.598   -20.055 1   24.6   ? 358 HOH   A O     1 ? ? 
HETATM 1508 O  O     . HOH   E 5 .   ? 11.124 11.158  -21.457 1   30.27  ? 359 HOH   A O     1 ? ? 
HETATM 1509 O  O     . HOH   E 5 .   ? 27.423 -12.238 -10.016 1   16.812 ? 360 HOH   A O     1 ? ? 
HETATM 1510 O  O     . HOH   E 5 .   ? -6.104 -1.465  -12.835 1   18.92  ? 361 HOH   A O     1 ? ? 
HETATM 1511 O  O     . HOH   E 5 .   ? 4.961  2.865   -11.546 1   31.758 ? 362 HOH   A O     1 ? ? 
HETATM 1512 O  O     . HOH   E 5 .   ? 8.125  6.891   -14.787 1   29.516 ? 363 HOH   A O     1 ? ? 
HETATM 1513 O  O     . HOH   E 5 .   ? 14.07  15.015  -3.542  1   27.142 ? 364 HOH   A O     1 ? ? 
HETATM 1514 O  O     . HOH   E 5 .   ? 5.634  -11.434 2.045   1   35.408 ? 365 HOH   A O     1 ? ? 
HETATM 1515 O  O     . HOH   E 5 .   ? 24.213 4.234   -14.536 1   11.997 ? 366 HOH   A O     1 ? ? 
HETATM 1516 O  O     . HOH   E 5 .   ? 30.759 -9.155  -13.755 1   28.124 ? 367 HOH   A O     1 ? ? 
HETATM 1517 O  O     . HOH   E 5 .   ? 17.441 -15.24  -23.511 1   23.81  ? 368 HOH   A O     1 ? ? 
HETATM 1518 O  O     . HOH   E 5 .   ? -1.519 0.878   -6.716  1   25.859 ? 369 HOH   A O     1 ? ? 
HETATM 1519 O  O     . HOH   E 5 .   ? 12.66  -8.727  -19.569 1   28.018 ? 370 HOH   A O     1 ? ? 
HETATM 1520 O  O     . HOH   E 5 .   ? 31.754 -3.863  -17.351 1   23.274 ? 371 HOH   A O     1 ? ? 
HETATM 1521 O  O     . HOH   E 5 .   ? 31.995 -12.631 -3.16   1   30.038 ? 372 HOH   A O     1 ? ? 
HETATM 1522 O  O     . HOH   E 5 .   ? 30.704 3.619   -17.716 1   33.488 ? 373 HOH   A O     1 ? ? 
HETATM 1523 O  O     . HOH   E 5 .   ? 23.389 -4.986  -27.287 1   28.491 ? 374 HOH   A O     1 ? ? 
HETATM 1524 O  O     . HOH   E 5 .   ? 27.541 -7.655  -20.076 1   14.05  ? 375 HOH   A O     1 ? ? 
HETATM 1525 O  O     . HOH   E 5 .   ? 6.896  9.72    -22.768 1   36.959 ? 376 HOH   A O     1 ? ? 
HETATM 1526 O  O     . HOH   E 5 .   ? 8.15   11.032  -3.933  1   30.118 ? 377 HOH   A O     1 ? ? 
HETATM 1527 O  O     . HOH   E 5 .   ? 2.838  -4.469  -16.376 1   30.447 ? 378 HOH   A O     1 ? ? 
HETATM 1528 O  O     . HOH   E 5 .   ? 18.511 -11.641 -24.331 1   52.35  ? 379 HOH   A O     1 ? ? 
HETATM 1529 O  O     . HOH   E 5 .   ? 10.398 -10.522 0.565   1   29.721 ? 380 HOH   A O     1 ? ? 
HETATM 1530 O  O     . HOH   E 5 .   ? 23.228 -1.123  -25.6   1   21.71  ? 381 HOH   A O     1 ? ? 
HETATM 1531 O  O     . HOH   E 5 .   ? 10.214 -14.766 -0.865  1   23.832 ? 382 HOH   A O     1 ? ? 
HETATM 1532 O  O     . HOH   E 5 .   ? 31.964 1.55    -10.618 1   21.954 ? 383 HOH   A O     1 ? ? 
HETATM 1533 O  O     . HOH   E 5 .   ? 36.086 -4.993  -14.591 1   33.436 ? 384 HOH   A O     1 ? ? 
HETATM 1534 O  O     . HOH   E 5 .   ? 2.815  -4.122  -4.505  1   26.322 ? 385 HOH   A O     1 ? ? 
HETATM 1535 O  O     . HOH   E 5 .   ? 26.184 -2.616  -29.433 1   39.713 ? 386 HOH   A O     1 ? ? 
HETATM 1536 O  O     . HOH   E 5 .   ? 8.46   -12.606 -0.198  1   20.431 ? 387 HOH   A O     1 ? ? 
HETATM 1537 O  O     . HOH   E 5 .   ? 4.698  -10.225 -18.717 1   30.82  ? 388 HOH   A O     1 ? ? 
HETATM 1538 O  O     . HOH   E 5 .   ? 20.88  11.413  -12.982 1   25.196 ? 389 HOH   A O     1 ? ? 
HETATM 1539 O  O     . HOH   E 5 .   ? 4.689  10.614  -21.338 1   40.877 ? 390 HOH   A O     1 ? ? 
HETATM 1540 O  O     . HOH   E 5 .   ? 15.46  2.379   -36.782 1   40.053 ? 391 HOH   A O     1 ? ? 
HETATM 1541 O  O     . HOH   E 5 .   ? 1.102  -18.103 -7.032  1   36.669 ? 392 HOH   A O     1 ? ? 
HETATM 1542 O  O     . HOH   E 5 .   ? 1.715  9.34    -18.383 1   47.347 ? 393 HOH   A O     1 ? ? 
HETATM 1543 O  O     . HOH   E 5 .   ? 20.491 -8.463  1.823   1   19.105 ? 394 HOH   A O     1 ? ? 
HETATM 1544 O  O     . HOH   E 5 .   ? 3.087  -6.689  -3.367  1   26.986 ? 395 HOH   A O     1 ? ? 
HETATM 1545 O  O     . HOH   E 5 .   ? 33.311 9.056   -9.141  1   30.054 ? 396 HOH   A O     1 ? ? 
HETATM 1546 O  O     . HOH   E 5 .   ? 21.023 -1.805  -24.072 1   21.038 ? 397 HOH   A O     1 ? ? 
HETATM 1547 O  O     . HOH   E 5 .   ? 28.549 3.793   -26.644 1   31.438 ? 398 HOH   A O     1 ? ? 
HETATM 1548 O  O     . HOH   E 5 .   ? 25.032 -9.091  -26.973 1   25.607 ? 399 HOH   A O     1 ? ? 
HETATM 1549 O  O     . HOH   E 5 .   ? 12.097 -20.492 -19.847 1   22.515 ? 400 HOH   A O     1 ? ? 
HETATM 1550 O  O     . HOH   E 5 .   ? 18.139 -8.623  -0.493  1   16.439 ? 401 HOH   A O     1 ? ? 
HETATM 1551 O  O     . HOH   E 5 .   ? 28.202 -13.584 -2.593  1   28.06  ? 402 HOH   A O     1 ? ? 
HETATM 1552 O  O     . HOH   E 5 .   ? 26.482 7.91    2.342   1   31.708 ? 403 HOH   A O     1 ? ? 
HETATM 1553 O  O     . HOH   E 5 .   ? 19.092 0.161   0.823   1   26.222 ? 404 HOH   A O     1 ? ? 
HETATM 1554 O  O     . HOH   E 5 .   ? 28.504 3.517   -20.189 1   21.817 ? 405 HOH   A O     1 ? ? 
HETATM 1555 O  O     . HOH   E 5 .   ? 24.274 10.21   2.999   1   40.356 ? 406 HOH   A O     1 ? ? 
HETATM 1556 O  O     . HOH   E 5 .   ? 32.224 -13.575 -20.25  1   32.423 ? 407 HOH   A O     1 ? ? 
HETATM 1557 O  O     . HOH   E 5 .   ? 4.808  -0.066  -23.433 1   33.884 ? 408 HOH   A O     1 ? ? 
HETATM 1558 O  O     . HOH   E 5 .   ? 13.32  3.962   -0.965  1   21.066 ? 409 HOH   A O     1 ? ? 
HETATM 1559 O  O     . HOH   E 5 .   ? 14.757 -12.993 -0.222  1   35.345 ? 410 HOH   A O     1 ? ? 
HETATM 1560 O  O     . HOH   E 5 .   ? 29.933 -3.203  -27.511 1   49.849 ? 411 HOH   A O     1 ? ? 
HETATM 1561 O  O     . HOH   E 5 .   ? 14.255 -20.912 -12.013 1   28.186 ? 412 HOH   A O     1 ? ? 
HETATM 1562 O  O     . HOH   E 5 .   ? 2.034  -13.032 -17.165 1   47.532 ? 413 HOH   A O     1 ? ? 
HETATM 1563 O  O     . HOH   E 5 .   ? 21.256 6.11    -32.924 1   28.353 ? 414 HOH   A O     1 ? ? 
HETATM 1564 O  O     . HOH   E 5 .   ? 11.386 -18.767 -4.349  1   29.725 ? 415 HOH   A O     1 ? ? 
HETATM 1565 O  O     . HOH   E 5 .   ? 3.374  2.319   -20.404 1   33.388 ? 416 HOH   A O     1 ? ? 
HETATM 1566 O  O     . HOH   E 5 .   ? 29.553 -15.475 -4.386  1   39.312 ? 417 HOH   A O     1 ? ? 
HETATM 1567 O  O     . HOH   E 5 .   ? 32.774 9.53    -11.961 1   26.202 ? 418 HOH   A O     1 ? ? 
HETATM 1568 O  O     . HOH   E 5 .   ? 28.784 5.758   -22.764 1   37.252 ? 419 HOH   A O     1 ? ? 
HETATM 1569 O  O     . HOH   E 5 .   ? 15.716 -0.775  -36.282 1   30.315 ? 420 HOH   A O     1 ? ? 
HETATM 1570 O  O     . HOH   E 5 .   ? 23.794 10.554  -19.504 1   25.76  ? 421 HOH   A O     1 ? ? 
HETATM 1571 O  O     . HOH   E 5 .   ? 33.411 11.972  -7.858  1   49.555 ? 422 HOH   A O     1 ? ? 
HETATM 1572 O  O     . HOH   E 5 .   ? 24.299 6.245   -3.019  1   31.97  ? 423 HOH   A O     1 ? ? 
HETATM 1573 O  O     . HOH   E 5 .   ? 20.416 -10.163 -26.859 1   33.644 ? 424 HOH   A O     1 ? ? 
HETATM 1574 O  O     . HOH   E 5 .   ? 33.355 7.832   1.365   1   38.203 ? 425 HOH   A O     1 ? ? 
HETATM 1575 O  O     . HOH   E 5 .   ? 23.294 7.803   -19.426 1   27.116 ? 426 HOH   A O     1 ? ? 
HETATM 1576 O  O     . HOH   E 5 .   ? 0.441  -9.867  -7.813  1   35.183 ? 427 HOH   A O     1 ? ? 
HETATM 1577 O  O     . HOH   E 5 .   ? 30.378 5.739   -15.734 1   28.749 ? 428 HOH   A O     1 ? ? 
HETATM 1578 O  O     . HOH   E 5 .   ? 4.421  1.901   -17.865 1   29.867 ? 429 HOH   A O     1 ? ? 
HETATM 1579 O  O     . HOH   E 5 .   ? 29.163 7.986   -21.186 1   35.351 ? 430 HOH   A O     1 ? ? 
HETATM 1580 O  O     . HOH   E 5 .   ? 28.042 5.938   -20.22  1   33.842 ? 431 HOH   A O     1 ? ? 
HETATM 1581 O  O     . HOH   E 5 .   ? 8.416  4.736   -4.089  1   38.764 ? 432 HOH   A O     1 ? ? 
HETATM 1582 O  O     . HOH   E 5 .   ? -6.67  2.186   -14.794 1   35.176 ? 433 HOH   A O     1 ? ? 
HETATM 1583 O  O     . HOH   E 5 .   ? 17.563 14.991  -6.355  1   30.947 ? 434 HOH   A O     1 ? ? 
HETATM 1584 O  O     . HOH   E 5 .   ? 30.308 -2.446  -25.057 1   33.41  ? 435 HOH   A O     1 ? ? 
HETATM 1585 O  O     . HOH   E 5 .   ? 7.223  7.152   -3.577  1   41.271 ? 436 HOH   A O     1 ? ? 
HETATM 1586 O  O     . HOH   E 5 .   ? 21.703 -6.502  -28.318 1   39.068 ? 437 HOH   A O     1 ? ? 
HETATM 1587 O  O     . HOH   E 5 .   ? 32.886 6.649   -15.905 1   39.773 ? 438 HOH   A O     1 ? ? 
HETATM 1588 O  O     . HOH   E 5 .   ? 22.555 -9.082  -28.128 1   39.574 ? 439 HOH   A O     1 ? ? 
HETATM 1589 O  O     . HOH   E 5 .   ? 11.527 15.546  -4.282  1   33.03  ? 440 HOH   A O     1 ? ? 
HETATM 1590 O  O     . HOH   E 5 .   ? 33.958 8.201   -14.078 1   37.148 ? 441 HOH   A O     1 ? ? 
HETATM 1591 O  O     . HOH   E 5 .   ? 7.012  4.913   -10.24  1   33.721 ? 442 HOH   A O     1 ? ? 
HETATM 1592 O  O     . HOH   E 5 .   ? 20.096 0.139   -22.319 1   16.301 ? 443 HOH   A O     1 ? ? 
HETATM 1593 O  O     . HOH   E 5 .   ? 32.878 -1.895  -18.777 1   32.4   ? 444 HOH   A O     1 ? ? 
HETATM 1594 O  O     . HOH   E 5 .   ? 33.593 -7.389  0.727   1   41.122 ? 445 HOH   A O     1 ? ? 
HETATM 1595 O  O     . HOH   E 5 .   ? 14.92  6.223   -0.133  1   28.401 ? 446 HOH   A O     1 ? ? 
HETATM 1596 O  O     . HOH   E 5 .   ? 10.908 5.326   -1.138  1   26.222 ? 447 HOH   A O     1 ? ? 
HETATM 1597 O  O     . HOH   E 5 .   ? 9.083  8.871   -2.754  1   29.526 ? 448 HOH   A O     1 ? ? 
HETATM 1598 O  O     . HOH   E 5 .   ? 34.855 -13.143 -21.039 1   36.454 ? 449 HOH   A O     1 ? ? 
HETATM 1599 O  O     . HOH   E 5 .   ? 8.883  11.673  -22.577 1   32.947 ? 450 HOH   A O     1 ? ? 
HETATM 1600 O  O     . HOH   E 5 .   ? 19.913 13.985  -12.281 1   37.798 ? 451 HOH   A O     1 ? ? 
HETATM 1601 O  O     . HOH   E 5 .   ? 0.256  2.391   -5.647  1   34.246 ? 452 HOH   A O     1 ? ? 
HETATM 1602 O  O     . HOH   E 5 .   ? 34.045 -2.376  -15.447 1   29.569 ? 453 HOH   A O     1 ? ? 
HETATM 1603 O  O     . HOH   E 5 .   ? 7.899  -2.432  -1.809  1   35.629 ? 454 HOH   A O     1 ? ? 
HETATM 1604 O  O     . HOH   E 5 .   ? 30.295 -5.618  2.949   1   32.194 ? 455 HOH   A O     1 ? ? 
HETATM 1605 O  O     . HOH   E 5 .   ? 31.104 -15.972 -16.778 1   43.135 ? 456 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     . GLY   A 1   ? 0.617082  0.592451 0.561344  -0.181495   -0.124474   -0.114483   0   GLY   A N     
2    C  CA    . GLY   A 1   ? 0.601767  0.556915 0.553109  -0.188439   -0.110369   -0.116254   0   GLY   A CA    
3    C  C     . GLY   A 1   ? 0.529067  0.521874 0.523213  -0.163705   -0.0883384  -0.0978968  0   GLY   A C     
4    O  O     . GLY   A 1   ? 0.529913  0.530107 0.524938  -0.170515   -0.103092   -0.121864   0   GLY   A O     
5    N  N     . MET   A 2   ? 0.520822  0.467943 0.487258  -0.169432   -0.0474565  -0.0668514  1   MET   A N     
6    C  CA    . MET   A 2   ? 0.446516  0.450871 0.402523  -0.150245   -0.00910893 -0.0272166  1   MET   A CA    
7    C  C     . MET   A 2   ? 0.384979  0.407287 0.32729   -0.145262   -0.00560873 -0.0336896  1   MET   A C     
8    O  O     . MET   A 2   ? 0.414743  0.414445 0.289779  -0.13672    -0.0335207  -0.0433738  1   MET   A O     
9    C  CB    . MET   A 2   ? 0.4634    0.462899 0.391508  -0.135148   0.00617026  -0.0245964  1   MET   A CB    
10   C  CG    . MET   A 2   ? 0.428385  0.451516 0.352123  -0.118626   0.0267301   -0.0270893  1   MET   A CG    
11   S  SD    . MET   A 2   ? 0.435197  0.450896 0.317871  -0.116542   0.0598768   -0.0247937  1   MET   A SD    
12   C  CE    . MET   A 2   ? 0.473722  0.451698 0.378056  -0.141357   0.0538885   -0.0147088  1   MET   A CE    
13   N  N     . THR   A 3   ? 0.310405  0.392024 0.302301  -0.136013   0.00108342  -0.0158163  2   THR   A N     
14   C  CA    . THR   A 3   ? 0.254425  0.370675 0.308155  -0.119427   -0.00442456 -0.0221287  2   THR   A CA    
15   C  C     . THR   A 3   ? 0.24363   0.310234 0.266992  -0.0994631  -0.015326   -0.025516   2   THR   A C     
16   O  O     . THR   A 3   ? 0.269864  0.296335 0.238267  -0.0734927  0.0149296   0.00246559  2   THR   A O     
17   C  CB    . THR   A 3   ? 0.254489  0.40454  0.340192  -0.0976758  0.0191855   -0.0369673  2   THR   A CB    
18   O  OG1   . THR   A 3   ? 0.263874  0.474281 0.414245  -0.104491   0.0303345   -0.0468694  2   THR   A OG1   
19   C  CG2   . THR   A 3   ? 0.230978  0.401896 0.351695  -0.0887263  0.00174089  -0.0482652  2   THR   A CG2   
20   N  N     . GLU   A 4   ? 0.217752  0.307556 0.269867  -0.091654   -0.038064   -0.0139282  3   GLU   A N     
21   C  CA    . GLU   A 4   ? 0.226148  0.285065 0.253184  -0.0847789  -0.0327441  0.00396011  3   GLU   A CA    
22   C  C     . GLU   A 4   ? 0.207321  0.278268 0.234815  -0.0664383  -0.0420635  0.017633    3   GLU   A C     
23   O  O     . GLU   A 4   ? 0.209852  0.303096 0.264385  -0.0584828  -0.0519664  0.0161058   3   GLU   A O     
24   C  CB    . GLU   A 4   ? 0.273784  0.32493  0.266578  -0.0785814  -0.0400197  -0.00104319 3   GLU   A CB    
25   C  CG    . GLU   A 4   ? 0.29237   0.346896 0.302033  -0.0590397  -0.0235876  -0.00402609 3   GLU   A CG    
26   C  CD    . GLU   A 4   ? 0.3756    0.42585  0.34137   -0.0657811  -0.00304491 -0.0187746  3   GLU   A CD    
27   O  OE1   . GLU   A 4   ? 0.426947  0.549013 0.420736  -0.0450831  -0.0222523  -0.0679948  3   GLU   A OE1   
28   O  OE2   . GLU   A 4   ? 0.413314  0.422431 0.377177  -0.0449447  0.0378033   0.0110504   3   GLU   A OE2   
29   N  N     . TYR   A 5   ? 0.202413  0.236117 0.217945  -0.0611853  -0.0397597  0.0371091   4   TYR   A N     
30   C  CA    . TYR   A 5   ? 0.178724  0.220422 0.207461  -0.0458058  -0.0339042  0.0451495   4   TYR   A CA    
31   C  C     . TYR   A 5   ? 0.191185  0.191893 0.186829  -0.0411453  -0.032346   0.0386645   4   TYR   A C     
32   O  O     . TYR   A 5   ? 0.212131  0.205718 0.209707  -0.0178592  -0.0162988  0.0515544   4   TYR   A O     
33   C  CB    . TYR   A 5   ? 0.181065  0.219536 0.198508  -0.0364962  -0.0180197  0.0461218   4   TYR   A CB    
34   C  CG    . TYR   A 5   ? 0.175857  0.238213 0.192152  -0.046533   -0.022216   0.0523806   4   TYR   A CG    
35   C  CD1   . TYR   A 5   ? 0.204494  0.253002 0.211168  -0.0352375  -0.00656244 0.0497303   4   TYR   A CD1   
36   C  CD2   . TYR   A 5   ? 0.195958  0.248261 0.21794   -0.0388737  -0.0111456  0.0633446   4   TYR   A CD2   
37   C  CE1   . TYR   A 5   ? 0.198174  0.275227 0.23146   -0.026233   2.17e-06    0.0534418   4   TYR   A CE1   
38   C  CE2   . TYR   A 5   ? 0.206545  0.267027 0.224675  -0.0486095  -0.00729264 0.072824    4   TYR   A CE2   
39   C  CZ    . TYR   A 5   ? 0.201606  0.286801 0.231569  -0.0413746  -0.00324676 0.0580163   4   TYR   A CZ    
40   O  OH    . TYR   A 5   ? 0.21795   0.319981 0.241649  -0.0363344  0.00823574  0.0786654   4   TYR   A OH    
41   N  N     . LYS   A 6   ? 0.198894  0.199103 0.181456  -0.0478337  -0.042588   0.0408982   5   LYS   A N     
42   C  CA    . LYS   A 6   ? 0.231168  0.184296 0.169679  -0.0495088  -0.0290652  0.0164194   5   LYS   A CA    
43   C  C     . LYS   A 6   ? 0.190764  0.166389 0.14842   -0.0307357  -0.0159442  0.0103528   5   LYS   A C     
44   O  O     . LYS   A 6   ? 0.194046  0.174745 0.147879  -0.0182177  -0.0218878  0.00762035  5   LYS   A O     
45   C  CB    . LYS   A 6   ? 0.281941  0.221525 0.178594  -0.0589856  -0.0485915  0.0225253   5   LYS   A CB    
46   C  CG    . LYS   A 6   ? 0.364612  0.269462 0.237613  -0.0885158  -0.0669236  0.020983    5   LYS   A CG    
47   C  CD    . LYS   A 6   ? 0.422034  0.340288 0.28253   -0.0809506  -0.102714   0.0253216   5   LYS   A CD    
48   C  CE    . LYS   A 6   ? 0.50705   0.406216 0.325596  -0.0985367  -0.115662   0.00067227  5   LYS   A CE    
49   N  NZ    . LYS   A 6   ? 0.562199  0.446992 0.377353  -0.0997813  -0.120832   0.0190563   5   LYS   A NZ    
50   N  N     . LEU   A 7   ? 0.173687  0.149336 0.123421  -0.020769   0.00852192  0.00498271  6   LEU   A N     
51   C  CA    . LEU   A 7   ? 0.15297   0.14307  0.122825  -0.00909366 0.0142927   0.00271676  6   LEU   A CA    
52   C  C     . LEU   A 7   ? 0.16076   0.131672 0.136318  0.00393763  0.0293097   0.00451384  6   LEU   A C     
53   O  O     . LEU   A 7   ? 0.209964  0.129715 0.197195  0.00029009  0.0785926   -0.00124625 6   LEU   A O     
54   C  CB    . LEU   A 7   ? 0.148875  0.15121  0.110402  -0.0033121  0.0106242   -0.00348227 6   LEU   A CB    
55   C  CG    . LEU   A 7   ? 0.149442  0.177927 0.110415  -0.013031   0.00726017  -0.00496391 6   LEU   A CG    
56   C  CD1   . LEU   A 7   ? 0.157912  0.182298 0.123403  -0.0061873  0.00918943  0.00857644  6   LEU   A CD1   
57   C  CD2   . LEU   A 7   ? 0.140491  0.197914 0.121505  -0.0135879  0.00246329  -0.00080254 6   LEU   A CD2   
58   N  N     . VAL   A 8   ? 0.138108  0.131287 0.112783  -0.00160996 0.0158146   -0.00772217 7   VAL   A N     
59   C  CA    . VAL   A 8   ? 0.141126  0.123886 0.105169  -0.00248241 0.0117769   -0.00694761 7   VAL   A CA    
60   C  C     . VAL   A 8   ? 0.133171  0.116106 0.100316  -0.00373943 0.0185168   -0.0109684  7   VAL   A C     
61   O  O     . VAL   A 8   ? 0.133426  0.143043 0.136215  0.00662868  0.0074715   -0.0359281  7   VAL   A O     
62   C  CB    . VAL   A 8   ? 0.167355  0.128203 0.119039  -0.00620752 -0.00397499 0.00161997  7   VAL   A CB    
63   C  CG1   . VAL   A 8   ? 0.179743  0.15     0.11565   -0.0136021  -0.00520504 0.00138003  7   VAL   A CG1   
64   C  CG2   . VAL   A 8   ? 0.193874  0.160666 0.126078  -0.00944172 -0.0217726  -0.00193003 7   VAL   A CG2   
65   N  N     . VAL   A 9   ? 0.132702  0.110381 0.0890319 0.00074365  0.0226236   -0.0131295  8   VAL   A N     
66   C  CA    . VAL   A 9   ? 0.138785  0.105644 0.088479  -0.00270412 0.0224522   -0.00222233 8   VAL   A CA    
67   C  C     . VAL   A 9   ? 0.133291  0.107522 0.087486  0.00250802  0.02101     0.00233147  8   VAL   A C     
68   O  O     . VAL   A 9   ? 0.160279  0.120539 0.0906117 -0.00284394 0.037124    -0.00303433 8   VAL   A O     
69   C  CB    . VAL   A 9   ? 0.13561   0.125052 0.0975334 0.00574055  0.0247574   0.00395365  8   VAL   A CB    
70   C  CG1   . VAL   A 9   ? 0.132157  0.141403 0.106087  0.00757881  0.0233115   0.00658724  8   VAL   A CG1   
71   C  CG2   . VAL   A 9   ? 0.159919  0.128797 0.0871915 0.00547104  0.0180093   0.0101513   8   VAL   A CG2   
72   N  N     . VAL   A 10  ? 0.129546  0.111719 0.0891762 -0.0021264  0.0173916   -0.00069248 9   VAL   A N     
73   C  CA    . VAL   A 10  ? 0.125108  0.119688 0.0828454 0.00350715  0.0102169   0.00800816  9   VAL   A CA    
74   C  C     . VAL   A 10  ? 0.129009  0.114946 0.0889582 0.00169535  0.00917544  0.00912023  9   VAL   A C     
75   O  O     . VAL   A 10  ? 0.127889  0.132532 0.0914296 -0.00154006 0.019795    0.00120338  9   VAL   A O     
76   C  CB    . VAL   A 10  ? 0.143112  0.132395 0.105919  0.0026279   -0.00663325 0.0128218   9   VAL   A CB    
77   C  CG1   . VAL   A 10  ? 0.168307  0.151562 0.119482  -0.00505485 -0.0113621  0.00446265  9   VAL   A CG1   
78   C  CG2   . VAL   A 10  ? 0.154629  0.135047 0.131734  -0.0021632  -0.00347619 0.00778549  9   VAL   A CG2   
79   N  N     . GLY   A 11  ? 0.12508   0.123597 0.0923176 0.00531052  0.0150543   0.00841629  10  GLY   A N     
80   C  CA    . GLY   A 11  ? 0.125516  0.129948 0.103678  0.0056397   0.00856885  0.00278741  10  GLY   A CA    
81   C  C     . GLY   A 11  ? 0.128584  0.132559 0.114376  -0.00130477 0.0162054   0.0103112   10  GLY   A C     
82   O  O     . GLY   A 11  ? 0.140793  0.138186 0.116863  0.00491466  0.0313246   0.00408669  10  GLY   A O     
83   N  N     . ALA   A 12  ? 0.130255  0.146468 0.121412  -0.00082814 0.0183863   0.00616319  11  ALA   A N     
84   C  CA    . ALA   A 12  ? 0.138616  0.14527  0.13102   -0.00314266 0.0304332   0.0228404   11  ALA   A CA    
85   C  C     . ALA   A 12  ? 0.139153  0.151913 0.129941  0.00090151  0.0330697   0.0158588   11  ALA   A C     
86   O  O     . ALA   A 12  ? 0.143837  0.148111 0.128161  0.00554171  0.0391172   0.0190522   11  ALA   A O     
87   C  CB    . ALA   A 12  ? 0.143858  0.15085  0.152529  -0.00801033 0.0253002   0.0215703   11  ALA   A CB    
88   N  N     . ASP   A 13  ? 0.161393  0.166704 0.143255  0.00477557  0.0455009   0.0203572   12  ASP   A N     
89   C  CA    . ASP   A 13  ? 0.140334  0.178134 0.164201  0.0101952   0.0507957   0.0197879   12  ASP   A CA    
90   C  C     . ASP   A 13  ? 0.125044  0.176215 0.184038  0.0147506   0.039291    0.0194397   12  ASP   A C     
91   O  O     . ASP   A 13  ? 0.148494  0.185364 0.211539  0.0053982   0.032976    0.0170279   12  ASP   A O     
92   C  CB    . ASP   A 13  ? 0.170811  0.208417 0.180586  0.00145338  0.0673101   0.0275131   12  ASP   A CB    
93   C  CG    . ASP   A 13  ? 0.198812  0.226708 0.182044  -0.0111057  0.0709629   0.0213554   12  ASP   A CG    
94   O  OD1   . ASP   A 13  ? 0.200407  0.198768 0.160567  -0.00635072 0.063087    0.0124831   12  ASP   A OD1   
95   O  OD2   . ASP   A 13  ? 0.288938  0.308823 0.22324   -0.0429258  0.100101    0.048487    12  ASP   A OD2   
96   N  N     . GLY   A 14  ? 0.115089  0.169145 0.174293  0.0154611   0.0423316   0.0169866   13  GLY   A N     
97   C  CA    . GLY   A 14  ? 0.106783  0.188451 0.183835  0.023328    0.040268    0.0223668   13  GLY   A CA    
98   C  C     . GLY   A 14  ? 0.105373  0.182632 0.172745  0.0198491   0.023584    0.0171504   13  GLY   A C     
99   O  O     . GLY   A 14  ? 0.116039  0.230901 0.198464  0.0268978   0.0018239   0.0229703   13  GLY   A O     
100  N  N     . VAL   A 15  ? 0.108823  0.166014 0.15121   0.0136991   0.0179074   0.0101632   14  VAL   A N     
101  C  CA    . VAL   A 15  ? 0.109869  0.158475 0.135809  0.00931535  0.0115069   0.007236    14  VAL   A CA    
102  C  C     . VAL   A 15  ? 0.107079  0.151376 0.132195  0.0240053   0.00388016  0.0106051   14  VAL   A C     
103  O  O     . VAL   A 15  ? 0.138034  0.157548 0.135287  0.00895912  0.00665451  0.00125489  14  VAL   A O     
104  C  CB    . VAL   A 15  ? 0.115736  0.144154 0.125754  0.00803536  0.0144894   0.00344819  14  VAL   A CB    
105  C  CG1   . VAL   A 15  ? 0.130164  0.150537 0.150141  -0.00668975 0.0111509   0.00637542  14  VAL   A CG1   
106  C  CG2   . VAL   A 15  ? 0.115851  0.137989 0.125072  0.014455    0.0123451   0.00551127  14  VAL   A CG2   
107  N  N     . GLY   A 16  ? 0.134369  0.154464 0.120662  0.0154032   0.0215764   0.012215    15  GLY   A N     
108  C  CA    . GLY   A 16  ? 0.13998   0.148264 0.128957  0.0254616   0.0170849   0.0151832   15  GLY   A CA    
109  C  C     . GLY   A 16  ? 0.145419  0.132921 0.11973   0.0210761   0.0222219   0.0110511   15  GLY   A C     
110  O  O     . GLY   A 16  ? 0.158382  0.134025 0.128826  0.00994876  0.0255496   0.0106698   15  GLY   A O     
111  N  N     . LYS   A 17  ? 0.137242  0.131329 0.127707  0.0196088   0.0274933   0.0210306   16  LYS   A N     
112  C  CA    . LYS   A 17  ? 0.1378    0.128665 0.113711  0.0137897   0.0313435   0.0184169   16  LYS   A CA    
113  C  C     . LYS   A 17  ? 0.152993  0.134903 0.096156  0.0249658   0.0245477   0.0235027   16  LYS   A C     
114  O  O     . LYS   A 17  ? 0.153294  0.144861 0.108476  0.0151715   0.0290671   0.0271291   16  LYS   A O     
115  C  CB    . LYS   A 17  ? 0.123502  0.127818 0.109686  0.01584     0.029145    0.007947    16  LYS   A CB    
116  C  CG    . LYS   A 17  ? 0.117306  0.127627 0.113162  0.00538978  0.0271639   0.00892113  16  LYS   A CG    
117  C  CD    . LYS   A 17  ? 0.128963  0.119436 0.123905  0.0166873   0.0136709   0.0102818   16  LYS   A CD    
118  C  CE    . LYS   A 17  ? 0.143969  0.12675  0.123866  0.0134898   0.0204652   0.00843649  16  LYS   A CE    
119  N  NZ    . LYS   A 17  ? 0.136927  0.140885 0.121168  0.0193793   0.0253581   0.00834191  16  LYS   A NZ    
120  N  N     . SER   A 18  ? 0.155553  0.138182 0.112     0.0266001   0.0344696   0.0253641   17  SER   A N     
121  C  CA    . SER   A 18  ? 0.182935  0.132706 0.127896  0.0333333   0.0337512   0.023721    17  SER   A CA    
122  C  C     . SER   A 18  ? 0.178588  0.136892 0.137817  0.0395498   0.0338009   0.0305698   17  SER   A C     
123  O  O     . SER   A 18  ? 0.201942  0.145167 0.149691  0.0316216   0.0331208   0.0368562   17  SER   A O     
124  C  CB    . SER   A 18  ? 0.193245  0.136401 0.144071  0.0348534   0.0445996   0.0257104   17  SER   A CB    
125  O  OG    . SER   A 18  ? 0.194256  0.139603 0.136666  0.0346199   0.0452254   0.020585    17  SER   A OG    
126  N  N     . ALA   A 19  ? 0.174176  0.146223 0.140729  0.0397631   0.0276385   0.0356319   18  ALA   A N     
127  C  CA    . ALA   A 19  ? 0.179352  0.152176 0.140058  0.0408897   0.0297377   0.0378384   18  ALA   A CA    
128  C  C     . ALA   A 19  ? 0.171291  0.138174 0.128115  0.036395    0.0229235   0.0260459   18  ALA   A C     
129  O  O     . ALA   A 19  ? 0.172002  0.144312 0.144845  0.0366029   0.0274223   0.0329786   18  ALA   A O     
130  C  CB    . ALA   A 19  ? 0.174127  0.17818  0.158932  0.0374546   0.0190766   0.0460819   18  ALA   A CB    
131  N  N     . LEU   A 20  ? 0.156494  0.133638 0.123054  0.0275726   0.0152451   0.026102    19  LEU   A N     
132  C  CA    . LEU   A 20  ? 0.157115  0.133645 0.0993037 0.0194001   0.0112907   0.0164989   19  LEU   A CA    
133  C  C     . LEU   A 20  ? 0.168601  0.120981 0.101236  0.0204306   0.0192336   0.00965147  19  LEU   A C     
134  O  O     . LEU   A 20  ? 0.183378  0.12547  0.102673  0.0149539   0.0177423   0.0143462   19  LEU   A O     
135  C  CB    . LEU   A 20  ? 0.148322  0.135578 0.109972  0.0173878   0.0103521   0.0055279   19  LEU   A CB    
136  C  CG    . LEU   A 20  ? 0.156025  0.153936 0.125448  0.0115231   0.00384278  -0.00070973 19  LEU   A CG    
137  C  CD1   . LEU   A 20  ? 0.165071  0.143731 0.139003  0.00944136  0.00878177  -0.00920253 19  LEU   A CD1   
138  C  CD2   . LEU   A 20  ? 0.17034   0.185237 0.130686  -0.00336034 0.00723665  -0.00019337 19  LEU   A CD2   
139  N  N     . THR   A 21  ? 0.176209  0.138641 0.104449  0.0118484   0.0176156   0.00421039  20  THR   A N     
140  C  CA    . THR   A 21  ? 0.190554  0.138561 0.104039  0.0013238   0.0199991   0.00516442  20  THR   A CA    
141  C  C     . THR   A 21  ? 0.2162    0.131857 0.113595  0.00487908  0.0272734   0.00743639  20  THR   A C     
142  O  O     . THR   A 21  ? 0.235564  0.136136 0.122217  -0.00647266 0.0435242   0.0055872   20  THR   A O     
143  C  CB    . THR   A 21  ? 0.220382  0.146086 0.102751  -0.00247109 0.00371169  0.00630736  20  THR   A CB    
144  O  OG1   . THR   A 21  ? 0.227153  0.143007 0.121534  -0.00324589 -0.0155525  0.0270686   20  THR   A OG1   
145  C  CG2   . THR   A 21  ? 0.252634  0.161088 0.0986727 -0.0160918  -0.00122868 0.00570128  20  THR   A CG2   
146  N  N     . ILE   A 22  ? 0.229149  0.132162 0.133552  0.0207692   0.0385621   0.0145123   21  ILE   A N     
147  C  CA    . ILE   A 22  ? 0.268429  0.144921 0.170377  0.0356766   0.0441694   0.016116    21  ILE   A CA    
148  C  C     . ILE   A 22  ? 0.251428  0.143762 0.172238  0.0325496   0.0416491   0.023369    21  ILE   A C     
149  O  O     . ILE   A 22  ? 0.276608  0.141635 0.208191  0.0277791   0.0538815   0.0293668   21  ILE   A O     
150  C  CB    . ILE   A 22  ? 0.287219  0.179655 0.184737  0.0526349   0.0562481   0.0120716   21  ILE   A CB    
151  C  CG1   . ILE   A 22  ? 0.325292  0.207555 0.182026  0.0509287   0.0400047   -0.00472465 21  ILE   A CG1   
152  C  CG2   . ILE   A 22  ? 0.302537  0.207878 0.219569  0.0679443   0.0675301   0.0283815   21  ILE   A CG2   
153  C  CD1   . ILE   A 22  ? 0.372246  0.267614 0.218295  0.0184944   0.0295325   -0.0192489  21  ILE   A CD1   
154  N  N     . GLN   A 23  ? 0.224372  0.149108 0.147699  0.0322618   0.0297693   0.0317879   22  GLN   A N     
155  C  CA    . GLN   A 23  ? 0.231078  0.16828  0.151594  0.0257526   0.0181762   0.0464897   22  GLN   A CA    
156  C  C     . GLN   A 23  ? 0.241616  0.169939 0.138622  0.013076    0.0198243   0.0397102   22  GLN   A C     
157  O  O     . GLN   A 23  ? 0.264963  0.202884 0.191863  0.00772593  0.0207794   0.0785087   22  GLN   A O     
158  C  CB    . GLN   A 23  ? 0.218412  0.189247 0.15647   0.0200944   0.0122605   0.0358116   22  GLN   A CB    
159  C  CG    . GLN   A 23  ? 0.218748  0.207519 0.167854  0.0241367   0.00192313  0.0481905   22  GLN   A CG    
160  C  CD    . GLN   A 23  ? 0.252659  0.224533 0.188426  0.0306525   -0.00774196 0.0645482   22  GLN   A CD    
161  O  OE1   . GLN   A 23  ? 0.277047  0.246198 0.269328  0.00963851  -0.0533819  0.0883732   22  GLN   A OE1   
162  N  NE2   . GLN   A 23  ? 0.246025  0.252234 0.182976  0.0342784   -0.00602177 0.0783839   22  GLN   A NE2   
163  N  N     . LEU   A 24  ? 0.236652  0.156859 0.10585   0.00329822  0.0179481   0.0185613   23  LEU   A N     
164  C  CA    . LEU   A 24  ? 0.249143  0.177639 0.112183  -0.0098317  0.0229505   0.0190307   23  LEU   A CA    
165  C  C     . LEU   A 24  ? 0.28576   0.168838 0.139746  -0.0281096  0.0326158   0.0215989   23  LEU   A C     
166  O  O     . LEU   A 24  ? 0.308316  0.188004 0.194834  -0.0455663  0.032792    0.042847    23  LEU   A O     
167  C  CB    . LEU   A 24  ? 0.233594  0.193031 0.134201  0.00156224  0.0225506   -0.00330034 23  LEU   A CB    
168  C  CG    . LEU   A 24  ? 0.24927   0.258438 0.189652  -0.00824622 0.0263155   0.00383526  23  LEU   A CG    
169  C  CD1   . LEU   A 24  ? 0.229392  0.286862 0.194158  0.0157943   0.0490629   0.0190078   23  LEU   A CD1   
170  C  CD2   . LEU   A 24  ? 0.249919  0.264255 0.24024   -0.00203231 0.0194221   -0.00507525 23  LEU   A CD2   
171  N  N     . ILE   A 25  ? 0.311168  0.158017 0.157671  -0.0390061  0.047575    -0.00406139 24  ILE   A N     
172  C  CA    . ILE   A 25  ? 0.381291  0.16266  0.20633   -0.0602508  0.0429929   -0.0195503  24  ILE   A CA    
173  C  C     . ILE   A 25  ? 0.404662  0.168496 0.303767  -0.0372196  0.0699913   -0.00057109 24  ILE   A C     
174  O  O     . ILE   A 25  ? 0.470138  0.181538 0.399502  -0.0483193  0.0709447   -0.0107556  24  ILE   A O     
175  C  CB    . ILE   A 25  ? 0.428078  0.190618 0.193973  -0.0827313  0.0544243   -0.0505851  24  ILE   A CB    
176  C  CG1   . ILE   A 25  ? 0.454514  0.201918 0.148255  -0.0962829  0.0317985   -0.0542614  24  ILE   A CG1   
177  C  CG2   . ILE   A 25  ? 0.489497  0.20908  0.270092  -0.0710979  0.0602054   -0.0909961  24  ILE   A CG2   
178  C  CD1   . ILE   A 25  ? 0.467771  0.216369 0.15053   -0.0999983  0.0295231   -0.0324649  24  ILE   A CD1   
179  N  N     . GLN   A 26  ? 0.382525  0.148522 0.391779  -0.0013813  0.0925654   0.00322242  25  GLN   A N     
180  C  CA    . GLN   A 26  ? 0.4131    0.146267 0.501703  0.00900279  0.110524    0.0280812   25  GLN   A CA    
181  C  C     . GLN   A 26  ? 0.409819  0.171876 0.583157  0.00828956  0.087172    0.123927    25  GLN   A C     
182  O  O     . GLN   A 26  ? 0.461452  0.162368 0.743557  0.0567789   0.070654    0.156374    25  GLN   A O     
183  C  CB    . GLN   A 26  ? 0.42463   0.213342 0.541072  0.00600723  0.13244     0.0468281   25  GLN   A CB    
184  C  CG    . GLN   A 26  ? 0.457327  0.25338  0.554493  0.0236249   0.126609    -0.0117364  25  GLN   A CG    
185  C  CD    . GLN   A 26  ? 0.513032  0.331482 0.587314  0.0647322   0.129197    -0.0312187  25  GLN   A CD    
186  O  OE1   . GLN   A 26  ? 0.586385  0.427217 0.62522   0.123851    0.127829    -0.0548719  25  GLN   A OE1   
187  N  NE2   . GLN   A 26  ? 0.502068  0.274873 0.687545  0.141912    0.181569    -0.0898873  25  GLN   A NE2   
188  N  N     . ASN   A 27  ? 0.362218  0.17796  0.572593  0.0135369   0.0884211   0.159032    26  ASN   A N     
189  C  CA    . ASN   A 27  ? 0.365731  0.238885 0.586862  0.0043425   0.0738572   0.207283    26  ASN   A CA    
190  C  C     . ASN   A 27  ? 0.36148   0.266071 0.561043  0.00935116  0.0544053   0.225097    26  ASN   A C     
191  O  O     . ASN   A 27  ? 0.364517  0.43576  0.63914   0.0334027   0.0141785   0.276038    26  ASN   A O     
192  C  CB    . ASN   A 27  ? 0.415891  0.273153 0.621984  -0.00436724 0.0755316   0.257047    26  ASN   A CB    
193  C  CG    . ASN   A 27  ? 0.411781  0.295811 0.598474  -0.0141806  0.106754    0.234256    26  ASN   A CG    
194  O  OD1   . ASN   A 27  ? 0.393011  0.321466 0.566208  0.00457325  0.147014    0.207657    26  ASN   A OD1   
195  N  ND2   . ASN   A 27  ? 0.481602  0.340928 0.651662  -0.0062052  0.119965    0.174635    26  ASN   A ND2   
196  N  N     . HIS   A 28  ? 0.343518  0.233261 0.50649   0.0369225   0.0399059   0.209024    27  HIS   A N     
197  C  CA    . HIS   A 28  ? 0.347266  0.244812 0.462857  0.0487257   0.0124407   0.174785    27  HIS   A CA    
198  C  C     . HIS   A 28  ? 0.298344  0.218492 0.386669  0.052924    0.00193862  0.123992    27  HIS   A C     
199  O  O     . HIS   A 28  ? 0.276303  0.194788 0.34137   0.0632351   0.0298907   0.0945744   27  HIS   A O     
200  C  CB    . HIS   A 28  ? 0.390132  0.252895 0.553978  0.0695905   0.0151687   0.163393    27  HIS   A CB    
201  C  CG    . HIS   A 28  ? 0.459119  0.251035 0.590712  0.0580313   0.0548441   0.116712    27  HIS   A CG    
202  N  ND1   . HIS   A 28  ? 0.561848  0.389603 0.654328  0.011052    0.0347796   0.0584214   27  HIS   A ND1   
203  C  CD2   . HIS   A 28  ? 0.528894  0.332707 0.616387  0.0313484   0.0749852   0.0761261   27  HIS   A CD2   
204  C  CE1   . HIS   A 28  ? 0.577706  0.371117 0.631475  0.00160705  0.0910697   0.072592    27  HIS   A CE1   
205  N  NE2   . HIS   A 28  ? 0.513679  0.321602 0.652265  0.0313854   0.073254    0.0296888   27  HIS   A NE2   
206  N  N     . PHE   A 29  ? 0.286626  0.235749 0.318512  0.0673151   -0.00199784 0.10758     28  PHE   A N     
207  C  CA    . PHE   A 29  ? 0.248853  0.223001 0.275632  0.071079    0.00766632  0.0649186   28  PHE   A CA    
208  C  C     . PHE   A 29  ? 0.279656  0.254042 0.342292  0.0869145   0.0338279   0.0330188   28  PHE   A C     
209  O  O     . PHE   A 29  ? 0.30389   0.280384 0.381268  0.114826    0.053018    0.0261355   28  PHE   A O     
210  C  CB    . PHE   A 29  ? 0.25074   0.250015 0.252474  0.0782153   0.0135331   0.0572747   28  PHE   A CB    
211  C  CG    . PHE   A 29  ? 0.220933  0.249241 0.211256  0.0759647   0.0126056   0.0396686   28  PHE   A CG    
212  C  CD1   . PHE   A 29  ? 0.207623  0.233725 0.17794   0.0645229   0.0107682   0.0230308   28  PHE   A CD1   
213  C  CD2   . PHE   A 29  ? 0.217498  0.285724 0.248378  0.0915989   0.00751041  0.0473908   28  PHE   A CD2   
214  C  CE1   . PHE   A 29  ? 0.205161  0.24077  0.18196   0.0575914   0.0104406   0.0126862   28  PHE   A CE1   
215  C  CE2   . PHE   A 29  ? 0.201462  0.30775  0.248535  0.0675538   0.00928394  0.0346015   28  PHE   A CE2   
216  C  CZ    . PHE   A 29  ? 0.199854  0.275974 0.215994  0.055754    0.0148918   0.0271715   28  PHE   A CZ    
217  N  N     . VAL   A 30  ? 0.237781  0.251954 0.339636  0.0899287   0.0151344   0.00452856  29  VAL   A N     
218  C  CA    . VAL   A 30  ? 0.290693  0.304968 0.40177   0.0811956   0.0463863   -0.00553645 29  VAL   A CA    
219  C  C     . VAL   A 30  ? 0.28456   0.326379 0.415611  0.067434    0.0425509   0.00721518  29  VAL   A C     
220  O  O     . VAL   A 30  ? 0.26966   0.307075 0.347856  0.0668293   0.0220018   -0.00028923 29  VAL   A O     
221  C  CB    . VAL   A 30  ? 0.317254  0.327546 0.433272  0.0530484   0.0398734   -0.0161916  29  VAL   A CB    
222  C  CG1   . VAL   A 30  ? 0.357553  0.340781 0.493757  0.0534213   0.0336704   -0.0131934  29  VAL   A CG1   
223  C  CG2   . VAL   A 30  ? 0.376082  0.366675 0.456073  0.0334079   0.0483262   -0.0330788  29  VAL   A CG2   
224  N  N     . ASP   A 31  ? 0.29423   0.397273 0.501163  0.0781283   -0.0156437  0.0417446   30  ASP   A N     
225  C  CA    . ASP   A 31  ? 0.320781  0.47153  0.576351  0.0519616   0.00045719  0.0737799   30  ASP   A CA    
226  C  C     . ASP   A 31  ? 0.315678  0.504715 0.603234  0.0736678   0.00531325  0.106614    30  ASP   A C     
227  O  O     . ASP   A 31  ? 0.27413   0.555061 0.659247  0.0643637   0.0264229   0.059161    30  ASP   A O     
228  C  CB    . ASP   A 31  ? 0.378705  0.528175 0.626581  0.03717     -0.0586988  0.101964    30  ASP   A CB    
229  N  N     . GLU   A 32  ? 0.293376  0.525022 0.638064  0.0806758   0.0337327   0.0924131   31  GLU   A N     
230  C  CA    . GLU   A 32  ? 0.291901  0.572442 0.604324  0.0859117   0.0230961   0.0832863   31  GLU   A CA    
231  C  C     . GLU   A 32  ? 0.23101   0.565021 0.564831  0.0934264   0.0760964   0.0604056   31  GLU   A C     
232  O  O     . GLU   A 32  ? 0.365468  0.605075 0.620902  0.105995    0.109906    0.0209136   31  GLU   A O     
233  C  CB    . GLU   A 32  ? 0.308944  0.61475  0.667814  0.13984     0.0483426   0.0902858   31  GLU   A CB    
234  N  N     . TYR   A 33  ? 0.213844  0.486274 0.440489  0.085595    0.0528698   0.0750371   32  TYR   A N     
235  C  CA    . TYR   A 33  ? 0.255651  0.415058 0.405509  0.110004    0.0826408   0.0532578   32  TYR   A CA    
236  C  C     . TYR   A 33  ? 0.219651  0.328572 0.353657  0.0994761   0.0772913   0.0133268   32  TYR   A C     
237  O  O     . TYR   A 33  ? 0.25543   0.343887 0.342327  0.112262    0.0843038   0.00813814  32  TYR   A O     
238  C  CB    . TYR   A 33  ? 0.249666  0.357311 0.376075  0.0899104   0.0495198   0.0720787   32  TYR   A CB    
239  C  CG    . TYR   A 33  ? 0.318342  0.329327 0.387345  0.0928027   0.0410004   0.0507258   32  TYR   A CG    
240  C  CD1   . TYR   A 33  ? 0.334617  0.341422 0.420812  0.121578    0.0650823   0.01014     32  TYR   A CD1   
241  C  CD2   . TYR   A 33  ? 0.252491  0.311444 0.330223  0.0903592   0.0771475   0.024959    32  TYR   A CD2   
242  C  CE1   . TYR   A 33  ? 0.387919  0.400546 0.431182  0.0937016   0.0438815   0.0255552   32  TYR   A CE1   
243  C  CE2   . TYR   A 33  ? 0.376268  0.363194 0.291169  0.0832768   0.0341699   0.0267327   32  TYR   A CE2   
244  C  CZ    . TYR   A 33  ? 0.333487  0.399233 0.381463  0.114682    0.0734715   -0.0146973  32  TYR   A CZ    
245  O  OH    . TYR   A 33  ? 0.473798  0.446061 0.480205  0.0703218   0.0795883   -0.0624276  32  TYR   A OH    
246  N  N     . ASP   A 34  ? 0.243056  0.286008 0.370839  0.0894053   0.110887    -0.00388418 33  ASP   A N     
247  C  CA    . ASP   A 34  ? 0.254266  0.277544 0.35864   0.0855638   0.119447    -0.0226051  33  ASP   A CA    
248  C  C     . ASP   A 34  ? 0.235581  0.256128 0.32238   0.0586267   0.109614    -0.0006943  33  ASP   A C     
249  O  O     . ASP   A 34  ? 0.233204  0.236294 0.281102  0.0468247   0.0991286   -0.00573587 33  ASP   A O     
250  C  CB    . ASP   A 34  ? 0.309762  0.278184 0.381407  0.0940609   0.123899    -0.0463687  33  ASP   A CB    
251  C  CG    . ASP   A 34  ? 0.334275  0.300585 0.387533  0.0774906   0.139223    -0.060769   33  ASP   A CG    
252  O  OD1   . ASP   A 34  ? 0.330141  0.305807 0.405827  0.0813295   0.142814    -0.0600624  33  ASP   A OD1   
253  O  OD2   . ASP   A 34  ? 0.417803  0.367063 0.410178  0.0869901   0.164146    -0.0949871  33  ASP   A OD2   
254  N  N     . PRO   A 35  ? 0.235707  0.26595  0.308275  0.0464375   0.108903    -0.0121491  34  PRO   A N     
255  C  CA    . PRO   A 35  ? 0.217381  0.254531 0.275694  0.0342009   0.120415    -0.00937008 34  PRO   A CA    
256  C  C     . PRO   A 35  ? 0.234747  0.230091 0.23502   0.0217052   0.125818    -0.00366588 34  PRO   A C     
257  O  O     . PRO   A 35  ? 0.241072  0.218561 0.226809  0.026667    0.119956    0.00242077  34  PRO   A O     
258  C  CB    . PRO   A 35  ? 0.255792  0.28994  0.332554  0.00776935  0.0960998   -0.00851445 34  PRO   A CB    
259  C  CG    . PRO   A 35  ? 0.258684  0.324234 0.375784  0.0236008   0.0945435   -0.00723279 34  PRO   A CG    
260  C  CD    . PRO   A 35  ? 0.240671  0.309228 0.355777  0.0398524   0.101207    -0.00789147 34  PRO   A CD    
261  N  N     . THR   A 36  ? 0.254158  0.226478 0.228889  0.0225693   0.139604    -0.00205536 35  THR   A N     
262  C  CA    . THR   A 36  ? 0.279242  0.246457 0.213136  0.0293872   0.137446    0.0117052   35  THR   A CA    
263  C  C     . THR   A 36  ? 0.285427  0.230542 0.177893  0.0343939   0.122646    -0.00175101 35  THR   A C     
264  O  O     . THR   A 36  ? 0.324165  0.288279 0.185327  0.0401863   0.102037    -0.00593529 35  THR   A O     
265  C  CB    . THR   A 36  ? 0.328165  0.299887 0.241591  0.0334923   0.169367    0.0180661   35  THR   A CB    
266  O  OG1   . THR   A 36  ? 0.36336   0.328888 0.276446  0.0637551   0.184452    -0.00924468 35  THR   A OG1   
267  C  CG2   . THR   A 36  ? 0.324486  0.334026 0.281483  0.0368068   0.174949    0.0273134   35  THR   A CG2   
268  N  N     . ILE   A 37  ? 0.275783  0.195965 0.172153  0.0425394   0.105484    -0.00911871 36  ILE   A N     
269  C  CA    . ILE   A 37  ? 0.297436  0.196744 0.180053  0.0350271   0.0954618   -0.0196384  36  ILE   A CA    
270  C  C     . ILE   A 37  ? 0.270457  0.165697 0.148835  0.0240254   0.0857607   -0.0153582  36  ILE   A C     
271  O  O     . ILE   A 37  ? 0.259515  0.17566  0.149452  0.0186438   0.0810554   -0.00673927 36  ILE   A O     
272  C  CB    . ILE   A 37  ? 0.320648  0.19798  0.226477  0.041909    0.0900947   -0.0211867  36  ILE   A CB    
273  C  CG1   . ILE   A 37  ? 0.354406  0.233362 0.274587  0.0567586   0.109623    -0.0354032  36  ILE   A CG1   
274  C  CG2   . ILE   A 37  ? 0.340937  0.192523 0.229448  0.0353034   0.0713683   -0.0227261  36  ILE   A CG2   
275  C  CD1   . ILE   A 37  ? 0.402383  0.302728 0.306575  0.0512459   0.102259    -0.0365874  36  ILE   A CD1   
276  N  N     . GLU   A 38  ? 0.283075  0.164414 0.138189  0.0209679   0.0819723   -0.0247848  37  GLU   A N     
277  C  CA    . GLU   A 38  ? 0.265605  0.14527  0.118789  0.0131637   0.0661371   -0.0176158  37  GLU   A CA    
278  C  C     . GLU   A 38  ? 0.271888  0.14329  0.115916  0.0118829   0.0606922   -0.0190195  37  GLU   A C     
279  O  O     . GLU   A 38  ? 0.310217  0.157054 0.115658  0.00499381  0.0677731   -0.0245206  37  GLU   A O     
280  C  CB    . GLU   A 38  ? 0.281111  0.15546  0.122372  0.00602811  0.0583812   -0.00812947 37  GLU   A CB    
281  C  CG    . GLU   A 38  ? 0.283733  0.151206 0.127447  6.1e-06     0.0410112   -0.0136901  37  GLU   A CG    
282  C  CD    . GLU   A 38  ? 0.317365  0.169174 0.144703  -0.0103185  0.00890942  0.0125535   37  GLU   A CD    
283  O  OE1   . GLU   A 38  ? 0.342566  0.232739 0.241383  -0.0170848  -0.0248175  0.0323981   37  GLU   A OE1   
284  O  OE2   . GLU   A 38  ? 0.324246  0.169646 0.153166  -0.0108547  0.00425828  0.00360077  37  GLU   A OE2   
285  N  N     . ASP   A 39  ? 0.250723  0.126315 0.111695  0.0153286   0.0510893   -0.0163157  38  ASP   A N     
286  C  CA    . ASP   A 39  ? 0.261321  0.127318 0.117738  0.0154413   0.0493772   -0.0180669  38  ASP   A CA    
287  C  C     . ASP   A 39  ? 0.246723  0.12962  0.107072  0.0154622   0.0382295   -0.0172414  38  ASP   A C     
288  O  O     . ASP   A 39  ? 0.242725  0.141173 0.115351  0.00688143  0.0414347   -0.0260677  38  ASP   A O     
289  C  CB    . ASP   A 39  ? 0.274354  0.130185 0.14201   0.0258273   0.0578994   -0.0153252  38  ASP   A CB    
290  C  CG    . ASP   A 39  ? 0.311596  0.13298  0.167748  0.0231489   0.0614764   -0.0246745  38  ASP   A CG    
291  O  OD1   . ASP   A 39  ? 0.326546  0.134837 0.154049  0.00600599  0.0570221   -0.0276331  38  ASP   A OD1   
292  O  OD2   . ASP   A 39  ? 0.341093  0.150008 0.239062  0.0363659   0.0542355   -0.00496603 38  ASP   A OD2   
293  N  N     A SER   A 40  ? 0.260276  0.134528 0.106012  0.00747661  0.0394167   -0.0232723  39  SER   A N     
294  N  N     B SER   A 40  ? 0.264066  0.137965 0.110367  0.00607961  0.0412895   -0.0225414  39  SER   A N     
295  C  CA    A SER   A 40  ? 0.247356  0.132906 0.104574  0.00351513  0.0314379   -0.021645   39  SER   A CA    
296  C  CA    B SER   A 40  ? 0.256563  0.140349 0.112058  0.00102791  0.0360276   -0.0211758  39  SER   A CA    
297  C  C     A SER   A 40  ? 0.26571   0.131322 0.11594   0.00023186  0.040711    -0.0234103  39  SER   A C     
298  C  C     B SER   A 40  ? 0.267778  0.135147 0.118535  -0.00019202 0.0440543   -0.0232191  39  SER   A C     
299  O  O     A SER   A 40  ? 0.293572  0.128239 0.123815  0.00404791  0.0480355   -0.0272816  39  SER   A O     
300  O  O     B SER   A 40  ? 0.294284  0.130153 0.125902  0.00336923  0.0513981   -0.0266149  39  SER   A O     
301  C  CB    A SER   A 40  ? 0.252419  0.147882 0.102804  -0.00843638 0.0157119   -0.0200067  39  SER   A CB    
302  C  CB    B SER   A 40  ? 0.271339  0.165329 0.118941  -0.0103084  0.0204172   -0.0213987  39  SER   A CB    
303  O  OG    A SER   A 40  ? 0.293353  0.167608 0.125383  -0.0145357  0.00798144  -0.0334391  39  SER   A OG    
304  O  OG    B SER   A 40  ? 0.276114  0.190614 0.140976  -0.00683718 0.0106645   -0.00443065 39  SER   A OG    
305  N  N     . TYR   A 41  ? 0.254149  0.128154 0.120453  -0.00192871 0.045549    -0.0201602  40  TYR   A N     
306  C  CA    . TYR   A 41  ? 0.282302  0.124256 0.139446  -0.00764102 0.0578577   -0.0240361  40  TYR   A CA    
307  C  C     . TYR   A 41  ? 0.300455  0.134082 0.156943  -0.0152596  0.0801339   -0.0284789  40  TYR   A C     
308  O  O     . TYR   A 41  ? 0.298249  0.154352 0.195404  -0.0113081  0.116706    -0.0280749  40  TYR   A O     
309  C  CB    . TYR   A 41  ? 0.285868  0.135073 0.139238  -0.00428625 0.0482812   -0.0208088  40  TYR   A CB    
310  C  CG    . TYR   A 41  ? 0.289749  0.170762 0.139312  -0.00784308 0.0359288   -0.0293672  40  TYR   A CG    
311  C  CD1   . TYR   A 41  ? 0.322999  0.177945 0.167363  -0.00747427 0.0386801   -0.0431896  40  TYR   A CD1   
312  C  CD2   . TYR   A 41  ? 0.279399  0.183843 0.132242  -0.0114325  0.0271359   -0.0204567  40  TYR   A CD2   
313  C  CE1   . TYR   A 41  ? 0.333106  0.204028 0.193773  -0.00433032 0.0373706   -0.0477311  40  TYR   A CE1   
314  C  CE2   . TYR   A 41  ? 0.281843  0.190867 0.155502  -0.0125125  0.0350917   -0.0279447  40  TYR   A CE2   
315  C  CZ    . TYR   A 41  ? 0.303279  0.204005 0.178829  0.00191834  0.0437392   -0.0289846  40  TYR   A CZ    
316  O  OH    . TYR   A 41  ? 0.303982  0.233587 0.255625  0.00926602  0.0461874   -0.0327595  40  TYR   A OH    
317  N  N     . ARG   A 42  ? 0.355345  0.138608 0.179223  -0.0250205  0.10164     -0.0270503  41  ARG   A N     
318  C  CA    . ARG   A 42  ? 0.381681  0.168734 0.2131    -0.0284006  0.125412    -0.0181301  41  ARG   A CA    
319  C  C     . ARG   A 42  ? 0.427981  0.164336 0.24708   0.0308943   0.151964    0.0138981   41  ARG   A C     
320  O  O     . ARG   A 42  ? 0.523631  0.191745 0.311047  0.0846158   0.221921    0.0650177   41  ARG   A O     
321  C  CB    . ARG   A 42  ? 0.401818  0.275438 0.255309  -0.0779297  0.131282    -0.0423718  41  ARG   A CB    
322  C  CG    . ARG   A 42  ? 0.374988  0.351977 0.322819  -0.099227   0.138594    -0.0535277  41  ARG   A CG    
323  C  CD    . ARG   A 42  ? 0.366384  0.393384 0.408981  -0.086172   0.114682    -0.0495289  41  ARG   A CD    
324  N  NE    . ARG   A 42  ? 0.412874  0.304485 0.438034  -0.0703744  0.126206    -0.0745102  41  ARG   A NE    
325  C  CZ    . ARG   A 42  ? 0.4099    0.34099  0.506712  -0.0582721  0.0766611   -0.103587   41  ARG   A CZ    
326  N  NH1   . ARG   A 42  ? 0.47073   0.350501 0.550746  -0.0424441  0.0430076   -0.117062   41  ARG   A NH1   
327  N  NH2   . ARG   A 42  ? 0.384276  0.377951 0.527133  -0.0606155  0.0534119   -0.0815402  41  ARG   A NH2   
328  N  N     . LYS   A 43  ? 0.435163  0.184411 0.22361   0.0641056   0.152669    0.0589392   42  LYS   A N     
329  C  CA    . LYS   A 43  ? 0.449607  0.241462 0.232576  0.0677708   0.159004    0.0769557   42  LYS   A CA    
330  C  C     . LYS   A 43  ? 0.440188  0.21365  0.221982  0.0630482   0.137559    0.0770213   42  LYS   A C     
331  O  O     . LYS   A 43  ? 0.398131  0.204434 0.193365  0.0545834   0.115022    0.0720145   42  LYS   A O     
332  C  CB    . LYS   A 43  ? 0.423022  0.312282 0.231196  0.0697334   0.169936    0.084021    42  LYS   A CB    
333  C  CG    . LYS   A 43  ? 0.478158  0.395102 0.259441  0.0562117   0.153155    0.112112    42  LYS   A CG    
334  C  CD    . LYS   A 43  ? 0.459685  0.446487 0.305475  0.0472319   0.133908    0.0951921   42  LYS   A CD    
335  C  CE    . LYS   A 43  ? 0.490632  0.497088 0.355004  0.062516    0.104663    0.123175    42  LYS   A CE    
336  N  NZ    . LYS   A 43  ? 0.56458   0.524959 0.398061  0.0864249   0.0853463   0.113603    42  LYS   A NZ    
337  N  N     . GLN   A 44  ? 0.479367  0.185591 0.222648  0.0522185   0.121902    0.0701534   43  GLN   A N     
338  C  CA    . GLN   A 44  ? 0.460448  0.215998 0.205322  0.0156578   0.0908472   0.0631439   43  GLN   A CA    
339  C  C     . GLN   A 44  ? 0.422146  0.233137 0.194105  0.0155576   0.0826969   0.0652118   43  GLN   A C     
340  O  O     . GLN   A 44  ? 0.426536  0.24499  0.210133  0.0394164   0.0936156   0.0745949   43  GLN   A O     
341  C  CB    . GLN   A 44  ? 0.529531  0.207502 0.232882  -0.00190601 0.0854774   0.0495759   43  GLN   A CB    
342  C  CG    . GLN   A 44  ? 0.542162  0.228789 0.253392  -0.0290988  0.0791125   0.0617389   43  GLN   A CG    
343  C  CD    . GLN   A 44  ? 0.618058  0.252133 0.324988  -0.0472757  0.0654099   0.0417757   43  GLN   A CD    
344  O  OE1   . GLN   A 44  ? 0.715232  0.262262 0.373296  -0.0495715  0.0225712   -0.0057789  43  GLN   A OE1   
345  N  NE2   . GLN   A 44  ? 0.630602  0.277181 0.354207  -0.065525   0.0768317   0.0525237   43  GLN   A NE2   
346  N  N     . VAL   A 45  ? 0.376196  0.229253 0.169614  -0.00870787 0.0518407   0.0478542   44  VAL   A N     
347  C  CA    . VAL   A 45  ? 0.352216  0.264024 0.162964  -0.0115635  0.0528051   0.0477168   44  VAL   A CA    
348  C  C     . VAL   A 45  ? 0.327336  0.28759  0.162913  -0.0190106  0.0391116   0.0546708   44  VAL   A C     
349  O  O     . VAL   A 45  ? 0.359356  0.392397 0.166236  0.0189887   0.0289048   0.0472076   44  VAL   A O     
350  C  CB    . VAL   A 45  ? 0.355014  0.295278 0.156802  -0.0234077  0.0584766   0.021772    44  VAL   A CB    
351  C  CG1   . VAL   A 45  ? 0.358794  0.334583 0.229079  -0.0254932  0.0572101   0.0104225   44  VAL   A CG1   
352  C  CG2   . VAL   A 45  ? 0.387927  0.284067 0.165766  -0.0407766  0.0583624   0.0345414   44  VAL   A CG2   
353  N  N     . VAL   A 46  ? 0.279044  0.249822 0.162148  -0.0333123  0.0270004   0.0602791   45  VAL   A N     
354  C  CA    . VAL   A 46  ? 0.263187  0.253574 0.165596  -0.0519816  0.0281044   0.0704326   45  VAL   A CA    
355  C  C     . VAL   A 46  ? 0.235206  0.257182 0.142085  -0.0465612  0.0299295   0.0676631   45  VAL   A C     
356  O  O     . VAL   A 46  ? 0.235918  0.264098 0.139684  -0.0231368  0.0243286   0.0579034   45  VAL   A O     
357  C  CB    . VAL   A 46  ? 0.286368  0.263109 0.18896   -0.0638917  0.0323889   0.0840739   45  VAL   A CB    
358  C  CG1   . VAL   A 46  ? 0.27828   0.29531  0.196838  -0.0718773  0.0358288   0.08932     45  VAL   A CG1   
359  C  CG2   . VAL   A 46  ? 0.318241  0.262461 0.217393  -0.0793969  0.0305349   0.0836492   45  VAL   A CG2   
360  N  N     . ILE   A 47  ? 0.224519  0.24723  0.139973  -0.0561321  0.0269774   0.0573713   46  ILE   A N     
361  C  CA    . ILE   A 47  ? 0.20966   0.2488   0.126849  -0.0471782  0.0250026   0.0476501   46  ILE   A CA    
362  C  C     . ILE   A 47  ? 0.204381  0.272368 0.136348  -0.0553522  0.0269364   0.0570448   46  ILE   A C     
363  O  O     . ILE   A 47  ? 0.201568  0.276009 0.151097  -0.0606346  0.0219172   0.0554432   46  ILE   A O     
364  C  CB    . ILE   A 47  ? 0.202736  0.235688 0.121044  -0.0439034  0.0287488   0.0294238   46  ILE   A CB    
365  C  CG1   . ILE   A 47  ? 0.210618  0.223684 0.136674  -0.0411138  0.0352491   0.0266227   46  ILE   A CG1   
366  C  CG2   . ILE   A 47  ? 0.198448  0.236952 0.126849  -0.0317472  0.0294848   0.0282982   46  ILE   A CG2   
367  C  CD1   . ILE   A 47  ? 0.212847  0.223359 0.138639  -0.0475123  0.0363731   0.0178482   46  ILE   A CD1   
368  N  N     . ASP   A 48  ? 0.205719  0.289839 0.134128  -0.0488055  0.0287305   0.0641838   47  ASP   A N     
369  C  CA    . ASP   A 48  ? 0.213485  0.326863 0.146919  -0.052943   0.0353184   0.069928    47  ASP   A CA    
370  C  C     . ASP   A 48  ? 0.217724  0.343228 0.170576  -0.0669052  0.0357681   0.0833882   47  ASP   A C     
371  O  O     . ASP   A 48  ? 0.214959  0.365264 0.194382  -0.0672876  0.0289109   0.0751353   47  ASP   A O     
372  C  CB    . ASP   A 48  ? 0.213036  0.331247 0.150612  -0.0484736  0.0280003   0.0529475   47  ASP   A CB    
373  C  CG    . ASP   A 48  ? 0.22233   0.317235 0.138811  -0.04365    0.0239106   0.0431667   47  ASP   A CG    
374  O  OD1   . ASP   A 48  ? 0.260194  0.311598 0.160327  -0.0430512  -0.00326035 0.0435609   47  ASP   A OD1   
375  O  OD2   . ASP   A 48  ? 0.266321  0.318739 0.17451   -0.0563742  -0.00488446 0.0493178   47  ASP   A OD2   
376  N  N     . GLY   A 49  ? 0.223995  0.333143 0.176578  -0.0770478  0.0391716   0.095638    48  GLY   A N     
377  C  CA    . GLY   A 49  ? 0.242995  0.346203 0.203207  -0.0983724  0.0403424   0.107965    48  GLY   A CA    
378  C  C     . GLY   A 49  ? 0.241568  0.337623 0.212643  -0.109777   0.0300649   0.102049    48  GLY   A C     
379  O  O     . GLY   A 49  ? 0.269678  0.35184  0.236794  -0.128113   0.0327693   0.110177    48  GLY   A O     
380  N  N     . GLU   A 50  ? 0.228649  0.315676 0.194904  -0.102266   0.0216873   0.0890569   49  GLU   A N     
381  C  CA    . GLU   A 50  ? 0.251843  0.325083 0.204491  -0.105341   0.00637243  0.0764349   49  GLU   A CA    
382  C  C     . GLU   A 50  ? 0.266941  0.30549  0.194258  -0.105386   0.0095088   0.0737785   49  GLU   A C     
383  O  O     . GLU   A 50  ? 0.258238  0.307921 0.174444  -0.0998615  0.0272273   0.0615149   49  GLU   A O     
384  C  CB    . GLU   A 50  ? 0.252726  0.329975 0.194255  -0.0838905  -0.00655267 0.0622998   49  GLU   A CB    
385  C  CG    . GLU   A 50  ? 0.284418  0.338909 0.201385  -0.0874635  -0.0214905  0.0525548   49  GLU   A CG    
386  C  CD    . GLU   A 50  ? 0.289218  0.338138 0.214435  -0.066418   -0.0243693  0.0549685   49  GLU   A CD    
387  O  OE1   . GLU   A 50  ? 0.304438  0.317624 0.205791  -0.0365276  -0.0169644  0.0618089   49  GLU   A OE1   
388  O  OE2   . GLU   A 50  ? 0.388381  0.420722 0.283536  -0.057898   -0.0871961  0.0697623   49  GLU   A OE2   
389  N  N     . THR   A 51  ? 0.298767  0.318822 0.2204    -0.109996   -0.00224007 0.0628421   50  THR   A N     
390  C  CA    . THR   A 51  ? 0.328862  0.314404 0.223579  -0.0952817  -0.00732002 0.042156    50  THR   A CA    
391  C  C     . THR   A 51  ? 0.34174   0.325969 0.211711  -0.0734564  -0.0186926  0.0271493   50  THR   A C     
392  O  O     . THR   A 51  ? 0.356897  0.398116 0.239912  -0.0741825  -0.0393709  0.0200174   50  THR   A O     
393  C  CB    . THR   A 51  ? 0.382001  0.322159 0.269923  -0.105592   -0.0106486  0.0268022   50  THR   A CB    
394  O  OG1   . THR   A 51  ? 0.390875  0.32772  0.290924  -0.103354   -0.0025443  0.0395089   50  THR   A OG1   
395  C  CG2   . THR   A 51  ? 0.419295  0.307386 0.285069  -0.0902872  -0.00837817 0.00784589  50  THR   A CG2   
396  N  N     . CYS   A 52  ? 0.335799  0.292511 0.181218  -0.0494492  0.0024663   0.0442645   51  CYS   A N     
397  C  CA    . CYS   A 52  ? 0.323535  0.285876 0.175065  -0.0454782  -0.00590677 0.0462905   51  CYS   A CA    
398  C  C     . CYS   A 52  ? 0.327583  0.251954 0.156532  -0.0390425  0.00081675  0.0368962   51  CYS   A C     
399  O  O     . CYS   A 52  ? 0.35869   0.253325 0.159971  -0.0115506  0.00072339  0.0226677   51  CYS   A O     
400  C  CB    . CYS   A 52  ? 0.294804  0.290113 0.200534  -0.0482103  -0.0268692  0.0466678   51  CYS   A CB    
401  S  SG    . CYS   A 52  ? 0.297928  0.283441 0.279476  -0.0657394  -0.0934817  0.0721956   51  CYS   A SG    
402  N  N     . LEU   A 53  ? 0.281505  0.215801 0.153144  -0.0503041  -0.00439721 0.0282213   52  LEU   A N     
403  C  CA    . LEU   A 53  ? 0.279358  0.203351 0.161954  -0.0496994  -0.00392473 0.0214352   52  LEU   A CA    
404  C  C     . LEU   A 53  ? 0.25123   0.198132 0.184302  -0.0421628  -0.00924447 0.0313673   52  LEU   A C     
405  O  O     . LEU   A 53  ? 0.260129  0.232572 0.274446  -0.0472418  -0.0437415  0.0723253   52  LEU   A O     
406  C  CB    . LEU   A 53  ? 0.308173  0.223491 0.171685  -0.0603213  -0.0105369  0.00515989  52  LEU   A CB    
407  C  CG    . LEU   A 53  ? 0.346843  0.249038 0.215194  -0.0746537  -0.0176052  -0.00736984 52  LEU   A CG    
408  C  CD1   . LEU   A 53  ? 0.384956  0.2803   0.242855  -0.082282   -0.0397818  -0.0284355  52  LEU   A CD1   
409  C  CD2   . LEU   A 53  ? 0.374541  0.239316 0.232248  -0.0635722  -0.0131809  -0.0119183  52  LEU   A CD2   
410  N  N     . LEU   A 54  ? 0.233016  0.181956 0.150077  -0.0302139  0.0122871   0.0289102   53  LEU   A N     
411  C  CA    . LEU   A 54  ? 0.216674  0.163197 0.147608  -0.0178198  0.0120719   0.0194811   53  LEU   A CA    
412  C  C     . LEU   A 54  ? 0.232121  0.162626 0.156364  -0.020507   0.0191442   0.0177017   53  LEU   A C     
413  O  O     . LEU   A 54  ? 0.26704   0.169524 0.158372  0.00063245  0.0295446   0.0171691   53  LEU   A O     
414  C  CB    . LEU   A 54  ? 0.194643  0.16333  0.15368   -0.00195593 0.0130014   0.0142233   53  LEU   A CB    
415  C  CG    . LEU   A 54  ? 0.197697  0.190882 0.160152  -0.00676906 0.0134992   0.0145623   53  LEU   A CG    
416  C  CD1   . LEU   A 54  ? 0.183675  0.207259 0.153853  0.00463872  0.0201559   0.00508578  53  LEU   A CD1   
417  C  CD2   . LEU   A 54  ? 0.192126  0.197246 0.171166  -0.00851154 0.00684587  0.00554181  53  LEU   A CD2   
418  N  N     . ASP   A 55  ? 0.224359  0.164471 0.157933  -0.0341446  0.0040541   0.0161886   54  ASP   A N     
419  C  CA    A ASP   A 55  ? 0.238528  0.160015 0.170087  -0.0368842  0.0120662   0.00464596  54  ASP   A CA    
420  C  CA    B ASP   A 55  ? 0.247641  0.16521  0.174072  -0.0368654  0.01836     0.00693692  54  ASP   A CA    
421  C  C     . ASP   A 55  ? 0.235698  0.14662  0.176512  -0.0253305  0.0206219   0.00755999  54  ASP   A C     
422  O  O     . ASP   A 55  ? 0.241488  0.152538 0.296524  -0.0166993  0.0116938   0.0213899   54  ASP   A O     
423  C  CB    A ASP   A 55  ? 0.260674  0.185648 0.172159  -0.0467314  -0.00060391 -0.00098787 54  ASP   A CB    
424  C  CB    B ASP   A 55  ? 0.279274  0.200037 0.186175  -0.0427452  0.00627767  0.00882169  54  ASP   A CB    
425  C  CG    A ASP   A 55  ? 0.29293   0.193972 0.195575  -0.0526625  -0.00796538 -0.0111066  54  ASP   A CG    
426  C  CG    B ASP   A 55  ? 0.31623   0.218664 0.191549  -0.0355931  0.0142008   -0.00341214 54  ASP   A CG    
427  O  OD1   A ASP   A 55  ? 0.311308  0.233497 0.221886  -0.0644276  -0.0235556  -0.0158825  54  ASP   A OD1   
428  O  OD1   B ASP   A 55  ? 0.369555  0.255272 0.209785  -0.00167428 0.0351004   -0.0249876  54  ASP   A OD1   
429  O  OD2   A ASP   A 55  ? 0.298249  0.180068 0.178368  -0.052442   0.00216527  -0.015825   54  ASP   A OD2   
430  O  OD2   B ASP   A 55  ? 0.3236    0.23842  0.210728  -0.0354741  0.0302715   0.0101382   54  ASP   A OD2   
431  N  N     . ILE   A 56  ? 0.231447  0.124857 0.150853  -0.0179897  0.0371629   0.00511463  55  ILE   A N     
432  C  CA    . ILE   A 56  ? 0.225498  0.118884 0.152219  -0.0136604  0.0420891   0.00138522  55  ILE   A CA    
433  C  C     . ILE   A 56  ? 0.213992  0.104561 0.135391  -0.00448952 0.0388073   -0.00485698 55  ILE   A C     
434  O  O     . ILE   A 56  ? 0.256531  0.11603  0.152007  0.00626989  0.0673108   -0.0080754  55  ILE   A O     
435  C  CB    . ILE   A 56  ? 0.249914  0.125955 0.154983  -0.0177308  0.0342495   0.00539533  55  ILE   A CB    
436  C  CG1   . ILE   A 56  ? 0.276945  0.181051 0.211332  -0.0579039  0.0229552   0.0396488   55  ILE   A CG1   
437  C  CG2   . ILE   A 56  ? 0.237772  0.146133 0.135726  -0.0193094  0.0419846   0.00616495  55  ILE   A CG2   
438  C  CD1   . ILE   A 56  ? 0.286775  0.201275 0.262324  -0.0325842  0.00793276  0.0297089   55  ILE   A CD1   
439  N  N     . LEU   A 57  ? 0.190888  0.114067 0.125837  -0.00914066 0.0344571   -0.00019558 56  LEU   A N     
440  C  CA    . LEU   A 57  ? 0.206253  0.114805 0.105725  -0.0090889  0.0325088   -0.00894229 56  LEU   A CA    
441  C  C     . LEU   A 57  ? 0.189444  0.114983 0.0938795 0.00179944  0.0310824   -0.00725965 56  LEU   A C     
442  O  O     . LEU   A 57  ? 0.178798  0.120882 0.117411  0.00391454  0.0281987   -0.0149853  56  LEU   A O     
443  C  CB    . LEU   A 57  ? 0.219038  0.140621 0.121627  -0.0118742  0.00981148  -0.00602699 56  LEU   A CB    
444  C  CG    . LEU   A 57  ? 0.251989  0.162918 0.129254  -0.00879185 0.0176211   4.194e-05   56  LEU   A CG    
445  C  CD1   . LEU   A 57  ? 0.283358  0.192292 0.149056  -0.00357452 0.0256354   -0.00395083 56  LEU   A CD1   
446  C  CD2   . LEU   A 57  ? 0.275707  0.191505 0.127487  -0.00916151 0.00717908  0.00626052  56  LEU   A CD2   
447  N  N     . ASP   A 58  ? 0.191133  0.114668 0.106307  0.00342827  0.0402277   -0.0133079  57  ASP   A N     
448  C  CA    . ASP   A 58  ? 0.188613  0.121071 0.0979646 0.00809146  0.0438855   -0.00186223 57  ASP   A CA    
449  C  C     . ASP   A 58  ? 0.2       0.127325 0.101018  0.0113323   0.0493864   0.00271277  57  ASP   A C     
450  O  O     . ASP   A 58  ? 0.233057  0.128487 0.116378  0.0237598   0.0640913   0.012412    57  ASP   A O     
451  C  CB    . ASP   A 58  ? 0.200855  0.137078 0.109763  0.0104107   0.0493582   0.0148928   57  ASP   A CB    
452  C  CG    . ASP   A 58  ? 0.200383  0.1564   0.134965  0.0168533   0.0408924   0.00110589  57  ASP   A CG    
453  O  OD1   . ASP   A 58  ? 0.19678   0.165195 0.154973  0.0274273   0.0323819   -0.00083226 57  ASP   A OD1   
454  O  OD2   . ASP   A 58  ? 0.203604  0.182046 0.161542  0.0269645   0.0385264   0.00609818  57  ASP   A OD2   
455  N  N     . THR   A 59  ? 0.189022  0.12202  0.0843463 0.0112754   0.0388688   0.00430837  58  THR   A N     
456  C  CA    . THR   A 59  ? 0.198486  0.129242 0.0923382 0.00952166  0.0396582   0.00701293  58  THR   A CA    
457  C  C     . THR   A 59  ? 0.196311  0.134601 0.112984  0.0157159   0.0484218   0.0100317   58  THR   A C     
458  O  O     . THR   A 59  ? 0.187877  0.147927 0.123725  0.0160042   0.0401453   0.0155777   58  THR   A O     
459  C  CB    . THR   A 59  ? 0.197287  0.132452 0.0972504 0.00518841  0.0362566   0.00542562  58  THR   A CB    
460  O  OG1   . THR   A 59  ? 0.179512  0.126369 0.103263  0.00083486  0.0409826   0.00096527  58  THR   A OG1   
461  C  CG2   . THR   A 59  ? 0.201675  0.151837 0.100134  0.00431405  0.025391    0.00580788  58  THR   A CG2   
462  N  N     . ALA   A 60  ? 0.200707  0.136198 0.121645  0.0266266   0.0573123   0.00884437  59  ALA   A N     
463  C  CA    . ALA   A 60  ? 0.207285  0.142325 0.14403   0.0236936   0.0684989   0.00919443  59  ALA   A CA    
464  C  C     . ALA   A 60  ? 0.246665  0.16015  0.146858  0.0247556   0.0807155   0.0039904   59  ALA   A C     
465  O  O     . ALA   A 60  ? 0.268022  0.193363 0.135393  0.0323547   0.0706362   0.0160198   59  ALA   A O     
466  C  CB    . ALA   A 60  ? 0.222733  0.147071 0.160489  0.0320281   0.0786914   0.00329978  59  ALA   A CB    
467  N  N     . GLY   A 61  ? 0.261124  0.155098 0.154528  0.0195059   0.0896261   0.0119064   60  GLY   A N     
468  C  CA    . GLY   A 61  ? 0.297178  0.175725 0.15002   0.0192279   0.103789    -0.00453313 60  GLY   A CA    
469  C  C     . GLY   A 61  ? 0.285372  0.176469 0.147069  0.0126114   0.103274    0.00146272  60  GLY   A C     
470  O  O     . GLY   A 61  ? 0.28237   0.175874 0.146138  0.00800332  0.0949421   0.00457389  60  GLY   A O     
471  N  N     . GLN   A 62  ? 0.32808   0.186855 0.146211  0.0187271   0.100541    -0.00323669 61  GLN   A N     
472  C  CA    . GLN   A 62  ? 0.31024   0.192606 0.180862  0.0135594   0.105474    0.00868081  61  GLN   A CA    
473  C  C     . GLN   A 62  ? 0.292046  0.17267  0.17416   0.00239924  0.0855604   0.00394918  61  GLN   A C     
474  O  O     . GLN   A 62  ? 0.298372  0.176458 0.239901  0.0132578   0.0457115   -0.0142595  61  GLN   A O     
475  C  CB    . GLN   A 62  ? 0.371194  0.245574 0.198297  0.0210493   0.118459    0.0241942   61  GLN   A CB    
476  C  CG    . GLN   A 62  ? 0.39702   0.301384 0.231308  0.0322403   0.145771    0.0226319   61  GLN   A CG    
477  C  CD    . GLN   A 62  ? 0.40257   0.346358 0.308366  0.0227102   0.131344    0.0335551   61  GLN   A CD    
478  O  OE1   . GLN   A 62  ? 0.488385  0.411086 0.441235  -0.0003047  0.112803    0.0483563   61  GLN   A OE1   
479  N  NE2   . GLN   A 62  ? 0.43682   0.410075 0.366075  0.0262064   0.0938781   0.0320947   61  GLN   A NE2   
480  N  N     . GLU   A 63  ? 0.258953  0.173325 0.163124  -0.00121235 0.0746477   0.00687534  62  GLU   A N     
481  C  CA    . GLU   A 63  ? 0.253024  0.166922 0.147426  -0.00856857 0.056208    0.0191336   62  GLU   A CA    
482  C  C     . GLU   A 63  ? 0.287681  0.193781 0.144475  -0.0122798  0.0542772   0.0248994   62  GLU   A C     
483  O  O     . GLU   A 63  ? 0.306914  0.231713 0.153279  -0.021933   0.0610986   0.0238337   62  GLU   A O     
484  C  CB    . GLU   A 63  ? 0.24424   0.167606 0.150514  -0.0114575  0.0520331   0.0276137   62  GLU   A CB    
485  C  CG    . GLU   A 63  ? 0.244827  0.165183 0.152202  -0.0104168  0.0348692   0.0360229   62  GLU   A CG    
486  C  CD    . GLU   A 63  ? 0.243003  0.161252 0.177011  -0.0141158  0.033388    0.0384271   62  GLU   A CD    
487  O  OE1   . GLU   A 63  ? 0.247212  0.171207 0.202839  -0.0135924  0.0279437   0.0252299   62  GLU   A OE1   
488  O  OE2   . GLU   A 63  ? 0.249901  0.160576 0.18668   -0.0119253  0.0258893   0.0453984   62  GLU   A OE2   
489  N  N     . GLU   A 64  ? 0.287079  0.191686 0.128889  -0.00958782 0.047015    0.0265521   63  GLU   A N     
490  C  CA    . GLU   A 64  ? 0.319879  0.219922 0.134265  -0.0172361  0.0378568   0.0304037   63  GLU   A CA    
491  C  C     . GLU   A 64  ? 0.316266  0.208102 0.129646  -0.0251384  0.0282442   0.0403845   63  GLU   A C     
492  O  O     . GLU   A 64  ? 0.286842  0.203697 0.140191  -0.01778    0.0226846   0.0418136   63  GLU   A O     
493  C  CB    . GLU   A 64  ? 0.349299  0.247668 0.143954  -0.013838   0.041918    0.00803154  63  GLU   A CB    
494  N  N     . TYR   A 65  ? 0.353773  0.226555 0.136764  -0.034145   0.01785     0.059097    64  TYR   A N     
495  C  CA    . TYR   A 65  ? 0.354672  0.22657  0.13846   -0.0390375  -0.00088318 0.07149     64  TYR   A CA    
496  C  C     . TYR   A 65  ? 0.426947  0.26675  0.134973  -0.061527   -0.0145368  0.0724563   64  TYR   A C     
497  O  O     . TYR   A 65  ? 0.472637  0.318507 0.238985  -0.0471605  -0.0411182  0.0684333   64  TYR   A O     
498  C  CB    . TYR   A 65  ? 0.339701  0.226215 0.155391  -0.0337204  -0.00504764 0.0851035   64  TYR   A CB    
499  C  CG    . TYR   A 65  ? 0.305741  0.196702 0.157377  -0.0264854  0.00180586  0.0805622   64  TYR   A CG    
500  C  CD1   . TYR   A 65  ? 0.275153  0.180244 0.161549  -0.0212821  -0.00465648 0.0679379   64  TYR   A CD1   
501  C  CD2   . TYR   A 65  ? 0.305647  0.198366 0.166452  -0.0264122  0.0114418   0.0778483   64  TYR   A CD2   
502  C  CE1   . TYR   A 65  ? 0.256192  0.159965 0.16286   -0.0185791  0.00410032  0.0595518   64  TYR   A CE1   
503  C  CE2   . TYR   A 65  ? 0.281862  0.174462 0.167456  -0.0212633  0.0163251   0.0734778   64  TYR   A CE2   
504  C  CZ    . TYR   A 65  ? 0.257576  0.165665 0.16899   -0.0205849  0.00807567  0.0574403   64  TYR   A CZ    
505  O  OH    . TYR   A 65  ? 0.250596  0.161017 0.175195  -0.0146965  0.0173223   0.0373582   64  TYR   A OH    
506  N  N     . SER   A 66  ? 0.495053  0.275358 0.136162  -0.0772666  -0.0309502  0.0641294   65  SER   A N     
507  C  CA    . SER   A 66  ? 0.564794  0.317219 0.133586  -0.093643   -0.0369718  0.0553089   65  SER   A CA    
508  C  C     . SER   A 66  ? 0.571713  0.315924 0.146935  -0.0983668  -0.0663407  0.0589048   65  SER   A C     
509  O  O     . SER   A 66  ? 0.577919  0.294572 0.173134  -0.118062   -0.0738984  0.0587192   65  SER   A O     
510  C  CB    . SER   A 66  ? 0.591422  0.334512 0.159104  -0.104099   -0.0133834  0.0217938   65  SER   A CB    
511  O  OG    . SER   A 66  ? 0.582883  0.313425 0.16622   -0.119079   0.0135014   0.00062928  65  SER   A OG    
512  N  N     . ALA   A 67  ? 0.623035  0.351387 0.118693  -0.104156   -0.0764099  0.0652487   66  ALA   A N     
513  C  CA    . ALA   A 67  ? 0.619745  0.366656 0.111408  -0.102628   -0.0997395  0.0604376   66  ALA   A CA    
514  C  C     . ALA   A 67  ? 0.604219  0.344342 0.118617  -0.108091   -0.0869576  0.0374907   66  ALA   A C     
515  O  O     . ALA   A 67  ? 0.595982  0.339413 0.140953  -0.117567   -0.0838588  0.023319    66  ALA   A O     
516  C  CB    . ALA   A 67  ? 0.666446  0.417016 0.125753  -0.114126   -0.121405   0.0658918   66  ALA   A CB    
517  N  N     . MET   A 68  ? 0.614864  0.336988 0.115587  -0.109265   -0.0502854  0.026019    67  MET   A N     
518  C  CA    . MET   A 68  ? 0.603555  0.310142 0.146734  -0.09966    -0.0295138  0.0116747   67  MET   A CA    
519  C  C     . MET   A 68  ? 0.521776  0.2679   0.146769  -0.08186    -0.0222734  0.00777952  67  MET   A C     
520  O  O     . MET   A 68  ? 0.514232  0.253006 0.159083  -0.0828348  -0.00913912 0.00133717  67  MET   A O     
521  C  CB    . MET   A 68  ? 0.657228  0.345486 0.16743   -0.0909102  -0.00020963 -0.0147608  67  MET   A CB    
522  C  CG    . MET   A 68  ? 0.703678  0.353673 0.245812  -0.074649   0.0157676   -0.0199405  67  MET   A CG    
523  S  SD    . MET   A 68  ? 0.819787  0.545743 0.418447  -0.0233001  0.0634132   -0.0562528  67  MET   A SD    
524  C  CE    . MET   A 68  ? 0.81767   0.511958 0.394405  -0.0298174  0.0658834   -0.0436134  67  MET   A CE    
525  N  N     . ARG   A 69  ? 0.478982  0.249693 0.125841  -0.0608336  -0.00945001 0.0132312   68  ARG   A N     
526  C  CA    . ARG   A 69  ? 0.431734  0.212896 0.127901  -0.0444443  -0.0148186  0.0146883   68  ARG   A CA    
527  C  C     . ARG   A 69  ? 0.398317  0.218178 0.112788  -0.0496083  -0.0313047  0.0152258   68  ARG   A C     
528  O  O     . ARG   A 69  ? 0.37984   0.209447 0.118971  -0.0425528  -0.0180463  0.0198182   68  ARG   A O     
529  C  CB    . ARG   A 69  ? 0.418288  0.200119 0.130537  -0.0319563  -0.0027817  0.0204459   68  ARG   A CB    
530  C  CG    . ARG   A 69  ? 0.387829  0.183783 0.136937  -0.0223147  -0.00627244 0.0237691   68  ARG   A CG    
531  C  CD    . ARG   A 69  ? 0.371737  0.179609 0.14872   -0.0151973  0.00390662  0.0201831   68  ARG   A CD    
532  N  NE    . ARG   A 69  ? 0.37967   0.199628 0.182529  -0.00237131 0.0122595   0.0151585   68  ARG   A NE    
533  C  CZ    . ARG   A 69  ? 0.381332  0.202325 0.206006  0.0119959   0.0379812   0.0201665   68  ARG   A CZ    
534  N  NH1   . ARG   A 69  ? 0.369293  0.207889 0.214947  0.0131751   0.0437484   0.0183091   68  ARG   A NH1   
535  N  NH2   . ARG   A 69  ? 0.395896  0.228678 0.256225  0.0211727   0.0579915   0.0283763   68  ARG   A NH2   
536  N  N     . ASP   A 70  ? 0.388679  0.238455 0.115089  -0.0461858  -0.0406623  0.021477    69  ASP   A N     
537  C  CA    . ASP   A 70  ? 0.369653  0.258759 0.127918  -0.0425682  -0.0521804  0.0182517   69  ASP   A CA    
538  C  C     . ASP   A 70  ? 0.394033  0.271514 0.148813  -0.0580073  -0.0616339  0.0131503   69  ASP   A C     
539  O  O     . ASP   A 70  ? 0.383724  0.283201 0.158169  -0.0526008  -0.0623559  0.00753215  69  ASP   A O     
540  C  CB    . ASP   A 70  ? 0.359605  0.277398 0.136535  -0.0395741  -0.0611814  0.0339616   69  ASP   A CB    
541  C  CG    . ASP   A 70  ? 0.341657  0.26986  0.144502  -0.0284538  -0.0478977  0.0420182   69  ASP   A CG    
542  O  OD1   . ASP   A 70  ? 0.328678  0.259291 0.144281  -0.01916    -0.0321841  0.0211845   69  ASP   A OD1   
543  O  OD2   . ASP   A 70  ? 0.35125   0.282519 0.172976  -0.0258873  -0.0409826  0.0606153   69  ASP   A OD2   
544  N  N     . GLN   A 71  ? 0.450251  0.303428 0.155287  -0.0847027  -0.0623201  0.0016722   70  GLN   A N     
545  C  CA    . GLN   A 71  ? 0.48168   0.334638 0.20187   -0.110191   -0.0600852  -0.00540801 70  GLN   A CA    
546  C  C     . GLN   A 71  ? 0.485576  0.304988 0.189419  -0.119358   -0.0268627  -0.020872   70  GLN   A C     
547  O  O     . GLN   A 71  ? 0.502263  0.322274 0.212448  -0.134934   -0.00786892 -0.015334   70  GLN   A O     
548  C  CB    . GLN   A 71  ? 0.548389  0.386015 0.217936  -0.128614   -0.079907   -0.0197692  70  GLN   A CB    
549  C  CG    . GLN   A 71  ? 0.598725  0.450201 0.266325  -0.117292   -0.102318   3.804e-05   70  GLN   A CG    
550  C  CD    . GLN   A 71  ? 0.693     0.530618 0.287085  -0.126239   -0.0978772  -0.00575414 70  GLN   A CD    
551  O  OE1   . GLN   A 71  ? 0.773225  0.56087  0.395525  -0.115664   -0.0681076  -0.0500387  70  GLN   A OE1   
552  N  NE2   . GLN   A 71  ? 0.71201   0.576403 0.324599  -0.121031   -0.133724   0.0283031   70  GLN   A NE2   
553  N  N     . TYR   A 72  ? 0.493703  0.277126 0.156015  -0.112719   -0.00407765 -0.0223512  71  TYR   A N     
554  C  CA    . TYR   A 72  ? 0.510731  0.260888 0.198084  -0.0932986  0.00433278  -0.0208303  71  TYR   A CA    
555  C  C     . TYR   A 72  ? 0.474553  0.2341   0.176687  -0.0650605  0.00763711  0.00506326  71  TYR   A C     
556  O  O     . TYR   A 72  ? 0.524643  0.24815  0.203108  -0.0752352  0.030348    0.00910495  71  TYR   A O     
557  C  CB    . TYR   A 72  ? 0.543202  0.270228 0.198121  -0.0788718  0.019015    -0.0272913  71  TYR   A CB    
558  C  CG    . TYR   A 72  ? 0.574527  0.29958  0.241228  -0.0709786  0.00556307  -0.0207442  71  TYR   A CG    
559  C  CD1   . TYR   A 72  ? 0.606023  0.339032 0.330946  -0.103807   -0.0192424  -0.0127115  71  TYR   A CD1   
560  C  CD2   . TYR   A 72  ? 0.583622  0.330547 0.231594  -0.0713747  0.0011024   -0.0159191  71  TYR   A CD2   
561  C  CE1   . TYR   A 72  ? 0.635413  0.376824 0.349966  -0.0939602  -0.0361733  0.0117577   71  TYR   A CE1   
562  C  CE2   . TYR   A 72  ? 0.625165  0.337276 0.251375  -0.0680415  -0.00978418 -0.00325938 71  TYR   A CE2   
563  C  CZ    . TYR   A 72  ? 0.629014  0.343452 0.311756  -0.0896806  -0.0298926  -0.0114821  71  TYR   A CZ    
564  O  OH    . TYR   A 72  ? 0.685951  0.383245 0.375317  -0.0891088  -0.033146   0.0461909   71  TYR   A OH    
565  N  N     . MET   A 73  ? 0.401625  0.230291 0.138933  -0.0511105  0.00731837  0.0130035   72  MET   A N     
566  C  CA    . MET   A 73  ? 0.359035  0.216823 0.130072  -0.0273116  -0.00571613 0.0219667   72  MET   A CA    
567  C  C     . MET   A 73  ? 0.329895  0.237488 0.141404  -0.0498117  -0.0262792  0.031946    72  MET   A C     
568  O  O     . MET   A 73  ? 0.317937  0.244221 0.13713   -0.055704   -0.0272161  0.00436704  72  MET   A O     
569  C  CB    . MET   A 73  ? 0.333834  0.199426 0.130779  -0.00792384 -0.0116733  0.0424591   72  MET   A CB    
570  C  CG    . MET   A 73  ? 0.350476  0.211766 0.127668  7.288e-05   -0.0014876  0.04953     72  MET   A CG    
571  S  SD    . MET   A 73  ? 0.339302  0.213525 0.188742  0.0261564   0.00565526  0.0424842   72  MET   A SD    
572  C  CE    . MET   A 73  ? 0.311087  0.198811 0.18335   0.0258453   -0.00976731 0.0553998   72  MET   A CE    
573  N  N     . ARG   A 74  ? 0.336253  0.276144 0.146077  -0.0581774  -0.0364305  0.0228792   73  ARG   A N     
574  C  CA    . ARG   A 74  ? 0.339739  0.310462 0.18789   -0.0654145  -0.0436434  0.0250496   73  ARG   A CA    
575  C  C     . ARG   A 74  ? 0.349999  0.317162 0.16435   -0.0685506  -0.0458304  0.0287257   73  ARG   A C     
576  O  O     . ARG   A 74  ? 0.337426  0.350083 0.200554  -0.0546377  -0.057499   0.0401361   73  ARG   A O     
577  C  CB    . ARG   A 74  ? 0.376737  0.356927 0.241595  -0.0609679  -0.0620821  0.0480477   73  ARG   A CB    
578  C  CG    . ARG   A 74  ? 0.389971  0.40848  0.288176  -0.0592129  -0.106715   0.0512492   73  ARG   A CG    
579  C  CD    . ARG   A 74  ? 0.420716  0.44013  0.299714  -0.0707935  -0.138189   0.0626817   73  ARG   A CD    
580  N  NE    . ARG   A 74  ? 0.45327   0.43515  0.315917  -0.0598847  -0.131354   0.0724627   73  ARG   A NE    
581  C  CZ    . ARG   A 74  ? 0.50331   0.455891 0.31682   -0.0706687  -0.137777   0.0548714   73  ARG   A CZ    
582  N  NH1   . ARG   A 74  ? 0.482185  0.439886 0.33745   -0.0680679  -0.147153   0.0734453   73  ARG   A NH1   
583  N  NH2   . ARG   A 74  ? 0.570096  0.49417  0.330908  -0.0693625  -0.14707    0.0238109   73  ARG   A NH2   
584  N  N     . THR   A 75  ? 0.361461  0.31202  0.147913  -0.0789215  -0.0317362  0.0217386   74  THR   A N     
585  C  CA    . THR   A 75  ? 0.378452  0.301818 0.177244  -0.0824617  -0.0240677  0.00905008  74  THR   A CA    
586  C  C     . THR   A 75  ? 0.300704  0.260331 0.165138  -0.0695406  -0.0178526  -0.00153834 74  THR   A C     
587  O  O     . THR   A 75  ? 0.327964  0.274946 0.192137  -0.0926387  -0.0158673  0.00036326  74  THR   A O     
588  C  CB    . THR   A 75  ? 0.433517  0.313191 0.201099  -0.0921856  -0.00256797 -0.0169155  74  THR   A CB    
589  O  OG1   . THR   A 75  ? 0.472494  0.29584  0.227577  -0.0600139  0.0441985   -0.0162891  74  THR   A OG1   
590  C  CG2   . THR   A 75  ? 0.492129  0.356321 0.217416  -0.100164   -0.00170023 -0.0150917  74  THR   A CG2   
591  N  N     . GLY   A 76  ? 0.247865  0.238569 0.153147  -0.0410941  -0.00673287 -0.00213243 75  GLY   A N     
592  C  CA    . GLY   A 76  ? 0.205191  0.203871 0.150817  -0.0237131  -0.0136807  -0.00212938 75  GLY   A CA    
593  C  C     . GLY   A 76  ? 0.176828  0.191975 0.160555  -0.020653   -0.0287113  0.00755593  75  GLY   A C     
594  O  O     . GLY   A 76  ? 0.171897  0.222261 0.18601   -0.012986   -0.0357139  0.0321976   75  GLY   A O     
595  N  N     . GLU   A 77  ? 0.160109  0.190512 0.148817  -0.0166209  -0.0323959  0.00905394  76  GLU   A N     
596  C  CA    . GLU   A 77  ? 0.147355  0.21299  0.154534  -0.0181887  -0.0347205  0.0109907   76  GLU   A CA    
597  C  C     . GLU   A 77  ? 0.124209  0.198505 0.153434  -0.0139869  -0.0263147  0.00306033  76  GLU   A C     
598  O  O     . GLU   A 77  ? 0.151191  0.228182 0.179741  0.00819369  -0.0249712  -0.00941141 76  GLU   A O     
599  C  CB    . GLU   A 77  ? 0.158009  0.237772 0.191849  -0.0343875  -0.0380884  0.0185225   76  GLU   A CB    
600  C  CG    . GLU   A 77  ? 0.203846  0.285525 0.241948  -0.0463141  -0.0626595  0.0174036   76  GLU   A CG    
601  C  CD    . GLU   A 77  ? 0.230812  0.296761 0.338776  -0.058457   -0.0650125  0.0312398   76  GLU   A CD    
602  O  OE1   . GLU   A 77  ? 0.21018   0.30686  0.35926   -0.056077   -0.0880681  0.057131    76  GLU   A OE1   
603  O  OE2   . GLU   A 77  ? 0.289166  0.38858  0.46143   -0.0634288  -0.00870084 0.0339858   76  GLU   A OE2   
604  N  N     . GLY   A 78  ? 0.123144  0.170035 0.136347  -0.011004   -0.0146278  -0.0053774  77  GLY   A N     
605  C  CA    . GLY   A 78  ? 0.123986  0.155496 0.1325    -0.00652642 -0.00839855 -0.00252469 77  GLY   A CA    
606  C  C     . GLY   A 78  ? 0.121456  0.142456 0.103515  0.00093893  -0.00050196 0.00506741  77  GLY   A C     
607  O  O     . GLY   A 78  ? 0.123977  0.139999 0.120429  -0.00321049 -0.00219344 0.00030914  77  GLY   A O     
608  N  N     . PHE   A 79  ? 0.104733  0.150878 0.100632  0.00691268  0.00428852  -0.00315525 78  PHE   A N     
609  C  CA    . PHE   A 79  ? 0.106547  0.140418 0.0976557 0.00742412  0.00406909  -0.00332666 78  PHE   A CA    
610  C  C     . PHE   A 79  ? 0.105225  0.135308 0.105682  0.00778246  0.00576806  -0.00842959 78  PHE   A C     
611  O  O     . PHE   A 79  ? 0.115981  0.163684 0.121963  0.0290229   -0.00204247 -0.0238246  78  PHE   A O     
612  C  CB    . PHE   A 79  ? 0.118456  0.140449 0.112251  0.00616239  0.0070363   0.00317079  78  PHE   A CB    
613  C  CG    . PHE   A 79  ? 0.142028  0.141364 0.11272   0.0115694   -0.00199011 0.0155752   78  PHE   A CG    
614  C  CD1   . PHE   A 79  ? 0.164053  0.139464 0.113181  0.0122939   0.00186866  0.0159888   78  PHE   A CD1   
615  C  CD2   . PHE   A 79  ? 0.153805  0.171435 0.123067  0.0126318   -0.017883   0.0182851   78  PHE   A CD2   
616  C  CE1   . PHE   A 79  ? 0.196138  0.169768 0.111341  0.0142529   -0.00329476 0.0203422   78  PHE   A CE1   
617  C  CE2   . PHE   A 79  ? 0.170712  0.197736 0.133916  0.00532835  -0.0366629  0.0299088   78  PHE   A CE2   
618  C  CZ    . PHE   A 79  ? 0.200962  0.185462 0.127081  0.00218974  -0.0340162  0.0362343   78  PHE   A CZ    
619  N  N     A LEU   A 80  ? 0.0965316 0.126748 0.0952421 0.0026036   0.015663    -0.0136003  79  LEU   A N     
620  N  N     B LEU   A 80  ? 0.102161  0.127047 0.104014  0.00206433  0.0185414   -0.0134825  79  LEU   A N     
621  C  CA    A LEU   A 80  ? 0.0994081 0.139095 0.0857876 0.0128927   0.00984874  -0.0127046  79  LEU   A CA    
622  C  CA    B LEU   A 80  ? 0.113469  0.148809 0.096981  0.00764491  0.0143807   -0.0154859  79  LEU   A CA    
623  C  C     A LEU   A 80  ? 0.0961969 0.1465   0.0844713 0.0117025   0.00658349  -0.0117971  79  LEU   A C     
624  C  C     B LEU   A 80  ? 0.10311   0.150467 0.0905204 0.0125294   0.0101735   -0.0120838  79  LEU   A C     
625  O  O     A LEU   A 80  ? 0.10985   0.150882 0.0849936 0.0147959   0.0100491   -0.0167553  79  LEU   A O     
626  O  O     B LEU   A 80  ? 0.114067  0.156773 0.0886523 0.0134133   0.0119299   -0.0169658  79  LEU   A O     
627  C  CB    A LEU   A 80  ? 0.0990594 0.135625 0.0820032 0.0149407   0.00830849  -0.0122272  79  LEU   A CB    
628  C  CB    B LEU   A 80  ? 0.135189  0.14974  0.105784  0.00433179  0.0137978   -0.018475   79  LEU   A CB    
629  C  CG    A LEU   A 80  ? 0.0983867 0.134574 0.0848295 0.0136099   0.00778353  -0.00869183 79  LEU   A CG    
630  C  CG    B LEU   A 80  ? 0.150961  0.166743 0.111054  0.00816351  0.0092388   -0.0166014  79  LEU   A CG    
631  C  CD1   A LEU   A 80  ? 0.099422  0.136397 0.0936265 0.0125201   0.00808244  -0.00242266 79  LEU   A CD1   
632  C  CD1   B LEU   A 80  ? 0.156356  0.184441 0.108771  0.00713799  0.00951862  -0.0168389  79  LEU   A CD1   
633  C  CD2   A LEU   A 80  ? 0.0932828 0.145821 0.0868858 0.0121477   0.0117946   -0.0008083  79  LEU   A CD2   
634  C  CD2   B LEU   A 80  ? 0.15486   0.171653 0.113292  0.0136402   0.00731195  -0.0122543  79  LEU   A CD2   
635  N  N     . CYS   A 81  ? 0.105821  0.148463 0.0982124 0.0135803   0.0140769   -0.0123326  80  CYS   A N     
636  C  CA    . CYS   A 81  ? 0.108646  0.142138 0.110007  0.0223053   0.00390864  -0.00377349 80  CYS   A CA    
637  C  C     . CYS   A 81  ? 0.105747  0.144145 0.107277  0.0136675   0.0100962   -0.0111275  80  CYS   A C     
638  O  O     . CYS   A 81  ? 0.113419  0.15113  0.115426  0.0255032   0.0101716   -0.0177719  80  CYS   A O     
639  C  CB    . CYS   A 81  ? 0.141135  0.148147 0.128877  0.0261546   -0.00994885 -0.00943495 80  CYS   A CB    
640  S  SG    . CYS   A 81  ? 0.170207  0.210885 0.198519  0.0472607   -0.0460274  -0.0146246  80  CYS   A SG    
641  N  N     . VAL   A 82  ? 0.100717  0.133713 0.0966608 0.0166179   0.00403864  0.0006787   81  VAL   A N     
642  C  CA    . VAL   A 82  ? 0.0909009 0.137348 0.0990132 0.0161249   0.00971167  -0.00582499 81  VAL   A CA    
643  C  C     . VAL   A 82  ? 0.10365   0.134456 0.108164  0.0105009   0.00738425  -0.00453608 81  VAL   A C     
644  O  O     . VAL   A 82  ? 0.120448  0.13482  0.116319  -0.00029643 0.0100889   0.00374954  81  VAL   A O     
645  C  CB    . VAL   A 82  ? 0.102728  0.130394 0.10648   0.0171557   0.0130559   -0.00185938 81  VAL   A CB    
646  C  CG1   . VAL   A 82  ? 0.10909   0.138586 0.116127  0.0206037   0.00930698  0.0005742   81  VAL   A CG1   
647  C  CG2   . VAL   A 82  ? 0.116807  0.134703 0.106784  0.00868314  0.0074334   -0.00313813 81  VAL   A CG2   
648  N  N     . PHE   A 83  ? 0.0927303 0.133593 0.118566  0.00175918  0.00798397  -0.0154901  82  PHE   A N     
649  C  CA    . PHE   A 83  ? 0.0934753 0.143548 0.128616  -0.00235507 0.00266527  -0.0112376  82  PHE   A CA    
650  C  C     . PHE   A 83  ? 0.103048  0.144078 0.132266  -0.00248957 -5.6e-05    -0.0119914  82  PHE   A C     
651  O  O     . PHE   A 83  ? 0.106999  0.158784 0.137978  -0.0078794  0.00317993  0.00061599  82  PHE   A O     
652  C  CB    . PHE   A 83  ? 0.10835   0.14466  0.147118  -0.0101575  0.00235997  -0.0157236  82  PHE   A CB    
653  C  CG    . PHE   A 83  ? 0.115951  0.140284 0.147939  -0.00205817 -0.00628085 -0.0240976  82  PHE   A CG    
654  C  CD1   . PHE   A 83  ? 0.117681  0.144324 0.164582  -0.00619288 -0.0136468  -0.0281124  82  PHE   A CD1   
655  C  CD2   . PHE   A 83  ? 0.118598  0.14178  0.147237  0.00254475  -0.00618114 -0.0250241  82  PHE   A CD2   
656  C  CE1   . PHE   A 83  ? 0.142082  0.157557 0.169609  -0.00219843 -0.0111924  -0.0406104  82  PHE   A CE1   
657  C  CE2   . PHE   A 83  ? 0.124252  0.152055 0.153279  0.00419675  0.0020426   -0.0369593  82  PHE   A CE2   
658  C  CZ    . PHE   A 83  ? 0.143685  0.165208 0.163639  -0.0056545  -0.00891354 -0.0446252  82  PHE   A CZ    
659  N  N     . ALA   A 84  ? 0.108059  0.154344 0.153936  -0.00209379 -0.00623864 -0.0125814  83  ALA   A N     
660  C  CA    . ALA   A 84  ? 0.114942  0.164588 0.156989  0.00571594  -0.0113329  -0.0145882  83  ALA   A CA    
661  C  C     . ALA   A 84  ? 0.118462  0.171542 0.18704   -0.00100328 -0.0237776  -0.024357   83  ALA   A C     
662  O  O     . ALA   A 84  ? 0.138752  0.170824 0.200358  -0.00901592 -0.0180947  -0.0243233  83  ALA   A O     
663  C  CB    . ALA   A 84  ? 0.119266  0.189784 0.169272  0.0030307   -0.00096917 -0.008208   83  ALA   A CB    
664  N  N     . ILE   A 85  ? 0.126358  0.177594 0.186924  0.00359119  -0.0265127  -0.0268971  84  ILE   A N     
665  C  CA    A ILE   A 85  ? 0.140152  0.196546 0.201452  -0.0060758  -0.0359723  -0.044537   84  ILE   A CA    
666  C  CA    B ILE   A 85  ? 0.138713  0.197914 0.205649  -0.00271222 -0.0389116  -0.0437246  84  ILE   A CA    
667  C  C     . ILE   A 85  ? 0.143356  0.211193 0.236423  -0.0170764  -0.041419   -0.0449107  84  ILE   A C     
668  O  O     . ILE   A 85  ? 0.173235  0.220194 0.268351  -0.0266733  -0.0469366  -0.0577831  84  ILE   A O     
669  C  CB    A ILE   A 85  ? 0.166461  0.218168 0.18801   -0.00583635 -0.0462358  -0.0534214  84  ILE   A CB    
670  C  CB    B ILE   A 85  ? 0.163374  0.223325 0.196641  0.00376994  -0.0522431  -0.0468307  84  ILE   A CB    
671  C  CG1   A ILE   A 85  ? 0.163261  0.235101 0.187483  -0.00644599 -0.058388   -0.0478947  84  ILE   A CG1   
672  C  CG1   B ILE   A 85  ? 0.16267   0.242937 0.207453  0.00955726  -0.0632514  -0.0417856  84  ILE   A CG1   
673  C  CG2   A ILE   A 85  ? 0.170717  0.204648 0.170458  0.00364493  -0.0333109  -0.0546817  84  ILE   A CG2   
674  C  CG2   B ILE   A 85  ? 0.165626  0.208815 0.17959   0.0165394   -0.0434414  -0.0432142  84  ILE   A CG2   
675  C  CD1   A ILE   A 85  ? 0.187024  0.262038 0.1886    -0.0111238  -0.0636619  -0.0506551  84  ILE   A CD1   
676  C  CD1   B ILE   A 85  ? 0.171379  0.279053 0.242682  -0.00081957 -0.0716237  -0.0410229  84  ILE   A CD1   
677  N  N     . ASN   A 86  ? 0.143514  0.21238  0.25652   -0.0144024  -0.0365296  -0.040628   85  ASN   A N     
678  C  CA    . ASN   A 86  ? 0.136601  0.242167 0.291778  -0.0201551  -0.0435452  -0.0369203  85  ASN   A CA    
679  C  C     . ASN   A 86  ? 0.141782  0.240982 0.313076  -0.0270093  -0.0212468  -0.0237729  85  ASN   A C     
680  O  O     . ASN   A 86  ? 0.152117  0.27989  0.373977  -0.024674   -0.010593   0.00074732  85  ASN   A O     
681  C  CB    . ASN   A 86  ? 0.12365   0.258416 0.294094  -0.0181502  -0.0423132  -0.0251451  85  ASN   A CB    
682  C  CG    . ASN   A 86  ? 0.110879  0.24963  0.289926  -0.0134466  -0.0304664  -0.0202398  85  ASN   A CG    
683  O  OD1   . ASN   A 86  ? 0.119097  0.239523 0.289213  -0.00354256 -0.0278627  -0.0406636  85  ASN   A OD1   
684  N  ND2   . ASN   A 86  ? 0.112275  0.269317 0.296032  -0.00195418 -0.0298196  -0.00750813 85  ASN   A ND2   
685  N  N     . ASN   A 87  ? 0.143019  0.219452 0.287573  -0.0279726  -0.0122879  -0.0115989  86  ASN   A N     
686  C  CA    . ASN   A 87  ? 0.144487  0.211256 0.297602  -0.0258983  0.00490343  -0.00150684 86  ASN   A CA    
687  C  C     . ASN   A 87  ? 0.144549  0.191377 0.291064  -0.0313178  -0.00208021 -0.0139506  86  ASN   A C     
688  O  O     . ASN   A 87  ? 0.142323  0.176202 0.273804  -0.0247952  -0.0003232  -0.00984422 86  ASN   A O     
689  C  CB    . ASN   A 87  ? 0.155881  0.211855 0.291958  0.00135764  0.0242367   0.0119796   86  ASN   A CB    
690  C  CG    . ASN   A 87  ? 0.173069  0.243858 0.310907  -0.00698777 0.0395023   0.0290371   86  ASN   A CG    
691  O  OD1   . ASN   A 87  ? 0.169     0.263339 0.293863  0.0163195   0.0639396   0.0325223   86  ASN   A OD1   
692  N  ND2   . ASN   A 87  ? 0.178216  0.29558  0.349637  0.00296567  0.0228317   0.0273792   86  ASN   A ND2   
693  N  N     . THR   A 88  ? 0.164572  0.198425 0.323248  -0.0337572  -0.0131217  -0.0213306  87  THR   A N     
694  C  CA    . THR   A 88  ? 0.19562   0.194737 0.321615  -0.0223313  -0.0179172  -0.0258137  87  THR   A CA    
695  C  C     . THR   A 88  ? 0.197699  0.173887 0.31493   -0.0238697  -0.00642591 -0.015359   87  THR   A C     
696  O  O     . THR   A 88  ? 0.189887  0.162824 0.268104  -0.0254477  -0.00905548 -0.0179193  87  THR   A O     
697  C  CB    . THR   A 88  ? 0.25161   0.230574 0.358839  -0.0375069  -0.0297817  -0.0417861  87  THR   A CB    
698  O  OG1   . THR   A 88  ? 0.292658  0.284673 0.373701  -0.0333973  -0.0548326  -0.046142   87  THR   A OG1   
699  C  CG2   . THR   A 88  ? 0.297889  0.233641 0.390068  -0.0275489  -0.0328971  -0.0469009  87  THR   A CG2   
700  N  N     . LYS   A 89  ? 0.182837  0.185606 0.330065  -0.0354487  0.00274264  -0.00963307 88  LYS   A N     
701  C  CA    . LYS   A 89  ? 0.198274  0.171175 0.321906  -0.0353278  0.024272    0.00817657  88  LYS   A CA    
702  C  C     . LYS   A 89  ? 0.176132  0.148046 0.278459  -0.0168458  0.0318067   0.0106375   88  LYS   A C     
703  O  O     . LYS   A 89  ? 0.176321  0.159462 0.256811  -0.0128087  0.0380462   0.0139031   88  LYS   A O     
704  C  CB    . LYS   A 89  ? 0.211455  0.210973 0.356605  -0.0432049  0.0433326   0.022737    88  LYS   A CB    
705  C  CG    . LYS   A 89  ? 0.270301  0.298579 0.394452  -0.0406514  0.0268212   0.0261011   88  LYS   A CG    
706  C  CD    . LYS   A 89  ? 0.321254  0.399554 0.44931   -0.0356138  0.0533679   0.0382431   88  LYS   A CD    
707  C  CE    . LYS   A 89  ? 0.421921  0.476912 0.497426  -0.0130216  0.0303143   0.0616346   88  LYS   A CE    
708  N  NZ    . LYS   A 89  ? 0.452104  0.531393 0.566946  0.0018659   0.0115269   0.0451876   88  LYS   A NZ    
709  N  N     . SER   A 90  ? 0.1409    0.148109 0.247868  -0.00882868 0.0365005   0.00706821  89  SER   A N     
710  C  CA    . SER   A 90  ? 0.145669  0.145671 0.223472  -0.00957467 0.0323464   0.00694346  89  SER   A CA    
711  C  C     . SER   A 90  ? 0.144263  0.132432 0.200293  -0.0156302  0.0243137   -0.00835623 89  SER   A C     
712  O  O     . SER   A 90  ? 0.155895  0.149548 0.174002  -0.0231505  0.0235307   -0.0118449  89  SER   A O     
713  C  CB    . SER   A 90  ? 0.13698   0.140009 0.210084  -0.00560781 0.0321455   0.00561914  89  SER   A CB    
714  O  OG    . SER   A 90  ? 0.136856  0.161958 0.214565  -0.00779096 0.0289579   0.00688996  89  SER   A OG    
715  N  N     . PHE   A 91  ? 0.142683  0.145077 0.206386  -0.0117103  0.0110655   -0.0170982  90  PHE   A N     
716  C  CA    . PHE   A 91  ? 0.144005  0.143387 0.193307  -0.0081644  0.00560519  -0.0217976  90  PHE   A CA    
717  C  C     . PHE   A 91  ? 0.159108  0.147001 0.206988  -0.0004378  0.00176542  -0.0215779  90  PHE   A C     
718  O  O     . PHE   A 91  ? 0.164516  0.171789 0.203671  0.0105698   -0.0064765  -0.017684   90  PHE   A O     
719  C  CB    . PHE   A 91  ? 0.156194  0.162519 0.208108  -0.00760346 0.00023998  -0.0330417  90  PHE   A CB    
720  C  CG    . PHE   A 91  ? 0.16888   0.164633 0.218644  -0.00949938 0.0109306   -0.0380099  90  PHE   A CG    
721  C  CD1   . PHE   A 91  ? 0.166235  0.162421 0.192965  -0.00472248 0.00738939  -0.0425489  90  PHE   A CD1   
722  C  CD2   . PHE   A 91  ? 0.206452  0.182691 0.25973   -0.01637    0.0234499   -0.0565796  90  PHE   A CD2   
723  C  CE1   . PHE   A 91  ? 0.1792    0.178454 0.217557  0.00386743  0.0151172   -0.0509641  90  PHE   A CE1   
724  C  CE2   . PHE   A 91  ? 0.231915  0.175466 0.284509  -0.00678053 0.0302304   -0.0720365  90  PHE   A CE2   
725  C  CZ    . PHE   A 91  ? 0.212203  0.182068 0.250832  0.0029309   0.0247701   -0.0626012  90  PHE   A CZ    
726  N  N     . GLU   A 92  ? 0.180551  0.151153 0.220673  -0.0109102  -0.00614452 -0.00784705 91  GLU   A N     
727  C  CA    . GLU   A 92  ? 0.216883  0.143598 0.239415  -0.00563336 0.00498669  -0.00048218 91  GLU   A CA    
728  C  C     . GLU   A 92  ? 0.215872  0.146708 0.224275  -0.00372723 0.0187266   0.00253998  91  GLU   A C     
729  O  O     . GLU   A 92  ? 0.255324  0.193403 0.222039  0.024848    0.0109844   0.00843308  91  GLU   A O     
730  C  CB    . GLU   A 92  ? 0.247975  0.157595 0.290705  -0.017733   0.00385594  0.00610031  91  GLU   A CB    
731  C  CG    . GLU   A 92  ? 0.310314  0.206194 0.340852  -0.0276236  -0.0171143  -0.0127718  91  GLU   A CG    
732  C  CD    . GLU   A 92  ? 0.364556  0.290329 0.417536  -0.0520672  -0.00306621 -0.0106082  91  GLU   A CD    
733  O  OE1   . GLU   A 92  ? 0.420794  0.36658  0.495001  -0.0531056  0.0511703   0.00638231  91  GLU   A OE1   
734  O  OE2   . GLU   A 92  ? 0.48439   0.378648 0.504568  -0.0712805  -0.0486875  -0.045759   91  GLU   A OE2   
735  N  N     . ASP   A 93  ? 0.202244  0.15367  0.199401  -0.0172237  0.0387458   -0.002578   92  ASP   A N     
736  C  CA    . ASP   A 93  ? 0.227962  0.171824 0.192159  -0.0230874  0.0367739   0.00619151  92  ASP   A CA    
737  C  C     . ASP   A 93  ? 0.221783  0.156394 0.157184  -0.0235082  0.0212079   0.00857829  92  ASP   A C     
738  O  O     . ASP   A 93  ? 0.234225  0.162692 0.150028  -0.0323016  0.0150532   0.024584    92  ASP   A O     
739  C  CB    . ASP   A 93  ? 0.232144  0.19997  0.21642   -0.017532   0.0588474   0.00672849  92  ASP   A CB    
740  C  CG    . ASP   A 93  ? 0.259936  0.225784 0.286746  -0.0189818  0.0942687   0.00147242  92  ASP   A CG    
741  O  OD1   . ASP   A 93  ? 0.320773  0.246511 0.304186  -0.0292828  0.129484    0.0302635   92  ASP   A OD1   
742  O  OD2   . ASP   A 93  ? 0.310936  0.236708 0.340816  0.0186574   0.131635    -0.00957737 92  ASP   A OD2   
743  N  N     . ILE   A 94  ? 0.197184  0.169133 0.151261  -0.0207204  0.00804418  0.0121251   93  ILE   A N     
744  C  CA    . ILE   A 94  ? 0.183237  0.145967 0.134428  -0.0141807  0.00714006  0.0191112   93  ILE   A CA    
745  C  C     . ILE   A 94  ? 0.193716  0.14897  0.13963   -0.017091   -0.00079762 0.0188821   93  ILE   A C     
746  O  O     . ILE   A 94  ? 0.214862  0.152789 0.145647  -0.0271464  -0.0115069  0.0328549   93  ILE   A O     
747  C  CB    . ILE   A 94  ? 0.176851  0.163922 0.134653  -0.00328435 0.00515344  0.0129519   93  ILE   A CB    
748  C  CG1   . ILE   A 94  ? 0.167071  0.182275 0.130565  -0.00627414 -0.00069774 0.0152439   93  ILE   A CG1   
749  C  CG2   . ILE   A 94  ? 0.176062  0.177439 0.139078  0.00563939  0.00868818  0.0204872   93  ILE   A CG2   
750  C  CD1   . ILE   A 94  ? 0.15022   0.168799 0.143457  -0.010469   0.00163105  0.0236443   93  ILE   A CD1   
751  N  N     . HIS   A 95  ? 0.202119  0.145717 0.158794  -0.0233804  -0.00584603 0.0122268   94  HIS   A N     
752  C  CA    . HIS   A 95  ? 0.216032  0.161339 0.174429  -0.00734146 -0.0023843  0.0196123   94  HIS   A CA    
753  C  C     . HIS   A 95  ? 0.184586  0.14321  0.174338  -0.00757787 -0.00287863 0.0227803   94  HIS   A C     
754  O  O     . HIS   A 95  ? 0.179439  0.15243  0.184074  0.00495628  -0.00141769 0.0382625   94  HIS   A O     
755  C  CB    . HIS   A 95  ? 0.249182  0.165791 0.213502  -0.00031175 -0.00522616 0.0137087   94  HIS   A CB    
756  C  CG    . HIS   A 95  ? 0.272828  0.192094 0.238935  0.0183154   -0.00342384 0.0257872   94  HIS   A CG    
757  N  ND1   . HIS   A 95  ? 0.305437  0.231053 0.279992  0.0482352   -0.005453   0.0357995   94  HIS   A ND1   
758  C  CD2   . HIS   A 95  ? 0.280055  0.182075 0.249451  0.0107525   0.00195131  0.0344905   94  HIS   A CD2   
759  C  CE1   . HIS   A 95  ? 0.294657  0.194922 0.276677  0.0481069   0.00096616  0.0457108   94  HIS   A CE1   
760  N  NE2   . HIS   A 95  ? 0.30823   0.21755  0.282201  0.0318718   -0.00223464 0.0386196   94  HIS   A NE2   
761  N  N     . HIS   A 96  ? 0.185128  0.137875 0.158304  -0.00697622 -0.00040005 0.0329021   95  HIS   A N     
762  C  CA    . HIS   A 96  ? 0.180568  0.132793 0.15985   -0.00348235 0.0015206   0.0321179   95  HIS   A CA    
763  C  C     . HIS   A 96  ? 0.163557  0.131179 0.145976  0.00137088  0.00354103  0.0329607   95  HIS   A C     
764  O  O     . HIS   A 96  ? 0.164843  0.143989 0.140915  0.00804155  0.0021958   0.0347005   95  HIS   A O     
765  C  CB    . HIS   A 96  ? 0.17977   0.132618 0.171507  -0.0101949  0.00896265  0.0341161   95  HIS   A CB    
766  C  CG    . HIS   A 96  ? 0.187464  0.140387 0.17267   -0.0127273  0.0184586   0.0316232   95  HIS   A CG    
767  N  ND1   . HIS   A 96  ? 0.201265  0.150918 0.177627  -0.0152019  0.0201954   0.0391413   95  HIS   A ND1   
768  C  CD2   . HIS   A 96  ? 0.19231   0.142971 0.180299  -0.0157661  0.0252622   0.0307967   95  HIS   A CD2   
769  C  CE1   . HIS   A 96  ? 0.215466  0.167691 0.175971  -0.0209423  0.0252413   0.0370469   95  HIS   A CE1   
770  N  NE2   . HIS   A 96  ? 0.203846  0.172619 0.181898  -0.0170765  0.0342444   0.0270082   95  HIS   A NE2   
771  N  N     . TYR   A 97  ? 0.150448  0.124623 0.147196  0.00162024  0.00759734  0.028798    96  TYR   A N     
772  C  CA    . TYR   A 97  ? 0.150302  0.12995  0.13311   0.00206336  0.0091316   0.026433    96  TYR   A CA    
773  C  C     . TYR   A 97  ? 0.146981  0.129747 0.144998  0.011875    0.0046117   0.0299201   96  TYR   A C     
774  O  O     . TYR   A 97  ? 0.163254  0.147442 0.136426  0.00488234  -0.00097128 0.0333363   96  TYR   A O     
775  C  CB    . TYR   A 97  ? 0.153309  0.127188 0.130505  0.00917879  0.0139463   0.0184095   96  TYR   A CB    
776  C  CG    . TYR   A 97  ? 0.16105   0.125813 0.131947  0.0096047   0.0235521   0.0229922   96  TYR   A CG    
777  C  CD1   . TYR   A 97  ? 0.16704   0.154445 0.136631  0.00658496  0.0259253   0.0198375   96  TYR   A CD1   
778  C  CD2   . TYR   A 97  ? 0.168161  0.13255  0.140018  0.0167527   0.0247425   0.00916795  96  TYR   A CD2   
779  C  CE1   . TYR   A 97  ? 0.176934  0.155625 0.134576  0.00882849  0.0352414   0.0102935   96  TYR   A CE1   
780  C  CE2   . TYR   A 97  ? 0.16994   0.131627 0.14605   0.0101423   0.0257308   0.00986207  96  TYR   A CE2   
781  C  CZ    . TYR   A 97  ? 0.173121  0.136968 0.141476  0.0107973   0.0296333   0.0076133   96  TYR   A CZ    
782  O  OH    . TYR   A 97  ? 0.179598  0.149532 0.172043  0.0154061   0.0373135   -0.00062109 96  TYR   A OH    
783  N  N     . ARG   A 98  ? 0.148548  0.140882 0.149478  0.0100783   0.00541381  0.024353    97  ARG   A N     
784  C  CA    . ARG   A 98  ? 0.153446  0.152031 0.154624  0.0252027   0.009073    0.0216482   97  ARG   A CA    
785  C  C     . ARG   A 98  ? 0.150277  0.15986  0.165398  0.0255286   0.00717196  0.0306443   97  ARG   A C     
786  O  O     . ARG   A 98  ? 0.152091  0.18195  0.172034  0.0214383   -0.00348279 0.0365353   97  ARG   A O     
787  C  CB    . ARG   A 98  ? 0.175294  0.179831 0.175564  0.0454078   0.0099577   0.00075608  97  ARG   A CB    
788  C  CG    . ARG   A 98  ? 0.187967  0.226035 0.229525  0.0595804   0.00883905  -0.00520063 97  ARG   A CG    
789  C  CD    . ARG   A 98  ? 0.212184  0.267952 0.243424  0.0555791   0.0165775   -0.0216638  97  ARG   A CD    
790  N  NE    . ARG   A 98  ? 0.222177  0.313229 0.273973  0.0581403   0.0362651   -0.023783   97  ARG   A NE    
791  C  CZ    . ARG   A 98  ? 0.236609  0.341201 0.307308  0.0488584   0.0514032   -0.0468594  97  ARG   A CZ    
792  N  NH1   . ARG   A 98  ? 0.267064  0.342222 0.259304  0.0371595   0.05931     -0.0547758  97  ARG   A NH1   
793  N  NH2   . ARG   A 98  ? 0.251507  0.398899 0.354869  0.0599557   0.0611183   -0.0866446  97  ARG   A NH2   
794  N  N     . GLU   A 99  ? 0.165741  0.150064 0.165718  0.0237711   0.00781331  0.0314088   98  GLU   A N     
795  C  CA    . GLU   A 99  ? 0.188641  0.161302 0.183593  0.0294429   -0.0020152  0.04651     98  GLU   A CA    
796  C  C     . GLU   A 99  ? 0.178893  0.169037 0.171549  0.0261006   -0.00815283 0.0528591   98  GLU   A C     
797  O  O     . GLU   A 99  ? 0.177764  0.19405  0.183658  0.029459    -0.0171482  0.0538121   98  GLU   A O     
798  C  CB    . GLU   A 99  ? 0.232426  0.164009 0.206749  0.0325129   0.00079542  0.0582194   98  GLU   A CB    
799  C  CG    . GLU   A 99  ? 0.285198  0.191059 0.243258  0.0382047   0.00014264  0.0323251   98  GLU   A CG    
800  C  CD    . GLU   A 99  ? 0.315432  0.257461 0.290302  0.0559448   0.00732494  0.0162154   98  GLU   A CD    
801  O  OE1   . GLU   A 99  ? 0.33397   0.266028 0.329633  0.0707788   0.00214408  0.00658134  98  GLU   A OE1   
802  O  OE2   . GLU   A 99  ? 0.409233  0.388217 0.313859  0.0353787   0.0477789   -0.0157591  98  GLU   A OE2   
803  N  N     . GLN   A 100 ? 0.170134  0.152344 0.14928   0.013562    -0.0028744  0.0520632   99  GLN   A N     
804  C  CA    . GLN   A 100 ? 0.181973  0.164115 0.149786  0.00896038  -0.00711422 0.0487239   99  GLN   A CA    
805  C  C     . GLN   A 100 ? 0.177851  0.167678 0.146128  0.00656839  -0.0134791  0.0467844   99  GLN   A C     
806  O  O     . GLN   A 100 ? 0.196571  0.197591 0.157883  0.00577441  -0.0295307  0.0478447   99  GLN   A O     
807  C  CB    . GLN   A 100 ? 0.183327  0.158384 0.129774  0.00487416  -0.00265359 0.0380663   99  GLN   A CB    
808  C  CG    . GLN   A 100 ? 0.190977  0.157152 0.14182   0.00053996  0.00352236  0.0348262   99  GLN   A CG    
809  C  CD    . GLN   A 100 ? 0.214325  0.165024 0.159606  -0.00660281 -0.00035271 0.0470822   99  GLN   A CD    
810  O  OE1   . GLN   A 100 ? 0.229931  0.19207  0.148111  -0.00530874 -0.00567653 0.0521533   99  GLN   A OE1   
811  N  NE2   . GLN   A 100 ? 0.235378  0.164489 0.198485  -0.0081291  -0.00429156 0.0457357   99  GLN   A NE2   
812  N  N     . ILE   A 101 ? 0.166214  0.158959 0.146571  0.00557722  -0.00849103 0.0425999   100 ILE   A N     
813  C  CA    . ILE   A 101 ? 0.160194  0.168855 0.161778  -0.00140434 -0.0167399  0.0406904   100 ILE   A CA    
814  C  C     . ILE   A 101 ? 0.165073  0.192085 0.184405  0.00339041  -0.0370011  0.0511763   100 ILE   A C     
815  O  O     . ILE   A 101 ? 0.166873  0.22503  0.194073  -0.00612695 -0.0453543  0.0499884   100 ILE   A O     
816  C  CB    . ILE   A 101 ? 0.147065  0.16148  0.155389  -0.0022019  -0.00347704 0.0346355   100 ILE   A CB    
817  C  CG1   . ILE   A 101 ? 0.141992  0.142803 0.145786  -0.0108441  0.0037065   0.0343782   100 ILE   A CG1   
818  C  CG2   . ILE   A 101 ? 0.155818  0.175307 0.172393  -0.00740965 -0.00529364 0.0400842   100 ILE   A CG2   
819  C  CD1   . ILE   A 101 ? 0.142268  0.136089 0.148595  0.00279267  0.00629612  0.0396026   100 ILE   A CD1   
820  N  N     . LYS   A 102 ? 0.172185  0.202271 0.208607  0.0173907   -0.0326479  0.047821    101 LYS   A N     
821  C  CA    . LYS   A 102 ? 0.181383  0.221053 0.246318  0.0324247   -0.0442672  0.051981    101 LYS   A CA    
822  C  C     . LYS   A 102 ? 0.206065  0.240795 0.259171  0.0426558   -0.0649696  0.0562876   101 LYS   A C     
823  O  O     . LYS   A 102 ? 0.218531  0.279626 0.303579  0.0437598   -0.0842175  0.0488985   101 LYS   A O     
824  C  CB    . LYS   A 102 ? 0.20021   0.223962 0.27719   0.0519206   -0.0346619  0.0451457   101 LYS   A CB    
825  C  CG    . LYS   A 102 ? 0.226216  0.262298 0.287456  0.0455902   -0.0279168  0.0222263   101 LYS   A CG    
826  C  CD    . LYS   A 102 ? 0.300616  0.299497 0.33884   0.0512386   -0.00654279 -0.00599855 101 LYS   A CD    
827  C  CE    . LYS   A 102 ? 0.386858  0.3305   0.426368  0.0533963   -0.00297359 -0.017486   101 LYS   A CE    
828  N  NZ    . LYS   A 102 ? 0.444217  0.297228 0.471875  0.0719294   -0.00030056 -0.0349768  101 LYS   A NZ    
829  N  N     . ARG   A 103 ? 0.21953   0.225871 0.23718   0.0414412   -0.0684905  0.0621949   102 ARG   A N     
830  C  CA    . ARG   A 103 ? 0.254837  0.246771 0.243171  0.0459646   -0.0877741  0.0651311   102 ARG   A CA    
831  C  C     . ARG   A 103 ? 0.261429  0.282786 0.248331  0.024513    -0.0960955  0.0511775   102 ARG   A C     
832  O  O     . ARG   A 103 ? 0.27536   0.360651 0.316448  0.0307191   -0.123341   0.0231927   102 ARG   A O     
833  C  CB    . ARG   A 103 ? 0.290014  0.232105 0.239538  0.0375976   -0.0796051  0.0650088   102 ARG   A CB    
834  C  CG    . ARG   A 103 ? 0.328211  0.26345  0.242543  0.041027    -0.091135   0.0763369   102 ARG   A CG    
835  C  CD    . ARG   A 103 ? 0.350738  0.246622 0.226086  0.0384984   -0.0787277  0.0869392   102 ARG   A CD    
836  N  NE    . ARG   A 103 ? 0.337219  0.220079 0.19519   0.0185355   -0.064784   0.0703436   102 ARG   A NE    
837  C  CZ    . ARG   A 103 ? 0.331821  0.230952 0.178392  -0.00679368 -0.0593467  0.0683724   102 ARG   A CZ    
838  N  NH1   . ARG   A 103 ? 0.347785  0.273081 0.178201  -0.0209243  -0.0675187  0.0727468   102 ARG   A NH1   
839  N  NH2   . ARG   A 103 ? 0.316109  0.202269 0.171257  -0.0220026  -0.0424663  0.064776    102 ARG   A NH2   
840  N  N     . VAL   A 104 ? 0.23094   0.268508 0.211472  0.0080263   -0.0889538  0.0357154   103 VAL   A N     
841  C  CA    . VAL   A 104 ? 0.246567  0.285748 0.216045  -0.00907035 -0.0888009  0.0280785   103 VAL   A CA    
842  C  C     . VAL   A 104 ? 0.226524  0.310726 0.233363  -0.0129054  -0.100434   0.0342371   103 VAL   A C     
843  O  O     . VAL   A 104 ? 0.249     0.352796 0.246644  -0.0347866  -0.108506   0.0270294   103 VAL   A O     
844  C  CB    . VAL   A 104 ? 0.2445    0.282451 0.20447   -0.0153469  -0.0719687  0.00634646  103 VAL   A CB    
845  C  CG1   . VAL   A 104 ? 0.261309  0.270157 0.212367  -0.0142315  -0.0597654  0.00225331  103 VAL   A CG1   
846  C  CG2   . VAL   A 104 ? 0.22564   0.260181 0.206524  -0.0136025  -0.0574993  -0.00064011 103 VAL   A CG2   
847  N  N     . LYS   A 105 ? 0.200671  0.296184 0.258943  -0.0111685  -0.074767   0.0154714   104 LYS   A N     
848  C  CA    . LYS   A 105 ? 0.197178  0.29463  0.301021  -0.0198175  -0.0775324  0.0314322   104 LYS   A CA    
849  C  C     . LYS   A 105 ? 0.198733  0.326658 0.341072  -0.007512   -0.0733904  0.0401996   104 LYS   A C     
850  O  O     . LYS   A 105 ? 0.189469  0.378481 0.391508  -0.000897   -0.0640401  0.0406456   104 LYS   A O     
851  C  CB    . LYS   A 105 ? 0.182824  0.270773 0.299241  -0.0146952  -0.0638423  0.0295334   104 LYS   A CB    
852  C  CG    . LYS   A 105 ? 0.187725  0.265969 0.291642  -0.014924   -0.0652735  0.0270376   104 LYS   A CG    
853  C  CD    . LYS   A 105 ? 0.200098  0.264327 0.281568  -0.0208572  -0.0823773  0.048067    104 LYS   A CD    
854  C  CE    . LYS   A 105 ? 0.18506   0.283294 0.307903  -0.00428542 -0.0870213  0.0627301   104 LYS   A CE    
855  N  NZ    . LYS   A 105 ? 0.210695  0.30151  0.309231  -0.0215988  -0.105596   0.0596807   104 LYS   A NZ    
856  N  N     . ASP   A 106 ? 0.213058  0.324392 0.372805  0.0169184   -0.0735117  0.0437473   105 ASP   A N     
857  C  CA    . ASP   A 106 ? 0.227152  0.367279 0.404519  0.02873     -0.0941718  0.0682585   105 ASP   A CA    
858  C  C     . ASP   A 106 ? 0.230951  0.38364  0.416718  0.0364696   -0.0839914  0.0628432   105 ASP   A C     
859  O  O     . ASP   A 106 ? 0.236919  0.433433 0.446673  0.0428635   -0.10093    0.0578391   105 ASP   A O     
860  C  CB    . ASP   A 106 ? 0.272374  0.426356 0.42706   0.0197278   -0.11549    0.0778161   105 ASP   A CB    
861  C  CG    . ASP   A 106 ? 0.294187  0.462851 0.485539  0.0296755   -0.131012   0.1044      105 ASP   A CG    
862  O  OD1   . ASP   A 106 ? 0.315883  0.543707 0.528528  0.0215222   -0.165857   0.117263    105 ASP   A OD1   
863  O  OD2   . ASP   A 106 ? 0.337225  0.443469 0.53539   0.0424963   -0.108719   0.119962    105 ASP   A OD2   
864  N  N     . SER   A 107 ? 0.218586  0.346727 0.404269  0.0323628   -0.0597287  0.0610001   106 SER   A N     
865  C  CA    . SER   A 107 ? 0.215019  0.350385 0.427576  0.0337612   -0.0333067  0.057744    106 SER   A CA    
866  C  C     . SER   A 107 ? 0.214018  0.314913 0.427391  0.0323144   -0.0115636  0.0476595   106 SER   A C     
867  O  O     . SER   A 107 ? 0.208907  0.34798  0.419945  0.0287785   0.00087662  0.0169494   106 SER   A O     
868  C  CB    . SER   A 107 ? 0.220622  0.361887 0.422379  -0.00129918 -0.0264386  0.0463428   106 SER   A CB    
869  O  OG    . SER   A 107 ? 0.269813  0.402136 0.44861   -0.00675109 -0.0085705  0.0330036   106 SER   A OG    
870  N  N     . GLU   A 108 ? 0.227678  0.319037 0.451172  0.0500206   0.00466744  0.0544869   107 GLU   A N     
871  C  CA    . GLU   A 108 ? 0.244931  0.300295 0.457382  0.044685    0.00047327  0.0502003   107 GLU   A CA    
872  C  C     . GLU   A 108 ? 0.243255  0.272932 0.451659  0.0541963   0.0162173   0.0294207   107 GLU   A C     
873  O  O     . GLU   A 108 ? 0.304384  0.292478 0.456999  0.0489922   0.00959925  0.0118738   107 GLU   A O     
874  C  CB    . GLU   A 108 ? 0.282884  0.322494 0.494115  0.0656887   0.0091013   0.0646323   107 GLU   A CB    
875  C  CG    . GLU   A 108 ? 0.342091  0.364594 0.525957  0.0585737   -0.00559614 0.0912222   107 GLU   A CG    
876  C  CD    . GLU   A 108 ? 0.3988    0.414075 0.52527   0.0195832   0.00806117  0.0912583   107 GLU   A CD    
877  O  OE1   . GLU   A 108 ? 0.448049  0.463768 0.547349  0.0123219   -0.0096373  0.0782807   107 GLU   A OE1   
878  O  OE2   . GLU   A 108 ? 0.491322  0.453569 0.543762  -0.0251922  0.0325563   0.100923    107 GLU   A OE2   
879  N  N     . ASP   A 109 ? 0.224009  0.266898 0.440149  0.062916    0.0233245   0.0380972   108 ASP   A N     
880  C  CA    . ASP   A 109 ? 0.213336  0.261862 0.413652  0.0706411   0.0294863   0.0277809   108 ASP   A CA    
881  C  C     . ASP   A 109 ? 0.181813  0.25281  0.387321  0.0486611   0.0183237   0.0266615   108 ASP   A C     
882  O  O     . ASP   A 109 ? 0.210508  0.300057 0.441949  0.0290014   0.00185699  0.00835441  108 ASP   A O     
883  C  CB    . ASP   A 109 ? 0.227129  0.307148 0.444377  0.0962266   0.0474262   0.0375705   108 ASP   A CB    
884  C  CG    . ASP   A 109 ? 0.262949  0.377931 0.445683  0.0796431   0.0516638   0.0370984   108 ASP   A CG    
885  O  OD1   . ASP   A 109 ? 0.311367  0.395973 0.42502   0.0876415   0.0315734   0.0614194   108 ASP   A OD1   
886  O  OD2   . ASP   A 109 ? 0.278384  0.477055 0.47638   0.0530353   0.0737339   0.0318753   108 ASP   A OD2   
887  N  N     . VAL   A 110 ? 0.16392   0.204685 0.287509  0.0355526   -0.00849796 0.0391093   109 VAL   A N     
888  C  CA    . VAL   A 110 ? 0.141931  0.202043 0.236771  0.0266753   -0.0103533  0.0402112   109 VAL   A CA    
889  C  C     . VAL   A 110 ? 0.119857  0.202991 0.206097  0.0158744   -0.00955544 0.0217476   109 VAL   A C     
890  O  O     . VAL   A 110 ? 0.139405  0.196485 0.239539  0.0188162   -0.0295617  0.0200796   109 VAL   A O     
891  C  CB    . VAL   A 110 ? 0.151436  0.205491 0.226179  0.0175515   -0.00803648 0.047853    109 VAL   A CB    
892  C  CG1   . VAL   A 110 ? 0.171918  0.197006 0.208497  0.011443    -0.00331808 0.0583332   109 VAL   A CG1   
893  C  CG2   . VAL   A 110 ? 0.171605  0.221025 0.259241  0.0213026   -0.0195408  0.0619932   109 VAL   A CG2   
894  N  N     . PRO   A 111 ? 0.119478  0.19207  0.169865  0.023044    -0.0121193  0.00681824  110 PRO   A N     
895  C  CA    . PRO   A 111 ? 0.117968  0.195283 0.153797  0.025111    -0.00104276 -0.00527624 110 PRO   A CA    
896  C  C     . PRO   A 111 ? 0.119917  0.179889 0.14496   0.0287213   -0.0013699  -0.0109645  110 PRO   A C     
897  O  O     . PRO   A 111 ? 0.108532  0.168481 0.148909  0.0259215   -0.0008942  -0.0129215  110 PRO   A O     
898  C  CB    . PRO   A 111 ? 0.12164   0.201258 0.150459  0.0155067   0.00265425  0.00815215  110 PRO   A CB    
899  C  CG    . PRO   A 111 ? 0.123212  0.212869 0.167273  0.00963846  -0.0102854  0.0131754   110 PRO   A CG    
900  C  CD    . PRO   A 111 ? 0.12666   0.211456 0.168111  0.00997085  -0.0180316  0.0158279   110 PRO   A CD    
901  N  N     . MET   A 112 ? 0.113165  0.193131 0.145027  0.0296096   0.0072913   -0.0228859  111 MET   A N     
902  C  CA    . MET   A 112 ? 0.114578  0.186187 0.134799  0.0263311   0.0058034   -0.0202538  111 MET   A CA    
903  C  C     . MET   A 112 ? 0.105467  0.165216 0.132933  0.0184998   0.0065283   -0.0295349  111 MET   A C     
904  O  O     . MET   A 112 ? 0.122521  0.188522 0.146783  0.0361465   0.0135992   -0.0398745  111 MET   A O     
905  C  CB    . MET   A 112 ? 0.167458  0.209879 0.181774  0.0187216   0.00301206  -0.0078414  111 MET   A CB    
906  C  CG    . MET   A 112 ? 0.200011  0.232777 0.214503  0.0117703   0.0100138   0.00316415  111 MET   A CG    
907  S  SD    . MET   A 112 ? 0.216987  0.235433 0.284109  0.0180448   0.0754875   0.0605792   111 MET   A SD    
908  C  CE    . MET   A 112 ? 0.236243  0.280526 0.319309  0.0136592   0.0208628   0.0288429   111 MET   A CE    
909  N  N     . VAL   A 113 ? 0.100498  0.148171 0.112718  0.0162706   0.00617697  -0.0185136  112 VAL   A N     
910  C  CA    . VAL   A 113 ? 0.103548  0.156325 0.10884   0.0190807   0.00914935  -0.0210645  112 VAL   A CA    
911  C  C     . VAL   A 113 ? 0.101831  0.139463 0.100938  0.0246384   0.00657547  -0.0208497  112 VAL   A C     
912  O  O     . VAL   A 113 ? 0.116484  0.15706  0.109202  0.0153384   0.0177455   -0.0355157  112 VAL   A O     
913  C  CB    . VAL   A 113 ? 0.122888  0.158785 0.0951476 0.0161564   0.0152596   -0.0125187  112 VAL   A CB    
914  C  CG1   . VAL   A 113 ? 0.129003  0.181443 0.112022  0.011086    0.00959568  -0.0138311  112 VAL   A CG1   
915  C  CG2   . VAL   A 113 ? 0.144083  0.169191 0.113493  0.00538398  0.0163175   -0.014399   112 VAL   A CG2   
916  N  N     . LEU   A 114 ? 0.102339  0.148415 0.0992188 0.0271227   0.00694061  -0.0261572  113 LEU   A N     
917  C  CA    . LEU   A 114 ? 0.104802  0.145563 0.112808  0.0226409   0.00777168  -0.0227303  113 LEU   A CA    
918  C  C     . LEU   A 114 ? 0.104107  0.138182 0.0965435 0.0151651   0.00320057  -0.0212461  113 LEU   A C     
919  O  O     . LEU   A 114 ? 0.1246    0.161299 0.105395  0.0166228   0.0122542   -0.0140781  113 LEU   A O     
920  C  CB    . LEU   A 114 ? 0.121767  0.142239 0.126802  0.021869    0.0160887   -0.0214909  113 LEU   A CB    
921  C  CG    . LEU   A 114 ? 0.120674  0.15062  0.125006  0.0128308   0.00997609  -0.0243283  113 LEU   A CG    
922  C  CD1   . LEU   A 114 ? 0.125667  0.143776 0.132271  0.00484653  0.0129605   -0.00591734 113 LEU   A CD1   
923  C  CD2   . LEU   A 114 ? 0.136918  0.165567 0.159702  0.00616296  0.0171099   -0.0420135  113 LEU   A CD2   
924  N  N     . VAL   A 115 ? 0.110443  0.13128  0.0982305 0.0204093   0.00590822  -0.0102489  114 VAL   A N     
925  C  CA    . VAL   A 115 ? 0.107131  0.13897  0.0920976 0.0157157   -0.00098597 -0.0128402  114 VAL   A CA    
926  C  C     . VAL   A 115 ? 0.105083  0.147972 0.101738  0.0131127   0.00062275  -0.0221453  114 VAL   A C     
927  O  O     . VAL   A 115 ? 0.113038  0.161419 0.109982  0.00590459  0.0123805   -0.0183965  114 VAL   A O     
928  C  CB    . VAL   A 115 ? 0.117429  0.135425 0.0971033 0.0136185   -0.00377488 -0.0106742  114 VAL   A CB    
929  C  CG1   . VAL   A 115 ? 0.132647  0.14752  0.107071  0.0216233   0.00023506  -0.0063344  114 VAL   A CG1   
930  C  CG2   . VAL   A 115 ? 0.132894  0.144156 0.113775  0.00486166  -0.00360355 -0.00963701 114 VAL   A CG2   
931  N  N     . GLY   A 116 ? 0.120021  0.164953 0.105794  0.00743949  -0.00451816 -0.0304132  115 GLY   A N     
932  C  CA    . GLY   A 116 ? 0.12906   0.155486 0.124993  0.00156348  -0.0146928  -0.0266176  115 GLY   A CA    
933  C  C     . GLY   A 116 ? 0.13076   0.160097 0.11602   0.00987977  -0.0171065  -0.0220363  115 GLY   A C     
934  O  O     . GLY   A 116 ? 0.144138  0.17696  0.114466  0.0227212   -0.0197631  -0.0215165  115 GLY   A O     
935  N  N     . ASN   A 117 ? 0.124189  0.154378 0.11806   0.0167399   -0.0168073  -0.00845582 116 ASN   A N     
936  C  CA    . ASN   A 117 ? 0.121217  0.153625 0.12495   0.0182147   -0.00967824 -0.00792935 116 ASN   A CA    
937  C  C     . ASN   A 117 ? 0.121425  0.167473 0.141513  0.012364    -0.0115101  -0.00889958 116 ASN   A C     
938  O  O     . ASN   A 117 ? 0.142728  0.168406 0.168023  0.0087157   -0.019546   -0.0109389  116 ASN   A O     
939  C  CB    . ASN   A 117 ? 0.124119  0.145458 0.118235  0.0225379   -0.00140619 -0.00091544 116 ASN   A CB    
940  C  CG    . ASN   A 117 ? 0.124286  0.155982 0.116133  0.0267593   -0.00191727 0.00872279  116 ASN   A CG    
941  O  OD1   . ASN   A 117 ? 0.135924  0.16228  0.126081  0.0295024   0.00466463  0.0180914   116 ASN   A OD1   
942  N  ND2   . ASN   A 117 ? 0.124117  0.1624   0.128751  0.0292868   0.00950923  0.0174234   116 ASN   A ND2   
943  N  N     . LYS   A 118 ? 0.116565  0.175573 0.155916  0.0159332   -0.0187088  0.00194146  117 LYS   A N     
944  C  CA    . LYS   A 118 ? 0.113303  0.210359 0.168031  0.0184872   -0.0217324  -0.00134569 117 LYS   A CA    
945  C  C     . LYS   A 118 ? 0.133675  0.239742 0.180116  0.0102068   -0.0247364  -0.0165639  117 LYS   A C     
946  O  O     . LYS   A 118 ? 0.143245  0.261209 0.190489  0.00157898  -0.0341985  -0.0218483  117 LYS   A O     
947  C  CB    . LYS   A 118 ? 0.120819  0.212693 0.182925  0.00919553  -0.0207282  0.00024455  117 LYS   A CB    
948  C  CG    . LYS   A 118 ? 0.111884  0.195933 0.175255  0.0172048   -0.00893906 0.00377192  117 LYS   A CG    
949  C  CD    . LYS   A 118 ? 0.106107  0.227584 0.196019  0.017449    -0.00586267 0.00272564  117 LYS   A CD    
950  C  CE    . LYS   A 118 ? 0.10724   0.228353 0.193134  0.0129561   0.00746162  -0.00017423 117 LYS   A CE    
951  N  NZ    . LYS   A 118 ? 0.116174  0.259654 0.219808  -0.00277618 0.00666894  -0.00124747 117 LYS   A NZ    
952  N  N     . CYS   A 119 ? 0.135904  0.238504 0.167421  0.0145946   -0.0233927  -0.0234009  118 CYS   A N     
953  C  CA    A CYS   A 119 ? 0.160901  0.265117 0.161506  0.00329945  -0.0272272  -0.0292088  118 CYS   A CA    
954  C  CA    B CYS   A 119 ? 0.179183  0.284152 0.173742  0.0051914   -0.0346032  -0.0366903  118 CYS   A CA    
955  C  C     . CYS   A 119 ? 0.185535  0.316206 0.170621  0.00459014  -0.0447129  -0.0279767  118 CYS   A C     
956  O  O     . CYS   A 119 ? 0.235498  0.369234 0.177407  0.00575394  -0.0601645  -0.0489224  118 CYS   A O     
957  C  CB    A CYS   A 119 ? 0.16834   0.247435 0.139938  0.00476853  -0.0176708  -0.0328934  118 CYS   A CB    
958  C  CB    B CYS   A 119 ? 0.203202  0.307559 0.187902  0.00459015  -0.021216   -0.0501936  118 CYS   A CB    
959  S  SG    A CYS   A 119 ? 0.164893  0.250896 0.119854  0.0090977   -0.00751054 -0.0134651  118 CYS   A SG    
960  S  SG    B CYS   A 119 ? 0.291808  0.355769 0.289689  0.0105544   -0.0345965  -0.0451819  118 CYS   A SG    
961  N  N     . ASP   A 120 ? 0.169264  0.312166 0.16449   0.00782203  -0.0469952  -0.00862543 119 ASP   A N     
962  C  CA    . ASP   A 120 ? 0.18281   0.347827 0.179105  0.0130895   -0.0559217  0.00289479  119 ASP   A CA    
963  C  C     . ASP   A 120 ? 0.184811  0.377262 0.209033  0.00275203  -0.0655278  0.00192164  119 ASP   A C     
964  O  O     . ASP   A 120 ? 0.207904  0.410285 0.214617  -0.00106809 -0.0800063  0.00217776  119 ASP   A O     
965  C  CB    . ASP   A 120 ? 0.164068  0.341114 0.16936   0.0245238   -0.0520454  0.0167414   119 ASP   A CB    
966  C  CG    . ASP   A 120 ? 0.147902  0.318586 0.173342  0.0295958   -0.0404537  0.0162327   119 ASP   A CG    
967  O  OD1   . ASP   A 120 ? 0.155032  0.352733 0.191749  0.0413031   -0.0424262  0.0148585   119 ASP   A OD1   
968  O  OD2   . ASP   A 120 ? 0.144015  0.287365 0.147083  0.0281256   -0.0287253  0.0071823   119 ASP   A OD2   
969  N  N     . LEU   A 121 ? 0.174746  0.363638 0.228936  -0.00913075 -0.0550917  -0.00190208 120 LEU   A N     
970  C  CA    . LEU   A 121 ? 0.172202  0.39987  0.275901  -0.0181561  -0.0663399  0.00045473  120 LEU   A CA    
971  C  C     . LEU   A 121 ? 0.202725  0.427732 0.333256  -0.0415423  -0.0776173  -0.0309334  120 LEU   A C     
972  O  O     . LEU   A 121 ? 0.217787  0.442885 0.364395  -0.0307586  -0.0699644  -0.0676564  120 LEU   A O     
973  C  CB    . LEU   A 121 ? 0.16667   0.379276 0.287099  -0.0251092  -0.0544939  0.0133607   120 LEU   A CB    
974  C  CG    . LEU   A 121 ? 0.17883   0.3874   0.28416   -0.0178319  -0.0554667  0.0220488   120 LEU   A CG    
975  C  CD1   . LEU   A 121 ? 0.209151  0.386842 0.29879   -0.0369446  -0.0409524  0.0231038   120 LEU   A CD1   
976  C  CD2   . LEU   A 121 ? 0.185906  0.430786 0.306481  -0.00766681 -0.0632308  0.0256282   120 LEU   A CD2   
977  N  N     . PRO   A 122 ? 0.228346  0.490423 0.374207  -0.0464542  -0.108607   -0.0265986  121 PRO   A N     
978  C  CA    . PRO   A 122 ? 0.293454  0.516958 0.387918  -0.0526088  -0.0942816  -0.0447598  121 PRO   A CA    
979  C  C     . PRO   A 122 ? 0.279604  0.508138 0.394606  -0.051839   -0.0988196  -0.0570961  121 PRO   A C     
980  O  O     . PRO   A 122 ? 0.31637   0.520847 0.420326  -0.0415356  -0.101275   -0.0701859  121 PRO   A O     
981  C  CB    . PRO   A 122 ? 0.298809  0.56234  0.415025  -0.0696462  -0.118245   -0.0354533  121 PRO   A CB    
982  C  CG    . PRO   A 122 ? 0.239842  0.547407 0.436871  -0.0559524  -0.117189   -0.0131064  121 PRO   A CG    
983  C  CD    . PRO   A 122 ? 0.226281  0.500655 0.396356  -0.0381535  -0.107468   -0.00469868 121 PRO   A CD    
984  N  N     . SER   A 123 ? 0.262653  0.504105 0.404693  -0.0246044  -0.0874691  -0.0453022  122 SER   A N     
985  C  CA    . SER   A 123 ? 0.278126  0.506803 0.439535  -0.0434777  -0.067875   -0.0489014  122 SER   A CA    
986  C  C     . SER   A 123 ? 0.295444  0.489399 0.427125  -0.0337264  -0.0819138  -0.0375     122 SER   A C     
987  O  O     . SER   A 123 ? 0.288028  0.473087 0.39795   -0.0227456  -0.0774387  -0.0580663  122 SER   A O     
988  C  CB    . SER   A 123 ? 0.295037  0.507017 0.492518  -0.0563036  -0.0333614  -0.0579101  122 SER   A CB    
989  O  OG    . SER   A 123 ? 0.282788  0.504678 0.507552  -0.0841722  0.0172027   -0.0817189  122 SER   A OG    
990  N  N     . ARG   A 124 ? 0.265665  0.466723 0.404097  -0.0584017  -0.108587   -0.0339236  123 ARG   A N     
991  C  CA    . ARG   A 124 ? 0.277243  0.39104  0.363313  -0.0506332  -0.112427   -0.03278    123 ARG   A CA    
992  C  C     . ARG   A 124 ? 0.277405  0.368594 0.366064  -0.0687954  -0.117962   -0.0509617  123 ARG   A C     
993  O  O     . ARG   A 124 ? 0.383425  0.382329 0.418731  -0.111491   -0.155747   -0.0533445  123 ARG   A O     
994  C  CB    . ARG   A 124 ? 0.30993   0.431747 0.383431  -0.0404482  -0.0966125  -0.0429071  123 ARG   A CB    
995  C  CG    . ARG   A 124 ? 0.341533  0.426425 0.409804  -0.0326431  -0.0761582  -0.0636348  123 ARG   A CG    
996  C  CD    . ARG   A 124 ? 0.387942  0.456838 0.408005  -0.0338357  -0.0689933  -0.0974786  123 ARG   A CD    
997  N  NE    . ARG   A 124 ? 0.416574  0.439655 0.408383  -0.032355   -0.0503069  -0.122539   123 ARG   A NE    
998  C  CZ    . ARG   A 124 ? 0.430914  0.420277 0.363319  -0.0227243  -0.0299762  -0.150073   123 ARG   A CZ    
999  N  NH1   . ARG   A 124 ? 0.449493  0.367349 0.328685  0.0127001   0.0232392   -0.171961   123 ARG   A NH1   
1000 N  NH2   . ARG   A 124 ? 0.450497  0.425707 0.33881   -0.0366358  -0.0340176  -0.144756   123 ARG   A NH2   
1001 N  N     . THR   A 125 ? 0.232979  0.297651 0.356669  -0.066906   -0.0992819  -0.0501372  124 THR   A N     
1002 C  CA    . THR   A 125 ? 0.236511  0.290669 0.378686  -0.0675664  -0.0952139  -0.0608831  124 THR   A CA    
1003 C  C     . THR   A 125 ? 0.238937  0.257233 0.366217  -0.057636   -0.083811   -0.070904   124 THR   A C     
1004 O  O     . THR   A 125 ? 0.273403  0.260888 0.425893  -0.0528155  -0.084705   -0.0620212  124 THR   A O     
1005 C  CB    . THR   A 125 ? 0.239488  0.303449 0.402166  -0.0698443  -0.0804348  -0.0340448  124 THR   A CB    
1006 O  OG1   . THR   A 125 ? 0.265259  0.297391 0.383693  -0.0699826  -0.0484104  -0.0319198  124 THR   A OG1   
1007 C  CG2   . THR   A 125 ? 0.237849  0.363266 0.434986  -0.074373   -0.0781827  -0.0233814  124 THR   A CG2   
1008 N  N     . VAL   A 126 ? 0.202164  0.241742 0.325578  -0.0402905  -0.0770573  -0.0611063  125 VAL   A N     
1009 C  CA    . VAL   A 126 ? 0.213395  0.222898 0.307856  -0.0244506  -0.0677589  -0.0728425  125 VAL   A CA    
1010 C  C     . VAL   A 126 ? 0.226593  0.247489 0.303981  -0.0268046  -0.059182   -0.0944265  125 VAL   A C     
1011 O  O     . VAL   A 126 ? 0.244864  0.264041 0.267523  -0.00127594 -0.0574126  -0.0790302  125 VAL   A O     
1012 C  CB    . VAL   A 126 ? 0.204201  0.219261 0.2869    -0.0191324  -0.0560199  -0.062102   125 VAL   A CB    
1013 C  CG1   . VAL   A 126 ? 0.204787  0.211004 0.279938  -0.0158562  -0.0431135  -0.0684035  125 VAL   A CG1   
1014 C  CG2   . VAL   A 126 ? 0.192892  0.217376 0.298879  -0.0225424  -0.0534751  -0.0486195  125 VAL   A CG2   
1015 N  N     . ASP   A 127 ? 0.25051   0.271217 0.330998  -0.0302822  -0.0624036  -0.117707   126 ASP   A N     
1016 C  CA    . ASP   A 127 ? 0.276373  0.312663 0.348583  -0.0262753  -0.0559061  -0.129825   126 ASP   A CA    
1017 C  C     . ASP   A 127 ? 0.262805  0.317364 0.31154   -0.0122672  -0.0628179  -0.117729   126 ASP   A C     
1018 O  O     . ASP   A 127 ? 0.248217  0.310892 0.284502  0.00117288  -0.049707   -0.13268    126 ASP   A O     
1019 C  CB    . ASP   A 127 ? 0.341807  0.363502 0.426976  -0.046651   -0.0487891  -0.167143   126 ASP   A CB    
1020 C  CG    . ASP   A 127 ? 0.381501  0.388745 0.530986  -0.0429475  -0.0510544  -0.155826   126 ASP   A CG    
1021 O  OD1   . ASP   A 127 ? 0.386568  0.415934 0.563147  -0.0253807  -0.0114139  -0.167685   126 ASP   A OD1   
1022 O  OD2   . ASP   A 127 ? 0.483052  0.469467 0.668432  -0.0550034  0.0049613   -0.121594   126 ASP   A OD2   
1023 N  N     . THR   A 128 ? 0.270755  0.348658 0.322939  -0.0172666  -0.0748963  -0.10772    127 THR   A N     
1024 C  CA    . THR   A 128 ? 0.26281   0.337187 0.304154  -0.0144953  -0.083529   -0.100527   127 THR   A CA    
1025 C  C     . THR   A 128 ? 0.258522  0.326244 0.28498   -0.00806046 -0.061018   -0.125494   127 THR   A C     
1026 O  O     . THR   A 128 ? 0.254415  0.314872 0.265797  0.00183767  -0.0623798  -0.0893005  127 THR   A O     
1027 C  CB    . THR   A 128 ? 0.306408  0.393593 0.344044  -0.00842058 -0.0674333  -0.0627815  127 THR   A CB    
1028 O  OG1   . THR   A 128 ? 0.321596  0.390445 0.387056  -0.00786028 -0.0793823  -0.0364868  127 THR   A OG1   
1029 C  CG2   . THR   A 128 ? 0.301477  0.416669 0.347179  0.00694019  -0.0604148  -0.0456858  127 THR   A CG2   
1030 N  N     . LYS   A 129 ? 0.262565  0.348194 0.304552  -0.0193648  -0.0552464  -0.152281   128 LYS   A N     
1031 C  CA    . LYS   A 129 ? 0.276812  0.350824 0.315434  -0.00703337 -0.0390627  -0.167912   128 LYS   A CA    
1032 C  C     . LYS   A 129 ? 0.246695  0.302794 0.308634  -0.00980348 -0.0233883  -0.166284   128 LYS   A C     
1033 O  O     . LYS   A 129 ? 0.24541   0.297095 0.300388  0.00746282  -0.0057416  -0.166831   128 LYS   A O     
1034 C  CB    . LYS   A 129 ? 0.336377  0.394258 0.350163  -0.010615   -0.0493519  -0.201111   128 LYS   A CB    
1035 C  CG    . LYS   A 129 ? 0.39751   0.4219   0.374904  0.0244284   -0.0370124  -0.233008   128 LYS   A CG    
1036 C  CD    . LYS   A 129 ? 0.459887  0.472361 0.439831  0.0108568   -0.0515416  -0.25475    128 LYS   A CD    
1037 C  CE    . LYS   A 129 ? 0.515467  0.51221  0.493278  0.0420618   -0.0398239  -0.268999   128 LYS   A CE    
1038 N  NZ    . LYS   A 129 ? 0.514731  0.522792 0.494778  0.0670084   -0.0400586  -0.264527   128 LYS   A NZ    
1039 N  N     . GLN   A 130 ? 0.245913  0.279832 0.322245  -0.0139655  -0.0183871  -0.156712   129 GLN   A N     
1040 C  CA    . GLN   A 130 ? 0.245313  0.256221 0.340324  -0.0107982  -0.00338415 -0.134131   129 GLN   A CA    
1041 C  C     . GLN   A 130 ? 0.207726  0.22789  0.301643  0.00013635  0.0171579   -0.116016   129 GLN   A C     
1042 O  O     . GLN   A 130 ? 0.203268  0.218007 0.305142  0.00789432  0.036034    -0.104047   129 GLN   A O     
1043 C  CB    . GLN   A 130 ? 0.258223  0.293436 0.370783  -0.0222715  0.00143933  -0.102453   129 GLN   A CB    
1044 C  CG    . GLN   A 130 ? 0.32128   0.322648 0.4403    -0.0346677  -0.00207912 -0.0955566  129 GLN   A CG    
1045 C  CD    . GLN   A 130 ? 0.303714  0.359262 0.468216  -0.0373432  -0.00455667 -0.0659631  129 GLN   A CD    
1046 O  OE1   . GLN   A 130 ? 0.297884  0.339411 0.484158  -0.0485677  -0.0198336  -0.0676756  129 GLN   A OE1   
1047 N  NE2   . GLN   A 130 ? 0.331482  0.379187 0.478933  -0.0466761  -0.00680969 -0.0521545  129 GLN   A NE2   
1048 N  N     . ALA   A 131 ? 0.198938  0.225237 0.267522  -0.00521828 0.00970538  -0.102711   130 ALA   A N     
1049 C  CA    . ALA   A 131 ? 0.18969   0.214467 0.228535  0.00772996  0.0134907   -0.100039   130 ALA   A CA    
1050 C  C     . ALA   A 131 ? 0.18686   0.21454  0.208626  0.00761141  0.00528491  -0.0946655  130 ALA   A C     
1051 O  O     . ALA   A 131 ? 0.180855  0.206332 0.205658  0.0094664   0.00585485  -0.0787283  130 ALA   A O     
1052 C  CB    . ALA   A 131 ? 0.198172  0.227085 0.242061  0.00779374  -0.00164178 -0.0815763  130 ALA   A CB    
1053 N  N     . GLN   A 132 ? 0.207582  0.240603 0.20314   0.00509004  0.00417647  -0.0993633  131 GLN   A N     
1054 C  CA    . GLN   A 132 ? 0.211354  0.251778 0.204706  0.00369492  0.0095746   -0.102781   131 GLN   A CA    
1055 C  C     . GLN   A 132 ? 0.207278  0.233048 0.228702  0.00778421  0.0117812   -0.111994   131 GLN   A C     
1056 O  O     . GLN   A 132 ? 0.204226  0.247728 0.235034  0.0127024   0.0128316   -0.100556   131 GLN   A O     
1057 C  CB    . GLN   A 132 ? 0.267144  0.290656 0.212021  0.00132202  0.00098553  -0.108503   131 GLN   A CB    
1058 C  CG    . GLN   A 132 ? 0.28865   0.317283 0.233093  0.0062915   -0.00277648 -0.08637    131 GLN   A CG    
1059 C  CD    . GLN   A 132 ? 0.375491  0.379366 0.252265  0.00419168  0.00658288  -0.0567674  131 GLN   A CD    
1060 O  OE1   . GLN   A 132 ? 0.437151  0.434779 0.279771  0.00695439  -0.0153162  -0.0749963  131 GLN   A OE1   
1061 N  NE2   . GLN   A 132 ? 0.420836  0.40959  0.281499  0.00563521  0.0244367   -0.0227026  131 GLN   A NE2   
1062 N  N     . ASP   A 133 ? 0.218338  0.233714 0.256911  0.00454231  0.0146058   -0.116269   132 ASP   A N     
1063 C  CA    . ASP   A 133 ? 0.24287   0.227723 0.293656  0.0149456   0.0193583   -0.116024   132 ASP   A CA    
1064 C  C     . ASP   A 133 ? 0.226046  0.194048 0.282988  0.0229245   0.0259254   -0.0940115  132 ASP   A C     
1065 O  O     . ASP   A 133 ? 0.238796  0.187582 0.297743  0.0387822   0.0260835   -0.0876639  132 ASP   A O     
1066 C  CB    . ASP   A 133 ? 0.275144  0.231366 0.336825  0.00726098  0.0164415   -0.127478   132 ASP   A CB    
1067 C  CG    . ASP   A 133 ? 0.324485  0.280574 0.358028  0.00591329  0.0123744   -0.151846   132 ASP   A CG    
1068 O  OD1   . ASP   A 133 ? 0.357386  0.327765 0.352526  0.00805966  0.0194326   -0.158153   132 ASP   A OD1   
1069 O  OD2   . ASP   A 133 ? 0.362005  0.296984 0.400122  -0.0104516  -0.00080808 -0.161989   132 ASP   A OD2   
1070 N  N     . LEU   A 134 ? 0.220111  0.173201 0.259072  0.01981     0.0222756   -0.0764153  133 LEU   A N     
1071 C  CA    . LEU   A 134 ? 0.21492   0.157449 0.250812  0.0206318   0.0204864   -0.059154   133 LEU   A CA    
1072 C  C     . LEU   A 134 ? 0.196799  0.161821 0.2283    0.0295454   0.018209    -0.0477659  133 LEU   A C     
1073 O  O     . LEU   A 134 ? 0.20954   0.173479 0.233474  0.0325674   0.0169814   -0.0236595  133 LEU   A O     
1074 C  CB    . LEU   A 134 ? 0.219079  0.176832 0.241876  0.0142427   0.0238702   -0.0467455  133 LEU   A CB    
1075 C  CG    . LEU   A 134 ? 0.221604  0.189899 0.239925  0.0149051   0.0257811   -0.0358956  133 LEU   A CG    
1076 C  CD1   . LEU   A 134 ? 0.270223  0.212149 0.276562  0.0314269   0.0300516   -0.0245182  133 LEU   A CD1   
1077 C  CD2   . LEU   A 134 ? 0.20601   0.190924 0.20909   0.00773383  0.029835    -0.02296    133 LEU   A CD2   
1078 N  N     . ALA   A 135 ? 0.183137  0.163101 0.203165  0.0207261   0.0081322   -0.0531776  134 ALA   A N     
1079 C  CA    . ALA   A 135 ? 0.165849  0.168648 0.191709  0.0261892   0.00702455  -0.0473861  134 ALA   A CA    
1080 C  C     . ALA   A 135 ? 0.175054  0.176904 0.211804  0.037953    0.0123177   -0.0551416  134 ALA   A C     
1081 O  O     . ALA   A 135 ? 0.169803  0.188554 0.216047  0.0388312   0.00993547  -0.0378448  134 ALA   A O     
1082 C  CB    . ALA   A 135 ? 0.161655  0.174688 0.172239  0.0258479   0.00826665  -0.0475506  134 ALA   A CB    
1083 N  N     . ARG   A 136 ? 0.197714  0.197034 0.230435  0.043754    0.0184937   -0.0735356  135 ARG   A N     
1084 C  CA    . ARG   A 136 ? 0.216244  0.212632 0.263679  0.058798    0.0263137   -0.0852791  135 ARG   A CA    
1085 C  C     . ARG   A 136 ? 0.231297  0.209235 0.285555  0.0674885   0.0248218   -0.0750311  135 ARG   A C     
1086 O  O     . ARG   A 136 ? 0.232924  0.228623 0.311066  0.0741332   0.021949    -0.0618788  135 ARG   A O     
1087 C  CB    . ARG   A 136 ? 0.261732  0.243705 0.294107  0.0557501   0.0254962   -0.112215   135 ARG   A CB    
1088 C  CG    . ARG   A 136 ? 0.304271  0.285716 0.331821  0.0748558   0.0438094   -0.137289   135 ARG   A CG    
1089 C  CD    . ARG   A 136 ? 0.363656  0.302574 0.355071  0.0970834   0.0707648   -0.189646   135 ARG   A CD    
1090 N  NE    . ARG   A 136 ? 0.430248  0.37744  0.414451  0.0800359   0.0320608   -0.156286   135 ARG   A NE    
1091 C  CZ    . ARG   A 136 ? 0.462323  0.410636 0.486954  0.0515053   0.0332451   -0.160417   135 ARG   A CZ    
1092 N  NH1   . ARG   A 136 ? 0.522954  0.410954 0.485193  0.0839537   0.0263344   -0.178213   135 ARG   A NH1   
1093 N  NH2   . ARG   A 136 ? 0.526261  0.450531 0.56632   0.0497032   0.0449134   -0.115248   135 ARG   A NH2   
1094 N  N     . SER   A 137 ? 0.235121  0.194223 0.288123  0.0682649   0.0187836   -0.0677324  136 SER   A N     
1095 C  CA    . SER   A 137 ? 0.258522  0.199319 0.319938  0.0757098   0.0227569   -0.0455651  136 SER   A CA    
1096 C  C     . SER   A 137 ? 0.230591  0.204259 0.311028  0.0797296   0.0143713   -0.0274806  136 SER   A C     
1097 O  O     . SER   A 137 ? 0.284547  0.236916 0.344009  0.100329    -0.0166501  -0.0151449  136 SER   A O     
1098 C  CB    . SER   A 137 ? 0.272962  0.193344 0.333226  0.0636759   0.0210734   -0.0388445  136 SER   A CB    
1099 O  OG    . SER   A 137 ? 0.269008  0.206764 0.314015  0.0422551   0.0261535   -0.0212475  136 SER   A OG    
1100 N  N     . TYR   A 138 ? 0.214118  0.199096 0.272563  0.0645943   0.0240132   -0.0268162  137 TYR   A N     
1101 C  CA    . TYR   A 138 ? 0.195657  0.218319 0.264264  0.0636225   0.0132845   -0.0166325  137 TYR   A CA    
1102 C  C     . TYR   A 138 ? 0.192291  0.212695 0.271931  0.069407    0.0119084   -0.00918486 137 TYR   A C     
1103 O  O     . TYR   A 138 ? 0.230352  0.2521   0.271994  0.0453046   0.00389502  -0.00142562 137 TYR   A O     
1104 C  CB    . TYR   A 138 ? 0.1865    0.225164 0.23909   0.0455514   0.0163247   -0.0270788  137 TYR   A CB    
1105 C  CG    . TYR   A 138 ? 0.19385   0.243538 0.237206  0.0406907   0.0261841   -0.0366293  137 TYR   A CG    
1106 C  CD1   . TYR   A 138 ? 0.225576  0.258435 0.269797  0.0342493   0.0353811   -0.032519   137 TYR   A CD1   
1107 C  CD2   . TYR   A 138 ? 0.199527  0.262161 0.258411  0.0334586   0.0155081   -0.0359488  137 TYR   A CD2   
1108 C  CE1   . TYR   A 138 ? 0.235161  0.264806 0.278913  0.0291392   0.0423366   -0.0217514  137 TYR   A CE1   
1109 C  CE2   . TYR   A 138 ? 0.208114  0.288156 0.262111  0.0338423   0.0258977   -0.0361481  137 TYR   A CE2   
1110 C  CZ    . TYR   A 138 ? 0.224529  0.290156 0.28253   0.0137977   0.0417224   -0.0342602  137 TYR   A CZ    
1111 O  OH    . TYR   A 138 ? 0.253252  0.36938  0.299863  0.00954326  0.0705391   -0.0238321  137 TYR   A OH    
1112 N  N     . GLY   A 139 ? 0.197353  0.197244 0.274173  0.0744966   0.0246447   -0.0342829  138 GLY   A N     
1113 C  CA    . GLY   A 139 ? 0.182036  0.212091 0.276907  0.0799714   0.025093    -0.0326365  138 GLY   A CA    
1114 C  C     . GLY   A 139 ? 0.168717  0.208725 0.248429  0.0694922   0.0137927   -0.0351995  138 GLY   A C     
1115 O  O     . GLY   A 139 ? 0.182622  0.229604 0.286155  0.0565456   -0.00246657 -0.0100393  138 GLY   A O     
1116 N  N     . ILE   A 140 ? 0.160408  0.188598 0.212017  0.0598096   0.00914363  -0.0500585  139 ILE   A N     
1117 C  CA    . ILE   A 140 ? 0.1585    0.188291 0.192927  0.0486605   0.00335581  -0.042592   139 ILE   A CA    
1118 C  C     . ILE   A 140 ? 0.149414  0.186407 0.17431   0.0382918   0.0164893   -0.0478658  139 ILE   A C     
1119 O  O     . ILE   A 140 ? 0.170995  0.192384 0.182698  0.028782    0.0149997   -0.0580097  139 ILE   A O     
1120 C  CB    . ILE   A 140 ? 0.161123  0.18201  0.190372  0.0534864   -0.00099837 -0.045281   139 ILE   A CB    
1121 C  CG1   . ILE   A 140 ? 0.163799  0.191402 0.172116  0.0541063   0.00175165  -0.0367049  139 ILE   A CG1   
1122 C  CG2   . ILE   A 140 ? 0.158534  0.19414  0.204186  0.060836    -0.0004364  -0.0313891  139 ILE   A CG2   
1123 C  CD1   . ILE   A 140 ? 0.15609   0.20003  0.163261  0.0584756   0.00287769  -0.016336   139 ILE   A CD1   
1124 N  N     . PRO   A 141 ? 0.142819  0.187097 0.174287  0.0318069   0.0269583   -0.0480018  140 PRO   A N     
1125 C  CA    . PRO   A 141 ? 0.146874  0.196715 0.158978  0.0292754   0.0318397   -0.0442601  140 PRO   A CA    
1126 C  C     . PRO   A 141 ? 0.147578  0.184141 0.138476  0.0293911   0.0371802   -0.0381085  140 PRO   A C     
1127 O  O     . PRO   A 141 ? 0.150208  0.174417 0.133034  0.0314037   0.0300657   -0.0358619  140 PRO   A O     
1128 C  CB    . PRO   A 141 ? 0.158963  0.206308 0.163207  0.0204775   0.0377753   -0.0284556  140 PRO   A CB    
1129 C  CG    . PRO   A 141 ? 0.172021  0.213045 0.189577  0.0176093   0.0333531   -0.0366758  140 PRO   A CG    
1130 C  CD    . PRO   A 141 ? 0.157918  0.187453 0.19251   0.0249731   0.0269387   -0.0431339  140 PRO   A CD    
1131 N  N     . PHE   A 142 ? 0.15867   0.194078 0.136245  0.0374679   0.0337031   -0.0447588  141 PHE   A N     
1132 C  CA    . PHE   A 142 ? 0.156955  0.191717 0.134158  0.0404024   0.0278694   -0.0375456  141 PHE   A CA    
1133 C  C     . PHE   A 142 ? 0.161076  0.208203 0.123828  0.0410908   0.0249673   -0.027497   141 PHE   A C     
1134 O  O     . PHE   A 142 ? 0.205676  0.244912 0.129986  0.0550431   0.0356216   -0.0322912  141 PHE   A O     
1135 C  CB    . PHE   A 142 ? 0.17193   0.197688 0.165663  0.0345859   0.0308023   -0.0494872  141 PHE   A CB    
1136 C  CG    . PHE   A 142 ? 0.1723    0.211243 0.165206  0.0242414   0.0100141   -0.0620111  141 PHE   A CG    
1137 C  CD1   . PHE   A 142 ? 0.161729  0.187764 0.159946  0.0141518   0.0034817   -0.0557866  141 PHE   A CD1   
1138 C  CD2   . PHE   A 142 ? 0.204089  0.274242 0.17377   0.0216551   -0.00073611 -0.0640985  141 PHE   A CD2   
1139 C  CE1   . PHE   A 142 ? 0.166161  0.210572 0.174785  0.00819105  0.00885124  -0.0601986  141 PHE   A CE1   
1140 C  CE2   . PHE   A 142 ? 0.206542  0.291488 0.181405  0.0105486   -0.0275844  -0.06597    141 PHE   A CE2   
1141 C  CZ    . PHE   A 142 ? 0.16595   0.252423 0.207368  0.00672963  -0.0224089  -0.0532493  141 PHE   A CZ    
1142 N  N     . ILE   A 143 ? 0.141147  0.20825  0.112294  0.0404713   0.0201501   -0.0130033  142 ILE   A N     
1143 C  CA    . ILE   A 143 ? 0.160016  0.230643 0.113092  0.0443809   0.0110602   0.0011882   142 ILE   A CA    
1144 C  C     . ILE   A 143 ? 0.156728  0.220534 0.10836   0.0365048   0.00191773  -0.0184609  142 ILE   A C     
1145 O  O     . ILE   A 143 ? 0.145716  0.224984 0.109877  0.0221      0.00202779  -0.0207887  142 ILE   A O     
1146 C  CB    . ILE   A 143 ? 0.177597  0.234251 0.183864  0.0285576   0.0093523   0.0350231   142 ILE   A CB    
1147 C  CG1   . ILE   A 143 ? 0.226026  0.306409 0.269376  0.0376441   0.0165987   0.0313114   142 ILE   A CG1   
1148 C  CG2   . ILE   A 143 ? 0.191384  0.264721 0.20008   0.0406238   0.017929    0.0503317   142 ILE   A CG2   
1149 C  CD1   . ILE   A 143 ? 0.290405  0.357423 0.292996  0.0344202   0.0231694   0.00801971  142 ILE   A CD1   
1150 N  N     . GLU   A 144 ? 0.193443  0.234623 0.105369  0.0456253   -0.00703157 -0.0208074  143 GLU   A N     
1151 C  CA    . GLU   A 144 ? 0.194828  0.224784 0.147498  0.0340609   -0.0253719  -0.0346163  143 GLU   A CA    
1152 C  C     . GLU   A 144 ? 0.162378  0.215683 0.131959  0.0309376   -0.0151272  -0.00854559 143 GLU   A C     
1153 O  O     . GLU   A 144 ? 0.193188  0.226505 0.156849  0.0351296   0.00995685  -0.00477302 143 GLU   A O     
1154 C  CB    . GLU   A 144 ? 0.240097  0.273126 0.2112    0.0364295   -0.0757049  -0.0511579  143 GLU   A CB    
1155 C  CG    . GLU   A 144 ? 0.308927  0.289913 0.304141  0.0288057   -0.0854263  -0.0645975  143 GLU   A CG    
1156 C  CD    . GLU   A 144 ? 0.379729  0.372301 0.402458  0.0132871   -0.153569   -0.073523   143 GLU   A CD    
1157 O  OE1   . GLU   A 144 ? 0.407651  0.426427 0.418607  0.038612    -0.186843   -0.0835525  143 GLU   A OE1   
1158 O  OE2   . GLU   A 144 ? 0.404504  0.370503 0.542103  0.0461077   -0.160672   -0.0810591  143 GLU   A OE2   
1159 N  N     . THR   A 145 ? 0.145375  0.183603 0.117501  0.0216284   -0.0112952  -0.00609599 144 THR   A N     
1160 C  CA    . THR   A 145 ? 0.141003  0.184622 0.116374  0.0232474   -0.0123108  0.00192443  144 THR   A CA    
1161 C  C     . THR   A 145 ? 0.136588  0.195412 0.124308  0.0275828   -0.0180873  0.015319    144 THR   A C     
1162 O  O     . THR   A 145 ? 0.135348  0.198135 0.14717   0.0201946   -0.0249119  0.0111852   144 THR   A O     
1163 C  CB    . THR   A 145 ? 0.133352  0.172852 0.109702  0.0172587   -0.0110621  0.00862405  144 THR   A CB    
1164 O  OG1   . THR   A 145 ? 0.130209  0.160691 0.129662  0.0162887   -0.011814   0.0127659   144 THR   A OG1   
1165 C  CG2   . THR   A 145 ? 0.13691   0.174244 0.108828  0.0154859   -0.00607002 0.00853975  144 THR   A CG2   
1166 N  N     . SER   A 146 ? 0.14205   0.203572 0.12321   0.0349855   -0.0110218  0.0298846   145 SER   A N     
1167 C  CA    . SER   A 146 ? 0.138418  0.210798 0.127945  0.0375318   -0.0131558  0.0318272   145 SER   A CA    
1168 C  C     . SER   A 146 ? 0.133221  0.205544 0.118294  0.0413874   -0.0138182  0.0327268   145 SER   A C     
1169 O  O     . SER   A 146 ? 0.161938  0.198873 0.127218  0.0437068   -0.0178009  0.0347787   145 SER   A O     
1170 C  CB    . SER   A 146 ? 0.141648  0.242157 0.141872  0.0457658   -0.0211204  0.0336161   145 SER   A CB    
1171 O  OG    . SER   A 146 ? 0.133585  0.24986  0.151851  0.0507298   -0.0202591  0.039741    145 SER   A OG    
1172 N  N     . ALA   A 147 ? 0.162849  0.203154 0.119142  0.0295791   -0.0141869  0.0257085   146 ALA   A N     
1173 C  CA    . ALA   A 147 ? 0.168718  0.201879 0.128782  0.0294401   -0.00187037 0.0276487   146 ALA   A CA    
1174 C  C     . ALA   A 147 ? 0.169286  0.220804 0.14706   0.0401862   -0.00459361 0.0304653   146 ALA   A C     
1175 O  O     . ALA   A 147 ? 0.199703  0.223985 0.179904  0.0389709   -0.0171596  0.0368153   146 ALA   A O     
1176 C  CB    . ALA   A 147 ? 0.179494  0.210139 0.130173  0.0243033   -0.00437811 0.0276505   146 ALA   A CB    
1177 N  N     . LYS   A 148 ? 0.163496  0.227248 0.144193  0.046095    -0.00846313 0.0217646   147 LYS   A N     
1178 C  CA    . LYS   A 148 ? 0.156492  0.24452  0.172001  0.0600411   -0.0059518  0.0253411   147 LYS   A CA    
1179 C  C     . LYS   A 148 ? 0.168356  0.253326 0.171373  0.0665626   -0.0168156  0.0382527   147 LYS   A C     
1180 O  O     . LYS   A 148 ? 0.205699  0.259175 0.185507  0.0820327   -0.00233271 0.0551761   147 LYS   A O     
1181 C  CB    . LYS   A 148 ? 0.161862  0.274899 0.203824  0.0516537   -0.0105616  0.0186433   147 LYS   A CB    
1182 C  CG    . LYS   A 148 ? 0.182745  0.317206 0.252793  0.0637946   -0.0156919  0.0359477   147 LYS   A CG    
1183 C  CD    . LYS   A 148 ? 0.192791  0.356143 0.307879  0.0503589   -0.0286987  0.036734    147 LYS   A CD    
1184 C  CE    . LYS   A 148 ? 0.216687  0.419781 0.373732  0.0614763   -0.0423441  0.0546119   147 LYS   A CE    
1185 N  NZ    . LYS   A 148 ? 0.272661  0.464148 0.42414   0.0328667   -0.0487095  0.0466979   147 LYS   A NZ    
1186 N  N     . THR   A 149 ? 0.152541  0.246601 0.158159  0.0570701   -0.0255977  0.037307    148 THR   A N     
1187 C  CA    . THR   A 149 ? 0.170427  0.257524 0.159265  0.0618809   -0.0346193  0.0508723   148 THR   A CA    
1188 C  C     . THR   A 149 ? 0.175031  0.241568 0.151411  0.0621348   -0.0269199  0.0446493   148 THR   A C     
1189 O  O     . THR   A 149 ? 0.184459  0.257727 0.154845  0.0559845   -0.0307218  0.0541135   148 THR   A O     
1190 C  CB    . THR   A 149 ? 0.172261  0.282911 0.156862  0.0574771   -0.0455259  0.0465388   148 THR   A CB    
1191 O  OG1   . THR   A 149 ? 0.172084  0.259036 0.135169  0.0515052   -0.0448388  0.0335451   148 THR   A OG1   
1192 C  CG2   . THR   A 149 ? 0.172869  0.30487  0.169768  0.0550205   -0.0560055  0.0495515   148 THR   A CG2   
1193 N  N     . ARG   A 150 ? 0.164227  0.221641 0.131935  0.0597211   -0.0149867  0.032462    149 ARG   A N     
1194 C  CA    . ARG   A 150 ? 0.166479  0.209764 0.125016  0.0551517   -0.0201997  0.0365099   149 ARG   A CA    
1195 C  C     . ARG   A 150 ? 0.156537  0.207449 0.120061  0.0496281   -0.0172183  0.0393437   149 ARG   A C     
1196 O  O     . ARG   A 150 ? 0.159068  0.220461 0.126443  0.0411365   -0.00371821 0.0262403   149 ARG   A O     
1197 C  CB    . ARG   A 150 ? 0.18445   0.214613 0.146796  0.0571459   -0.0288719  0.0533906   149 ARG   A CB    
1198 C  CG    . ARG   A 150 ? 0.200206  0.222817 0.162508  0.0467517   -0.0376741  0.0449003   149 ARG   A CG    
1199 C  CD    . ARG   A 150 ? 0.247942  0.241143 0.22465   0.052016    -0.0576282  0.0716366   149 ARG   A CD    
1200 N  NE    . ARG   A 150 ? 0.2868    0.289192 0.231905  0.040779    -0.0594844  0.0619115   149 ARG   A NE    
1201 C  CZ    . ARG   A 150 ? 0.262391  0.270703 0.213492  0.0360913   -0.0511796  0.06617     149 ARG   A CZ    
1202 N  NH1   . ARG   A 150 ? 0.28783   0.262551 0.225057  0.0386446   -0.0675262  0.0319847   149 ARG   A NH1   
1203 N  NH2   . ARG   A 150 ? 0.370926  0.278531 0.214455  0.0258177   -0.0576534  0.0466451   149 ARG   A NH2   
1204 N  N     . GLN   A 151 ? 0.143537  0.213835 0.12651   0.0519482   -0.0169134  0.0335278   150 GLN   A N     
1205 C  CA    . GLN   A 151 ? 0.146601  0.225446 0.125623  0.0541693   -0.0160284  0.0290279   150 GLN   A CA    
1206 C  C     . GLN   A 151 ? 0.148206  0.203599 0.119756  0.0413014   -0.0146209  0.030874    150 GLN   A C     
1207 O  O     . GLN   A 151 ? 0.14187   0.189305 0.129561  0.0326673   -0.0152562  0.0330497   150 GLN   A O     
1208 C  CB    . GLN   A 151 ? 0.159221  0.251567 0.144873  0.0548971   -0.0249227  0.0114469   150 GLN   A CB    
1209 C  CG    . GLN   A 151 ? 0.187547  0.283346 0.187238  0.0632911   -0.0160933  -0.0197066  150 GLN   A CG    
1210 C  CD    . GLN   A 151 ? 0.248567  0.330902 0.250116  0.0482942   -0.0140202  -0.0520678  150 GLN   A CD    
1211 O  OE1   . GLN   A 151 ? 0.265648  0.357544 0.322239  0.053243    -0.0274812  -0.0600923  150 GLN   A OE1   
1212 N  NE2   . GLN   A 151 ? 0.326781  0.334244 0.320057  0.0584331   0.0188436   -0.0659346  150 GLN   A NE2   
1213 N  N     . GLY   A 152 ? 0.151597  0.208987 0.110094  0.038128    -0.00931826 0.035679    151 GLY   A N     
1214 C  CA    . GLY   A 152 ? 0.148436  0.197861 0.120436  0.0360516   -0.00733627 0.0291574   151 GLY   A CA    
1215 C  C     . GLY   A 152 ? 0.13364   0.195549 0.124781  0.0264539   -0.00944913 0.0384416   151 GLY   A C     
1216 O  O     . GLY   A 152 ? 0.128936  0.196212 0.141584  0.0242712   -0.0151559  0.0367269   151 GLY   A O     
1217 N  N     . VAL   A 153 ? 0.130957  0.206174 0.107429  0.0311012   -0.0139435  0.0445134   152 VAL   A N     
1218 C  CA    . VAL   A 153 ? 0.136384  0.198373 0.114282  0.0258202   -0.0149746  0.0335116   152 VAL   A CA    
1219 C  C     . VAL   A 153 ? 0.139122  0.187094 0.115836  0.0227862   -0.00703351 0.0349366   152 VAL   A C     
1220 O  O     . VAL   A 153 ? 0.134027  0.175264 0.122487  0.0194013   -0.00669292 0.0331984   152 VAL   A O     
1221 C  CB    . VAL   A 153 ? 0.140712  0.21893  0.126397  0.0334268   -0.0150444  0.0316992   152 VAL   A CB    
1222 C  CG1   . VAL   A 153 ? 0.151674  0.237723 0.140138  0.0378424   -0.0113053  0.00881213  152 VAL   A CG1   
1223 C  CG2   . VAL   A 153 ? 0.140887  0.227121 0.132547  0.0393265   -0.0143631  0.0420134   152 VAL   A CG2   
1224 N  N     . ASP   A 154 ? 0.151042  0.201691 0.128238  0.0208657   -0.0196654  0.054481    153 ASP   A N     
1225 C  CA    . ASP   A 154 ? 0.157942  0.205685 0.150347  0.0126947   -0.00520889 0.0591307   153 ASP   A CA    
1226 C  C     . ASP   A 154 ? 0.148168  0.199095 0.141164  0.00878006  0.0003938   0.0570882   153 ASP   A C     
1227 O  O     . ASP   A 154 ? 0.148161  0.191804 0.161885  -0.00277829 -0.0176119  0.046356    153 ASP   A O     
1228 C  CB    . ASP   A 154 ? 0.187353  0.224661 0.181307  0.0048132   -0.00406906 0.0718923   153 ASP   A CB    
1229 C  CG    . ASP   A 154 ? 0.246464  0.236939 0.214478  0.01673     -0.0226333  0.0662421   153 ASP   A CG    
1230 O  OD1   . ASP   A 154 ? 0.25532   0.243819 0.26073   0.0333272   0.0250207   0.0493897   153 ASP   A OD1   
1231 O  OD2   . ASP   A 154 ? 0.371047  0.27097  0.289566  0.0159849   -0.011589   0.108019    153 ASP   A OD2   
1232 N  N     . ASP   A 155 ? 0.135777  0.218058 0.131613  0.0243025   0.00229747  0.0476811   154 ASP   A N     
1233 C  CA    A ASP   A 155 ? 0.133937  0.230283 0.128546  0.0274544   0.00640722  0.02758     154 ASP   A CA    
1234 C  CA    B ASP   A 155 ? 0.135847  0.232995 0.137053  0.0297536   0.00640141  0.0342445   154 ASP   A CA    
1235 C  C     . ASP   A 155 ? 0.116511  0.203176 0.118081  0.0228672   0.00148037  0.0120702   154 ASP   A C     
1236 O  O     . ASP   A 155 ? 0.124277  0.201449 0.124177  0.0280513   -0.00524856 0.0112732   154 ASP   A O     
1237 C  CB    A ASP   A 155 ? 0.155996  0.262922 0.123661  0.0383537   2.949e-05   0.0144442   154 ASP   A CB    
1238 C  CB    B ASP   A 155 ? 0.16912   0.280474 0.142911  0.0417613   -0.00133281 0.027917    154 ASP   A CB    
1239 C  CG    A ASP   A 155 ? 0.183672  0.295022 0.133953  0.0414355   0.0134174   -0.00784086 154 ASP   A CG    
1240 C  CG    B ASP   A 155 ? 0.217699  0.328081 0.179211  0.0542906   0.00249063  0.0531619   154 ASP   A CG    
1241 O  OD1   A ASP   A 155 ? 0.194411  0.304224 0.141264  0.0575074   0.0173146   -0.0188835  154 ASP   A OD1   
1242 O  OD1   B ASP   A 155 ? 0.27779   0.357994 0.233146  0.0465413   0.00291362  0.0688402   154 ASP   A OD1   
1243 O  OD2   A ASP   A 155 ? 0.238868  0.321792 0.187546  0.033183    0.011509    -0.0380076  154 ASP   A OD2   
1244 O  OD2   B ASP   A 155 ? 0.295042  0.41077  0.230417  0.0716439   -0.0115624  0.0161761   154 ASP   A OD2   
1245 N  N     . ALA   A 156 ? 0.11248   0.197096 0.113249  0.023715    -0.00702806 0.0220344   155 ALA   A N     
1246 C  CA    . ALA   A 156 ? 0.11711   0.169892 0.110954  0.0211396   -0.00251812 0.0121299   155 ALA   A CA    
1247 C  C     . ALA   A 156 ? 0.112594  0.158393 0.106107  0.0223841   0.00589438  0.00694385  155 ALA   A C     
1248 O  O     . ALA   A 156 ? 0.116895  0.153737 0.103162  0.0168204   -0.00150923 0.00763504  155 ALA   A O     
1249 C  CB    . ALA   A 156 ? 0.122284  0.172115 0.120684  0.0120151   -0.00320558 0.00717884  155 ALA   A CB    
1250 N  N     . PHE   A 157 ? 0.123008  0.152481 0.110061  0.0205944   0.0076128   0.013557    156 PHE   A N     
1251 C  CA    . PHE   A 157 ? 0.118561  0.149136 0.105266  0.0117754   0.0103812   0.00655068  156 PHE   A CA    
1252 C  C     . PHE   A 157 ? 0.121792  0.158711 0.115547  0.00629476  0.00663218  0.00717519  156 PHE   A C     
1253 O  O     . PHE   A 157 ? 0.116771  0.167198 0.114832  0.00275256  -0.00219335 -0.00043856 156 PHE   A O     
1254 C  CB    . PHE   A 157 ? 0.12302   0.156378 0.11752   0.00679204  0.00748271  0.00163371  156 PHE   A CB    
1255 C  CG    . PHE   A 157 ? 0.131756  0.161604 0.110247  0.017289    0.00813417  0.0100136   156 PHE   A CG    
1256 C  CD1   . PHE   A 157 ? 0.148594  0.16377  0.110598  0.014229    -0.00177402 0.00230079  156 PHE   A CD1   
1257 C  CD2   . PHE   A 157 ? 0.140488  0.169571 0.106595  0.0135831   0.0007212   0.00198407  156 PHE   A CD2   
1258 C  CE1   . PHE   A 157 ? 0.164894  0.180542 0.0999545 0.0149255   0.00525851  0.00015821  156 PHE   A CE1   
1259 C  CE2   . PHE   A 157 ? 0.135402  0.178112 0.119102  0.0188619   0.00500026  -0.00448843 156 PHE   A CE2   
1260 C  CZ    . PHE   A 157 ? 0.15754   0.166274 0.116333  0.0251774   0.0210013   -0.00523075 156 PHE   A CZ    
1261 N  N     . TYR   A 158 ? 0.116694  0.163405 0.114774  0.00676579  0.0127904   0.013056    157 TYR   A N     
1262 C  CA    . TYR   A 158 ? 0.119555  0.18009  0.13272   -0.00086185 0.0184058   0.0221678   157 TYR   A CA    
1263 C  C     . TYR   A 158 ? 0.113258  0.189605 0.118835  0.00493159  0.0104125   0.018909    157 TYR   A C     
1264 O  O     . TYR   A 158 ? 0.110126  0.208895 0.117015  0.00495397  0.0124823   0.0249979   157 TYR   A O     
1265 C  CB    . TYR   A 158 ? 0.139258  0.194869 0.150962  -0.00019792 0.0242573   0.0346131   157 TYR   A CB    
1266 C  CG    . TYR   A 158 ? 0.153043  0.185166 0.206114  -0.00941985 0.0297902   0.0529433   157 TYR   A CG    
1267 C  CD1   . TYR   A 158 ? 0.181559  0.180124 0.242883  0.00420088  0.0297777   0.0495756   157 TYR   A CD1   
1268 C  CD2   . TYR   A 158 ? 0.201686  0.222936 0.237457  0.0067131   0.0353847   0.070077    157 TYR   A CD2   
1269 C  CE1   . TYR   A 158 ? 0.207717  0.178818 0.302095  0.00310753  0.0528836   0.0597898   157 TYR   A CE1   
1270 C  CE2   . TYR   A 158 ? 0.23373   0.221468 0.297577  0.010295    0.0453468   0.0928136   157 TYR   A CE2   
1271 C  CZ    . TYR   A 158 ? 0.222972  0.20756  0.335511  0.0279975   0.0513497   0.0948374   157 TYR   A CZ    
1272 O  OH    . TYR   A 158 ? 0.276834  0.213476 0.480126  0.041753    0.0781522   0.102024    157 TYR   A OH    
1273 N  N     . THR   A 159 ? 0.0970899 0.188239 0.104215  0.0130489   0.00735965  0.0126053   158 THR   A N     
1274 C  CA    . THR   A 159 ? 0.113628  0.19075  0.103021  0.0227489   0.0107757   0.00619205  158 THR   A CA    
1275 C  C     . THR   A 159 ? 0.10709   0.177828 0.103422  0.0180603   0.0142141   0.00877997  158 THR   A C     
1276 O  O     . THR   A 159 ? 0.112761  0.190733 0.120678  0.0267456   0.00960964  0.00441708  158 THR   A O     
1277 C  CB    . THR   A 159 ? 0.136218  0.183214 0.113768  0.0262205   0.00145874  -0.00072685 158 THR   A CB    
1278 O  OG1   . THR   A 159 ? 0.171028  0.217642 0.114177  0.0292455   -0.00816169 0.00141716  158 THR   A OG1   
1279 C  CG2   . THR   A 159 ? 0.146796  0.198223 0.128618  0.0430151   0.00363852  -0.0134883  158 THR   A CG2   
1280 N  N     . LEU   A 160 ? 0.0992343 0.1623   0.090742  0.0116468   0.00871089  0.00632818  159 LEU   A N     
1281 C  CA    . LEU   A 160 ? 0.103601  0.158071 0.093623  0.0180876   0.00678589  0.00619102  159 LEU   A CA    
1282 C  C     . LEU   A 160 ? 0.10839   0.174523 0.101036  0.0113632   0.00513812  0.00591163  159 LEU   A C     
1283 O  O     . LEU   A 160 ? 0.107161  0.173396 0.115436  0.0120472   0.0007417   0.00650373  159 LEU   A O     
1284 C  CB    . LEU   A 160 ? 0.106813  0.153555 0.0947624 0.012338    0.00945875  0.00894982  159 LEU   A CB    
1285 C  CG    . LEU   A 160 ? 0.116494  0.161039 0.0986934 0.0145706   0.00295506  0.00557151  159 LEU   A CG    
1286 C  CD1   . LEU   A 160 ? 0.133713  0.166887 0.108052  0.020309    -0.00206384 0.00825231  159 LEU   A CD1   
1287 C  CD2   . LEU   A 160 ? 0.12485   0.163499 0.087247  0.0150207   0.0014354   0.00106948  159 LEU   A CD2   
1288 N  N     . VAL   A 161 ? 0.105474  0.172922 0.102089  0.00120904  0.00470644  0.00210418  160 VAL   A N     
1289 C  CA    . VAL   A 161 ? 0.110616  0.184737 0.113019  -0.0086416  -0.00187603 0.0087885   160 VAL   A CA    
1290 C  C     . VAL   A 161 ? 0.113079  0.215108 0.12365   -0.00016879 0.00218974  0.0133255   160 VAL   A C     
1291 O  O     . VAL   A 161 ? 0.110933  0.226585 0.13388   -0.007104   -0.00566511 0.0163448   160 VAL   A O     
1292 C  CB    . VAL   A 161 ? 0.130279  0.184564 0.120177  -0.0160305  0.00296378  0.0141809   160 VAL   A CB    
1293 C  CG1   . VAL   A 161 ? 0.142716  0.209824 0.156678  -0.0274675  -0.00140622 0.0207086   160 VAL   A CG1   
1294 C  CG2   . VAL   A 161 ? 0.146836  0.174214 0.120117  -0.0191952  0.00664111  0.00929921  160 VAL   A CG2   
1295 N  N     . ARG   A 162 ? 0.104482  0.215226 0.121879  0.00429472  0.00865096  0.00988124  161 ARG   A N     
1296 C  CA    . ARG   A 162 ? 0.111975  0.246933 0.134337  0.011867    0.0206255   0.0145701   161 ARG   A CA    
1297 C  C     . ARG   A 162 ? 0.111556  0.249782 0.142418  0.0259749   0.0134662   0.00930932  161 ARG   A C     
1298 O  O     . ARG   A 162 ? 0.112383  0.269943 0.172143  0.0301129   0.0231966   0.0202884   161 ARG   A O     
1299 C  CB    . ARG   A 162 ? 0.121241  0.259182 0.129197  0.0141592   0.0300716   0.0131555   161 ARG   A CB    
1300 C  CG    . ARG   A 162 ? 0.145537  0.266757 0.125571  -0.00615265 0.0306977   0.0273482   161 ARG   A CG    
1301 C  CD    . ARG   A 162 ? 0.201475  0.287828 0.137847  -0.00728277 0.0162417   0.0283204   161 ARG   A CD    
1302 N  NE    . ARG   A 162 ? 0.221456  0.30638  0.144154  -0.0205263  0.0271032   0.0459012   161 ARG   A NE    
1303 C  CZ    . ARG   A 162 ? 0.221124  0.317979 0.174685  -0.00595674 0.0364578   0.0240397   161 ARG   A CZ    
1304 N  NH1   . ARG   A 162 ? 0.236066  0.314821 0.195081  -0.00609657 0.0424929   -0.0142198  161 ARG   A NH1   
1305 N  NH2   . ARG   A 162 ? 0.250266  0.324841 0.199388  -0.0216663  0.00969806  0.0217109   161 ARG   A NH2   
1306 N  N     . GLU   A 163 ? 0.105109  0.223791 0.137937  0.0316089   0.00322347  0.00203905  162 GLU   A N     
1307 C  CA    . GLU   A 163 ? 0.1153    0.226069 0.153764  0.0402684   0.00367349  0.00357627  162 GLU   A CA    
1308 C  C     . GLU   A 163 ? 0.111819  0.226214 0.153187  0.0328729   0.00300565  0.0106976   162 GLU   A C     
1309 O  O     . GLU   A 163 ? 0.131699  0.239359 0.17358   0.0439736   -0.0055587  0.0104933   162 GLU   A O     
1310 C  CB    . GLU   A 163 ? 0.12761   0.209017 0.158336  0.0381539   0.00049443  -0.00648185 162 GLU   A CB    
1311 C  CG    . GLU   A 163 ? 0.144106  0.221692 0.168169  0.0366449   -0.00748    -0.0130719  162 GLU   A CG    
1312 C  CD    . GLU   A 163 ? 0.171281  0.251524 0.201196  0.0424725   0.0056223   -0.02689    162 GLU   A CD    
1313 O  OE1   . GLU   A 163 ? 0.204676  0.243829 0.23418   0.0477556   0.0125043   -0.0238034  162 GLU   A OE1   
1314 O  OE2   . GLU   A 163 ? 0.254003  0.292414 0.225929  0.0370956   0.0234738   -0.0234529  162 GLU   A OE2   
1315 N  N     . ILE   A 164 ? 0.101384  0.217803 0.140283  0.0236024   -0.00116696 0.0177573   163 ILE   A N     
1316 C  CA    . ILE   A 164 ? 0.103098  0.231247 0.141866  0.0174198   -0.0102005  0.0308229   163 ILE   A CA    
1317 C  C     . ILE   A 164 ? 0.106387  0.269216 0.161136  0.0159179   -0.00755918 0.0398057   163 ILE   A C     
1318 O  O     . ILE   A 164 ? 0.103039  0.289964 0.178277  0.0283234   -0.00424908 0.0469866   163 ILE   A O     
1319 C  CB    . ILE   A 164 ? 0.112679  0.218333 0.138212  0.00293538  -0.00846546 0.0272915   163 ILE   A CB    
1320 C  CG1   . ILE   A 164 ? 0.120454  0.194542 0.126546  0.0086154   -0.00115152 0.0185927   163 ILE   A CG1   
1321 C  CG2   . ILE   A 164 ? 0.122651  0.238118 0.157889  -0.0109533  -0.0200212  0.0267571   163 ILE   A CG2   
1322 C  CD1   . ILE   A 164 ? 0.132698  0.18362  0.129171  0.00682271  -0.0035901  0.0180548   163 ILE   A CD1   
1323 N  N     . ARG   A 165 ? 0.105788  0.281616 0.159566  0.012342    -0.00022665 0.0447076   164 ARG   A N     
1324 C  CA    . ARG   A 165 ? 0.112044  0.318862 0.182366  0.0080439   0.00255865  0.0527582   164 ARG   A CA    
1325 C  C     . ARG   A 165 ? 0.124508  0.346558 0.199919  0.0292405   0.0146708   0.053605    164 ARG   A C     
1326 O  O     . ARG   A 165 ? 0.119878  0.368809 0.210841  0.0322448   0.0129325   0.0562561   164 ARG   A O     
1327 C  CB    . ARG   A 165 ? 0.125878  0.328994 0.185023  0.00529277  0.00633197  0.0553472   164 ARG   A CB    
1328 C  CG    . ARG   A 165 ? 0.136516  0.315386 0.206459  -0.015453   -0.00995788 0.058678    164 ARG   A CG    
1329 C  CD    . ARG   A 165 ? 0.170967  0.336263 0.225108  -0.0205233  -0.0102021  0.0692877   164 ARG   A CD    
1330 N  NE    . ARG   A 165 ? 0.192597  0.33006  0.251342  -0.0278373  -0.0251989  0.0728587   164 ARG   A NE    
1331 C  CZ    . ARG   A 165 ? 0.188409  0.328383 0.236386  -0.0457722  -0.0126686  0.0812629   164 ARG   A CZ    
1332 N  NH1   . ARG   A 165 ? 0.190587  0.344715 0.224763  -0.0458019  0.00637625  0.082773    164 ARG   A NH1   
1333 N  NH2   . ARG   A 165 ? 0.214481  0.310341 0.254195  -0.0568305  -0.00441126 0.0941029   164 ARG   A NH2   
1334 N  N     . LYS   A 166 ? 0.1338    0.335329 0.19307   0.052102    0.0242769   0.0390316   165 LYS   A N     
1335 C  CA    . LYS   A 166 ? 0.14975   0.365445 0.226018  0.0738502   0.0446243   0.0306753   165 LYS   A CA    
1336 C  C     . LYS   A 166 ? 0.135748  0.36011  0.235732  0.0719299   0.0352219   0.037936    165 LYS   A C     
1337 O  O     . LYS   A 166 ? 0.143512  0.402297 0.268036  0.0815937   0.0379034   0.0389224   165 LYS   A O     
1338 C  CB    . LYS   A 166 ? 0.18849   0.367063 0.25209   0.0881076   0.0440785   0.00433216  165 LYS   A CB    
1339 C  CG    . LYS   A 166 ? 0.249517  0.424462 0.266784  0.0808658   0.0492466   0.00190599  165 LYS   A CG    
1340 C  CD    . LYS   A 166 ? 0.335995  0.459623 0.323625  0.0615874   0.0281767   -0.025796   165 LYS   A CD    
1341 C  CE    . LYS   A 166 ? 0.383971  0.481311 0.373603  0.05946     0.0164767   -0.0205349  165 LYS   A CE    
1342 N  NZ    . LYS   A 166 ? 0.369878  0.536293 0.373889  0.0639422   0.0304717   -0.0468105  165 LYS   A NZ    
1343 N  N     . HIS   A 167 ? 0.130403  0.32666  0.214862  0.064351    0.0236977   0.0432274   166 HIS   A N     
1344 C  CA    . HIS   A 167 ? 0.130427  0.317308 0.229709  0.0583013   0.019322    0.0541083   166 HIS   A CA    
1345 C  C     . HIS   A 167 ? 0.119255  0.33522  0.239729  0.051771    0.0169655   0.067402    166 HIS   A C     
1346 O  O     . HIS   A 167 ? 0.129147  0.351314 0.265562  0.0589181   0.0165127   0.0820062   166 HIS   A O     
1347 C  CB    . HIS   A 167 ? 0.135112  0.305449 0.227425  0.0524382   0.0198029   0.0477894   166 HIS   A CB    
1348 C  CG    . HIS   A 167 ? 0.164061  0.334669 0.252304  0.0417921   0.0083895   0.0653629   166 HIS   A CG    
1349 N  ND1   . HIS   A 167 ? 0.233881  0.373765 0.26065   0.0048148   0.00055837  0.073781    166 HIS   A ND1   
1350 C  CD2   . HIS   A 167 ? 0.218196  0.341249 0.298035  0.0401947   0.0080769   0.0607958   166 HIS   A CD2   
1351 C  CE1   . HIS   A 167 ? 0.258157  0.387929 0.278149  0.00505956  -0.020926   0.0862988   166 HIS   A CE1   
1352 N  NE2   . HIS   A 167 ? 0.261399  0.37534  0.307926  0.0333207   0.00139073  0.0791706   166 HIS   A NE2   
1353 N  N     . LYS   A 168 ? 0.120417  0.334399 0.22716   0.0412509   0.00857327  0.0700099   167 LYS   A N     
1354 C  CA    . LYS   A 168 ? 0.130783  0.36203  0.246307  0.0228221   -0.00031668 0.0794429   167 LYS   A CA    
1355 C  C     . LYS   A 168 ? 0.125889  0.38946  0.278455  0.0268006   0.00321437  0.0899113   167 LYS   A C     
1356 O  O     . LYS   A 168 ? 0.123778  0.420393 0.305257  0.0170295   -0.00435974 0.101068    167 LYS   A O     
1357 C  CB    . LYS   A 168 ? 0.152036  0.357932 0.239147  0.0103635   -0.00683314 0.0712277   167 LYS   A CB    
1358 C  CG    . LYS   A 168 ? 0.172702  0.342588 0.223633  0.00877207  -0.0128802  0.0578809   167 LYS   A CG    
1359 C  CD    . LYS   A 168 ? 0.209225  0.342986 0.232591  -0.00288137 -0.0146029  0.0566426   167 LYS   A CD    
1360 C  CE    . LYS   A 168 ? 0.217457  0.32536  0.232754  -0.00599013 -0.0210121  0.0419297   167 LYS   A CE    
1361 N  NZ    . LYS   A 168 ? 0.243805  0.324784 0.246233  -0.0149295  -0.0364169  0.0332968   167 LYS   A NZ    
1362 N  N     . GLU   A 169 ? 0.124028  0.38287  0.278391  0.035204    0.0187468   0.0854568   168 GLU   A N     
1363 C  CA    A GLU   A 169 ? 0.125305  0.422525 0.312844  0.0383215   0.0302973   0.0901318   168 GLU   A CA    
1364 C  CA    B GLU   A 169 ? 0.124881  0.418607 0.310461  0.0371291   0.0320672   0.0874827   168 GLU   A CA    
1365 C  C     . GLU   A 169 ? 0.121181  0.431282 0.334188  0.0496433   0.0316378   0.0931347   168 GLU   A C     
1366 O  O     . GLU   A 169 ? 0.109632  0.463431 0.366414  0.0514955   0.0330382   0.100434    168 GLU   A O     
1367 C  CB    A GLU   A 169 ? 0.140634  0.431825 0.30678   0.0452346   0.048966    0.083225    168 GLU   A CB    
1368 C  CB    B GLU   A 169 ? 0.138796  0.418754 0.301824  0.0464781   0.0510613   0.0710434   168 GLU   A CB    
1369 C  CG    A GLU   A 169 ? 0.161433  0.420596 0.298347  0.0305553   0.0448336   0.0839072   168 GLU   A CG    
1370 C  CG    B GLU   A 169 ? 0.156505  0.416444 0.289286  0.0316642   0.0539155   0.0685189   168 GLU   A CG    
1371 C  CD    A GLU   A 169 ? 0.165225  0.446719 0.313835  0.0196898   0.0492801   0.0934704   168 GLU   A CD    
1372 C  CD    B GLU   A 169 ? 0.174489  0.421583 0.277811  0.0351054   0.0666586   0.0573757   168 GLU   A CD    
1373 O  OE1   A GLU   A 169 ? 0.183617  0.457862 0.332443  -0.00120309 0.027656    0.0973254   168 GLU   A OE1   
1374 O  OE1   B GLU   A 169 ? 0.197349  0.429582 0.283583  0.0300219   0.0556719   0.0602702   168 GLU   A OE1   
1375 O  OE2   A GLU   A 169 ? 0.178305  0.462876 0.328473  0.0375883   0.0630338   0.0822399   168 GLU   A OE2   
1376 O  OE2   B GLU   A 169 ? 0.186825  0.424499 0.27278   0.0419437   0.0685311   0.0456236   168 GLU   A OE2   
1377 N  N     . LYS   A 170 ? 0.114671  0.39944  0.325576  0.0534269   0.0268792   0.0854487   169 LYS   A N     
1378 C  CA    . LYS   A 170 ? 0.120184  0.405268 0.352487  0.0654955   0.0326626   0.0914228   169 LYS   A CA    
1379 C  C     . LYS   A 170 ? 0.108611  0.443536 0.388163  0.057411    0.0194963   0.11139     169 LYS   A C     
1380 O  O     . LYS   A 170 ? 0.124867  0.471293 0.426975  0.0699619   0.0356743   0.113056    169 LYS   A O     
1381 C  CB    . LYS   A 170 ? 0.143973  0.371262 0.336432  0.064658    0.0340361   0.081201    169 LYS   A CB    
1382 P  PB    . GDP   B .   ? 0.137875  0.148456 0.153051  0.0273898   0.0394907   0.0209705   201 GDP   A PB    
1383 O  O1B   . GDP   B .   ? 0.146501  0.136604 0.1321    0.021304    0.0263119   0.0129462   201 GDP   A O1B   
1384 O  O2B   . GDP   B .   ? 0.153151  0.157138 0.190884  0.0186389   0.0554717   0.0239218   201 GDP   A O2B   
1385 O  O3B   . GDP   B .   ? 0.162658  0.13815  0.149598  0.0389468   0.0329223   0.00977693  201 GDP   A O3B   
1386 O  O3A   . GDP   B .   ? 0.13674   0.17514  0.176207  0.0373795   0.0224974   0.0275187   201 GDP   A O3A   
1387 P  PA    . GDP   B .   ? 0.1659    0.176853 0.158467  0.0501501   0.033608    0.0178249   201 GDP   A PA    
1388 O  O1A   . GDP   B .   ? 0.189547  0.173506 0.162634  0.0219407   0.0277603   0.00638831  201 GDP   A O1A   
1389 O  O2A   . GDP   B .   ? 0.186254  0.242903 0.177689  0.0679204   0.055014    0.0140321   201 GDP   A O2A   
1390 O  "O5'" . GDP   B .   ? 0.164112  0.209509 0.163065  0.0353986   0.0248611   0.0259451   201 GDP   A "O5'" 
1391 C  "C5'" . GDP   B .   ? 0.147649  0.224146 0.177083  0.0493893   0.046334    0.0370529   201 GDP   A "C5'" 
1392 C  "C4'" . GDP   B .   ? 0.159604  0.274484 0.198136  0.0581793   0.0350899   0.0335604   201 GDP   A "C4'" 
1393 O  "O4'" . GDP   B .   ? 0.149016  0.253694 0.191412  0.0479873   0.0261308   0.0271694   201 GDP   A "O4'" 
1394 C  "C3'" . GDP   B .   ? 0.19199   0.295869 0.225639  0.0809211   0.0434072   0.0400954   201 GDP   A "C3'" 
1395 O  "O3'" . GDP   B .   ? 0.179078  0.387227 0.28601   0.0991388   0.0699012   0.0598614   201 GDP   A "O3'" 
1396 C  "C2'" . GDP   B .   ? 0.208856  0.277105 0.216759  0.0946316   0.0366376   0.0379398   201 GDP   A "C2'" 
1397 O  "O2'" . GDP   B .   ? 0.26347   0.312127 0.242543  0.131841    0.0357609   0.0510257   201 GDP   A "O2'" 
1398 C  "C1'" . GDP   B .   ? 0.166255  0.277897 0.207766  0.0727549   0.0198977   0.0329764   201 GDP   A "C1'" 
1399 N  N9    . GDP   B .   ? 0.155135  0.251561 0.167664  0.0759762   0.0105707   0.0137706   201 GDP   A N9    
1400 C  C8    . GDP   B .   ? 0.159967  0.224921 0.160328  0.0634345   0.00685949  0.0143865   201 GDP   A C8    
1401 N  N7    . GDP   B .   ? 0.146428  0.207155 0.14602   0.0659334   -0.00077894 0.0112131   201 GDP   A N7    
1402 C  C5    . GDP   B .   ? 0.147102  0.226744 0.145312  0.0602917   -0.00109082 0.0232572   201 GDP   A C5    
1403 C  C6    . GDP   B .   ? 0.1389    0.222734 0.143022  0.0443361   -0.00305413 0.0242194   201 GDP   A C6    
1404 O  O6    . GDP   B .   ? 0.141422  0.212584 0.147226  0.0264945   0.00226993  0.0165586   201 GDP   A O6    
1405 N  N1    . GDP   B .   ? 0.132573  0.26373  0.143484  0.050613    -0.0069813  0.0323425   201 GDP   A N1    
1406 C  C2    . GDP   B .   ? 0.132683  0.29683  0.170971  0.0604526   -0.00798633 0.0320755   201 GDP   A C2    
1407 N  N2    . GDP   B .   ? 0.145212  0.359233 0.193509  0.0606872   -0.0218231  0.0231985   201 GDP   A N2    
1408 N  N3    . GDP   B .   ? 0.144446  0.302057 0.176051  0.0717474   -0.00303396 0.0260935   201 GDP   A N3    
1409 C  C4    . GDP   B .   ? 0.151478  0.262978 0.164183  0.0643054   0.00188492  0.0235337   201 GDP   A C4    
1410 C  C1    . A1BEJ C .   ? 0.198381  0.165732 0.145138  -0.0184047  0.0106941   0.0199224   202 A1BEJ A C1    
1411 O  O1    . A1BEJ C .   ? 0.28007   0.175083 0.134447  -0.0313463  0.00711895  0.025114    202 A1BEJ A O1    
1412 N  N2    . A1BEJ C .   ? 0.191697  0.177878 0.191044  -0.0206785  0.000247    0.0468173   202 A1BEJ A N2    
1413 C  C2    . A1BEJ C .   ? 0.204387  0.185157 0.197979  -0.0417726  0.00922608  0.0142343   202 A1BEJ A C2    
1414 C  C3    . A1BEJ C .   ? 0.202281  0.176939 0.143706  -0.0346365  0.0075499   0.0323115   202 A1BEJ A C3    
1415 N  N1    . A1BEJ C .   ? 0.184067  0.169191 0.150876  -0.0316984  0.01003     0.0366665   202 A1BEJ A N1    
1416 C  C4    . A1BEJ C .   ? 0.188269  0.191701 0.181362  -0.0365331  -0.00034071 0.047184    202 A1BEJ A C4    
1417 C  C5    . A1BEJ C .   ? 0.199311  0.174988 0.151619  -0.0147426  0.00692322  0.030332    202 A1BEJ A C5    
1418 C  C6    . A1BEJ C .   ? 0.170255  0.163234 0.169691  -0.0154737  0.0354464   0.053768    202 A1BEJ A C6    
1419 N  N3    . A1BEJ C .   ? 0.178367  0.146802 0.174843  -0.0141814  0.0236815   0.0577188   202 A1BEJ A N3    
1420 C  C7    . A1BEJ C .   ? 0.187068  0.139722 0.145719  0.00660096  0.0404261   0.0485861   202 A1BEJ A C7    
1421 C  C8    . A1BEJ C .   ? 0.18314   0.140449 0.158395  -0.00519776 0.0230066   0.0404766   202 A1BEJ A C8    
1422 F  F1    . A1BEJ C .   ? 0.199734  0.132733 0.182669  0.00836546  0.0197462   0.0339483   202 A1BEJ A F1    
1423 C  C9    . A1BEJ C .   ? 0.194793  0.131225 0.140134  0.00229236  0.0258107   0.0436991   202 A1BEJ A C9    
1424 C  C10   . A1BEJ C .   ? 0.217088  0.145966 0.110013  0.0128164   0.0266393   0.0225626   202 A1BEJ A C10   
1425 CL CL1   . A1BEJ C .   ? 0.263006  0.157324 0.141504  0.012629    0.00902036  0.0094964   202 A1BEJ A CL1   
1426 C  C11   . A1BEJ C .   ? 0.210659  0.141818 0.124512  0.016193    0.0391506   0.0376818   202 A1BEJ A C11   
1427 C  C12   . A1BEJ C .   ? 0.170931  0.141852 0.151587  0.00564259  0.0474684   0.0466226   202 A1BEJ A C12   
1428 C  C13   . A1BEJ C .   ? 0.18175   0.163413 0.165916  0.0085396   0.0411606   0.0452462   202 A1BEJ A C13   
1429 C  C14   . A1BEJ C .   ? 0.173302  0.170216 0.157931  -0.00030986 0.0253846   0.0575091   202 A1BEJ A C14   
1430 N  N4    . A1BEJ C .   ? 0.193388  0.201067 0.184119  -0.00546809 0.0250589   0.0726987   202 A1BEJ A N4    
1431 C  C15   . A1BEJ C .   ? 0.172347  0.201776 0.17299   0.0110386   0.0432433   0.0439965   202 A1BEJ A C15   
1432 N  N5    . A1BEJ C .   ? 0.193257  0.168129 0.147814  0.0197544   0.0358973   0.0437656   202 A1BEJ A N5    
1433 C  C16   . A1BEJ C .   ? 0.199635  0.182373 0.129991  0.0251427   0.0368229   0.0221567   202 A1BEJ A C16   
1434 C  C17   . A1BEJ C .   ? 0.201612  0.182193 0.135248  0.0339812   0.0313634   0.0100816   202 A1BEJ A C17   
1435 C  C18   . A1BEJ C .   ? 0.186559  0.156056 0.120429  0.0274098   0.0345636   0.0225538   202 A1BEJ A C18   
1436 N  N6    . A1BEJ C .   ? 0.168829  0.149254 0.132351  0.00838557  0.0160892   0.00856218  202 A1BEJ A N6    
1437 C  C19   . A1BEJ C .   ? 0.202804  0.144629 0.144442  0.0186971   0.0269927   0.00570396  202 A1BEJ A C19   
1438 C  C20   . A1BEJ C .   ? 0.228965  0.157313 0.131973  0.0328356   0.0264638   0.0114832   202 A1BEJ A C20   
1439 C  C21   . A1BEJ C .   ? 0.202971  0.138361 0.141452  -0.00137985 0.0170348   0.0389946   202 A1BEJ A C21   
1440 C  C22   . A1BEJ C .   ? 0.219066  0.151799 0.130173  -0.0100214  0.0239397   0.0337401   202 A1BEJ A C22   
1441 C  C23   . A1BEJ C .   ? 0.234016  0.151393 0.138001  -0.0186018  0.00765679  0.0250406   202 A1BEJ A C23   
1442 C  C24   . A1BEJ C .   ? 0.23373   0.174319 0.153546  -0.00799603 0.00586655  0.0306221   202 A1BEJ A C24   
1443 C  C25   . A1BEJ C .   ? 0.208337  0.140611 0.146922  0.00017369  0.00608009  0.0328628   202 A1BEJ A C25   
1444 C  C26   . A1BEJ C .   ? 0.191137  0.178245 0.161695  -0.00840734 0.00548118  0.0398047   202 A1BEJ A C26   
1445 C  C27   . A1BEJ C .   ? 0.179215  0.176808 0.147708  0.00226311  0.015785    0.0258271   202 A1BEJ A C27   
1446 C  C28   . A1BEJ C .   ? 0.195374  0.170778 0.15232   -0.014675   0.0157676   0.0388875   202 A1BEJ A C28   
1447 C  C29   . A1BEJ C .   ? 0.190003  0.140365 0.158581  -0.0101176  0.0146932   0.0476114   202 A1BEJ A C29   
1448 C  C30   . A1BEJ C .   ? 0.198529  0.128288 0.156801  -0.0063599  0.015883    0.0390705   202 A1BEJ A C30   
1449 MG MG    . MG    D .   ? 0.180804  0.159788 0.14263   0.0290342   0.0478892   0.0179162   203 MG    A MG    
1450 O  O     . HOH   E .   ? 0.250337  0.605208 0.415711  0.0279585   0.0388716   -0.0388571  301 HOH   A O     
1451 O  O     . HOH   E .   ? 0.330968  0.397752 0.491106  -0.012476   0.00962139  0.0436952   302 HOH   A O     
1452 O  O     . HOH   E .   ? 0.327053  0.393008 0.581275  0.0173162   -0.0352857  -0.0380907  303 HOH   A O     
1453 O  O     . HOH   E .   ? 0.309016  0.385351 0.409726  -0.0447874  0.0582718   -0.0067727  304 HOH   A O     
1454 O  O     . HOH   E .   ? 0.291114  0.544086 0.508085  -0.0436526  0.14158     -0.0132643  305 HOH   A O     
1455 O  O     . HOH   E .   ? 0.43913   0.502752 0.391363  0.0729078   -0.0112102  -0.0733047  306 HOH   A O     
1456 O  O     . HOH   E .   ? 0.504183  0.37086  0.558734  0.0123594   0.0503937   -0.129471   307 HOH   A O     
1457 O  O     . HOH   E .   ? 0.248935  0.216567 0.275177  0.030028    0.0676865   -0.0434268  308 HOH   A O     
1458 O  O     . HOH   E .   ? 0.277232  0.232376 0.18468   -0.0504018  0.00828309  0.0549592   309 HOH   A O     
1459 O  O     . HOH   E .   ? 0.308127  0.324825 0.433286  -0.0161126  0.0353065   0.0143007   310 HOH   A O     
1460 O  O     . HOH   E .   ? 0.264351  0.378962 0.363308  0.00954144  0.0233767   0.0720448   311 HOH   A O     
1461 O  O     . HOH   E .   ? 0.330179  0.501159 0.440833  0.0776633   0.0990126   -0.0862775  312 HOH   A O     
1462 O  O     . HOH   E .   ? 0.517355  0.546815 0.34701   -0.144076   0.0123886   -0.0854786  313 HOH   A O     
1463 O  O     . HOH   E .   ? 0.405009  0.233818 0.317044  0.0807737   0.155359    0.0152071   314 HOH   A O     
1464 O  O     . HOH   E .   ? 0.403758  0.413937 0.239841  -0.117746   0.0304419   0.0512073   315 HOH   A O     
1465 O  O     . HOH   E .   ? 0.495414  0.39004  0.405895  -0.0920073  -0.0356221  0.0770732   316 HOH   A O     
1466 O  O     . HOH   E .   ? 0.417025  0.358933 0.379979  -0.0898241  0.104333    -0.00919212 317 HOH   A O     
1467 O  O     . HOH   E .   ? 0.154449  0.372756 0.363242  0.0397047   -0.0514052  -0.102626   318 HOH   A O     
1468 O  O     . HOH   E .   ? 0.681218  0.380399 0.178338  -0.0517744  0.102804    -0.00059371 319 HOH   A O     
1469 O  O     . HOH   E .   ? 0.419677  0.598754 0.225703  0.00216655  0.0201294   -0.0160139  320 HOH   A O     
1470 O  O     . HOH   E .   ? 0.171238  0.166587 0.152722  0.0272322   0.026023    0.0302769   321 HOH   A O     
1471 O  O     . HOH   E .   ? 0.306081  0.466753 0.27762   0.0439253   -0.0276126  0.00819304  322 HOH   A O     
1472 O  O     . HOH   E .   ? 0.295735  0.316467 0.390518  -0.0137412  0.00974643  -0.0470983  323 HOH   A O     
1473 O  O     . HOH   E .   ? 0.384914  0.477502 0.404277  0.0723979   -0.0836781  0.00700721  324 HOH   A O     
1474 O  O     . HOH   E .   ? 0.402978  0.30107  0.461736  -0.00756893 0.0854769   0.133485    325 HOH   A O     
1475 O  O     . HOH   E .   ? 0.71877   0.633192 0.433695  0.066151    -0.384889   -0.353208   326 HOH   A O     
1476 O  O     . HOH   E .   ? 0.41476   0.780289 0.275063  -0.046023   -0.0212566  -0.0171165  327 HOH   A O     
1477 O  O     . HOH   E .   ? 0.725459  0.379389 0.324467  0.126314    -0.047465   -0.0311005  328 HOH   A O     
1478 O  O     . HOH   E .   ? 0.557109  0.378735 0.57161   -0.0688554  0.0622093   0.0634456   329 HOH   A O     
1479 O  O     . HOH   E .   ? 0.238252  0.610531 0.429349  -0.00707878 0.0226987   0.0739248   330 HOH   A O     
1480 O  O     . HOH   E .   ? 0.610185  0.446007 0.550464  0.0159833   0.237871    -0.0103205  331 HOH   A O     
1481 O  O     . HOH   E .   ? 0.384012  0.530694 0.463062  -0.145612   -0.103597   0.0294742   332 HOH   A O     
1482 O  O     . HOH   E .   ? 0.1659    0.179132 0.164299  0.0448804   0.0518151   0.013199    333 HOH   A O     
1483 O  O     . HOH   E .   ? 0.261355  0.409962 0.356016  0.0472126   -0.0293086  0.0828459   334 HOH   A O     
1484 O  O     . HOH   E .   ? 0.491275  0.491517 0.398601  -0.0118468  0.178728    0.081187    335 HOH   A O     
1485 O  O     . HOH   E .   ? 0.189338  0.147484 0.148572  0.045989    0.0620355   0.0209859   336 HOH   A O     
1486 O  O     . HOH   E .   ? 0.266542  0.195524 0.225758  0.0127043   0.0881566   0.0175282   337 HOH   A O     
1487 O  O     . HOH   E .   ? 0.257429  0.325146 0.57487   -0.0297302  0.0763342   -0.0368997  338 HOH   A O     
1488 O  O     . HOH   E .   ? 0.24178   0.570373 0.356083  -0.0999732  -0.0103976  0.114315    339 HOH   A O     
1489 O  O     . HOH   E .   ? 0.384558  0.388585 0.331599  0.0823845   -0.0183533  0.0577849   340 HOH   A O     
1490 O  O     . HOH   E .   ? 0.183674  0.146981 0.105054  -0.00908592 0.0267556   0.00665163  341 HOH   A O     
1491 O  O     . HOH   E .   ? 0.490308  0.632113 0.291657  0.0284062   0.105633    0.11288     342 HOH   A O     
1492 O  O     . HOH   E .   ? 0.268859  0.223538 0.274788  -0.0478834  -0.030677   0.0192054   343 HOH   A O     
1493 O  O     . HOH   E .   ? 0.194981  0.162515 0.134074  0.0279331   0.0481393   0.00928525  344 HOH   A O     
1494 O  O     . HOH   E .   ? 0.445346  0.265854 0.396309  0.0725432   0.024089    -0.0467626  345 HOH   A O     
1495 O  O     . HOH   E .   ? 0.259956  0.268631 0.236869  0.00789969  0.0443663   -0.0848459  346 HOH   A O     
1496 O  O     . HOH   E .   ? 0.258591  0.48751  0.451006  -0.0584687  0.0322167   0.0973664   347 HOH   A O     
1497 O  O     . HOH   E .   ? 0.523492  0.2464   0.211569  -0.0672622  -0.06784    0.0363454   348 HOH   A O     
1498 O  O     . HOH   E .   ? 0.388145  0.282809 0.531892  0.013115    0.114784    -0.0403313  349 HOH   A O     
1499 O  O     . HOH   E .   ? 0.480366  0.35665  0.500183  -0.0143926  -0.0153333  0.0462061   350 HOH   A O     
1500 O  O     . HOH   E .   ? 0.265303  0.245629 0.18781   0.00909986  -0.03737    -0.00080244 351 HOH   A O     
1501 O  O     . HOH   E .   ? 0.268042  0.357165 0.255389  -0.0300575  0.00944307  -0.0804517  352 HOH   A O     
1502 O  O     . HOH   E .   ? 0.208684  0.250645 0.157144  0.0213956   0.0177392   -0.0230341  353 HOH   A O     
1503 O  O     . HOH   E .   ? 0.569862  0.318823 0.436028  0.0674668   0.125788    0.0862153   354 HOH   A O     
1504 O  O     . HOH   E .   ? 0.183625  0.264175 0.174601  0.0308108   -0.00642633 0.046074    355 HOH   A O     
1505 O  O     . HOH   E .   ? 0.367202  0.421379 0.590998  -0.0202309  -0.00618023 0.0280263   356 HOH   A O     
1506 O  O     . HOH   E .   ? 0.413618  0.409327 0.284083  -0.116307   -0.0431968  0.00419303  357 HOH   A O     
1507 O  O     . HOH   E .   ? 0.295449  0.387928 0.251317  -0.0667637  -0.0279484  0.0254489   358 HOH   A O     
1508 O  O     . HOH   E .   ? 0.409519  0.310699 0.429922  0.148812    -0.0274056  0.0610414   359 HOH   A O     
1509 O  O     . HOH   E .   ? 0.218316  0.184664 0.235808  0.0494442   0.0362382   0.0482485   360 HOH   A O     
1510 O  O     . HOH   E .   ? 0.178374  0.307952 0.232558  -0.0121945  0.00784207  0.022922    361 HOH   A O     
1511 O  O     . HOH   E .   ? 0.375938  0.398725 0.432002  0.0672313   0.0825208   0.00518326  362 HOH   A O     
1512 O  O     . HOH   E .   ? 0.377561  0.29185  0.452069  0.00034348  -0.113913   0.00273642  363 HOH   A O     
1513 O  O     . HOH   E .   ? 0.381066  0.250174 0.400044  0.0639907   0.0425553   -0.108433   364 HOH   A O     
1514 O  O     . HOH   E .   ? 0.522567  0.565284 0.257483  -0.254978   -0.0291965  0.0681934   365 HOH   A O     
1515 O  O     . HOH   E .   ? 0.156209  0.142686 0.156952  -0.0125252  0.031455    -0.025059   366 HOH   A O     
1516 O  O     . HOH   E .   ? 0.350821  0.233816 0.483939  0.0524875   0.0122916   0.101454    367 HOH   A O     
1517 O  O     . HOH   E .   ? 0.33266   0.330998 0.241031  0.0892868   0.0224306   -0.0337351  368 HOH   A O     
1518 O  O     . HOH   E .   ? 0.175255  0.47159  0.335675  0.108151    -0.0055497  -0.00183065 369 HOH   A O     
1519 O  O     . HOH   E .   ? 0.45901   0.327068 0.278495  -0.0444346  -0.0266872  0.0531756   370 HOH   A O     
1520 O  O     . HOH   E .   ? 0.222791  0.306535 0.354984  0.0683461   0.139713    0.0436457   371 HOH   A O     
1521 O  O     . HOH   E .   ? 0.336894  0.41135  0.393073  0.18641     0.0132538   0.0658612   372 HOH   A O     
1522 O  O     . HOH   E .   ? 0.498647  0.301856 0.471884  -0.106801   0.0184482   0.051201    373 HOH   A O     
1523 O  O     . HOH   E .   ? 0.540901  0.275593 0.266036  -0.0204806  0.0275233   0.00717097  374 HOH   A O     
1524 O  O     . HOH   E .   ? 0.233574  0.155347 0.144907  0.0513495   0.0545055   0.0205925   375 HOH   A O     
1525 O  O     . HOH   E .   ? 0.317761  0.432339 0.65416   0.0598331   -0.130061   -0.0216551  376 HOH   A O     
1526 O  O     . HOH   E .   ? 0.293057  0.45342  0.397864  0.0168898   0.0459564   -0.0822221  377 HOH   A O     
1527 O  O     . HOH   E .   ? 0.275519  0.508138 0.373205  -0.0495496  -0.0129288  0.0481648   378 HOH   A O     
1528 O  O     . HOH   E .   ? 0.678787  0.807779 0.502496  -0.0812142  0.193299    -0.0189237  379 HOH   A O     
1529 O  O     . HOH   E .   ? 0.385032  0.334186 0.410038  0.00732929  -0.0376158  0.0247079   380 HOH   A O     
1530 O  O     . HOH   E .   ? 0.349448  0.236343 0.239107  0.043815    -0.00142002 0.0520399   381 HOH   A O     
1531 O  O     . HOH   E .   ? 0.315748  0.293502 0.296269  -0.0494313  0.0252947   0.0376157   382 HOH   A O     
1532 O  O     . HOH   E .   ? 0.17482   0.241974 0.417357  -0.00273891 0.0805616   -0.0156147  383 HOH   A O     
1533 O  O     . HOH   E .   ? 0.252402  0.71089  0.307134  -0.00012973 0.058747    -0.0326485  384 HOH   A O     
1534 O  O     . HOH   E .   ? 0.225636  0.544384 0.230096  0.0564407   0.0458829   0.0346262   385 HOH   A O     
1535 O  O     . HOH   E .   ? 0.456528  0.542657 0.509721  0.121643    0.0478228   0.200427    386 HOH   A O     
1536 O  O     . HOH   E .   ? 0.28981   0.228851 0.257614  -0.0019695  -0.0328497  0.0530789   387 HOH   A O     
1537 O  O     . HOH   E .   ? 0.451394  0.382129 0.337496  -0.0104886  -0.113005   -0.0037624  388 HOH   A O     
1538 O  O     . HOH   E .   ? 0.260997  0.404626 0.291708  0.0159714   -0.0319548  -0.0781172  389 HOH   A O     
1539 O  O     . HOH   E .   ? 0.506682  0.364902 0.681556  0.120828    0.0348138   0.0726547   390 HOH   A O     
1540 O  O     . HOH   E .   ? 0.681262  0.471442 0.369118  -0.101735   -0.0390933  0.0504234   391 HOH   A O     
1541 O  O     . HOH   E .   ? 0.402567  0.586223 0.404461  -0.177875   -0.0652621  0.0211209   392 HOH   A O     
1542 O  O     . HOH   E .   ? 0.477872  0.606068 0.715015  0.075857    0.00152446  0.0117134   393 HOH   A O     
1543 O  O     . HOH   E .   ? 0.221531  0.345493 0.15889   0.069484    0.0128448   0.103761    394 HOH   A O     
1544 O  O     . HOH   E .   ? 0.250687  0.440048 0.334623  -0.00327902 0.0775108   0.0299869   395 HOH   A O     
1545 O  O     . HOH   E .   ? 0.281817  0.320508 0.539592  -0.0600217  -0.0948557  -0.00138256 396 HOH   A O     
1546 O  O     . HOH   E .   ? 0.413003  0.212735 0.173605  0.019511    0.0447664   0.0537146   397 HOH   A O     
1547 O  O     . HOH   E .   ? 0.273298  0.248775 0.672421  -0.00985112 0.0397214   -0.0696837  398 HOH   A O     
1548 O  O     . HOH   E .   ? 0.416205  0.372462 0.184276  -0.00080933 0.108999    -0.0420454  399 HOH   A O     
1549 O  O     . HOH   E .   ? 0.285827  0.227694 0.341933  0.0291862   -0.00204075 -0.0265961  400 HOH   A O     
1550 O  O     . HOH   E .   ? 0.203439  0.249908 0.171253  0.0277945   -0.0429504  0.0525514   401 HOH   A O     
1551 O  O     . HOH   E .   ? 0.412984  0.404486 0.2487    0.165828    -0.0442024  0.0815518   402 HOH   A O     
1552 O  O     . HOH   E .   ? 0.367611  0.526942 0.310214  0.0455363   -0.129289   -0.131976   403 HOH   A O     
1553 O  O     . HOH   E .   ? 0.422181  0.456886 0.117235  0.104519    0.0497732   -0.0120782  404 HOH   A O     
1554 O  O     . HOH   E .   ? 0.240633  0.336295 0.25202   -0.00744666 0.031547    0.150547    405 HOH   A O     
1555 O  O     . HOH   E .   ? 0.445186  0.62285  0.465296  0.028087    -0.0951226  -0.156292   406 HOH   A O     
1556 O  O     . HOH   E .   ? 0.425414  0.353386 0.45312   0.106567    -0.027186   -0.0605805  407 HOH   A O     
1557 O  O     . HOH   E .   ? 0.367485  0.499766 0.420185  -0.0167872  -0.165904   0.0813242   408 HOH   A O     
1558 O  O     . HOH   E .   ? 0.25407   0.376659 0.169687  0.0758733   0.0420922   -0.0192521  409 HOH   A O     
1559 O  O     . HOH   E .   ? 0.48117   0.516723 0.345046  -0.0375567  0.0531375   0.0701112   410 HOH   A O     
1560 O  O     . HOH   E .   ? 0.615684  0.579893 0.698464  0.283366    -0.113463   0.0492888   411 HOH   A O     
1561 O  O     . HOH   E .   ? 0.488599  0.27842  0.303921  0.137125    0.0932791   0.0436946   412 HOH   A O     
1562 O  O     . HOH   E .   ? 0.616199  0.632907 0.556902  0.00650567  0.0172472   0.00087568  413 HOH   A O     
1563 O  O     . HOH   E .   ? 0.50838   0.34784  0.22105   -0.00860918 0.0798176   0.0572138   414 HOH   A O     
1564 O  O     . HOH   E .   ? 0.328817  0.587083 0.213531  0.085714    0.0110847   0.10524     415 HOH   A O     
1565 O  O     . HOH   E .   ? 0.299352  0.561171 0.408072  -0.0705497  -0.0666601  0.0300947   416 HOH   A O     
1566 O  O     . HOH   E .   ? 0.679306  0.427336 0.38703   0.0118257   -0.059323   0.0917937   417 HOH   A O     
1567 O  O     . HOH   E .   ? 0.191811  0.358069 0.445672  -0.0506985  0.047835    0.0166169   418 HOH   A O     
1568 O  O     . HOH   E .   ? 0.330863  0.684483 0.400045  0.105077    -0.00531987 -0.067982   419 HOH   A O     
1569 O  O     . HOH   E .   ? 0.606383  0.360548 0.184913  -0.150995   0.00631769  -0.0249954  420 HOH   A O     
1570 O  O     . HOH   E .   ? 0.333238  0.401518 0.24399   0.0222313   0.00628845  0.046955    421 HOH   A O     
1571 O  O     . HOH   E .   ? 0.72127   0.45954  0.702061  -0.20156    0.155756    0.0718148   422 HOH   A O     
1572 O  O     . HOH   E .   ? 0.291246  0.513479 0.410004  0.0141541   -0.0654051  -0.139233   423 HOH   A O     
1573 O  O     . HOH   E .   ? 0.513003  0.340129 0.425202  0.0988407   -0.110765   -0.0522269  424 HOH   A O     
1574 O  O     . HOH   E .   ? 0.467306  0.556154 0.428088  -0.192805   -0.180579   -0.140688   425 HOH   A O     
1575 O  O     . HOH   E .   ? 0.36391   0.348971 0.317404  0.0220622   -0.0252388  0.0243672   426 HOH   A O     
1576 O  O     . HOH   E .   ? 0.377385  0.558387 0.401025  -0.136453   -0.0509155  0.0588127   427 HOH   A O     
1577 O  O     . HOH   E .   ? 0.347051  0.290966 0.454301  -0.00257692 -0.0201433  -0.0654485  428 HOH   A O     
1578 O  O     . HOH   E .   ? 0.216072  0.498594 0.420142  -0.0519039  0.0300043   -0.0810845  429 HOH   A O     
1579 O  O     . HOH   E .   ? 0.347126  0.604088 0.391976  0.0296598   -0.0333485  -0.0640158  430 HOH   A O     
1580 O  O     . HOH   E .   ? 0.303242  0.335228 0.647385  -0.00324496 0.00315114  0.0893432   431 HOH   A O     
1581 O  O     . HOH   E .   ? 0.394825  0.472277 0.605753  0.0731633   0.170763    -0.0571372  432 HOH   A O     
1582 O  O     . HOH   E .   ? 0.346754  0.603969 0.385808  0.138669    0.0171046   0.0313795   433 HOH   A O     
1583 O  O     . HOH   E .   ? 0.387405  0.288337 0.500086  -0.0332877  0.0158027   -0.0273384  434 HOH   A O     
1584 O  O     . HOH   E .   ? 0.410818  0.44853  0.410077  0.0224649   0.179803    0.0146421   435 HOH   A O     
1585 O  O     . HOH   E .   ? 0.438305  0.428557 0.701248  0.144094    0.0289707   -0.0200154  436 HOH   A O     
1586 O  O     . HOH   E .   ? 0.52609   0.382391 0.575921  0.107886    0.0997812   0.0276687   437 HOH   A O     
1587 O  O     . HOH   E .   ? 0.349893  0.557058 0.604225  -0.0262445  -0.00123347 -0.17243    438 HOH   A O     
1588 O  O     . HOH   E .   ? 0.533683  0.348247 0.621706  0.0545091   -0.247623   -0.00476998 439 HOH   A O     
1589 O  O     . HOH   E .   ? 0.397723  0.416281 0.440985  0.116388    0.00606538  -0.0988135  440 HOH   A O     
1590 O  O     . HOH   E .   ? 0.3675    0.465405 0.578536  0.0015385   0.151036    -0.121884   441 HOH   A O     
1591 O  O     . HOH   E .   ? 0.267486  0.367742 0.64602   0.0531505   -0.035347   0.134175    442 HOH   A O     
1592 O  O     . HOH   E .   ? 0.230875  0.237572 0.150912  -0.00401932 -0.0120913  0.0544927   443 HOH   A O     
1593 O  O     . HOH   E .   ? 0.280669  0.417627 0.532774  -0.0286084  0.0970396   0.127506    444 HOH   A O     
1594 O  O     . HOH   E .   ? 0.609377  0.488099 0.464963  0.0199954   0.0999978   0.161564    445 HOH   A O     
1595 O  O     . HOH   E .   ? 0.331116  0.437106 0.310881  0.0557637   0.00661762  -0.0792171  446 HOH   A O     
1596 O  O     . HOH   E .   ? 0.333209  0.320794 0.342331  0.0427735   0.114459    -0.0114359  447 HOH   A O     
1597 O  O     . HOH   E .   ? 0.337384  0.325479 0.458975  0.0838566   0.137355    -0.0125471  448 HOH   A O     
1598 O  O     . HOH   E .   ? 0.408816  0.551294 0.424993  -0.0565402  -0.0457631  -0.0566129  449 HOH   A O     
1599 O  O     . HOH   E .   ? 0.445025  0.265944 0.540871  0.0011325   -0.148647   -0.00119732 450 HOH   A O     
1600 O  O     . HOH   E .   ? 0.55741   0.445573 0.433159  -0.175969   0.152033    -0.164175   451 HOH   A O     
1601 O  O     . HOH   E .   ? 0.336008  0.527975 0.437219  0.0214316   -0.0402878  -0.0610721  452 HOH   A O     
1602 O  O     . HOH   E .   ? 0.231993  0.534444 0.357041  0.00074942  0.011764    -0.00088029 453 HOH   A O     
1603 O  O     . HOH   E .   ? 0.571706  0.473857 0.308161  0.0723713   0.0104269   -0.0527289  454 HOH   A O     
1604 O  O     . HOH   E .   ? 0.39351   0.513462 0.316258  -0.0912031  -0.0975791  -0.0282507  455 HOH   A O     
1605 O  O     . HOH   E .   ? 0.459443  0.672395 0.507084  -0.160466   0.0934098   -0.092555   456 HOH   A O     
# 
