data_7HB1
# 
_entry.id   7HB1 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.403 
_audit_conform.dict_location   http://mmcif.pdb.org/dictionaries/ascii/mmcif_pdbx.dic 
# 
loop_
_database_2.database_id 
_database_2.database_code 
_database_2.pdbx_database_accession 
_database_2.pdbx_DOI 
PDB   7HB1         pdb_00007hb1 10.2210/pdb7hb1/pdb 
WWPDB D_1001407248 ?            ?                   
# 
_pdbx_audit_revision_history.ordinal             1 
_pdbx_audit_revision_history.data_content_type   'Structure model' 
_pdbx_audit_revision_history.major_revision      1 
_pdbx_audit_revision_history.minor_revision      0 
_pdbx_audit_revision_history.revision_date       2025-03-26 
_pdbx_audit_revision_history.part_number         ? 
# 
_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_database_status.entry_id                        7HB1 
_pdbx_database_status.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.recvd_initial_deposition_date   2024-07-10 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.deposit_site                    RCSB 
_pdbx_database_status.process_site                    RCSB 
_pdbx_database_status.SG_entry                        ? 
_pdbx_database_status.pdb_format_compatible           Y 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.name_last          Yu 
_pdbx_contact_author.name_first         Feng 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.email              yufeng@sari.ac.cn 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0002-9502-3277 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Huang, L.' 1  ? 
'Wang, W.'  2  ? 
'Zhu, Z.'   3  ? 
'Li, Q.'    4  ? 
'Li, M.'    5  ? 
'Zhou, H.'  6  ? 
'Xu, Q.'    7  ? 
'Wen, W.'   8  ? 
'Wang, Q.'  9  ? 
'Yu, F.'    10 ? 
# 
_citation.id                        primary 
_citation.title                     
;Novel starting points for fragment-based drug design against human heat-shock protein 90 identified using crystallographic fragment screening.
;
_citation.journal_abbrev            Iucrj 
_citation.journal_volume            12 
_citation.page_first                177 
_citation.page_last                 187 
_citation.year                      2025 
_citation.journal_id_ASTM           ? 
_citation.country                   UK 
_citation.journal_id_ISSN           2052-2525 
_citation.journal_id_CSD            ? 
_citation.book_publisher            ? 
_citation.pdbx_database_id_PubMed   39819741 
_citation.pdbx_database_id_DOI      10.1107/S2052252524012247 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.identifier_ORCID 
_citation_author.ordinal 
primary 'Huang, L.' 0009-0001-8431-0182 1  
primary 'Wang, W.'  ?                   2  
primary 'Zhu, Z.'   ?                   3  
primary 'Li, Q.'    ?                   4  
primary 'Li, M.'    ?                   5  
primary 'Zhou, H.'  ?                   6  
primary 'Xu, Q.'    0000-0002-7137-0768 7  
primary 'Wen, W.'   ?                   8  
primary 'Wang, Q.'  ?                   9  
primary 'Yu, F.'    0000-0002-9502-3277 10 
# 
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 'Heat shock protein HSP 90-alpha' 26859.117 1   3.6.4.10 ? ? ? 
2 non-polymer syn '(6-phenoxypyridin-3-yl)methanol' 201.221   1   ?        ? ? ? 
3 water       nat water                             18.015    294 ?        ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;Heat shock 86 kDa,HSP 86,HSP86,Heat shock protein family C member 1,Lipopolysaccharide-associated protein 2,LAP-2,LPS-associated protein 2,Renal carcinoma antigen NY-REN-38
;
# 
_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       
;MDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDR
TLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAG
GSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAELEHHHHHH
;
_entity_poly.pdbx_seq_one_letter_code_can   
;MDQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDR
TLTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAG
GSFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAELEHHHHHH
;
_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 '(6-phenoxypyridin-3-yl)methanol' A7Q 
3 water                             HOH 
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   MET n 
1 2   ASP n 
1 3   GLN n 
1 4   PRO n 
1 5   MET n 
1 6   GLU n 
1 7   GLU n 
1 8   GLU n 
1 9   GLU n 
1 10  VAL n 
1 11  GLU n 
1 12  THR n 
1 13  PHE n 
1 14  ALA n 
1 15  PHE n 
1 16  GLN n 
1 17  ALA n 
1 18  GLU n 
1 19  ILE n 
1 20  ALA n 
1 21  GLN n 
1 22  LEU n 
1 23  MET n 
1 24  SER n 
1 25  LEU n 
1 26  ILE n 
1 27  ILE n 
1 28  ASN n 
1 29  THR n 
1 30  PHE n 
1 31  TYR n 
1 32  SER n 
1 33  ASN n 
1 34  LYS n 
1 35  GLU n 
1 36  ILE n 
1 37  PHE n 
1 38  LEU n 
1 39  ARG n 
1 40  GLU n 
1 41  LEU n 
1 42  ILE n 
1 43  SER n 
1 44  ASN n 
1 45  SER n 
1 46  SER n 
1 47  ASP n 
1 48  ALA n 
1 49  LEU n 
1 50  ASP n 
1 51  LYS n 
1 52  ILE n 
1 53  ARG n 
1 54  TYR n 
1 55  GLU n 
1 56  SER n 
1 57  LEU n 
1 58  THR n 
1 59  ASP n 
1 60  PRO n 
1 61  SER n 
1 62  LYS n 
1 63  LEU n 
1 64  ASP n 
1 65  SER n 
1 66  GLY n 
1 67  LYS n 
1 68  GLU n 
1 69  LEU n 
1 70  HIS n 
1 71  ILE n 
1 72  ASN n 
1 73  LEU n 
1 74  ILE n 
1 75  PRO n 
1 76  ASN n 
1 77  LYS n 
1 78  GLN n 
1 79  ASP n 
1 80  ARG n 
1 81  THR n 
1 82  LEU n 
1 83  THR n 
1 84  ILE n 
1 85  VAL n 
1 86  ASP n 
1 87  THR n 
1 88  GLY n 
1 89  ILE n 
1 90  GLY n 
1 91  MET n 
1 92  THR n 
1 93  LYS n 
1 94  ALA n 
1 95  ASP n 
1 96  LEU n 
1 97  ILE n 
1 98  ASN n 
1 99  ASN n 
1 100 LEU n 
1 101 GLY n 
1 102 THR n 
1 103 ILE n 
1 104 ALA n 
1 105 LYS n 
1 106 SER n 
1 107 GLY n 
1 108 THR n 
1 109 LYS n 
1 110 ALA n 
1 111 PHE n 
1 112 MET n 
1 113 GLU n 
1 114 ALA n 
1 115 LEU n 
1 116 GLN n 
1 117 ALA n 
1 118 GLY n 
1 119 ALA n 
1 120 ASP n 
1 121 ILE n 
1 122 SER n 
1 123 MET n 
1 124 ILE n 
1 125 GLY n 
1 126 GLN n 
1 127 PHE n 
1 128 GLY n 
1 129 VAL n 
1 130 GLY n 
1 131 PHE n 
1 132 TYR n 
1 133 SER n 
1 134 ALA n 
1 135 TYR n 
1 136 LEU n 
1 137 VAL n 
1 138 ALA n 
1 139 GLU n 
1 140 LYS n 
1 141 VAL n 
1 142 THR n 
1 143 VAL n 
1 144 ILE n 
1 145 THR n 
1 146 LYS n 
1 147 HIS n 
1 148 ASN n 
1 149 ASP n 
1 150 ASP n 
1 151 GLU n 
1 152 GLN n 
1 153 TYR n 
1 154 ALA n 
1 155 TRP n 
1 156 GLU n 
1 157 SER n 
1 158 SER n 
1 159 ALA n 
1 160 GLY n 
1 161 GLY n 
1 162 SER n 
1 163 PHE n 
1 164 THR n 
1 165 VAL n 
1 166 ARG n 
1 167 THR n 
1 168 ASP n 
1 169 THR n 
1 170 GLY n 
1 171 GLU n 
1 172 PRO n 
1 173 MET n 
1 174 GLY n 
1 175 ARG n 
1 176 GLY n 
1 177 THR n 
1 178 LYS n 
1 179 VAL n 
1 180 ILE n 
1 181 LEU n 
1 182 HIS n 
1 183 LEU n 
1 184 LYS n 
1 185 GLU n 
1 186 ASP n 
1 187 GLN n 
1 188 THR n 
1 189 GLU n 
1 190 TYR n 
1 191 LEU n 
1 192 GLU n 
1 193 GLU n 
1 194 ARG n 
1 195 ARG n 
1 196 ILE n 
1 197 LYS n 
1 198 GLU n 
1 199 ILE n 
1 200 VAL n 
1 201 LYS n 
1 202 LYS n 
1 203 HIS n 
1 204 SER n 
1 205 GLN n 
1 206 PHE n 
1 207 ILE n 
1 208 GLY n 
1 209 TYR n 
1 210 PRO n 
1 211 ILE n 
1 212 THR n 
1 213 LEU n 
1 214 PHE n 
1 215 VAL n 
1 216 GLU n 
1 217 LYS n 
1 218 GLU n 
1 219 ARG n 
1 220 ASP n 
1 221 LYS n 
1 222 GLU n 
1 223 VAL n 
1 224 SER n 
1 225 ASP n 
1 226 ASP n 
1 227 GLU n 
1 228 ALA n 
1 229 GLU n 
1 230 LEU n 
1 231 GLU n 
1 232 HIS n 
1 233 HIS n 
1 234 HIS n 
1 235 HIS n 
1 236 HIS n 
1 237 HIS 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                   237 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'HSP90AA1, HSP90A, HSPC1, HSPCA' 
_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          plasmid 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       pET28 
_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 
A7Q non-polymer         . '(6-phenoxypyridin-3-yl)methanol' ? 'C12 H11 N O2'   201.221 
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 
GLN 'L-peptide linking' y GLUTAMINE                         ? 'C5 H10 N2 O3'   146.144 
GLU 'L-peptide linking' y 'GLUTAMIC ACID'                   ? 'C5 H9 N O4'     147.129 
GLY 'peptide linking'   y GLYCINE                           ? 'C2 H5 N O2'     75.067  
HIS 'L-peptide linking' y HISTIDINE                         ? 'C6 H10 N3 O2 1' 156.162 
HOH non-polymer         . WATER                             ? 'H2 O'           18.015  
ILE 'L-peptide linking' y ISOLEUCINE                        ? 'C6 H13 N O2'    131.173 
LEU 'L-peptide linking' y LEUCINE                           ? 'C6 H13 N O2'    131.173 
LYS 'L-peptide linking' y LYSINE                            ? 'C6 H15 N2 O2 1' 147.195 
MET 'L-peptide linking' y METHIONINE                        ? 'C5 H11 N O2 S'  149.211 
PHE 'L-peptide linking' y PHENYLALANINE                     ? 'C9 H11 N O2'    165.189 
PRO 'L-peptide linking' y PROLINE                           ? 'C5 H9 N O2'     115.130 
SER 'L-peptide linking' y SERINE                            ? 'C3 H7 N O3'     105.093 
THR 'L-peptide linking' y THREONINE                         ? 'C4 H9 N O3'     119.119 
TRP 'L-peptide linking' y TRYPTOPHAN                        ? 'C11 H12 N2 O2'  204.225 
TYR 'L-peptide linking' y TYROSINE                          ? 'C9 H11 N O3'    181.189 
VAL 'L-peptide linking' y VALINE                            ? 'C5 H11 N O2'    117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   MET 1   8   ?   ?   ?   A . n 
A 1 2   ASP 2   9   ?   ?   ?   A . n 
A 1 3   GLN 3   10  ?   ?   ?   A . n 
A 1 4   PRO 4   11  ?   ?   ?   A . n 
A 1 5   MET 5   12  ?   ?   ?   A . n 
A 1 6   GLU 6   13  ?   ?   ?   A . n 
A 1 7   GLU 7   14  ?   ?   ?   A . n 
A 1 8   GLU 8   15  ?   ?   ?   A . n 
A 1 9   GLU 9   16  16  GLU GLU A . n 
A 1 10  VAL 10  17  17  VAL VAL A . n 
A 1 11  GLU 11  18  18  GLU GLU A . n 
A 1 12  THR 12  19  19  THR THR A . n 
A 1 13  PHE 13  20  20  PHE PHE A . n 
A 1 14  ALA 14  21  21  ALA ALA A . n 
A 1 15  PHE 15  22  22  PHE PHE A . n 
A 1 16  GLN 16  23  23  GLN GLN A . n 
A 1 17  ALA 17  24  24  ALA ALA A . n 
A 1 18  GLU 18  25  25  GLU GLU A . n 
A 1 19  ILE 19  26  26  ILE ILE A . n 
A 1 20  ALA 20  27  27  ALA ALA A . n 
A 1 21  GLN 21  28  28  GLN GLN A . n 
A 1 22  LEU 22  29  29  LEU LEU A . n 
A 1 23  MET 23  30  30  MET MET A . n 
A 1 24  SER 24  31  31  SER SER A . n 
A 1 25  LEU 25  32  32  LEU LEU A . n 
A 1 26  ILE 26  33  33  ILE ILE A . n 
A 1 27  ILE 27  34  34  ILE ILE A . n 
A 1 28  ASN 28  35  35  ASN ASN A . n 
A 1 29  THR 29  36  36  THR THR A . n 
A 1 30  PHE 30  37  37  PHE PHE A . n 
A 1 31  TYR 31  38  38  TYR TYR A . n 
A 1 32  SER 32  39  39  SER SER A . n 
A 1 33  ASN 33  40  40  ASN ASN A . n 
A 1 34  LYS 34  41  41  LYS LYS A . n 
A 1 35  GLU 35  42  42  GLU GLU A . n 
A 1 36  ILE 36  43  43  ILE ILE A . n 
A 1 37  PHE 37  44  44  PHE PHE A . n 
A 1 38  LEU 38  45  45  LEU LEU A . n 
A 1 39  ARG 39  46  46  ARG ARG A . n 
A 1 40  GLU 40  47  47  GLU GLU A . n 
A 1 41  LEU 41  48  48  LEU LEU A . n 
A 1 42  ILE 42  49  49  ILE ILE A . n 
A 1 43  SER 43  50  50  SER SER A . n 
A 1 44  ASN 44  51  51  ASN ASN A . n 
A 1 45  SER 45  52  52  SER SER A . n 
A 1 46  SER 46  53  53  SER SER A . n 
A 1 47  ASP 47  54  54  ASP ASP A . n 
A 1 48  ALA 48  55  55  ALA ALA A . n 
A 1 49  LEU 49  56  56  LEU LEU A . n 
A 1 50  ASP 50  57  57  ASP ASP A . n 
A 1 51  LYS 51  58  58  LYS LYS A . n 
A 1 52  ILE 52  59  59  ILE ILE A . n 
A 1 53  ARG 53  60  60  ARG ARG A . n 
A 1 54  TYR 54  61  61  TYR TYR A . n 
A 1 55  GLU 55  62  62  GLU GLU A . n 
A 1 56  SER 56  63  63  SER SER A . n 
A 1 57  LEU 57  64  64  LEU LEU A . n 
A 1 58  THR 58  65  65  THR THR A . n 
A 1 59  ASP 59  66  66  ASP ASP A . n 
A 1 60  PRO 60  67  67  PRO PRO A . n 
A 1 61  SER 61  68  68  SER SER A . n 
A 1 62  LYS 62  69  69  LYS LYS A . n 
A 1 63  LEU 63  70  70  LEU LEU A . n 
A 1 64  ASP 64  71  71  ASP ASP A . n 
A 1 65  SER 65  72  72  SER SER A . n 
A 1 66  GLY 66  73  73  GLY GLY A . n 
A 1 67  LYS 67  74  74  LYS LYS A . n 
A 1 68  GLU 68  75  75  GLU GLU A . n 
A 1 69  LEU 69  76  76  LEU LEU A . n 
A 1 70  HIS 70  77  77  HIS HIS A . n 
A 1 71  ILE 71  78  78  ILE ILE A . n 
A 1 72  ASN 72  79  79  ASN ASN A . n 
A 1 73  LEU 73  80  80  LEU LEU A . n 
A 1 74  ILE 74  81  81  ILE ILE A . n 
A 1 75  PRO 75  82  82  PRO PRO A . n 
A 1 76  ASN 76  83  83  ASN ASN A . n 
A 1 77  LYS 77  84  84  LYS LYS A . n 
A 1 78  GLN 78  85  85  GLN GLN A . n 
A 1 79  ASP 79  86  86  ASP ASP A . n 
A 1 80  ARG 80  87  87  ARG ARG A . n 
A 1 81  THR 81  88  88  THR THR A . n 
A 1 82  LEU 82  89  89  LEU LEU A . n 
A 1 83  THR 83  90  90  THR THR A . n 
A 1 84  ILE 84  91  91  ILE ILE A . n 
A 1 85  VAL 85  92  92  VAL VAL A . n 
A 1 86  ASP 86  93  93  ASP ASP A . n 
A 1 87  THR 87  94  94  THR THR A . n 
A 1 88  GLY 88  95  95  GLY GLY A . n 
A 1 89  ILE 89  96  96  ILE ILE A . n 
A 1 90  GLY 90  97  97  GLY GLY A . n 
A 1 91  MET 91  98  98  MET MET A . n 
A 1 92  THR 92  99  99  THR THR A . n 
A 1 93  LYS 93  100 100 LYS LYS A . n 
A 1 94  ALA 94  101 101 ALA ALA A . n 
A 1 95  ASP 95  102 102 ASP ASP A . n 
A 1 96  LEU 96  103 103 LEU LEU A . n 
A 1 97  ILE 97  104 104 ILE ILE A . n 
A 1 98  ASN 98  105 105 ASN ASN A . n 
A 1 99  ASN 99  106 106 ASN ASN A . n 
A 1 100 LEU 100 107 107 LEU LEU A . n 
A 1 101 GLY 101 108 108 GLY GLY A . n 
A 1 102 THR 102 109 109 THR THR A . n 
A 1 103 ILE 103 110 110 ILE ILE A . n 
A 1 104 ALA 104 111 111 ALA ALA A . n 
A 1 105 LYS 105 112 112 LYS LYS A . n 
A 1 106 SER 106 113 113 SER SER A . n 
A 1 107 GLY 107 114 114 GLY GLY A . n 
A 1 108 THR 108 115 115 THR THR A . n 
A 1 109 LYS 109 116 116 LYS LYS A . n 
A 1 110 ALA 110 117 117 ALA ALA A . n 
A 1 111 PHE 111 118 118 PHE PHE A . n 
A 1 112 MET 112 119 119 MET MET A . n 
A 1 113 GLU 113 120 120 GLU GLU A . n 
A 1 114 ALA 114 121 121 ALA ALA A . n 
A 1 115 LEU 115 122 122 LEU LEU A . n 
A 1 116 GLN 116 123 123 GLN GLN A . n 
A 1 117 ALA 117 124 124 ALA ALA A . n 
A 1 118 GLY 118 125 125 GLY GLY A . n 
A 1 119 ALA 119 126 126 ALA ALA A . n 
A 1 120 ASP 120 127 127 ASP ASP A . n 
A 1 121 ILE 121 128 128 ILE ILE A . n 
A 1 122 SER 122 129 129 SER SER A . n 
A 1 123 MET 123 130 130 MET MET A . n 
A 1 124 ILE 124 131 131 ILE ILE A . n 
A 1 125 GLY 125 132 132 GLY GLY A . n 
A 1 126 GLN 126 133 133 GLN GLN A . n 
A 1 127 PHE 127 134 134 PHE PHE A . n 
A 1 128 GLY 128 135 135 GLY GLY A . n 
A 1 129 VAL 129 136 136 VAL VAL A . n 
A 1 130 GLY 130 137 137 GLY GLY A . n 
A 1 131 PHE 131 138 138 PHE PHE A . n 
A 1 132 TYR 132 139 139 TYR TYR A . n 
A 1 133 SER 133 140 140 SER SER A . n 
A 1 134 ALA 134 141 141 ALA ALA A . n 
A 1 135 TYR 135 142 142 TYR TYR A . n 
A 1 136 LEU 136 143 143 LEU LEU A . n 
A 1 137 VAL 137 144 144 VAL VAL A . n 
A 1 138 ALA 138 145 145 ALA ALA A . n 
A 1 139 GLU 139 146 146 GLU GLU A . n 
A 1 140 LYS 140 147 147 LYS LYS A . n 
A 1 141 VAL 141 148 148 VAL VAL A . n 
A 1 142 THR 142 149 149 THR THR A . n 
A 1 143 VAL 143 150 150 VAL VAL A . n 
A 1 144 ILE 144 151 151 ILE ILE A . n 
A 1 145 THR 145 152 152 THR THR A . n 
A 1 146 LYS 146 153 153 LYS LYS A . n 
A 1 147 HIS 147 154 154 HIS HIS A . n 
A 1 148 ASN 148 155 155 ASN ASN A . n 
A 1 149 ASP 149 156 156 ASP ASP A . n 
A 1 150 ASP 150 157 157 ASP ASP A . n 
A 1 151 GLU 151 158 158 GLU GLU A . n 
A 1 152 GLN 152 159 159 GLN GLN A . n 
A 1 153 TYR 153 160 160 TYR TYR A . n 
A 1 154 ALA 154 161 161 ALA ALA A . n 
A 1 155 TRP 155 162 162 TRP TRP A . n 
A 1 156 GLU 156 163 163 GLU GLU A . n 
A 1 157 SER 157 164 164 SER SER A . n 
A 1 158 SER 158 165 165 SER SER A . n 
A 1 159 ALA 159 166 166 ALA ALA A . n 
A 1 160 GLY 160 167 167 GLY GLY A . n 
A 1 161 GLY 161 168 168 GLY GLY A . n 
A 1 162 SER 162 169 169 SER SER A . n 
A 1 163 PHE 163 170 170 PHE PHE A . n 
A 1 164 THR 164 171 171 THR THR A . n 
A 1 165 VAL 165 172 172 VAL VAL A . n 
A 1 166 ARG 166 173 173 ARG ARG A . n 
A 1 167 THR 167 174 174 THR THR A . n 
A 1 168 ASP 168 175 175 ASP ASP A . n 
A 1 169 THR 169 176 176 THR THR A . n 
A 1 170 GLY 170 177 177 GLY GLY A . n 
A 1 171 GLU 171 178 178 GLU GLU A . n 
A 1 172 PRO 172 179 179 PRO PRO A . n 
A 1 173 MET 173 180 180 MET MET A . n 
A 1 174 GLY 174 181 181 GLY GLY A . n 
A 1 175 ARG 175 182 182 ARG ARG A . n 
A 1 176 GLY 176 183 183 GLY GLY A . n 
A 1 177 THR 177 184 184 THR THR A . n 
A 1 178 LYS 178 185 185 LYS LYS A . n 
A 1 179 VAL 179 186 186 VAL VAL A . n 
A 1 180 ILE 180 187 187 ILE ILE A . n 
A 1 181 LEU 181 188 188 LEU LEU A . n 
A 1 182 HIS 182 189 189 HIS HIS A . n 
A 1 183 LEU 183 190 190 LEU LEU A . n 
A 1 184 LYS 184 191 191 LYS LYS A . n 
A 1 185 GLU 185 192 192 GLU GLU A . n 
A 1 186 ASP 186 193 193 ASP ASP A . n 
A 1 187 GLN 187 194 194 GLN GLN A . n 
A 1 188 THR 188 195 195 THR THR A . n 
A 1 189 GLU 189 196 196 GLU GLU A . n 
A 1 190 TYR 190 197 197 TYR TYR A . n 
A 1 191 LEU 191 198 198 LEU LEU A . n 
A 1 192 GLU 192 199 199 GLU GLU A . n 
A 1 193 GLU 193 200 200 GLU GLU A . n 
A 1 194 ARG 194 201 201 ARG ARG A . n 
A 1 195 ARG 195 202 202 ARG ARG A . n 
A 1 196 ILE 196 203 203 ILE ILE A . n 
A 1 197 LYS 197 204 204 LYS LYS A . n 
A 1 198 GLU 198 205 205 GLU GLU A . n 
A 1 199 ILE 199 206 206 ILE ILE A . n 
A 1 200 VAL 200 207 207 VAL VAL A . n 
A 1 201 LYS 201 208 208 LYS LYS A . n 
A 1 202 LYS 202 209 209 LYS LYS A . n 
A 1 203 HIS 203 210 210 HIS HIS A . n 
A 1 204 SER 204 211 211 SER SER A . n 
A 1 205 GLN 205 212 212 GLN GLN A . n 
A 1 206 PHE 206 213 213 PHE PHE A . n 
A 1 207 ILE 207 214 214 ILE ILE A . n 
A 1 208 GLY 208 215 215 GLY GLY A . n 
A 1 209 TYR 209 216 216 TYR TYR A . n 
A 1 210 PRO 210 217 217 PRO PRO A . n 
A 1 211 ILE 211 218 218 ILE ILE A . n 
A 1 212 THR 212 219 219 THR THR A . n 
A 1 213 LEU 213 220 220 LEU LEU A . n 
A 1 214 PHE 214 221 221 PHE PHE A . n 
A 1 215 VAL 215 222 222 VAL VAL A . n 
A 1 216 GLU 216 223 223 GLU GLU A . n 
A 1 217 LYS 217 224 224 LYS LYS A . n 
A 1 218 GLU 218 225 ?   ?   ?   A . n 
A 1 219 ARG 219 226 ?   ?   ?   A . n 
A 1 220 ASP 220 227 ?   ?   ?   A . n 
A 1 221 LYS 221 228 ?   ?   ?   A . n 
A 1 222 GLU 222 229 ?   ?   ?   A . n 
A 1 223 VAL 223 230 ?   ?   ?   A . n 
A 1 224 SER 224 231 ?   ?   ?   A . n 
A 1 225 ASP 225 232 ?   ?   ?   A . n 
A 1 226 ASP 226 233 ?   ?   ?   A . n 
A 1 227 GLU 227 234 ?   ?   ?   A . n 
A 1 228 ALA 228 235 ?   ?   ?   A . n 
A 1 229 GLU 229 236 ?   ?   ?   A . n 
A 1 230 LEU 230 237 ?   ?   ?   A . n 
A 1 231 GLU 231 238 ?   ?   ?   A . n 
A 1 232 HIS 232 239 ?   ?   ?   A . n 
A 1 233 HIS 233 240 ?   ?   ?   A . n 
A 1 234 HIS 234 241 ?   ?   ?   A . n 
A 1 235 HIS 235 242 ?   ?   ?   A . n 
A 1 236 HIS 236 243 ?   ?   ?   A . n 
A 1 237 HIS 237 244 ?   ?   ?   A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A7Q 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A7Q 
_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 A7Q 1   301 301 A7Q AIY A . 
C 3 HOH 1   401 170 HOH HOH A . 
C 3 HOH 2   402 12  HOH HOH A . 
C 3 HOH 3   403 242 HOH HOH A . 
C 3 HOH 4   404 90  HOH HOH A . 
C 3 HOH 5   405 245 HOH HOH A . 
C 3 HOH 6   406 117 HOH HOH A . 
C 3 HOH 7   407 261 HOH HOH A . 
C 3 HOH 8   408 254 HOH HOH A . 
C 3 HOH 9   409 113 HOH HOH A . 
C 3 HOH 10  410 285 HOH HOH A . 
C 3 HOH 11  411 94  HOH HOH A . 
C 3 HOH 12  412 46  HOH HOH A . 
C 3 HOH 13  413 88  HOH HOH A . 
C 3 HOH 14  414 163 HOH HOH A . 
C 3 HOH 15  415 208 HOH HOH A . 
C 3 HOH 16  416 61  HOH HOH A . 
C 3 HOH 17  417 124 HOH HOH A . 
C 3 HOH 18  418 173 HOH HOH A . 
C 3 HOH 19  419 140 HOH HOH A . 
C 3 HOH 20  420 115 HOH HOH A . 
C 3 HOH 21  421 210 HOH HOH A . 
C 3 HOH 22  422 190 HOH HOH A . 
C 3 HOH 23  423 106 HOH HOH A . 
C 3 HOH 24  424 36  HOH HOH A . 
C 3 HOH 25  425 171 HOH HOH A . 
C 3 HOH 26  426 30  HOH HOH A . 
C 3 HOH 27  427 41  HOH HOH A . 
C 3 HOH 28  428 38  HOH HOH A . 
C 3 HOH 29  429 250 HOH HOH A . 
C 3 HOH 30  430 142 HOH HOH A . 
C 3 HOH 31  431 221 HOH HOH A . 
C 3 HOH 32  432 191 HOH HOH A . 
C 3 HOH 33  433 34  HOH HOH A . 
C 3 HOH 34  434 42  HOH HOH A . 
C 3 HOH 35  435 19  HOH HOH A . 
C 3 HOH 36  436 165 HOH HOH A . 
C 3 HOH 37  437 109 HOH HOH A . 
C 3 HOH 38  438 74  HOH HOH A . 
C 3 HOH 39  439 22  HOH HOH A . 
C 3 HOH 40  440 129 HOH HOH A . 
C 3 HOH 41  441 87  HOH HOH A . 
C 3 HOH 42  442 28  HOH HOH A . 
C 3 HOH 43  443 139 HOH HOH A . 
C 3 HOH 44  444 47  HOH HOH A . 
C 3 HOH 45  445 57  HOH HOH A . 
C 3 HOH 46  446 119 HOH HOH A . 
C 3 HOH 47  447 105 HOH HOH A . 
C 3 HOH 48  448 249 HOH HOH A . 
C 3 HOH 49  449 146 HOH HOH A . 
C 3 HOH 50  450 251 HOH HOH A . 
C 3 HOH 51  451 71  HOH HOH A . 
C 3 HOH 52  452 1   HOH HOH A . 
C 3 HOH 53  453 2   HOH HOH A . 
C 3 HOH 54  454 48  HOH HOH A . 
C 3 HOH 55  455 53  HOH HOH A . 
C 3 HOH 56  456 108 HOH HOH A . 
C 3 HOH 57  457 27  HOH HOH A . 
C 3 HOH 58  458 6   HOH HOH A . 
C 3 HOH 59  459 156 HOH HOH A . 
C 3 HOH 60  460 84  HOH HOH A . 
C 3 HOH 61  461 17  HOH HOH A . 
C 3 HOH 62  462 247 HOH HOH A . 
C 3 HOH 63  463 62  HOH HOH A . 
C 3 HOH 64  464 98  HOH HOH A . 
C 3 HOH 65  465 228 HOH HOH A . 
C 3 HOH 66  466 103 HOH HOH A . 
C 3 HOH 67  467 182 HOH HOH A . 
C 3 HOH 68  468 99  HOH HOH A . 
C 3 HOH 69  469 147 HOH HOH A . 
C 3 HOH 70  470 154 HOH HOH A . 
C 3 HOH 71  471 67  HOH HOH A . 
C 3 HOH 72  472 29  HOH HOH A . 
C 3 HOH 73  473 276 HOH HOH A . 
C 3 HOH 74  474 8   HOH HOH A . 
C 3 HOH 75  475 33  HOH HOH A . 
C 3 HOH 76  476 11  HOH HOH A . 
C 3 HOH 77  477 43  HOH HOH A . 
C 3 HOH 78  478 97  HOH HOH A . 
C 3 HOH 79  479 80  HOH HOH A . 
C 3 HOH 80  480 157 HOH HOH A . 
C 3 HOH 81  481 13  HOH HOH A . 
C 3 HOH 82  482 76  HOH HOH A . 
C 3 HOH 83  483 189 HOH HOH A . 
C 3 HOH 84  484 21  HOH HOH A . 
C 3 HOH 85  485 209 HOH HOH A . 
C 3 HOH 86  486 25  HOH HOH A . 
C 3 HOH 87  487 9   HOH HOH A . 
C 3 HOH 88  488 49  HOH HOH A . 
C 3 HOH 89  489 75  HOH HOH A . 
C 3 HOH 90  490 32  HOH HOH A . 
C 3 HOH 91  491 246 HOH HOH A . 
C 3 HOH 92  492 125 HOH HOH A . 
C 3 HOH 93  493 63  HOH HOH A . 
C 3 HOH 94  494 143 HOH HOH A . 
C 3 HOH 95  495 266 HOH HOH A . 
C 3 HOH 96  496 92  HOH HOH A . 
C 3 HOH 97  497 259 HOH HOH A . 
C 3 HOH 98  498 196 HOH HOH A . 
C 3 HOH 99  499 144 HOH HOH A . 
C 3 HOH 100 500 172 HOH HOH A . 
C 3 HOH 101 501 10  HOH HOH A . 
C 3 HOH 102 502 282 HOH HOH A . 
C 3 HOH 103 503 198 HOH HOH A . 
C 3 HOH 104 504 155 HOH HOH A . 
C 3 HOH 105 505 50  HOH HOH A . 
C 3 HOH 106 506 26  HOH HOH A . 
C 3 HOH 107 507 152 HOH HOH A . 
C 3 HOH 108 508 58  HOH HOH A . 
C 3 HOH 109 509 107 HOH HOH A . 
C 3 HOH 110 510 69  HOH HOH A . 
C 3 HOH 111 511 197 HOH HOH A . 
C 3 HOH 112 512 93  HOH HOH A . 
C 3 HOH 113 513 130 HOH HOH A . 
C 3 HOH 114 514 31  HOH HOH A . 
C 3 HOH 115 515 183 HOH HOH A . 
C 3 HOH 116 516 110 HOH HOH A . 
C 3 HOH 117 517 20  HOH HOH A . 
C 3 HOH 118 518 133 HOH HOH A . 
C 3 HOH 119 519 134 HOH HOH A . 
C 3 HOH 120 520 35  HOH HOH A . 
C 3 HOH 121 521 96  HOH HOH A . 
C 3 HOH 122 522 45  HOH HOH A . 
C 3 HOH 123 523 68  HOH HOH A . 
C 3 HOH 124 524 121 HOH HOH A . 
C 3 HOH 125 525 60  HOH HOH A . 
C 3 HOH 126 526 4   HOH HOH A . 
C 3 HOH 127 527 59  HOH HOH A . 
C 3 HOH 128 528 5   HOH HOH A . 
C 3 HOH 129 529 123 HOH HOH A . 
C 3 HOH 130 530 271 HOH HOH A . 
C 3 HOH 131 531 220 HOH HOH A . 
C 3 HOH 132 532 14  HOH HOH A . 
C 3 HOH 133 533 148 HOH HOH A . 
C 3 HOH 134 534 185 HOH HOH A . 
C 3 HOH 135 535 141 HOH HOH A . 
C 3 HOH 136 536 116 HOH HOH A . 
C 3 HOH 137 537 120 HOH HOH A . 
C 3 HOH 138 538 23  HOH HOH A . 
C 3 HOH 139 539 114 HOH HOH A . 
C 3 HOH 140 540 18  HOH HOH A . 
C 3 HOH 141 541 55  HOH HOH A . 
C 3 HOH 142 542 52  HOH HOH A . 
C 3 HOH 143 543 131 HOH HOH A . 
C 3 HOH 144 544 91  HOH HOH A . 
C 3 HOH 145 545 212 HOH HOH A . 
C 3 HOH 146 546 194 HOH HOH A . 
C 3 HOH 147 547 83  HOH HOH A . 
C 3 HOH 148 548 24  HOH HOH A . 
C 3 HOH 149 549 277 HOH HOH A . 
C 3 HOH 150 550 237 HOH HOH A . 
C 3 HOH 151 551 202 HOH HOH A . 
C 3 HOH 152 552 234 HOH HOH A . 
C 3 HOH 153 553 70  HOH HOH A . 
C 3 HOH 154 554 122 HOH HOH A . 
C 3 HOH 155 555 253 HOH HOH A . 
C 3 HOH 156 556 86  HOH HOH A . 
C 3 HOH 157 557 269 HOH HOH A . 
C 3 HOH 158 558 15  HOH HOH A . 
C 3 HOH 159 559 243 HOH HOH A . 
C 3 HOH 160 560 218 HOH HOH A . 
C 3 HOH 161 561 64  HOH HOH A . 
C 3 HOH 162 562 167 HOH HOH A . 
C 3 HOH 163 563 186 HOH HOH A . 
C 3 HOH 164 564 78  HOH HOH A . 
C 3 HOH 165 565 158 HOH HOH A . 
C 3 HOH 166 566 231 HOH HOH A . 
C 3 HOH 167 567 252 HOH HOH A . 
C 3 HOH 168 568 258 HOH HOH A . 
C 3 HOH 169 569 127 HOH HOH A . 
C 3 HOH 170 570 126 HOH HOH A . 
C 3 HOH 171 571 138 HOH HOH A . 
C 3 HOH 172 572 153 HOH HOH A . 
C 3 HOH 173 573 7   HOH HOH A . 
C 3 HOH 174 574 118 HOH HOH A . 
C 3 HOH 175 575 89  HOH HOH A . 
C 3 HOH 176 576 274 HOH HOH A . 
C 3 HOH 177 577 40  HOH HOH A . 
C 3 HOH 178 578 283 HOH HOH A . 
C 3 HOH 179 579 37  HOH HOH A . 
C 3 HOH 180 580 39  HOH HOH A . 
C 3 HOH 181 581 44  HOH HOH A . 
C 3 HOH 182 582 85  HOH HOH A . 
C 3 HOH 183 583 232 HOH HOH A . 
C 3 HOH 184 584 263 HOH HOH A . 
C 3 HOH 185 585 82  HOH HOH A . 
C 3 HOH 186 586 278 HOH HOH A . 
C 3 HOH 187 587 79  HOH HOH A . 
C 3 HOH 188 588 3   HOH HOH A . 
C 3 HOH 189 589 215 HOH HOH A . 
C 3 HOH 190 590 222 HOH HOH A . 
C 3 HOH 191 591 95  HOH HOH A . 
C 3 HOH 192 592 81  HOH HOH A . 
C 3 HOH 193 593 273 HOH HOH A . 
C 3 HOH 194 594 65  HOH HOH A . 
C 3 HOH 195 595 292 HOH HOH A . 
C 3 HOH 196 596 264 HOH HOH A . 
C 3 HOH 197 597 291 HOH HOH A . 
C 3 HOH 198 598 16  HOH HOH A . 
C 3 HOH 199 599 166 HOH HOH A . 
C 3 HOH 200 600 200 HOH HOH A . 
C 3 HOH 201 601 229 HOH HOH A . 
C 3 HOH 202 602 224 HOH HOH A . 
C 3 HOH 203 603 195 HOH HOH A . 
C 3 HOH 204 604 204 HOH HOH A . 
C 3 HOH 205 605 201 HOH HOH A . 
C 3 HOH 206 606 211 HOH HOH A . 
C 3 HOH 207 607 236 HOH HOH A . 
C 3 HOH 208 608 176 HOH HOH A . 
C 3 HOH 209 609 219 HOH HOH A . 
C 3 HOH 210 610 101 HOH HOH A . 
C 3 HOH 211 611 54  HOH HOH A . 
C 3 HOH 212 612 262 HOH HOH A . 
C 3 HOH 213 613 206 HOH HOH A . 
C 3 HOH 214 614 257 HOH HOH A . 
C 3 HOH 215 615 265 HOH HOH A . 
C 3 HOH 216 616 286 HOH HOH A . 
C 3 HOH 217 617 290 HOH HOH A . 
C 3 HOH 218 618 227 HOH HOH A . 
C 3 HOH 219 619 216 HOH HOH A . 
C 3 HOH 220 620 225 HOH HOH A . 
C 3 HOH 221 621 177 HOH HOH A . 
C 3 HOH 222 622 111 HOH HOH A . 
C 3 HOH 223 623 160 HOH HOH A . 
C 3 HOH 224 624 184 HOH HOH A . 
C 3 HOH 225 625 72  HOH HOH A . 
C 3 HOH 226 626 178 HOH HOH A . 
C 3 HOH 227 627 56  HOH HOH A . 
C 3 HOH 228 628 248 HOH HOH A . 
C 3 HOH 229 629 214 HOH HOH A . 
C 3 HOH 230 630 181 HOH HOH A . 
C 3 HOH 231 631 179 HOH HOH A . 
C 3 HOH 232 632 136 HOH HOH A . 
C 3 HOH 233 633 51  HOH HOH A . 
C 3 HOH 234 634 137 HOH HOH A . 
C 3 HOH 235 635 241 HOH HOH A . 
C 3 HOH 236 636 161 HOH HOH A . 
C 3 HOH 237 637 260 HOH HOH A . 
C 3 HOH 238 638 188 HOH HOH A . 
C 3 HOH 239 639 100 HOH HOH A . 
C 3 HOH 240 640 287 HOH HOH A . 
C 3 HOH 241 641 199 HOH HOH A . 
C 3 HOH 242 642 207 HOH HOH A . 
C 3 HOH 243 643 73  HOH HOH A . 
C 3 HOH 244 644 280 HOH HOH A . 
C 3 HOH 245 645 164 HOH HOH A . 
C 3 HOH 246 646 272 HOH HOH A . 
C 3 HOH 247 647 275 HOH HOH A . 
C 3 HOH 248 648 240 HOH HOH A . 
C 3 HOH 249 649 288 HOH HOH A . 
C 3 HOH 250 650 104 HOH HOH A . 
C 3 HOH 251 651 256 HOH HOH A . 
C 3 HOH 252 652 279 HOH HOH A . 
C 3 HOH 253 653 159 HOH HOH A . 
C 3 HOH 254 654 223 HOH HOH A . 
C 3 HOH 255 655 205 HOH HOH A . 
C 3 HOH 256 656 175 HOH HOH A . 
C 3 HOH 257 657 270 HOH HOH A . 
C 3 HOH 258 658 217 HOH HOH A . 
C 3 HOH 259 659 238 HOH HOH A . 
C 3 HOH 260 660 293 HOH HOH A . 
C 3 HOH 261 661 267 HOH HOH A . 
C 3 HOH 262 662 281 HOH HOH A . 
C 3 HOH 263 663 112 HOH HOH A . 
C 3 HOH 264 664 187 HOH HOH A . 
C 3 HOH 265 665 289 HOH HOH A . 
C 3 HOH 266 666 294 HOH HOH A . 
C 3 HOH 267 667 66  HOH HOH A . 
C 3 HOH 268 668 193 HOH HOH A . 
C 3 HOH 269 669 213 HOH HOH A . 
C 3 HOH 270 670 151 HOH HOH A . 
C 3 HOH 271 671 226 HOH HOH A . 
C 3 HOH 272 672 149 HOH HOH A . 
C 3 HOH 273 673 233 HOH HOH A . 
C 3 HOH 274 674 230 HOH HOH A . 
C 3 HOH 275 675 128 HOH HOH A . 
C 3 HOH 276 676 77  HOH HOH A . 
C 3 HOH 277 677 255 HOH HOH A . 
C 3 HOH 278 678 192 HOH HOH A . 
C 3 HOH 279 679 132 HOH HOH A . 
C 3 HOH 280 680 239 HOH HOH A . 
C 3 HOH 281 681 145 HOH HOH A . 
C 3 HOH 282 682 150 HOH HOH A . 
C 3 HOH 283 683 135 HOH HOH A . 
C 3 HOH 284 684 174 HOH HOH A . 
C 3 HOH 285 685 180 HOH HOH A . 
C 3 HOH 286 686 162 HOH HOH A . 
C 3 HOH 287 687 235 HOH HOH A . 
C 3 HOH 288 688 102 HOH HOH A . 
C 3 HOH 289 689 168 HOH HOH A . 
C 3 HOH 290 690 203 HOH HOH A . 
C 3 HOH 291 691 169 HOH HOH A . 
C 3 HOH 292 692 284 HOH HOH A . 
C 3 HOH 293 693 268 HOH HOH A . 
C 3 HOH 294 694 244 HOH HOH A . 
# 
loop_
_software.pdbx_ordinal 
_software.name 
_software.version 
_software.date 
_software.type 
_software.contact_author 
_software.contact_author_email 
_software.classification 
_software.location 
_software.language 
_software.citation_id 
1 XDS         .           ?               package 'Wolfgang Kabsch' Wolfgang.Kabsch@mpimf-heidelberg.mpg.de 'data reduction'  
http://www.mpimf-heidelberg.mpg.de/~kabsch/xds/     ?   ? 
2 Aimless     0.7.7       23/04/21        program 'Phil Evans'      ?                                       'data scaling'    
http://www.mrc-lmb.cam.ac.uk/harry/pre/aimless.html ?   ? 
3 DIMPLE      .           ?               program 'Marcin Wojdyr'   wojdyr@gmail.com                        phasing           
http://ccp4.github.io/dimple/                       ?   ? 
4 PHENIX      1.20.1_4487 ?               package 'Paul D. Adams'   PDAdams@lbl.gov                         refinement        
http://www.phenix-online.org/                       C++ ? 
5 PDB_EXTRACT 3.28        'Apr. 15, 2021' package PDB               deposit@deposit.rcsb.org                'data extraction' 
http://sw-tools.pdb.org/apps/PDB_EXTRACT/           C++ ? 
# 
_cell.volume             595291.748 
_cell.length_a           66.254 
_cell.length_b           89.753 
_cell.length_c           100.108 
_cell.angle_beta         90.000 
_cell.angle_gamma        90.000 
_cell.angle_alpha        90.000 
_cell.entry_id           7HB1 
_cell.Z_PDB              8 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.Int_Tables_number                23 
_symmetry.space_group_name_H-M             'I 2 2 2' 
_symmetry.space_group_name_Hall            'I 2 2' 
_symmetry.entry_id                         7HB1 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
# 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
_exptl.entry_id          7HB1 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_Matthews      2.88 
_exptl_crystal.density_percent_sol   57.23 
_exptl_crystal.density_meas          ? 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.pH              8.5 
_exptl_crystal_grow.temp            277 
_exptl_crystal_grow.pdbx_details    '100mM Tris-HCl pH 8.5, 22% PEG4000, 200mM MgCl2' 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.pdbx_pH_range   ? 
# 
_diffrn.id                     1 
_diffrn.crystal_id             1 
_diffrn.ambient_temp           100 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.detector               PIXEL 
_diffrn_detector.type                   'DECTRIS EIGER2 S 9M' 
_diffrn_detector.pdbx_collection_date   2023-07-22 
_diffrn_detector.details                ? 
# 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.pdbx_scattering_type             x-ray 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.monochromator                    Si111 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.97918 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.pdbx_synchrotron_beamline   BL02U1 
_diffrn_source.type                        'SSRF BEAMLINE BL02U1' 
_diffrn_source.pdbx_wavelength_list        0.97918 
_diffrn_source.pdbx_synchrotron_site       SSRF 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HB1 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             66.830 
_reflns.d_resolution_high            1.660 
_reflns.number_obs                   31073 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         86.800 
_reflns.pdbx_Rmerge_I_obs            0.034 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        37.300 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              9.200 
_reflns.pdbx_Rrim_I_all              0.035 
_reflns.pdbx_Rpim_I_all              0.010 
_reflns.pdbx_CC_half                 1.000 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     286006 
_reflns.pdbx_scaling_rejects         ? 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.660 1.740  ? 7197  3072 ? 0.236 ? ? ? 2.300  ? 2.900  ? ? ? ? ? ? 60.000 0.301 0.183 0.886 
1 2 5.230 66.830 ? 14341 1237 ? 0.026 ? ? ? 11.600 ? 81.700 ? ? ? ? ? ? 99.500 0.027 0.008 1.000 
# 
_refine.entry_id                                 7HB1 
_refine.pdbx_method_to_determine_struct          'FOURIER SYNTHESIS' 
_refine.ls_percent_reflns_R_free                 4.93 
_refine.pdbx_overall_phase_error                 20.1594 
_refine.solvent_model_details                    'FLAT BULK SOLVENT MODEL' 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_R_factor_obs                          0.1630 
_refine.B_iso_mean                               28.96 
_refine.ls_number_reflns_R_free                  1530 
_refine.ls_percent_reflns_obs                    86.50 
_refine.ls_R_factor_R_work                       0.1614 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.ls_d_res_high                            1.66 
_refine.ls_number_reflns_obs                     31064 
_refine.pdbx_ls_sigma_F                          1.35 
_refine.ls_number_reflns_R_work                  29534 
_refine.ls_d_res_low                             27.62 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.ls_R_factor_R_free                       0.1934 
_refine.overall_SU_ML                            0.1707 
_refine.pdbx_solvent_vdw_probe_radii             1.1000 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.occupancy_min                            ? 
_refine.occupancy_max                            ? 
_refine.correlation_coeff_Fo_to_Fc               ? 
_refine.correlation_coeff_Fo_to_Fc_free          ? 
_refine.aniso_B[1][1]                            ? 
_refine.aniso_B[2][2]                            ? 
_refine.aniso_B[3][3]                            ? 
_refine.aniso_B[1][2]                            ? 
_refine.aniso_B[1][3]                            ? 
_refine.aniso_B[2][3]                            ? 
_refine.solvent_model_param_ksol                 ? 
_refine.solvent_model_param_bsol                 ? 
_refine.pdbx_solvent_ion_probe_radii             ? 
_refine.details                                  ? 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_overall_ESU_R                       ? 
_refine.pdbx_overall_ESU_R_Free                  ? 
_refine.overall_SU_B                             ? 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.pdbx_number_atoms_protein        1644 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         15 
_refine_hist.number_atoms_solvent             294 
_refine_hist.number_atoms_total               1953 
_refine_hist.d_res_high                       1.66 
_refine_hist.d_res_low                        27.62 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.type 
_refine_ls_restr.number 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
_refine_ls_restr.dev_ideal_target 
'X-RAY DIFFRACTION' f_bond_d           1686 0.0086 ? ? ? 
'X-RAY DIFFRACTION' f_angle_d          2271 1.0269 ? ? ? 
'X-RAY DIFFRACTION' f_chiral_restr     259  0.0673 ? ? ? 
'X-RAY DIFFRACTION' f_plane_restr      289  0.0086 ? ? ? 
'X-RAY DIFFRACTION' f_dihedral_angle_d 225  7.2566 ? ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.R_factor_R_free 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.R_factor_all 
'X-RAY DIFFRACTION' 1.66 1.71  1683 0.2570 55.11  0.2594 90  . . . . . 
'X-RAY DIFFRACTION' 1.71 1.77  2113 0.2120 68.51  0.2712 93  . . . . . 
'X-RAY DIFFRACTION' 1.77 1.84  2516 0.1737 81.89  0.1944 138 . . . . . 
'X-RAY DIFFRACTION' 1.84 1.91  2517 0.1726 93.56  0.2249 114 . . . . . 
'X-RAY DIFFRACTION' 1.92 2.03  3059 0.1717 99.44  0.1904 152 . . . . . 
'X-RAY DIFFRACTION' 2.03 2.15  2728 0.1653 89.41  0.2157 158 . . . . . 
'X-RAY DIFFRACTION' 2.15 2.32  2635 0.1654 84.84  0.1905 118 . . . . . 
'X-RAY DIFFRACTION' 2.32 2.55  3111 0.1655 100.00 0.1895 164 . . . . . 
'X-RAY DIFFRACTION' 2.55 2.92  3097 0.1718 100.00 0.2203 166 . . . . . 
'X-RAY DIFFRACTION' 2.92 3.65  2899 0.1574 95.78  0.1728 184 . . . . . 
'X-RAY DIFFRACTION' 3.69 27.62 3176 0.1437 97.28  0.1834 153 . . . . . 
# 
_struct.entry_id                  7HB1 
_struct.title                     'PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12936' 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_details        ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HB1 
_struct_keywords.pdbx_keywords   CHAPERONE 
_struct_keywords.text            
'Crystallographic Fragment Screening; Fragment-Based Drug Discovery (FBDD); Heat shock protein 90 (HSP90), CHAPERONE' 
# 
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 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    HS90A_HUMAN 
_struct_ref.pdbx_db_accession          P07900 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;DQPMEEEEVETFAFQAEIAQLMSLIINTFYSNKEIFLRELISNSSDALDKIRYESLTDPSKLDSGKELHINLIPNKQDRT
LTIVDTGIGMTKADLINNLGTIAKSGTKAFMEALQAGADISMIGQFGVGFYSAYLVAEKVTVITKHNDDEQYAWESSAGG
SFTVRTDTGEPMGRGTKVILHLKEDQTEYLEERRIKEIVKKHSQFIGYPITLFVEKERDKEVSDDEAE
;
_struct_ref.pdbx_align_begin           9 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7HB1 
_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                 229 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P07900 
_struct_ref_seq.db_align_beg                  9 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  236 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       9 
_struct_ref_seq.pdbx_auth_seq_align_end       236 
# 
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 7HB1 MET A 1   ? UNP P07900 ? ? 'initiating methionine' 8   1 
1 7HB1 LEU A 230 ? UNP P07900 ? ? 'expression tag'        237 2 
1 7HB1 GLU A 231 ? UNP P07900 ? ? 'expression tag'        238 3 
1 7HB1 HIS A 232 ? UNP P07900 ? ? 'expression tag'        239 4 
1 7HB1 HIS A 233 ? UNP P07900 ? ? 'expression tag'        240 5 
1 7HB1 HIS A 234 ? UNP P07900 ? ? 'expression tag'        241 6 
1 7HB1 HIS A 235 ? UNP P07900 ? ? 'expression tag'        242 7 
1 7HB1 HIS A 236 ? UNP P07900 ? ? 'expression tag'        243 8 
1 7HB1 HIS A 237 ? UNP P07900 ? ? 'expression tag'        244 9 
# 
_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 
# 
_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 GLN A 16  ? THR A 29  ? GLN A 23  THR A 36  1 ? 14 
HELX_P HELX_P2  AA2 GLU A 35  ? LEU A 57  ? GLU A 42  LEU A 64  1 ? 23 
HELX_P HELX_P3  AA3 THR A 58  ? ASP A 64  ? THR A 65  ASP A 71  5 ? 7  
HELX_P HELX_P4  AA4 THR A 92  ? ASN A 98  ? THR A 99  ASN A 105 1 ? 7  
HELX_P HELX_P5  AA5 ASN A 99  ? THR A 102 ? ASN A 106 THR A 109 5 ? 4  
HELX_P HELX_P6  AA6 ILE A 103 ? ALA A 117 ? ILE A 110 ALA A 124 1 ? 15 
HELX_P HELX_P7  AA7 ASP A 120 ? GLY A 128 ? ASP A 127 GLY A 135 5 ? 9  
HELX_P HELX_P8  AA8 VAL A 129 ? LEU A 136 ? VAL A 136 LEU A 143 5 ? 8  
HELX_P HELX_P9  AA9 GLN A 187 ? LEU A 191 ? GLN A 194 LEU A 198 5 ? 5  
HELX_P HELX_P10 AB1 GLU A 192 ? SER A 204 ? GLU A 199 SER A 211 1 ? 13 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   8 
_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 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA1 7 8 ? 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 VAL A 10  ? ALA A 14  ? VAL A 17  ALA A 21  
AA1 2 SER A 162 ? THR A 167 ? SER A 169 THR A 174 
AA1 3 TYR A 153 ? SER A 157 ? TYR A 160 SER A 164 
AA1 4 ALA A 138 ? LYS A 146 ? ALA A 145 LYS A 153 
AA1 5 GLY A 176 ? LEU A 183 ? GLY A 183 LEU A 190 
AA1 6 THR A 81  ? ASP A 86  ? THR A 88  ASP A 93  
AA1 7 ILE A 71  ? ASN A 76  ? ILE A 78  ASN A 83  
AA1 8 ILE A 211 ? LEU A 213 ? ILE A 218 LEU A 220 
# 
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 PHE A 13  ? N PHE A 20  O PHE A 163 ? O PHE A 170 
AA1 2 3 O ARG A 166 ? O ARG A 173 N ALA A 154 ? N ALA A 161 
AA1 3 4 O TRP A 155 ? O TRP A 162 N VAL A 143 ? N VAL A 150 
AA1 4 5 N THR A 142 ? N THR A 149 O ILE A 180 ? O ILE A 187 
AA1 5 6 O LEU A 181 ? O LEU A 188 N LEU A 82  ? N LEU A 89  
AA1 6 7 O THR A 83  ? O THR A 90  N ILE A 74  ? N ILE A 81  
AA1 7 8 N LEU A 73  ? N LEU A 80  O THR A 212 ? O THR A 219 
# 
_pdbx_entry_details.entry_id                   7HB1 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_protein_modification   N 
# 
loop_
_pdbx_validate_close_contact.id 
_pdbx_validate_close_contact.PDB_model_num 
_pdbx_validate_close_contact.auth_atom_id_1 
_pdbx_validate_close_contact.auth_asym_id_1 
_pdbx_validate_close_contact.auth_comp_id_1 
_pdbx_validate_close_contact.auth_seq_id_1 
_pdbx_validate_close_contact.PDB_ins_code_1 
_pdbx_validate_close_contact.label_alt_id_1 
_pdbx_validate_close_contact.auth_atom_id_2 
_pdbx_validate_close_contact.auth_asym_id_2 
_pdbx_validate_close_contact.auth_comp_id_2 
_pdbx_validate_close_contact.auth_seq_id_2 
_pdbx_validate_close_contact.PDB_ins_code_2 
_pdbx_validate_close_contact.label_alt_id_2 
_pdbx_validate_close_contact.dist 
1 1 NZ A LYS 224 ? ? O A HOH 401 ? ? 1.83 
2 1 O  A HOH 602 ? ? O A HOH 654 ? ? 1.91 
3 1 O  A HOH 590 ? ? O A HOH 614 ? ? 1.99 
4 1 O  A HOH 405 ? ? O A HOH 618 ? ? 2.09 
5 1 O  A HOH 619 ? ? O A HOH 629 ? ? 2.12 
6 1 O  A HOH 450 ? ? O A HOH 497 ? ? 2.18 
7 1 O  A HOH 470 ? ? O A HOH 576 ? ? 2.18 
8 1 O  A A7Q 301 ? ? O A HOH 402 ? ? 2.18 
9 1 NZ A LYS 112 ? ? O A HOH 403 ? ? 2.19 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O A HOH 491 ? ? 1_555 O A HOH 586 ? ? 3_555 1.80 
2 1 O A HOH 635 ? ? 1_555 O A HOH 635 ? ? 2_555 2.17 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ALA A 166 ? ? 62.89   -143.33 
2 1 ARG A 182 ? ? -170.88 138.54  
# 
loop_
_pdbx_struct_special_symmetry.id 
_pdbx_struct_special_symmetry.PDB_model_num 
_pdbx_struct_special_symmetry.auth_asym_id 
_pdbx_struct_special_symmetry.auth_comp_id 
_pdbx_struct_special_symmetry.auth_seq_id 
_pdbx_struct_special_symmetry.PDB_ins_code 
_pdbx_struct_special_symmetry.label_asym_id 
_pdbx_struct_special_symmetry.label_comp_id 
_pdbx_struct_special_symmetry.label_seq_id 
1 1 A HOH 652 ? C HOH . 
2 1 A HOH 665 ? C HOH . 
3 1 A HOH 667 ? C HOH . 
# 
loop_
_space_group_symop.id 
_space_group_symop.operation_xyz 
1 x,y,z               
2 x,-y,-z             
3 -x,y,-z             
4 -x,-y,z             
5 x+1/2,y+1/2,z+1/2   
6 x+1/2,-y+1/2,-z+1/2 
7 -x+1/2,y+1/2,-z+1/2 
8 -x+1/2,-y+1/2,z+1/2 
# 
loop_
_pdbx_refine_tls.id 
_pdbx_refine_tls.details 
_pdbx_refine_tls.pdbx_refine_id 
_pdbx_refine_tls.method 
_pdbx_refine_tls.origin_x 
_pdbx_refine_tls.origin_y 
_pdbx_refine_tls.origin_z 
_pdbx_refine_tls.T[1][1] 
_pdbx_refine_tls.T[2][2] 
_pdbx_refine_tls.T[3][3] 
_pdbx_refine_tls.T[1][2] 
_pdbx_refine_tls.T[1][3] 
_pdbx_refine_tls.T[2][3] 
_pdbx_refine_tls.L[1][1] 
_pdbx_refine_tls.L[2][2] 
_pdbx_refine_tls.L[3][3] 
_pdbx_refine_tls.L[1][2] 
_pdbx_refine_tls.L[1][3] 
_pdbx_refine_tls.L[2][3] 
_pdbx_refine_tls.S[1][1] 
_pdbx_refine_tls.S[1][2] 
_pdbx_refine_tls.S[1][3] 
_pdbx_refine_tls.S[2][1] 
_pdbx_refine_tls.S[2][2] 
_pdbx_refine_tls.S[2][3] 
_pdbx_refine_tls.S[3][1] 
_pdbx_refine_tls.S[3][2] 
_pdbx_refine_tls.S[3][3] 
1  ? 'X-RAY DIFFRACTION' refined 12.4083274722  -17.8651462251 -18.6812290274 0.13777198525  0.163540841882 0.181868208884 
0.0123488340424   -0.0348758805101  -0.0224900487249  3.51939653477  1.35802781881 8.0604053769  -1.22845417885   -3.84359585337  
0.787095433577   0.131477354295    -0.269728656246  -0.0128527064427 0.0244473357885 -0.0758586884498 -0.045173404993  
-0.0256993134573 0.30634454022    -0.0697921637562 
2  ? 'X-RAY DIFFRACTION' refined -5.20729574835 -6.33299586487 -20.8795888382 0.154829489373 0.142924873818 0.187793874482 
-0.00436295821208 -0.0137702723881  -0.042535460972   2.44955606793  7.26208415539 9.50060788677 -3.19486523184   3.78021195678   
-7.1104499064    -0.0701932926382  0.0803927300066  0.173558750767   0.0947845838342 -0.105430312927  0.00221261654996 
-0.337470286341  0.15753435188    0.169244487352   
3  ? 'X-RAY DIFFRACTION' refined -13.5888423971 -10.8884419727 -28.0431282139 0.159507806408 0.190699924813 0.239814027885 
0.0141708789152   -0.0780810039081  -0.0425608270577  1.77854170133  6.01833195672 8.72758036355 -1.02496122076   0.480483568606  
-5.95130905018   0.0940834427055   0.216956053535   0.00519866954656 -0.176256266469 0.177562601489   0.547817312124   
-0.202449143233  -0.489438587201  -0.346582367436  
4  ? 'X-RAY DIFFRACTION' refined -5.99327784995 -19.9049460153 -21.890363081  0.160380381037 0.109338859961 0.177424167224 
-0.00456983737536 -0.038246607401   -0.0509356624115  2.44975728168  5.09935633328 6.926529044   -0.339227711537  -0.738446495605 
-4.49620298689   0.000528293139017 -0.0253528830544 -0.229802257958  -0.200601163824 0.113908113153   0.167681134432   
0.417833365865   -0.0265900505901 -0.101311666661  
5  ? 'X-RAY DIFFRACTION' refined 6.99996409099  -11.0411156982 -29.7285485983 0.198520241702 0.21176333478  0.225328578734 
0.0260371707327   0.00599746535604  0.00296365621665  6.22342892494  7.52139940658 4.77182437632 4.25471136195    4.86955710983   
5.43427731958    -0.0232320398082  0.279289813768   0.19453605842    -0.464575537655 -0.130369669251  -0.0823333086115 
-0.322955764474  0.214872234434   0.227699227797   
6  ? 'X-RAY DIFFRACTION' refined 12.313882244   -5.91519655569 -12.5516263567 0.259182924285 0.473952149264 0.360643011132 
-0.104075513171   -0.00046902431802 -0.148130812101   0.346507611522 3.68605326391 5.99204724426 0.118853859332   0.600134397588  
0.33640894015    0.424174603347    -1.21502781191   0.844136896923   0.368142250391  -0.0223989212656 -0.301589560399  
-0.92880938858   1.36252962319    0.0484802191163  
7  ? 'X-RAY DIFFRACTION' refined 0.989306916363 -19.2881861333 -27.8891263628 0.153805244717 0.128749236063 0.183806779069 
-0.00296052923263 -0.0241248341697  -0.0503082776465  3.37647033557  1.70758010174 3.03223186793 -1.1686077883    0.360926624214  
-0.0256060802385 0.137919649641    0.311705562812   -0.322506178373  -0.173213508917 -0.0923487956331 0.170131095758   
0.20975764789    0.0290852275177  -0.0941613217104 
8  ? 'X-RAY DIFFRACTION' refined -2.49988861207 -23.7391955454 -13.754219676  0.18320441148  0.134385827525 0.201643272043 
0.0111809976713   -0.0248502517605  -0.00721198640101 3.2262978199   6.09518863527 2.38253977089 -0.313630727728  -0.605589173345 
-3.6257285601    0.0148403415086   -0.23853932576   -0.32596912913   0.0589906300119 -0.0324217725567 -0.118460512418  
0.385391283836   0.151424526099   -0.0217837086736 
9  ? 'X-RAY DIFFRACTION' refined -9.91297160238 -15.3035368773 -5.64596435329 0.207069451209 0.259213596417 0.159007658524 
-0.00735105965574 -0.00675351006581 0.00146266712418  6.85217659955  3.11687571137 3.16233121059 0.432720844335   -1.59019318142  
-2.93800219952   0.107280141768    -0.415349907553  -0.157827544748  0.3742546004    0.0893724541491  0.420832979802   
-0.100310847527  -0.11830936175   -0.168132462894  
10 ? 'X-RAY DIFFRACTION' refined -14.0598476414 -13.4415995514 -14.632403893  0.131472273351 0.180789174235 0.131676697159 
-0.013263133489   -0.010237087594   -0.0209769790191  5.25111634128  2.59073583368 5.1275352214  -0.0689352968683 -0.489690268843 
-0.261902561512  0.0655027235182   -0.398702087287  -0.0773620607185 0.548954781128  -0.107468795161  0.0123852312908  
-0.206860736046  -0.290124092353  0.0643046298115  
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1  1  'X-RAY DIFFRACTION' A 16  A 1   A 40  A 25  . 
;chain 'A' and (resid 16 through 40 )
;
2  2  'X-RAY DIFFRACTION' A 41  A 26  A 65  A 50  . 
;chain 'A' and (resid 41 through 65 )
;
3  3  'X-RAY DIFFRACTION' A 66  A 51  A 83  A 68  . 
;chain 'A' and (resid 66 through 83 )
;
4  4  'X-RAY DIFFRACTION' A 84  A 69  A 99  A 84  . 
;chain 'A' and (resid 84 through 99 )
;
5  5  'X-RAY DIFFRACTION' A 100 A 85  A 110 A 95  . 
;chain 'A' and (resid 100 through 110 )
;
6  6  'X-RAY DIFFRACTION' A 111 A 96  A 136 A 121 . 
;chain 'A' and (resid 111 through 136 )
;
7  7  'X-RAY DIFFRACTION' A 137 A 122 A 182 A 167 . 
;chain 'A' and (resid 137 through 182 )
;
8  8  'X-RAY DIFFRACTION' A 183 A 168 A 199 A 184 . 
;chain 'A' and (resid 183 through 199 )
;
9  9  'X-RAY DIFFRACTION' A 200 A 185 A 210 A 195 . 
;chain 'A' and (resid 200 through 210 )
;
10 10 'X-RAY DIFFRACTION' A 211 A 196 A 224 A 209 . 
;chain 'A' and (resid 211 through 224 )
;
# 
loop_
_pdbx_unobs_or_zero_occ_residues.id 
_pdbx_unobs_or_zero_occ_residues.PDB_model_num 
_pdbx_unobs_or_zero_occ_residues.polymer_flag 
_pdbx_unobs_or_zero_occ_residues.occupancy_flag 
_pdbx_unobs_or_zero_occ_residues.auth_asym_id 
_pdbx_unobs_or_zero_occ_residues.auth_comp_id 
_pdbx_unobs_or_zero_occ_residues.auth_seq_id 
_pdbx_unobs_or_zero_occ_residues.PDB_ins_code 
_pdbx_unobs_or_zero_occ_residues.label_asym_id 
_pdbx_unobs_or_zero_occ_residues.label_comp_id 
_pdbx_unobs_or_zero_occ_residues.label_seq_id 
1  1 Y 1 A MET 8   ? A MET 1   
2  1 Y 1 A ASP 9   ? A ASP 2   
3  1 Y 1 A GLN 10  ? A GLN 3   
4  1 Y 1 A PRO 11  ? A PRO 4   
5  1 Y 1 A MET 12  ? A MET 5   
6  1 Y 1 A GLU 13  ? A GLU 6   
7  1 Y 1 A GLU 14  ? A GLU 7   
8  1 Y 1 A GLU 15  ? A GLU 8   
9  1 Y 1 A GLU 225 ? A GLU 218 
10 1 Y 1 A ARG 226 ? A ARG 219 
11 1 Y 1 A ASP 227 ? A ASP 220 
12 1 Y 1 A LYS 228 ? A LYS 221 
13 1 Y 1 A GLU 229 ? A GLU 222 
14 1 Y 1 A VAL 230 ? A VAL 223 
15 1 Y 1 A SER 231 ? A SER 224 
16 1 Y 1 A ASP 232 ? A ASP 225 
17 1 Y 1 A ASP 233 ? A ASP 226 
18 1 Y 1 A GLU 234 ? A GLU 227 
19 1 Y 1 A ALA 235 ? A ALA 228 
20 1 Y 1 A GLU 236 ? A GLU 229 
21 1 Y 1 A LEU 237 ? A LEU 230 
22 1 Y 1 A GLU 238 ? A GLU 231 
23 1 Y 1 A HIS 239 ? A HIS 232 
24 1 Y 1 A HIS 240 ? A HIS 233 
25 1 Y 1 A HIS 241 ? A HIS 234 
26 1 Y 1 A HIS 242 ? A HIS 235 
27 1 Y 1 A HIS 243 ? A HIS 236 
28 1 Y 1 A HIS 244 ? A HIS 237 
# 
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 
A7Q C11  C Y N 1   
A7Q C10  C Y N 2   
A7Q C9   C Y N 3   
A7Q C8   C Y N 4   
A7Q C7   C Y N 5   
A7Q C4   C Y N 6   
A7Q C5   C Y N 7   
A7Q C6   C Y N 8   
A7Q C3   C Y N 9   
A7Q C2   C Y N 10  
A7Q C1   C Y N 11  
A7Q O    O N N 12  
A7Q C    C N N 13  
A7Q N    N Y N 14  
A7Q O1   O N N 15  
A7Q H1   H N N 16  
A7Q H2   H N N 17  
A7Q H3   H N N 18  
A7Q H4   H N N 19  
A7Q H5   H N N 20  
A7Q H6   H N N 21  
A7Q H7   H N N 22  
A7Q H8   H N N 23  
A7Q H9   H N N 24  
A7Q H10  H N N 25  
A7Q H11  H N N 26  
ALA N    N N N 27  
ALA CA   C N S 28  
ALA C    C N N 29  
ALA O    O N N 30  
ALA CB   C N N 31  
ALA OXT  O N N 32  
ALA H    H N N 33  
ALA H2   H N N 34  
ALA HA   H N N 35  
ALA HB1  H N N 36  
ALA HB2  H N N 37  
ALA HB3  H N N 38  
ALA HXT  H N N 39  
ARG N    N N N 40  
ARG CA   C N S 41  
ARG C    C N N 42  
ARG O    O N N 43  
ARG CB   C N N 44  
ARG CG   C N N 45  
ARG CD   C N N 46  
ARG NE   N N N 47  
ARG CZ   C N N 48  
ARG NH1  N N N 49  
ARG NH2  N N N 50  
ARG OXT  O N N 51  
ARG H    H N N 52  
ARG H2   H N N 53  
ARG HA   H N N 54  
ARG HB2  H N N 55  
ARG HB3  H N N 56  
ARG HG2  H N N 57  
ARG HG3  H N N 58  
ARG HD2  H N N 59  
ARG HD3  H N N 60  
ARG HE   H N N 61  
ARG HH11 H N N 62  
ARG HH12 H N N 63  
ARG HH21 H N N 64  
ARG HH22 H N N 65  
ARG HXT  H N N 66  
ASN N    N N N 67  
ASN CA   C N S 68  
ASN C    C N N 69  
ASN O    O N N 70  
ASN CB   C N N 71  
ASN CG   C N N 72  
ASN OD1  O N N 73  
ASN ND2  N N N 74  
ASN OXT  O N N 75  
ASN H    H N N 76  
ASN H2   H N N 77  
ASN HA   H N N 78  
ASN HB2  H N N 79  
ASN HB3  H N N 80  
ASN HD21 H N N 81  
ASN HD22 H N N 82  
ASN HXT  H N N 83  
ASP N    N N N 84  
ASP CA   C N S 85  
ASP C    C N N 86  
ASP O    O N N 87  
ASP CB   C N N 88  
ASP CG   C N N 89  
ASP OD1  O N N 90  
ASP OD2  O N N 91  
ASP OXT  O N N 92  
ASP H    H N N 93  
ASP H2   H N N 94  
ASP HA   H N N 95  
ASP HB2  H N N 96  
ASP HB3  H N N 97  
ASP HD2  H N N 98  
ASP HXT  H N N 99  
GLN N    N N N 100 
GLN CA   C N S 101 
GLN C    C N N 102 
GLN O    O N N 103 
GLN CB   C N N 104 
GLN CG   C N N 105 
GLN CD   C N N 106 
GLN OE1  O N N 107 
GLN NE2  N N N 108 
GLN OXT  O N N 109 
GLN H    H N N 110 
GLN H2   H N N 111 
GLN HA   H N N 112 
GLN HB2  H N N 113 
GLN HB3  H N N 114 
GLN HG2  H N N 115 
GLN HG3  H N N 116 
GLN HE21 H N N 117 
GLN HE22 H N N 118 
GLN HXT  H N N 119 
GLU N    N N N 120 
GLU CA   C N S 121 
GLU C    C N N 122 
GLU O    O N N 123 
GLU CB   C N N 124 
GLU CG   C N N 125 
GLU CD   C N N 126 
GLU OE1  O N N 127 
GLU OE2  O N N 128 
GLU OXT  O N N 129 
GLU H    H N N 130 
GLU H2   H N N 131 
GLU HA   H N N 132 
GLU HB2  H N N 133 
GLU HB3  H N N 134 
GLU HG2  H N N 135 
GLU HG3  H N N 136 
GLU HE2  H N N 137 
GLU HXT  H N N 138 
GLY N    N N N 139 
GLY CA   C N N 140 
GLY C    C N N 141 
GLY O    O N N 142 
GLY OXT  O N N 143 
GLY H    H N N 144 
GLY H2   H N N 145 
GLY HA2  H N N 146 
GLY HA3  H N N 147 
GLY HXT  H N N 148 
HIS N    N N N 149 
HIS CA   C N S 150 
HIS C    C N N 151 
HIS O    O N N 152 
HIS CB   C N N 153 
HIS CG   C Y N 154 
HIS ND1  N Y N 155 
HIS CD2  C Y N 156 
HIS CE1  C Y N 157 
HIS NE2  N Y N 158 
HIS OXT  O N N 159 
HIS H    H N N 160 
HIS H2   H N N 161 
HIS HA   H N N 162 
HIS HB2  H N N 163 
HIS HB3  H N N 164 
HIS HD1  H N N 165 
HIS HD2  H N N 166 
HIS HE1  H N N 167 
HIS HE2  H N N 168 
HIS HXT  H N N 169 
HOH O    O N N 170 
HOH H1   H N N 171 
HOH H2   H N N 172 
ILE N    N N N 173 
ILE CA   C N S 174 
ILE C    C N N 175 
ILE O    O N N 176 
ILE CB   C N S 177 
ILE CG1  C N N 178 
ILE CG2  C N N 179 
ILE CD1  C N N 180 
ILE OXT  O N N 181 
ILE H    H N N 182 
ILE H2   H N N 183 
ILE HA   H N N 184 
ILE HB   H N N 185 
ILE HG12 H N N 186 
ILE HG13 H N N 187 
ILE HG21 H N N 188 
ILE HG22 H N N 189 
ILE HG23 H N N 190 
ILE HD11 H N N 191 
ILE HD12 H N N 192 
ILE HD13 H N N 193 
ILE HXT  H N N 194 
LEU N    N N N 195 
LEU CA   C N S 196 
LEU C    C N N 197 
LEU O    O N N 198 
LEU CB   C N N 199 
LEU CG   C N N 200 
LEU CD1  C N N 201 
LEU CD2  C N N 202 
LEU OXT  O N N 203 
LEU H    H N N 204 
LEU H2   H N N 205 
LEU HA   H N N 206 
LEU HB2  H N N 207 
LEU HB3  H N N 208 
LEU HG   H N N 209 
LEU HD11 H N N 210 
LEU HD12 H N N 211 
LEU HD13 H N N 212 
LEU HD21 H N N 213 
LEU HD22 H N N 214 
LEU HD23 H N N 215 
LEU HXT  H N N 216 
LYS N    N N N 217 
LYS CA   C N S 218 
LYS C    C N N 219 
LYS O    O N N 220 
LYS CB   C N N 221 
LYS CG   C N N 222 
LYS CD   C N N 223 
LYS CE   C N N 224 
LYS NZ   N N N 225 
LYS OXT  O N N 226 
LYS H    H N N 227 
LYS H2   H N N 228 
LYS HA   H N N 229 
LYS HB2  H N N 230 
LYS HB3  H N N 231 
LYS HG2  H N N 232 
LYS HG3  H N N 233 
LYS HD2  H N N 234 
LYS HD3  H N N 235 
LYS HE2  H N N 236 
LYS HE3  H N N 237 
LYS HZ1  H N N 238 
LYS HZ2  H N N 239 
LYS HZ3  H N N 240 
LYS HXT  H N N 241 
MET N    N N N 242 
MET CA   C N S 243 
MET C    C N N 244 
MET O    O N N 245 
MET CB   C N N 246 
MET CG   C N N 247 
MET SD   S N N 248 
MET CE   C N N 249 
MET OXT  O N N 250 
MET H    H N N 251 
MET H2   H N N 252 
MET HA   H N N 253 
MET HB2  H N N 254 
MET HB3  H N N 255 
MET HG2  H N N 256 
MET HG3  H N N 257 
MET HE1  H N N 258 
MET HE2  H N N 259 
MET HE3  H N N 260 
MET HXT  H N N 261 
PHE N    N N N 262 
PHE CA   C N S 263 
PHE C    C N N 264 
PHE O    O N N 265 
PHE CB   C N N 266 
PHE CG   C Y N 267 
PHE CD1  C Y N 268 
PHE CD2  C Y N 269 
PHE CE1  C Y N 270 
PHE CE2  C Y N 271 
PHE CZ   C Y N 272 
PHE OXT  O N N 273 
PHE H    H N N 274 
PHE H2   H N N 275 
PHE HA   H N N 276 
PHE HB2  H N N 277 
PHE HB3  H N N 278 
PHE HD1  H N N 279 
PHE HD2  H N N 280 
PHE HE1  H N N 281 
PHE HE2  H N N 282 
PHE HZ   H N N 283 
PHE HXT  H N N 284 
PRO N    N N N 285 
PRO CA   C N S 286 
PRO C    C N N 287 
PRO O    O N N 288 
PRO CB   C N N 289 
PRO CG   C N N 290 
PRO CD   C N N 291 
PRO OXT  O N N 292 
PRO H    H N N 293 
PRO HA   H N N 294 
PRO HB2  H N N 295 
PRO HB3  H N N 296 
PRO HG2  H N N 297 
PRO HG3  H N N 298 
PRO HD2  H N N 299 
PRO HD3  H N N 300 
PRO HXT  H N N 301 
SER N    N N N 302 
SER CA   C N S 303 
SER C    C N N 304 
SER O    O N N 305 
SER CB   C N N 306 
SER OG   O N N 307 
SER OXT  O N N 308 
SER H    H N N 309 
SER H2   H N N 310 
SER HA   H N N 311 
SER HB2  H N N 312 
SER HB3  H N N 313 
SER HG   H N N 314 
SER HXT  H N N 315 
THR N    N N N 316 
THR CA   C N S 317 
THR C    C N N 318 
THR O    O N N 319 
THR CB   C N R 320 
THR OG1  O N N 321 
THR CG2  C N N 322 
THR OXT  O N N 323 
THR H    H N N 324 
THR H2   H N N 325 
THR HA   H N N 326 
THR HB   H N N 327 
THR HG1  H N N 328 
THR HG21 H N N 329 
THR HG22 H N N 330 
THR HG23 H N N 331 
THR HXT  H N N 332 
TRP N    N N N 333 
TRP CA   C N S 334 
TRP C    C N N 335 
TRP O    O N N 336 
TRP CB   C N N 337 
TRP CG   C Y N 338 
TRP CD1  C Y N 339 
TRP CD2  C Y N 340 
TRP NE1  N Y N 341 
TRP CE2  C Y N 342 
TRP CE3  C Y N 343 
TRP CZ2  C Y N 344 
TRP CZ3  C Y N 345 
TRP CH2  C Y N 346 
TRP OXT  O N N 347 
TRP H    H N N 348 
TRP H2   H N N 349 
TRP HA   H N N 350 
TRP HB2  H N N 351 
TRP HB3  H N N 352 
TRP HD1  H N N 353 
TRP HE1  H N N 354 
TRP HE3  H N N 355 
TRP HZ2  H N N 356 
TRP HZ3  H N N 357 
TRP HH2  H N N 358 
TRP HXT  H N N 359 
TYR N    N N N 360 
TYR CA   C N S 361 
TYR C    C N N 362 
TYR O    O N N 363 
TYR CB   C N N 364 
TYR CG   C Y N 365 
TYR CD1  C Y N 366 
TYR CD2  C Y N 367 
TYR CE1  C Y N 368 
TYR CE2  C Y N 369 
TYR CZ   C Y N 370 
TYR OH   O N N 371 
TYR OXT  O N N 372 
TYR H    H N N 373 
TYR H2   H N N 374 
TYR HA   H N N 375 
TYR HB2  H N N 376 
TYR HB3  H N N 377 
TYR HD1  H N N 378 
TYR HD2  H N N 379 
TYR HE1  H N N 380 
TYR HE2  H N N 381 
TYR HH   H N N 382 
TYR HXT  H N N 383 
VAL N    N N N 384 
VAL CA   C N S 385 
VAL C    C N N 386 
VAL O    O N N 387 
VAL CB   C N N 388 
VAL CG1  C N N 389 
VAL CG2  C N N 390 
VAL OXT  O N N 391 
VAL H    H N N 392 
VAL H2   H N N 393 
VAL HA   H N N 394 
VAL HB   H N N 395 
VAL HG11 H N N 396 
VAL HG12 H N N 397 
VAL HG13 H N N 398 
VAL HG21 H N N 399 
VAL HG22 H N N 400 
VAL HG23 H N N 401 
VAL HXT  H N N 402 
# 
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 
A7Q C   O    sing N N 1   
A7Q C   C1   sing N N 2   
A7Q C1  C11  doub Y N 3   
A7Q C1  C2   sing Y N 4   
A7Q C11 N    sing Y N 5   
A7Q C2  C3   doub Y N 6   
A7Q N   C4   doub Y N 7   
A7Q C3  C4   sing Y N 8   
A7Q C4  O1   sing N N 9   
A7Q O1  C5   sing N N 10  
A7Q C10 C5   doub Y N 11  
A7Q C10 C9   sing Y N 12  
A7Q C5  C6   sing Y N 13  
A7Q C9  C8   doub Y N 14  
A7Q C6  C7   doub Y N 15  
A7Q C8  C7   sing Y N 16  
A7Q C11 H1   sing N N 17  
A7Q C10 H2   sing N N 18  
A7Q C9  H3   sing N N 19  
A7Q C8  H4   sing N N 20  
A7Q C7  H5   sing N N 21  
A7Q C6  H6   sing N N 22  
A7Q C3  H7   sing N N 23  
A7Q C2  H8   sing N N 24  
A7Q O   H9   sing N N 25  
A7Q C   H10  sing N N 26  
A7Q C   H11  sing N N 27  
ALA N   CA   sing N N 28  
ALA N   H    sing N N 29  
ALA N   H2   sing N N 30  
ALA CA  C    sing N N 31  
ALA CA  CB   sing N N 32  
ALA CA  HA   sing N N 33  
ALA C   O    doub N N 34  
ALA C   OXT  sing N N 35  
ALA CB  HB1  sing N N 36  
ALA CB  HB2  sing N N 37  
ALA CB  HB3  sing N N 38  
ALA OXT HXT  sing N N 39  
ARG N   CA   sing N N 40  
ARG N   H    sing N N 41  
ARG N   H2   sing N N 42  
ARG CA  C    sing N N 43  
ARG CA  CB   sing N N 44  
ARG CA  HA   sing N N 45  
ARG C   O    doub N N 46  
ARG C   OXT  sing N N 47  
ARG CB  CG   sing N N 48  
ARG CB  HB2  sing N N 49  
ARG CB  HB3  sing N N 50  
ARG CG  CD   sing N N 51  
ARG CG  HG2  sing N N 52  
ARG CG  HG3  sing N N 53  
ARG CD  NE   sing N N 54  
ARG CD  HD2  sing N N 55  
ARG CD  HD3  sing N N 56  
ARG NE  CZ   sing N N 57  
ARG NE  HE   sing N N 58  
ARG CZ  NH1  sing N N 59  
ARG CZ  NH2  doub N N 60  
ARG NH1 HH11 sing N N 61  
ARG NH1 HH12 sing N N 62  
ARG NH2 HH21 sing N N 63  
ARG NH2 HH22 sing N N 64  
ARG OXT HXT  sing N N 65  
ASN N   CA   sing N N 66  
ASN N   H    sing N N 67  
ASN N   H2   sing N N 68  
ASN CA  C    sing N N 69  
ASN CA  CB   sing N N 70  
ASN CA  HA   sing N N 71  
ASN C   O    doub N N 72  
ASN C   OXT  sing N N 73  
ASN CB  CG   sing N N 74  
ASN CB  HB2  sing N N 75  
ASN CB  HB3  sing N N 76  
ASN CG  OD1  doub N N 77  
ASN CG  ND2  sing N N 78  
ASN ND2 HD21 sing N N 79  
ASN ND2 HD22 sing N N 80  
ASN OXT HXT  sing N N 81  
ASP N   CA   sing N N 82  
ASP N   H    sing N N 83  
ASP N   H2   sing N N 84  
ASP CA  C    sing N N 85  
ASP CA  CB   sing N N 86  
ASP CA  HA   sing N N 87  
ASP C   O    doub N N 88  
ASP C   OXT  sing N N 89  
ASP CB  CG   sing N N 90  
ASP CB  HB2  sing N N 91  
ASP CB  HB3  sing N N 92  
ASP CG  OD1  doub N N 93  
ASP CG  OD2  sing N N 94  
ASP OD2 HD2  sing N N 95  
ASP OXT HXT  sing N N 96  
GLN N   CA   sing N N 97  
GLN N   H    sing N N 98  
GLN N   H2   sing N N 99  
GLN CA  C    sing N N 100 
GLN CA  CB   sing N N 101 
GLN CA  HA   sing N N 102 
GLN C   O    doub N N 103 
GLN C   OXT  sing N N 104 
GLN CB  CG   sing N N 105 
GLN CB  HB2  sing N N 106 
GLN CB  HB3  sing N N 107 
GLN CG  CD   sing N N 108 
GLN CG  HG2  sing N N 109 
GLN CG  HG3  sing N N 110 
GLN CD  OE1  doub N N 111 
GLN CD  NE2  sing N N 112 
GLN NE2 HE21 sing N N 113 
GLN NE2 HE22 sing N N 114 
GLN OXT HXT  sing N N 115 
GLU N   CA   sing N N 116 
GLU N   H    sing N N 117 
GLU N   H2   sing N N 118 
GLU CA  C    sing N N 119 
GLU CA  CB   sing N N 120 
GLU CA  HA   sing N N 121 
GLU C   O    doub N N 122 
GLU C   OXT  sing N N 123 
GLU CB  CG   sing N N 124 
GLU CB  HB2  sing N N 125 
GLU CB  HB3  sing N N 126 
GLU CG  CD   sing N N 127 
GLU CG  HG2  sing N N 128 
GLU CG  HG3  sing N N 129 
GLU CD  OE1  doub N N 130 
GLU CD  OE2  sing N N 131 
GLU OE2 HE2  sing N N 132 
GLU OXT HXT  sing N N 133 
GLY N   CA   sing N N 134 
GLY N   H    sing N N 135 
GLY N   H2   sing N N 136 
GLY CA  C    sing N N 137 
GLY CA  HA2  sing N N 138 
GLY CA  HA3  sing N N 139 
GLY C   O    doub N N 140 
GLY C   OXT  sing N N 141 
GLY OXT HXT  sing N N 142 
HIS N   CA   sing N N 143 
HIS N   H    sing N N 144 
HIS N   H2   sing N N 145 
HIS CA  C    sing N N 146 
HIS CA  CB   sing N N 147 
HIS CA  HA   sing N N 148 
HIS C   O    doub N N 149 
HIS C   OXT  sing N N 150 
HIS CB  CG   sing N N 151 
HIS CB  HB2  sing N N 152 
HIS CB  HB3  sing N N 153 
HIS CG  ND1  sing Y N 154 
HIS CG  CD2  doub Y N 155 
HIS ND1 CE1  doub Y N 156 
HIS ND1 HD1  sing N N 157 
HIS CD2 NE2  sing Y N 158 
HIS CD2 HD2  sing N N 159 
HIS CE1 NE2  sing Y N 160 
HIS CE1 HE1  sing N N 161 
HIS NE2 HE2  sing N N 162 
HIS OXT HXT  sing N N 163 
HOH O   H1   sing N N 164 
HOH O   H2   sing N N 165 
ILE N   CA   sing N N 166 
ILE N   H    sing N N 167 
ILE N   H2   sing N N 168 
ILE CA  C    sing N N 169 
ILE CA  CB   sing N N 170 
ILE CA  HA   sing N N 171 
ILE C   O    doub N N 172 
ILE C   OXT  sing N N 173 
ILE CB  CG1  sing N N 174 
ILE CB  CG2  sing N N 175 
ILE CB  HB   sing N N 176 
ILE CG1 CD1  sing N N 177 
ILE CG1 HG12 sing N N 178 
ILE CG1 HG13 sing N N 179 
ILE CG2 HG21 sing N N 180 
ILE CG2 HG22 sing N N 181 
ILE CG2 HG23 sing N N 182 
ILE CD1 HD11 sing N N 183 
ILE CD1 HD12 sing N N 184 
ILE CD1 HD13 sing N N 185 
ILE OXT HXT  sing N N 186 
LEU N   CA   sing N N 187 
LEU N   H    sing N N 188 
LEU N   H2   sing N N 189 
LEU CA  C    sing N N 190 
LEU CA  CB   sing N N 191 
LEU CA  HA   sing N N 192 
LEU C   O    doub N N 193 
LEU C   OXT  sing N N 194 
LEU CB  CG   sing N N 195 
LEU CB  HB2  sing N N 196 
LEU CB  HB3  sing N N 197 
LEU CG  CD1  sing N N 198 
LEU CG  CD2  sing N N 199 
LEU CG  HG   sing N N 200 
LEU CD1 HD11 sing N N 201 
LEU CD1 HD12 sing N N 202 
LEU CD1 HD13 sing N N 203 
LEU CD2 HD21 sing N N 204 
LEU CD2 HD22 sing N N 205 
LEU CD2 HD23 sing N N 206 
LEU OXT HXT  sing N N 207 
LYS N   CA   sing N N 208 
LYS N   H    sing N N 209 
LYS N   H2   sing N N 210 
LYS CA  C    sing N N 211 
LYS CA  CB   sing N N 212 
LYS CA  HA   sing N N 213 
LYS C   O    doub N N 214 
LYS C   OXT  sing N N 215 
LYS CB  CG   sing N N 216 
LYS CB  HB2  sing N N 217 
LYS CB  HB3  sing N N 218 
LYS CG  CD   sing N N 219 
LYS CG  HG2  sing N N 220 
LYS CG  HG3  sing N N 221 
LYS CD  CE   sing N N 222 
LYS CD  HD2  sing N N 223 
LYS CD  HD3  sing N N 224 
LYS CE  NZ   sing N N 225 
LYS CE  HE2  sing N N 226 
LYS CE  HE3  sing N N 227 
LYS NZ  HZ1  sing N N 228 
LYS NZ  HZ2  sing N N 229 
LYS NZ  HZ3  sing N N 230 
LYS OXT HXT  sing N N 231 
MET N   CA   sing N N 232 
MET N   H    sing N N 233 
MET N   H2   sing N N 234 
MET CA  C    sing N N 235 
MET CA  CB   sing N N 236 
MET CA  HA   sing N N 237 
MET C   O    doub N N 238 
MET C   OXT  sing N N 239 
MET CB  CG   sing N N 240 
MET CB  HB2  sing N N 241 
MET CB  HB3  sing N N 242 
MET CG  SD   sing N N 243 
MET CG  HG2  sing N N 244 
MET CG  HG3  sing N N 245 
MET SD  CE   sing N N 246 
MET CE  HE1  sing N N 247 
MET CE  HE2  sing N N 248 
MET CE  HE3  sing N N 249 
MET OXT HXT  sing N N 250 
PHE N   CA   sing N N 251 
PHE N   H    sing N N 252 
PHE N   H2   sing N N 253 
PHE CA  C    sing N N 254 
PHE CA  CB   sing N N 255 
PHE CA  HA   sing N N 256 
PHE C   O    doub N N 257 
PHE C   OXT  sing N N 258 
PHE CB  CG   sing N N 259 
PHE CB  HB2  sing N N 260 
PHE CB  HB3  sing N N 261 
PHE CG  CD1  doub Y N 262 
PHE CG  CD2  sing Y N 263 
PHE CD1 CE1  sing Y N 264 
PHE CD1 HD1  sing N N 265 
PHE CD2 CE2  doub Y N 266 
PHE CD2 HD2  sing N N 267 
PHE CE1 CZ   doub Y N 268 
PHE CE1 HE1  sing N N 269 
PHE CE2 CZ   sing Y N 270 
PHE CE2 HE2  sing N N 271 
PHE CZ  HZ   sing N N 272 
PHE OXT HXT  sing N N 273 
PRO N   CA   sing N N 274 
PRO N   CD   sing N N 275 
PRO N   H    sing N N 276 
PRO CA  C    sing N N 277 
PRO CA  CB   sing N N 278 
PRO CA  HA   sing N N 279 
PRO C   O    doub N N 280 
PRO C   OXT  sing N N 281 
PRO CB  CG   sing N N 282 
PRO CB  HB2  sing N N 283 
PRO CB  HB3  sing N N 284 
PRO CG  CD   sing N N 285 
PRO CG  HG2  sing N N 286 
PRO CG  HG3  sing N N 287 
PRO CD  HD2  sing N N 288 
PRO CD  HD3  sing N N 289 
PRO OXT HXT  sing N N 290 
SER N   CA   sing N N 291 
SER N   H    sing N N 292 
SER N   H2   sing N N 293 
SER CA  C    sing N N 294 
SER CA  CB   sing N N 295 
SER CA  HA   sing N N 296 
SER C   O    doub N N 297 
SER C   OXT  sing N N 298 
SER CB  OG   sing N N 299 
SER CB  HB2  sing N N 300 
SER CB  HB3  sing N N 301 
SER OG  HG   sing N N 302 
SER OXT HXT  sing N N 303 
THR N   CA   sing N N 304 
THR N   H    sing N N 305 
THR N   H2   sing N N 306 
THR CA  C    sing N N 307 
THR CA  CB   sing N N 308 
THR CA  HA   sing N N 309 
THR C   O    doub N N 310 
THR C   OXT  sing N N 311 
THR CB  OG1  sing N N 312 
THR CB  CG2  sing N N 313 
THR CB  HB   sing N N 314 
THR OG1 HG1  sing N N 315 
THR CG2 HG21 sing N N 316 
THR CG2 HG22 sing N N 317 
THR CG2 HG23 sing N N 318 
THR OXT HXT  sing N N 319 
TRP N   CA   sing N N 320 
TRP N   H    sing N N 321 
TRP N   H2   sing N N 322 
TRP CA  C    sing N N 323 
TRP CA  CB   sing N N 324 
TRP CA  HA   sing N N 325 
TRP C   O    doub N N 326 
TRP C   OXT  sing N N 327 
TRP CB  CG   sing N N 328 
TRP CB  HB2  sing N N 329 
TRP CB  HB3  sing N N 330 
TRP CG  CD1  doub Y N 331 
TRP CG  CD2  sing Y N 332 
TRP CD1 NE1  sing Y N 333 
TRP CD1 HD1  sing N N 334 
TRP CD2 CE2  doub Y N 335 
TRP CD2 CE3  sing Y N 336 
TRP NE1 CE2  sing Y N 337 
TRP NE1 HE1  sing N N 338 
TRP CE2 CZ2  sing Y N 339 
TRP CE3 CZ3  doub Y N 340 
TRP CE3 HE3  sing N N 341 
TRP CZ2 CH2  doub Y N 342 
TRP CZ2 HZ2  sing N N 343 
TRP CZ3 CH2  sing Y N 344 
TRP CZ3 HZ3  sing N N 345 
TRP CH2 HH2  sing N N 346 
TRP OXT HXT  sing N N 347 
TYR N   CA   sing N N 348 
TYR N   H    sing N N 349 
TYR N   H2   sing N N 350 
TYR CA  C    sing N N 351 
TYR CA  CB   sing N N 352 
TYR CA  HA   sing N N 353 
TYR C   O    doub N N 354 
TYR C   OXT  sing N N 355 
TYR CB  CG   sing N N 356 
TYR CB  HB2  sing N N 357 
TYR CB  HB3  sing N N 358 
TYR CG  CD1  doub Y N 359 
TYR CG  CD2  sing Y N 360 
TYR CD1 CE1  sing Y N 361 
TYR CD1 HD1  sing N N 362 
TYR CD2 CE2  doub Y N 363 
TYR CD2 HD2  sing N N 364 
TYR CE1 CZ   doub Y N 365 
TYR CE1 HE1  sing N N 366 
TYR CE2 CZ   sing Y N 367 
TYR CE2 HE2  sing N N 368 
TYR CZ  OH   sing N N 369 
TYR OH  HH   sing N N 370 
TYR OXT HXT  sing N N 371 
VAL N   CA   sing N N 372 
VAL N   H    sing N N 373 
VAL N   H2   sing N N 374 
VAL CA  C    sing N N 375 
VAL CA  CB   sing N N 376 
VAL CA  HA   sing N N 377 
VAL C   O    doub N N 378 
VAL C   OXT  sing N N 379 
VAL CB  CG1  sing N N 380 
VAL CB  CG2  sing N N 381 
VAL CB  HB   sing N N 382 
VAL CG1 HG11 sing N N 383 
VAL CG1 HG12 sing N N 384 
VAL CG1 HG13 sing N N 385 
VAL CG2 HG21 sing N N 386 
VAL CG2 HG22 sing N N 387 
VAL CG2 HG23 sing N N 388 
VAL OXT HXT  sing N N 389 
# 
_pdbx_audit_support.funding_organization   'National Natural Science Foundation of China (NSFC)' 
_pdbx_audit_support.country                China 
_pdbx_audit_support.grant_number           2021YFC2301405 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_deposit_group.group_title         'Crystallographic fragment screening of Human heat shock protein 90' 
_pdbx_deposit_group.group_description   
;Heat shock protein 90 (HSP90) is one of the most active molecular chaperones in cells. It plays a vital role in the cell maturation process and serves as a molecular chaperone involved in many oncogenic proteins folding, assembly and stabilization. Many HSP90 client proteins are kinases or transcription factors involved in signal transduction pathways and are key regulatory factors in tumor growth and maintenance. Therefore, HSP90 inhibitors can be used as drugs for cancer treatment.
;
_pdbx_deposit_group.group_type          'changed state' 
_pdbx_deposit_group.group_id            G_1002298 
# 
_space_group.name_H-M_alt     'I 2 2 2' 
_space_group.name_Hall        'I 2 2' 
_space_group.IT_number        23 
_space_group.crystal_system   orthorhombic 
_space_group.id               1 
# 
_atom_sites.entry_id                    7HB1 
_atom_sites.fract_transf_matrix[1][1]   0.015093 
_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]   0.011142 
_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]   0.009989 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
# 
loop_
_atom_type.symbol 
_atom_type.scat_dispersion_real 
_atom_type.scat_dispersion_imag 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
_atom_type.scat_source 
_atom_type.scat_dispersion_source 
C ? ? 3.54356 2.42580 ? ? 25.62398 1.50364  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
N ? ? 4.01032 2.96436 ? ? 19.97189 1.75589  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
O ? ? 4.49882 3.47563 ? ? 15.80542 1.70748  ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
S ? ? 9.55732 6.39887 ? ? 1.23737  29.19336 ? ? 0.0 
;2-Gaussian fit: Grosse-Kunstleve RW, Sauter NK, Adams PD: Newsletter of the IUCr Commission on Crystallographic Computing 2004, 3, 22-31.
;
? 
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
ATOM   1    N N   . GLU A 1 9   ? 4.50217   -28.39486 -39.10501 1.000 56.85890  ? 16  GLU A N   1 
ATOM   2    C CA  . GLU A 1 9   ? 5.72404   -27.61009 -39.26603 1.000 64.80151  ? 16  GLU A CA  1 
ATOM   3    C C   . GLU A 1 9   ? 5.96559   -26.74128 -38.02533 1.000 47.98963  ? 16  GLU A C   1 
ATOM   4    O O   . GLU A 1 9   ? 5.22149   -25.79575 -37.75675 1.000 53.15453  ? 16  GLU A O   1 
ATOM   5    C CB  . GLU A 1 9   ? 5.64229   -26.75922 -40.54472 1.000 68.84219  ? 16  GLU A CB  1 
ATOM   6    C CG  . GLU A 1 9   ? 6.43929   -25.44140 -40.56214 1.000 72.40782  ? 16  GLU A CG  1 
ATOM   7    C CD  . GLU A 1 9   ? 7.95829   -25.60462 -40.52751 1.000 79.91151  ? 16  GLU A CD  1 
ATOM   8    O OE1 . GLU A 1 9   ? 8.47406   -26.55292 -39.89806 1.000 82.50462  ? 16  GLU A OE1 1 
ATOM   9    O OE2 . GLU A 1 9   ? 8.64710   -24.76064 -41.14179 1.000 79.13456  ? 16  GLU A OE2 1 
ATOM   10   N N   . VAL A 1 10  ? 7.00022   -27.08185 -37.25955 1.000 40.49443  ? 17  VAL A N   1 
ATOM   11   C CA  . VAL A 1 10  ? 7.26771   -26.46773 -35.96369 1.000 32.44320  ? 17  VAL A CA  1 
ATOM   12   C C   . VAL A 1 10  ? 8.63010   -25.80256 -36.01086 1.000 34.77365  ? 17  VAL A C   1 
ATOM   13   O O   . VAL A 1 10  ? 9.62281   -26.45046 -36.35238 1.000 35.54897  ? 17  VAL A O   1 
ATOM   14   C CB  . VAL A 1 10  ? 7.24119   -27.49971 -34.82516 1.000 36.44019  ? 17  VAL A CB  1 
ATOM   15   C CG1 . VAL A 1 10  ? 7.40699   -26.79694 -33.48875 1.000 38.71164  ? 17  VAL A CG1 1 
ATOM   16   C CG2 . VAL A 1 10  ? 5.97581   -28.35133 -34.89612 1.000 45.62727  ? 17  VAL A CG2 1 
ATOM   17   N N   . GLU A 1 11  ? 8.68413   -24.53107 -35.63574 1.000 26.22042  ? 18  GLU A N   1 
ATOM   18   C CA  . GLU A 1 11  ? 9.92788   -23.78276 -35.56706 1.000 24.66061  ? 18  GLU A CA  1 
ATOM   19   C C   . GLU A 1 11  ? 10.34262  -23.65035 -34.10647 1.000 21.61913  ? 18  GLU A C   1 
ATOM   20   O O   . GLU A 1 11  ? 9.52594   -23.28756 -33.25174 1.000 21.34192  ? 18  GLU A O   1 
ATOM   21   C CB  . GLU A 1 11  ? 9.76259   -22.40360 -36.20097 1.000 27.14499  ? 18  GLU A CB  1 
ATOM   22   C CG  . GLU A 1 11  ? 9.59970   -22.44784 -37.71312 1.000 26.29596  ? 18  GLU A CG  1 
ATOM   23   C CD  . GLU A 1 11  ? 9.35818   -21.07259 -38.29742 1.000 37.56654  ? 18  GLU A CD  1 
ATOM   24   O OE1 . GLU A 1 11  ? 8.26336   -20.51545 -38.07048 1.000 41.79114  ? 18  GLU A OE1 1 
ATOM   25   O OE2 . GLU A 1 11  ? 10.23454  -20.56495 -39.02349 1.000 42.72741  ? 18  GLU A OE2 1 
ATOM   26   N N   . THR A 1 12  ? 11.61081  -23.95372 -33.81493 1.000 20.76979  ? 19  THR A N   1 
ATOM   27   C CA  . THR A 1 12  ? 12.14725  -23.84777 -32.46517 1.000 19.16117  ? 19  THR A CA  1 
ATOM   28   C C   . THR A 1 12  ? 13.15190  -22.70861 -32.39817 1.000 21.40400  ? 19  THR A C   1 
ATOM   29   O O   . THR A 1 12  ? 14.06487  -22.63635 -33.22535 1.000 17.76357  ? 19  THR A O   1 
ATOM   30   C CB  . THR A 1 12  ? 12.83892  -25.14675 -32.03257 1.000 19.61480  ? 19  THR A CB  1 
ATOM   31   O OG1 . THR A 1 12  ? 11.93389  -26.24105 -32.18871 1.000 21.78951  ? 19  THR A OG1 1 
ATOM   32   C CG2 . THR A 1 12  ? 13.31753  -25.04721 -30.57650 1.000 19.52008  ? 19  THR A CG2 1 
ATOM   33   N N   . PHE A 1 13  ? 12.99629  -21.85366 -31.39280 1.000 17.90972  ? 20  PHE A N   1 
ATOM   34   C CA  . PHE A 1 13  ? 13.79176  -20.65191 -31.19751 1.000 17.35444  ? 20  PHE A CA  1 
ATOM   35   C C   . PHE A 1 13  ? 14.45589  -20.67711 -29.83425 1.000 20.68511  ? 20  PHE A C   1 
ATOM   36   O O   . PHE A 1 13  ? 13.89578  -21.18799 -28.86611 1.000 19.55857  ? 20  PHE A O   1 
ATOM   37   C CB  . PHE A 1 13  ? 12.92069  -19.39087 -31.25010 1.000 18.18057  ? 20  PHE A CB  1 
ATOM   38   C CG  . PHE A 1 13  ? 12.18522  -19.20445 -32.54004 1.000 19.08141  ? 20  PHE A CG  1 
ATOM   39   C CD1 . PHE A 1 13  ? 10.96918  -19.82665 -32.74930 1.000 19.92132  ? 20  PHE A CD1 1 
ATOM   40   C CD2 . PHE A 1 13  ? 12.72617  -18.41980 -33.55180 1.000 21.72182  ? 20  PHE A CD2 1 
ATOM   41   C CE1 . PHE A 1 13  ? 10.28280  -19.64570 -33.94805 1.000 21.88608  ? 20  PHE A CE1 1 
ATOM   42   C CE2 . PHE A 1 13  ? 12.02374  -18.22448 -34.75147 1.000 25.24905  ? 20  PHE A CE2 1 
ATOM   43   C CZ  . PHE A 1 13  ? 10.82223  -18.85410 -34.94318 1.000 24.89605  ? 20  PHE A CZ  1 
ATOM   44   N N   . ALA A 1 14  ? 15.62896  -20.05941 -29.74269 1.000 17.85666  ? 21  ALA A N   1 
ATOM   45   C CA  . ALA A 1 14  ? 16.23410  -19.80251 -28.44534 1.000 17.32727  ? 21  ALA A CA  1 
ATOM   46   C C   . ALA A 1 14  ? 15.71614  -18.49332 -27.88308 1.000 16.84845  ? 21  ALA A C   1 
ATOM   47   O O   . ALA A 1 14  ? 15.59672  -17.50266 -28.60619 1.000 18.74919  ? 21  ALA A O   1 
ATOM   48   C CB  . ALA A 1 14  ? 17.75474  -19.72878 -28.55088 1.000 17.88208  ? 21  ALA A CB  1 
ATOM   49   N N   . PHE A 1 15  ? 15.40178  -18.49021 -26.57934 1.000 17.49795  ? 22  PHE A N   1 
ATOM   50   C CA  . PHE A 1 15  ? 15.18876  -17.21328 -25.91640 1.000 17.58857  ? 22  PHE A CA  1 
ATOM   51   C C   . PHE A 1 15  ? 16.46377  -16.39191 -25.96741 1.000 16.69576  ? 22  PHE A C   1 
ATOM   52   O O   . PHE A 1 15  ? 17.57696  -16.92550 -25.88504 1.000 20.23855  ? 22  PHE A O   1 
ATOM   53   C CB  . PHE A 1 15  ? 14.79642  -17.39607 -24.44612 1.000 17.68350  ? 22  PHE A CB  1 
ATOM   54   C CG  . PHE A 1 15  ? 13.40505  -17.92541 -24.24558 1.000 16.43668  ? 22  PHE A CG  1 
ATOM   55   C CD1 . PHE A 1 15  ? 12.30434  -17.14572 -24.55203 1.000 17.21341  ? 22  PHE A CD1 1 
ATOM   56   C CD2 . PHE A 1 15  ? 13.20685  -19.21164 -23.76049 1.000 16.53608  ? 22  PHE A CD2 1 
ATOM   57   C CE1 . PHE A 1 15  ? 10.98962  -17.63387 -24.36222 1.000 17.60705  ? 22  PHE A CE1 1 
ATOM   58   C CE2 . PHE A 1 15  ? 11.90639  -19.70426 -23.57536 1.000 16.40508  ? 22  PHE A CE2 1 
ATOM   59   C CZ  . PHE A 1 15  ? 10.81280  -18.91592 -23.86162 1.000 17.05677  ? 22  PHE A CZ  1 
ATOM   60   N N   . GLN A 1 16  ? 16.28824  -15.07814 -26.08193 1.000 18.26395  ? 23  GLN A N   1 
ATOM   61   C CA  . GLN A 1 16  ? 17.42001  -14.19910 -25.81686 1.000 19.48317  ? 23  GLN A CA  1 
ATOM   62   C C   . GLN A 1 16  ? 17.92528  -14.47304 -24.40995 1.000 21.24171  ? 23  GLN A C   1 
ATOM   63   O O   . GLN A 1 16  ? 17.15116  -14.82679 -23.52170 1.000 19.87727  ? 23  GLN A O   1 
ATOM   64   C CB  . GLN A 1 16  ? 17.02798  -12.73069 -25.92952 1.000 23.92272  ? 23  GLN A CB  1 
ATOM   65   C CG  . GLN A 1 16  ? 16.62623  -12.24704 -27.29693 1.000 26.55504  ? 23  GLN A CG  1 
ATOM   66   C CD  . GLN A 1 16  ? 16.00653  -10.86264 -27.20684 1.000 38.40475  ? 23  GLN A CD  1 
ATOM   67   O OE1 . GLN A 1 16  ? 14.79752  -10.71208 -27.14798 1.000 38.20006  ? 23  GLN A OE1 1 
ATOM   68   N NE2 . GLN A 1 16  ? 16.85601  -9.83420  -27.22429 1.000 41.76776  ? 23  GLN A NE2 1 
ATOM   69   N N   . ALA A 1 17  ? 19.23943  -14.32963 -24.21885 1.000 21.70712  ? 24  ALA A N   1 
ATOM   70   C CA  . ALA A 1 17  ? 19.85450  -14.71088 -22.94918 1.000 22.20022  ? 24  ALA A CA  1 
ATOM   71   C C   . ALA A 1 17  ? 19.17670  -14.04209 -21.76184 1.000 21.51493  ? 24  ALA A C   1 
ATOM   72   O O   . ALA A 1 17  ? 18.95851  -14.67751 -20.72450 1.000 25.41731  ? 24  ALA A O   1 
ATOM   73   C CB  . ALA A 1 17  ? 21.34468  -14.36191 -22.96107 1.000 29.56566  ? 24  ALA A CB  1 
ATOM   74   N N   . GLU A 1 18  ? 18.84335  -12.75928 -21.89055 1.000 25.46469  ? 25  GLU A N   1 
ATOM   75   C CA  . GLU A 1 18  ? 18.25260  -12.04129 -20.76823 1.000 24.31064  ? 25  GLU A CA  1 
ATOM   76   C C   . GLU A 1 18  ? 16.86180  -12.58123 -20.42565 1.000 22.12268  ? 25  GLU A C   1 
ATOM   77   O O   . GLU A 1 18  ? 16.45444  -12.56731 -19.25314 1.000 23.43025  ? 25  GLU A O   1 
ATOM   78   C CB  . GLU A 1 18  ? 18.18934  -10.54648 -21.09030 1.000 32.90861  ? 25  GLU A CB  1 
ATOM   79   C CG  . GLU A 1 18  ? 19.54677  -9.85945  -21.31751 1.000 35.64745  ? 25  GLU A CG  1 
ATOM   80   C CD  . GLU A 1 18  ? 20.09337  -10.00598 -22.74186 1.000 46.30047  ? 25  GLU A CD  1 
ATOM   81   O OE1 . GLU A 1 18  ? 19.50046  -10.74729 -23.56461 1.000 33.60742  ? 25  GLU A OE1 1 
ATOM   82   O OE2 . GLU A 1 18  ? 21.12464  -9.36147  -23.04462 1.000 52.57980  ? 25  GLU A OE2 1 
ATOM   83   N N   . ILE A 1 19  ? 16.12455  -13.07389 -21.41821 1.000 22.91415  ? 26  ILE A N   1 
ATOM   84   C CA  . ILE A 1 19  ? 14.80784  -13.62758 -21.11624 1.000 17.99619  ? 26  ILE A CA  1 
ATOM   85   C C   . ILE A 1 19  ? 14.95044  -15.00455 -20.48754 1.000 21.12356  ? 26  ILE A C   1 
ATOM   86   O O   . ILE A 1 19  ? 14.21427  -15.35690 -19.56181 1.000 20.58936  ? 26  ILE A O   1 
ATOM   87   C CB  . ILE A 1 19  ? 13.91645  -13.67231 -22.37896 1.000 19.26732  ? 26  ILE A CB  1 
ATOM   88   C CG1 . ILE A 1 19  ? 13.38524  -12.27990 -22.75630 1.000 24.39502  ? 26  ILE A CG1 1 
ATOM   89   C CG2 . ILE A 1 19  ? 12.67005  -14.57743 -22.15121 1.000 20.23232  ? 26  ILE A CG2 1 
ATOM   90   C CD1 . ILE A 1 19  ? 14.41626  -11.17782 -22.95055 1.000 34.89218  ? 26  ILE A CD1 1 
ATOM   91   N N   . ALA A 1 20  ? 15.91232  -15.80070 -20.95345 1.000 18.78786  ? 27  ALA A N   1 
ATOM   92   C CA  . ALA A 1 20  ? 16.16352  -17.06676 -20.28477 1.000 19.45067  ? 27  ALA A CA  1 
ATOM   93   C C   . ALA A 1 20  ? 16.53919  -16.83804 -18.82098 1.000 19.51713  ? 27  ALA A C   1 
ATOM   94   O O   . ALA A 1 20  ? 16.11595  -17.59584 -17.94123 1.000 21.38915  ? 27  ALA A O   1 
ATOM   95   C CB  . ALA A 1 20  ? 17.27004  -17.83468 -21.01643 1.000 21.44911  ? 27  ALA A CB  1 
ATOM   96   N N   . GLN A 1 21  ? 17.31989  -15.78464 -18.55271 1.000 20.20113  ? 28  GLN A N   1 
ATOM   97   C CA  . GLN A 1 21  ? 17.69026  -15.43245 -17.18856 1.000 21.12193  ? 28  GLN A CA  1 
ATOM   98   C C   . GLN A 1 21  ? 16.46660  -15.06293 -16.36207 1.000 23.20284  ? 28  GLN A C   1 
ATOM   99   O O   . GLN A 1 21  ? 16.36119  -15.44493 -15.19165 1.000 25.60745  ? 28  GLN A O   1 
ATOM   100  C CB  . GLN A 1 21  ? 18.66691  -14.25975 -17.20555 1.000 25.21678  ? 28  GLN A CB  1 
ATOM   101  C CG  . GLN A 1 21  ? 19.62505  -14.23066 -16.05530 1.000 46.37375  ? 28  GLN A CG  1 
ATOM   102  C CD  . GLN A 1 21  ? 20.64529  -13.12477 -16.22997 1.000 61.83030  ? 28  GLN A CD  1 
ATOM   103  O OE1 . GLN A 1 21  ? 21.26183  -12.67318 -15.26154 1.000 67.73870  ? 28  GLN A OE1 1 
ATOM   104  N NE2 . GLN A 1 21  ? 20.82048  -12.67107 -17.47968 1.000 46.12288  ? 28  GLN A NE2 1 
ATOM   105  N N   . LEU A 1 22  ? 15.56524  -14.26445 -16.94209 1.000 20.19727  ? 29  LEU A N   1 
ATOM   106  C CA  . LEU A 1 22  ? 14.32142  -13.89757 -16.25152 1.000 20.50226  ? 29  LEU A CA  1 
ATOM   107  C C   . LEU A 1 22  ? 13.51754  -15.13295 -15.88134 1.000 22.97935  ? 29  LEU A C   1 
ATOM   108  O O   . LEU A 1 22  ? 13.04398  -15.27701 -14.74282 1.000 21.24101  ? 29  LEU A O   1 
ATOM   109  C CB  . LEU A 1 22  ? 13.48388  -12.97180 -17.14277 1.000 22.17746  ? 29  LEU A CB  1 
ATOM   110  C CG  . LEU A 1 22  ? 12.04630  -12.67771 -16.65562 1.000 22.39280  ? 29  LEU A CG  1 
ATOM   111  C CD1 . LEU A 1 22  ? 12.09137  -11.76839 -15.45460 1.000 27.82214  ? 29  LEU A CD1 1 
ATOM   112  C CD2 . LEU A 1 22  ? 11.22781  -12.03564 -17.76996 1.000 24.45514  ? 29  LEU A CD2 1 
ATOM   113  N N   . MET A 1 23  ? 13.33735  -16.04053 -16.84072 1.000 18.23906  ? 30  MET A N   1 
ATOM   114  C CA  . MET A 1 23  ? 12.53506  -17.22495 -16.56567 1.000 19.11814  ? 30  MET A CA  1 
ATOM   115  C C   . MET A 1 23  ? 13.19666  -18.11393 -15.51837 1.000 20.74059  ? 30  MET A C   1 
ATOM   116  O O   . MET A 1 23  ? 12.51980  -18.66969 -14.64157 1.000 19.53484  ? 30  MET A O   1 
ATOM   117  C CB  . MET A 1 23  ? 12.20442  -18.01017 -17.84954 1.000 16.44184  ? 30  MET A CB  1 
ATOM   118  C CG  . MET A 1 23  ? 11.43666  -17.20172 -18.88678 1.000 17.31033  ? 30  MET A CG  1 
ATOM   119  S SD  . MET A 1 23  ? 11.38259  -17.98209 -20.50887 1.000 20.10278  ? 30  MET A SD  1 
ATOM   120  C CE  . MET A 1 23  ? 10.27417  -19.32337 -20.13134 1.000 21.08314  ? 30  MET A CE  1 
ATOM   121  N N   . SER A 1 24  ? 14.51965  -18.24496 -15.57110 1.000 20.63673  ? 31  SER A N   1 
ATOM   122  C CA  . SER A 1 24  ? 15.19864  -19.01766 -14.54359 1.000 22.10730  ? 31  SER A CA  1 
ATOM   123  C C   . SER A 1 24  ? 14.99331  -18.39559 -13.15901 1.000 26.42615  ? 31  SER A C   1 
ATOM   124  O O   . SER A 1 24  ? 14.77036  -19.11024 -12.16689 1.000 25.91592  ? 31  SER A O   1 
ATOM   125  C CB  . SER A 1 24  ? 16.67946  -19.12893 -14.90966 1.000 27.70622  ? 31  SER A CB  1 
ATOM   126  O OG  . SER A 1 24  ? 17.37293  -19.92762 -13.96950 1.000 44.04728  ? 31  SER A OG  1 
ATOM   127  N N   . LEU A 1 25  ? 15.05298  -17.06518 -13.07192 1.000 21.70062  ? 32  LEU A N   1 
ATOM   128  C CA  . LEU A 1 25  ? 14.83114  -16.39963 -11.78878 1.000 23.46418  ? 32  LEU A CA  1 
ATOM   129  C C   . LEU A 1 25  ? 13.42360  -16.66777 -11.27866 1.000 27.49205  ? 32  LEU A C   1 
ATOM   130  O O   . LEU A 1 25  ? 13.21700  -16.94024 -10.08781 1.000 25.30620  ? 32  LEU A O   1 
ATOM   131  C CB  . LEU A 1 25  ? 15.07012  -14.89494 -11.93971 1.000 28.77378  ? 32  LEU A CB  1 
ATOM   132  C CG  . LEU A 1 25  ? 14.95555  -14.02769 -10.67891 1.000 39.34951  ? 32  LEU A CG  1 
ATOM   133  C CD1 . LEU A 1 25  ? 15.84818  -12.81290 -10.80364 1.000 39.49104  ? 32  LEU A CD1 1 
ATOM   134  C CD2 . LEU A 1 25  ? 13.50246  -13.59118 -10.45284 1.000 35.72710  ? 32  LEU A CD2 1 
ATOM   135  N N   . ILE A 1 26  ? 12.43852  -16.57912 -12.16486 1.000 20.65312  ? 33  ILE A N   1 
ATOM   136  C CA  . ILE A 1 26  ? 11.05881  -16.78732 -11.74282 1.000 22.93854  ? 33  ILE A CA  1 
ATOM   137  C C   . ILE A 1 26  ? 10.86771  -18.21468 -11.26291 1.000 21.66368  ? 33  ILE A C   1 
ATOM   138  O O   . ILE A 1 26  ? 10.15557  -18.47331 -10.28233 1.000 23.93375  ? 33  ILE A O   1 
ATOM   139  C CB  . ILE A 1 26  ? 10.11806  -16.44434 -12.90310 1.000 19.62722  ? 33  ILE A CB  1 
ATOM   140  C CG1 . ILE A 1 26  ? 10.14263  -14.92196 -13.10510 1.000 22.55725  ? 33  ILE A CG1 1 
ATOM   141  C CG2 . ILE A 1 26  ? 8.70410   -17.02255 -12.63848 1.000 20.00471  ? 33  ILE A CG2 1 
ATOM   142  C CD1 . ILE A 1 26  ? 9.47900   -14.42220 -14.39000 1.000 24.01484  ? 33  ILE A CD1 1 
ATOM   143  N N   . ILE A 1 27  ? 11.51232  -19.16481 -11.94125 1.000 22.17068  ? 34  ILE A N   1 
ATOM   144  C CA  . ILE A 1 27  ? 11.31454  -20.56790 -11.60731 1.000 24.29780  ? 34  ILE A CA  1 
ATOM   145  C C   . ILE A 1 27  ? 12.07054  -20.95132 -10.34638 1.000 27.41327  ? 34  ILE A C   1 
ATOM   146  O O   . ILE A 1 27  ? 11.58192  -21.76384 -9.54755  1.000 29.97540  ? 34  ILE A O   1 
ATOM   147  C CB  . ILE A 1 27  ? 11.72617  -21.43728 -12.81114 1.000 24.33323  ? 34  ILE A CB  1 
ATOM   148  C CG1 . ILE A 1 27  ? 10.69890  -21.28351 -13.93512 1.000 23.31047  ? 34  ILE A CG1 1 
ATOM   149  C CG2 . ILE A 1 27  ? 11.86623  -22.89083 -12.40150 1.000 25.35597  ? 34  ILE A CG2 1 
ATOM   150  C CD1 . ILE A 1 27  ? 11.20346  -21.76099 -15.29809 1.000 23.74110  ? 34  ILE A CD1 1 
ATOM   151  N N   . ASN A 1 28  ? 13.25025  -20.36261 -10.11815 1.000 25.37780  ? 35  ASN A N   1 
ATOM   152  C CA  . ASN A 1 28  ? 14.14771  -20.85371 -9.07946  1.000 28.48569  ? 35  ASN A CA  1 
ATOM   153  C C   . ASN A 1 28  ? 14.12797  -20.04815 -7.78665  1.000 34.35562  ? 35  ASN A C   1 
ATOM   154  O O   . ASN A 1 28  ? 14.59745  -20.55497 -6.76085  1.000 39.92157  ? 35  ASN A O   1 
ATOM   155  C CB  . ASN A 1 28  ? 15.58311  -20.89669 -9.61145  1.000 30.72212  ? 35  ASN A CB  1 
ATOM   156  C CG  . ASN A 1 28  ? 15.74781  -21.91851 -10.69672 1.000 41.06149  ? 35  ASN A CG  1 
ATOM   157  O OD1 . ASN A 1 28  ? 15.14013  -22.99188 -10.64404 1.000 40.71413  ? 35  ASN A OD1 1 
ATOM   158  N ND2 . ASN A 1 28  ? 16.56072  -21.59897 -11.69556 1.000 49.97915  ? 35  ASN A ND2 1 
ATOM   159  N N   . THR A 1 29  ? 13.63373  -18.81599 -7.80298  1.000 27.82777  ? 36  THR A N   1 
ATOM   160  C CA  . THR A 1 29  ? 13.64350  -18.00816 -6.58843  1.000 28.68000  ? 36  THR A CA  1 
ATOM   161  C C   . THR A 1 29  ? 12.57362  -18.50515 -5.62322  1.000 29.37681  ? 36  THR A C   1 
ATOM   162  O O   . THR A 1 29  ? 11.43876  -18.78028 -6.03181  1.000 28.30595  ? 36  THR A O   1 
ATOM   163  C CB  . THR A 1 29  ? 13.41031  -16.52774 -6.92667  1.000 28.94783  ? 36  THR A CB  1 
ATOM   164  O OG1 . THR A 1 29  ? 14.45987  -16.05325 -7.78530  1.000 30.21281  ? 36  THR A OG1 1 
ATOM   165  C CG2 . THR A 1 29  ? 13.42934  -15.68348 -5.65035  1.000 34.34802  ? 36  THR A CG2 1 
ATOM   166  N N   . PHE A 1 30  ? 12.93053  -18.63779 -4.34573  1.000 30.22141  ? 37  PHE A N   1 
ATOM   167  C CA  . PHE A 1 30  ? 11.89745  -18.91904 -3.35897  1.000 28.67537  ? 37  PHE A CA  1 
ATOM   168  C C   . PHE A 1 30  ? 11.04183  -17.67275 -3.16003  1.000 32.78955  ? 37  PHE A C   1 
ATOM   169  O O   . PHE A 1 30  ? 11.54605  -16.61971 -2.74703  1.000 28.29462  ? 37  PHE A O   1 
ATOM   170  C CB  . PHE A 1 30  ? 12.49422  -19.38513 -2.03893  1.000 28.67456  ? 37  PHE A CB  1 
ATOM   171  C CG  . PHE A 1 30  ? 11.44394  -19.69196 -1.00262  1.000 30.74041  ? 37  PHE A CG  1 
ATOM   172  C CD1 . PHE A 1 30  ? 10.65430  -20.82457 -1.11661  1.000 38.49549  ? 37  PHE A CD1 1 
ATOM   173  C CD2 . PHE A 1 30  ? 11.22434  -18.83977 0.06822   1.000 31.86450  ? 37  PHE A CD2 1 
ATOM   174  C CE1 . PHE A 1 30  ? 9.66215   -21.10752 -0.16135  1.000 33.83802  ? 37  PHE A CE1 1 
ATOM   175  C CE2 . PHE A 1 30  ? 10.23307  -19.11359 1.01856   1.000 34.12731  ? 37  PHE A CE2 1 
ATOM   176  C CZ  . PHE A 1 30  ? 9.45965   -20.24682 0.90311   1.000 34.31014  ? 37  PHE A CZ  1 
ATOM   177  N N   . TYR A 1 31  ? 9.74324   -17.79451 -3.44991  1.000 24.24650  ? 38  TYR A N   1 
ATOM   178  C CA  . TYR A 1 31  ? 8.84559   -16.64484 -3.39182  1.000 22.27238  ? 38  TYR A CA  1 
ATOM   179  C C   . TYR A 1 31  ? 7.41784   -17.17063 -3.24785  1.000 23.54945  ? 38  TYR A C   1 
ATOM   180  O O   . TYR A 1 31  ? 6.87098   -17.73856 -4.19645  1.000 22.46443  ? 38  TYR A O   1 
ATOM   181  C CB  . TYR A 1 31  ? 9.02468   -15.79470 -4.65917  1.000 24.49852  ? 38  TYR A CB  1 
ATOM   182  C CG  . TYR A 1 31  ? 8.07060   -14.63849 -4.71667  1.000 25.12779  ? 38  TYR A CG  1 
ATOM   183  C CD1 . TYR A 1 31  ? 8.27866   -13.53194 -3.90996  1.000 29.61309  ? 38  TYR A CD1 1 
ATOM   184  C CD2 . TYR A 1 31  ? 6.96679   -14.64768 -5.57601  1.000 30.64394  ? 38  TYR A CD2 1 
ATOM   185  C CE1 . TYR A 1 31  ? 7.42514   -12.47081 -3.91844  1.000 35.66344  ? 38  TYR A CE1 1 
ATOM   186  C CE2 . TYR A 1 31  ? 6.09243   -13.56138 -5.59484  1.000 31.53260  ? 38  TYR A CE2 1 
ATOM   187  C CZ  . TYR A 1 31  ? 6.34491   -12.48308 -4.76092  1.000 34.29266  ? 38  TYR A CZ  1 
ATOM   188  O OH  . TYR A 1 31  ? 5.51838   -11.38810 -4.72988  1.000 48.98567  ? 38  TYR A OH  1 
ATOM   189  N N   . SER A 1 32  ? 6.80651   -16.96978 -2.08113  1.000 22.60676  ? 39  SER A N   1 
ATOM   190  C CA  . SER A 1 32  ? 5.56604   -17.67846 -1.78198  1.000 22.59111  ? 39  SER A CA  1 
ATOM   191  C C   . SER A 1 32  ? 4.34376   -17.07034 -2.46704  1.000 27.29760  ? 39  SER A C   1 
ATOM   192  O O   . SER A 1 32  ? 3.35786   -17.78805 -2.67965  1.000 23.95832  ? 39  SER A O   1 
ATOM   193  C CB  . SER A 1 32  ? 5.35595   -17.72439 -0.27164  1.000 25.82574  ? 39  SER A CB  1 
ATOM   194  O OG  . SER A 1 32  ? 6.33602   -18.56880 0.30915   1.000 26.93700  ? 39  SER A OG  1 
ATOM   195  N N   . ASN A 1 33  ? 4.39496   -15.78833 -2.83669  1.000 23.48838  ? 40  ASN A N   1 
ATOM   196  C CA  . ASN A 1 33  ? 3.21402   -15.03617 -3.28189  1.000 23.47435  ? 40  ASN A CA  1 
ATOM   197  C C   . ASN A 1 33  ? 2.94833   -15.25605 -4.77643  1.000 24.48295  ? 40  ASN A C   1 
ATOM   198  O O   . ASN A 1 33  ? 2.88374   -14.32474 -5.58538  1.000 22.75278  ? 40  ASN A O   1 
ATOM   199  C CB  . ASN A 1 33  ? 3.42348   -13.56578 -2.93651  1.000 29.43740  ? 40  ASN A CB  1 
ATOM   200  C CG  . ASN A 1 33  ? 2.24159   -12.68224 -3.29969  1.000 28.60840  ? 40  ASN A CG  1 
ATOM   201  O OD1 . ASN A 1 33  ? 1.08038   -13.06595 -3.15231  1.000 27.40748  ? 40  ASN A OD1 1 
ATOM   202  N ND2 . ASN A 1 33  ? 2.54323   -11.45599 -3.69528  1.000 30.26697  ? 40  ASN A ND2 1 
ATOM   203  N N   . LYS A 1 34  ? 2.75379   -16.53389 -5.12886  1.000 19.90087  ? 41  LYS A N   1 
ATOM   204  C CA  . LYS A 1 34  ? 2.63822   -16.90650 -6.53332  1.000 18.53349  ? 41  LYS A CA  1 
ATOM   205  C C   . LYS A 1 34  ? 1.34509   -16.42526 -7.18096  1.000 19.91928  ? 41  LYS A C   1 
ATOM   206  O O   . LYS A 1 34  ? 1.29449   -16.33297 -8.41573  1.000 19.52712  ? 41  LYS A O   1 
ATOM   207  C CB  . LYS A 1 34  ? 2.73242   -18.42170 -6.67107  1.000 19.30828  ? 41  LYS A CB  1 
ATOM   208  C CG  . LYS A 1 34  ? 4.11108   -19.00357 -6.33081  1.000 21.79774  ? 41  LYS A CG  1 
ATOM   209  C CD  . LYS A 1 34  ? 4.10622   -20.53694 -6.50130  1.000 23.37488  ? 41  LYS A CD  1 
ATOM   210  C CE  . LYS A 1 34  ? 5.48479   -21.17553 -6.26699  1.000 22.59919  ? 41  LYS A CE  1 
ATOM   211  N NZ  . LYS A 1 34  ? 6.44173   -20.99624 -7.39798  1.000 22.87670  ? 41  LYS A NZ  1 
ATOM   212  N N   . GLU A 1 35  ? 0.30999   -16.11989 -6.38924  1.000 18.93395  ? 42  GLU A N   1 
ATOM   213  C CA  . GLU A 1 35  ? -1.00985  -15.83739 -6.95871  1.000 18.27228  ? 42  GLU A CA  1 
ATOM   214  C C   . GLU A 1 35  ? -1.00628  -14.63342 -7.88871  1.000 20.35506  ? 42  GLU A C   1 
ATOM   215  O O   . GLU A 1 35  ? -1.94363  -14.48088 -8.68054  1.000 20.41301  ? 42  GLU A O   1 
ATOM   216  C CB  . GLU A 1 35  ? -2.03750  -15.60985 -5.83572  1.000 19.83816  ? 42  GLU A CB  1 
ATOM   217  C CG  . GLU A 1 35  ? -1.89515  -14.29640 -5.08175  1.000 19.02010  ? 42  GLU A CG  1 
ATOM   218  C CD  . GLU A 1 35  ? -2.80564  -14.21868 -3.84784  1.000 26.14851  ? 42  GLU A CD  1 
ATOM   219  O OE1 . GLU A 1 35  ? -2.89098  -15.20638 -3.10179  1.000 33.71645  ? 42  GLU A OE1 1 
ATOM   220  O OE2 . GLU A 1 35  ? -3.41520  -13.15692 -3.62126  1.000 37.76318  ? 42  GLU A OE2 1 
ATOM   221  N N   . ILE A 1 36  ? 0.01159   -13.76926 -7.80198  1.000 19.07133  ? 43  ILE A N   1 
ATOM   222  C CA  . ILE A 1 36  ? 0.06250   -12.58725 -8.65801  1.000 17.38349  ? 43  ILE A CA  1 
ATOM   223  C C   . ILE A 1 36  ? 0.16330   -12.92712 -10.13924 1.000 19.11858  ? 43  ILE A C   1 
ATOM   224  O O   . ILE A 1 36  ? -0.05955  -12.03854 -10.97234 1.000 19.64293  ? 43  ILE A O   1 
ATOM   225  C CB  . ILE A 1 36  ? 1.22004   -11.64380 -8.26022  1.000 22.19238  ? 43  ILE A CB  1 
ATOM   226  C CG1 . ILE A 1 36  ? 2.55969   -12.34917 -8.43733  1.000 23.47312  ? 43  ILE A CG1 1 
ATOM   227  C CG2 . ILE A 1 36  ? 1.00838   -11.12801 -6.82248  1.000 26.07687  ? 43  ILE A CG2 1 
ATOM   228  C CD1 . ILE A 1 36  ? 3.23333   -12.01927 -9.76300  1.000 26.93619  ? 43  ILE A CD1 1 
ATOM   229  N N   . PHE A 1 37  ? 0.48776   -14.17973 -10.50884 1.000 16.09388  ? 44  PHE A N   1 
ATOM   230  C CA  . PHE A 1 37  ? 0.49513   -14.50529 -11.93555 1.000 16.87173  ? 44  PHE A CA  1 
ATOM   231  C C   . PHE A 1 37  ? -0.85991  -14.17946 -12.56393 1.000 19.20902  ? 44  PHE A C   1 
ATOM   232  O O   . PHE A 1 37  ? -0.92795  -13.73337 -13.71427 1.000 16.65855  ? 44  PHE A O   1 
ATOM   233  C CB  . PHE A 1 37  ? 0.83437   -15.99360 -12.16035 1.000 17.48712  ? 44  PHE A CB  1 
ATOM   234  C CG  . PHE A 1 37  ? -0.35102  -16.89028 -11.97357 1.000 15.93469  ? 44  PHE A CG  1 
ATOM   235  C CD1 . PHE A 1 37  ? -0.69651  -17.37740 -10.71461 1.000 20.50923  ? 44  PHE A CD1 1 
ATOM   236  C CD2 . PHE A 1 37  ? -1.16515  -17.21805 -13.05810 1.000 18.50242  ? 44  PHE A CD2 1 
ATOM   237  C CE1 . PHE A 1 37  ? -1.85437  -18.18226 -10.55233 1.000 16.40859  ? 44  PHE A CE1 1 
ATOM   238  C CE2 . PHE A 1 37  ? -2.30577  -18.01118 -12.89484 1.000 21.02612  ? 44  PHE A CE2 1 
ATOM   239  C CZ  . PHE A 1 37  ? -2.64963  -18.48390 -11.66193 1.000 16.05198  ? 44  PHE A CZ  1 
ATOM   240  N N   . LEU A 1 38  ? -1.95342  -14.38005 -11.82500 1.000 16.80994  ? 45  LEU A N   1 
ATOM   241  C CA  . LEU A 1 38  ? -3.25157  -14.23832 -12.47787 1.000 15.73498  ? 45  LEU A CA  1 
ATOM   242  C C   . LEU A 1 38  ? -3.55693  -12.76326 -12.71122 1.000 16.95015  ? 45  LEU A C   1 
ATOM   243  O O   . LEU A 1 38  ? -4.08490  -12.38273 -13.76920 1.000 18.10811  ? 45  LEU A O   1 
ATOM   244  C CB  . LEU A 1 38  ? -4.32702  -14.90910 -11.63924 1.000 16.62922  ? 45  LEU A CB  1 
ATOM   245  C CG  . LEU A 1 38  ? -5.72840  -14.91428 -12.27381 1.000 18.33704  ? 45  LEU A CG  1 
ATOM   246  C CD1 . LEU A 1 38  ? -5.68228  -15.63438 -13.61402 1.000 19.38719  ? 45  LEU A CD1 1 
ATOM   247  C CD2 . LEU A 1 38  ? -6.72532  -15.56712 -11.31652 1.000 24.06355  ? 45  LEU A CD2 1 
ATOM   248  N N   . ARG A 1 39  ? -3.20629  -11.91898 -11.73254 1.000 17.92120  ? 46  ARG A N   1 
ATOM   249  C CA  . ARG A 1 39  ? -3.33745  -10.47744 -11.90770 1.000 17.31680  ? 46  ARG A CA  1 
ATOM   250  C C   . ARG A 1 39  ? -2.58115  -10.01918 -13.14048 1.000 18.80095  ? 46  ARG A C   1 
ATOM   251  O O   . ARG A 1 39  ? -3.09435  -9.22256  -13.93378 1.000 19.88252  ? 46  ARG A O   1 
ATOM   252  C CB  . ARG A 1 39  ? -2.81735  -9.74896  -10.67125 1.000 20.15215  ? 46  ARG A CB  1 
ATOM   253  C CG  . ARG A 1 39  ? -2.77686  -8.25526  -10.82720 1.000 24.79058  ? 46  ARG A CG  1 
ATOM   254  C CD  . ARG A 1 39  ? -2.07085  -7.60398  -9.63353  1.000 32.61013  ? 46  ARG A CD  1 
ATOM   255  N NE  . ARG A 1 39  ? -0.63711  -7.88462  -9.58739  1.000 32.11854  ? 46  ARG A NE  1 
ATOM   256  C CZ  . ARG A 1 39  ? 0.12736   -7.71407  -8.51738  1.000 34.32538  ? 46  ARG A CZ  1 
ATOM   257  N NH1 . ARG A 1 39  ? -0.36877  -7.27814  -7.36844  1.000 36.36842  ? 46  ARG A NH1 1 
ATOM   258  N NH2 . ARG A 1 39  ? 1.42794   -7.97684  -8.60112  1.000 41.95104  ? 46  ARG A NH2 1 
ATOM   259  N N   . GLU A 1 40  ? -1.36914  -10.54281 -13.33496 1.000 16.41875  ? 47  GLU A N   1 
ATOM   260  C CA  . GLU A 1 40  ? -0.53501  -10.06900 -14.43043 1.000 16.90390  ? 47  GLU A CA  1 
ATOM   261  C C   . GLU A 1 40  ? -1.09825  -10.49027 -15.77841 1.000 18.21190  ? 47  GLU A C   1 
ATOM   262  O O   . GLU A 1 40  ? -1.07241  -9.70962  -16.74317 1.000 16.76183  ? 47  GLU A O   1 
ATOM   263  C CB  . GLU A 1 40  ? 0.90017   -10.58582 -14.25631 1.000 17.07370  ? 47  GLU A CB  1 
ATOM   264  C CG  . GLU A 1 40  ? 1.55663   -10.07238 -12.98996 1.000 20.62141  ? 47  GLU A CG  1 
ATOM   265  C CD  . GLU A 1 40  ? 1.49604   -8.54761  -12.86106 1.000 28.39231  ? 47  GLU A CD  1 
ATOM   266  O OE1 . GLU A 1 40  ? 1.59344   -7.84810  -13.88914 1.000 25.76902  ? 47  GLU A OE1 1 
ATOM   267  O OE2 . GLU A 1 40  ? 1.36479   -8.03499  -11.72261 1.000 31.81307  ? 47  GLU A OE2 1 
ATOM   268  N N   . LEU A 1 41  ? -1.60864  -11.72015 -15.87516 1.000 16.09636  ? 48  LEU A N   1 
ATOM   269  C CA  . LEU A 1 41  ? -2.16486  -12.15799 -17.15701 1.000 16.90301  ? 48  LEU A CA  1 
ATOM   270  C C   . LEU A 1 41  ? -3.48107  -11.45499 -17.45180 1.000 18.10186  ? 48  LEU A C   1 
ATOM   271  O O   . LEU A 1 41  ? -3.77580  -11.14906 -18.61022 1.000 16.08527  ? 48  LEU A O   1 
ATOM   272  C CB  . LEU A 1 41  ? -2.36089  -13.67086 -17.15739 1.000 17.56128  ? 48  LEU A CB  1 
ATOM   273  C CG  . LEU A 1 41  ? -1.05834  -14.46741 -17.05806 1.000 17.63834  ? 48  LEU A CG  1 
ATOM   274  C CD1 . LEU A 1 41  ? -1.33961  -15.97736 -16.90927 1.000 17.21734  ? 48  LEU A CD1 1 
ATOM   275  C CD2 . LEU A 1 41  ? -0.11476  -14.20752 -18.27382 1.000 18.11040  ? 48  LEU A CD2 1 
ATOM   276  N N   . ILE A 1 42  ? -4.29629  -11.21183 -16.42619 1.000 14.47343  ? 49  ILE A N   1 
ATOM   277  C CA  . ILE A 1 42  ? -5.54797  -10.49503 -16.65447 1.000 17.72318  ? 49  ILE A CA  1 
ATOM   278  C C   . ILE A 1 42  ? -5.24925  -9.05987  -17.07653 1.000 18.45018  ? 49  ILE A C   1 
ATOM   279  O O   . ILE A 1 42  ? -5.92657  -8.49534  -17.95319 1.000 17.24660  ? 49  ILE A O   1 
ATOM   280  C CB  . ILE A 1 42  ? -6.43519  -10.55886 -15.39142 1.000 16.07709  ? 49  ILE A CB  1 
ATOM   281  C CG1 . ILE A 1 42  ? -7.03910  -11.96739 -15.24178 1.000 16.68958  ? 49  ILE A CG1 1 
ATOM   282  C CG2 . ILE A 1 42  ? -7.53789  -9.49724  -15.45460 1.000 17.95670  ? 49  ILE A CG2 1 
ATOM   283  C CD1 . ILE A 1 42  ? -7.77022  -12.20141 -13.91281 1.000 18.19395  ? 49  ILE A CD1 1 
ATOM   284  N N   . SER A 1 43  ? -4.19977  -8.46770  -16.50458 1.000 17.95765  ? 50  SER A N   1 
ATOM   285  C CA  . SER A 1 43  ? -3.81584  -7.11848  -16.88722 1.000 18.30887  ? 50  SER A CA  1 
ATOM   286  C C   . SER A 1 43  ? -3.34040  -7.09071  -18.33976 1.000 17.91149  ? 50  SER A C   1 
ATOM   287  O O   . SER A 1 43  ? -3.68295  -6.17165  -19.09650 1.000 17.82086  ? 50  SER A O   1 
ATOM   288  C CB  . SER A 1 43  ? -2.74816  -6.59463  -15.91151 1.000 23.85687  ? 50  SER A CB  1 
ATOM   289  O OG  . SER A 1 43  ? -2.16829  -5.40171  -16.39883 1.000 29.74753  ? 50  SER A OG  1 
ATOM   290  N N   . ASN A 1 44  ? -2.56808  -8.10018  -18.75668 1.000 16.42578  ? 51  ASN A N   1 
ATOM   291  C CA  . ASN A 1 44  ? -2.18774  -8.17296  -20.16744 1.000 15.73169  ? 51  ASN A CA  1 
ATOM   292  C C   . ASN A 1 44  ? -3.40654  -8.28630  -21.06186 1.000 16.82710  ? 51  ASN A C   1 
ATOM   293  O O   . ASN A 1 44  ? -3.44870  -7.68025  -22.14531 1.000 16.04012  ? 51  ASN A O   1 
ATOM   294  C CB  . ASN A 1 44  ? -1.24620  -9.34729  -20.46257 1.000 18.62723  ? 51  ASN A CB  1 
ATOM   295  C CG  . ASN A 1 44  ? 0.11389   -9.18415  -19.83797 1.000 26.72366  ? 51  ASN A CG  1 
ATOM   296  O OD1 . ASN A 1 44  ? 0.49928   -8.08743  -19.42351 1.000 24.56617  ? 51  ASN A OD1 1 
ATOM   297  N ND2 . ASN A 1 44  ? 0.90589   -10.25407 -19.87559 1.000 24.53708  ? 51  ASN A ND2 1 
ATOM   298  N N   . SER A 1 45  ? -4.38608  -9.09878  -20.65039 1.000 15.38349  ? 52  SER A N   1 
ATOM   299  C CA  . SER A 1 45  ? -5.61446  -9.22702  -21.43561 1.000 17.08123  ? 52  SER A CA  1 
ATOM   300  C C   . SER A 1 45  ? -6.34322  -7.88803  -21.53024 1.000 14.12706  ? 52  SER A C   1 
ATOM   301  O O   . SER A 1 45  ? -6.79026  -7.48851  -22.61747 1.000 15.97358  ? 52  SER A O   1 
ATOM   302  C CB  . SER A 1 45  ? -6.53179  -10.29770 -20.82053 1.000 15.36239  ? 52  SER A CB  1 
ATOM   303  O OG  . SER A 1 45  ? -6.03186  -11.61338 -21.00620 1.000 17.62951  ? 52  SER A OG  1 
ATOM   304  N N   . SER A 1 46  ? -6.44073  -7.16713  -20.39964 1.000 14.55917  ? 53  SER A N   1 
ATOM   305  C CA  . SER A 1 46  ? -7.07013  -5.85073  -20.40995 1.000 17.58338  ? 53  SER A CA  1 
ATOM   306  C C   . SER A 1 46  ? -6.34151  -4.90984  -21.36344 1.000 19.19744  ? 53  SER A C   1 
ATOM   307  O O   . SER A 1 46  ? -6.98664  -4.17998  -22.13019 1.000 17.50673  ? 53  SER A O   1 
ATOM   308  C CB  . SER A 1 46  ? -7.10992  -5.28027  -18.98732 1.000 16.91969  ? 53  SER A CB  1 
ATOM   309  O OG  . SER A 1 46  ? -7.69850  -3.97807  -18.97134 1.000 19.58701  ? 53  SER A OG  1 
ATOM   310  N N   . ASP A 1 47  ? -4.99433  -4.91257  -21.33857 1.000 15.79201  ? 54  ASP A N   1 
ATOM   311  C CA  . ASP A 1 47  ? -4.24834  -4.07646  -22.27677 1.000 17.09388  ? 54  ASP A CA  1 
ATOM   312  C C   . ASP A 1 47  ? -4.55784  -4.44201  -23.72549 1.000 18.48729  ? 54  ASP A C   1 
ATOM   313  O O   . ASP A 1 47  ? -4.71293  -3.55192  -24.57245 1.000 19.23488  ? 54  ASP A O   1 
ATOM   314  C CB  . ASP A 1 47  ? -2.73532  -4.15933  -22.05644 1.000 17.69382  ? 54  ASP A CB  1 
ATOM   315  C CG  . ASP A 1 47  ? -2.27776  -3.50639  -20.74722 1.000 29.37542  ? 54  ASP A CG  1 
ATOM   316  O OD1 . ASP A 1 47  ? -1.17278  -3.85266  -20.26087 1.000 28.66822  ? 54  ASP A OD1 1 
ATOM   317  O OD2 . ASP A 1 47  ? -3.05462  -2.73064  -20.14133 1.000 25.53479  ? 54  ASP A OD2 1 
ATOM   318  N N   . ALA A 1 48  ? -4.67645  -5.74833  -24.02709 1.000 14.10137  ? 55  ALA A N   1 
ATOM   319  C CA  . ALA A 1 48  ? -5.00220  -6.19836  -25.38299 1.000 15.96877  ? 55  ALA A CA  1 
ATOM   320  C C   . ALA A 1 48  ? -6.39438  -5.75299  -25.80531 1.000 17.31364  ? 55  ALA A C   1 
ATOM   321  O O   . ALA A 1 48  ? -6.62978  -5.40278  -26.97028 1.000 16.49515  ? 55  ALA A O   1 
ATOM   322  C CB  . ALA A 1 48  ? -4.91172  -7.72776  -25.45470 1.000 16.18599  ? 55  ALA A CB  1 
ATOM   323  N N   . LEU A 1 49  ? -7.34753  -5.84399  -24.88801 1.000 16.15887  ? 56  LEU A N   1 
ATOM   324  C CA  . LEU A 1 49  ? -8.69758  -5.39618  -25.18599 1.000 16.02747  ? 56  LEU A CA  1 
ATOM   325  C C   . LEU A 1 49  ? -8.72603  -3.88736  -25.40857 1.000 17.40890  ? 56  LEU A C   1 
ATOM   326  O O   . LEU A 1 49  ? -9.42768  -3.40470  -26.30908 1.000 18.94546  ? 56  LEU A O   1 
ATOM   327  C CB  . LEU A 1 49  ? -9.63185  -5.83113  -24.04410 1.000 18.03072  ? 56  LEU A CB  1 
ATOM   328  C CG  . LEU A 1 49  ? -9.86201  -7.35833  -24.05035 1.000 16.03865  ? 56  LEU A CG  1 
ATOM   329  C CD1 . LEU A 1 49  ? -10.22980 -7.88509  -22.67606 1.000 17.36383  ? 56  LEU A CD1 1 
ATOM   330  C CD2 . LEU A 1 49  ? -10.90997 -7.73252  -25.09093 1.000 18.13400  ? 56  LEU A CD2 1 
ATOM   331  N N   . ASP A 1 50  ? -7.96506  -3.12906  -24.60732 1.000 16.30178  ? 57  ASP A N   1 
ATOM   332  C CA  . ASP A 1 50  ? -7.90817  -1.68306  -24.80268 1.000 16.02006  ? 57  ASP A CA  1 
ATOM   333  C C   . ASP A 1 50  ? -7.43338  -1.35566  -26.20870 1.000 18.08256  ? 57  ASP A C   1 
ATOM   334  O O   . ASP A 1 50  ? -7.94820  -0.42874  -26.84240 1.000 19.85168  ? 57  ASP A O   1 
ATOM   335  C CB  . ASP A 1 50  ? -6.96207  -1.01280  -23.80237 1.000 17.35028  ? 57  ASP A CB  1 
ATOM   336  C CG  . ASP A 1 50  ? -7.50321  -0.96635  -22.38767 1.000 23.14896  ? 57  ASP A CG  1 
ATOM   337  O OD1 . ASP A 1 50  ? -8.68253  -1.33565  -22.13834 1.000 22.47508  ? 57  ASP A OD1 1 
ATOM   338  O OD2 . ASP A 1 50  ? -6.71490  -0.53833  -21.51937 1.000 24.60874  ? 57  ASP A OD2 1 
ATOM   339  N N   . LYS A 1 51  ? -6.42954  -2.09633  -26.69829 1.000 16.73914  ? 58  LYS A N   1 
ATOM   340  C CA  . LYS A 1 51  ? -5.86543  -1.78042  -28.01342 1.000 17.33547  ? 58  LYS A CA  1 
ATOM   341  C C   . LYS A 1 51  ? -6.85964  -1.99888  -29.13577 1.000 19.93125  ? 58  LYS A C   1 
ATOM   342  O O   . LYS A 1 51  ? -6.96162  -1.15998  -30.03965 1.000 21.59138  ? 58  LYS A O   1 
ATOM   343  C CB  . LYS A 1 51  ? -4.57725  -2.57788  -28.25946 1.000 18.78637  ? 58  LYS A CB  1 
ATOM   344  C CG  . LYS A 1 51  ? -3.49464  -2.32360  -27.21900 1.000 22.13842  ? 58  LYS A CG  1 
ATOM   345  C CD  . LYS A 1 51  ? -2.27215  -3.22360  -27.44142 1.000 25.62864  ? 58  LYS A CD  1 
ATOM   346  C CE  . LYS A 1 51  ? -1.15847  -2.82145  -26.45729 1.000 35.18261  ? 58  LYS A CE  1 
ATOM   347  N NZ  . LYS A 1 51  ? 0.00943   -3.74435  -26.41446 1.000 44.48441  ? 58  LYS A NZ  1 
ATOM   348  N N   . ILE A 1 52  ? -7.59374  -3.11255  -29.12579 1.000 16.63190  ? 59  ILE A N   1 
ATOM   349  C CA  . ILE A 1 52  ? -8.53636  -3.31321  -30.23146 1.000 17.14894  ? 59  ILE A CA  1 
ATOM   350  C C   . ILE A 1 52  ? -9.70966  -2.36001  -30.09250 1.000 17.43727  ? 59  ILE A C   1 
ATOM   351  O O   . ILE A 1 52  ? -10.22867 -1.86941  -31.09710 1.000 19.22641  ? 59  ILE A O   1 
ATOM   352  C CB  . ILE A 1 52  ? -8.98126  -4.78212  -30.33986 1.000 19.43209  ? 59  ILE A CB  1 
ATOM   353  C CG1 . ILE A 1 52  ? -9.80731  -4.98069  -31.62211 1.000 22.38988  ? 59  ILE A CG1 1 
ATOM   354  C CG2 . ILE A 1 52  ? -9.73016  -5.22675  -29.07919 1.000 19.08298  ? 59  ILE A CG2 1 
ATOM   355  C CD1 . ILE A 1 52  ? -9.02723  -4.71736  -32.89978 1.000 25.34490  ? 59  ILE A CD1 1 
ATOM   356  N N   . ARG A 1 53  ? -10.09669 -2.01798  -28.86056 1.000 18.35436  ? 60  ARG A N   1 
ATOM   357  C CA  . ARG A 1 53  ? -11.16131 -1.03107  -28.69329 1.000 20.34140  ? 60  ARG A CA  1 
ATOM   358  C C   . ARG A 1 53  ? -10.74683 0.30942   -29.28632 1.000 19.37910  ? 60  ARG A C   1 
ATOM   359  O O   . ARG A 1 53  ? -11.50396 0.92257   -30.05280 1.000 21.65824  ? 60  ARG A O   1 
ATOM   360  C CB  . ARG A 1 53  ? -11.52969 -0.87606  -27.21496 1.000 22.44698  ? 60  ARG A CB  1 
ATOM   361  C CG  . ARG A 1 53  ? -12.60782 0.18529   -27.05210 1.000 28.62766  ? 60  ARG A CG  1 
ATOM   362  C CD  . ARG A 1 53  ? -13.05396 0.32839   -25.62651 1.000 48.05283  ? 60  ARG A CD  1 
ATOM   363  N NE  . ARG A 1 53  ? -14.15591 -0.55926  -25.27451 1.000 44.25310  ? 60  ARG A NE  1 
ATOM   364  C CZ  . ARG A 1 53  ? -14.35656 -1.01891  -24.04808 1.000 50.98909  ? 60  ARG A CZ  1 
ATOM   365  N NH1 . ARG A 1 53  ? -13.51610 -0.74113  -23.06393 1.000 41.46863  ? 60  ARG A NH1 1 
ATOM   366  N NH2 . ARG A 1 53  ? -15.42629 -1.77062  -23.80107 1.000 40.67540  ? 60  ARG A NH2 1 
ATOM   367  N N   . TYR A 1 54  ? -9.51011  0.74748   -28.99784 1.000 17.57318  ? 61  TYR A N   1 
ATOM   368  C CA  . TYR A 1 54  ? -9.03904  2.02594   -29.52136 1.000 18.64088  ? 61  TYR A CA  1 
ATOM   369  C C   . TYR A 1 54  ? -9.02121  2.00465   -31.04724 1.000 22.64981  ? 61  TYR A C   1 
ATOM   370  O O   . TYR A 1 54  ? -9.46871  2.95657   -31.69815 1.000 22.38134  ? 61  TYR A O   1 
ATOM   371  C CB  . TYR A 1 54  ? -7.65520  2.35136   -28.96629 1.000 20.46838  ? 61  TYR A CB  1 
ATOM   372  C CG  . TYR A 1 54  ? -7.18662  3.69253   -29.46443 1.000 25.30608  ? 61  TYR A CG  1 
ATOM   373  C CD1 . TYR A 1 54  ? -7.72964  4.86828   -28.96676 1.000 22.52744  ? 61  TYR A CD1 1 
ATOM   374  C CD2 . TYR A 1 54  ? -6.27243  3.77574   -30.50204 1.000 22.38039  ? 61  TYR A CD2 1 
ATOM   375  C CE1 . TYR A 1 54  ? -7.32688  6.09146   -29.43993 1.000 24.72053  ? 61  TYR A CE1 1 
ATOM   376  C CE2 . TYR A 1 54  ? -5.86034  4.99680   -30.99663 1.000 28.55663  ? 61  TYR A CE2 1 
ATOM   377  C CZ  . TYR A 1 54  ? -6.38819  6.15261   -30.46560 1.000 28.88220  ? 61  TYR A CZ  1 
ATOM   378  O OH  . TYR A 1 54  ? -5.97844  7.36957   -30.95591 1.000 30.20938  ? 61  TYR A OH  1 
ATOM   379  N N   . GLU A 1 55  ? -8.51813  0.91926   -31.63696 1.000 21.22969  ? 62  GLU A N   1 
ATOM   380  C CA  . GLU A 1 55  ? -8.46881  0.84778   -33.09596 1.000 24.63160  ? 62  GLU A CA  1 
ATOM   381  C C   . GLU A 1 55  ? -9.87211  0.86852   -33.69109 1.000 26.82007  ? 62  GLU A C   1 
ATOM   382  O O   . GLU A 1 55  ? -10.10023 1.47696   -34.74412 1.000 28.25122  ? 62  GLU A O   1 
ATOM   383  C CB  . GLU A 1 55  ? -7.72117  -0.41100  -33.52518 1.000 26.07970  ? 62  GLU A CB  1 
ATOM   384  C CG  . GLU A 1 55  ? -6.22630  -0.16727  -33.68185 1.000 31.40466  ? 62  GLU A CG  1 
ATOM   385  C CD  . GLU A 1 55  ? -5.48158  -1.39451  -34.16257 1.000 37.83532  ? 62  GLU A CD  1 
ATOM   386  O OE1 . GLU A 1 55  ? -6.15077  -2.34364  -34.62256 1.000 37.90731  ? 62  GLU A OE1 1 
ATOM   387  O OE2 . GLU A 1 55  ? -4.22944  -1.40817  -34.09774 1.000 39.26152  ? 62  GLU A OE2 1 
ATOM   388  N N   . SER A 1 56  ? -10.83719 0.23831   -33.01457 1.000 22.42942  ? 63  SER A N   1 
ATOM   389  C CA  . SER A 1 56  ? -12.21064 0.21145   -33.51944 1.000 24.88830  ? 63  SER A CA  1 
ATOM   390  C C   . SER A 1 56  ? -12.88366 1.58234   -33.47866 1.000 22.68812  ? 63  SER A C   1 
ATOM   391  O O   . SER A 1 56  ? -13.91302 1.78205   -34.14504 1.000 26.44668  ? 63  SER A O   1 
ATOM   392  C CB  . SER A 1 56  ? -13.04476 -0.79964  -32.72187 1.000 27.24505  ? 63  SER A CB  1 
ATOM   393  O OG  . SER A 1 56  ? -13.45828 -0.26524  -31.45663 1.000 28.32352  ? 63  SER A OG  1 
ATOM   394  N N   . LEU A 1 57  ? -12.34223 2.53122   -32.71065 1.000 24.55860  ? 64  LEU A N   1 
ATOM   395  C CA  . LEU A 1 57  ? -12.99518 3.83582   -32.61540 1.000 28.14820  ? 64  LEU A CA  1 
ATOM   396  C C   . LEU A 1 57  ? -12.97058 4.57762   -33.93748 1.000 34.95194  ? 64  LEU A C   1 
ATOM   397  O O   . LEU A 1 57  ? -13.84676 5.40791   -34.19686 1.000 36.52270  ? 64  LEU A O   1 
ATOM   398  C CB  . LEU A 1 57  ? -12.34105 4.71542   -31.54823 1.000 24.80056  ? 64  LEU A CB  1 
ATOM   399  C CG  . LEU A 1 57  ? -12.49830 4.17808   -30.12333 1.000 29.29361  ? 64  LEU A CG  1 
ATOM   400  C CD1 . LEU A 1 57  ? -11.87112 5.14431   -29.12118 1.000 29.40641  ? 64  LEU A CD1 1 
ATOM   401  C CD2 . LEU A 1 57  ? -13.95094 3.92646   -29.78317 1.000 31.90404  ? 64  LEU A CD2 1 
ATOM   402  N N   . THR A 1 58  ? -11.97264 4.32242   -34.76938 1.000 25.49981  ? 65  THR A N   1 
ATOM   403  C CA  . THR A 1 58  ? -11.89456 4.98483   -36.06417 1.000 31.23503  ? 65  THR A CA  1 
ATOM   404  C C   . THR A 1 58  ? -12.11126 4.03143   -37.22659 1.000 37.21130  ? 65  THR A C   1 
ATOM   405  O O   . THR A 1 58  ? -12.24274 4.49015   -38.36724 1.000 39.84113  ? 65  THR A O   1 
ATOM   406  C CB  . THR A 1 58  ? -10.53952 5.69449   -36.23199 1.000 41.73381  ? 65  THR A CB  1 
ATOM   407  O OG1 . THR A 1 58  ? -9.47726  4.74347   -36.10888 1.000 39.41061  ? 65  THR A OG1 1 
ATOM   408  C CG2 . THR A 1 58  ? -10.36210 6.77292   -35.17747 1.000 32.48195  ? 65  THR A CG2 1 
ATOM   409  N N   . ASP A 1 59  ? -12.17585 2.72795   -36.96594 1.000 34.27732  ? 66  ASP A N   1 
ATOM   410  C CA  . ASP A 1 59  ? -12.34855 1.71647   -38.00729 1.000 33.03054  ? 66  ASP A CA  1 
ATOM   411  C C   . ASP A 1 59  ? -13.20552 0.59705   -37.43716 1.000 29.31396  ? 66  ASP A C   1 
ATOM   412  O O   . ASP A 1 59  ? -12.68681 -0.37335  -36.87529 1.000 31.04450  ? 66  ASP A O   1 
ATOM   413  C CB  . ASP A 1 59  ? -11.00187 1.16832   -38.48028 1.000 29.93872  ? 66  ASP A CB  1 
ATOM   414  C CG  . ASP A 1 59  ? -11.14707 0.19978   -39.64033 1.000 37.00468  ? 66  ASP A CG  1 
ATOM   415  O OD1 . ASP A 1 59  ? -12.28750 -0.01689  -40.09523 1.000 38.36405  ? 66  ASP A OD1 1 
ATOM   416  O OD2 . ASP A 1 59  ? -10.12479 -0.35350  -40.08599 1.000 39.05027  ? 66  ASP A OD2 1 
ATOM   417  N N   . PRO A 1 60  ? -14.52863 0.69232   -37.56423 1.000 39.00221  ? 67  PRO A N   1 
ATOM   418  C CA  . PRO A 1 60  ? -15.37622 -0.33998  -36.94489 1.000 32.71872  ? 67  PRO A CA  1 
ATOM   419  C C   . PRO A 1 60  ? -15.12990 -1.73472  -37.50173 1.000 32.80792  ? 67  PRO A C   1 
ATOM   420  O O   . PRO A 1 60  ? -15.38769 -2.72020  -36.79834 1.000 33.51615  ? 67  PRO A O   1 
ATOM   421  C CB  . PRO A 1 60  ? -16.80519 0.14785   -37.23702 1.000 36.72812  ? 67  PRO A CB  1 
ATOM   422  C CG  . PRO A 1 60  ? -16.67774 1.58876   -37.60134 1.000 48.59510  ? 67  PRO A CG  1 
ATOM   423  C CD  . PRO A 1 60  ? -15.30296 1.80269   -38.14406 1.000 38.66169  ? 67  PRO A CD  1 
ATOM   424  N N   . SER A 1 61  ? -14.62432 -1.85385  -38.74097 1.000 32.78775  ? 68  SER A N   1 
ATOM   425  C CA  . SER A 1 61  ? -14.39619 -3.17699  -39.31285 1.000 34.52034  ? 68  SER A CA  1 
ATOM   426  C C   . SER A 1 61  ? -13.33643 -3.96557  -38.55270 1.000 32.79105  ? 68  SER A C   1 
ATOM   427  O O   . SER A 1 61  ? -13.22603 -5.17978  -38.75543 1.000 29.16373  ? 68  SER A O   1 
ATOM   428  C CB  . SER A 1 61  ? -13.99205 -3.06920  -40.78288 1.000 35.18970  ? 68  SER A CB  1 
ATOM   429  O OG  . SER A 1 61  ? -12.68067 -2.54770  -40.90301 1.000 36.32904  ? 68  SER A OG  1 
ATOM   430  N N   . LYS A 1 62  ? -12.54937 -3.30765  -37.69562 1.000 25.29939  ? 69  LYS A N   1 
ATOM   431  C CA  . LYS A 1 62  ? -11.60769 -4.02573  -36.84850 1.000 27.51241  ? 69  LYS A CA  1 
ATOM   432  C C   . LYS A 1 62  ? -12.30314 -5.03858  -35.94798 1.000 28.17971  ? 69  LYS A C   1 
ATOM   433  O O   . LYS A 1 62  ? -11.65923 -5.97994  -35.47474 1.000 24.37923  ? 69  LYS A O   1 
ATOM   434  C CB  . LYS A 1 62  ? -10.82029 -3.03310  -35.99723 1.000 32.30842  ? 69  LYS A CB  1 
ATOM   435  C CG  . LYS A 1 62  ? -9.97523  -2.06341  -36.80713 1.000 34.07242  ? 69  LYS A CG  1 
ATOM   436  C CD  . LYS A 1 62  ? -8.53543  -2.49043  -36.83290 1.000 35.38555  ? 69  LYS A CD  1 
ATOM   437  C CE  . LYS A 1 62  ? -7.70554  -1.62799  -37.75687 1.000 38.73025  ? 69  LYS A CE  1 
ATOM   438  N NZ  . LYS A 1 62  ? -6.30885  -2.14539  -37.70597 1.000 38.64147  ? 69  LYS A NZ  1 
ATOM   439  N N   . LEU A 1 63  ? -13.60055 -4.87208  -35.69669 1.000 26.54345  ? 70  LEU A N   1 
ATOM   440  C CA  . LEU A 1 63  ? -14.34408 -5.79858  -34.85573 1.000 28.09737  ? 70  LEU A CA  1 
ATOM   441  C C   . LEU A 1 63  ? -15.14842 -6.80917  -35.66201 1.000 23.56122  ? 70  LEU A C   1 
ATOM   442  O O   . LEU A 1 63  ? -15.95636 -7.54591  -35.08396 1.000 31.80305  ? 70  LEU A O   1 
ATOM   443  C CB  . LEU A 1 63  ? -15.27192 -5.03117  -33.91284 1.000 27.36115  ? 70  LEU A CB  1 
ATOM   444  C CG  . LEU A 1 63  ? -14.56815 -4.13968  -32.89415 1.000 26.35393  ? 70  LEU A CG  1 
ATOM   445  C CD1 . LEU A 1 63  ? -15.62052 -3.41768  -32.04865 1.000 29.13238  ? 70  LEU A CD1 1 
ATOM   446  C CD2 . LEU A 1 63  ? -13.66261 -4.98251  -32.04140 1.000 25.01294  ? 70  LEU A CD2 1 
ATOM   447  N N   . ASP A 1 64  ? -14.94513 -6.87775  -36.97758 1.000 27.55218  ? 71  ASP A N   1 
ATOM   448  C CA  . ASP A 1 64  ? -15.63121 -7.91231  -37.74497 1.000 30.56901  ? 71  ASP A CA  1 
ATOM   449  C C   . ASP A 1 64  ? -15.24795 -9.31266  -37.28728 1.000 30.72430  ? 71  ASP A C   1 
ATOM   450  O O   . ASP A 1 64  ? -16.02772 -10.25119 -37.48588 1.000 31.77042  ? 71  ASP A O   1 
ATOM   451  C CB  . ASP A 1 64  ? -15.34996 -7.76662  -39.24062 1.000 38.07823  ? 71  ASP A CB  1 
ATOM   452  C CG  . ASP A 1 64  ? -15.95724 -6.48901  -39.84734 1.000 44.38881  ? 71  ASP A CG  1 
ATOM   453  O OD1 . ASP A 1 64  ? -16.76981 -5.81647  -39.17671 1.000 40.57883  ? 71  ASP A OD1 1 
ATOM   454  O OD2 . ASP A 1 64  ? -15.63956 -6.16389  -41.01396 1.000 42.39490  ? 71  ASP A OD2 1 
ATOM   455  N N   . SER A 1 65  ? -14.06419 -9.47042  -36.69165 1.000 26.49292  ? 72  SER A N   1 
ATOM   456  C CA  . SER A 1 65  ? -13.58331 -10.73139 -36.14347 1.000 24.71563  ? 72  SER A CA  1 
ATOM   457  C C   . SER A 1 65  ? -14.16700 -11.04599 -34.77259 1.000 33.01944  ? 72  SER A C   1 
ATOM   458  O O   . SER A 1 65  ? -13.75583 -12.02738 -34.14633 1.000 34.36090  ? 72  SER A O   1 
ATOM   459  C CB  . SER A 1 65  ? -12.05077 -10.69232 -36.04853 1.000 26.71595  ? 72  SER A CB  1 
ATOM   460  O OG  . SER A 1 65  ? -11.62510 -9.42973  -35.53710 1.000 24.73304  ? 72  SER A OG  1 
ATOM   461  N N   . GLY A 1 66  ? -15.08716 -10.22343 -34.27821 1.000 29.16175  ? 73  GLY A N   1 
ATOM   462  C CA  . GLY A 1 66  ? -15.71618 -10.46580 -32.99763 1.000 33.30881  ? 73  GLY A CA  1 
ATOM   463  C C   . GLY A 1 66  ? -15.98474 -9.16195  -32.27836 1.000 28.94579  ? 73  GLY A C   1 
ATOM   464  O O   . GLY A 1 66  ? -15.04956 -8.41378  -32.00035 1.000 26.82095  ? 73  GLY A O   1 
ATOM   465  N N   . LYS A 1 67  ? -17.24369 -8.87175  -31.96909 1.000 27.40839  ? 74  LYS A N   1 
ATOM   466  C CA  . LYS A 1 67  ? -17.55815 -7.61341  -31.30744 1.000 24.88134  ? 74  LYS A CA  1 
ATOM   467  C C   . LYS A 1 67  ? -17.43225 -7.66884  -29.78833 1.000 27.22040  ? 74  LYS A C   1 
ATOM   468  O O   . LYS A 1 67  ? -17.30613 -6.61172  -29.16459 1.000 30.09202  ? 74  LYS A O   1 
ATOM   469  C CB  . LYS A 1 67  ? -18.98343 -7.15725  -31.66305 1.000 28.66062  ? 74  LYS A CB  1 
ATOM   470  C CG  . LYS A 1 67  ? -19.08843 -6.36079  -32.94633 1.000 35.46082  ? 74  LYS A CG  1 
ATOM   471  C CD  . LYS A 1 67  ? -20.50600 -6.38680  -33.50167 1.000 55.76966  ? 74  LYS A CD  1 
ATOM   472  C CE  . LYS A 1 67  ? -20.50288 -6.66815  -34.98872 1.000 55.40577  ? 74  LYS A CE  1 
ATOM   473  N NZ  . LYS A 1 67  ? -19.67860 -5.65734  -35.70036 1.000 70.96445  ? 74  LYS A NZ  1 
ATOM   474  N N   . GLU A 1 68  ? -17.47649 -8.85645  -29.18246 1.000 23.73714  ? 75  GLU A N   1 
ATOM   475  C CA  . GLU A 1 68  ? -17.45235 -8.97924  -27.72940 1.000 25.32893  ? 75  GLU A CA  1 
ATOM   476  C C   . GLU A 1 68  ? -16.03808 -8.77932  -27.19546 1.000 22.99079  ? 75  GLU A C   1 
ATOM   477  O O   . GLU A 1 68  ? -15.10213 -9.40505  -27.68592 1.000 24.73409  ? 75  GLU A O   1 
ATOM   478  C CB  . GLU A 1 68  ? -17.94901 -10.35725 -27.29900 1.000 30.50411  ? 75  GLU A CB  1 
ATOM   479  C CG  . GLU A 1 68  ? -19.41042 -10.66636 -27.61783 1.000 38.90578  ? 75  GLU A CG  1 
ATOM   480  C CD  . GLU A 1 68  ? -19.79995 -12.08434 -27.19703 1.000 74.53381  ? 75  GLU A CD  1 
ATOM   481  O OE1 . GLU A 1 68  ? -20.79904 -12.23409 -26.45990 1.000 84.24269  ? 75  GLU A OE1 1 
ATOM   482  O OE2 . GLU A 1 68  ? -19.09813 -13.04961 -27.58236 1.000 63.51575  ? 75  GLU A OE2 1 
ATOM   483  N N   . LEU A 1 69  ? -15.90405 -7.94919  -26.16558 1.000 20.69367  ? 76  LEU A N   1 
ATOM   484  C CA  . LEU A 1 69  ? -14.62291 -7.64652  -25.50085 1.000 18.38162  ? 76  LEU A CA  1 
ATOM   485  C C   . LEU A 1 69  ? -14.69616 -8.18935  -24.07387 1.000 18.41554  ? 76  LEU A C   1 
ATOM   486  O O   . LEU A 1 69  ? -15.35386 -7.59445  -23.20892 1.000 20.62233  ? 76  LEU A O   1 
ATOM   487  C CB  . LEU A 1 69  ? -14.38687 -6.13331  -25.51990 1.000 20.45043  ? 76  LEU A CB  1 
ATOM   488  C CG  . LEU A 1 69  ? -14.28737 -5.52567  -26.93097 1.000 21.91731  ? 76  LEU A CG  1 
ATOM   489  C CD1 . LEU A 1 69  ? -13.97538 -4.02787  -26.81855 1.000 28.10707  ? 76  LEU A CD1 1 
ATOM   490  C CD2 . LEU A 1 69  ? -13.23091 -6.23398  -27.74538 1.000 23.70448  ? 76  LEU A CD2 1 
ATOM   491  N N   . HIS A 1 70  ? -14.05767 -9.34015  -23.84193 1.000 17.01519  ? 77  HIS A N   1 
ATOM   492  C CA  . HIS A 1 70  ? -14.19910 -10.00083 -22.54623 1.000 18.05183  ? 77  HIS A CA  1 
ATOM   493  C C   . HIS A 1 70  ? -12.98951 -10.87020 -22.23040 1.000 19.22169  ? 77  HIS A C   1 
ATOM   494  O O   . HIS A 1 70  ? -12.09686 -11.07836 -23.06114 1.000 17.49439  ? 77  HIS A O   1 
ATOM   495  C CB  . HIS A 1 70  ? -15.48476 -10.84174 -22.50326 1.000 19.51613  ? 77  HIS A CB  1 
ATOM   496  C CG  . HIS A 1 70  ? -15.50530 -11.96029 -23.49630 1.000 22.55970  ? 77  HIS A CG  1 
ATOM   497  N ND1 . HIS A 1 70  ? -16.47125 -12.04645 -24.47444 1.000 29.26907  ? 77  HIS A ND1 1 
ATOM   498  C CD2 . HIS A 1 70  ? -14.68111 -13.01865 -23.68729 1.000 24.71766  ? 77  HIS A CD2 1 
ATOM   499  C CE1 . HIS A 1 70  ? -16.25802 -13.11930 -25.21073 1.000 28.05319  ? 77  HIS A CE1 1 
ATOM   500  N NE2 . HIS A 1 70  ? -15.18079 -13.72913 -24.75840 1.000 25.35244  ? 77  HIS A NE2 1 
ATOM   501  N N   . ILE A 1 71  ? -12.98135 -11.36804 -20.98800 1.000 16.97389  ? 78  ILE A N   1 
ATOM   502  C CA  . ILE A 1 71  ? -11.95279 -12.25382 -20.45648 1.000 13.91916  ? 78  ILE A CA  1 
ATOM   503  C C   . ILE A 1 71  ? -12.64278 -13.45334 -19.81910 1.000 16.81029  ? 78  ILE A C   1 
ATOM   504  O O   . ILE A 1 71  ? -13.52732 -13.26953 -18.96921 1.000 18.51953  ? 78  ILE A O   1 
ATOM   505  C CB  . ILE A 1 71  ? -11.09656 -11.52880 -19.39875 1.000 15.62673  ? 78  ILE A CB  1 
ATOM   506  C CG1 . ILE A 1 71  ? -10.46582 -10.24835 -19.97317 1.000 17.43583  ? 78  ILE A CG1 1 
ATOM   507  C CG2 . ILE A 1 71  ? -10.06254 -12.52651 -18.81483 1.000 16.77879  ? 78  ILE A CG2 1 
ATOM   508  C CD1 . ILE A 1 71  ? -9.71106  -9.39366  -18.92256 1.000 19.41250  ? 78  ILE A CD1 1 
ATOM   509  N N   . ASN A 1 72  ? -12.25687 -14.67060 -20.22966 1.000 15.35497  ? 79  ASN A N   1 
ATOM   510  C CA  . ASN A 1 72  ? -12.78577 -15.89224 -19.64270 1.000 14.84156  ? 79  ASN A CA  1 
ATOM   511  C C   . ASN A 1 72  ? -11.66910 -16.62608 -18.90663 1.000 18.49834  ? 79  ASN A C   1 
ATOM   512  O O   . ASN A 1 72  ? -10.54377 -16.73490 -19.39712 1.000 17.39674  ? 79  ASN A O   1 
ATOM   513  C CB  . ASN A 1 72  ? -13.40844 -16.81706 -20.70215 1.000 16.62117  ? 79  ASN A CB  1 
ATOM   514  C CG  . ASN A 1 72  ? -14.60702 -16.21167 -21.35685 1.000 16.34994  ? 79  ASN A CG  1 
ATOM   515  O OD1 . ASN A 1 72  ? -15.36924 -15.46489 -20.73431 1.000 20.75176  ? 79  ASN A OD1 1 
ATOM   516  N ND2 . ASN A 1 72  ? -14.81770 -16.55138 -22.63722 1.000 21.49700  ? 79  ASN A ND2 1 
ATOM   517  N N   . LEU A 1 73  ? -11.99439 -17.17005 -17.73896 1.000 15.87378  ? 80  LEU A N   1 
ATOM   518  C CA  . LEU A 1 73  ? -11.05608 -17.98439 -16.97905 1.000 13.56879  ? 80  LEU A CA  1 
ATOM   519  C C   . LEU A 1 73  ? -11.62009 -19.39751 -16.95944 1.000 14.24653  ? 80  LEU A C   1 
ATOM   520  O O   . LEU A 1 73  ? -12.74224 -19.60633 -16.48277 1.000 16.11189  ? 80  LEU A O   1 
ATOM   521  C CB  . LEU A 1 73  ? -10.88972 -17.46248 -15.55750 1.000 14.35580  ? 80  LEU A CB  1 
ATOM   522  C CG  . LEU A 1 73  ? -10.53659 -15.98145 -15.42458 1.000 17.82566  ? 80  LEU A CG  1 
ATOM   523  C CD1 . LEU A 1 73  ? -10.47038 -15.62154 -13.94953 1.000 17.50517  ? 80  LEU A CD1 1 
ATOM   524  C CD2 . LEU A 1 73  ? -9.22997  -15.68460 -16.13936 1.000 17.70194  ? 80  LEU A CD2 1 
ATOM   525  N N   . ILE A 1 74  ? -10.86355 -20.35238 -17.49118 1.000 16.03078  ? 81  ILE A N   1 
ATOM   526  C CA  . ILE A 1 74  ? -11.35816 -21.70550 -17.71301 1.000 17.94363  ? 81  ILE A CA  1 
ATOM   527  C C   . ILE A 1 74  ? -10.43898 -22.69520 -17.00197 1.000 18.44833  ? 81  ILE A C   1 
ATOM   528  O O   . ILE A 1 74  ? -9.42594  -23.11807 -17.54574 1.000 18.05251  ? 81  ILE A O   1 
ATOM   529  C CB  . ILE A 1 74  ? -11.44994 -22.03644 -19.21634 1.000 20.70000  ? 81  ILE A CB  1 
ATOM   530  C CG1 . ILE A 1 74  ? -12.22733 -20.93156 -19.91016 1.000 20.09280  ? 81  ILE A CG1 1 
ATOM   531  C CG2 . ILE A 1 74  ? -12.08719 -23.39604 -19.40520 1.000 18.98713  ? 81  ILE A CG2 1 
ATOM   532  C CD1 . ILE A 1 74  ? -12.38730 -21.11874 -21.40219 1.000 20.01879  ? 81  ILE A CD1 1 
ATOM   533  N N   . PRO A 1 75  ? -10.81686 -23.13895 -15.80649 1.000 21.42804  ? 82  PRO A N   1 
ATOM   534  C CA  . PRO A 1 75  ? -10.07737 -24.22286 -15.15611 1.000 19.80183  ? 82  PRO A CA  1 
ATOM   535  C C   . PRO A 1 75  ? -10.51892 -25.58012 -15.68792 1.000 19.69096  ? 82  PRO A C   1 
ATOM   536  O O   . PRO A 1 75  ? -11.68004 -25.79889 -16.03916 1.000 23.08748  ? 82  PRO A O   1 
ATOM   537  C CB  . PRO A 1 75  ? -10.45482 -24.05865 -13.67912 1.000 18.98423  ? 82  PRO A CB  1 
ATOM   538  C CG  . PRO A 1 75  ? -11.84565 -23.51758 -13.71527 1.000 22.72877  ? 82  PRO A CG  1 
ATOM   539  C CD  . PRO A 1 75  ? -11.97653 -22.70412 -15.00805 1.000 20.93614  ? 82  PRO A CD  1 
ATOM   540  N N   . ASN A 1 76  ? -9.56027  -26.49636 -15.76253 1.000 19.62395  ? 83  ASN A N   1 
ATOM   541  C CA  . ASN A 1 76  ? -9.82893  -27.87659 -16.18348 1.000 18.65193  ? 83  ASN A CA  1 
ATOM   542  C C   . ASN A 1 76  ? -8.99959  -28.80641 -15.30050 1.000 21.22304  ? 83  ASN A C   1 
ATOM   543  O O   . ASN A 1 76  ? -7.80186  -28.98117 -15.52683 1.000 25.39706  ? 83  ASN A O   1 
ATOM   544  C CB  . ASN A 1 76  ? -9.51565  -28.06267 -17.66481 1.000 23.50790  ? 83  ASN A CB  1 
ATOM   545  C CG  . ASN A 1 76  ? -9.95447  -29.42184 -18.19422 1.000 30.60862  ? 83  ASN A CG  1 
ATOM   546  O OD1 . ASN A 1 76  ? -9.77062  -30.45820 -17.54328 1.000 32.06845  ? 83  ASN A OD1 1 
ATOM   547  N ND2 . ASN A 1 76  ? -10.56518 -29.41776 -19.36175 1.000 35.42663  ? 83  ASN A ND2 1 
ATOM   548  N N   . LYS A 1 77  ? -9.64820  -29.44147 -14.31907 1.000 23.68407  ? 84  LYS A N   1 
ATOM   549  C CA  . LYS A 1 77  ? -8.90212  -30.28959 -13.38926 1.000 24.55582  ? 84  LYS A CA  1 
ATOM   550  C C   . LYS A 1 77  ? -8.45160  -31.60559 -14.01535 1.000 29.59618  ? 84  LYS A C   1 
ATOM   551  O O   . LYS A 1 77  ? -7.50707  -32.21586 -13.50823 1.000 31.76785  ? 84  LYS A O   1 
ATOM   552  C CB  . LYS A 1 77  ? -9.72339  -30.59309 -12.13350 1.000 31.80555  ? 84  LYS A CB  1 
ATOM   553  C CG  . LYS A 1 77  ? -9.94003  -29.38659 -11.22729 1.000 30.68496  ? 84  LYS A CG  1 
ATOM   554  C CD  . LYS A 1 77  ? -10.71657 -29.78517 -9.97552  1.000 37.91710  ? 84  LYS A CD  1 
ATOM   555  C CE  . LYS A 1 77  ? -11.12875 -28.56744 -9.14703  1.000 35.46871  ? 84  LYS A CE  1 
ATOM   556  N NZ  . LYS A 1 77  ? -12.17587 -27.77419 -9.84603  1.000 40.66185  ? 84  LYS A NZ  1 
ATOM   557  N N   . GLN A 1 78  ? -9.10646  -32.06582 -15.08913 1.000 34.60973  ? 85  GLN A N   1 
ATOM   558  C CA  . GLN A 1 78  ? -8.69358  -33.32015 -15.71940 1.000 37.83539  ? 85  GLN A CA  1 
ATOM   559  C C   . GLN A 1 78  ? -7.38241  -33.15110 -16.47580 1.000 38.36219  ? 85  GLN A C   1 
ATOM   560  O O   . GLN A 1 78  ? -6.49929  -34.01462 -16.40150 1.000 40.24005  ? 85  GLN A O   1 
ATOM   561  C CB  . GLN A 1 78  ? -9.79016  -33.82314 -16.65618 1.000 36.20188  ? 85  GLN A CB  1 
ATOM   562  C CG  . GLN A 1 78  ? -10.53026 -35.04853 -16.14710 1.000 55.07675  ? 85  GLN A CG  1 
ATOM   563  C CD  . GLN A 1 78  ? -11.38572 -34.74909 -14.93175 1.000 70.10582  ? 85  GLN A CD  1 
ATOM   564  O OE1 . GLN A 1 78  ? -11.96853 -33.66728 -14.81429 1.000 68.91170  ? 85  GLN A OE1 1 
ATOM   565  N NE2 . GLN A 1 78  ? -11.47510 -35.71493 -14.02167 1.000 71.49115  ? 85  GLN A NE2 1 
ATOM   566  N N   . ASP A 1 79  ? -7.24773  -32.04797 -17.20391 1.000 31.67435  ? 86  ASP A N   1 
ATOM   567  C CA  . ASP A 1 79  ? -6.03980  -31.68971 -17.93326 1.000 30.64747  ? 86  ASP A CA  1 
ATOM   568  C C   . ASP A 1 79  ? -5.02417  -30.97528 -17.05163 1.000 28.28490  ? 86  ASP A C   1 
ATOM   569  O O   . ASP A 1 79  ? -3.87570  -30.82531 -17.47061 1.000 29.94975  ? 86  ASP A O   1 
ATOM   570  C CB  . ASP A 1 79  ? -6.36774  -30.76408 -19.11154 1.000 34.98935  ? 86  ASP A CB  1 
ATOM   571  C CG  . ASP A 1 79  ? -7.30213  -31.39100 -20.13066 1.000 45.18050  ? 86  ASP A CG  1 
ATOM   572  O OD1 . ASP A 1 79  ? -7.55631  -32.61119 -20.06243 1.000 42.74324  ? 86  ASP A OD1 1 
ATOM   573  O OD2 . ASP A 1 79  ? -7.78485  -30.63794 -21.00761 1.000 42.87598  ? 86  ASP A OD2 1 
ATOM   574  N N   . ARG A 1 80  ? -5.42823  -30.54574 -15.85490 1.000 24.87434  ? 87  ARG A N   1 
ATOM   575  C CA  . ARG A 1 80  ? -4.62475  -29.70177 -14.95960 1.000 21.68414  ? 87  ARG A CA  1 
ATOM   576  C C   . ARG A 1 80  ? -4.15730  -28.42347 -15.65422 1.000 24.00192  ? 87  ARG A C   1 
ATOM   577  O O   . ARG A 1 80  ? -2.97241  -28.07201 -15.62615 1.000 22.64274  ? 87  ARG A O   1 
ATOM   578  C CB  . ARG A 1 80  ? -3.43273  -30.46097 -14.37961 1.000 25.91810  ? 87  ARG A CB  1 
ATOM   579  C CG  . ARG A 1 80  ? -3.00848  -29.91857 -13.04048 1.000 25.63461  ? 87  ARG A CG  1 
ATOM   580  C CD  . ARG A 1 80  ? -1.53949  -30.09471 -12.76144 1.000 41.28451  ? 87  ARG A CD  1 
ATOM   581  N NE  . ARG A 1 80  ? -1.22712  -31.44951 -12.35262 1.000 43.90090  ? 87  ARG A NE  1 
ATOM   582  C CZ  . ARG A 1 80  ? -0.04552  -32.03246 -12.51358 1.000 52.11714  ? 87  ARG A CZ  1 
ATOM   583  N NH1 . ARG A 1 80  ? 0.98724   -31.38494 -13.03503 1.000 38.78931  ? 87  ARG A NH1 1 
ATOM   584  N NH2 . ARG A 1 80  ? 0.10990   -33.29046 -12.12391 1.000 48.13044  ? 87  ARG A NH2 1 
ATOM   585  N N   . THR A 1 81  ? -5.09556  -27.71989 -16.27940 1.000 20.99538  ? 88  THR A N   1 
ATOM   586  C CA  . THR A 1 81  ? -4.78820  -26.46934 -16.96081 1.000 20.05988  ? 88  THR A CA  1 
ATOM   587  C C   . THR A 1 81  ? -5.71547  -25.36828 -16.47916 1.000 21.22730  ? 88  THR A C   1 
ATOM   588  O O   . THR A 1 81  ? -6.87404  -25.60935 -16.14262 1.000 19.48092  ? 88  THR A O   1 
ATOM   589  C CB  . THR A 1 81  ? -4.90810  -26.57822 -18.48500 1.000 21.82288  ? 88  THR A CB  1 
ATOM   590  O OG1 . THR A 1 81  ? -6.24341  -26.99670 -18.84526 1.000 21.44782  ? 88  THR A OG1 1 
ATOM   591  C CG2 . THR A 1 81  ? -3.88451  -27.58171 -19.03197 1.000 20.68277  ? 88  THR A CG2 1 
ATOM   592  N N   . LEU A 1 82  ? -5.18263  -24.15229 -16.45131 1.000 17.00258  ? 89  LEU A N   1 
ATOM   593  C CA  . LEU A 1 82  ? -5.97183  -22.93937 -16.28019 1.000 16.99703  ? 89  LEU A CA  1 
ATOM   594  C C   . LEU A 1 82  ? -5.77276  -22.11385 -17.53482 1.000 19.82944  ? 89  LEU A C   1 
ATOM   595  O O   . LEU A 1 82  ? -4.63348  -21.80589 -17.89120 1.000 17.89438  ? 89  LEU A O   1 
ATOM   596  C CB  . LEU A 1 82  ? -5.53109  -22.14878 -15.05240 1.000 18.68949  ? 89  LEU A CB  1 
ATOM   597  C CG  . LEU A 1 82  ? -6.20500  -20.78453 -14.85519 1.000 15.14990  ? 89  LEU A CG  1 
ATOM   598  C CD1 . LEU A 1 82  ? -7.69895  -21.02144 -14.69327 1.000 20.02603  ? 89  LEU A CD1 1 
ATOM   599  C CD2 . LEU A 1 82  ? -5.63954  -20.12994 -13.60669 1.000 19.09513  ? 89  LEU A CD2 1 
ATOM   600  N N   . THR A 1 83  ? -6.85687  -21.78918 -18.21954 1.000 16.00106  ? 90  THR A N   1 
ATOM   601  C CA  . THR A 1 83  ? -6.76280  -21.06471 -19.48097 1.000 16.88358  ? 90  THR A CA  1 
ATOM   602  C C   . THR A 1 83  ? -7.36342  -19.67551 -19.28981 1.000 17.53597  ? 90  THR A C   1 
ATOM   603  O O   . THR A 1 83  ? -8.45222  -19.53874 -18.71139 1.000 18.67458  ? 90  THR A O   1 
ATOM   604  C CB  . THR A 1 83  ? -7.48667  -21.81804 -20.59775 1.000 17.88038  ? 90  THR A CB  1 
ATOM   605  O OG1 . THR A 1 83  ? -6.91133  -23.12152 -20.79878 1.000 20.66820  ? 90  THR A OG1 1 
ATOM   606  C CG2 . THR A 1 83  ? -7.43450  -21.01907 -21.89073 1.000 21.94628  ? 90  THR A CG2 1 
ATOM   607  N N   . ILE A 1 84  ? -6.63409  -18.64929 -19.72363 1.000 15.65255  ? 91  ILE A N   1 
ATOM   608  C CA  . ILE A 1 84  ? -7.08937  -17.26000 -19.67402 1.000 15.76140  ? 91  ILE A CA  1 
ATOM   609  C C   . ILE A 1 84  ? -7.33056  -16.82321 -21.11748 1.000 18.57060  ? 91  ILE A C   1 
ATOM   610  O O   . ILE A 1 84  ? -6.38193  -16.73469 -21.90719 1.000 18.32304  ? 91  ILE A O   1 
ATOM   611  C CB  . ILE A 1 84  ? -6.06850  -16.35234 -18.97114 1.000 17.77329  ? 91  ILE A CB  1 
ATOM   612  C CG1 . ILE A 1 84  ? -5.88299  -16.79155 -17.49896 1.000 23.81025  ? 91  ILE A CG1 1 
ATOM   613  C CG2 . ILE A 1 84  ? -6.56869  -14.89102 -19.01176 1.000 18.19375  ? 91  ILE A CG2 1 
ATOM   614  C CD1 . ILE A 1 84  ? -4.65843  -17.62481 -17.20534 1.000 28.33603  ? 91  ILE A CD1 1 
ATOM   615  N N   . VAL A 1 85  ? -8.59742  -16.57283 -21.48503 1.000 14.89473  ? 92  VAL A N   1 
ATOM   616  C CA  . VAL A 1 85  ? -8.97361  -16.24013 -22.85574 1.000 16.14378  ? 92  VAL A CA  1 
ATOM   617  C C   . VAL A 1 85  ? -9.34676  -14.77355 -22.89749 1.000 19.61598  ? 92  VAL A C   1 
ATOM   618  O O   . VAL A 1 85  ? -10.13413 -14.32201 -22.06202 1.000 18.07776  ? 92  VAL A O   1 
ATOM   619  C CB  . VAL A 1 85  ? -10.17824 -17.06448 -23.34793 1.000 18.10703  ? 92  VAL A CB  1 
ATOM   620  C CG1 . VAL A 1 85  ? -10.44160 -16.79638 -24.83503 1.000 22.48863  ? 92  VAL A CG1 1 
ATOM   621  C CG2 . VAL A 1 85  ? -9.99931  -18.54255 -23.05502 1.000 21.66598  ? 92  VAL A CG2 1 
ATOM   622  N N   . ASP A 1 86  ? -8.82650  -14.03467 -23.88243 1.000 16.48863  ? 93  ASP A N   1 
ATOM   623  C CA  . ASP A 1 86  ? -9.35023  -12.69077 -24.10851 1.000 16.96279  ? 93  ASP A CA  1 
ATOM   624  C C   . ASP A 1 86  ? -9.62793  -12.50392 -25.58703 1.000 18.38746  ? 93  ASP A C   1 
ATOM   625  O O   . ASP A 1 86  ? -9.09997  -13.22293 -26.43954 1.000 18.43392  ? 93  ASP A O   1 
ATOM   626  C CB  . ASP A 1 86  ? -8.39697  -11.60289 -23.58826 1.000 17.14073  ? 93  ASP A CB  1 
ATOM   627  C CG  . ASP A 1 86  ? -7.09930  -11.50918 -24.39645 1.000 20.64667  ? 93  ASP A CG  1 
ATOM   628  O OD1 . ASP A 1 86  ? -7.13302  -11.08209 -25.57584 1.000 18.77500  ? 93  ASP A OD1 1 
ATOM   629  O OD2 . ASP A 1 86  ? -6.02142  -11.83579 -23.82824 1.000 20.20892  ? 93  ASP A OD2 1 
ATOM   630  N N   . THR A 1 87  ? -10.50724 -11.56655 -25.88628 1.000 15.62733  ? 94  THR A N   1 
ATOM   631  C CA  . THR A 1 87  ? -10.80838 -11.22605 -27.27342 1.000 15.51601  ? 94  THR A CA  1 
ATOM   632  C C   . THR A 1 87  ? -10.17631 -9.89544  -27.65840 1.000 17.87125  ? 94  THR A C   1 
ATOM   633  O O   . THR A 1 87  ? -10.76467 -9.08198  -28.37168 1.000 18.07475  ? 94  THR A O   1 
ATOM   634  C CB  . THR A 1 87  ? -12.31442 -11.20661 -27.49842 1.000 18.71754  ? 94  THR A CB  1 
ATOM   635  O OG1 . THR A 1 87  ? -12.99791 -10.36977 -26.52824 1.000 18.32558  ? 94  THR A OG1 1 
ATOM   636  C CG2 . THR A 1 87  ? -12.88188 -12.63565 -27.40652 1.000 20.03108  ? 94  THR A CG2 1 
ATOM   637  N N   . GLY A 1 88  ? -8.97016  -9.65863  -27.16777 1.000 17.33185  ? 95  GLY A N   1 
ATOM   638  C CA  . GLY A 1 88  ? -8.26889  -8.43390  -27.48302 1.000 19.51794  ? 95  GLY A CA  1 
ATOM   639  C C   . GLY A 1 88  ? -7.65183  -8.46613  -28.86494 1.000 19.68162  ? 95  GLY A C   1 
ATOM   640  O O   . GLY A 1 88  ? -8.03853  -9.24327  -29.74552 1.000 18.58213  ? 95  GLY A O   1 
ATOM   641  N N   . ILE A 1 89  ? -6.64953  -7.60781  -29.04932 1.000 15.39520  ? 96  ILE A N   1 
ATOM   642  C CA  . ILE A 1 89  ? -6.12704  -7.39571  -30.40065 1.000 15.91336  ? 96  ILE A CA  1 
ATOM   643  C C   . ILE A 1 89  ? -5.33955  -8.59158  -30.90955 1.000 19.20328  ? 96  ILE A C   1 
ATOM   644  O O   . ILE A 1 89  ? -5.17383  -8.73834  -32.12519 1.000 19.65638  ? 96  ILE A O   1 
ATOM   645  C CB  . ILE A 1 89  ? -5.29410  -6.09298  -30.43411 1.000 19.27562  ? 96  ILE A CB  1 
ATOM   646  C CG1 . ILE A 1 89  ? -5.01939  -5.64550  -31.88084 1.000 19.55439  ? 96  ILE A CG1 1 
ATOM   647  C CG2 . ILE A 1 89  ? -3.99818  -6.24740  -29.62435 1.000 19.01544  ? 96  ILE A CG2 1 
ATOM   648  C CD1 . ILE A 1 89  ? -4.49968  -4.23527  -31.94304 1.000 24.37865  ? 96  ILE A CD1 1 
ATOM   649  N N   . GLY A 1 90  ? -4.87919  -9.48486  -30.01528 1.000 17.47300  ? 97  GLY A N   1 
ATOM   650  C CA  . GLY A 1 90  ? -4.08856  -10.62460 -30.44681 1.000 18.30048  ? 97  GLY A CA  1 
ATOM   651  C C   . GLY A 1 90  ? -2.67133  -10.24280 -30.82091 1.000 16.94390  ? 97  GLY A C   1 
ATOM   652  O O   . GLY A 1 90  ? -2.21258  -9.09675  -30.67011 1.000 19.04494  ? 97  GLY A O   1 
ATOM   653  N N   . MET A 1 91  ? -1.93329  -11.25498 -31.25152 1.000 16.32609  ? 98  MET A N   1 
ATOM   654  C CA  . MET A 1 91  ? -0.56394  -11.03035 -31.69645 1.000 18.31989  ? 98  MET A CA  1 
ATOM   655  C C   . MET A 1 91  ? -0.27457  -11.70759 -33.02545 1.000 17.93187  ? 98  MET A C   1 
ATOM   656  O O   . MET A 1 91  ? -0.74029  -12.81358 -33.29868 1.000 19.47365  ? 98  MET A O   1 
ATOM   657  C CB  . MET A 1 91  ? 0.54391   -11.46370 -30.67844 1.000 22.74456  ? 98  MET A CB  1 
ATOM   658  C CG  . MET A 1 91  ? 0.42208   -10.97407 -29.24568 1.000 21.23722  ? 98  MET A CG  1 
ATOM   659  S SD  . MET A 1 91  ? 1.41877   -11.87627 -28.04464 1.000 20.80089  ? 98  MET A SD  1 
ATOM   660  C CE  . MET A 1 91  ? 0.25590   -13.13691 -27.54200 1.000 21.42608  ? 98  MET A CE  1 
ATOM   661  N N   . THR A 1 92  ? 0.52850   -11.03140 -33.84637 1.000 17.79197  ? 99  THR A N   1 
ATOM   662  C CA  . THR A 1 92  ? 1.06301   -11.61386 -35.07134 1.000 20.19219  ? 99  THR A CA  1 
ATOM   663  C C   . THR A 1 92  ? 2.16239   -12.63092 -34.74951 1.000 24.17706  ? 99  THR A C   1 
ATOM   664  O O   . THR A 1 92  ? 2.64366   -12.73645 -33.61619 1.000 22.86616  ? 99  THR A O   1 
ATOM   665  C CB  . THR A 1 92  ? 1.66705   -10.53489 -35.96493 1.000 22.64293  ? 99  THR A CB  1 
ATOM   666  O OG1 . THR A 1 92  ? 2.79627   -9.95710  -35.28486 1.000 24.26129  ? 99  THR A OG1 1 
ATOM   667  C CG2 . THR A 1 92  ? 0.64371   -9.44839  -36.28738 1.000 22.57378  ? 99  THR A CG2 1 
ATOM   668  N N   . LYS A 1 93  ? 2.55516   -13.39580 -35.76859 1.000 20.92987  ? 100 LYS A N   1 
ATOM   669  C CA  . LYS A 1 93  ? 3.68337   -14.30513 -35.59390 1.000 20.16832  ? 100 LYS A CA  1 
ATOM   670  C C   . LYS A 1 93  ? 4.92056   -13.53777 -35.15339 1.000 20.48472  ? 100 LYS A C   1 
ATOM   671  O O   . LYS A 1 93  ? 5.65457   -13.98130 -34.26208 1.000 19.74730  ? 100 LYS A O   1 
ATOM   672  C CB  . LYS A 1 93  ? 3.96886   -15.05960 -36.89410 1.000 21.83859  ? 100 LYS A CB  1 
ATOM   673  C CG  . LYS A 1 93  ? 5.00776   -16.16957 -36.69946 1.000 21.67841  ? 100 LYS A CG  1 
ATOM   674  C CD  . LYS A 1 93  ? 5.39732   -16.81129 -38.04807 1.000 26.35093  ? 100 LYS A CD  1 
ATOM   675  C CE  . LYS A 1 93  ? 6.34287   -17.99450 -37.83489 1.000 32.41912  ? 100 LYS A CE  1 
ATOM   676  N NZ  . LYS A 1 93  ? 7.03979   -18.39703 -39.07768 1.000 32.59468  ? 100 LYS A NZ  1 
ATOM   677  N N   . ALA A 1 94  ? 5.16788   -12.38028 -35.77609 1.000 22.50553  ? 101 ALA A N   1 
ATOM   678  C CA  . ALA A 1 94  ? 6.33377   -11.58479 -35.40640 1.000 26.73802  ? 101 ALA A CA  1 
ATOM   679  C C   . ALA A 1 94  ? 6.25502   -11.13745 -33.95438 1.000 23.83346  ? 101 ALA A C   1 
ATOM   680  O O   . ALA A 1 94  ? 7.26612   -11.14277 -33.24213 1.000 24.97450  ? 101 ALA A O   1 
ATOM   681  C CB  . ALA A 1 94  ? 6.46888   -10.37425 -36.32760 1.000 27.16669  ? 101 ALA A CB  1 
ATOM   682  N N   . ASP A 1 95  ? 5.05819   -10.74464 -33.49827 1.000 20.61198  ? 102 ASP A N   1 
ATOM   683  C CA  . ASP A 1 95  ? 4.87471   -10.38079 -32.08984 1.000 19.52662  ? 102 ASP A CA  1 
ATOM   684  C C   . ASP A 1 95  ? 5.21809   -11.54517 -31.17058 1.000 19.31969  ? 102 ASP A C   1 
ATOM   685  O O   . ASP A 1 95  ? 5.87957   -11.37194 -30.13904 1.000 19.54769  ? 102 ASP A O   1 
ATOM   686  C CB  . ASP A 1 95  ? 3.41535   -9.98478  -31.84552 1.000 22.30323  ? 102 ASP A CB  1 
ATOM   687  C CG  . ASP A 1 95  ? 3.04835   -8.60132  -32.36566 1.000 28.10715  ? 102 ASP A CG  1 
ATOM   688  O OD1 . ASP A 1 95  ? 3.92671   -7.72063  -32.53549 1.000 28.78751  ? 102 ASP A OD1 1 
ATOM   689  O OD2 . ASP A 1 95  ? 1.83269   -8.42441  -32.64439 1.000 28.56240  ? 102 ASP A OD2 1 
ATOM   690  N N   . LEU A 1 96  ? 4.73134   -12.74386 -31.49715 1.000 18.58008  ? 103 LEU A N   1 
ATOM   691  C CA  . LEU A 1 96  ? 5.01955   -13.89449 -30.64537 1.000 20.93005  ? 103 LEU A CA  1 
ATOM   692  C C   . LEU A 1 96  ? 6.51414   -14.09949 -30.49590 1.000 19.83296  ? 103 LEU A C   1 
ATOM   693  O O   . LEU A 1 96  ? 7.02388   -14.27758 -29.38041 1.000 19.28539  ? 103 LEU A O   1 
ATOM   694  C CB  . LEU A 1 96  ? 4.40184   -15.16497 -31.22419 1.000 20.60813  ? 103 LEU A CB  1 
ATOM   695  C CG  . LEU A 1 96  ? 2.91757   -15.31157 -31.04584 1.000 19.69470  ? 103 LEU A CG  1 
ATOM   696  C CD1 . LEU A 1 96  ? 2.49794   -16.56424 -31.81119 1.000 19.94088  ? 103 LEU A CD1 1 
ATOM   697  C CD2 . LEU A 1 96  ? 2.58643   -15.43523 -29.55140 1.000 18.18645  ? 103 LEU A CD2 1 
ATOM   698  N N   . ILE A 1 97  ? 7.23194   -14.08438 -31.62162 1.000 18.14965  ? 104 ILE A N   1 
ATOM   699  C CA  . ILE A 1 97  ? 8.66401   -14.34842 -31.60831 1.000 18.59982  ? 104 ILE A CA  1 
ATOM   700  C C   . ILE A 1 97  ? 9.40524   -13.24902 -30.85544 1.000 18.60287  ? 104 ILE A C   1 
ATOM   701  O O   . ILE A 1 97  ? 10.35953  -13.52028 -30.11584 1.000 20.35603  ? 104 ILE A O   1 
ATOM   702  C CB  . ILE A 1 97  ? 9.17762   -14.50858 -33.05174 1.000 21.07588  ? 104 ILE A CB  1 
ATOM   703  C CG1 . ILE A 1 97  ? 8.53749   -15.74037 -33.67563 1.000 20.85878  ? 104 ILE A CG1 1 
ATOM   704  C CG2 . ILE A 1 97  ? 10.69173  -14.64457 -33.07446 1.000 22.85314  ? 104 ILE A CG2 1 
ATOM   705  C CD1 . ILE A 1 97  ? 8.76430   -15.84870 -35.20665 1.000 24.71192  ? 104 ILE A CD1 1 
ATOM   706  N N   . ASN A 1 98  ? 8.94299   -12.00658 -30.97974 1.000 18.49461  ? 105 ASN A N   1 
ATOM   707  C CA  . ASN A 1 98  ? 9.55147   -10.87017 -30.29853 1.000 23.19047  ? 105 ASN A CA  1 
ATOM   708  C C   . ASN A 1 98  ? 9.00039   -10.76185 -28.86923 1.000 21.18965  ? 105 ASN A C   1 
ATOM   709  O O   . ASN A 1 98  ? 8.40251   -9.76581  -28.46940 1.000 21.16000  ? 105 ASN A O   1 
ATOM   710  C CB  . ASN A 1 98  ? 9.29186   -9.59888  -31.10064 1.000 22.66278  ? 105 ASN A CB  1 
ATOM   711  C CG  . ASN A 1 98  ? 10.37236  -9.34604  -32.12391 1.000 33.74046  ? 105 ASN A CG  1 
ATOM   712  O OD1 . ASN A 1 98  ? 11.46184  -8.87121  -31.80566 1.000 46.41199  ? 105 ASN A OD1 1 
ATOM   713  N ND2 . ASN A 1 98  ? 10.08168  -9.70401  -33.37418 1.000 51.08999  ? 105 ASN A ND2 1 
ATOM   714  N N   . ASN A 1 99  ? 9.19230   -11.84434 -28.10903 1.000 18.74978  ? 106 ASN A N   1 
ATOM   715  C CA  . ASN A 1 99  ? 8.83323   -11.91833 -26.68671 1.000 19.20404  ? 106 ASN A CA  1 
ATOM   716  C C   . ASN A 1 99  ? 7.38150   -11.52323 -26.40595 1.000 20.86276  ? 106 ASN A C   1 
ATOM   717  O O   . ASN A 1 99  ? 7.08959   -10.76330 -25.48049 1.000 18.76196  ? 106 ASN A O   1 
ATOM   718  C CB  . ASN A 1 99  ? 9.79564   -11.07204 -25.86562 1.000 20.23859  ? 106 ASN A CB  1 
ATOM   719  C CG  . ASN A 1 99  ? 11.22487  -11.54078 -26.04933 1.000 17.49381  ? 106 ASN A CG  1 
ATOM   720  O OD1 . ASN A 1 99  ? 11.50816  -12.73097 -25.91217 1.000 22.51395  ? 106 ASN A OD1 1 
ATOM   721  N ND2 . ASN A 1 99  ? 12.12184  -10.62265 -26.37925 1.000 20.55151  ? 106 ASN A ND2 1 
ATOM   722  N N   . LEU A 1 100 ? 6.46505   -12.09530 -27.17858 1.000 18.21923  ? 107 LEU A N   1 
ATOM   723  C CA  . LEU A 1 100 ? 5.02325   -11.91591 -26.97176 1.000 20.34806  ? 107 LEU A CA  1 
ATOM   724  C C   . LEU A 1 100 ? 4.65066   -10.42893 -26.90971 1.000 18.34999  ? 107 LEU A C   1 
ATOM   725  O O   . LEU A 1 100 ? 3.87032   -9.97343  -26.06486 1.000 21.41923  ? 107 LEU A O   1 
ATOM   726  C CB  . LEU A 1 100 ? 4.54867   -12.66632 -25.72135 1.000 18.90595  ? 107 LEU A CB  1 
ATOM   727  C CG  . LEU A 1 100 ? 4.92341   -14.15050 -25.93022 1.000 24.94261  ? 107 LEU A CG  1 
ATOM   728  C CD1 . LEU A 1 100 ? 6.05303   -14.58771 -25.00654 1.000 23.03861  ? 107 LEU A CD1 1 
ATOM   729  C CD2 . LEU A 1 100 ? 3.75803   -15.07895 -25.87972 1.000 30.84139  ? 107 LEU A CD2 1 
ATOM   730  N N   . GLY A 1 101 ? 5.23104   -9.65920  -27.83104 1.000 18.61902  ? 108 GLY A N   1 
ATOM   731  C CA  . GLY A 1 101 ? 4.84653   -8.26478  -27.96436 1.000 20.33725  ? 108 GLY A CA  1 
ATOM   732  C C   . GLY A 1 101 ? 5.37805   -7.33462  -26.89692 1.000 22.89314  ? 108 GLY A C   1 
ATOM   733  O O   . GLY A 1 101 ? 4.83720   -6.23264  -26.72684 1.000 25.24304  ? 108 GLY A O   1 
ATOM   734  N N   . THR A 1 102 ? 6.41860   -7.74022  -26.16783 1.000 19.07928  ? 109 THR A N   1 
ATOM   735  C CA  . THR A 1 102 ? 6.97374   -6.95931  -25.07514 1.000 19.00472  ? 109 THR A CA  1 
ATOM   736  C C   . THR A 1 102 ? 8.34353   -6.43824  -25.47094 1.000 21.45411  ? 109 THR A C   1 
ATOM   737  O O   . THR A 1 102 ? 8.95632   -6.92617  -26.42483 1.000 24.11359  ? 109 THR A O   1 
ATOM   738  C CB  . THR A 1 102 ? 7.11604   -7.78866  -23.79304 1.000 21.38823  ? 109 THR A CB  1 
ATOM   739  O OG1 . THR A 1 102 ? 8.13012   -8.78631  -23.99616 1.000 21.10699  ? 109 THR A OG1 1 
ATOM   740  C CG2 . THR A 1 102 ? 5.81339   -8.46343  -23.43607 1.000 25.04636  ? 109 THR A CG2 1 
ATOM   741  N N   . ILE A 1 103 ? 8.81899   -5.44481  -24.72657 1.000 19.54617  ? 110 ILE A N   1 
ATOM   742  C CA  . ILE A 1 103 ? 10.21405  -5.03360  -24.83291 1.000 20.10934  ? 110 ILE A CA  1 
ATOM   743  C C   . ILE A 1 103 ? 10.97136  -5.74764  -23.72640 1.000 21.28740  ? 110 ILE A C   1 
ATOM   744  O O   . ILE A 1 103 ? 11.53483  -5.12957  -22.81126 1.000 20.02508  ? 110 ILE A O   1 
ATOM   745  C CB  . ILE A 1 103 ? 10.37658  -3.50371  -24.79779 1.000 24.98690  ? 110 ILE A CB  1 
ATOM   746  C CG1 . ILE A 1 103 ? 9.64647   -2.85954  -23.62220 1.000 23.62423  ? 110 ILE A CG1 1 
ATOM   747  C CG2 . ILE A 1 103 ? 9.85327   -2.91788  -26.11347 1.000 25.65360  ? 110 ILE A CG2 1 
ATOM   748  C CD1 . ILE A 1 103 ? 10.07244  -1.39456  -23.40891 1.000 31.50592  ? 110 ILE A CD1 1 
ATOM   749  N N   . ALA A 1 104 ? 11.00802  -7.07363  -23.82133 1.000 19.64912  ? 111 ALA A N   1 
ATOM   750  C CA  . ALA A 1 104 ? 11.40224  -7.86444  -22.66846 1.000 17.42606  ? 111 ALA A CA  1 
ATOM   751  C C   . ALA A 1 104 ? 12.87412  -7.70330  -22.31587 1.000 20.47566  ? 111 ALA A C   1 
ATOM   752  O O   . ALA A 1 104 ? 13.22403  -7.86512  -21.14390 1.000 21.17631  ? 111 ALA A O   1 
ATOM   753  C CB  . ALA A 1 104 ? 11.07841  -9.34385  -22.89718 1.000 23.22533  ? 111 ALA A CB  1 
ATOM   754  N N   . LYS A 1 105 ? 13.74767  -7.41602  -23.28724 1.000 21.16860  ? 112 LYS A N   1 
ATOM   755  C CA  . LYS A 1 105 ? 15.15884  -7.24273  -22.93586 1.000 24.37884  ? 112 LYS A CA  1 
ATOM   756  C C   . LYS A 1 105 ? 15.35051  -6.05486  -21.99222 1.000 28.96008  ? 112 LYS A C   1 
ATOM   757  O O   . LYS A 1 105 ? 15.93293  -6.19696  -20.90963 1.000 28.13335  ? 112 LYS A O   1 
ATOM   758  C CB  . LYS A 1 105 ? 16.01687  -7.09880  -24.19868 1.000 24.52598  ? 112 LYS A CB  1 
ATOM   759  C CG  . LYS A 1 105 ? 17.52518  -7.23607  -23.96120 1.000 38.17663  ? 112 LYS A CG  1 
ATOM   760  C CD  . LYS A 1 105 ? 18.33828  -6.79187  -25.18475 1.000 38.10437  ? 112 LYS A CD  1 
ATOM   761  C CE  . LYS A 1 105 ? 19.70199  -6.21735  -24.80173 1.000 58.56354  ? 112 LYS A CE  1 
ATOM   762  N NZ  . LYS A 1 105 ? 19.60828  -5.05842  -23.87592 1.000 64.47310  ? 112 LYS A NZ  1 
ATOM   763  N N   . SER A 1 106 ? 14.85171  -4.87435  -22.36940 1.000 25.30777  ? 113 SER A N   1 
ATOM   764  C CA  . SER A 1 106 ? 15.03708  -3.72842  -21.49149 1.000 27.82208  ? 113 SER A CA  1 
ATOM   765  C C   . SER A 1 106 ? 14.16481  -3.83108  -20.23977 1.000 27.99027  ? 113 SER A C   1 
ATOM   766  O O   . SER A 1 106 ? 14.56616  -3.34073  -19.17770 1.000 29.96749  ? 113 SER A O   1 
ATOM   767  C CB  . SER A 1 106 ? 14.76761  -2.41820  -22.24084 1.000 36.96056  ? 113 SER A CB  1 
ATOM   768  O OG  . SER A 1 106 ? 13.42041  -2.33358  -22.66708 1.000 36.16828  ? 113 SER A OG  1 
ATOM   769  N N   . GLY A 1 107 ? 12.99048  -4.46390  -20.33820 1.000 23.75550  ? 114 GLY A N   1 
ATOM   770  C CA  . GLY A 1 107 ? 12.15944  -4.67348  -19.15352 1.000 27.63989  ? 114 GLY A CA  1 
ATOM   771  C C   . GLY A 1 107 ? 12.81195  -5.58999  -18.13596 1.000 26.99215  ? 114 GLY A C   1 
ATOM   772  O O   . GLY A 1 107 ? 12.78495  -5.31741  -16.93320 1.000 26.57989  ? 114 GLY A O   1 
ATOM   773  N N   . THR A 1 108 ? 13.43222  -6.67782  -18.60290 1.000 21.80567  ? 115 THR A N   1 
ATOM   774  C CA  . THR A 1 108 ? 14.15540  -7.55837  -17.68989 1.000 25.03734  ? 115 THR A CA  1 
ATOM   775  C C   . THR A 1 108 ? 15.30140  -6.82862  -17.00515 1.000 32.62051  ? 115 THR A C   1 
ATOM   776  O O   . THR A 1 108 ? 15.51107  -6.99614  -15.80013 1.000 31.46304  ? 115 THR A O   1 
ATOM   777  C CB  . THR A 1 108 ? 14.67613  -8.77601  -18.45330 1.000 24.61677  ? 115 THR A CB  1 
ATOM   778  O OG1 . THR A 1 108 ? 13.54281  -9.50284  -18.93569 1.000 22.39647  ? 115 THR A OG1 1 
ATOM   779  C CG2 . THR A 1 108 ? 15.49583  -9.65947  -17.55888 1.000 27.76659  ? 115 THR A CG2 1 
ATOM   780  N N   . LYS A 1 109 ? 16.06266  -6.02677  -17.75789 1.000 28.91719  ? 116 LYS A N   1 
ATOM   781  C CA  . LYS A 1 109 ? 17.17481  -5.28786  -17.16470 1.000 33.81871  ? 116 LYS A CA  1 
ATOM   782  C C   . LYS A 1 109 ? 16.67803  -4.39746  -16.03555 1.000 39.38058  ? 116 LYS A C   1 
ATOM   783  O O   . LYS A 1 109 ? 17.25404  -4.37300  -14.94057 1.000 37.69507  ? 116 LYS A O   1 
ATOM   784  C CB  . LYS A 1 109 ? 17.88829  -4.45668  -18.23131 1.000 35.32021  ? 116 LYS A CB  1 
ATOM   785  C CG  . LYS A 1 109 ? 18.91057  -3.45913  -17.66271 1.000 41.54045  ? 116 LYS A CG  1 
ATOM   786  C CD  . LYS A 1 109 ? 19.68941  -2.75551  -18.76391 1.000 44.75511  ? 116 LYS A CD  1 
ATOM   787  C CE  . LYS A 1 109 ? 20.71958  -1.79517  -18.15795 1.000 55.95725  ? 116 LYS A CE  1 
ATOM   788  N NZ  . LYS A 1 109 ? 20.07036  -0.79043  -17.25415 1.000 68.56433  ? 116 LYS A NZ  1 
ATOM   789  N N   . ALA A 1 110 ? 15.58712  -3.67195  -16.27830 1.000 33.70945  ? 117 ALA A N   1 
ATOM   790  C CA  . ALA A 1 110 ? 15.05880  -2.79768  -15.23785 1.000 41.40506  ? 117 ALA A CA  1 
ATOM   791  C C   . ALA A 1 110 ? 14.54362  -3.60798  -14.05762 1.000 34.53454  ? 117 ALA A C   1 
ATOM   792  O O   . ALA A 1 110 ? 14.72354  -3.22029  -12.89749 1.000 37.18172  ? 117 ALA A O   1 
ATOM   793  C CB  . ALA A 1 110 ? 13.95319  -1.91430  -15.81055 1.000 34.54467  ? 117 ALA A CB  1 
ATOM   794  N N   . PHE A 1 111 ? 13.88899  -4.73320  -14.33612 1.000 32.16047  ? 118 PHE A N   1 
ATOM   795  C CA  . PHE A 1 111 ? 13.30478  -5.53236  -13.26686 1.000 32.20378  ? 118 PHE A CA  1 
ATOM   796  C C   . PHE A 1 111 ? 14.38590  -6.07625  -12.33653 1.000 35.35281  ? 118 PHE A C   1 
ATOM   797  O O   . PHE A 1 111 ? 14.26558  -6.01025  -11.11026 1.000 35.66239  ? 118 PHE A O   1 
ATOM   798  C CB  . PHE A 1 111 ? 12.48801  -6.65510  -13.89801 1.000 27.98431  ? 118 PHE A CB  1 
ATOM   799  C CG  . PHE A 1 111 ? 11.81176  -7.54811  -12.92593 1.000 25.90704  ? 118 PHE A CG  1 
ATOM   800  C CD1 . PHE A 1 111 ? 11.16616  -7.03398  -11.80048 1.000 26.49715  ? 118 PHE A CD1 1 
ATOM   801  C CD2 . PHE A 1 111 ? 11.73828  -8.90867  -13.17454 1.000 26.66063  ? 118 PHE A CD2 1 
ATOM   802  C CE1 . PHE A 1 111 ? 10.49826  -7.88035  -10.92753 1.000 28.25218  ? 118 PHE A CE1 1 
ATOM   803  C CE2 . PHE A 1 111 ? 11.06709  -9.76070  -12.29477 1.000 30.73170  ? 118 PHE A CE2 1 
ATOM   804  C CZ  . PHE A 1 111 ? 10.44997  -9.23547  -11.17293 1.000 30.13905  ? 118 PHE A CZ  1 
ATOM   805  N N   . MET A 1 112 ? 15.46643  -6.60650  -12.90245 1.000 35.36817  ? 119 MET A N   1 
ATOM   806  C CA  . MET A 1 112 ? 16.46815  -7.22931  -12.04795 1.000 44.63595  ? 119 MET A CA  1 
ATOM   807  C C   . MET A 1 112 ? 17.25689  -6.18808  -11.27524 1.000 42.30562  ? 119 MET A C   1 
ATOM   808  O O   . MET A 1 112 ? 17.71608  -6.46029  -10.16189 1.000 48.65465  ? 119 MET A O   1 
ATOM   809  C CB  . MET A 1 112 ? 17.37702  -8.11667  -12.88679 1.000 48.31041  ? 119 MET A CB  1 
ATOM   810  C CG  . MET A 1 112 ? 16.74589  -9.46743  -13.12090 1.000 31.16825  ? 119 MET A CG  1 
ATOM   811  S SD  . MET A 1 112 ? 17.79934  -10.38379 -14.23508 1.000 65.78372  ? 119 MET A SD  1 
ATOM   812  C CE  . MET A 1 112 ? 16.88821  -11.91007 -14.42127 1.000 41.40582  ? 119 MET A CE  1 
ATOM   813  N N   . GLU A 1 113 ? 17.40714  -4.99193  -11.84110 1.000 41.13630  ? 120 GLU A N   1 
ATOM   814  C CA  . GLU A 1 113 ? 17.97331  -3.88091  -11.09144 1.000 45.52370  ? 120 GLU A CA  1 
ATOM   815  C C   . GLU A 1 113 ? 17.08192  -3.51363  -9.91311  1.000 46.53050  ? 120 GLU A C   1 
ATOM   816  O O   . GLU A 1 113 ? 17.57236  -3.22697  -8.81337  1.000 51.14512  ? 120 GLU A O   1 
ATOM   817  C CB  . GLU A 1 113 ? 18.16468  -2.70145  -12.03964 1.000 46.82722  ? 120 GLU A CB  1 
ATOM   818  C CG  . GLU A 1 113 ? 19.52107  -2.05955  -11.99360 1.000 76.45866  ? 120 GLU A CG  1 
ATOM   819  C CD  . GLU A 1 113 ? 19.57856  -0.81779  -12.85188 1.000 87.63458  ? 120 GLU A CD  1 
ATOM   820  O OE1 . GLU A 1 113 ? 18.82758  -0.76917  -13.85610 1.000 71.61748  ? 120 GLU A OE1 1 
ATOM   821  O OE2 . GLU A 1 113 ? 20.35956  0.10246   -12.51748 1.000 97.78148  ? 120 GLU A OE2 1 
ATOM   822  N N   . ALA A 1 114 ? 15.76374  -3.55562  -10.11056 1.000 42.72659  ? 121 ALA A N   1 
ATOM   823  C CA  . ALA A 1 114 ? 14.84416  -3.23434  -9.02508  1.000 43.26567  ? 121 ALA A CA  1 
ATOM   824  C C   . ALA A 1 114 ? 14.89051  -4.28941  -7.92795  1.000 43.27694  ? 121 ALA A C   1 
ATOM   825  O O   . ALA A 1 114 ? 14.78557  -3.95874  -6.74007  1.000 46.83783  ? 121 ALA A O   1 
ATOM   826  C CB  . ALA A 1 114 ? 13.42205  -3.08953  -9.56488  1.000 40.13407  ? 121 ALA A CB  1 
ATOM   827  N N   . LEU A 1 115 ? 15.03984  -5.56409  -8.30609  1.000 41.32515  ? 122 LEU A N   1 
ATOM   828  C CA  . LEU A 1 115 ? 15.06743  -6.63987  -7.31702  1.000 41.50006  ? 122 LEU A CA  1 
ATOM   829  C C   . LEU A 1 115 ? 16.28140  -6.51036  -6.40667  1.000 50.78119  ? 122 LEU A C   1 
ATOM   830  O O   . LEU A 1 115 ? 16.18680  -6.71030  -5.18865  1.000 50.18223  ? 122 LEU A O   1 
ATOM   831  C CB  . LEU A 1 115 ? 15.09667  -7.99295  -8.01766  1.000 37.67707  ? 122 LEU A CB  1 
ATOM   832  C CG  . LEU A 1 115 ? 13.82231  -8.39879  -8.74222  1.000 37.63279  ? 122 LEU A CG  1 
ATOM   833  C CD1 . LEU A 1 115 ? 14.05191  -9.71733  -9.44485  1.000 40.44149  ? 122 LEU A CD1 1 
ATOM   834  C CD2 . LEU A 1 115 ? 12.65935  -8.47377  -7.75633  1.000 36.93443  ? 122 LEU A CD2 1 
ATOM   835  N N   . GLN A 1 116 ? 17.43517  -6.18784  -6.98251  1.000 52.23649  ? 123 GLN A N   1 
ATOM   836  C CA  . GLN A 1 116 ? 18.62273  -5.98561  -6.16832  1.000 54.96742  ? 123 GLN A CA  1 
ATOM   837  C C   . GLN A 1 116 ? 18.54924  -4.70468  -5.34749  1.000 59.75973  ? 123 GLN A C   1 
ATOM   838  O O   . GLN A 1 116 ? 19.36128  -4.52610  -4.43278  1.000 71.17944  ? 123 GLN A O   1 
ATOM   839  C CB  . GLN A 1 116 ? 19.86618  -5.97897  -7.05955  1.000 55.08443  ? 123 GLN A CB  1 
ATOM   840  C CG  . GLN A 1 116 ? 20.28181  -7.36763  -7.53659  1.000 58.31117  ? 123 GLN A CG  1 
ATOM   841  C CD  . GLN A 1 116 ? 21.79083  -7.60120  -7.44295  1.000 101.13335 ? 123 GLN A CD  1 
ATOM   842  O OE1 . GLN A 1 116 ? 22.55055  -6.70538  -7.06368  1.000 102.36531 ? 123 GLN A OE1 1 
ATOM   843  N NE2 . GLN A 1 116 ? 22.22723  -8.81072  -7.78994  1.000 100.90705 ? 123 GLN A NE2 1 
ATOM   844  N N   . ALA A 1 117 ? 17.59672  -3.81985  -5.64679  1.000 58.33067  ? 124 ALA A N   1 
ATOM   845  C CA  . ALA A 1 117 ? 17.40301  -2.57354  -4.91673  1.000 61.96017  ? 124 ALA A CA  1 
ATOM   846  C C   . ALA A 1 117 ? 16.19691  -2.62493  -3.97947  1.000 71.57357  ? 124 ALA A C   1 
ATOM   847  O O   . ALA A 1 117 ? 15.74703  -1.58012  -3.49720  1.000 71.89808  ? 124 ALA A O   1 
ATOM   848  C CB  . ALA A 1 117 ? 17.26421  -1.40894  -5.89803  1.000 62.83393  ? 124 ALA A CB  1 
ATOM   849  N N   . GLY A 1 118 ? 15.64961  -3.81188  -3.72530  1.000 53.57649  ? 125 GLY A N   1 
ATOM   850  C CA  . GLY A 1 118 ? 14.61938  -3.98327  -2.71466  1.000 59.33913  ? 125 GLY A CA  1 
ATOM   851  C C   . GLY A 1 118 ? 13.26732  -4.43734  -3.22266  1.000 55.56213  ? 125 GLY A C   1 
ATOM   852  O O   . GLY A 1 118 ? 12.41328  -4.80401  -2.40050  1.000 51.76012  ? 125 GLY A O   1 
ATOM   853  N N   . ALA A 1 119 ? 13.01880  -4.42596  -4.53157  1.000 46.06539  ? 126 ALA A N   1 
ATOM   854  C CA  . ALA A 1 119 ? 11.72997  -4.86192  -5.04843  1.000 42.42685  ? 126 ALA A CA  1 
ATOM   855  C C   . ALA A 1 119 ? 11.56760  -6.37286  -4.87711  1.000 42.91290  ? 126 ALA A C   1 
ATOM   856  O O   . ALA A 1 119 ? 12.52119  -7.10380  -4.60193  1.000 43.82303  ? 126 ALA A O   1 
ATOM   857  C CB  . ALA A 1 119 ? 11.58974  -4.47853  -6.52051  1.000 41.97193  ? 126 ALA A CB  1 
ATOM   858  N N   . ASP A 1 120 ? 10.33841  -6.84821  -5.05160  1.000 39.34767  ? 127 ASP A N   1 
ATOM   859  C CA  . ASP A 1 120 ? 10.06630  -8.27817  -5.06702  1.000 39.10562  ? 127 ASP A CA  1 
ATOM   860  C C   . ASP A 1 120 ? 9.39492   -8.67195  -6.37482  1.000 35.55580  ? 127 ASP A C   1 
ATOM   861  O O   . ASP A 1 120 ? 9.00631   -7.82856  -7.18404  1.000 30.60142  ? 127 ASP A O   1 
ATOM   862  C CB  . ASP A 1 120 ? 9.19286   -8.69543  -3.88546  1.000 38.39844  ? 127 ASP A CB  1 
ATOM   863  C CG  . ASP A 1 120 ? 7.85799   -8.00927  -3.89962  1.000 45.96383  ? 127 ASP A CG  1 
ATOM   864  O OD1 . ASP A 1 120 ? 7.79506   -6.80776  -3.55903  1.000 57.57103  ? 127 ASP A OD1 1 
ATOM   865  O OD2 . ASP A 1 120 ? 6.89031   -8.64999  -4.34175  1.000 40.34697  ? 127 ASP A OD2 1 
ATOM   866  N N   . ILE A 1 121 ? 9.24691   -9.98579  -6.56783  1.000 32.02227  ? 128 ILE A N   1 
ATOM   867  C CA  . ILE A 1 121 ? 8.75634   -10.51070 -7.83426  1.000 26.87345  ? 128 ILE A CA  1 
ATOM   868  C C   . ILE A 1 121 ? 7.37137   -9.97987  -8.17497  1.000 29.00188  ? 128 ILE A C   1 
ATOM   869  O O   . ILE A 1 121 ? 7.03810   -9.82214  -9.35488  1.000 31.11770  ? 128 ILE A O   1 
ATOM   870  C CB  . ILE A 1 121 ? 8.81893   -12.05539 -7.81246  1.000 29.22865  ? 128 ILE A CB  1 
ATOM   871  C CG1 . ILE A 1 121 ? 10.27909  -12.48450 -8.06391  1.000 36.41086  ? 128 ILE A CG1 1 
ATOM   872  C CG2 . ILE A 1 121 ? 7.85262   -12.69086 -8.81458  1.000 28.31918  ? 128 ILE A CG2 1 
ATOM   873  C CD1 . ILE A 1 121 ? 10.64720  -13.87806 -7.58225  1.000 37.47788  ? 128 ILE A CD1 1 
ATOM   874  N N   . SER A 1 122 ? 6.56769   -9.62431  -7.16564  1.000 30.52176  ? 129 SER A N   1 
ATOM   875  C CA  . SER A 1 122 ? 5.20881   -9.16101  -7.46143  1.000 32.25358  ? 129 SER A CA  1 
ATOM   876  C C   . SER A 1 122 ? 5.16885   -7.85592  -8.25731  1.000 32.35366  ? 129 SER A C   1 
ATOM   877  O O   . SER A 1 122 ? 4.10927   -7.51684  -8.80265  1.000 31.69817  ? 129 SER A O   1 
ATOM   878  C CB  . SER A 1 122 ? 4.40206   -8.97761  -6.17327  1.000 28.45096  ? 129 SER A CB  1 
ATOM   879  O OG  . SER A 1 122 ? 4.75525   -7.77924  -5.51489  1.000 32.99136  ? 129 SER A OG  1 
ATOM   880  N N   . MET A 1 123 ? 6.26898   -7.10553  -8.32301  1.000 29.15271  ? 130 MET A N   1 
ATOM   881  C CA  . MET A 1 123 ? 6.31326   -5.85394  -9.07827  1.000 28.14908  ? 130 MET A CA  1 
ATOM   882  C C   . MET A 1 123 ? 6.63031   -6.05891  -10.56482 1.000 30.59599  ? 130 MET A C   1 
ATOM   883  O O   . MET A 1 123 ? 6.76899   -5.07746  -11.30732 1.000 26.02521  ? 130 MET A O   1 
ATOM   884  C CB  . MET A 1 123 ? 7.31007   -4.90090  -8.41868  1.000 31.53381  ? 130 MET A CB  1 
ATOM   885  C CG  . MET A 1 123 ? 6.96827   -4.74484  -6.92191  1.000 35.38306  ? 130 MET A CG  1 
ATOM   886  S SD  . MET A 1 123 ? 8.20101   -3.90998  -5.92665  1.000 45.90981  ? 130 MET A SD  1 
ATOM   887  C CE  . MET A 1 123 ? 8.21907   -2.32409  -6.77710  1.000 49.42303  ? 130 MET A CE  1 
ATOM   888  N N   . ILE A 1 124 ? 6.66600   -7.31294  -11.02033 1.000 22.83290  ? 131 ILE A N   1 
ATOM   889  C CA  . ILE A 1 124 ? 7.12640   -7.64048  -12.37301 1.000 21.23717  ? 131 ILE A CA  1 
ATOM   890  C C   . ILE A 1 124 ? 6.33324   -6.87833  -13.43609 1.000 21.88941  ? 131 ILE A C   1 
ATOM   891  O O   . ILE A 1 124 ? 6.89007   -6.46098  -14.45730 1.000 20.94423  ? 131 ILE A O   1 
ATOM   892  C CB  . ILE A 1 124 ? 7.06250   -9.16870  -12.57615 1.000 23.50486  ? 131 ILE A CB  1 
ATOM   893  C CG1 . ILE A 1 124 ? 7.68783   -9.56696  -13.92567 1.000 23.54443  ? 131 ILE A CG1 1 
ATOM   894  C CG2 . ILE A 1 124 ? 5.60860   -9.68909  -12.41450 1.000 22.39422  ? 131 ILE A CG2 1 
ATOM   895  C CD1 . ILE A 1 124 ? 7.76614   -11.08384 -14.10727 1.000 26.49297  ? 131 ILE A CD1 1 
ATOM   896  N N   . GLY A 1 125 ? 5.03082   -6.68207  -13.21608 1.000 22.49078  ? 132 GLY A N   1 
ATOM   897  C CA  . GLY A 1 125 ? 4.20478   -6.00853  -14.21279 1.000 23.16553  ? 132 GLY A CA  1 
ATOM   898  C C   . GLY A 1 125 ? 4.60734   -4.56667  -14.47653 1.000 28.18854  ? 132 GLY A C   1 
ATOM   899  O O   . GLY A 1 125 ? 4.33352   -4.03124  -15.55583 1.000 28.06166  ? 132 GLY A O   1 
ATOM   900  N N   . GLN A 1 126 ? 5.23616   -3.90907  -13.49603 1.000 24.72542  ? 133 GLN A N   1 
ATOM   901  C CA  . GLN A 1 126 ? 5.69605   -2.53825  -13.68914 1.000 27.78794  ? 133 GLN A CA  1 
ATOM   902  C C   . GLN A 1 126 ? 6.84301   -2.45180  -14.67522 1.000 26.01733  ? 133 GLN A C   1 
ATOM   903  O O   . GLN A 1 126 ? 7.23635   -1.34312  -15.04972 1.000 30.38297  ? 133 GLN A O   1 
ATOM   904  C CB  . GLN A 1 126 ? 6.10878   -1.92730  -12.35695 1.000 32.97792  ? 133 GLN A CB  1 
ATOM   905  C CG  . GLN A 1 126 ? 4.99568   -2.02080  -11.31487 1.000 35.45357  ? 133 GLN A CG  1 
ATOM   906  C CD  . GLN A 1 126 ? 5.37905   -1.39460  -9.99112  1.000 44.06572  ? 133 GLN A CD  1 
ATOM   907  O OE1 . GLN A 1 126 ? 6.09490   -0.38937  -9.94364  1.000 51.20097  ? 133 GLN A OE1 1 
ATOM   908  N NE2 . GLN A 1 126 ? 4.90725   -1.99161  -8.89982  1.000 47.27110  ? 133 GLN A NE2 1 
ATOM   909  N N   . PHE A 1 127 ? 7.38259   -3.58744  -15.08934 1.000 23.65222  ? 134 PHE A N   1 
ATOM   910  C CA  . PHE A 1 127 ? 8.49895   -3.64759  -16.01806 1.000 26.75688  ? 134 PHE A CA  1 
ATOM   911  C C   . PHE A 1 127 ? 8.10336   -4.27431  -17.34501 1.000 27.48753  ? 134 PHE A C   1 
ATOM   912  O O   . PHE A 1 127 ? 8.97745   -4.55680  -18.17312 1.000 26.42640  ? 134 PHE A O   1 
ATOM   913  C CB  . PHE A 1 127 ? 9.65744   -4.40182  -15.35700 1.000 24.30315  ? 134 PHE A CB  1 
ATOM   914  C CG  . PHE A 1 127 ? 10.06808  -3.79035  -14.05211 1.000 27.31972  ? 134 PHE A CG  1 
ATOM   915  C CD1 . PHE A 1 127 ? 10.91121  -2.69631  -14.04621 1.000 30.76585  ? 134 PHE A CD1 1 
ATOM   916  C CD2 . PHE A 1 127 ? 9.55817   -4.24656  -12.85053 1.000 27.59443  ? 134 PHE A CD2 1 
ATOM   917  C CE1 . PHE A 1 127 ? 11.28156  -2.08856  -12.84805 1.000 33.85101  ? 134 PHE A CE1 1 
ATOM   918  C CE2 . PHE A 1 127 ? 9.92429   -3.64929  -11.64690 1.000 30.89101  ? 134 PHE A CE2 1 
ATOM   919  C CZ  . PHE A 1 127 ? 10.77762  -2.57043  -11.64670 1.000 33.98763  ? 134 PHE A CZ  1 
ATOM   920  N N   . GLY A 1 128 ? 6.80441   -4.48658  -17.56536 1.000 24.58401  ? 135 GLY A N   1 
ATOM   921  C CA  . GLY A 1 128 ? 6.32023   -4.88740  -18.86868 1.000 23.55649  ? 135 GLY A CA  1 
ATOM   922  C C   . GLY A 1 128 ? 6.59098   -6.32594  -19.24640 1.000 20.37994  ? 135 GLY A C   1 
ATOM   923  O O   . GLY A 1 128 ? 6.44496   -6.67082  -20.42968 1.000 24.40848  ? 135 GLY A O   1 
ATOM   924  N N   . VAL A 1 129 ? 6.98903   -7.17480  -18.29605 1.000 16.67102  ? 136 VAL A N   1 
ATOM   925  C CA  . VAL A 1 129 ? 7.28165   -8.57387  -18.57697 1.000 15.72680  ? 136 VAL A CA  1 
ATOM   926  C C   . VAL A 1 129 ? 6.44263   -9.47423  -17.66664 1.000 16.02957  ? 136 VAL A C   1 
ATOM   927  O O   . VAL A 1 129 ? 6.85532   -10.58140 -17.32163 1.000 16.82410  ? 136 VAL A O   1 
ATOM   928  C CB  . VAL A 1 129 ? 8.79683   -8.85132  -18.43297 1.000 18.15102  ? 136 VAL A CB  1 
ATOM   929  C CG1 . VAL A 1 129 ? 9.52113   -8.14111  -19.58634 1.000 20.92501  ? 136 VAL A CG1 1 
ATOM   930  C CG2 . VAL A 1 129 ? 9.34591   -8.33333  -17.09751 1.000 20.14215  ? 136 VAL A CG2 1 
ATOM   931  N N   . GLY A 1 130 ? 5.24389   -9.00504  -17.29392 1.000 17.21988  ? 137 GLY A N   1 
ATOM   932  C CA  . GLY A 1 130 ? 4.35954   -9.76382  -16.41688 1.000 16.74820  ? 137 GLY A CA  1 
ATOM   933  C C   . GLY A 1 130 ? 3.93278   -11.11619 -16.96264 1.000 17.04513  ? 137 GLY A C   1 
ATOM   934  O O   . GLY A 1 130 ? 3.57404   -12.01005 -16.17241 1.000 18.13589  ? 137 GLY A O   1 
ATOM   935  N N   . PHE A 1 131 ? 3.93257   -11.28634 -18.29239 1.000 16.43257  ? 138 PHE A N   1 
ATOM   936  C CA  . PHE A 1 131 ? 3.58933   -12.59025 -18.85595 1.000 16.19740  ? 138 PHE A CA  1 
ATOM   937  C C   . PHE A 1 131 ? 4.41684   -13.69465 -18.20990 1.000 14.26306  ? 138 PHE A C   1 
ATOM   938  O O   . PHE A 1 131 ? 3.89952   -14.77944 -17.92223 1.000 15.70531  ? 138 PHE A O   1 
ATOM   939  C CB  . PHE A 1 131 ? 3.80585   -12.60809 -20.38470 1.000 14.56630  ? 138 PHE A CB  1 
ATOM   940  C CG  . PHE A 1 131 ? 3.79081   -13.98967 -20.96580 1.000 14.68660  ? 138 PHE A CG  1 
ATOM   941  C CD1 . PHE A 1 131 ? 2.58522   -14.65768 -21.14349 1.000 16.17397  ? 138 PHE A CD1 1 
ATOM   942  C CD2 . PHE A 1 131 ? 4.97772   -14.62958 -21.29824 1.000 17.33447  ? 138 PHE A CD2 1 
ATOM   943  C CE1 . PHE A 1 131 ? 2.55005   -15.94560 -21.64341 1.000 17.11486  ? 138 PHE A CE1 1 
ATOM   944  C CE2 . PHE A 1 131 ? 4.95468   -15.92994 -21.81848 1.000 16.60921  ? 138 PHE A CE2 1 
ATOM   945  C CZ  . PHE A 1 131 ? 3.75099   -16.58801 -21.97338 1.000 21.50760  ? 138 PHE A CZ  1 
ATOM   946  N N   . TYR A 1 132 ? 5.71268   -13.44020 -17.99107 1.000 16.35178  ? 139 TYR A N   1 
ATOM   947  C CA  . TYR A 1 132 ? 6.59947   -14.52701 -17.58312 1.000 17.06945  ? 139 TYR A CA  1 
ATOM   948  C C   . TYR A 1 132 ? 6.33693   -14.98613 -16.15032 1.000 19.91752  ? 139 TYR A C   1 
ATOM   949  O O   . TYR A 1 132 ? 6.81686   -16.06387 -15.76319 1.000 18.98548  ? 139 TYR A O   1 
ATOM   950  C CB  . TYR A 1 132 ? 8.05915   -14.09871 -17.79960 1.000 15.31088  ? 139 TYR A CB  1 
ATOM   951  C CG  . TYR A 1 132 ? 8.33343   -13.84139 -19.27717 1.000 17.76852  ? 139 TYR A CG  1 
ATOM   952  C CD1 . TYR A 1 132 ? 8.61486   -14.88222 -20.14374 1.000 17.48955  ? 139 TYR A CD1 1 
ATOM   953  C CD2 . TYR A 1 132 ? 8.29091   -12.55133 -19.78939 1.000 19.06996  ? 139 TYR A CD2 1 
ATOM   954  C CE1 . TYR A 1 132 ? 8.83958   -14.65196 -21.52992 1.000 17.86620  ? 139 TYR A CE1 1 
ATOM   955  C CE2 . TYR A 1 132 ? 8.50683   -12.29716 -21.15370 1.000 20.41211  ? 139 TYR A CE2 1 
ATOM   956  C CZ  . TYR A 1 132 ? 8.77806   -13.35753 -22.01660 1.000 19.30997  ? 139 TYR A CZ  1 
ATOM   957  O OH  . TYR A 1 132 ? 8.98615   -13.13360 -23.36968 1.000 20.28960  ? 139 TYR A OH  1 
ATOM   958  N N   . SER A 1 133 ? 5.53823   -14.23999 -15.38143 1.000 16.70150  ? 140 SER A N   1 
ATOM   959  C CA  . SER A 1 133 ? 5.09742   -14.72467 -14.07997 1.000 17.41694  ? 140 SER A CA  1 
ATOM   960  C C   . SER A 1 133 ? 4.23774   -15.97819 -14.18579 1.000 15.06022  ? 140 SER A C   1 
ATOM   961  O O   . SER A 1 133 ? 3.99266   -16.63617 -13.16240 1.000 18.09020  ? 140 SER A O   1 
ATOM   962  C CB  . SER A 1 133 ? 4.32516   -13.63269 -13.31739 1.000 19.00026  ? 140 SER A CB  1 
ATOM   963  O OG  . SER A 1 133 ? 3.05405   -13.39024 -13.88806 1.000 19.35758  ? 140 SER A OG  1 
ATOM   964  N N   . ALA A 1 134 ? 3.74752   -16.30425 -15.38479 1.000 16.12116  ? 141 ALA A N   1 
ATOM   965  C CA  . ALA A 1 134 ? 3.06617   -17.58465 -15.55743 1.000 16.99973  ? 141 ALA A CA  1 
ATOM   966  C C   . ALA A 1 134 ? 3.90310   -18.75298 -15.04157 1.000 16.88851  ? 141 ALA A C   1 
ATOM   967  O O   . ALA A 1 134 ? 3.34306   -19.73795 -14.52747 1.000 17.83851  ? 141 ALA A O   1 
ATOM   968  C CB  . ALA A 1 134 ? 2.73175   -17.79353 -17.04147 1.000 16.88575  ? 141 ALA A CB  1 
ATOM   969  N N   . TYR A 1 135 ? 5.25445   -18.65808 -15.14783 1.000 15.68222  ? 142 TYR A N   1 
ATOM   970  C CA  . TYR A 1 135 ? 6.11761   -19.75984 -14.73492 1.000 19.01888  ? 142 TYR A CA  1 
ATOM   971  C C   . TYR A 1 135 ? 6.27400   -19.86590 -13.21413 1.000 17.94068  ? 142 TYR A C   1 
ATOM   972  O O   . TYR A 1 135 ? 6.97376   -20.77086 -12.74297 1.000 18.90772  ? 142 TYR A O   1 
ATOM   973  C CB  . TYR A 1 135 ? 7.48882   -19.64255 -15.45522 1.000 16.12956  ? 142 TYR A CB  1 
ATOM   974  C CG  . TYR A 1 135 ? 7.30766   -19.94319 -16.93121 1.000 16.32014  ? 142 TYR A CG  1 
ATOM   975  C CD1 . TYR A 1 135 ? 7.30011   -21.26577 -17.39777 1.000 18.78787  ? 142 TYR A CD1 1 
ATOM   976  C CD2 . TYR A 1 135 ? 7.03674   -18.92162 -17.82612 1.000 15.30933  ? 142 TYR A CD2 1 
ATOM   977  C CE1 . TYR A 1 135 ? 7.07243   -21.55024 -18.75440 1.000 18.36716  ? 142 TYR A CE1 1 
ATOM   978  C CE2 . TYR A 1 135 ? 6.79924   -19.18125 -19.17832 1.000 15.35246  ? 142 TYR A CE2 1 
ATOM   979  C CZ  . TYR A 1 135 ? 6.82088   -20.48995 -19.62458 1.000 16.94705  ? 142 TYR A CZ  1 
ATOM   980  O OH  . TYR A 1 135 ? 6.59947   -20.70482 -20.96334 1.000 17.55672  ? 142 TYR A OH  1 
ATOM   981  N N   . LEU A 1 136 ? 5.58824   -19.00537 -12.44533 1.000 18.56145  ? 143 LEU A N   1 
ATOM   982  C CA  . LEU A 1 136 ? 5.45738   -19.22425 -11.01114 1.000 17.22299  ? 143 LEU A CA  1 
ATOM   983  C C   . LEU A 1 136 ? 4.60846   -20.45065 -10.72659 1.000 18.25999  ? 143 LEU A C   1 
ATOM   984  O O   . LEU A 1 136 ? 4.81147   -21.12828 -9.71440  1.000 22.43745  ? 143 LEU A O   1 
ATOM   985  C CB  . LEU A 1 136 ? 4.82243   -17.99795 -10.35450 1.000 19.13233  ? 143 LEU A CB  1 
ATOM   986  C CG  . LEU A 1 136 ? 5.63221   -16.70672 -10.31860 1.000 18.40000  ? 143 LEU A CG  1 
ATOM   987  C CD1 . LEU A 1 136 ? 4.74613   -15.54597 -9.85307  1.000 20.57548  ? 143 LEU A CD1 1 
ATOM   988  C CD2 . LEU A 1 136 ? 6.85190   -16.87326 -9.41281  1.000 20.19584  ? 143 LEU A CD2 1 
ATOM   989  N N   . VAL A 1 137 ? 3.65364   -20.74712 -11.60909 1.000 18.23147  ? 144 VAL A N   1 
ATOM   990  C CA  . VAL A 1 137 ? 2.70473   -21.82682 -11.35232 1.000 18.15085  ? 144 VAL A CA  1 
ATOM   991  C C   . VAL A 1 137 ? 2.66189   -22.87147 -12.45558 1.000 17.12448  ? 144 VAL A C   1 
ATOM   992  O O   . VAL A 1 137 ? 2.16221   -23.97411 -12.19750 1.000 21.81998  ? 144 VAL A O   1 
ATOM   993  C CB  . VAL A 1 137 ? 1.28573   -21.27444 -11.09340 1.000 20.00254  ? 144 VAL A CB  1 
ATOM   994  C CG1 . VAL A 1 137 ? 1.27790   -20.42783 -9.80749  1.000 22.28049  ? 144 VAL A CG1 1 
ATOM   995  C CG2 . VAL A 1 137 ? 0.76311   -20.47369 -12.29239 1.000 20.03793  ? 144 VAL A CG2 1 
ATOM   996  N N   . ALA A 1 138 ? 3.20074   -22.60300 -13.63938 1.000 18.09078  ? 145 ALA A N   1 
ATOM   997  C CA  . ALA A 1 138 ? 3.07955   -23.47726 -14.80265 1.000 21.17475  ? 145 ALA A CA  1 
ATOM   998  C C   . ALA A 1 138 ? 4.40867   -24.12938 -15.12952 1.000 19.90645  ? 145 ALA A C   1 
ATOM   999  O O   . ALA A 1 138 ? 5.44117   -23.45122 -15.19489 1.000 24.43064  ? 145 ALA A O   1 
ATOM   1000 C CB  . ALA A 1 138 ? 2.59292   -22.70159 -16.03023 1.000 19.65070  ? 145 ALA A CB  1 
ATOM   1001 N N   . GLU A 1 139 ? 4.37219   -25.42786 -15.40325 1.000 19.65834  ? 146 GLU A N   1 
ATOM   1002 C CA  . GLU A 1 139 ? 5.56561   -26.05631 -15.96558 1.000 20.86040  ? 146 GLU A CA  1 
ATOM   1003 C C   . GLU A 1 139 ? 5.66741   -25.86063 -17.47363 1.000 21.04267  ? 146 GLU A C   1 
ATOM   1004 O O   . GLU A 1 139 ? 6.75808   -25.99526 -18.03515 1.000 23.36524  ? 146 GLU A O   1 
ATOM   1005 C CB  . GLU A 1 139 ? 5.57798   -27.54659 -15.64838 1.000 25.06582  ? 146 GLU A CB  1 
ATOM   1006 C CG  . GLU A 1 139 ? 4.35842   -28.29477 -16.09012 1.000 32.06913  ? 146 GLU A CG  1 
ATOM   1007 C CD  . GLU A 1 139 ? 4.31301   -29.70936 -15.53074 1.000 57.00190  ? 146 GLU A CD  1 
ATOM   1008 O OE1 . GLU A 1 139 ? 3.71581   -30.58146 -16.20159 1.000 57.70434  ? 146 GLU A OE1 1 
ATOM   1009 O OE2 . GLU A 1 139 ? 4.87363   -29.94829 -14.43461 1.000 52.55436  ? 146 GLU A OE2 1 
ATOM   1010 N N   . LYS A 1 140 ? 4.54988   -25.59464 -18.14735 1.000 18.63966  ? 147 LYS A N   1 
ATOM   1011 C CA  . LYS A 1 140 ? 4.52938   -25.34152 -19.58057 1.000 17.69916  ? 147 LYS A CA  1 
ATOM   1012 C C   . LYS A 1 140 ? 3.44366   -24.30531 -19.82411 1.000 18.73834  ? 147 LYS A C   1 
ATOM   1013 O O   . LYS A 1 140 ? 2.42536   -24.30495 -19.13082 1.000 19.01735  ? 147 LYS A O   1 
ATOM   1014 C CB  . LYS A 1 140 ? 4.25659   -26.62587 -20.37384 1.000 19.32374  ? 147 LYS A CB  1 
ATOM   1015 C CG  . LYS A 1 140 ? 4.21218   -26.45369 -21.88306 1.000 20.77526  ? 147 LYS A CG  1 
ATOM   1016 C CD  . LYS A 1 140 ? 4.16416   -27.81293 -22.54374 1.000 29.08246  ? 147 LYS A CD  1 
ATOM   1017 C CE  . LYS A 1 140 ? 2.73542   -28.22828 -22.82996 1.000 33.74147  ? 147 LYS A CE  1 
ATOM   1018 N NZ  . LYS A 1 140 ? 2.67217   -29.68159 -23.20220 1.000 39.33374  ? 147 LYS A NZ  1 
ATOM   1019 N N   . VAL A 1 141 ? 3.68197   -23.40331 -20.76497 1.000 17.15113  ? 148 VAL A N   1 
ATOM   1020 C CA  . VAL A 1 141 ? 2.68526   -22.40964 -21.14988 1.000 14.88584  ? 148 VAL A CA  1 
ATOM   1021 C C   . VAL A 1 141 ? 2.49489   -22.50860 -22.64971 1.000 18.67637  ? 148 VAL A C   1 
ATOM   1022 O O   . VAL A 1 141 ? 3.48290   -22.56373 -23.39528 1.000 16.59393  ? 148 VAL A O   1 
ATOM   1023 C CB  . VAL A 1 141 ? 3.11648   -20.99057 -20.75451 1.000 14.78493  ? 148 VAL A CB  1 
ATOM   1024 C CG1 . VAL A 1 141 ? 2.03863   -19.96393 -21.22501 1.000 19.40713  ? 148 VAL A CG1 1 
ATOM   1025 C CG2 . VAL A 1 141 ? 3.33789   -20.90284 -19.20913 1.000 15.61346  ? 148 VAL A CG2 1 
ATOM   1026 N N   . THR A 1 142 ? 1.23277   -22.56367 -23.08900 1.000 16.38020  ? 149 THR A N   1 
ATOM   1027 C CA  . THR A 1 142 ? 0.87199   -22.53821 -24.50466 1.000 16.09914  ? 149 THR A CA  1 
ATOM   1028 C C   . THR A 1 142 ? 0.08713   -21.25422 -24.75049 1.000 20.49830  ? 149 THR A C   1 
ATOM   1029 O O   . THR A 1 142 ? -0.83431  -20.94181 -23.99574 1.000 21.03989  ? 149 THR A O   1 
ATOM   1030 C CB  . THR A 1 142 ? 0.02028   -23.74838 -24.89669 1.000 18.92345  ? 149 THR A CB  1 
ATOM   1031 O OG1 . THR A 1 142 ? 0.67310   -24.98065 -24.54459 1.000 23.74924  ? 149 THR A OG1 1 
ATOM   1032 C CG2 . THR A 1 142 ? -0.21183  -23.72452 -26.40600 1.000 20.99552  ? 149 THR A CG2 1 
ATOM   1033 N N   . VAL A 1 143 ? 0.43788   -20.51220 -25.79108 1.000 17.78989  ? 150 VAL A N   1 
ATOM   1034 C CA  . VAL A 1 143 ? -0.27039  -19.28347 -26.12234 1.000 15.59109  ? 150 VAL A CA  1 
ATOM   1035 C C   . VAL A 1 143 ? -0.81686  -19.44673 -27.53091 1.000 18.48700  ? 150 VAL A C   1 
ATOM   1036 O O   . VAL A 1 143 ? -0.04239  -19.64816 -28.47607 1.000 19.15539  ? 150 VAL A O   1 
ATOM   1037 C CB  . VAL A 1 143 ? 0.64727   -18.05765 -26.02265 1.000 15.02771  ? 150 VAL A CB  1 
ATOM   1038 C CG1 . VAL A 1 143 ? -0.11423  -16.76889 -26.45016 1.000 19.08217  ? 150 VAL A CG1 1 
ATOM   1039 C CG2 . VAL A 1 143 ? 1.25601   -17.92618 -24.59599 1.000 17.73714  ? 150 VAL A CG2 1 
ATOM   1040 N N   . ILE A 1 144 ? -2.14061  -19.41467 -27.67586 1.000 16.12080  ? 151 ILE A N   1 
ATOM   1041 C CA  . ILE A 1 144 ? -2.77493  -19.45552 -28.99402 1.000 16.26892  ? 151 ILE A CA  1 
ATOM   1042 C C   . ILE A 1 144 ? -3.26419  -18.05012 -29.28314 1.000 18.83601  ? 151 ILE A C   1 
ATOM   1043 O O   . ILE A 1 144 ? -3.88592  -17.43066 -28.41463 1.000 18.71155  ? 151 ILE A O   1 
ATOM   1044 C CB  . ILE A 1 144 ? -3.96230  -20.43192 -29.04131 1.000 19.65990  ? 151 ILE A CB  1 
ATOM   1045 C CG1 . ILE A 1 144 ? -3.68513  -21.75415 -28.31926 1.000 30.50357  ? 151 ILE A CG1 1 
ATOM   1046 C CG2 . ILE A 1 144 ? -4.44802  -20.59445 -30.48447 1.000 20.89295  ? 151 ILE A CG2 1 
ATOM   1047 C CD1 . ILE A 1 144 ? -2.64322  -22.56308 -28.93860 1.000 28.16272  ? 151 ILE A CD1 1 
ATOM   1048 N N   . THR A 1 145 ? -3.03530  -17.54555 -30.49587 1.000 15.72232  ? 152 THR A N   1 
ATOM   1049 C CA  . THR A 1 145 ? -3.36384  -16.14652 -30.71262 1.000 17.69747  ? 152 THR A CA  1 
ATOM   1050 C C   . THR A 1 145 ? -3.77191  -15.92894 -32.15905 1.000 21.03114  ? 152 THR A C   1 
ATOM   1051 O O   . THR A 1 145 ? -3.32854  -16.64626 -33.06099 1.000 21.04080  ? 152 THR A O   1 
ATOM   1052 C CB  . THR A 1 145 ? -2.17021  -15.25616 -30.30289 1.000 18.12075  ? 152 THR A CB  1 
ATOM   1053 O OG1 . THR A 1 145 ? -2.58694  -13.88467 -30.21661 1.000 19.84577  ? 152 THR A OG1 1 
ATOM   1054 C CG2 . THR A 1 145 ? -0.98152  -15.43739 -31.29372 1.000 19.00814  ? 152 THR A CG2 1 
ATOM   1055 N N   . LYS A 1 146 ? -4.63754  -14.93272 -32.35970 1.000 16.13877  ? 153 LYS A N   1 
ATOM   1056 C CA  . LYS A 1 146 ? -5.10502  -14.56216 -33.69016 1.000 18.66878  ? 153 LYS A CA  1 
ATOM   1057 C C   . LYS A 1 146 ? -5.22308  -13.04855 -33.72506 1.000 21.90793  ? 153 LYS A C   1 
ATOM   1058 O O   . LYS A 1 146 ? -6.03199  -12.46958 -32.99570 1.000 20.19081  ? 153 LYS A O   1 
ATOM   1059 C CB  . LYS A 1 146 ? -6.45188  -15.21605 -34.00476 1.000 19.81047  ? 153 LYS A CB  1 
ATOM   1060 C CG  . LYS A 1 146 ? -7.09615  -14.76418 -35.32579 1.000 20.68005  ? 153 LYS A CG  1 
ATOM   1061 C CD  . LYS A 1 146 ? -6.29759  -15.25211 -36.55423 1.000 25.89714  ? 153 LYS A CD  1 
ATOM   1062 C CE  . LYS A 1 146 ? -7.02024  -14.93995 -37.85764 1.000 27.20249  ? 153 LYS A CE  1 
ATOM   1063 N NZ  . LYS A 1 146 ? -7.00106  -13.49105 -38.19787 1.000 26.49326  ? 153 LYS A NZ  1 
ATOM   1064 N N   . HIS A 1 147 ? -4.43322  -12.42124 -34.58449 1.000 18.83406  ? 154 HIS A N   1 
ATOM   1065 C CA  . HIS A 1 147 ? -4.48289  -10.98935 -34.84476 1.000 17.57750  ? 154 HIS A CA  1 
ATOM   1066 C C   . HIS A 1 147 ? -5.16338  -10.77067 -36.19498 1.000 22.30443  ? 154 HIS A C   1 
ATOM   1067 O O   . HIS A 1 147 ? -5.05424  -11.60955 -37.09113 1.000 24.69906  ? 154 HIS A O   1 
ATOM   1068 C CB  . HIS A 1 147 ? -3.03942  -10.44368 -34.83426 1.000 19.73830  ? 154 HIS A CB  1 
ATOM   1069 C CG  . HIS A 1 147 ? -2.91389  -8.95347  -34.94879 1.000 18.64946  ? 154 HIS A CG  1 
ATOM   1070 N ND1 . HIS A 1 147 ? -3.09337  -8.27429  -36.13420 1.000 22.62265  ? 154 HIS A ND1 1 
ATOM   1071 C CD2 . HIS A 1 147 ? -2.56613  -8.01779  -34.03163 1.000 20.17172  ? 154 HIS A CD2 1 
ATOM   1072 C CE1 . HIS A 1 147 ? -2.89313  -6.98399  -35.93798 1.000 27.65269  ? 154 HIS A CE1 1 
ATOM   1073 N NE2 . HIS A 1 147 ? -2.56689  -6.80344  -34.66935 1.000 21.79531  ? 154 HIS A NE2 1 
ATOM   1074 N N   . ASN A 1 148 ? -5.90551  -9.65540  -36.33448 1.000 21.76299  ? 155 ASN A N   1 
ATOM   1075 C CA  . ASN A 1 148 ? -6.59235  -9.39524  -37.60108 1.000 22.23653  ? 155 ASN A CA  1 
ATOM   1076 C C   . ASN A 1 148 ? -5.65453  -9.46122  -38.80465 1.000 23.53614  ? 155 ASN A C   1 
ATOM   1077 O O   . ASN A 1 148 ? -6.09285  -9.79493  -39.91482 1.000 28.46068  ? 155 ASN A O   1 
ATOM   1078 C CB  . ASN A 1 148 ? -7.28415  -8.02241  -37.60005 1.000 24.46663  ? 155 ASN A CB  1 
ATOM   1079 C CG  . ASN A 1 148 ? -8.55469  -8.00498  -36.79176 1.000 31.69803  ? 155 ASN A CG  1 
ATOM   1080 O OD1 . ASN A 1 148 ? -9.19744  -9.03600  -36.59364 1.000 28.91908  ? 155 ASN A OD1 1 
ATOM   1081 N ND2 . ASN A 1 148 ? -8.92793  -6.82519  -36.31697 1.000 27.71501  ? 155 ASN A ND2 1 
ATOM   1082 N N   . ASP A 1 149 ? -4.38024  -9.12825  -38.62614 1.000 23.42251  ? 156 ASP A N   1 
ATOM   1083 C CA  . ASP A 1 149 ? -3.45949  -9.01141  -39.74777 1.000 29.40718  ? 156 ASP A CA  1 
ATOM   1084 C C   . ASP A 1 149 ? -2.63683  -10.27144 -39.99076 1.000 31.41409  ? 156 ASP A C   1 
ATOM   1085 O O   . ASP A 1 149 ? -1.71993  -10.24287 -40.82619 1.000 32.56450  ? 156 ASP A O   1 
ATOM   1086 C CB  . ASP A 1 149 ? -2.52529  -7.82028  -39.52943 1.000 28.52940  ? 156 ASP A CB  1 
ATOM   1087 C CG  . ASP A 1 149 ? -3.25431  -6.49103  -39.56718 1.000 32.30639  ? 156 ASP A CG  1 
ATOM   1088 O OD1 . ASP A 1 149 ? -4.39550  -6.42377  -40.08985 1.000 33.30726  ? 156 ASP A OD1 1 
ATOM   1089 O OD2 . ASP A 1 149 ? -2.67428  -5.50738  -39.06273 1.000 39.11453  ? 156 ASP A OD2 1 
ATOM   1090 N N   . ASP A 1 150 ? -2.93389  -11.37366 -39.29951 1.000 25.32467  ? 157 ASP A N   1 
ATOM   1091 C CA  . ASP A 1 150 ? -2.13156  -12.59262 -39.44218 1.000 22.03327  ? 157 ASP A CA  1 
ATOM   1092 C C   . ASP A 1 150 ? -3.01072  -13.81932 -39.19995 1.000 27.87560  ? 157 ASP A C   1 
ATOM   1093 O O   . ASP A 1 150 ? -4.20593  -13.71619 -38.90468 1.000 27.07926  ? 157 ASP A O   1 
ATOM   1094 C CB  . ASP A 1 150 ? -0.92973  -12.59790 -38.46829 1.000 23.87741  ? 157 ASP A CB  1 
ATOM   1095 C CG  . ASP A 1 150 ? 0.27386   -13.34851 -39.01492 1.000 30.57494  ? 157 ASP A CG  1 
ATOM   1096 O OD1 . ASP A 1 150 ? 0.15073   -14.08589 -40.02648 1.000 30.62068  ? 157 ASP A OD1 1 
ATOM   1097 O OD2 . ASP A 1 150 ? 1.35936   -13.17091 -38.42785 1.000 27.53653  ? 157 ASP A OD2 1 
ATOM   1098 N N   . GLU A 1 151 ? -2.40490  -14.99328 -39.34612 1.000 27.44040  ? 158 GLU A N   1 
ATOM   1099 C CA  . GLU A 1 151 ? -3.08531  -16.26438 -39.16505 1.000 26.82822  ? 158 GLU A CA  1 
ATOM   1100 C C   . GLU A 1 151 ? -2.99547  -16.67676 -37.69380 1.000 23.29302  ? 158 GLU A C   1 
ATOM   1101 O O   . GLU A 1 151 ? -2.32370  -16.03780 -36.88565 1.000 24.22961  ? 158 GLU A O   1 
ATOM   1102 C CB  . GLU A 1 151 ? -2.47104  -17.32236 -40.08645 1.000 32.16712  ? 158 GLU A CB  1 
ATOM   1103 C CG  . GLU A 1 151 ? -2.74320  -17.11126 -41.60307 1.000 36.49340  ? 158 GLU A CG  1 
ATOM   1104 C CD  . GLU A 1 151 ? -4.18441  -16.72055 -42.00598 1.000 52.21259  ? 158 GLU A CD  1 
ATOM   1105 O OE1 . GLU A 1 151 ? -5.12623  -16.73852 -41.17684 1.000 68.41756  ? 158 GLU A OE1 1 
ATOM   1106 O OE2 . GLU A 1 151 ? -4.37354  -16.35510 -43.18732 1.000 72.36261  ? 158 GLU A OE2 1 
ATOM   1107 N N   . GLN A 1 152 ? -3.69702  -17.74790 -37.34279 1.000 23.72077  ? 159 GLN A N   1 
ATOM   1108 C CA  . GLN A 1 152 ? -3.69489  -18.21081 -35.95754 1.000 21.65051  ? 159 GLN A CA  1 
ATOM   1109 C C   . GLN A 1 152 ? -2.43876  -19.02532 -35.68034 1.000 22.41770  ? 159 GLN A C   1 
ATOM   1110 O O   . GLN A 1 152 ? -2.11516  -19.94578 -36.44572 1.000 23.66818  ? 159 GLN A O   1 
ATOM   1111 C CB  . GLN A 1 152 ? -4.93518  -19.06001 -35.68488 1.000 22.14984  ? 159 GLN A CB  1 
ATOM   1112 C CG  . GLN A 1 152 ? -5.16120  -19.36738 -34.19997 1.000 22.72110  ? 159 GLN A CG  1 
ATOM   1113 C CD  . GLN A 1 152 ? -6.58760  -19.81528 -33.95563 1.000 30.40342  ? 159 GLN A CD  1 
ATOM   1114 O OE1 . GLN A 1 152 ? -7.51953  -19.10730 -34.31239 1.000 31.89950  ? 159 GLN A OE1 1 
ATOM   1115 N NE2 . GLN A 1 152 ? -6.76513  -21.00790 -33.38386 1.000 27.91070  ? 159 GLN A NE2 1 
ATOM   1116 N N   . TYR A 1 153 ? -1.75122  -18.70441 -34.57861 1.000 19.47861  ? 160 TYR A N   1 
ATOM   1117 C CA  . TYR A 1 153 ? -0.48887  -19.33517 -34.23648 1.000 18.86691  ? 160 TYR A CA  1 
ATOM   1118 C C   . TYR A 1 153 ? -0.53559  -19.87664 -32.81159 1.000 19.71246  ? 160 TYR A C   1 
ATOM   1119 O O   . TYR A 1 153 ? -1.27465  -19.37142 -31.95953 1.000 18.20837  ? 160 TYR A O   1 
ATOM   1120 C CB  . TYR A 1 153 ? 0.67369   -18.34053 -34.37442 1.000 18.92650  ? 160 TYR A CB  1 
ATOM   1121 C CG  . TYR A 1 153 ? 1.10608   -18.17257 -35.81369 1.000 22.98334  ? 160 TYR A CG  1 
ATOM   1122 C CD1 . TYR A 1 153 ? 1.99617   -19.05703 -36.37568 1.000 24.15034  ? 160 TYR A CD1 1 
ATOM   1123 C CD2 . TYR A 1 153 ? 0.59036   -17.15103 -36.61655 1.000 28.41094  ? 160 TYR A CD2 1 
ATOM   1124 C CE1 . TYR A 1 153 ? 2.40458   -18.94669 -37.69669 1.000 28.72709  ? 160 TYR A CE1 1 
ATOM   1125 C CE2 . TYR A 1 153 ? 0.98519   -17.02673 -37.95900 1.000 32.64751  ? 160 TYR A CE2 1 
ATOM   1126 C CZ  . TYR A 1 153 ? 1.89259   -17.93183 -38.48393 1.000 37.02295  ? 160 TYR A CZ  1 
ATOM   1127 O OH  . TYR A 1 153 ? 2.31389   -17.83966 -39.79359 1.000 38.97342  ? 160 TYR A OH  1 
ATOM   1128 N N   . ALA A 1 154 ? 0.31009   -20.87394 -32.54673 1.000 19.56673  ? 161 ALA A N   1 
ATOM   1129 C CA  . ALA A 1 154 ? 0.53410   -21.40572 -31.19927 1.000 17.59597  ? 161 ALA A CA  1 
ATOM   1130 C C   . ALA A 1 154 ? 2.00397   -21.23578 -30.83309 1.000 19.19908  ? 161 ALA A C   1 
ATOM   1131 O O   . ALA A 1 154 ? 2.87957   -21.73615 -31.55250 1.000 20.88132  ? 161 ALA A O   1 
ATOM   1132 C CB  . ALA A 1 154 ? 0.16356   -22.89025 -31.13268 1.000 20.95244  ? 161 ALA A CB  1 
ATOM   1133 N N   . TRP A 1 155 ? 2.25535   -20.55328 -29.71929 1.000 16.85111  ? 162 TRP A N   1 
ATOM   1134 C CA  . TRP A 1 155 ? 3.56103   -20.46194 -29.07655 1.000 17.08176  ? 162 TRP A CA  1 
ATOM   1135 C C   . TRP A 1 155 ? 3.57585   -21.41764 -27.88493 1.000 18.07570  ? 162 TRP A C   1 
ATOM   1136 O O   . TRP A 1 155 ? 2.55340   -21.60564 -27.22017 1.000 18.56023  ? 162 TRP A O   1 
ATOM   1137 C CB  . TRP A 1 155 ? 3.77877   -19.00267 -28.64029 1.000 16.93105  ? 162 TRP A CB  1 
ATOM   1138 C CG  . TRP A 1 155 ? 5.01885   -18.63139 -27.85737 1.000 15.90632  ? 162 TRP A CG  1 
ATOM   1139 C CD1 . TRP A 1 155 ? 6.10192   -17.93307 -28.33881 1.000 15.67625  ? 162 TRP A CD1 1 
ATOM   1140 C CD2 . TRP A 1 155 ? 5.26916   -18.85243 -26.45967 1.000 15.48128  ? 162 TRP A CD2 1 
ATOM   1141 N NE1 . TRP A 1 155 ? 6.99915   -17.71988 -27.33015 1.000 15.84926  ? 162 TRP A NE1 1 
ATOM   1142 C CE2 . TRP A 1 155 ? 6.50860   -18.24972 -26.16338 1.000 16.40313  ? 162 TRP A CE2 1 
ATOM   1143 C CE3 . TRP A 1 155 ? 4.55074   -19.47090 -25.41624 1.000 15.51932  ? 162 TRP A CE3 1 
ATOM   1144 C CZ2 . TRP A 1 155 ? 7.08343   -18.29984 -24.88240 1.000 17.69468  ? 162 TRP A CZ2 1 
ATOM   1145 C CZ3 . TRP A 1 155 ? 5.12666   -19.50302 -24.12507 1.000 16.68928  ? 162 TRP A CZ3 1 
ATOM   1146 C CH2 . TRP A 1 155 ? 6.37824   -18.91934 -23.88394 1.000 17.24576  ? 162 TRP A CH2 1 
ATOM   1147 N N   . GLU A 1 156 ? 4.72541   -22.03432 -27.60576 1.000 17.30856  ? 163 GLU A N   1 
ATOM   1148 C CA  . GLU A 1 156 ? 4.78065   -22.90783 -26.43911 1.000 15.38110  ? 163 GLU A CA  1 
ATOM   1149 C C   . GLU A 1 156 ? 6.18279   -22.94144 -25.86116 1.000 16.10495  ? 163 GLU A C   1 
ATOM   1150 O O   . GLU A 1 156 ? 7.16819   -22.93861 -26.61326 1.000 16.91762  ? 163 GLU A O   1 
ATOM   1151 C CB  . GLU A 1 156 ? 4.36622   -24.32023 -26.81011 1.000 22.55688  ? 163 GLU A CB  1 
ATOM   1152 C CG  . GLU A 1 156 ? 4.07781   -25.23123 -25.65242 1.000 25.05832  ? 163 GLU A CG  1 
ATOM   1153 C CD  . GLU A 1 156 ? 3.41981   -26.51053 -26.12629 1.000 36.33384  ? 163 GLU A CD  1 
ATOM   1154 O OE1 . GLU A 1 156 ? 4.09721   -27.31765 -26.81490 1.000 34.22699  ? 163 GLU A OE1 1 
ATOM   1155 O OE2 . GLU A 1 156 ? 2.20054   -26.68503 -25.85227 1.000 34.95903  ? 163 GLU A OE2 1 
ATOM   1156 N N   . SER A 1 157 ? 6.27218   -22.99679 -24.53523 1.000 15.84035  ? 164 SER A N   1 
ATOM   1157 C CA  . SER A 1 157 ? 7.58391   -23.18004 -23.91315 1.000 15.05651  ? 164 SER A CA  1 
ATOM   1158 C C   . SER A 1 157 ? 7.44689   -23.83900 -22.54646 1.000 17.01467  ? 164 SER A C   1 
ATOM   1159 O O   . SER A 1 157 ? 6.54722   -23.49307 -21.76534 1.000 17.05480  ? 164 SER A O   1 
ATOM   1160 C CB  . SER A 1 157 ? 8.34015   -21.85370 -23.74756 1.000 14.96971  ? 164 SER A CB  1 
ATOM   1161 O OG  . SER A 1 157 ? 9.60631   -22.08473 -23.13420 1.000 18.01213  ? 164 SER A OG  1 
ATOM   1162 N N   . SER A 1 158 ? 8.35516   -24.78304 -22.27067 1.000 17.83474  ? 165 SER A N   1 
ATOM   1163 C CA  . SER A 1 158 ? 8.55656   -25.32687 -20.93123 1.000 19.30997  ? 165 SER A CA  1 
ATOM   1164 C C   . SER A 1 158 ? 9.81263   -24.74745 -20.28113 1.000 20.93261  ? 165 SER A C   1 
ATOM   1165 O O   . SER A 1 158 ? 10.43060  -25.39773 -19.41893 1.000 23.79354  ? 165 SER A O   1 
ATOM   1166 C CB  . SER A 1 158 ? 8.63666   -26.85174 -20.98782 1.000 22.51648  ? 165 SER A CB  1 
ATOM   1167 O OG  . SER A 1 158 ? 7.37795   -27.38524 -21.40498 1.000 26.67435  ? 165 SER A OG  1 
ATOM   1168 N N   . ALA A 1 159 ? 10.18836  -23.53627 -20.68438 1.000 19.18684  ? 166 ALA A N   1 
ATOM   1169 C CA  . ALA A 1 159 ? 11.42980  -22.85144 -20.26583 1.000 19.57898  ? 166 ALA A CA  1 
ATOM   1170 C C   . ALA A 1 159 ? 12.59933  -23.70585 -20.77077 1.000 21.34781  ? 166 ALA A C   1 
ATOM   1171 O O   . ALA A 1 159 ? 12.51556  -24.26040 -21.87621 1.000 25.30608  ? 166 ALA A O   1 
ATOM   1172 C CB  . ALA A 1 159 ? 11.38916  -22.57998 -18.77175 1.000 24.31748  ? 166 ALA A CB  1 
ATOM   1173 N N   . GLY A 1 160 ? 13.70152  -23.82489 -20.02912 1.000 24.25640  ? 167 GLY A N   1 
ATOM   1174 C CA  . GLY A 1 160 ? 14.83273  -24.55989 -20.58055 1.000 25.21443  ? 167 GLY A CA  1 
ATOM   1175 C C   . GLY A 1 160 ? 15.50763  -23.91353 -21.77633 1.000 27.04887  ? 167 GLY A C   1 
ATOM   1176 O O   . GLY A 1 160 ? 16.31252  -24.56828 -22.45736 1.000 26.95526  ? 167 GLY A O   1 
ATOM   1177 N N   . GLY A 1 161 ? 15.21817  -22.64560 -22.05137 1.000 18.83620  ? 168 GLY A N   1 
ATOM   1178 C CA  . GLY A 1 161 ? 15.97339  -21.89521 -23.03406 1.000 20.75369  ? 168 GLY A CA  1 
ATOM   1179 C C   . GLY A 1 161 ? 15.37271  -21.80196 -24.41806 1.000 22.44520  ? 168 GLY A C   1 
ATOM   1180 O O   . GLY A 1 161 ? 15.98487  -21.17019 -25.28722 1.000 21.86497  ? 168 GLY A O   1 
ATOM   1181 N N   . SER A 1 162 ? 14.22586  -22.42194 -24.67478 1.000 19.01976  ? 169 SER A N   1 
ATOM   1182 C CA  . SER A 1 162 ? 13.70388  -22.45919 -26.03768 1.000 17.25780  ? 169 SER A CA  1 
ATOM   1183 C C   . SER A 1 162 ? 12.18729  -22.35818 -26.01131 1.000 16.97502  ? 169 SER A C   1 
ATOM   1184 O O   . SER A 1 162 ? 11.53750  -22.63654 -24.99239 1.000 18.76268  ? 169 SER A O   1 
ATOM   1185 C CB  . SER A 1 162 ? 14.11150  -23.73431 -26.79455 1.000 22.46503  ? 169 SER A CB  1 
ATOM   1186 O OG  . SER A 1 162 ? 13.46698  -24.87674 -26.23496 1.000 22.93139  ? 169 SER A OG  1 
ATOM   1187 N N   . PHE A 1 163 ? 11.64413  -21.94102 -27.15101 1.000 16.94783  ? 170 PHE A N   1 
ATOM   1188 C CA  . PHE A 1 163 ? 10.19495  -21.91334 -27.36002 1.000 15.27058  ? 170 PHE A CA  1 
ATOM   1189 C C   . PHE A 1 163 ? 9.92434   -22.34830 -28.79372 1.000 17.03984  ? 170 PHE A C   1 
ATOM   1190 O O   . PHE A 1 163 ? 10.80797  -22.32757 -29.65288 1.000 20.49051  ? 170 PHE A O   1 
ATOM   1191 C CB  . PHE A 1 163 ? 9.57092   -20.52506 -27.07891 1.000 17.13388  ? 170 PHE A CB  1 
ATOM   1192 C CG  . PHE A 1 163 ? 10.05316  -19.41542 -27.98612 1.000 14.31169  ? 170 PHE A CG  1 
ATOM   1193 C CD1 . PHE A 1 163 ? 11.17809  -18.66359 -27.65352 1.000 19.94512  ? 170 PHE A CD1 1 
ATOM   1194 C CD2 . PHE A 1 163 ? 9.35994   -19.11173 -29.16866 1.000 17.96389  ? 170 PHE A CD2 1 
ATOM   1195 C CE1 . PHE A 1 163 ? 11.62798  -17.60625 -28.47527 1.000 19.13091  ? 170 PHE A CE1 1 
ATOM   1196 C CE2 . PHE A 1 163 ? 9.80155   -18.08313 -30.00929 1.000 19.07632  ? 170 PHE A CE2 1 
ATOM   1197 C CZ  . PHE A 1 163 ? 10.93594  -17.31324 -29.65440 1.000 17.26570  ? 170 PHE A CZ  1 
ATOM   1198 N N   . THR A 1 164 ? 8.68013   -22.77537 -29.04831 1.000 17.21253  ? 171 THR A N   1 
ATOM   1199 C CA  . THR A 1 164 ? 8.30168   -23.19592 -30.38786 1.000 16.99601  ? 171 THR A CA  1 
ATOM   1200 C C   . THR A 1 164 ? 7.15766   -22.32935 -30.87203 1.000 16.33333  ? 171 THR A C   1 
ATOM   1201 O O   . THR A 1 164 ? 6.37499   -21.81212 -30.06659 1.000 16.25770  ? 171 THR A O   1 
ATOM   1202 C CB  . THR A 1 164 ? 7.86642   -24.67380 -30.46907 1.000 19.37658  ? 171 THR A CB  1 
ATOM   1203 O OG1 . THR A 1 164 ? 6.73646   -24.89910 -29.62109 1.000 23.62131  ? 171 THR A OG1 1 
ATOM   1204 C CG2 . THR A 1 164 ? 9.01239   -25.63236 -30.09879 1.000 21.74966  ? 171 THR A CG2 1 
ATOM   1205 N N   . VAL A 1 165 ? 7.09845   -22.15718 -32.19070 1.000 18.29307  ? 172 VAL A N   1 
ATOM   1206 C CA  . VAL A 1 165 ? 5.97267   -21.48448 -32.83274 1.000 22.11795  ? 172 VAL A CA  1 
ATOM   1207 C C   . VAL A 1 165 ? 5.50322   -22.35064 -33.99586 1.000 23.25279  ? 172 VAL A C   1 
ATOM   1208 O O   . VAL A 1 165 ? 6.31624   -22.82265 -34.80062 1.000 21.81739  ? 172 VAL A O   1 
ATOM   1209 C CB  . VAL A 1 165 ? 6.33922   -20.06676 -33.31785 1.000 20.30096  ? 172 VAL A CB  1 
ATOM   1210 C CG1 . VAL A 1 165 ? 5.16437   -19.44121 -34.08394 1.000 23.06346  ? 172 VAL A CG1 1 
ATOM   1211 C CG2 . VAL A 1 165 ? 6.78302   -19.16278 -32.16982 1.000 18.33820  ? 172 VAL A CG2 1 
ATOM   1212 N N   . ARG A 1 166 ? 4.18662   -22.55587 -34.08873 1.000 21.19382  ? 173 ARG A N   1 
ATOM   1213 C CA  . ARG A 1 166 ? 3.59834   -23.30964 -35.18696 1.000 23.64461  ? 173 ARG A CA  1 
ATOM   1214 C C   . ARG A 1 166 ? 2.25945   -22.70286 -35.57484 1.000 23.88202  ? 173 ARG A C   1 
ATOM   1215 O O   . ARG A 1 166 ? 1.61156   -22.04124 -34.76281 1.000 21.82258  ? 173 ARG A O   1 
ATOM   1216 C CB  . ARG A 1 166 ? 3.42115   -24.79020 -34.81871 1.000 26.83764  ? 173 ARG A CB  1 
ATOM   1217 C CG  . ARG A 1 166 ? 2.34762   -25.05734 -33.77051 1.000 29.09277  ? 173 ARG A CG  1 
ATOM   1218 C CD  . ARG A 1 166 ? 2.49357   -26.44540 -33.15566 1.000 33.56004  ? 173 ARG A CD  1 
ATOM   1219 N NE  . ARG A 1 166 ? 3.65057   -26.49621 -32.25731 1.000 40.37480  ? 173 ARG A NE  1 
ATOM   1220 C CZ  . ARG A 1 166 ? 4.20563   -27.61212 -31.79424 1.000 51.56871  ? 173 ARG A CZ  1 
ATOM   1221 N NH1 . ARG A 1 166 ? 3.72174   -28.80568 -32.10035 1.000 44.85232  ? 173 ARG A NH1 1 
ATOM   1222 N NH2 . ARG A 1 166 ? 5.28548   -27.52813 -31.01680 1.000 44.95871  ? 173 ARG A NH2 1 
ATOM   1223 N N   . THR A 1 167 ? 1.86289   -22.90968 -36.83530 1.000 26.55332  ? 174 THR A N   1 
ATOM   1224 C CA  . THR A 1 167 ? 0.49152   -22.58491 -37.21598 1.000 25.74302  ? 174 THR A CA  1 
ATOM   1225 C C   . THR A 1 167 ? -0.45761  -23.46137 -36.41975 1.000 27.70856  ? 174 THR A C   1 
ATOM   1226 O O   . THR A 1 167 ? -0.20823  -24.65551 -36.22574 1.000 34.65400  ? 174 THR A O   1 
ATOM   1227 C CB  . THR A 1 167 ? 0.27403   -22.78537 -38.71502 1.000 36.62592  ? 174 THR A CB  1 
ATOM   1228 O OG1 . THR A 1 167 ? 1.25709   -22.03689 -39.43182 1.000 35.78848  ? 174 THR A OG1 1 
ATOM   1229 C CG2 . THR A 1 167 ? -1.11241  -22.30859 -39.12286 1.000 44.51322  ? 174 THR A CG2 1 
ATOM   1230 N N   . ASP A 1 168 ? -1.53894  -22.86140 -35.92858 1.000 27.45626  ? 175 ASP A N   1 
ATOM   1231 C CA  . ASP A 1 168 ? -2.48841  -23.57708 -35.09759 1.000 27.31278  ? 175 ASP A CA  1 
ATOM   1232 C C   . ASP A 1 168 ? -3.64225  -24.05580 -35.95886 1.000 38.83231  ? 175 ASP A C   1 
ATOM   1233 O O   . ASP A 1 168 ? -4.30324  -23.24925 -36.61837 1.000 38.71958  ? 175 ASP A O   1 
ATOM   1234 C CB  . ASP A 1 168 ? -3.00176  -22.69821 -33.96654 1.000 29.81459  ? 175 ASP A CB  1 
ATOM   1235 C CG  . ASP A 1 168 ? -3.84822  -23.46715 -32.97877 1.000 41.93117  ? 175 ASP A CG  1 
ATOM   1236 O OD1 . ASP A 1 168 ? -3.40316  -24.53815 -32.51442 1.000 46.69972  ? 175 ASP A OD1 1 
ATOM   1237 O OD2 . ASP A 1 168 ? -4.95240  -22.99028 -32.65166 1.000 35.65522  ? 175 ASP A OD2 1 
ATOM   1238 N N   . THR A 1 169 ? -3.88069  -25.35772 -35.93150 1.000 46.07044  ? 176 THR A N   1 
ATOM   1239 C CA  . THR A 1 169 ? -4.98408  -25.98377 -36.63546 1.000 60.81319  ? 176 THR A CA  1 
ATOM   1240 C C   . THR A 1 169 ? -6.16358  -26.27583 -35.71732 1.000 55.26603  ? 176 THR A C   1 
ATOM   1241 O O   . THR A 1 169 ? -7.15252  -26.86349 -36.16865 1.000 56.27313  ? 176 THR A O   1 
ATOM   1242 C CB  . THR A 1 169 ? -4.49690  -27.27591 -37.30092 1.000 57.50769  ? 176 THR A CB  1 
ATOM   1243 O OG1 . THR A 1 169 ? -3.62726  -27.97800 -36.39525 1.000 62.96580  ? 176 THR A OG1 1 
ATOM   1244 C CG2 . THR A 1 169 ? -3.72127  -26.93562 -38.56230 1.000 47.51389  ? 176 THR A CG2 1 
ATOM   1245 N N   . GLY A 1 170 ? -6.07967  -25.88138 -34.44962 1.000 52.40324  ? 177 GLY A N   1 
ATOM   1246 C CA  . GLY A 1 170 ? -7.15423  -26.06405 -33.49940 1.000 57.55945  ? 177 GLY A CA  1 
ATOM   1247 C C   . GLY A 1 170 ? -8.36623  -25.20515 -33.82963 1.000 46.84744  ? 177 GLY A C   1 
ATOM   1248 O O   . GLY A 1 170 ? -8.49960  -24.62493 -34.90796 1.000 41.59392  ? 177 GLY A O   1 
ATOM   1249 N N   . GLU A 1 171 ? -9.27792  -25.15034 -32.86778 1.000 44.30943  ? 178 GLU A N   1 
ATOM   1250 C CA  . GLU A 1 171 ? -10.49778 -24.35896 -33.00301 1.000 40.36682  ? 178 GLU A CA  1 
ATOM   1251 C C   . GLU A 1 171 ? -10.17860 -22.90573 -33.35031 1.000 39.40994  ? 178 GLU A C   1 
ATOM   1252 O O   . GLU A 1 171 ? -9.43592  -22.25701 -32.60335 1.000 32.25804  ? 178 GLU A O   1 
ATOM   1253 C CB  . GLU A 1 171 ? -11.29669 -24.43657 -31.69728 1.000 48.16356  ? 178 GLU A CB  1 
ATOM   1254 C CG  . GLU A 1 171 ? -12.78972 -24.39245 -31.89272 1.000 54.54602  ? 178 GLU A CG  1 
ATOM   1255 C CD  . GLU A 1 171 ? -13.33211 -25.61557 -32.59013 1.000 47.33140  ? 178 GLU A CD  1 
ATOM   1256 O OE1 . GLU A 1 171 ? -13.13168 -26.75430 -32.11686 1.000 53.78224  ? 178 GLU A OE1 1 
ATOM   1257 O OE2 . GLU A 1 171 ? -13.87393 -25.42540 -33.68550 1.000 54.26494  ? 178 GLU A OE2 1 
ATOM   1258 N N   . PRO A 1 172 ? -10.67128 -22.37786 -34.47478 1.000 40.33546  ? 179 PRO A N   1 
ATOM   1259 C CA  . PRO A 1 172 ? -10.45230 -20.96138 -34.78743 1.000 35.86740  ? 179 PRO A CA  1 
ATOM   1260 C C   . PRO A 1 172 ? -10.95435 -20.06817 -33.66285 1.000 38.96972  ? 179 PRO A C   1 
ATOM   1261 O O   . PRO A 1 172 ? -12.03358 -20.29761 -33.11238 1.000 40.92160  ? 179 PRO A O   1 
ATOM   1262 C CB  . PRO A 1 172 ? -11.29253 -20.75634 -36.04790 1.000 41.60465  ? 179 PRO A CB  1 
ATOM   1263 C CG  . PRO A 1 172 ? -11.27242 -22.08455 -36.73916 1.000 49.02687  ? 179 PRO A CG  1 
ATOM   1264 C CD  . PRO A 1 172 ? -10.93360 -23.14829 -35.70533 1.000 51.22619  ? 179 PRO A CD  1 
ATOM   1265 N N   . MET A 1 173 ? -10.18669 -19.02050 -33.34388 1.000 30.68762  ? 180 MET A N   1 
ATOM   1266 C CA  . MET A 1 173 ? -10.58165 -18.11744 -32.26580 1.000 25.58963  ? 180 MET A CA  1 
ATOM   1267 C C   . MET A 1 173 ? -11.18591 -16.79359 -32.71347 1.000 37.63274  ? 180 MET A C   1 
ATOM   1268 O O   . MET A 1 173 ? -11.65926 -16.03707 -31.85813 1.000 37.03959  ? 180 MET A O   1 
ATOM   1269 C CB  . MET A 1 173 ? -9.40941  -17.78850 -31.34506 1.000 28.11967  ? 180 MET A CB  1 
ATOM   1270 C CG  . MET A 1 173 ? -8.32951  -18.79810 -31.21110 1.000 50.53492  ? 180 MET A CG  1 
ATOM   1271 S SD  . MET A 1 173 ? -6.96281  -17.92009 -30.44569 1.000 45.77555  ? 180 MET A SD  1 
ATOM   1272 C CE  . MET A 1 173 ? -7.78620  -17.00214 -29.15479 1.000 33.06349  ? 180 MET A CE  1 
ATOM   1273 N N   . GLY A 1 174 ? -11.15383 -16.46466 -33.98893 1.000 31.33601  ? 181 GLY A N   1 
ATOM   1274 C CA  . GLY A 1 174 ? -11.73140 -15.19411 -34.38573 1.000 28.38508  ? 181 GLY A CA  1 
ATOM   1275 C C   . GLY A 1 174 ? -10.73666 -14.06255 -34.23653 1.000 25.84736  ? 181 GLY A C   1 
ATOM   1276 O O   . GLY A 1 174 ? -10.25902 -13.50681 -35.23488 1.000 26.37402  ? 181 GLY A O   1 
ATOM   1277 N N   . ARG A 1 175 ? -10.41290 -13.73239 -32.98506 1.000 22.35296  ? 182 ARG A N   1 
ATOM   1278 C CA  . ARG A 1 175 ? -9.42660  -12.71298 -32.64629 1.000 18.34442  ? 182 ARG A CA  1 
ATOM   1279 C C   . ARG A 1 175 ? -9.16097  -12.77275 -31.15025 1.000 18.24311  ? 182 ARG A C   1 
ATOM   1280 O O   . ARG A 1 175 ? -10.11315 -12.87498 -30.36188 1.000 20.25246  ? 182 ARG A O   1 
ATOM   1281 C CB  . ARG A 1 175 ? -9.92390  -11.30337 -33.02018 1.000 20.94094  ? 182 ARG A CB  1 
ATOM   1282 C CG  . ARG A 1 175 ? -8.85621  -10.22196 -32.79453 1.000 20.90290  ? 182 ARG A CG  1 
ATOM   1283 C CD  . ARG A 1 175 ? -9.45758  -8.81363  -32.66588 1.000 18.98867  ? 182 ARG A CD  1 
ATOM   1284 N NE  . ARG A 1 175 ? -10.39746 -8.72740  -31.54052 1.000 19.65881  ? 182 ARG A NE  1 
ATOM   1285 C CZ  . ARG A 1 175 ? -11.71129 -8.59049  -31.64767 1.000 21.44435  ? 182 ARG A CZ  1 
ATOM   1286 N NH1 . ARG A 1 175 ? -12.32115 -8.57445  -32.82401 1.000 21.50718  ? 182 ARG A NH1 1 
ATOM   1287 N NH2 . ARG A 1 175 ? -12.45255 -8.49935  -30.54144 1.000 20.11974  ? 182 ARG A NH2 1 
ATOM   1288 N N   . GLY A 1 176 ? -7.87700  -12.64407 -30.76487 1.000 19.17299  ? 183 GLY A N   1 
ATOM   1289 C CA  . GLY A 1 176 ? -7.56440  -12.57668 -29.35411 1.000 18.00830  ? 183 GLY A CA  1 
ATOM   1290 C C   . GLY A 1 176 ? -6.44502  -13.51420 -28.99062 1.000 20.61424  ? 183 GLY A C   1 
ATOM   1291 O O   . GLY A 1 176 ? -5.68118  -13.96248 -29.84952 1.000 19.60237  ? 183 GLY A O   1 
ATOM   1292 N N   . THR A 1 177 ? -6.34639  -13.80484 -27.70047 1.000 15.84916  ? 184 THR A N   1 
ATOM   1293 C CA  . THR A 1 177 ? -5.25917  -14.62291 -27.17354 1.000 14.72531  ? 184 THR A CA  1 
ATOM   1294 C C   . THR A 1 177 ? -5.76682  -15.56547 -26.09418 1.000 21.83255  ? 184 THR A C   1 
ATOM   1295 O O   . THR A 1 177 ? -6.61390  -15.19791 -25.26667 1.000 17.98910  ? 184 THR A O   1 
ATOM   1296 C CB  . THR A 1 177 ? -4.14136  -13.72732 -26.62819 1.000 17.05084  ? 184 THR A CB  1 
ATOM   1297 O OG1 . THR A 1 177 ? -3.57718  -12.96261 -27.69481 1.000 20.93036  ? 184 THR A OG1 1 
ATOM   1298 C CG2 . THR A 1 177 ? -3.02922  -14.55451 -25.93910 1.000 20.80867  ? 184 THR A CG2 1 
ATOM   1299 N N   . LYS A 1 178 ? -5.25975  -16.79877 -26.12492 1.000 16.01355  ? 185 LYS A N   1 
ATOM   1300 C CA  . LYS A 1 178 ? -5.56717  -17.81403 -25.12693 1.000 16.81649  ? 185 LYS A CA  1 
ATOM   1301 C C   . LYS A 1 178 ? -4.24940  -18.23414 -24.48245 1.000 17.71837  ? 185 LYS A C   1 
ATOM   1302 O O   . LYS A 1 178 ? -3.35652  -18.70560 -25.18889 1.000 19.59724  ? 185 LYS A O   1 
ATOM   1303 C CB  . LYS A 1 178 ? -6.27069  -18.98733 -25.81996 1.000 22.88408  ? 185 LYS A CB  1 
ATOM   1304 C CG  . LYS A 1 178 ? -6.58149  -20.16708 -25.00116 1.000 32.24248  ? 185 LYS A CG  1 
ATOM   1305 C CD  . LYS A 1 178 ? -7.58050  -21.07853 -25.73922 1.000 31.02851  ? 185 LYS A CD  1 
ATOM   1306 C CE  . LYS A 1 178 ? -7.34527  -21.12800 -27.22441 1.000 38.65244  ? 185 LYS A CE  1 
ATOM   1307 N NZ  . LYS A 1 178 ? -8.40189  -21.97694 -27.87060 1.000 53.14190  ? 185 LYS A NZ  1 
ATOM   1308 N N   . VAL A 1 179 ? -4.11961  -18.05564 -23.16885 1.000 16.49953  ? 186 VAL A N   1 
ATOM   1309 C CA  . VAL A 1 179 ? -2.92483  -18.50138 -22.44093 1.000 14.01848  ? 186 VAL A CA  1 
ATOM   1310 C C   . VAL A 1 179 ? -3.32250  -19.74684 -21.65685 1.000 16.44094  ? 186 VAL A C   1 
ATOM   1311 O O   . VAL A 1 179 ? -4.15712  -19.67451 -20.74382 1.000 17.98690  ? 186 VAL A O   1 
ATOM   1312 C CB  . VAL A 1 179 ? -2.37482  -17.41494 -21.50627 1.000 16.91511  ? 186 VAL A CB  1 
ATOM   1313 C CG1 . VAL A 1 179 ? -1.19118  -17.99124 -20.66068 1.000 17.86275  ? 186 VAL A CG1 1 
ATOM   1314 C CG2 . VAL A 1 179 ? -1.90644  -16.20692 -22.28223 1.000 17.58296  ? 186 VAL A CG2 1 
ATOM   1315 N N   . ILE A 1 180 ? -2.72810  -20.87775 -22.01335 1.000 16.01397  ? 187 ILE A N   1 
ATOM   1316 C CA  . ILE A 1 180 ? -3.00906  -22.16245 -21.37887 1.000 17.04226  ? 187 ILE A CA  1 
ATOM   1317 C C   . ILE A 1 180 ? -1.87711  -22.45210 -20.41051 1.000 16.65427  ? 187 ILE A C   1 
ATOM   1318 O O   . ILE A 1 180 ? -0.74426  -22.69335 -20.84210 1.000 17.83028  ? 187 ILE A O   1 
ATOM   1319 C CB  . ILE A 1 180 ? -3.14068  -23.29091 -22.40362 1.000 17.86607  ? 187 ILE A CB  1 
ATOM   1320 C CG1 . ILE A 1 180 ? -4.14615  -22.90292 -23.50086 1.000 18.05324  ? 187 ILE A CG1 1 
ATOM   1321 C CG2 . ILE A 1 180 ? -3.52223  -24.59630 -21.69489 1.000 19.69062  ? 187 ILE A CG2 1 
ATOM   1322 C CD1 . ILE A 1 180 ? -4.16583  -23.86556 -24.65677 1.000 27.04300  ? 187 ILE A CD1 1 
ATOM   1323 N N   . LEU A 1 181 ? -2.18663  -22.46779 -19.11741 1.000 14.60281  ? 188 LEU A N   1 
ATOM   1324 C CA  . LEU A 1 181 ? -1.18748  -22.75452 -18.09141 1.000 15.75030  ? 188 LEU A CA  1 
ATOM   1325 C C   . LEU A 1 181 ? -1.28097  -24.23198 -17.73964 1.000 19.60280  ? 188 LEU A C   1 
ATOM   1326 O O   . LEU A 1 181 ? -2.27175  -24.66700 -17.14933 1.000 20.27928  ? 188 LEU A O   1 
ATOM   1327 C CB  . LEU A 1 181 ? -1.40060  -21.90198 -16.84606 1.000 15.32409  ? 188 LEU A CB  1 
ATOM   1328 C CG  . LEU A 1 181 ? -1.51016  -20.40579 -17.07217 1.000 18.22262  ? 188 LEU A CG  1 
ATOM   1329 C CD1 . LEU A 1 181 ? -1.85931  -19.70302 -15.75040 1.000 19.31111  ? 188 LEU A CD1 1 
ATOM   1330 C CD2 . LEU A 1 181 ? -0.18289  -19.90958 -17.62909 1.000 19.95211  ? 188 LEU A CD2 1 
ATOM   1331 N N   . HIS A 1 182 ? -0.23775  -24.99331 -18.05861 1.000 18.14309  ? 189 HIS A N   1 
ATOM   1332 C CA  . HIS A 1 182 ? -0.12815  -26.39356 -17.63759 1.000 19.26839  ? 189 HIS A CA  1 
ATOM   1333 C C   . HIS A 1 182 ? 0.47878   -26.37511 -16.23913 1.000 20.59832  ? 189 HIS A C   1 
ATOM   1334 O O   . HIS A 1 182 ? 1.68543   -26.19822 -16.08143 1.000 20.40076  ? 189 HIS A O   1 
ATOM   1335 C CB  . HIS A 1 182 ? 0.71756   -27.17628 -18.64201 1.000 20.88185  ? 189 HIS A CB  1 
ATOM   1336 C CG  . HIS A 1 182 ? 0.25529   -27.02143 -20.06371 1.000 23.63655  ? 189 HIS A CG  1 
ATOM   1337 N ND1 . HIS A 1 182 ? -0.50829  -27.97910 -20.70595 1.000 29.45052  ? 189 HIS A ND1 1 
ATOM   1338 C CD2 . HIS A 1 182 ? 0.37459   -25.98949 -20.93602 1.000 25.34917  ? 189 HIS A CD2 1 
ATOM   1339 C CE1 . HIS A 1 182 ? -0.78806  -27.56573 -21.93109 1.000 26.61792  ? 189 HIS A CE1 1 
ATOM   1340 N NE2 . HIS A 1 182 ? -0.26427  -26.36236 -22.09679 1.000 29.46156  ? 189 HIS A NE2 1 
ATOM   1341 N N   . LEU A 1 183 ? -0.35819  -26.50879 -15.21491 1.000 19.26406  ? 190 LEU A N   1 
ATOM   1342 C CA  . LEU A 1 183 ? 0.08050   -26.18756 -13.85613 1.000 20.51876  ? 190 LEU A CA  1 
ATOM   1343 C C   . LEU A 1 183 ? 1.02472   -27.23864 -13.28947 1.000 24.41341  ? 190 LEU A C   1 
ATOM   1344 O O   . LEU A 1 183 ? 0.91413   -28.43299 -13.58322 1.000 23.41499  ? 190 LEU A O   1 
ATOM   1345 C CB  . LEU A 1 183 ? -1.12851  -26.04286 -12.93319 1.000 19.82402  ? 190 LEU A CB  1 
ATOM   1346 C CG  . LEU A 1 183 ? -2.06413  -24.85841 -13.20442 1.000 18.83473  ? 190 LEU A CG  1 
ATOM   1347 C CD1 . LEU A 1 183 ? -3.20858  -24.87846 -12.18556 1.000 20.00956  ? 190 LEU A CD1 1 
ATOM   1348 C CD2 . LEU A 1 183 ? -1.32485  -23.54037 -13.10174 1.000 23.52090  ? 190 LEU A CD2 1 
ATOM   1349 N N   . LYS A 1 184 ? 1.96073   -26.77691 -12.44921 1.000 22.31694  ? 191 LYS A N   1 
ATOM   1350 C CA  . LYS A 1 184 ? 2.80202   -27.67462 -11.66373 1.000 25.30986  ? 191 LYS A CA  1 
ATOM   1351 C C   . LYS A 1 184 ? 1.94113   -28.48607 -10.69889 1.000 25.79840  ? 191 LYS A C   1 
ATOM   1352 O O   . LYS A 1 184 ? 0.86496   -28.05257 -10.28551 1.000 26.53723  ? 191 LYS A O   1 
ATOM   1353 C CB  . LYS A 1 184 ? 3.85641   -26.88469 -10.87653 1.000 25.89239  ? 191 LYS A CB  1 
ATOM   1354 C CG  . LYS A 1 184 ? 4.79713   -26.02640 -11.71471 1.000 28.67222  ? 191 LYS A CG  1 
ATOM   1355 C CD  . LYS A 1 184 ? 5.69667   -25.18773 -10.80119 1.000 30.39063  ? 191 LYS A CD  1 
ATOM   1356 C CE  . LYS A 1 184 ? 6.14279   -23.87319 -11.43732 1.000 34.72165  ? 191 LYS A CE  1 
ATOM   1357 N NZ  . LYS A 1 184 ? 7.26823   -23.22142 -10.65432 1.000 38.57579  ? 191 LYS A NZ  1 
ATOM   1358 N N   . GLU A 1 185 ? 2.41892   -29.68459 -10.34975 1.000 29.10875  ? 192 GLU A N   1 
ATOM   1359 C CA  . GLU A 1 185 ? 1.56653   -30.60337 -9.60186  1.000 32.59287  ? 192 GLU A CA  1 
ATOM   1360 C C   . GLU A 1 185 ? 1.18395   -30.04930 -8.23659  1.000 32.25256  ? 192 GLU A C   1 
ATOM   1361 O O   . GLU A 1 185 ? 0.12339   -30.40128 -7.71029  1.000 33.61236  ? 192 GLU A O   1 
ATOM   1362 C CB  . GLU A 1 185 ? 2.24788   -31.96614 -9.46705  1.000 36.33056  ? 192 GLU A CB  1 
ATOM   1363 C CG  . GLU A 1 185 ? 3.53080   -31.92457 -8.65630  1.000 53.99187  ? 192 GLU A CG  1 
ATOM   1364 C CD  . GLU A 1 185 ? 4.02110   -33.30063 -8.25697  1.000 75.11032  ? 192 GLU A CD  1 
ATOM   1365 O OE1 . GLU A 1 185 ? 3.34452   -34.29861 -8.59249  1.000 78.79580  ? 192 GLU A OE1 1 
ATOM   1366 O OE2 . GLU A 1 185 ? 5.08649   -33.37760 -7.60497  1.000 77.16265  ? 192 GLU A OE2 1 
ATOM   1367 N N   . ASP A 1 186 ? 2.00797   -29.17871 -7.64979  1.000 30.57597  ? 193 ASP A N   1 
ATOM   1368 C CA  . ASP A 1 186 ? 1.70692   -28.62396 -6.33351  1.000 30.58651  ? 193 ASP A CA  1 
ATOM   1369 C C   . ASP A 1 186 ? 0.99309   -27.27070 -6.39371  1.000 30.20260  ? 193 ASP A C   1 
ATOM   1370 O O   . ASP A 1 186 ? 0.81909   -26.62864 -5.34868  1.000 25.52246  ? 193 ASP A O   1 
ATOM   1371 C CB  . ASP A 1 186 ? 2.97762   -28.52014 -5.48150  1.000 32.01032  ? 193 ASP A CB  1 
ATOM   1372 C CG  . ASP A 1 186 ? 4.06428   -27.66755 -6.11230  1.000 37.49904  ? 193 ASP A CG  1 
ATOM   1373 O OD1 . ASP A 1 186 ? 3.93919   -27.26584 -7.28792  1.000 44.39973  ? 193 ASP A OD1 1 
ATOM   1374 O OD2 . ASP A 1 186 ? 5.07339   -27.40805 -5.41785  1.000 49.83287  ? 193 ASP A OD2 1 
ATOM   1375 N N   . GLN A 1 187 ? 0.54088   -26.84839 -7.57220  1.000 23.76803  ? 194 GLN A N   1 
ATOM   1376 C CA  . GLN A 1 187 ? -0.11228  -25.55771 -7.76004  1.000 21.07490  ? 194 GLN A CA  1 
ATOM   1377 C C   . GLN A 1 187 ? -1.56481  -25.71965 -8.21496  1.000 20.78667  ? 194 GLN A C   1 
ATOM   1378 O O   . GLN A 1 187 ? -2.13696  -24.82857 -8.84875  1.000 22.51614  ? 194 GLN A O   1 
ATOM   1379 C CB  . GLN A 1 187 ? 0.68458   -24.69309 -8.74438  1.000 22.58756  ? 194 GLN A CB  1 
ATOM   1380 C CG  . GLN A 1 187 ? 2.13217   -24.46042 -8.27389  1.000 23.08670  ? 194 GLN A CG  1 
ATOM   1381 C CD  . GLN A 1 187 ? 2.20027   -23.76830 -6.92368  1.000 26.12329  ? 194 GLN A CD  1 
ATOM   1382 O OE1 . GLN A 1 187 ? 1.36248   -22.91668 -6.61822  1.000 28.35026  ? 194 GLN A OE1 1 
ATOM   1383 N NE2 . GLN A 1 187 ? 3.20683   -24.10462 -6.12459  1.000 28.28903  ? 194 GLN A NE2 1 
ATOM   1384 N N   . THR A 1 188 ? -2.19296  -26.84510 -7.88001  1.000 26.42500  ? 195 THR A N   1 
ATOM   1385 C CA  . THR A 1 188 ? -3.55649  -27.07684 -8.35819  1.000 29.16861  ? 195 THR A CA  1 
ATOM   1386 C C   . THR A 1 188 ? -4.60726  -26.28556 -7.58806  1.000 27.51798  ? 195 THR A C   1 
ATOM   1387 O O   . THR A 1 188 ? -5.78651  -26.29966 -7.97962  1.000 26.15777  ? 195 THR A O   1 
ATOM   1388 C CB  . THR A 1 188 ? -3.90826  -28.57150 -8.31041  1.000 29.90158  ? 195 THR A CB  1 
ATOM   1389 O OG1 . THR A 1 188 ? -3.82379  -29.05802 -6.96014  1.000 31.25371  ? 195 THR A OG1 1 
ATOM   1390 C CG2 . THR A 1 188 ? -2.99453  -29.37818 -9.23265  1.000 28.63106  ? 195 THR A CG2 1 
ATOM   1391 N N   . GLU A 1 189 ? -4.21669  -25.57192 -6.53255  1.000 22.98525  ? 196 GLU A N   1 
ATOM   1392 C CA  . GLU A 1 189 ? -5.15643  -24.66229 -5.88445  1.000 22.06576  ? 196 GLU A CA  1 
ATOM   1393 C C   . GLU A 1 189 ? -5.73003  -23.64225 -6.85807  1.000 22.38279  ? 196 GLU A C   1 
ATOM   1394 O O   . GLU A 1 189 ? -6.83345  -23.13021 -6.62511  1.000 23.27948  ? 196 GLU A O   1 
ATOM   1395 C CB  . GLU A 1 189 ? -4.48060  -23.95919 -4.70491  1.000 23.81735  ? 196 GLU A CB  1 
ATOM   1396 C CG  . GLU A 1 189 ? -3.51181  -22.84129 -5.06554  1.000 24.98955  ? 196 GLU A CG  1 
ATOM   1397 C CD  . GLU A 1 189 ? -2.70954  -22.38739 -3.86572  1.000 31.47266  ? 196 GLU A CD  1 
ATOM   1398 O OE1 . GLU A 1 189 ? -1.81931  -23.15966 -3.41774  1.000 32.05752  ? 196 GLU A OE1 1 
ATOM   1399 O OE2 . GLU A 1 189 ? -2.99600  -21.28609 -3.32659  1.000 29.72084  ? 196 GLU A OE2 1 
ATOM   1400 N N   . TYR A 1 190 ? -5.00657  -23.32163 -7.92644  1.000 19.60912  ? 197 TYR A N   1 
ATOM   1401 C CA  . TYR A 1 190 ? -5.47719  -22.30467 -8.86339  1.000 20.59079  ? 197 TYR A CA  1 
ATOM   1402 C C   . TYR A 1 190 ? -6.45894  -22.85450 -9.87116  1.000 22.16437  ? 197 TYR A C   1 
ATOM   1403 O O   . TYR A 1 190 ? -6.80952  -22.13638 -10.81405 1.000 23.32627  ? 197 TYR A O   1 
ATOM   1404 C CB  . TYR A 1 190 ? -4.28155  -21.64110 -9.56616  1.000 20.67852  ? 197 TYR A CB  1 
ATOM   1405 C CG  . TYR A 1 190 ? -3.36166  -21.01003 -8.53652  1.000 20.24211  ? 197 TYR A CG  1 
ATOM   1406 C CD1 . TYR A 1 190 ? -3.76938  -19.88792 -7.80309  1.000 20.59597  ? 197 TYR A CD1 1 
ATOM   1407 C CD2 . TYR A 1 190 ? -2.12460  -21.57624 -8.22585  1.000 20.14153  ? 197 TYR A CD2 1 
ATOM   1408 C CE1 . TYR A 1 190 ? -2.97179  -19.32222 -6.83550  1.000 23.07149  ? 197 TYR A CE1 1 
ATOM   1409 C CE2 . TYR A 1 190 ? -1.31171  -21.00758 -7.24784  1.000 20.61385  ? 197 TYR A CE2 1 
ATOM   1410 C CZ  . TYR A 1 190 ? -1.73907  -19.87472 -6.55274  1.000 20.50584  ? 197 TYR A CZ  1 
ATOM   1411 O OH  . TYR A 1 190 ? -0.95525  -19.32220 -5.56120  1.000 25.00223  ? 197 TYR A OH  1 
ATOM   1412 N N   . LEU A 1 191 ? -6.88162  -24.11100 -9.70761  1.000 20.43891  ? 198 LEU A N   1 
ATOM   1413 C CA  . LEU A 1 191 ? -8.04815  -24.64464 -10.40804 1.000 20.54045  ? 198 LEU A CA  1 
ATOM   1414 C C   . LEU A 1 191 ? -9.31240  -24.59735 -9.58374  1.000 26.27396  ? 198 LEU A C   1 
ATOM   1415 O O   . LEU A 1 191 ? -10.37459 -24.96622 -10.09589 1.000 28.00704  ? 198 LEU A O   1 
ATOM   1416 C CB  . LEU A 1 191 ? -7.82204  -26.09232 -10.83179 1.000 21.71220  ? 198 LEU A CB  1 
ATOM   1417 C CG  . LEU A 1 191 ? -6.53020  -26.30276 -11.59958 1.000 20.50941  ? 198 LEU A CG  1 
ATOM   1418 C CD1 . LEU A 1 191 ? -6.29996  -27.78261 -11.87159 1.000 29.13173  ? 198 LEU A CD1 1 
ATOM   1419 C CD2 . LEU A 1 191 ? -6.65778  -25.52846 -12.90963 1.000 26.79661  ? 198 LEU A CD2 1 
ATOM   1420 N N   . GLU A 1 192 ? -9.21594  -24.21674 -8.31707  1.000 21.19342  ? 199 GLU A N   1 
ATOM   1421 C CA  . GLU A 1 192 ? -10.35864 -24.24401 -7.40720  1.000 21.78870  ? 199 GLU A CA  1 
ATOM   1422 C C   . GLU A 1 192 ? -11.15385 -22.94846 -7.52321  1.000 25.55394  ? 199 GLU A C   1 
ATOM   1423 O O   . GLU A 1 192 ? -10.57768 -21.85033 -7.50430  1.000 25.61965  ? 199 GLU A O   1 
ATOM   1424 C CB  . GLU A 1 192 ? -9.86727  -24.43591 -5.97117  1.000 25.72690  ? 199 GLU A CB  1 
ATOM   1425 C CG  . GLU A 1 192 ? -9.24152  -25.79129 -5.67652  1.000 31.89164  ? 199 GLU A CG  1 
ATOM   1426 C CD  . GLU A 1 192 ? -10.22811 -26.94009 -5.79986  1.000 63.62914  ? 199 GLU A CD  1 
ATOM   1427 O OE1 . GLU A 1 192 ? -11.42552 -26.74488 -5.47308  1.000 66.04860  ? 199 GLU A OE1 1 
ATOM   1428 O OE2 . GLU A 1 192 ? -9.80079  -28.04731 -6.19790  1.000 71.57411  ? 199 GLU A OE2 1 
ATOM   1429 N N   . GLU A 1 193 ? -12.47933 -23.07840 -7.65725  1.000 25.06378  ? 200 GLU A N   1 
ATOM   1430 C CA  . GLU A 1 193 ? -13.31812 -21.90841 -7.90802  1.000 24.13581  ? 200 GLU A CA  1 
ATOM   1431 C C   . GLU A 1 193 ? -13.13490 -20.85215 -6.81882  1.000 21.10960  ? 200 GLU A C   1 
ATOM   1432 O O   . GLU A 1 193 ? -12.95725 -19.65909 -7.10582  1.000 21.15277  ? 200 GLU A O   1 
ATOM   1433 C CB  . GLU A 1 193 ? -14.79114 -22.32596 -7.99577  1.000 26.30967  ? 200 GLU A CB  1 
ATOM   1434 C CG  . GLU A 1 193 ? -15.69572 -21.18269 -8.39885  1.000 27.70025  ? 200 GLU A CG  1 
ATOM   1435 C CD  . GLU A 1 193 ? -17.17871 -21.55019 -8.43679  1.000 54.66431  ? 200 GLU A CD  1 
ATOM   1436 O OE1 . GLU A 1 193 ? -17.55156 -22.63574 -7.94583  1.000 38.24424  ? 200 GLU A OE1 1 
ATOM   1437 O OE2 . GLU A 1 193 ? -17.97072 -20.75228 -8.98211  1.000 52.39441  ? 200 GLU A OE2 1 
ATOM   1438 N N   . ARG A 1 194 ? -13.18079 -21.27028 -5.55302  1.000 26.97672  ? 201 ARG A N   1 
ATOM   1439 C CA  . ARG A 1 194 ? -13.12516 -20.27045 -4.49436  1.000 22.61092  ? 201 ARG A CA  1 
ATOM   1440 C C   . ARG A 1 194 ? -11.77813 -19.55651 -4.47201  1.000 25.28854  ? 201 ARG A C   1 
ATOM   1441 O O   . ARG A 1 194 ? -11.72492 -18.36630 -4.14829  1.000 24.34971  ? 201 ARG A O   1 
ATOM   1442 C CB  . ARG A 1 194 ? -13.45304 -20.91698 -3.14567  1.000 26.27372  ? 201 ARG A CB  1 
ATOM   1443 C CG  . ARG A 1 194 ? -12.31745 -21.57538 -2.47029  1.000 35.35511  ? 201 ARG A CG  1 
ATOM   1444 C CD  . ARG A 1 194 ? -12.85591 -22.33527 -1.27966  1.000 39.30668  ? 201 ARG A CD  1 
ATOM   1445 N NE  . ARG A 1 194 ? -11.94184 -23.37648 -0.84592  1.000 53.37004  ? 201 ARG A NE  1 
ATOM   1446 C CZ  . ARG A 1 194 ? -12.00350 -23.93586 0.35338   1.000 42.55854  ? 201 ARG A CZ  1 
ATOM   1447 N NH1 . ARG A 1 194 ? -12.97716 -23.63622 1.19759   1.000 50.50059  ? 201 ARG A NH1 1 
ATOM   1448 N NH2 . ARG A 1 194 ? -11.06550 -24.80994 0.71220   1.000 55.84817  ? 201 ARG A NH2 1 
ATOM   1449 N N   . ARG A 1 195 ? -10.69283 -20.24764 -4.85132  1.000 21.49165  ? 202 ARG A N   1 
ATOM   1450 C CA  . ARG A 1 195 ? -9.37580  -19.61298 -4.86991  1.000 22.21735  ? 202 ARG A CA  1 
ATOM   1451 C C   . ARG A 1 195 ? -9.27085  -18.60731 -6.01165  1.000 21.07913  ? 202 ARG A C   1 
ATOM   1452 O O   . ARG A 1 195 ? -8.77592  -17.48709 -5.81895  1.000 20.53440  ? 202 ARG A O   1 
ATOM   1453 C CB  . ARG A 1 195 ? -8.28876  -20.68519 -4.98027  1.000 22.32048  ? 202 ARG A CB  1 
ATOM   1454 C CG  . ARG A 1 195 ? -6.86608  -20.16635 -4.97272  1.000 20.01124  ? 202 ARG A CG  1 
ATOM   1455 C CD  . ARG A 1 195 ? -6.51754  -19.60625 -3.59806  1.000 24.14796  ? 202 ARG A CD  1 
ATOM   1456 N NE  . ARG A 1 195 ? -5.08098  -19.38568 -3.51208  1.000 23.88312  ? 202 ARG A NE  1 
ATOM   1457 C CZ  . ARG A 1 195 ? -4.50242  -18.20555 -3.34033  1.000 25.83955  ? 202 ARG A CZ  1 
ATOM   1458 N NH1 . ARG A 1 195 ? -5.20936  -17.10693 -3.13058  1.000 23.93093  ? 202 ARG A NH1 1 
ATOM   1459 N NH2 . ARG A 1 195 ? -3.17529  -18.12708 -3.38241  1.000 23.70195  ? 202 ARG A NH2 1 
ATOM   1460 N N   . ILE A 1 196 ? -9.73476  -18.98365 -7.20587  1.000 19.61969  ? 203 ILE A N   1 
ATOM   1461 C CA  . ILE A 1 196 ? -9.68934  -18.05785 -8.33592  1.000 19.86559  ? 203 ILE A CA  1 
ATOM   1462 C C   . ILE A 1 196 ? -10.53042 -16.82345 -8.03231  1.000 20.43007  ? 203 ILE A C   1 
ATOM   1463 O O   . ILE A 1 196 ? -10.09679 -15.68828 -8.27287  1.000 19.41519  ? 203 ILE A O   1 
ATOM   1464 C CB  . ILE A 1 196 ? -10.15272 -18.74093 -9.63531  1.000 19.72221  ? 203 ILE A CB  1 
ATOM   1465 C CG1 . ILE A 1 196 ? -9.23719  -19.91515 -10.01044 1.000 18.52400  ? 203 ILE A CG1 1 
ATOM   1466 C CG2 . ILE A 1 196 ? -10.25133 -17.69411 -10.76036 1.000 20.42316  ? 203 ILE A CG2 1 
ATOM   1467 C CD1 . ILE A 1 196 ? -9.88408  -20.88826 -11.00905 1.000 23.66602  ? 203 ILE A CD1 1 
ATOM   1468 N N   . LYS A 1 197 ? -11.75145 -17.02613 -7.49492  1.000 19.58499  ? 204 LYS A N   1 
ATOM   1469 C CA  . LYS A 1 197 ? -12.60925 -15.88861 -7.15993  1.000 19.60635  ? 204 LYS A CA  1 
ATOM   1470 C C   . LYS A 1 197 ? -11.91376 -14.94307 -6.19918  1.000 21.03820  ? 204 LYS A C   1 
ATOM   1471 O O   . LYS A 1 197 ? -11.98800 -13.71801 -6.36619  1.000 22.57918  ? 204 LYS A O   1 
ATOM   1472 C CB  . LYS A 1 197 ? -13.93680 -16.34380 -6.52699  1.000 24.28088  ? 204 LYS A CB  1 
ATOM   1473 C CG  . LYS A 1 197 ? -14.90155 -17.05638 -7.42829  1.000 32.25950  ? 204 LYS A CG  1 
ATOM   1474 C CD  . LYS A 1 197 ? -16.29243 -17.08860 -6.75952  1.000 31.41501  ? 204 LYS A CD  1 
ATOM   1475 C CE  . LYS A 1 197 ? -16.82627 -18.50038 -6.65970  1.000 49.31377  ? 204 LYS A CE  1 
ATOM   1476 N NZ  . LYS A 1 197 ? -18.32227 -18.60858 -6.62593  1.000 54.98171  ? 204 LYS A NZ  1 
ATOM   1477 N N   . GLU A 1 198 ? -11.25060 -15.49963 -5.17441  1.000 18.47808  ? 205 GLU A N   1 
ATOM   1478 C CA  . GLU A 1 198 ? -10.55302 -14.68709 -4.18209  1.000 21.68928  ? 205 GLU A CA  1 
ATOM   1479 C C   . GLU A 1 198 ? -9.48037  -13.83362 -4.83686  1.000 21.75358  ? 205 GLU A C   1 
ATOM   1480 O O   . GLU A 1 198 ? -9.35099  -12.64098 -4.53511  1.000 20.41601  ? 205 GLU A O   1 
ATOM   1481 C CB  . GLU A 1 198 ? -9.92250  -15.58298 -3.10920  1.000 18.95001  ? 205 GLU A CB  1 
ATOM   1482 C CG  . GLU A 1 198 ? -9.06105  -14.83589 -2.11279  1.000 24.50642  ? 205 GLU A CG  1 
ATOM   1483 C CD  . GLU A 1 198 ? -8.34056  -15.78131 -1.16922  1.000 25.57133  ? 205 GLU A CD  1 
ATOM   1484 O OE1 . GLU A 1 198 ? -7.77469  -16.76424 -1.68769  1.000 25.21538  ? 205 GLU A OE1 1 
ATOM   1485 O OE2 . GLU A 1 198 ? -8.33397  -15.55023 0.05746   1.000 24.27672  ? 205 GLU A OE2 1 
ATOM   1486 N N   . ILE A 1 199 ? -8.70300  -14.43297 -5.74016  1.000 18.92338  ? 206 ILE A N   1 
ATOM   1487 C CA  . ILE A 1 199 ? -7.61608  -13.70172 -6.39373  1.000 17.40787  ? 206 ILE A CA  1 
ATOM   1488 C C   . ILE A 1 199 ? -8.16668  -12.61044 -7.29772  1.000 19.71042  ? 206 ILE A C   1 
ATOM   1489 O O   . ILE A 1 199 ? -7.63520  -11.49105 -7.34037  1.000 20.65347  ? 206 ILE A O   1 
ATOM   1490 C CB  . ILE A 1 199 ? -6.74140  -14.68262 -7.18292  1.000 16.65337  ? 206 ILE A CB  1 
ATOM   1491 C CG1 . ILE A 1 199 ? -6.09444  -15.66630 -6.20340  1.000 21.06640  ? 206 ILE A CG1 1 
ATOM   1492 C CG2 . ILE A 1 199 ? -5.68822  -13.92541 -8.02997  1.000 21.46020  ? 206 ILE A CG2 1 
ATOM   1493 C CD1 . ILE A 1 199 ? -5.49830  -16.86434 -6.93736  1.000 23.37674  ? 206 ILE A CD1 1 
ATOM   1494 N N   . VAL A 1 200 ? -9.20032  -12.92839 -8.07009  1.000 19.12948  ? 207 VAL A N   1 
ATOM   1495 C CA  . VAL A 1 200 ? -9.76082  -11.92058 -8.95744  1.000 17.15892  ? 207 VAL A CA  1 
ATOM   1496 C C   . VAL A 1 200 ? -10.29779 -10.74536 -8.14422  1.000 20.31166  ? 207 VAL A C   1 
ATOM   1497 O O   . VAL A 1 200 ? -10.05795 -9.57831  -8.48236  1.000 21.53179  ? 207 VAL A O   1 
ATOM   1498 C CB  . VAL A 1 200 ? -10.84282 -12.54240 -9.85223  1.000 17.97835  ? 207 VAL A CB  1 
ATOM   1499 C CG1 . VAL A 1 200 ? -11.61420 -11.44239 -10.55655 1.000 20.53079  ? 207 VAL A CG1 1 
ATOM   1500 C CG2 . VAL A 1 200 ? -10.19705 -13.55564 -10.84727 1.000 17.88065  ? 207 VAL A CG2 1 
ATOM   1501 N N   . LYS A 1 201 ? -10.97648 -11.03105 -7.02513  1.000 19.32551  ? 208 LYS A N   1 
ATOM   1502 C CA  . LYS A 1 201 ? -11.54218 -9.95636  -6.21499  1.000 20.29819  ? 208 LYS A CA  1 
ATOM   1503 C C   . LYS A 1 201 ? -10.44599 -9.11663  -5.56842  1.000 22.76390  ? 208 LYS A C   1 
ATOM   1504 O O   . LYS A 1 201 ? -10.59544 -7.89574  -5.42203  1.000 26.92408  ? 208 LYS A O   1 
ATOM   1505 C CB  . LYS A 1 201 ? -12.48314 -10.55441 -5.15902  1.000 22.84238  ? 208 LYS A CB  1 
ATOM   1506 C CG  . LYS A 1 201 ? -13.07148 -9.53975  -4.19966  1.000 28.00495  ? 208 LYS A CG  1 
ATOM   1507 C CD  . LYS A 1 201 ? -13.85431 -10.21123 -3.09118  1.000 36.60012  ? 208 LYS A CD  1 
ATOM   1508 C CE  . LYS A 1 201 ? -14.44421 -9.19049  -2.14444  1.000 39.39999  ? 208 LYS A CE  1 
ATOM   1509 N NZ  . LYS A 1 201 ? -15.39752 -9.83311  -1.19913  1.000 49.77969  ? 208 LYS A NZ  1 
ATOM   1510 N N   . LYS A 1 202 ? -9.32827  -9.74620  -5.20971  1.000 21.71934  ? 209 LYS A N   1 
ATOM   1511 C CA  . LYS A 1 202 ? -8.25103  -9.04341  -4.51132  1.000 26.29975  ? 209 LYS A CA  1 
ATOM   1512 C C   . LYS A 1 202 ? -7.45029  -8.14351  -5.44478  1.000 23.74154  ? 209 LYS A C   1 
ATOM   1513 O O   . LYS A 1 202 ? -7.09291  -7.01050  -5.07461  1.000 24.20282  ? 209 LYS A O   1 
ATOM   1514 C CB  . LYS A 1 202 ? -7.31799  -10.06063 -3.86584  1.000 24.96144  ? 209 LYS A CB  1 
ATOM   1515 C CG  . LYS A 1 202 ? -6.11641  -9.46402  -3.16396  1.000 26.80832  ? 209 LYS A CG  1 
ATOM   1516 C CD  . LYS A 1 202 ? -5.47623  -10.50950 -2.27279  1.000 37.66650  ? 209 LYS A CD  1 
ATOM   1517 C CE  . LYS A 1 202 ? -4.17346  -10.01132 -1.66941  1.000 47.91156  ? 209 LYS A CE  1 
ATOM   1518 N NZ  . LYS A 1 202 ? -3.40229  -11.14412 -1.07766  1.000 49.61658  ? 209 LYS A NZ  1 
ATOM   1519 N N   . HIS A 1 203 ? -7.15724  -8.63668  -6.65024  1.000 22.87523  ? 210 HIS A N   1 
ATOM   1520 C CA  . HIS A 1 203 ? -6.17078  -8.00836  -7.50751  1.000 26.59833  ? 210 HIS A CA  1 
ATOM   1521 C C   . HIS A 1 203 ? -6.73010  -7.42221  -8.78941  1.000 24.86129  ? 210 HIS A C   1 
ATOM   1522 O O   . HIS A 1 203 ? -6.01034  -6.65940  -9.44644  1.000 25.70422  ? 210 HIS A O   1 
ATOM   1523 C CB  . HIS A 1 203 ? -5.06767  -9.01576  -7.88262  1.000 24.77842  ? 210 HIS A CB  1 
ATOM   1524 C CG  . HIS A 1 203 ? -4.24424  -9.47402  -6.72000  1.000 27.97240  ? 210 HIS A CG  1 
ATOM   1525 N ND1 . HIS A 1 203 ? -3.42435  -8.62805  -6.00683  1.000 30.71420  ? 210 HIS A ND1 1 
ATOM   1526 C CD2 . HIS A 1 203 ? -4.11446  -10.69488 -6.14714  1.000 30.90232  ? 210 HIS A CD2 1 
ATOM   1527 C CE1 . HIS A 1 203 ? -2.83311  -9.30368  -5.03602  1.000 35.36667  ? 210 HIS A CE1 1 
ATOM   1528 N NE2 . HIS A 1 203 ? -3.23435  -10.56139 -5.10050  1.000 35.18010  ? 210 HIS A NE2 1 
ATOM   1529 N N   . SER A 1 204 ? -7.96488  -7.76527  -9.18985  1.000 25.41706  ? 211 SER A N   1 
ATOM   1530 C CA  . SER A 1 204 ? -8.46859  -7.36517  -10.50083 1.000 22.10868  ? 211 SER A CA  1 
ATOM   1531 C C   . SER A 1 204 ? -9.84204  -6.70096  -10.40220 1.000 22.64972  ? 211 SER A C   1 
ATOM   1532 O O   . SER A 1 204 ? -10.61848 -6.72569  -11.36442 1.000 25.87570  ? 211 SER A O   1 
ATOM   1533 C CB  . SER A 1 204 ? -8.51363  -8.55728  -11.46775 1.000 23.36651  ? 211 SER A CB  1 
ATOM   1534 O OG  . SER A 1 204 ? -7.22165  -9.15230  -11.57290 1.000 28.05888  ? 211 SER A OG  1 
ATOM   1535 N N   . GLN A 1 205 ? -10.12643 -6.05525  -9.27173  1.000 27.22156  ? 212 GLN A N   1 
ATOM   1536 C CA  . GLN A 1 205 ? -11.46039 -5.49428  -9.07779  1.000 37.39055  ? 212 GLN A CA  1 
ATOM   1537 C C   . GLN A 1 205 ? -11.77414 -4.35634  -10.04537 1.000 36.09327  ? 212 GLN A C   1 
ATOM   1538 O O   . GLN A 1 205 ? -12.95473 -4.11556  -10.32415 1.000 40.69626  ? 212 GLN A O   1 
ATOM   1539 C CB  . GLN A 1 205 ? -11.63285 -5.01575  -7.63593  1.000 39.05233  ? 212 GLN A CB  1 
ATOM   1540 C CG  . GLN A 1 205 ? -10.51182 -4.12368  -7.19056  1.000 41.52566  ? 212 GLN A CG  1 
ATOM   1541 C CD  . GLN A 1 205 ? -9.39743  -4.88786  -6.48273  1.000 60.84695  ? 212 GLN A CD  1 
ATOM   1542 O OE1 . GLN A 1 205 ? -8.37041  -5.22445  -7.09084  1.000 41.71019  ? 212 GLN A OE1 1 
ATOM   1543 N NE2 . GLN A 1 205 ? -9.56336  -5.10102  -5.17299  1.000 63.25962  ? 212 GLN A NE2 1 
ATOM   1544 N N   . PHE A 1 206 ? -10.76093 -3.66656  -10.58334 1.000 29.87767  ? 213 PHE A N   1 
ATOM   1545 C CA  . PHE A 1 206 ? -10.99376 -2.51307  -11.44875 1.000 30.66649  ? 213 PHE A CA  1 
ATOM   1546 C C   . PHE A 1 206 ? -10.64599 -2.78500  -12.91333 1.000 27.30305  ? 213 PHE A C   1 
ATOM   1547 O O   . PHE A 1 206 ? -10.33801 -1.85690  -13.66903 1.000 40.36194  ? 213 PHE A O   1 
ATOM   1548 C CB  . PHE A 1 206 ? -10.22057 -1.30418  -10.93672 1.000 35.28868  ? 213 PHE A CB  1 
ATOM   1549 C CG  . PHE A 1 206 ? -10.64675 -0.87262  -9.56478  1.000 44.10731  ? 213 PHE A CG  1 
ATOM   1550 C CD1 . PHE A 1 206 ? -9.77807  -0.97736  -8.48714  1.000 46.07617  ? 213 PHE A CD1 1 
ATOM   1551 C CD2 . PHE A 1 206 ? -11.94392 -0.44194  -9.33754  1.000 40.04288  ? 213 PHE A CD2 1 
ATOM   1552 C CE1 . PHE A 1 206 ? -10.18173 -0.59645  -7.21936  1.000 51.23703  ? 213 PHE A CE1 1 
ATOM   1553 C CE2 . PHE A 1 206 ? -12.34905 -0.05787  -8.07088  1.000 48.72437  ? 213 PHE A CE2 1 
ATOM   1554 C CZ  . PHE A 1 206 ? -11.47019 -0.14271  -7.01278  1.000 45.67142  ? 213 PHE A CZ  1 
ATOM   1555 N N   . ILE A 1 207 ? -10.66240 -4.03810  -13.32620 1.000 21.29677  ? 214 ILE A N   1 
ATOM   1556 C CA  . ILE A 1 207 ? -10.51112 -4.36605  -14.73819 1.000 19.51090  ? 214 ILE A CA  1 
ATOM   1557 C C   . ILE A 1 207 ? -11.82693 -4.07622  -15.45194 1.000 29.99346  ? 214 ILE A C   1 
ATOM   1558 O O   . ILE A 1 207 ? -12.89054 -4.53776  -15.02313 1.000 25.78239  ? 214 ILE A O   1 
ATOM   1559 C CB  . ILE A 1 207 ? -10.07649 -5.83246  -14.90512 1.000 17.62872  ? 214 ILE A CB  1 
ATOM   1560 C CG1 . ILE A 1 207 ? -8.67937  -6.02420  -14.31963 1.000 21.89428  ? 214 ILE A CG1 1 
ATOM   1561 C CG2 . ILE A 1 207 ? -10.06716 -6.24696  -16.37326 1.000 20.36087  ? 214 ILE A CG2 1 
ATOM   1562 C CD1 . ILE A 1 207 ? -7.62107  -5.19941  -15.05152 1.000 25.92520  ? 214 ILE A CD1 1 
ATOM   1563 N N   . GLY A 1 208 ? -11.76026 -3.31058  -16.54455 1.000 22.75847  ? 215 GLY A N   1 
ATOM   1564 C CA  . GLY A 1 208 ? -12.94779 -2.75560  -17.16937 1.000 20.31879  ? 215 GLY A CA  1 
ATOM   1565 C C   . GLY A 1 208 ? -13.59644 -3.62380  -18.23080 1.000 22.85258  ? 215 GLY A C   1 
ATOM   1566 O O   . GLY A 1 208 ? -14.19437 -3.11386  -19.18630 1.000 24.15482  ? 215 GLY A O   1 
ATOM   1567 N N   . TYR A 1 209 ? -13.50201 -4.93371  -18.05986 1.000 19.30323  ? 216 TYR A N   1 
ATOM   1568 C CA  . TYR A 1 209 ? -14.06153 -5.91763  -18.97443 1.000 21.63882  ? 216 TYR A CA  1 
ATOM   1569 C C   . TYR A 1 209 ? -14.65430 -7.02789  -18.13840 1.000 21.62088  ? 216 TYR A C   1 
ATOM   1570 O O   . TYR A 1 209 ? -14.16262 -7.29860  -17.03434 1.000 21.67369  ? 216 TYR A O   1 
ATOM   1571 C CB  . TYR A 1 209 ? -12.98320 -6.49168  -19.91923 1.000 19.83140  ? 216 TYR A CB  1 
ATOM   1572 C CG  . TYR A 1 209 ? -12.39332 -5.40804  -20.77798 1.000 18.30823  ? 216 TYR A CG  1 
ATOM   1573 C CD1 . TYR A 1 209 ? -13.05216 -4.97420  -21.93046 1.000 18.78831  ? 216 TYR A CD1 1 
ATOM   1574 C CD2 . TYR A 1 209 ? -11.18361 -4.79798  -20.44545 1.000 20.80012  ? 216 TYR A CD2 1 
ATOM   1575 C CE1 . TYR A 1 209 ? -12.54556 -3.95369  -22.70898 1.000 22.21999  ? 216 TYR A CE1 1 
ATOM   1576 C CE2 . TYR A 1 209 ? -10.65281 -3.78505  -21.22430 1.000 19.12038  ? 216 TYR A CE2 1 
ATOM   1577 C CZ  . TYR A 1 209 ? -11.34359 -3.36163  -22.36642 1.000 17.90400  ? 216 TYR A CZ  1 
ATOM   1578 O OH  . TYR A 1 209 ? -10.87084 -2.35618  -23.14167 1.000 22.15125  ? 216 TYR A OH  1 
ATOM   1579 N N   . PRO A 1 210 ? -15.69985 -7.70230  -18.62058 1.000 20.00940  ? 217 PRO A N   1 
ATOM   1580 C CA  . PRO A 1 210 ? -16.27486 -8.81535  -17.85439 1.000 19.13181  ? 217 PRO A CA  1 
ATOM   1581 C C   . PRO A 1 210 ? -15.30069 -9.98243  -17.77984 1.000 22.90552  ? 217 PRO A C   1 
ATOM   1582 O O   . PRO A 1 210 ? -14.70037 -10.37907 -18.78710 1.000 23.95612  ? 217 PRO A O   1 
ATOM   1583 C CB  . PRO A 1 210 ? -17.56099 -9.17863  -18.61920 1.000 23.97417  ? 217 PRO A CB  1 
ATOM   1584 C CG  . PRO A 1 210 ? -17.47328 -8.50312  -19.93323 1.000 27.55068  ? 217 PRO A CG  1 
ATOM   1585 C CD  . PRO A 1 210 ? -16.43595 -7.40057  -19.86329 1.000 22.95310  ? 217 PRO A CD  1 
ATOM   1586 N N   . ILE A 1 211 ? -15.12884 -10.50644 -16.56741 1.000 20.00461  ? 218 ILE A N   1 
ATOM   1587 C CA  . ILE A 1 211 ? -14.27276 -11.65739 -16.30304 1.000 16.78053  ? 218 ILE A CA  1 
ATOM   1588 C C   . ILE A 1 211 ? -15.20270 -12.76612 -15.87013 1.000 20.10305  ? 218 ILE A C   1 
ATOM   1589 O O   . ILE A 1 211 ? -15.85128 -12.66409 -14.81452 1.000 22.66640  ? 218 ILE A O   1 
ATOM   1590 C CB  . ILE A 1 211 ? -13.22111 -11.37297 -15.22783 1.000 17.05254  ? 218 ILE A CB  1 
ATOM   1591 C CG1 . ILE A 1 211 ? -12.29995 -10.21809 -15.66565 1.000 16.73349  ? 218 ILE A CG1 1 
ATOM   1592 C CG2 . ILE A 1 211 ? -12.44610 -12.66294 -14.91224 1.000 18.69425  ? 218 ILE A CG2 1 
ATOM   1593 C CD1 . ILE A 1 211 ? -11.44620 -9.69128  -14.50789 1.000 18.45851  ? 218 ILE A CD1 1 
ATOM   1594 N N   . THR A 1 212 ? -15.29639 -13.80477 -16.68682 1.000 17.41111  ? 219 THR A N   1 
ATOM   1595 C CA  . THR A 1 212 ? -16.23861 -14.89298 -16.44310 1.000 15.76470  ? 219 THR A CA  1 
ATOM   1596 C C   . THR A 1 212 ? -15.42630 -16.10072 -16.02048 1.000 16.12054  ? 219 THR A C   1 
ATOM   1597 O O   . THR A 1 212 ? -14.54491 -16.54817 -16.76326 1.000 18.01635  ? 219 THR A O   1 
ATOM   1598 C CB  . THR A 1 212 ? -17.07573 -15.22423 -17.67666 1.000 19.86379  ? 219 THR A CB  1 
ATOM   1599 O OG1 . THR A 1 212 ? -17.88526 -14.09737 -18.04327 1.000 20.97209  ? 219 THR A OG1 1 
ATOM   1600 C CG2 . THR A 1 212 ? -17.96373 -16.44860 -17.36915 1.000 21.99028  ? 219 THR A CG2 1 
ATOM   1601 N N   . LEU A 1 213 ? -15.67714 -16.58360 -14.81279 1.000 18.75533  ? 220 LEU A N   1 
ATOM   1602 C CA  . LEU A 1 213 ? -15.01505 -17.77664 -14.30794 1.000 18.76503  ? 220 LEU A CA  1 
ATOM   1603 C C   . LEU A 1 213 ? -15.90666 -18.96970 -14.64273 1.000 17.18999  ? 220 LEU A C   1 
ATOM   1604 O O   . LEU A 1 213 ? -16.99536 -19.10344 -14.07851 1.000 19.32554  ? 220 LEU A O   1 
ATOM   1605 C CB  . LEU A 1 213 ? -14.78892 -17.64730 -12.80704 1.000 19.59360  ? 220 LEU A CB  1 
ATOM   1606 C CG  . LEU A 1 213 ? -14.25246 -18.87634 -12.07692 1.000 22.06232  ? 220 LEU A CG  1 
ATOM   1607 C CD1 . LEU A 1 213 ? -13.00182 -19.42876 -12.75611 1.000 20.58068  ? 220 LEU A CD1 1 
ATOM   1608 C CD2 . LEU A 1 213 ? -13.96756 -18.55311 -10.58665 1.000 24.04433  ? 220 LEU A CD2 1 
ATOM   1609 N N   . PHE A 1 214 ? -15.43949 -19.82671 -15.55182 1.000 18.36024  ? 221 PHE A N   1 
ATOM   1610 C CA  . PHE A 1 214 ? -16.21193 -21.00350 -15.93485 1.000 20.35016  ? 221 PHE A CA  1 
ATOM   1611 C C   . PHE A 1 214 ? -16.18711 -22.01395 -14.80209 1.000 18.85189  ? 221 PHE A C   1 
ATOM   1612 O O   . PHE A 1 214 ? -15.20564 -22.12090 -14.06193 1.000 22.02670  ? 221 PHE A O   1 
ATOM   1613 C CB  . PHE A 1 214 ? -15.63133 -21.68219 -17.17736 1.000 18.03797  ? 221 PHE A CB  1 
ATOM   1614 C CG  . PHE A 1 214 ? -15.90258 -20.97368 -18.47577 1.000 17.25747  ? 221 PHE A CG  1 
ATOM   1615 C CD1 . PHE A 1 214 ? -15.98644 -19.58556 -18.55151 1.000 16.59555  ? 221 PHE A CD1 1 
ATOM   1616 C CD2 . PHE A 1 214 ? -15.99599 -21.72175 -19.64369 1.000 22.02082  ? 221 PHE A CD2 1 
ATOM   1617 C CE1 . PHE A 1 214 ? -16.18803 -18.94679 -19.75761 1.000 18.93240  ? 221 PHE A CE1 1 
ATOM   1618 C CE2 . PHE A 1 214 ? -16.19600 -21.09651 -20.87469 1.000 22.70991  ? 221 PHE A CE2 1 
ATOM   1619 C CZ  . PHE A 1 214 ? -16.28821 -19.70118 -20.93012 1.000 19.91577  ? 221 PHE A CZ  1 
ATOM   1620 N N   . VAL A 1 215 ? -17.25749 -22.78967 -14.68221 1.000 19.35757  ? 222 VAL A N   1 
ATOM   1621 C CA  . VAL A 1 215 ? -17.28929 -23.85618 -13.69237 1.000 23.11401  ? 222 VAL A CA  1 
ATOM   1622 C C   . VAL A 1 215 ? -17.15340 -25.18338 -14.42198 1.000 27.56362  ? 222 VAL A C   1 
ATOM   1623 O O   . VAL A 1 215 ? -17.28391 -25.27622 -15.64970 1.000 27.48683  ? 222 VAL A O   1 
ATOM   1624 C CB  . VAL A 1 215 ? -18.55459 -23.83439 -12.81657 1.000 39.36687  ? 222 VAL A CB  1 
ATOM   1625 C CG1 . VAL A 1 215 ? -18.45013 -22.71615 -11.75232 1.000 36.80134  ? 222 VAL A CG1 1 
ATOM   1626 C CG2 . VAL A 1 215 ? -19.78365 -23.72815 -13.64118 1.000 30.06449  ? 222 VAL A CG2 1 
ATOM   1627 N N   . GLU A 1 216 ? -16.84494 -26.21101 -13.65275 1.000 27.33515  ? 223 GLU A N   1 
ATOM   1628 C CA  . GLU A 1 216 ? -16.67462 -27.56372 -14.15742 1.000 35.36248  ? 223 GLU A CA  1 
ATOM   1629 C C   . GLU A 1 216 ? -17.75287 -28.51201 -13.66057 1.000 34.17258  ? 223 GLU A C   1 
ATOM   1630 O O   . GLU A 1 216 ? -18.26544 -28.37257 -12.54501 1.000 38.24738  ? 223 GLU A O   1 
ATOM   1631 C CB  . GLU A 1 216 ? -15.31103 -28.11984 -13.75539 1.000 32.08926  ? 223 GLU A CB  1 
ATOM   1632 C CG  . GLU A 1 216 ? -14.14914 -27.21376 -14.08603 1.000 31.10867  ? 223 GLU A CG  1 
ATOM   1633 C CD  . GLU A 1 216 ? -12.84426 -27.76645 -13.54522 1.000 46.45023  ? 223 GLU A CD  1 
ATOM   1634 O OE1 . GLU A 1 216 ? -12.36085 -28.80689 -14.06650 1.000 33.93622  ? 223 GLU A OE1 1 
ATOM   1635 O OE2 . GLU A 1 216 ? -12.27185 -27.09430 -12.64739 1.000 35.56483  ? 223 GLU A OE2 1 
ATOM   1636 N N   . LYS A 1 217 ? -18.06564 -29.50413 -14.49754 1.000 44.93968  ? 224 LYS A N   1 
ATOM   1637 C CA  . LYS A 1 217 ? -18.73393 -30.72370 -14.03560 1.000 47.96260  ? 224 LYS A CA  1 
ATOM   1638 C C   . LYS A 1 217 ? -18.85929 -31.78081 -15.13025 1.000 54.90823  ? 224 LYS A C   1 
ATOM   1639 O O   . LYS A 1 217 ? -18.23699 -31.68042 -16.18653 1.000 67.61641  ? 224 LYS A O   1 
ATOM   1640 C CB  . LYS A 1 217 ? -20.12945 -30.43373 -13.48370 1.000 67.06189  ? 224 LYS A CB  1 
ATOM   1641 C CG  . LYS A 1 217 ? -20.67131 -31.62459 -12.74010 1.000 58.73340  ? 224 LYS A CG  1 
ATOM   1642 C CD  . LYS A 1 217 ? -22.12602 -31.91906 -13.05438 1.000 62.68927  ? 224 LYS A CD  1 
ATOM   1643 C CE  . LYS A 1 217 ? -22.69956 -32.79166 -11.97002 1.000 70.10120  ? 224 LYS A CE  1 
ATOM   1644 N NZ  . LYS A 1 217 ? -24.10211 -32.45861 -11.65686 1.000 70.70180  ? 224 LYS A NZ  1 
HETATM 1645 C C11 . A7Q B 2 .   ? -2.11204  -11.89866 -23.04091 1.000 39.90505  ? 301 A7Q A C11 1 
HETATM 1646 C C10 . A7Q B 2 .   ? -1.64739  -8.54294  -27.70957 1.000 26.54237  ? 301 A7Q A C10 1 
HETATM 1647 C C9  . A7Q B 2 .   ? -1.27493  -7.25664  -28.05567 1.000 47.46116  ? 301 A7Q A C9  1 
HETATM 1648 C C8  . A7Q B 2 .   ? -1.19837  -6.26662  -27.10740 0.465 31.23069  ? 301 A7Q A C8  1 
HETATM 1649 C C7  . A7Q B 2 .   ? -1.49847  -6.53782  -25.79673 1.000 17.45529  ? 301 A7Q A C7  1 
HETATM 1650 C C4  . A7Q B 2 .   ? -1.82692  -10.73552 -24.96562 1.000 50.86292  ? 301 A7Q A C4  1 
HETATM 1651 C C5  . A7Q B 2 .   ? -1.93923  -8.80958  -26.39436 1.000 44.48351  ? 301 A7Q A C5  1 
HETATM 1652 C C6  . A7Q B 2 .   ? -1.84482  -7.82826  -25.42318 0.132 31.33392  ? 301 A7Q A C6  1 
HETATM 1653 C C3  . A7Q B 2 .   ? -0.44910  -10.67348 -24.80136 1.000 44.31458  ? 301 A7Q A C3  1 
HETATM 1654 C C2  . A7Q B 2 .   ? 0.08520   -11.27202 -23.70057 1.000 40.82677  ? 301 A7Q A C2  1 
HETATM 1655 C C1  . A7Q B 2 .   ? -0.74508  -11.91326 -22.78380 1.000 56.50285  ? 301 A7Q A C1  1 
HETATM 1656 O O   . A7Q B 2 .   ? -1.26281  -12.68166 -20.59898 0.229 22.05215  ? 301 A7Q A O   1 
HETATM 1657 C C   . A7Q B 2 .   ? -0.21217  -12.57080 -21.53751 1.000 26.07127  ? 301 A7Q A C   1 
HETATM 1658 N N   . A7Q B 2 .   ? -2.65973  -11.31304 -24.12660 1.000 47.69840  ? 301 A7Q A N   1 
HETATM 1659 O O1  . A7Q B 2 .   ? -2.32899  -10.13048 -26.08903 1.000 39.06979  ? 301 A7Q A O1  1 
HETATM 1660 O O   . HOH C 3 .   ? -25.293   -31.094   -11.924   1.000 40.00127  ? 401 HOH A O   1 
HETATM 1661 O O   . HOH C 3 .   ? -3.37656  -13.20763 -20.68581 1.000 20.01194  ? 402 HOH A O   1 
HETATM 1662 O O   . HOH C 3 .   ? 18.64969  -3.49664  -22.67655 1.000 45.98450  ? 403 HOH A O   1 
HETATM 1663 O O   . HOH C 3 .   ? 12.41837  -8.88897  -29.77837 1.000 32.81168  ? 404 HOH A O   1 
HETATM 1664 O O   . HOH C 3 .   ? -14.15829 -7.30970  -42.32653 1.000 60.42847  ? 405 HOH A O   1 
HETATM 1665 O O   . HOH C 3 .   ? -3.45829  -3.10329  -35.50683 1.000 43.67822  ? 406 HOH A O   1 
HETATM 1666 O O   . HOH C 3 .   ? -17.24228 -11.13187 -1.86391  1.000 53.24346  ? 407 HOH A O   1 
HETATM 1667 O O   . HOH C 3 .   ? -10.20117 -23.80536 -2.40131  1.000 63.86973  ? 408 HOH A O   1 
HETATM 1668 O O   . HOH C 3 .   ? -12.29115 -27.96006 -30.23459 1.000 39.05369  ? 409 HOH A O   1 
HETATM 1669 O O   . HOH C 3 .   ? -17.86661 -4.88038  -37.27109 1.000 53.42498  ? 410 HOH A O   1 
HETATM 1670 O O   . HOH C 3 .   ? 14.09299  -11.32244 -29.37132 1.000 44.09926  ? 411 HOH A O   1 
HETATM 1671 O O   . HOH C 3 .   ? -1.59722  -29.11458 -5.95903  1.000 36.09362  ? 412 HOH A O   1 
HETATM 1672 O O   . HOH C 3 .   ? 3.48346   -24.34380 -38.69564 1.000 37.44115  ? 413 HOH A O   1 
HETATM 1673 O O   . HOH C 3 .   ? 11.89197  -21.61479 -40.53118 1.000 49.74915  ? 414 HOH A O   1 
HETATM 1674 O O   . HOH C 3 .   ? 22.15407  -13.38794 -19.44563 1.000 54.36038  ? 415 HOH A O   1 
HETATM 1675 O O   . HOH C 3 .   ? 7.77189   -23.13119 -14.22507 1.000 27.81148  ? 416 HOH A O   1 
HETATM 1676 O O   . HOH C 3 .   ? -0.85743  -11.40652 -3.19730  1.000 40.28221  ? 417 HOH A O   1 
HETATM 1677 O O   . HOH C 3 .   ? 5.91206   -25.64122 -7.26499  1.000 39.94836  ? 418 HOH A O   1 
HETATM 1678 O O   . HOH C 3 .   ? -12.98015 -7.47170  -12.01982 1.000 41.44835  ? 419 HOH A O   1 
HETATM 1679 O O   . HOH C 3 .   ? -15.77580 0.01895   -30.39684 1.000 43.49710  ? 420 HOH A O   1 
HETATM 1680 O O   . HOH C 3 .   ? -5.48569  -28.53937 -5.05554  1.000 42.01527  ? 421 HOH A O   1 
HETATM 1681 O O   . HOH C 3 .   ? 10.70485  -23.24378 -41.55913 1.000 62.57205  ? 422 HOH A O   1 
HETATM 1682 O O   . HOH C 3 .   ? -14.11482 -11.52095 0.31636   1.000 37.35745  ? 423 HOH A O   1 
HETATM 1683 O O   . HOH C 3 .   ? -0.26050  -5.45437  -18.41360 1.000 26.85796  ? 424 HOH A O   1 
HETATM 1684 O O   . HOH C 3 .   ? 14.98785  -0.76651  -12.03284 1.000 42.74803  ? 425 HOH A O   1 
HETATM 1685 O O   . HOH C 3 .   ? 7.69187   -18.87586 -6.51310  1.000 24.59563  ? 426 HOH A O   1 
HETATM 1686 O O   . HOH C 3 .   ? -16.22059 -25.84052 -17.97817 1.000 27.88040  ? 427 HOH A O   1 
HETATM 1687 O O   . HOH C 3 .   ? 9.16083   -26.38666 -17.06263 1.000 28.34985  ? 428 HOH A O   1 
HETATM 1688 O O   . HOH C 3 .   ? -2.748    -2.742    -17.531   1.000 49.35219  ? 429 HOH A O   1 
HETATM 1689 O O   . HOH C 3 .   ? -14.54291 -7.13923  -14.43386 1.000 37.05989  ? 430 HOH A O   1 
HETATM 1690 O O   . HOH C 3 .   ? 0.35299   -22.28413 -2.21244  1.000 47.83813  ? 431 HOH A O   1 
HETATM 1691 O O   . HOH C 3 .   ? -8.02441  -22.77429 -30.44031 1.000 46.79256  ? 432 HOH A O   1 
HETATM 1692 O O   . HOH C 3 .   ? 0.83404   -21.02646 -4.64845  1.000 28.36126  ? 433 HOH A O   1 
HETATM 1693 O O   . HOH C 3 .   ? -13.43702 -0.88227  -20.36536 1.000 31.37592  ? 434 HOH A O   1 
HETATM 1694 O O   . HOH C 3 .   ? 9.89373   -14.75889 -25.23901 1.000 20.55505  ? 435 HOH A O   1 
HETATM 1695 O O   . HOH C 3 .   ? -0.11456  -5.58787  -38.42679 1.000 40.35459  ? 436 HOH A O   1 
HETATM 1696 O O   . HOH C 3 .   ? -4.41233  0.53334   -22.26575 1.000 33.50817  ? 437 HOH A O   1 
HETATM 1697 O O   . HOH C 3 .   ? 18.06574  -19.16967 -24.54696 1.000 35.38948  ? 438 HOH A O   1 
HETATM 1698 O O   . HOH C 3 .   ? -16.32445 -12.83589 -19.78890 1.000 20.14139  ? 439 HOH A O   1 
HETATM 1699 O O   . HOH C 3 .   ? -20.53422 -14.23079 -18.25597 1.000 36.19566  ? 440 HOH A O   1 
HETATM 1700 O O   . HOH C 3 .   ? 6.05609   -21.74561 -37.23564 1.000 34.55558  ? 441 HOH A O   1 
HETATM 1701 O O   . HOH C 3 .   ? 1.40031   -7.88056  -16.54343 1.000 22.47864  ? 442 HOH A O   1 
HETATM 1702 O O   . HOH C 3 .   ? 0.35105   -14.90369 -1.36662  1.000 39.49130  ? 443 HOH A O   1 
HETATM 1703 O O   . HOH C 3 .   ? -10.66886 -14.59214 0.92098   1.000 27.53489  ? 444 HOH A O   1 
HETATM 1704 O O   . HOH C 3 .   ? 6.03664   -21.19601 -0.05289  1.000 31.73597  ? 445 HOH A O   1 
HETATM 1705 O O   . HOH C 3 .   ? 6.70051   -29.68125 -20.22277 1.000 35.66377  ? 446 HOH A O   1 
HETATM 1706 O O   . HOH C 3 .   ? 3.14975   -20.45204 -2.73559  1.000 37.75868  ? 447 HOH A O   1 
HETATM 1707 O O   . HOH C 3 .   ? 5.34244   -29.22554 -8.45251  1.000 45.65714  ? 448 HOH A O   1 
HETATM 1708 O O   . HOH C 3 .   ? -8.05052  1.98440   -36.39427 1.000 36.59852  ? 449 HOH A O   1 
HETATM 1709 O O   . HOH C 3 .   ? -1.48431  -30.34580 -19.90620 1.000 50.74420  ? 450 HOH A O   1 
HETATM 1710 O O   . HOH C 3 .   ? -12.94565 -25.04751 -10.86873 1.000 30.95701  ? 451 HOH A O   1 
HETATM 1711 O O   . HOH C 3 .   ? -5.22738  -10.47191 -27.37697 1.000 18.40421  ? 452 HOH A O   1 
HETATM 1712 O O   . HOH C 3 .   ? -8.10444  -24.93589 -19.20664 1.000 19.02417  ? 453 HOH A O   1 
HETATM 1713 O O   . HOH C 3 .   ? -17.10528 -5.57592  -22.85437 1.000 28.50773  ? 454 HOH A O   1 
HETATM 1714 O O   . HOH C 3 .   ? 11.69474  -27.27229 -34.67512 1.000 27.29066  ? 455 HOH A O   1 
HETATM 1715 O O   . HOH C 3 .   ? 6.66910   -26.65086 -27.55519 1.000 34.95650  ? 456 HOH A O   1 
HETATM 1716 O O   . HOH C 3 .   ? 13.62996  -14.18906 -26.76063 1.000 22.55017  ? 457 HOH A O   1 
HETATM 1717 O O   . HOH C 3 .   ? -2.09553  -13.66645 -35.58769 1.000 20.77897  ? 458 HOH A O   1 
HETATM 1718 O O   . HOH C 3 .   ? 0.45359   -1.73427  -19.78144 1.000 42.85072  ? 459 HOH A O   1 
HETATM 1719 O O   . HOH C 3 .   ? -18.88397 -10.99719 -23.80531 1.000 33.85925  ? 460 HOH A O   1 
HETATM 1720 O O   . HOH C 3 .   ? -5.75881  -2.14574  -19.47866 1.000 21.93415  ? 461 HOH A O   1 
HETATM 1721 O O   . HOH C 3 .   ? -6.51548  -5.09950  -39.01274 1.000 44.81700  ? 462 HOH A O   1 
HETATM 1722 O O   . HOH C 3 .   ? -7.60897  -24.48847 -23.04946 1.000 29.32747  ? 463 HOH A O   1 
HETATM 1723 O O   . HOH C 3 .   ? 9.21575   -3.17806  -20.51810 1.000 31.96658  ? 464 HOH A O   1 
HETATM 1724 O O   . HOH C 3 .   ? -8.04100  -3.88617  -10.78929 1.000 29.85559  ? 465 HOH A O   1 
HETATM 1725 O O   . HOH C 3 .   ? 7.76639   -27.78242 -24.08521 1.000 33.70386  ? 466 HOH A O   1 
HETATM 1726 O O   . HOH C 3 .   ? -11.761   -0.387    -15.488   1.000 35.88857  ? 467 HOH A O   1 
HETATM 1727 O O   . HOH C 3 .   ? 7.98088   -23.25384 -7.21164  1.000 36.02491  ? 468 HOH A O   1 
HETATM 1728 O O   . HOH C 3 .   ? -10.63431 -14.20046 -37.86065 1.000 38.74340  ? 469 HOH A O   1 
HETATM 1729 O O   . HOH C 3 .   ? 0.66741   -29.80313 -15.94550 1.000 37.17833  ? 470 HOH A O   1 
HETATM 1730 O O   . HOH C 3 .   ? 10.86959  -25.59701 -26.74267 1.000 31.79485  ? 471 HOH A O   1 
HETATM 1731 O O   . HOH C 3 .   ? 3.18236   -6.08558  -11.07343 1.000 25.61650  ? 472 HOH A O   1 
HETATM 1732 O O   . HOH C 3 .   ? 18.36868  -7.23766  -20.19478 1.000 36.86290  ? 473 HOH A O   1 
HETATM 1733 O O   . HOH C 3 .   ? -6.36181  -7.72515  -34.38232 1.000 21.96210  ? 474 HOH A O   1 
HETATM 1734 O O   . HOH C 3 .   ? -5.77027  -31.25921 -11.60905 1.000 30.88430  ? 475 HOH A O   1 
HETATM 1735 O O   . HOH C 3 .   ? -9.37109  -2.29967  -17.58383 1.000 19.90693  ? 476 HOH A O   1 
HETATM 1736 O O   . HOH C 3 .   ? -8.47554  -11.77996 -36.40972 1.000 27.42304  ? 477 HOH A O   1 
HETATM 1737 O O   . HOH C 3 .   ? 8.59302   -16.16485 -39.48534 1.000 42.85371  ? 478 HOH A O   1 
HETATM 1738 O O   . HOH C 3 .   ? -0.27207  -7.17363  -30.98276 1.000 30.47027  ? 479 HOH A O   1 
HETATM 1739 O O   . HOH C 3 .   ? 1.47537   -8.68606  -26.47915 1.000 32.61348  ? 480 HOH A O   1 
HETATM 1740 O O   . HOH C 3 .   ? 15.56864  -20.22520 -18.54203 1.000 24.27153  ? 481 HOH A O   1 
HETATM 1741 O O   . HOH C 3 .   ? -7.57963  -28.39351 -7.98893  1.000 33.53209  ? 482 HOH A O   1 
HETATM 1742 O O   . HOH C 3 .   ? -8.58920  -17.95614 -36.57785 1.000 42.53979  ? 483 HOH A O   1 
HETATM 1743 O O   . HOH C 3 .   ? 9.74197   -17.44420 -7.75241  1.000 23.24197  ? 484 HOH A O   1 
HETATM 1744 O O   . HOH C 3 .   ? -6.51027  -3.52756  -8.23166  1.000 44.27379  ? 485 HOH A O   1 
HETATM 1745 O O   . HOH C 3 .   ? 11.28502  -8.09000  -27.37146 1.000 22.65284  ? 486 HOH A O   1 
HETATM 1746 O O   . HOH C 3 .   ? -5.42758  -7.72216  -13.12794 1.000 21.28593  ? 487 HOH A O   1 
HETATM 1747 O O   . HOH C 3 .   ? 13.05517  -13.84803 -29.55867 1.000 27.27285  ? 488 HOH A O   1 
HETATM 1748 O O   . HOH C 3 .   ? -6.12187  -14.03584 0.77644   1.000 32.76339  ? 489 HOH A O   1 
HETATM 1749 O O   . HOH C 3 .   ? -15.18188 -11.19163 -29.80949 1.000 25.48448  ? 490 HOH A O   1 
HETATM 1750 O O   . HOH C 3 .   ? 5.06666   -9.89479  -2.43299  1.000 42.05787  ? 491 HOH A O   1 
HETATM 1751 O O   . HOH C 3 .   ? 0.50693   -5.29800  -14.09846 1.000 39.41928  ? 492 HOH A O   1 
HETATM 1752 O O   . HOH C 3 .   ? -8.38782  4.81146   -33.46478 1.000 30.34639  ? 493 HOH A O   1 
HETATM 1753 O O   . HOH C 3 .   ? 2.23142   -6.15457  -25.75735 1.000 34.79008  ? 494 HOH A O   1 
HETATM 1754 O O   . HOH C 3 .   ? -4.01708  -5.01336  -8.41905  1.000 45.80344  ? 495 HOH A O   1 
HETATM 1755 O O   . HOH C 3 .   ? 8.49231   -20.54766 -9.22635  1.000 31.55969  ? 496 HOH A O   1 
HETATM 1756 O O   . HOH C 3 .   ? -3.06796  -31.83822 -19.93482 1.000 55.24119  ? 497 HOH A O   1 
HETATM 1757 O O   . HOH C 3 .   ? 1.02547   -6.24613  -34.17918 1.000 42.74967  ? 498 HOH A O   1 
HETATM 1758 O O   . HOH C 3 .   ? 2.47417   -15.29862 -40.96828 1.000 45.50782  ? 499 HOH A O   1 
HETATM 1759 O O   . HOH C 3 .   ? -7.00565  -22.55687 -36.67892 1.000 45.23352  ? 500 HOH A O   1 
HETATM 1760 O O   . HOH C 3 .   ? 8.92071   -15.46940 -27.71660 1.000 17.75680  ? 501 HOH A O   1 
HETATM 1761 O O   . HOH C 3 .   ? -7.91540  -23.99120 -26.00075 1.000 51.08553  ? 502 HOH A O   1 
HETATM 1762 O O   . HOH C 3 .   ? -19.77927 -12.86513 -16.40476 1.000 48.69547  ? 503 HOH A O   1 
HETATM 1763 O O   . HOH C 3 .   ? 3.62580   -7.54722  -36.43511 1.000 32.82012  ? 504 HOH A O   1 
HETATM 1764 O O   . HOH C 3 .   ? 11.60399  -28.34195 -30.36929 1.000 34.05489  ? 505 HOH A O   1 
HETATM 1765 O O   . HOH C 3 .   ? 10.65827  -25.36016 -23.75287 1.000 23.43687  ? 506 HOH A O   1 
HETATM 1766 O O   . HOH C 3 .   ? -17.91035 -3.88440  -28.98072 1.000 47.39614  ? 507 HOH A O   1 
HETATM 1767 O O   . HOH C 3 .   ? 3.83036   -11.83857 -38.46849 1.000 24.85477  ? 508 HOH A O   1 
HETATM 1768 O O   . HOH C 3 .   ? 4.85969   -30.49748 -11.48503 1.000 39.81429  ? 509 HOH A O   1 
HETATM 1769 O O   . HOH C 3 .   ? 14.46035  -15.95536 -30.66365 1.000 32.38756  ? 510 HOH A O   1 
HETATM 1770 O O   . HOH C 3 .   ? 18.43529  -16.06019 -13.39099 1.000 39.00044  ? 511 HOH A O   1 
HETATM 1771 O O   . HOH C 3 .   ? -6.24058  -11.34501 -10.10335 1.000 24.73111  ? 512 HOH A O   1 
HETATM 1772 O O   . HOH C 3 .   ? -8.74959  -10.53494 -40.48977 1.000 42.07750  ? 513 HOH A O   1 
HETATM 1773 O O   . HOH C 3 .   ? -13.76875 -17.12500 -2.65375  1.000 25.90907  ? 514 HOH A O   1 
HETATM 1774 O O   . HOH C 3 .   ? 8.60688   -0.33380  -17.30563 1.000 35.92501  ? 515 HOH A O   1 
HETATM 1775 O O   . HOH C 3 .   ? -4.04786  -13.90501 -0.87164  1.000 41.11228  ? 516 HOH A O   1 
HETATM 1776 O O   . HOH C 3 .   ? -10.35640 -11.52043 -2.13932  1.000 23.34032  ? 517 HOH A O   1 
HETATM 1777 O O   . HOH C 3 .   ? -5.53466  -18.80299 -39.22323 1.000 38.38838  ? 518 HOH A O   1 
HETATM 1778 O O   . HOH C 3 .   ? -7.18758  1.30372   -19.41519 1.000 33.37542  ? 519 HOH A O   1 
HETATM 1779 O O   . HOH C 3 .   ? -1.78033  -25.69323 -4.70525  1.000 25.26747  ? 520 HOH A O   1 
HETATM 1780 O O   . HOH C 3 .   ? 4.53893   -19.38777 -40.63231 1.000 36.86677  ? 521 HOH A O   1 
HETATM 1781 O O   . HOH C 3 .   ? -13.42991 -26.59681 -18.12620 1.000 27.76151  ? 522 HOH A O   1 
HETATM 1782 O O   . HOH C 3 .   ? -10.29958 -0.59266  -19.92549 1.000 28.39889  ? 523 HOH A O   1 
HETATM 1783 O O   . HOH C 3 .   ? -2.91751  -5.88911  -6.59408  1.000 38.08511  ? 524 HOH A O   1 
HETATM 1784 O O   . HOH C 3 .   ? -14.56965 -22.89335 -11.39678 1.000 31.00048  ? 525 HOH A O   1 
HETATM 1785 O O   . HOH C 3 .   ? 4.19892   -24.16270 -30.68340 1.000 20.10108  ? 526 HOH A O   1 
HETATM 1786 O O   . HOH C 3 .   ? -14.23965 -12.81470 -7.86417  1.000 24.74835  ? 527 HOH A O   1 
HETATM 1787 O O   . HOH C 3 .   ? -5.13101  -14.25310 -22.60504 1.000 19.96175  ? 528 HOH A O   1 
HETATM 1788 O O   . HOH C 3 .   ? 14.11506  -15.72264 -1.87508  1.000 32.30371  ? 529 HOH A O   1 
HETATM 1789 O O   . HOH C 3 .   ? -2.40482  -24.74093 -1.10897  1.000 52.04176  ? 530 HOH A O   1 
HETATM 1790 O O   . HOH C 3 .   ? -15.81387 -0.19969  -27.57636 1.000 55.81082  ? 531 HOH A O   1 
HETATM 1791 O O   . HOH C 3 .   ? 3.59166   -6.72692  -17.82069 1.000 24.28872  ? 532 HOH A O   1 
HETATM 1792 O O   . HOH C 3 .   ? 10.43504  -21.32274 -6.88369  1.000 39.63078  ? 533 HOH A O   1 
HETATM 1793 O O   . HOH C 3 .   ? -4.66397  0.47607   -30.53813 1.000 33.24733  ? 534 HOH A O   1 
HETATM 1794 O O   . HOH C 3 .   ? -7.56124  7.34602   -33.34877 1.000 37.33174  ? 535 HOH A O   1 
HETATM 1795 O O   . HOH C 3 .   ? 10.90518  -11.45116 -4.73929  1.000 34.37720  ? 536 HOH A O   1 
HETATM 1796 O O   . HOH C 3 .   ? -1.27437  -4.45608  -33.63162 1.000 36.69818  ? 537 HOH A O   1 
HETATM 1797 O O   . HOH C 3 .   ? -19.815   -19.630   -14.290   1.000 22.47791  ? 538 HOH A O   1 
HETATM 1798 O O   . HOH C 3 .   ? 7.47929   -4.64648  -22.19211 1.000 34.42890  ? 539 HOH A O   1 
HETATM 1799 O O   . HOH C 3 .   ? 4.03982   -9.26750  -20.33860 1.000 20.86427  ? 540 HOH A O   1 
HETATM 1800 O O   . HOH C 3 .   ? -10.16981 -15.06482 -28.37663 1.000 25.81093  ? 541 HOH A O   1 
HETATM 1801 O O   . HOH C 3 .   ? -16.20762 -3.06329  -21.24773 1.000 29.33856  ? 542 HOH A O   1 
HETATM 1802 O O   . HOH C 3 .   ? -17.84626 -18.95651 -11.23331 1.000 34.29495  ? 543 HOH A O   1 
HETATM 1803 O O   . HOH C 3 .   ? 20.86012  -13.86357 -26.55940 1.000 34.12018  ? 544 HOH A O   1 
HETATM 1804 O O   . HOH C 3 .   ? 2.96447   -5.65094  -6.28777  1.000 40.05596  ? 545 HOH A O   1 
HETATM 1805 O O   . HOH C 3 .   ? -4.239    -3.585    -15.518   1.000 40.54931  ? 546 HOH A O   1 
HETATM 1806 O O   . HOH C 3 .   ? -15.22292 -12.18892 -12.02667 1.000 34.36689  ? 547 HOH A O   1 
HETATM 1807 O O   . HOH C 3 .   ? -6.28535  -5.05971  -35.62704 1.000 22.48571  ? 548 HOH A O   1 
HETATM 1808 O O   . HOH C 3 .   ? -2.04725  -0.54535  -18.51695 1.000 43.07917  ? 549 HOH A O   1 
HETATM 1809 O O   . HOH C 3 .   ? 3.02186   -4.19911  -8.94345  1.000 45.03879  ? 550 HOH A O   1 
HETATM 1810 O O   . HOH C 3 .   ? 12.36999  -27.46697 -20.04619 1.000 47.53510  ? 551 HOH A O   1 
HETATM 1811 O O   . HOH C 3 .   ? 1.61631   -25.85253 -2.66487  1.000 44.05275  ? 552 HOH A O   1 
HETATM 1812 O O   . HOH C 3 .   ? -17.68389 -15.26398 -13.14253 1.000 26.45097  ? 553 HOH A O   1 
HETATM 1813 O O   . HOH C 3 .   ? 17.26077  -24.77147 -25.22172 1.000 34.08031  ? 554 HOH A O   1 
HETATM 1814 O O   . HOH C 3 .   ? -16.07315 6.01048   -32.38536 1.000 44.25600  ? 555 HOH A O   1 
HETATM 1815 O O   . HOH C 3 .   ? -16.21821 -25.59076 -10.85225 1.000 35.77073  ? 556 HOH A O   1 
HETATM 1816 O O   . HOH C 3 .   ? -15.82455 -4.40884  -15.16216 1.000 65.85542  ? 557 HOH A O   1 
HETATM 1817 O O   . HOH C 3 .   ? 13.74089  -20.49227 -20.69127 1.000 21.05828  ? 558 HOH A O   1 
HETATM 1818 O O   . HOH C 3 .   ? -9.354    -24.409   3.076     1.000 54.95665  ? 559 HOH A O   1 
HETATM 1819 O O   . HOH C 3 .   ? 0.96606   -27.09508 -37.38952 1.000 48.45488  ? 560 HOH A O   1 
HETATM 1820 O O   . HOH C 3 .   ? 8.74914   -20.43568 -4.30659  1.000 27.99573  ? 561 HOH A O   1 
HETATM 1821 O O   . HOH C 3 .   ? -16.39048 -9.21781  -14.23058 1.000 34.80710  ? 562 HOH A O   1 
HETATM 1822 O O   . HOH C 3 .   ? -19.51530 -10.63143 -32.65886 1.000 42.92976  ? 563 HOH A O   1 
HETATM 1823 O O   . HOH C 3 .   ? -3.17078  -1.08517  -24.02400 1.000 31.40186  ? 564 HOH A O   1 
HETATM 1824 O O   . HOH C 3 .   ? 1.69739   -4.32479  -16.87168 1.000 40.26515  ? 565 HOH A O   1 
HETATM 1825 O O   . HOH C 3 .   ? -5.09813  -5.30133  -11.91654 1.000 34.86008  ? 566 HOH A O   1 
HETATM 1826 O O   . HOH C 3 .   ? -14.65100 -3.70268  -12.78698 1.000 46.82966  ? 567 HOH A O   1 
HETATM 1827 O O   . HOH C 3 .   ? 9.77677   -5.83130  -1.50980  1.000 46.60587  ? 568 HOH A O   1 
HETATM 1828 O O   . HOH C 3 .   ? -3.29570  -21.04620 -0.38368  1.000 33.25346  ? 569 HOH A O   1 
HETATM 1829 O O   . HOH C 3 .   ? 19.77057  -16.52152 -27.85224 1.000 38.84006  ? 570 HOH A O   1 
HETATM 1830 O O   . HOH C 3 .   ? -17.21484 -28.76474 -17.25045 1.000 38.62987  ? 571 HOH A O   1 
HETATM 1831 O O   . HOH C 3 .   ? -2.45842  -15.68590 -0.18650  1.000 41.88505  ? 572 HOH A O   1 
HETATM 1832 O O   . HOH C 3 .   ? -13.74371 -18.66792 -24.45890 1.000 21.64825  ? 573 HOH A O   1 
HETATM 1833 O O   . HOH C 3 .   ? 3.94778   -23.05325 -3.41973  1.000 35.78697  ? 574 HOH A O   1 
HETATM 1834 O O   . HOH C 3 .   ? -14.04272 -24.06936 -4.87331  1.000 33.08907  ? 575 HOH A O   1 
HETATM 1835 O O   . HOH C 3 .   ? -1.02929  -29.86319 -17.31111 1.000 42.98637  ? 576 HOH A O   1 
HETATM 1836 O O   . HOH C 3 .   ? -0.02576  -16.71710 -3.44902  1.000 26.82997  ? 577 HOH A O   1 
HETATM 1837 O O   . HOH C 3 .   ? 8.61378   -19.75859 -41.44128 1.000 50.16593  ? 578 HOH A O   1 
HETATM 1838 O O   . HOH C 3 .   ? -13.01932 -12.37098 -31.02463 1.000 26.51236  ? 579 HOH A O   1 
HETATM 1839 O O   . HOH C 3 .   ? -13.54469 -25.90844 -7.78882  1.000 27.19521  ? 580 HOH A O   1 
HETATM 1840 O O   . HOH C 3 .   ? 13.43634  -6.70522  -26.21819 1.000 23.76077  ? 581 HOH A O   1 
HETATM 1841 O O   . HOH C 3 .   ? 0.53157   -5.63046  -22.04547 1.000 34.93517  ? 582 HOH A O   1 
HETATM 1842 O O   . HOH C 3 .   ? -18.25154 -6.14745  -25.34012 1.000 37.73331  ? 583 HOH A O   1 
HETATM 1843 O O   . HOH C 3 .   ? -13.51401 -31.23685 -12.56902 1.000 41.65123  ? 584 HOH A O   1 
HETATM 1844 O O   . HOH C 3 .   ? 15.84127  -18.05358 -3.52550  1.000 34.10702  ? 585 HOH A O   1 
HETATM 1845 O O   . HOH C 3 .   ? -5.398    -11.226   1.267     1.000 48.52230  ? 586 HOH A O   1 
HETATM 1846 O O   . HOH C 3 .   ? 15.48318  -7.10809  -27.66389 1.000 35.36916  ? 587 HOH A O   1 
HETATM 1847 O O   . HOH C 3 .   ? 13.81374  -3.94370  -25.26827 1.000 22.00482  ? 588 HOH A O   1 
HETATM 1848 O O   . HOH C 3 .   ? 11.81092  -1.71108  -3.69950  1.000 54.70557  ? 589 HOH A O   1 
HETATM 1849 O O   . HOH C 3 .   ? -5.62802  -11.98013 -42.08700 1.000 55.80148  ? 590 HOH A O   1 
HETATM 1850 O O   . HOH C 3 .   ? -14.09130 -16.34903 -26.11127 1.000 27.34896  ? 591 HOH A O   1 
HETATM 1851 O O   . HOH C 3 .   ? 11.50174  -1.69664  -20.20642 1.000 34.59910  ? 592 HOH A O   1 
HETATM 1852 O O   . HOH C 3 .   ? 20.55916  -5.96761  -21.01626 1.000 44.80807  ? 593 HOH A O   1 
HETATM 1853 O O   . HOH C 3 .   ? -12.26230 -26.97252 -20.43855 1.000 29.98022  ? 594 HOH A O   1 
HETATM 1854 O O   . HOH C 3 .   ? 19.87454  -13.66056 -12.55436 1.000 55.44336  ? 595 HOH A O   1 
HETATM 1855 O O   . HOH C 3 .   ? 3.21080   -6.51634  -20.40588 1.000 36.46786  ? 596 HOH A O   1 
HETATM 1856 O O   . HOH C 3 .   ? -2.31715  -8.81469  -43.68234 1.000 53.03237  ? 597 HOH A O   1 
HETATM 1857 O O   . HOH C 3 .   ? 2.87060   -10.10675 -22.97595 1.000 25.12461  ? 598 HOH A O   1 
HETATM 1858 O O   . HOH C 3 .   ? 18.01369  -15.52332 -29.56827 1.000 43.77771  ? 599 HOH A O   1 
HETATM 1859 O O   . HOH C 3 .   ? -13.61855 -29.30107 -17.05034 1.000 45.50168  ? 600 HOH A O   1 
HETATM 1860 O O   . HOH C 3 .   ? -7.20993  -2.04128  -12.66074 1.000 43.76402  ? 601 HOH A O   1 
HETATM 1861 O O   . HOH C 3 .   ? 6.94765   -29.97214 -29.55079 1.000 56.65742  ? 602 HOH A O   1 
HETATM 1862 O O   . HOH C 3 .   ? 1.752     -18.357   0.204     1.000 36.97070  ? 603 HOH A O   1 
HETATM 1863 O O   . HOH C 3 .   ? -3.87374  -33.01239 -10.99305 1.000 50.18718  ? 604 HOH A O   1 
HETATM 1864 O O   . HOH C 3 .   ? 4.60438   -21.80363 -39.23071 1.000 51.08487  ? 605 HOH A O   1 
HETATM 1865 O O   . HOH C 3 .   ? 10.90474  -17.29008 -38.62420 1.000 49.59956  ? 606 HOH A O   1 
HETATM 1866 O O   . HOH C 3 .   ? 4.831     -1.862    -18.365   1.000 34.49468  ? 607 HOH A O   1 
HETATM 1867 O O   . HOH C 3 .   ? 8.34148   -26.02988 -25.88999 1.000 42.75168  ? 608 HOH A O   1 
HETATM 1868 O O   . HOH C 3 .   ? 2.10806   -25.76988 -29.26758 1.000 35.09401  ? 609 HOH A O   1 
HETATM 1869 O O   . HOH C 3 .   ? 12.27650  -25.34386 -38.24912 1.000 31.91160  ? 610 HOH A O   1 
HETATM 1870 O O   . HOH C 3 .   ? -27.251   -31.879   -10.254   1.000 29.96819  ? 611 HOH A O   1 
HETATM 1871 O O   . HOH C 3 .   ? -1.23561  -5.75183  -12.48121 1.000 46.57295  ? 612 HOH A O   1 
HETATM 1872 O O   . HOH C 3 .   ? -0.22125  -19.26679 -1.79084  1.000 41.36039  ? 613 HOH A O   1 
HETATM 1873 O O   . HOH C 3 .   ? -3.91620  -12.86600 -42.60166 1.000 51.74776  ? 614 HOH A O   1 
HETATM 1874 O O   . HOH C 3 .   ? -17.23375 -4.65692  -17.54852 1.000 42.78127  ? 615 HOH A O   1 
HETATM 1875 O O   . HOH C 3 .   ? 18.04714  -17.18902 -11.11151 1.000 45.02045  ? 616 HOH A O   1 
HETATM 1876 O O   . HOH C 3 .   ? 3.98506   -4.95140  -22.41762 1.000 52.94575  ? 617 HOH A O   1 
HETATM 1877 O O   . HOH C 3 .   ? -12.17519 -6.88347  -41.80812 1.000 60.37140  ? 618 HOH A O   1 
HETATM 1878 O O   . HOH C 3 .   ? 16.80077  0.79888   -17.47195 1.000 50.43651  ? 619 HOH A O   1 
HETATM 1879 O O   . HOH C 3 .   ? -0.60628  -29.32404 -3.34885  1.000 54.30861  ? 620 HOH A O   1 
HETATM 1880 O O   . HOH C 3 .   ? -8.95466  -5.63367  -39.76950 1.000 45.14801  ? 621 HOH A O   1 
HETATM 1881 O O   . HOH C 3 .   ? -13.95694 -14.50296 -2.92970  1.000 32.74552  ? 622 HOH A O   1 
HETATM 1882 O O   . HOH C 3 .   ? -13.844   -0.829    -13.560   1.000 36.81429  ? 623 HOH A O   1 
HETATM 1883 O O   . HOH C 3 .   ? -6.24987  3.87829   -34.60839 1.000 37.34369  ? 624 HOH A O   1 
HETATM 1884 O O   . HOH C 3 .   ? 14.61906  -22.13445 -16.90394 1.000 36.50783  ? 625 HOH A O   1 
HETATM 1885 O O   . HOH C 3 .   ? 1.35414   -7.88040  -22.98772 1.000 42.56987  ? 626 HOH A O   1 
HETATM 1886 O O   . HOH C 3 .   ? -9.70508  -26.14516 -20.86917 1.000 28.65157  ? 627 HOH A O   1 
HETATM 1887 O O   . HOH C 3 .   ? -2.45885  -0.93018  -30.87569 1.000 44.98134  ? 628 HOH A O   1 
HETATM 1888 O O   . HOH C 3 .   ? 16.23471  1.34629   -15.49836 1.000 50.87486  ? 629 HOH A O   1 
HETATM 1889 O O   . HOH C 3 .   ? 17.81151  -21.35105 -19.66428 1.000 36.52757  ? 630 HOH A O   1 
HETATM 1890 O O   . HOH C 3 .   ? 14.74796  -8.09470  -30.16063 1.000 38.68893  ? 631 HOH A O   1 
HETATM 1891 O O   . HOH C 3 .   ? -6.293    6.703     -35.612   1.000 45.48020  ? 632 HOH A O   1 
HETATM 1892 O O   . HOH C 3 .   ? -12.43418 -16.44105 -28.17275 1.000 32.66036  ? 633 HOH A O   1 
HETATM 1893 O O   . HOH C 3 .   ? 5.46551   1.56767   -16.72890 1.000 38.64036  ? 634 HOH A O   1 
HETATM 1894 O O   . HOH C 3 .   ? -0.32046  -1.03619  -22.67473 1.000 42.63955  ? 635 HOH A O   1 
HETATM 1895 O O   . HOH C 3 .   ? 3.53894   -9.04451  -38.91764 1.000 40.53051  ? 636 HOH A O   1 
HETATM 1896 O O   . HOH C 3 .   ? 3.23404   -7.99709  -2.00766  1.000 52.46799  ? 637 HOH A O   1 
HETATM 1897 O O   . HOH C 3 .   ? 6.23378   -29.79244 -24.76953 1.000 45.54137  ? 638 HOH A O   1 
HETATM 1898 O O   . HOH C 3 .   ? -14.49982 -10.05561 -8.31368  1.000 36.95759  ? 639 HOH A O   1 
HETATM 1899 O O   . HOH C 3 .   ? 12.22131  -27.81434 -23.45680 1.000 52.15236  ? 640 HOH A O   1 
HETATM 1900 O O   . HOH C 3 .   ? 15.54418  -12.40218 -6.83106  1.000 48.08358  ? 641 HOH A O   1 
HETATM 1901 O O   . HOH C 3 .   ? -3.52834  -27.33774 -3.08430  1.000 48.84651  ? 642 HOH A O   1 
HETATM 1902 O O   . HOH C 3 .   ? -18.72273 -11.82732 -21.15913 1.000 29.31182  ? 643 HOH A O   1 
HETATM 1903 O O   . HOH C 3 .   ? 1.52963   -7.49769  -28.81372 1.000 44.06755  ? 644 HOH A O   1 
HETATM 1904 O O   . HOH C 3 .   ? 11.04137  -1.25995  -17.31439 1.000 36.77296  ? 645 HOH A O   1 
HETATM 1905 O O   . HOH C 3 .   ? 19.21576  -8.45837  -17.55853 1.000 35.49665  ? 646 HOH A O   1 
HETATM 1906 O O   . HOH C 3 .   ? 10.63441  -18.35117 -42.34895 1.000 55.04681  ? 647 HOH A O   1 
HETATM 1907 O O   . HOH C 3 .   ? -10.61858 -8.92707  -1.47356  1.000 40.02520  ? 648 HOH A O   1 
HETATM 1908 O O   . HOH C 3 .   ? -1.47144  -6.40728  -42.88421 1.000 52.23319  ? 649 HOH A O   1 
HETATM 1909 O O   . HOH C 3 .   ? 6.69543   -21.52465 -2.66593  1.000 32.48016  ? 650 HOH A O   1 
HETATM 1910 O O   . HOH C 3 .   ? -10.045   -29.137   -30.861   1.000 47.43143  ? 651 HOH A O   1 
HETATM 1911 O O   . HOH C 3 .   ? -0.00000  -0.00000  -21.09661 0.50  61.57345  ? 652 HOH A O   1 
HETATM 1912 O O   . HOH C 3 .   ? -10.411   -22.630   4.259     1.000 44.64508  ? 653 HOH A O   1 
HETATM 1913 O O   . HOH C 3 .   ? 7.88239   -29.02691 -28.17889 1.000 42.44387  ? 654 HOH A O   1 
HETATM 1914 O O   . HOH C 3 .   ? 10.53665  -21.41670 -43.08086 1.000 48.87124  ? 655 HOH A O   1 
HETATM 1915 O O   . HOH C 3 .   ? 5.52701   -3.14301  -23.42009 1.000 40.23546  ? 656 HOH A O   1 
HETATM 1916 O O   . HOH C 3 .   ? -4.700    -25.066   -0.965    1.000 51.79944  ? 657 HOH A O   1 
HETATM 1917 O O   . HOH C 3 .   ? 16.00995  0.68472   -9.99634  1.000 51.93830  ? 658 HOH A O   1 
HETATM 1918 O O   . HOH C 3 .   ? 11.16411  -28.12939 -27.82671 1.000 45.84827  ? 659 HOH A O   1 
HETATM 1919 O O   . HOH C 3 .   ? -3.72644  -34.54600 -19.91180 1.000 55.45303  ? 660 HOH A O   1 
HETATM 1920 O O   . HOH C 3 .   ? -13.39673 -13.39556 -38.77112 1.000 46.83861  ? 661 HOH A O   1 
HETATM 1921 O O   . HOH C 3 .   ? -15.94634 -13.27010 -3.75212  1.000 47.43197  ? 662 HOH A O   1 
HETATM 1922 O O   . HOH C 3 .   ? -7.02230  -30.94141 -9.18084  1.000 35.75731  ? 663 HOH A O   1 
HETATM 1923 O O   . HOH C 3 .   ? -16.248   3.047     -26.428   1.000 45.41928  ? 664 HOH A O   1 
HETATM 1924 O O   . HOH C 3 .   ? -0.00000  -25.12448 0.00000   0.50  69.64352  ? 665 HOH A O   1 
HETATM 1925 O O   . HOH C 3 .   ? -4.73034  -9.07575  -43.98836 1.000 55.94071  ? 666 HOH A O   1 
HETATM 1926 O O   . HOH C 3 .   ? -0.00000  -0.00000  -18.49199 0.50  32.06613  ? 667 HOH A O   1 
HETATM 1927 O O   . HOH C 3 .   ? -6.656    -23.093   -1.672    1.000 42.26767  ? 668 HOH A O   1 
HETATM 1928 O O   . HOH C 3 .   ? 11.694    -29.981   -34.663   1.000 42.43352  ? 669 HOH A O   1 
HETATM 1929 O O   . HOH C 3 .   ? 9.61153   -25.32433 -14.69518 1.000 40.98863  ? 670 HOH A O   1 
HETATM 1930 O O   . HOH C 3 .   ? 17.63184  -16.68440 -4.72041  1.000 52.57683  ? 671 HOH A O   1 
HETATM 1931 O O   . HOH C 3 .   ? -16.36259 -12.84154 -6.40195  1.000 48.68177  ? 672 HOH A O   1 
HETATM 1932 O O   . HOH C 3 .   ? -11.86899 -20.64742 -25.36896 1.000 43.32526  ? 673 HOH A O   1 
HETATM 1933 O O   . HOH C 3 .   ? 21.90125  -17.82963 -25.07601 1.000 41.00008  ? 674 HOH A O   1 
HETATM 1934 O O   . HOH C 3 .   ? -10.285   -11.931   1.979     1.000 36.81373  ? 675 HOH A O   1 
HETATM 1935 O O   . HOH C 3 .   ? -12.32979 -13.19761 -1.01260  1.000 29.14619  ? 676 HOH A O   1 
HETATM 1936 O O   . HOH C 3 .   ? 3.001     -2.036    -20.499   1.000 49.30690  ? 677 HOH A O   1 
HETATM 1937 O O   . HOH C 3 .   ? 5.16040   -14.68224 -41.57084 1.000 44.36148  ? 678 HOH A O   1 
HETATM 1938 O O   . HOH C 3 .   ? -16.93603 -15.72927 -10.43861 1.000 36.63790  ? 679 HOH A O   1 
HETATM 1939 O O   . HOH C 3 .   ? -3.83818  3.19329   -33.68594 1.000 44.19059  ? 680 HOH A O   1 
HETATM 1940 O O   . HOH C 3 .   ? 14.52275  -13.06276 -2.84538  1.000 40.69824  ? 681 HOH A O   1 
HETATM 1941 O O   . HOH C 3 .   ? -8.66888  -10.92127 -0.13422  1.000 43.57985  ? 682 HOH A O   1 
HETATM 1942 O O   . HOH C 3 .   ? 0.72951   -1.28690  -16.83620 1.000 43.11307  ? 683 HOH A O   1 
HETATM 1943 O O   . HOH C 3 .   ? -14.66642 -9.56874  -11.50436 1.000 44.40132  ? 684 HOH A O   1 
HETATM 1944 O O   . HOH C 3 .   ? 19.42276  -20.43433 -22.18512 1.000 34.61502  ? 685 HOH A O   1 
HETATM 1945 O O   . HOH C 3 .   ? -14.67482 -14.06878 -10.20837 1.000 32.71055  ? 686 HOH A O   1 
HETATM 1946 O O   . HOH C 3 .   ? 20.84646  -20.27001 -26.66046 1.000 43.21852  ? 687 HOH A O   1 
HETATM 1947 O O   . HOH C 3 .   ? 13.60645  -11.72847 -5.09405  1.000 34.53167  ? 688 HOH A O   1 
HETATM 1948 O O   . HOH C 3 .   ? 17.35021  -4.93082  -28.15198 1.000 46.20710  ? 689 HOH A O   1 
HETATM 1949 O O   . HOH C 3 .   ? -19.73121 -6.09430  -21.30537 1.000 43.96850  ? 690 HOH A O   1 
HETATM 1950 O O   . HOH C 3 .   ? -8.88105  -32.85992 -8.64712  1.000 45.69698  ? 691 HOH A O   1 
HETATM 1951 O O   . HOH C 3 .   ? -26.967   -36.524   -10.497   1.000 52.55390  ? 692 HOH A O   1 
HETATM 1952 O O   . HOH C 3 .   ? 9.37913   -0.80131  -3.76700  1.000 52.46660  ? 693 HOH A O   1 
HETATM 1953 O O   . HOH C 3 .   ? 24.17189  -17.11093 -24.30206 1.000 55.74842  ? 694 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   . GLU A 9   ? 0.61429 0.96253 0.58356 -0.08830 -0.02712 -0.29809 16  GLU A N   
2    C CA  . GLU A 9   ? 0.73201 1.04285 0.68730 -0.04776 -0.03719 -0.27206 16  GLU A CA  
3    C C   . GLU A 9   ? 0.52255 0.81248 0.48836 -0.03046 -0.04232 -0.24668 16  GLU A C   
4    O O   . GLU A 9   ? 0.56100 0.91190 0.54673 -0.01365 -0.05030 -0.23672 16  GLU A O   
5    C CB  . GLU A 9   ? 0.75760 1.14215 0.71594 -0.01126 -0.04977 -0.26689 16  GLU A CB  
6    C CG  . GLU A 9   ? 0.80592 1.18476 0.76049 0.03877  -0.05945 -0.23381 16  GLU A CG  
7    C CD  . GLU A 9   ? 0.93759 1.23120 0.86748 0.05039  -0.05584 -0.22089 16  GLU A CD  
8    O OE1 . GLU A 9   ? 0.99834 1.22005 0.91641 0.02440  -0.04504 -0.22917 16  GLU A OE1 
9    O OE2 . GLU A 9   ? 0.92937 1.22706 0.85032 0.08937  -0.06033 -0.20047 16  GLU A OE2 
10   N N   . VAL A 10  ? 0.46157 0.66489 0.41215 -0.03267 -0.03518 -0.23673 17  VAL A N   
11   C CA  . VAL A 10  ? 0.36507 0.54236 0.32526 -0.02351 -0.03765 -0.21749 17  VAL A CA  
12   C C   . VAL A 10  ? 0.41112 0.55067 0.35945 0.01250  -0.04225 -0.19706 17  VAL A C   
13   O O   . VAL A 10  ? 0.44586 0.52993 0.37492 0.01576  -0.03289 -0.19795 17  VAL A O   
14   C CB  . VAL A 10  ? 0.43925 0.55038 0.39493 -0.05654 -0.02087 -0.22312 17  VAL A CB  
15   C CG1 . VAL A 10  ? 0.46834 0.56515 0.43738 -0.04673 -0.02498 -0.20452 17  VAL A CG1 
16   C CG2 . VAL A 10  ? 0.54330 0.68392 0.50640 -0.09469 -0.01074 -0.24572 17  VAL A CG2 
17   N N   . GLU A 11  ? 0.29115 0.45417 0.25094 0.04044  -0.05212 -0.17341 18  GLU A N   
18   C CA  . GLU A 11  ? 0.28552 0.40834 0.24313 0.06991  -0.05003 -0.14076 18  GLU A CA  
19   C C   . GLU A 11  ? 0.25723 0.33640 0.22780 0.06288  -0.04525 -0.12205 18  GLU A C   
20   O O   . GLU A 11  ? 0.24261 0.34188 0.22641 0.05399  -0.04863 -0.12196 18  GLU A O   
21   C CB  . GLU A 11  ? 0.30298 0.46990 0.25851 0.10460  -0.05669 -0.12431 18  GLU A CB  
22   C CG  . GLU A 11  ? 0.28368 0.49385 0.22159 0.12162  -0.06071 -0.13664 18  GLU A CG  
23   C CD  . GLU A 11  ? 0.41660 0.66588 0.34487 0.16250  -0.06249 -0.11640 18  GLU A CD  
24   O OE1 . GLU A 11  ? 0.45112 0.74484 0.39191 0.16755  -0.06215 -0.11437 18  GLU A OE1 
25   O OE2 . GLU A 11  ? 0.49452 0.72133 0.40760 0.18811  -0.05563 -0.09854 18  GLU A OE2 
26   N N   . THR A 12  ? 0.26541 0.29232 0.23142 0.06882  -0.03739 -0.10664 19  THR A N   
27   C CA  . THR A 12  ? 0.25208 0.24775 0.22821 0.06591  -0.03350 -0.08911 19  THR A CA  
28   C C   . THR A 12  ? 0.27814 0.27437 0.26074 0.08657  -0.03423 -0.06583 19  THR A C   
29   O O   . THR A 12  ? 0.23656 0.22677 0.21160 0.10129  -0.03094 -0.05949 19  THR A O   
30   C CB  . THR A 12  ? 0.27955 0.22293 0.24279 0.05860  -0.02099 -0.08950 19  THR A CB  
31   O OG1 . THR A 12  ? 0.31557 0.24581 0.26652 0.03381  -0.01327 -0.11465 19  THR A OG1 
32   C CG2 . THR A 12  ? 0.28184 0.20611 0.25372 0.05975  -0.01801 -0.07112 19  THR A CG2 
33   N N   . PHE A 13  ? 0.22787 0.22966 0.22296 0.08448  -0.03595 -0.05525 20  PHE A N   
34   C CA  . PHE A 13  ? 0.21958 0.22043 0.21937 0.09502  -0.03242 -0.03855 20  PHE A CA  
35   C C   . PHE A 13  ? 0.26207 0.25111 0.27277 0.08531  -0.03055 -0.03037 20  PHE A C   
36   O O   . PHE A 13  ? 0.24782 0.23264 0.26268 0.07400  -0.03299 -0.03396 20  PHE A O   
37   C CB  . PHE A 13  ? 0.22496 0.24302 0.22279 0.10280  -0.03214 -0.03524 20  PHE A CB  
38   C CG  . PHE A 13  ? 0.23206 0.27630 0.21664 0.11991  -0.03428 -0.04079 20  PHE A CG  
39   C CD1 . PHE A 13  ? 0.23106 0.30933 0.21654 0.11406  -0.04310 -0.05788 20  PHE A CD1 
40   C CD2 . PHE A 13  ? 0.27239 0.31144 0.24150 0.13695  -0.02535 -0.02934 20  PHE A CD2 
41   C CE1 . PHE A 13  ? 0.24625 0.36596 0.21936 0.13195  -0.04672 -0.06508 20  PHE A CE1 
42   C CE2 . PHE A 13  ? 0.31373 0.38095 0.26466 0.15343  -0.02658 -0.03195 20  PHE A CE2 
43   C CZ  . PHE A 13  ? 0.29183 0.40704 0.24706 0.15799  -0.03946 -0.05111 20  PHE A CZ  
44   N N   . ALA A 14  ? 0.22455 0.21444 0.23948 0.08884  -0.02510 -0.02041 21  ALA A N   
45   C CA  . ALA A 14  ? 0.21214 0.20805 0.23816 0.07910  -0.02414 -0.01534 21  ALA A CA  
46   C C   . ALA A 14  ? 0.20531 0.20137 0.23349 0.07024  -0.02069 -0.01543 21  ALA A C   
47   O O   . ALA A 14  ? 0.23488 0.22311 0.25440 0.07554  -0.01236 -0.01339 21  ALA A O   
48   C CB  . ALA A 14  ? 0.21225 0.22340 0.24379 0.08236  -0.01884 -0.00920 21  ALA A CB  
49   N N   . PHE A 15  ? 0.21009 0.20993 0.24482 0.05942  -0.02403 -0.01666 22  PHE A N   
50   C CA  . PHE A 15  ? 0.21282 0.20882 0.24665 0.04964  -0.01721 -0.01759 22  PHE A CA  
51   C C   . PHE A 15  ? 0.19913 0.20022 0.23502 0.03970  -0.00584 -0.01800 22  PHE A C   
52   O O   . PHE A 15  ? 0.23247 0.25815 0.27835 0.03757  -0.00820 -0.01761 22  PHE A O   
53   C CB  . PHE A 15  ? 0.20952 0.21285 0.24952 0.03918  -0.02258 -0.01978 22  PHE A CB  
54   C CG  . PHE A 15  ? 0.19583 0.19466 0.23404 0.04237  -0.02895 -0.02155 22  PHE A CG  
55   C CD1 . PHE A 15  ? 0.20950 0.20410 0.24043 0.04797  -0.02594 -0.02285 22  PHE A CD1 
56   C CD2 . PHE A 15  ? 0.19578 0.19568 0.23684 0.04088  -0.03463 -0.02172 22  PHE A CD2 
57   C CE1 . PHE A 15  ? 0.21000 0.21605 0.24293 0.04866  -0.03189 -0.02706 22  PHE A CE1 
58   C CE2 . PHE A 15  ? 0.19485 0.19315 0.23533 0.03686  -0.03701 -0.02682 22  PHE A CE2 
59   C CZ  . PHE A 15  ? 0.19997 0.20844 0.23967 0.03896  -0.03730 -0.03077 22  PHE A CZ  
60   N N   . GLN A 16  ? 0.23064 0.20886 0.25445 0.03370  0.00969  -0.01931 23  GLN A N   
61   C CA  . GLN A 16  ? 0.24476 0.22565 0.26986 0.01232  0.02531  -0.02569 23  GLN A CA  
62   C C   . GLN A 16  ? 0.24958 0.26702 0.29049 -0.00603 0.01667  -0.03434 23  GLN A C   
63   O O   . GLN A 16  ? 0.23119 0.25068 0.27338 -0.00341 0.00610  -0.03411 23  GLN A O   
64   C CB  . GLN A 16  ? 0.32442 0.25893 0.32561 0.00602  0.04997  -0.02712 23  GLN A CB  
65   C CG  . GLN A 16  ? 0.37737 0.27618 0.35542 0.02915  0.06425  -0.01590 23  GLN A CG  
66   C CD  . GLN A 16  ? 0.55671 0.40047 0.50202 0.03202  0.09166  -0.01322 23  GLN A CD  
67   O OE1 . GLN A 16  ? 0.56290 0.39448 0.49404 0.05459  0.08917  -0.00610 23  GLN A OE1 
68   N NE2 . GLN A 16  ? 0.61580 0.42517 0.54601 0.00916  0.12166  -0.01943 23  GLN A NE2 
69   N N   . ALA A 17  ? 0.23919 0.29353 0.29204 -0.02355 0.02152  -0.04228 24  ALA A N   
70   C CA  . ALA A 17  ? 0.22222 0.33107 0.29022 -0.03512 0.01108  -0.05013 24  ALA A CA  
71   C C   . ALA A 17  ? 0.21999 0.31670 0.28077 -0.05117 0.01350  -0.05964 24  ALA A C   
72   O O   . ALA A 17  ? 0.25842 0.38256 0.32477 -0.04553 -0.00077 -0.05838 24  ALA A O   
73   C CB  . ALA A 17  ? 0.29290 0.45570 0.37475 -0.05653 0.01943  -0.06220 24  ALA A CB  
74   N N   . GLU A 18  ? 0.29105 0.34180 0.33470 -0.06881 0.03466  -0.06808 25  GLU A N   
75   C CA  . GLU A 18  ? 0.28572 0.31995 0.31803 -0.08449 0.04076  -0.07876 25  GLU A CA  
76   C C   . GLU A 18  ? 0.26676 0.28002 0.29378 -0.05930 0.02685  -0.06570 25  GLU A C   
77   O O   . GLU A 18  ? 0.28000 0.30401 0.30624 -0.06524 0.02124  -0.07104 25  GLU A O   
78   C CB  . GLU A 18  ? 0.42357 0.39727 0.42954 -0.10507 0.07367  -0.08888 25  GLU A CB  
79   C CG  . GLU A 18  ? 0.45164 0.44213 0.46067 -0.14164 0.09472  -0.10771 25  GLU A CG  
80   C CD  . GLU A 18  ? 0.58869 0.57065 0.59986 -0.13067 0.10236  -0.09667 25  GLU A CD  
81   O OE1 . GLU A 18  ? 0.43155 0.40199 0.44339 -0.09385 0.08795  -0.07553 25  GLU A OE1 
82   O OE2 . GLU A 18  ? 0.66593 0.65460 0.67726 -0.16178 0.12467  -0.11141 25  GLU A OE2 
83   N N   . ILE A 19  ? 0.28558 0.27573 0.30932 -0.03303 0.02160  -0.05064 26  ILE A N   
84   C CA  . ILE A 19  ? 0.22656 0.20865 0.24856 -0.01464 0.00960  -0.04217 26  ILE A CA  
85   C C   . ILE A 19  ? 0.24807 0.26769 0.28684 -0.00924 -0.01004 -0.03827 26  ILE A C   
86   O O   . ILE A 19  ? 0.23992 0.26349 0.27889 -0.00731 -0.01683 -0.03698 26  ILE A O   
87   C CB  . ILE A 19  ? 0.25414 0.21154 0.26639 0.00904  0.01130  -0.03177 26  ILE A CB  
88   C CG1 . ILE A 19  ? 0.34300 0.25576 0.32814 0.01531  0.03415  -0.03008 26  ILE A CG1 
89   C CG2 . ILE A 19  ? 0.26018 0.23005 0.27850 0.02274  -0.00401 -0.02711 26  ILE A CG2 
90   C CD1 . ILE A 19  ? 0.49073 0.37375 0.46126 -0.00363 0.05928  -0.03709 26  ILE A CD1 
91   N N   . ALA A 20  ? 0.20691 0.25103 0.25591 -0.00428 -0.01606 -0.03489 27  ALA A N   
92   C CA  . ALA A 20  ? 0.20390 0.27541 0.25973 0.00585  -0.02817 -0.02855 27  ALA A CA  
93   C C   . ALA A 20  ? 0.19260 0.29832 0.25064 -0.00487 -0.03063 -0.03459 27  ALA A C   
94   O O   . ALA A 20  ? 0.21519 0.32716 0.27034 0.00475  -0.03705 -0.02799 27  ALA A O   
95   C CB  . ALA A 20  ? 0.22031 0.31305 0.28162 0.01749  -0.03025 -0.02296 27  ALA A CB  
96   N N   . GLN A 21  ? 0.19304 0.32078 0.25373 -0.02669 -0.02312 -0.04879 28  GLN A N   
97   C CA  . GLN A 21  ? 0.19079 0.35928 0.25246 -0.04151 -0.02497 -0.06032 28  GLN A CA  
98   C C   . GLN A 21  ? 0.23171 0.36808 0.28181 -0.04411 -0.02369 -0.06148 28  GLN A C   
99   O O   . GLN A 21  ? 0.25341 0.41751 0.30204 -0.04051 -0.03113 -0.06087 28  GLN A O   
100  C CB  . GLN A 21  ? 0.23385 0.42581 0.29846 -0.07368 -0.01212 -0.08189 28  GLN A CB  
101  C CG  . GLN A 21  ? 0.47264 0.74374 0.54561 -0.08827 -0.01781 -0.09698 28  GLN A CG  
102  C CD  . GLN A 21  ? 0.66493 0.94874 0.73560 -0.12053 0.00065  -0.11762 28  GLN A CD  
103  O OE1 . GLN A 21  ? 0.72968 1.05033 0.79375 -0.13484 0.00581  -0.13151 28  GLN A OE1 
104  N NE2 . GLN A 21  ? 0.47566 0.72742 0.54938 -0.13232 0.01365  -0.12029 28  GLN A NE2 
105  N N   . LEU A 22  ? 0.21551 0.29719 0.25470 -0.04741 -0.01255 -0.06240 29  LEU A N   
106  C CA  . LEU A 22  ? 0.23283 0.28603 0.26013 -0.04512 -0.00993 -0.06179 29  LEU A CA  
107  C C   . LEU A 22  ? 0.26017 0.32012 0.29283 -0.02561 -0.02332 -0.04754 29  LEU A C   
108  O O   . LEU A 22  ? 0.23624 0.30572 0.26510 -0.02560 -0.02641 -0.04745 29  LEU A O   
109  C CB  . LEU A 22  ? 0.27723 0.27637 0.28905 -0.04032 0.00523  -0.05993 29  LEU A CB  
110  C CG  . LEU A 22  ? 0.29213 0.26699 0.29171 -0.02889 0.00805  -0.05541 29  LEU A CG  
111  C CD1 . LEU A 22  ? 0.36825 0.33566 0.35320 -0.04642 0.01874  -0.06905 29  LEU A CD1 
112  C CD2 . LEU A 22  ? 0.33623 0.27250 0.32046 -0.01086 0.02054  -0.04772 29  LEU A CD2 
113  N N   . MET A 23  ? 0.20087 0.25249 0.23964 -0.01090 -0.02842 -0.03677 30  MET A N   
114  C CA  . MET A 23  ? 0.21285 0.26077 0.25278 0.00117  -0.03463 -0.02664 30  MET A CA  
115  C C   . MET A 23  ? 0.22488 0.29980 0.26336 0.00762  -0.03923 -0.02034 30  MET A C   
116  O O   . MET A 23  ? 0.21288 0.28383 0.24552 0.01222  -0.03897 -0.01434 30  MET A O   
117  C CB  . MET A 23  ? 0.18363 0.21452 0.22656 0.01049  -0.03577 -0.02154 30  MET A CB  
118  C CG  . MET A 23  ? 0.20065 0.21534 0.24172 0.01179  -0.03180 -0.02540 30  MET A CG  
119  S SD  . MET A 23  ? 0.23730 0.24580 0.28072 0.02120  -0.03419 -0.02404 30  MET A SD  
120  C CE  . MET A 23  ? 0.24942 0.25687 0.29477 0.01776  -0.03642 -0.02487 30  MET A CE  
121  N N   . SER A 24  ? 0.21175 0.31884 0.25351 0.01072  -0.04177 -0.02058 31  SER A N   
122  C CA  . SER A 24  ? 0.21997 0.36391 0.25609 0.02494  -0.04530 -0.01246 31  SER A CA  
123  C C   . SER A 24  ? 0.26786 0.43685 0.29937 0.01567  -0.04687 -0.02004 31  SER A C   
124  O O   . SER A 24  ? 0.26211 0.44001 0.28257 0.03066  -0.04731 -0.00929 31  SER A O   
125  C CB  . SER A 24  ? 0.27324 0.46378 0.31568 0.03156  -0.04810 -0.01316 31  SER A CB  
126  O OG  . SER A 24  ? 0.46809 0.70394 0.50157 0.05453  -0.05096 -0.00223 31  SER A OG  
127  N N   . LEU A 25  ? 0.20494 0.37951 0.24007 -0.00853 -0.04437 -0.03858 32  LEU A N   
128  C CA  . LEU A 25  ? 0.22347 0.41721 0.25084 -0.02028 -0.04388 -0.04963 32  LEU A CA  
129  C C   . LEU A 25  ? 0.29000 0.44587 0.30870 -0.01235 -0.04169 -0.04009 32  LEU A C   
130  O O   . LEU A 25  ? 0.25882 0.43419 0.26852 -0.00590 -0.04364 -0.03678 32  LEU A O   
131  C CB  . LEU A 25  ? 0.29357 0.48014 0.31956 -0.05067 -0.03432 -0.07316 32  LEU A CB  
132  C CG  . LEU A 25  ? 0.42622 0.62869 0.44020 -0.06937 -0.03008 -0.09141 32  LEU A CG  
133  C CD1 . LEU A 25  ? 0.42532 0.63797 0.43719 -0.10268 -0.01726 -0.11754 32  LEU A CD1 
134  C CD2 . LEU A 25  ? 0.40405 0.54874 0.40468 -0.06593 -0.02225 -0.08721 32  LEU A CD2 
135  N N   . ILE A 26  ? 0.21819 0.32730 0.23924 -0.01209 -0.03710 -0.03618 33  ILE A N   
136  C CA  . ILE A 26  ? 0.25683 0.34158 0.27315 -0.00733 -0.03416 -0.02973 33  ILE A CA  
137  C C   . ILE A 26  ? 0.24108 0.32795 0.25409 0.00763  -0.03524 -0.01387 33  ILE A C   
138  O O   . ILE A 26  ? 0.27294 0.35832 0.27812 0.01070  -0.03202 -0.00880 33  ILE A O   
139  C CB  . ILE A 26  ? 0.22424 0.27656 0.24495 -0.00743 -0.02983 -0.02999 33  ILE A CB  
140  C CG1 . ILE A 26  ? 0.26946 0.30619 0.28142 -0.01679 -0.02107 -0.04219 33  ILE A CG1 
141  C CG2 . ILE A 26  ? 0.23176 0.27491 0.25342 -0.00236 -0.02787 -0.02313 33  ILE A CG2 
142  C CD1 . ILE A 26  ? 0.29746 0.30729 0.30771 -0.00893 -0.01463 -0.04015 33  ILE A CD1 
143  N N   . ILE A 27  ? 0.24779 0.33224 0.26235 0.01826  -0.03602 -0.00508 34  ILE A N   
144  C CA  . ILE A 27  ? 0.28426 0.35198 0.28696 0.03369  -0.02920 0.01108  34  ILE A CA  
145  C C   . ILE A 27  ? 0.31813 0.41813 0.30532 0.05172  -0.02919 0.02117  34  ILE A C   
146  O O   . ILE A 27  ? 0.36181 0.44498 0.33214 0.06370  -0.01944 0.03468  34  ILE A O   
147  C CB  . ILE A 27  ? 0.29222 0.33723 0.29510 0.04101  -0.02585 0.01642  34  ILE A CB  
148  C CG1 . ILE A 27  ? 0.28456 0.30229 0.29884 0.02535  -0.02454 0.00695  34  ILE A CG1 
149  C CG2 . ILE A 27  ? 0.32106 0.34087 0.30148 0.06094  -0.01256 0.03423  34  ILE A CG2 
150  C CD1 . ILE A 27  ? 0.29404 0.29736 0.31066 0.02869  -0.02424 0.00600  34  ILE A CD1 
151  N N   . ASN A 28  ? 0.27387 0.42553 0.26485 0.05371  -0.03832 0.01401  35  ASN A N   
152  C CA  . ASN A 28  ? 0.30192 0.50272 0.27769 0.07767  -0.03991 0.02422  35  ASN A CA  
153  C C   . ASN A 28  ? 0.36268 0.60824 0.33444 0.06980  -0.04550 0.01301  35  ASN A C   
154  O O   . ASN A 28  ? 0.42516 0.71210 0.37957 0.09404  -0.04573 0.02397  35  ASN A O   
155  C CB  . ASN A 28  ? 0.31138 0.56206 0.29386 0.08782  -0.04645 0.02249  35  ASN A CB  
156  C CG  . ASN A 28  ? 0.45762 0.66704 0.43549 0.10501  -0.03876 0.03746  35  ASN A CG  
157  O OD1 . ASN A 28  ? 0.47746 0.63382 0.43567 0.12152  -0.02537 0.05498  35  ASN A OD1 
158  N ND2 . ASN A 28  ? 0.55891 0.78790 0.55217 0.09899  -0.04398 0.02925  35  ASN A ND2 
159  N N   . THR A 29  ? 0.27874 0.51724 0.26135 0.03997  -0.04794 -0.00804 36  THR A N   
160  C CA  . THR A 29  ? 0.27929 0.55606 0.25436 0.02956  -0.05095 -0.02256 36  THR A CA  
161  C C   . THR A 29  ? 0.30167 0.55395 0.26056 0.04281  -0.04464 -0.00822 36  THR A C   
162  O O   . THR A 29  ? 0.30616 0.50202 0.26732 0.04021  -0.03683 0.00005  36  THR A O   
163  C CB  . THR A 29  ? 0.28554 0.54563 0.26871 -0.00496 -0.04854 -0.04887 36  THR A CB  
164  O OG1 . THR A 29  ? 0.29013 0.57175 0.28606 -0.02014 -0.05033 -0.06274 36  THR A OG1 
165  C CG2 . THR A 29  ? 0.34692 0.64068 0.31747 -0.01895 -0.04850 -0.06779 36  THR A CG2 
166  N N   . PHE A 30  ? 0.30146 0.60297 0.24385 0.05703  -0.04727 -0.00597 37  PHE A N   
167  C CA  . PHE A 30  ? 0.29498 0.57383 0.22072 0.06633  -0.03947 0.00528  37  PHE A CA  
168  C C   . PHE A 30  ? 0.35212 0.61087 0.28286 0.03798  -0.03827 -0.01580 37  PHE A C   
169  O O   . PHE A 30  ? 0.28379 0.57818 0.21310 0.01953  -0.04319 -0.04014 37  PHE A O   
170  C CB  . PHE A 30  ? 0.28299 0.62144 0.18507 0.09414  -0.04145 0.01516  37  PHE A CB  
171  C CG  . PHE A 30  ? 0.32428 0.63718 0.20654 0.10493  -0.03090 0.02845  37  PHE A CG  
172  C CD1 . PHE A 30  ? 0.44656 0.69872 0.31737 0.12158  -0.01394 0.05520  37  PHE A CD1 
173  C CD2 . PHE A 30  ? 0.33030 0.67663 0.20378 0.09503  -0.03493 0.01210  37  PHE A CD2 
174  C CE1 . PHE A 30  ? 0.40143 0.62994 0.25432 0.12850  -0.00094 0.06713  37  PHE A CE1 
175  C CE2 . PHE A 30  ? 0.37273 0.69619 0.22776 0.10579  -0.02415 0.02513  37  PHE A CE2 
176  C CZ  . PHE A 30  ? 0.39710 0.66351 0.24302 0.12258  -0.00717 0.05338  37  PHE A CZ  
177  N N   . TYR A 31  ? 0.26129 0.46454 0.19543 0.03433  -0.02917 -0.00779 38  TYR A N   
178  C CA  . TYR A 31  ? 0.24333 0.42362 0.17930 0.01534  -0.02517 -0.02364 38  TYR A CA  
179  C C   . TYR A 31  ? 0.27117 0.41666 0.20694 0.02165  -0.01506 -0.00864 38  TYR A C   
180  O O   . TYR A 31  ? 0.26253 0.37943 0.21159 0.02060  -0.01118 -0.00028 38  TYR A O   
181  C CB  . TYR A 31  ? 0.27434 0.43199 0.22450 -0.00253 -0.02562 -0.03820 38  TYR A CB  
182  C CG  . TYR A 31  ? 0.29502 0.41986 0.23986 -0.01343 -0.01647 -0.04984 38  TYR A CG  
183  C CD1 . TYR A 31  ? 0.35548 0.48694 0.28274 -0.02640 -0.01163 -0.06996 38  TYR A CD1 
184  C CD2 . TYR A 31  ? 0.37328 0.46377 0.32728 -0.00905 -0.01074 -0.04174 38  TYR A CD2 
185  C CE1 . TYR A 31  ? 0.44925 0.54223 0.36357 -0.03100 0.00148  -0.07866 38  TYR A CE1 
186  C CE2 . TYR A 31  ? 0.39637 0.46147 0.34025 -0.01012 -0.00016 -0.04924 38  TYR A CE2 
187  C CZ  . TYR A 31  ? 0.44026 0.50055 0.36215 -0.01940 0.00728  -0.06619 38  TYR A CZ  
188  O OH  . TYR A 31  ? 0.64398 0.66965 0.54761 -0.01612 0.02258  -0.07232 38  TYR A OH  
189  N N   . SER A 32  ? 0.26158 0.41465 0.18272 0.02574  -0.01001 -0.00775 39  SER A N   
190  C CA  . SER A 32  ? 0.26907 0.39984 0.18944 0.03185  0.00172  0.00816  39  SER A CA  
191  C C   . SER A 32  ? 0.33107 0.43992 0.26620 0.02072  0.00685  0.00158  39  SER A C   
192  O O   . SER A 32  ? 0.28971 0.38679 0.23380 0.01945  0.01591  0.01159  39  SER A O   
193  C CB  . SER A 32  ? 0.31102 0.46130 0.20894 0.04324  0.00660  0.01353  39  SER A CB  
194  O OG  . SER A 32  ? 0.32256 0.49694 0.20399 0.06257  0.00475  0.02657  39  SER A OG  
195  N N   . ASN A 33  ? 0.28418 0.38888 0.21939 0.01334  0.00410  -0.01522 40  ASN A N   
196  C CA  . ASN A 33  ? 0.28730 0.37745 0.22717 0.01327  0.01155  -0.01914 40  ASN A CA  
197  C C   . ASN A 33  ? 0.29629 0.37730 0.25664 0.01126  0.00961  -0.01722 40  ASN A C   
198  O O   . ASN A 33  ? 0.27907 0.34698 0.23845 0.01308  0.01126  -0.02488 40  ASN A O   
199  C CB  . ASN A 33  ? 0.37369 0.45157 0.29322 0.01085  0.01615  -0.03613 40  ASN A CB  
200  C CG  . ASN A 33  ? 0.37092 0.43066 0.28540 0.02062  0.02794  -0.03707 40  ASN A CG  
201  O OD1 . ASN A 33  ? 0.34798 0.42237 0.27102 0.02987  0.03220  -0.02679 40  ASN A OD1 
202  N ND2 . ASN A 33  ? 0.40831 0.43698 0.30471 0.01966  0.03660  -0.04974 40  ASN A ND2 
203  N N   . LYS A 34  ? 0.27672 0.25826 0.22116 -0.01304 -0.04751 -0.02389 41  LYS A N   
204  C CA  . LYS A 34  ? 0.23453 0.25336 0.21630 -0.00841 -0.03125 -0.02090 41  LYS A CA  
205  C C   . LYS A 34  ? 0.25830 0.26410 0.23444 -0.00324 -0.01885 -0.03340 41  LYS A C   
206  O O   . LYS A 34  ? 0.24038 0.26430 0.23726 -0.00253 -0.01343 -0.03160 41  LYS A O   
207  C CB  . LYS A 34  ? 0.23594 0.27103 0.22666 0.00549  -0.01728 -0.01920 41  LYS A CB  
208  C CG  . LYS A 34  ? 0.25384 0.31618 0.25820 0.00842  -0.02390 -0.00095 41  LYS A CG  
209  C CD  . LYS A 34  ? 0.27822 0.33732 0.27260 0.02982  -0.01095 -0.00272 41  LYS A CD  
210  C CE  . LYS A 34  ? 0.25319 0.34555 0.25992 0.04341  -0.01171 0.01948  41  LYS A CE  
211  N NZ  . LYS A 34  ? 0.23218 0.37331 0.26372 0.06248  -0.00225 0.04509  41  LYS A NZ  
212  N N   . GLU A 35  ? 0.26468 0.24309 0.21163 0.00529  -0.01253 -0.04133 42  GLU A N   
213  C CA  . GLU A 35  ? 0.25316 0.23522 0.20588 0.01362  0.00249  -0.04337 42  GLU A CA  
214  C C   . GLU A 35  ? 0.28135 0.25659 0.23546 0.00851  -0.00420 -0.04751 42  GLU A C   
215  O O   . GLU A 35  ? 0.27307 0.25992 0.24262 0.01241  0.00607  -0.04704 42  GLU A O   
216  C CB  . GLU A 35  ? 0.28929 0.25509 0.20938 0.03459  0.01629  -0.03994 42  GLU A CB  
217  C CG  . GLU A 35  ? 0.31891 0.22925 0.17452 0.04933  0.00631  -0.04898 42  GLU A CG  
218  C CD  . GLU A 35  ? 0.43347 0.32260 0.23745 0.08656  0.02638  -0.04232 42  GLU A CD  
219  O OE1 . GLU A 35  ? 0.51996 0.42947 0.33165 0.09168  0.03743  -0.03189 42  GLU A OE1 
220  O OE2 . GLU A 35  ? 0.61196 0.46159 0.36129 0.11589  0.03227  -0.04495 42  GLU A OE2 
221  N N   . ILE A 36  ? 0.27577 0.23236 0.21649 -0.00375 -0.02595 -0.04654 43  ILE A N   
222  C CA  . ILE A 36  ? 0.25721 0.20421 0.19907 -0.01249 -0.03692 -0.04593 43  ILE A CA  
223  C C   . ILE A 36  ? 0.24882 0.24094 0.23666 -0.01621 -0.02599 -0.03957 43  ILE A C   
224  O O   . ILE A 36  ? 0.25520 0.24424 0.24690 -0.02012 -0.02910 -0.03918 43  ILE A O   
225  C CB  . ILE A 36  ? 0.33429 0.25112 0.25780 -0.03446 -0.07388 -0.03544 43  ILE A CB  
226  C CG1 . ILE A 36  ? 0.31650 0.28669 0.28868 -0.05084 -0.08173 -0.01191 43  ILE A CG1 
227  C CG2 . ILE A 36  ? 0.43510 0.27426 0.28144 -0.02474 -0.09255 -0.04673 43  ILE A CG2 
228  C CD1 . ILE A 36  ? 0.32583 0.34853 0.34909 -0.06213 -0.08223 0.01211  43  ILE A CD1 
229  N N   . PHE A 37  ? 0.19278 0.21571 0.20300 -0.01034 -0.01469 -0.03499 44  PHE A N   
230  C CA  . PHE A 37  ? 0.19005 0.23381 0.21719 -0.00290 -0.00546 -0.03145 44  PHE A CA  
231  C C   . PHE A 37  ? 0.22629 0.25441 0.24915 -0.00093 -0.00046 -0.04225 44  PHE A C   
232  O O   . PHE A 37  ? 0.19033 0.22365 0.21897 0.00051  0.00048  -0.04071 44  PHE A O   
233  C CB  . PHE A 37  ? 0.19755 0.24701 0.21987 0.01306  0.00241  -0.02943 44  PHE A CB  
234  C CG  . PHE A 37  ? 0.19176 0.21357 0.20011 0.01420  0.00237  -0.04039 44  PHE A CG  
235  C CD1 . PHE A 37  ? 0.25244 0.26841 0.25841 0.00933  0.00182  -0.04085 44  PHE A CD1 
236  C CD2 . PHE A 37  ? 0.23435 0.23577 0.23289 0.01730  -0.00167 -0.04419 44  PHE A CD2 
237  C CE1 . PHE A 37  ? 0.20461 0.20777 0.21107 0.00498  -0.00121 -0.03779 44  PHE A CE1 
238  C CE2 . PHE A 37  ? 0.27451 0.25410 0.27029 0.00830  -0.01231 -0.04263 44  PHE A CE2 
239  C CZ  . PHE A 37  ? 0.20570 0.19261 0.21159 0.00091  -0.01137 -0.03595 44  PHE A CZ  
240  N N   . LEU A 38  ? 0.20201 0.21825 0.21844 0.00088  0.00360  -0.04682 45  LEU A N   
241  C CA  . LEU A 38  ? 0.18490 0.20210 0.21085 0.00206  0.00705  -0.04543 45  LEU A CA  
242  C C   . LEU A 38  ? 0.20502 0.21489 0.22412 0.00454  0.00807  -0.04845 45  LEU A C   
243  O O   . LEU A 38  ? 0.21499 0.22862 0.24442 0.00332  0.00737  -0.04782 45  LEU A O   
244  C CB  . LEU A 38  ? 0.19025 0.21648 0.22510 0.00442  0.01271  -0.03404 45  LEU A CB  
245  C CG  . LEU A 38  ? 0.19762 0.24065 0.25846 0.00082  0.01155  -0.01799 45  LEU A CG  
246  C CD1 . LEU A 38  ? 0.21700 0.24120 0.27842 -0.01222 -0.00859 -0.02056 45  LEU A CD1 
247  C CD2 . LEU A 38  ? 0.25291 0.32475 0.33665 0.00228  0.01823  0.00925  45  LEU A CD2 
248  N N   . ARG A 39  ? 0.23443 0.22122 0.22527 0.00888  0.00475  -0.05215 46  ARG A N   
249  C CA  . ARG A 39  ? 0.24505 0.20224 0.21067 0.01211  -0.00265 -0.05629 46  ARG A CA  
250  C C   . ARG A 39  ? 0.25318 0.22142 0.23974 -0.00502 -0.01388 -0.05297 46  ARG A C   
251  O O   . ARG A 39  ? 0.26879 0.23124 0.25542 -0.00341 -0.01392 -0.05393 46  ARG A O   
252  C CB  . ARG A 39  ? 0.31700 0.22092 0.22777 0.01672  -0.01846 -0.06128 46  ARG A CB  
253  C CG  . ARG A 39  ? 0.40896 0.25730 0.27568 0.01712  -0.03853 -0.06570 46  ARG A CG  
254  C CD  . ARG A 39  ? 0.55765 0.32827 0.35311 0.01551  -0.07042 -0.06995 46  ARG A CD  
255  N NE  . ARG A 39  ? 0.53638 0.32243 0.36156 -0.02130 -0.09876 -0.05658 46  ARG A NE  
256  C CZ  . ARG A 39  ? 0.58796 0.33570 0.38055 -0.02906 -0.12406 -0.04845 46  ARG A CZ  
257  N NH1 . ARG A 39  ? 0.65921 0.34257 0.38005 -0.00069 -0.12536 -0.05495 46  ARG A NH1 
258  N NH2 . ARG A 39  ? 0.65961 0.43928 0.49505 -0.06248 -0.14753 -0.02635 46  ARG A NH2 
259  N N   . GLU A 40  ? 0.20862 0.20007 0.21515 -0.01717 -0.02033 -0.04365 47  GLU A N   
260  C CA  . GLU A 40  ? 0.19926 0.21441 0.22860 -0.02759 -0.02669 -0.02856 47  GLU A CA  
261  C C   . GLU A 40  ? 0.20612 0.23889 0.24696 -0.01533 -0.01117 -0.03134 47  GLU A C   
262  O O   . GLU A 40  ? 0.18398 0.22181 0.23107 -0.01805 -0.01310 -0.02479 47  GLU A O   
263  C CB  . GLU A 40  ? 0.18143 0.23286 0.23443 -0.03491 -0.03201 -0.00607 47  GLU A CB  
264  C CG  . GLU A 40  ? 0.23902 0.26570 0.27880 -0.05455 -0.05927 0.00155  47  GLU A CG  
265  C CD  . GLU A 40  ? 0.36293 0.33967 0.37618 -0.07402 -0.09016 0.00412  47  GLU A CD  
266  O OE1 . GLU A 40  ? 0.31782 0.31038 0.35091 -0.08234 -0.09343 0.01747  47  GLU A OE1 
267  O OE2 . GLU A 40  ? 0.44546 0.35636 0.40693 -0.07834 -0.11406 -0.00669 47  GLU A OE2 
268  N N   . LEU A 41  ? 0.18061 0.21344 0.21753 -0.00340 -0.00145 -0.03929 48  LEU A N   
269  C CA  . LEU A 41  ? 0.19510 0.22191 0.22523 0.00672  0.00169  -0.04226 48  LEU A CA  
270  C C   . LEU A 41  ? 0.21301 0.22788 0.24690 0.00143  -0.00158 -0.04802 48  LEU A C   
271  O O   . LEU A 41  ? 0.19036 0.20030 0.22051 0.00439  -0.00371 -0.04765 48  LEU A O   
272  C CB  . LEU A 41  ? 0.21563 0.22428 0.22733 0.01629  -0.00047 -0.04658 48  LEU A CB  
273  C CG  . LEU A 41  ? 0.21753 0.23595 0.21669 0.03296  0.00650  -0.03899 48  LEU A CG  
274  C CD1 . LEU A 41  ? 0.23585 0.21605 0.20227 0.04287  -0.00166 -0.04605 48  LEU A CD1 
275  C CD2 . LEU A 41  ? 0.22074 0.25764 0.20974 0.05598  0.01776  -0.02411 48  LEU A CD2 
276  N N   . ILE A 42  ? 0.16633 0.17889 0.20471 -0.00070 0.00021  -0.04946 49  ILE A N   
277  C CA  . ILE A 42  ? 0.20505 0.21799 0.25037 0.00263  0.00209  -0.04644 49  ILE A CA  
278  C C   . ILE A 42  ? 0.22285 0.22215 0.25602 0.00319  -0.00022 -0.05006 49  ILE A C   
279  O O   . ILE A 42  ? 0.20587 0.20525 0.24417 0.00512  -0.00113 -0.04828 49  ILE A O   
280  C CB  . ILE A 42  ? 0.18026 0.20234 0.22826 0.01330  0.01228  -0.03801 49  ILE A CB  
281  C CG1 . ILE A 42  ? 0.17276 0.21531 0.24606 0.00530  0.00850  -0.02360 49  ILE A CG1 
282  C CG2 . ILE A 42  ? 0.20280 0.22926 0.25022 0.02965  0.02104  -0.02947 49  ILE A CG2 
283  C CD1 . ILE A 42  ? 0.18036 0.24731 0.26362 0.01789  0.02297  -0.00501 49  ILE A CD1 
284  N N   . SER A 43  ? 0.22709 0.21112 0.24410 -0.00257 -0.00736 -0.05144 50  SER A N   
285  C CA  . SER A 43  ? 0.24351 0.20534 0.24681 -0.00982 -0.02013 -0.04904 50  SER A CA  
286  C C   . SER A 43  ? 0.22196 0.21010 0.24850 -0.01695 -0.01972 -0.03939 50  SER A C   
287  O O   . SER A 43  ? 0.22522 0.20337 0.24852 -0.01805 -0.02377 -0.03778 50  SER A O   
288  C CB  . SER A 43  ? 0.33089 0.26383 0.31173 -0.02326 -0.04097 -0.04445 50  SER A CB  
289  O OG  . SER A 43  ? 0.41477 0.32656 0.38894 -0.04092 -0.06393 -0.03300 50  SER A OG  
290  N N   . ASN A 44  ? 0.18802 0.20632 0.22977 -0.01493 -0.01271 -0.03144 51  ASN A N   
291  C CA  . ASN A 44  ? 0.17053 0.20912 0.21807 -0.00712 -0.00619 -0.02023 51  ASN A CA  
292  C C   . ASN A 44  ? 0.19487 0.21450 0.22999 0.00185  -0.00477 -0.03286 51  ASN A C   
293  O O   . ASN A 44  ? 0.18562 0.20608 0.21775 0.00496  -0.00464 -0.02710 51  ASN A O   
294  C CB  . ASN A 44  ? 0.19963 0.26296 0.24516 0.01004  0.00559  -0.00903 51  ASN A CB  
295  C CG  . ASN A 44  ? 0.28078 0.38228 0.35231 0.00103  0.00383  0.01709  51  ASN A CG  
296  O OD1 . ASN A 44  ? 0.24598 0.35138 0.33604 -0.02395 -0.01338 0.03141  51  ASN A OD1 
297  N ND2 . ASN A 44  ? 0.24534 0.37220 0.31476 0.02232  0.01745  0.02922  51  ASN A ND2 
298  N N   . SER A 45  ? 0.18248 0.18831 0.21371 0.00375  -0.00694 -0.04395 52  SER A N   
299  C CA  . SER A 45  ? 0.20965 0.20130 0.23806 0.00459  -0.01497 -0.04661 52  SER A CA  
300  C C   . SER A 45  ? 0.16757 0.16174 0.20745 0.00187  -0.01447 -0.04496 52  SER A C   
301  O O   . SER A 45  ? 0.19436 0.18191 0.23066 0.00321  -0.01980 -0.04330 52  SER A O   
302  C CB  . SER A 45  ? 0.18629 0.17422 0.22319 -0.00099 -0.02364 -0.04468 52  SER A CB  
303  O OG  . SER A 45  ? 0.23146 0.19611 0.24228 0.00305  -0.03218 -0.04772 52  SER A OG  
304  N N   . SER A 46  ? 0.17283 0.16618 0.21417 0.00297  -0.00946 -0.04586 53  SER A N   
305  C CA  . SER A 46  ? 0.21865 0.19803 0.25141 0.00996  -0.00935 -0.04526 53  SER A CA  
306  C C   . SER A 46  ? 0.24593 0.21322 0.27026 0.00162  -0.01740 -0.04373 53  SER A C   
307  O O   . SER A 46  ? 0.22729 0.18788 0.25001 0.00566  -0.01945 -0.04216 53  SER A O   
308  C CB  . SER A 46  ? 0.22717 0.18252 0.23318 0.02216  -0.00598 -0.04857 53  SER A CB  
309  O OG  . SER A 46  ? 0.28164 0.20468 0.25789 0.03866  -0.00722 -0.04927 53  SER A OG  
310  N N   . ASP A 47  ? 0.20087 0.17324 0.22592 -0.01045 -0.02236 -0.03708 54  ASP A N   
311  C CA  . ASP A 47  ? 0.21437 0.19150 0.24362 -0.02045 -0.02961 -0.02229 54  ASP A CA  
312  C C   . ASP A 47  ? 0.22551 0.21887 0.25806 -0.00950 -0.02052 -0.01993 54  ASP A C   
313  O O   . ASP A 47  ? 0.23767 0.22533 0.26783 -0.01123 -0.02451 -0.01347 54  ASP A O   
314  C CB  . ASP A 47  ? 0.20772 0.21076 0.25380 -0.03502 -0.03538 0.00037  54  ASP A CB  
315  C CG  . ASP A 47  ? 0.37148 0.34076 0.40389 -0.05383 -0.05910 0.00287  54  ASP A CG  
316  O OD1 . ASP A 47  ? 0.34815 0.34177 0.39934 -0.06755 -0.06684 0.02207  54  ASP A OD1 
317  O OD2 . ASP A 47  ? 0.35429 0.26714 0.34878 -0.04969 -0.07060 -0.01372 54  ASP A OD2 
318  N N   . ALA A 48  ? 0.16958 0.17008 0.19612 0.00308  -0.01286 -0.02561 55  ALA A N   
319  C CA  . ALA A 48  ? 0.20384 0.19411 0.20879 0.01779  -0.01231 -0.02622 55  ALA A CA  
320  C C   . ALA A 48  ? 0.22692 0.19822 0.23271 0.01371  -0.02354 -0.03392 55  ALA A C   
321  O O   . ALA A 48  ? 0.22540 0.18552 0.21582 0.01985  -0.02743 -0.03110 55  ALA A O   
322  C CB  . ALA A 48  ? 0.22138 0.19491 0.19870 0.03239  -0.01302 -0.03291 55  ALA A CB  
323  N N   . LEU A 49  ? 0.20567 0.17849 0.22980 0.00719  -0.02756 -0.03838 56  LEU A N   
324  C CA  . LEU A 49  ? 0.19970 0.17229 0.23698 0.00658  -0.03543 -0.03429 56  LEU A CA  
325  C C   . LEU A 49  ? 0.21982 0.18719 0.25445 0.01002  -0.03134 -0.03298 56  LEU A C   
326  O O   . LEU A 49  ? 0.24051 0.20372 0.27560 0.01230  -0.03788 -0.02877 56  LEU A O   
327  C CB  . LEU A 49  ? 0.20931 0.20239 0.27338 0.00628  -0.03363 -0.02655 56  LEU A CB  
328  C CG  . LEU A 49  ? 0.18342 0.17424 0.25174 -0.00443 -0.04915 -0.02157 56  LEU A CG  
329  C CD1 . LEU A 49  ? 0.18227 0.20045 0.27703 -0.00516 -0.04120 -0.01116 56  LEU A CD1 
330  C CD2 . LEU A 49  ? 0.21153 0.19211 0.28538 -0.01540 -0.07690 -0.00786 56  LEU A CD2 
331  N N   . ASP A 50  ? 0.21189 0.16986 0.23764 0.00844  -0.02690 -0.03507 57  ASP A N   
332  C CA  . ASP A 50  ? 0.22195 0.15501 0.23173 0.00854  -0.03279 -0.03274 57  ASP A CA  
333  C C   . ASP A 50  ? 0.24603 0.18444 0.25659 0.00181  -0.03661 -0.02411 57  ASP A C   
334  O O   . ASP A 50  ? 0.27584 0.19937 0.27906 0.00471  -0.04178 -0.02163 57  ASP A O   
335  C CB  . ASP A 50  ? 0.25564 0.15931 0.24428 -0.00054 -0.04239 -0.03229 57  ASP A CB  
336  C CG  . ASP A 50  ? 0.34638 0.22351 0.30966 0.01638  -0.03932 -0.04180 57  ASP A CG  
337  O OD1 . ASP A 50  ? 0.32893 0.22427 0.30075 0.03822  -0.02421 -0.04216 57  ASP A OD1 
338  O OD2 . ASP A 50  ? 0.38794 0.22604 0.32104 0.00830  -0.05443 -0.04317 57  ASP A OD2 
339  N N   . LYS A 51  ? 0.22039 0.18059 0.23503 -0.00109 -0.03134 -0.01621 58  LYS A N   
340  C CA  . LYS A 51  ? 0.22612 0.19713 0.23541 0.00202  -0.02864 -0.00061 58  LYS A CA  
341  C C   . LYS A 51  ? 0.27002 0.22567 0.26161 0.01484  -0.03142 -0.00846 58  LYS A C   
342  O O   . LYS A 51  ? 0.29500 0.24524 0.28013 0.01593  -0.03401 -0.00020 58  LYS A O   
343  C CB  . LYS A 51  ? 0.23316 0.23687 0.24377 0.01046  -0.01531 0.01697  58  LYS A CB  
344  C CG  . LYS A 51  ? 0.25885 0.28606 0.29625 -0.00809 -0.01868 0.03449  58  LYS A CG  
345  C CD  . LYS A 51  ? 0.28454 0.35884 0.33039 0.00755  -0.00066 0.05924  58  LYS A CD  
346  C CE  . LYS A 51  ? 0.38206 0.48817 0.46655 -0.01894 -0.01172 0.08762  58  LYS A CE  
347  N NZ  . LYS A 51  ? 0.47487 0.63802 0.57732 -0.00203 0.00713  0.11674  58  LYS A NZ  
348  N N   . ILE A 52  ? 0.23533 0.17929 0.21731 0.02113  -0.03694 -0.02059 59  ILE A N   
349  C CA  . ILE A 52  ? 0.25699 0.17650 0.21810 0.02695  -0.05169 -0.02310 59  ILE A CA  
350  C C   . ILE A 52  ? 0.25003 0.17449 0.23801 0.01928  -0.05929 -0.02089 59  ILE A C   
351  O O   . ILE A 52  ? 0.28029 0.19234 0.25789 0.02205  -0.06852 -0.01705 59  ILE A O   
352  C CB  . ILE A 52  ? 0.30360 0.19492 0.23981 0.02923  -0.06934 -0.02990 59  ILE A CB  
353  C CG1 . ILE A 52  ? 0.36757 0.21603 0.26712 0.03217  -0.09619 -0.02924 59  ILE A CG1 
354  C CG2 . ILE A 52  ? 0.27873 0.19004 0.25629 0.01342  -0.07513 -0.02911 59  ILE A CG2 
355  C CD1 . ILE A 52  ? 0.43241 0.25522 0.27536 0.05775  -0.08716 -0.02829 59  ILE A CD1 
356  N N   . ARG A 53  ? 0.24727 0.18768 0.26243 0.01635  -0.05305 -0.02108 60  ARG A N   
357  C CA  . ARG A 53  ? 0.26607 0.21080 0.29601 0.02324  -0.05356 -0.01456 60  ARG A CA  
358  C C   . ARG A 53  ? 0.26770 0.19066 0.27796 0.02527  -0.05321 -0.01448 60  ARG A C   
359  O O   . ARG A 53  ? 0.29811 0.21653 0.30828 0.03078  -0.05950 -0.00874 60  ARG A O   
360  C CB  . ARG A 53  ? 0.28515 0.24111 0.32662 0.03411  -0.04149 -0.01304 60  ARG A CB  
361  C CG  . ARG A 53  ? 0.36264 0.31977 0.40531 0.05651  -0.03607 -0.00235 60  ARG A CG  
362  C CD  . ARG A 53  ? 0.60830 0.57174 0.64575 0.08257  -0.01906 0.00321  60  ARG A CD  
363  N NE  . ARG A 53  ? 0.52334 0.54740 0.61068 0.08909  -0.01269 0.02959  60  ARG A NE  
364  C CZ  . ARG A 53  ? 0.59881 0.64536 0.69318 0.10516  0.00349  0.03931  60  ARG A CZ  
365  N NH1 . ARG A 53  ? 0.50866 0.51197 0.55498 0.11627  0.01227  0.01865  60  ARG A NH1 
366  N NH2 . ARG A 53  ? 0.42643 0.54090 0.57816 0.10830  0.00739  0.07598  60  ARG A NH2 
367  N N   . TYR A 54  ? 0.25326 0.16436 0.25009 0.01697  -0.05042 -0.01520 61  TYR A N   
368  C CA  . TYR A 54  ? 0.27920 0.16806 0.26101 0.01101  -0.05766 -0.00683 61  TYR A CA  
369  C C   . TYR A 54  ? 0.32784 0.22620 0.30655 0.01246  -0.05808 0.00166  61  TYR A C   
370  O O   . TYR A 54  ? 0.33281 0.21461 0.30296 0.01474  -0.06480 0.00624  61  TYR A O   
371  C CB  . TYR A 54  ? 0.30480 0.18843 0.28447 -0.00743 -0.06354 0.00377  61  TYR A CB  
372  C CG  . TYR A 54  ? 0.37856 0.23628 0.34668 -0.02175 -0.08043 0.02115  61  TYR A CG  
373  C CD1 . TYR A 54  ? 0.37540 0.17199 0.30855 -0.01841 -0.09822 0.01429  61  TYR A CD1 
374  C CD2 . TYR A 54  ? 0.32437 0.21595 0.31003 -0.03290 -0.07811 0.04824  61  TYR A CD2 
375  C CE1 . TYR A 54  ? 0.42098 0.18119 0.33710 -0.03502 -0.12125 0.03154  61  TYR A CE1 
376  C CE2 . TYR A 54  ? 0.40949 0.28342 0.39211 -0.05072 -0.09654 0.07231  61  TYR A CE2 
377  C CZ  . TYR A 54  ? 0.44853 0.25225 0.39662 -0.05608 -0.12189 0.06256  61  TYR A CZ  
378  O OH  . TYR A 54  ? 0.47837 0.25214 0.41731 -0.07773 -0.14781 0.08802  61  TYR A OH  
379  N N   . GLU A 55  ? 0.30559 0.22163 0.27942 0.01694  -0.05124 0.00363  62  GLU A N   
380  C CA  . GLU A 55  ? 0.35833 0.26962 0.30794 0.02832  -0.05107 0.01130  62  GLU A CA  
381  C C   . GLU A 55  ? 0.39545 0.28570 0.33789 0.03246  -0.06682 0.00263  62  GLU A C   
382  O O   . GLU A 55  ? 0.42324 0.30100 0.34917 0.03755  -0.07187 0.00905  62  GLU A O   
383  C CB  . GLU A 55  ? 0.38469 0.30009 0.30614 0.04556  -0.04109 0.01323  62  GLU A CB  
384  C CG  . GLU A 55  ? 0.43752 0.39028 0.36543 0.05110  -0.02124 0.04112  62  GLU A CG  
385  C CD  . GLU A 55  ? 0.53117 0.48756 0.41885 0.08405  -0.00439 0.04729  62  GLU A CD  
386  O OE1 . GLU A 55  ? 0.56575 0.47298 0.40158 0.10216  -0.01536 0.02595  62  GLU A OE1 
387  O OE2 . GLU A 55  ? 0.52798 0.53247 0.43131 0.09360  0.01656  0.07798  62  GLU A OE2 
388  N N   . SER A 56  ? 0.33277 0.22568 0.29376 0.02877  -0.07624 -0.00511 63  SER A N   
389  C CA  . SER A 56  ? 0.36251 0.25054 0.33260 0.02781  -0.09611 -0.00039 63  SER A CA  
390  C C   . SER A 56  ? 0.32608 0.22155 0.31441 0.03285  -0.09295 0.00704  63  SER A C   
391  O O   . SER A 56  ? 0.37037 0.26726 0.36722 0.03438  -0.10821 0.01707  63  SER A O   
392  C CB  . SER A 56  ? 0.37628 0.28219 0.37671 0.01937  -0.10787 0.00433  63  SER A CB  
393  O OG  . SER A 56  ? 0.36609 0.30550 0.40457 0.02489  -0.09112 0.01031  63  SER A OG  
394  N N   . LEU A 57  ? 0.35145 0.24286 0.33880 0.03623  -0.07862 0.00428  64  LEU A N   
395  C CA  . LEU A 57  ? 0.40233 0.28041 0.38676 0.04861  -0.07855 0.00936  64  LEU A CA  
396  C C   . LEU A 57  ? 0.50018 0.36056 0.46727 0.04684  -0.08746 0.01490  64  LEU A C   
397  O O   . LEU A 57  ? 0.52248 0.37562 0.48959 0.05934  -0.09174 0.02146  64  LEU A O   
398  C CB  . LEU A 57  ? 0.37815 0.22459 0.33956 0.05213  -0.07328 0.00364  64  LEU A CB  
399  C CG  . LEU A 57  ? 0.43027 0.28550 0.39725 0.06245  -0.06292 -0.00175 64  LEU A CG  
400  C CD1 . LEU A 57  ? 0.46622 0.26386 0.38723 0.06797  -0.06777 -0.00891 64  LEU A CD1 
401  C CD2 . LEU A 57  ? 0.44286 0.33330 0.43604 0.08736  -0.05389 0.01063  64  LEU A CD2 
402  N N   . THR A 58  ? 0.38763 0.24371 0.33753 0.03715  -0.08727 0.01641  65  THR A N   
403  C CA  . THR A 58  ? 0.47159 0.31375 0.40145 0.03884  -0.09280 0.02566  65  THR A CA  
404  C C   . THR A 58  ? 0.55666 0.39401 0.46319 0.04546  -0.10093 0.02509  65  THR A C   
405  O O   . THR A 58  ? 0.60331 0.42464 0.48583 0.05163  -0.10717 0.03213  65  THR A O   
406  C CB  . THR A 58  ? 0.60802 0.44845 0.52922 0.02846  -0.08620 0.04054  65  THR A CB  
407  O OG1 . THR A 58  ? 0.56959 0.43552 0.49232 0.02720  -0.07334 0.04581  65  THR A OG1 
408  C CG2 . THR A 58  ? 0.49857 0.31348 0.42212 0.01781  -0.09416 0.04173  65  THR A CG2 
409  N N   . ASP A 59  ? 0.56757 0.34485 0.38997 0.09127  -0.07310 0.07493  66  ASP A N   
410  C CA  . ASP A 59  ? 0.51645 0.36399 0.37457 0.09640  -0.07880 0.07333  66  ASP A CA  
411  C C   . ASP A 59  ? 0.44657 0.33136 0.33587 0.10383  -0.08041 0.05927  66  ASP A C   
412  O O   . ASP A 59  ? 0.45853 0.35908 0.36194 0.08793  -0.08241 0.04665  66  ASP A O   
413  C CB  . ASP A 59  ? 0.46731 0.33873 0.33150 0.07444  -0.08199 0.07706  66  ASP A CB  
414  C CG  . ASP A 59  ? 0.53848 0.45588 0.41165 0.08589  -0.08569 0.07462  66  ASP A CG  
415  O OD1 . ASP A 59  ? 0.54971 0.48130 0.42665 0.10188  -0.09320 0.07052  66  ASP A OD1 
416  O OD2 . ASP A 59  ? 0.55864 0.49505 0.43004 0.07970  -0.08163 0.08012  66  ASP A OD2 
417  N N   . PRO A 60  ? 0.55754 0.46235 0.46202 0.12742  -0.07996 0.06647  67  PRO A N   
418  C CA  . PRO A 60  ? 0.45213 0.39809 0.39295 0.12990  -0.08332 0.06114  67  PRO A CA  
419  C C   . PRO A 60  ? 0.43533 0.41926 0.39197 0.11037  -0.10121 0.04964  67  PRO A C   
420  O O   . PRO A 60  ? 0.43034 0.43389 0.40923 0.10152  -0.10486 0.04081  67  PRO A O   
421  C CB  . PRO A 60  ? 0.48646 0.46143 0.44762 0.15872  -0.08144 0.08458  67  PRO A CB  
422  C CG  . PRO A 60  ? 0.66544 0.59206 0.58889 0.17775  -0.06913 0.09682  67  PRO A CG  
423  C CD  . PRO A 60  ? 0.56137 0.45407 0.45353 0.15346  -0.07478 0.08604  67  PRO A CD  
424  N N   . SER A 61  ? 0.44142 0.42689 0.37747 0.10579  -0.11100 0.05022  68  SER A N   
425  C CA  . SER A 61  ? 0.46202 0.46057 0.38902 0.09347  -0.12606 0.03850  68  SER A CA  
426  C C   . SER A 61  ? 0.44471 0.43227 0.36893 0.08110  -0.11620 0.02324  68  SER A C   
427  O O   . SER A 61  ? 0.40260 0.39084 0.31465 0.07446  -0.12525 0.01207  68  SER A O   
428  C CB  . SER A 61  ? 0.48661 0.47548 0.37495 0.09899  -0.13277 0.04356  68  SER A CB  
429  O OG  . SER A 61  ? 0.51276 0.48374 0.38385 0.10044  -0.11402 0.04743  68  SER A OG  
430  N N   . LYS A 62  ? 0.35370 0.32527 0.28229 0.07681  -0.10024 0.02476  69  LYS A N   
431  C CA  . LYS A 62  ? 0.38025 0.35090 0.31419 0.06381  -0.09306 0.01598  69  LYS A CA  
432  C C   . LYS A 62  ? 0.37768 0.36014 0.33288 0.05925  -0.09794 0.00255  69  LYS A C   
433  O O   . LYS A 62  ? 0.32820 0.31327 0.28483 0.05118  -0.09489 -0.00605 69  LYS A O   
434  C CB  . LYS A 62  ? 0.44946 0.39675 0.38137 0.05261  -0.08405 0.02401  69  LYS A CB  
435  C CG  . LYS A 62  ? 0.48059 0.41829 0.39572 0.04931  -0.08143 0.04345  69  LYS A CG  
436  C CD  . LYS A 62  ? 0.48781 0.44706 0.40961 0.03626  -0.07575 0.05678  69  LYS A CD  
437  C CE  . LYS A 62  ? 0.53137 0.49545 0.44476 0.03339  -0.07221 0.08456  69  LYS A CE  
438  N NZ  . LYS A 62  ? 0.51126 0.51401 0.44294 0.02415  -0.06350 0.10747  69  LYS A NZ  
439  N N   . LEU A 63  ? 0.34627 0.34107 0.32119 0.06603  -0.10385 0.00592  70  LEU A N   
440  C CA  . LEU A 63  ? 0.35021 0.36493 0.35244 0.06070  -0.10848 0.00090  70  LEU A CA  
441  C C   . LEU A 63  ? 0.28407 0.32037 0.29077 0.05237  -0.13267 0.00241  70  LEU A C   
442  O O   . LEU A 63  ? 0.37112 0.43076 0.40649 0.04368  -0.14185 0.00585  70  LEU A O   
443  C CB  . LEU A 63  ? 0.33172 0.35220 0.35568 0.07562  -0.09652 0.01258  70  LEU A CB  
444  C CG  . LEU A 63  ? 0.34211 0.31761 0.34161 0.07973  -0.07757 0.00814  70  LEU A CG  
445  C CD1 . LEU A 63  ? 0.37934 0.34612 0.38144 0.10556  -0.06117 0.02095  70  LEU A CD1 
446  C CD2 . LEU A 63  ? 0.32772 0.29628 0.32638 0.06122  -0.07632 -0.00661 70  LEU A CD2 
447  N N   . ASP A 64  ? 0.34986 0.37398 0.32302 0.05238  -0.14560 0.00224  71  ASP A N   
448  C CA  . ASP A 64  ? 0.39379 0.41749 0.35020 0.03808  -0.17572 0.00173  71  ASP A CA  
449  C C   . ASP A 64  ? 0.40952 0.40973 0.34814 0.02372  -0.18070 -0.01504 71  ASP A C   
450  O O   . ASP A 64  ? 0.42405 0.42265 0.36042 0.00343  -0.19558 -0.01262 71  ASP A O   
451  C CB  . ASP A 64  ? 0.51607 0.51257 0.41817 0.04364  -0.18733 0.00168  71  ASP A CB  
452  C CG  . ASP A 64  ? 0.58243 0.60338 0.50076 0.05584  -0.18913 0.02179  71  ASP A CG  
453  O OD1 . ASP A 64  ? 0.50476 0.56306 0.47399 0.06164  -0.18375 0.03811  71  ASP A OD1 
454  O OD2 . ASP A 64  ? 0.57806 0.57861 0.45414 0.06358  -0.19251 0.02366  71  ASP A OD2 
455  N N   . SER A 65  ? 0.36454 0.34803 0.29404 0.03126  -0.15596 -0.02701 72  SER A N   
456  C CA  . SER A 65  ? 0.35474 0.31605 0.26829 0.02407  -0.15404 -0.04057 72  SER A CA  
457  C C   . SER A 65  ? 0.43357 0.42266 0.39836 0.01206  -0.15284 -0.03918 72  SER A C   
458  O O   . SER A 65  ? 0.45802 0.43180 0.41574 0.00643  -0.14879 -0.04902 72  SER A O   
459  C CB  . SER A 65  ? 0.39151 0.33913 0.28445 0.04005  -0.12613 -0.04412 72  SER A CB  
460  O OG  . SER A 65  ? 0.34604 0.32003 0.27368 0.04377  -0.10949 -0.03383 72  SER A OG  
461  N N   . GLY A 66  ? 0.35595 0.38378 0.36829 0.01331  -0.15215 -0.02448 73  GLY A N   
462  C CA  . GLY A 66  ? 0.38403 0.43998 0.44157 0.00872  -0.14636 -0.01792 73  GLY A CA  
463  C C   . GLY A 66  ? 0.31424 0.38789 0.39768 0.02835  -0.12418 -0.00626 73  GLY A C   
464  O O   . GLY A 66  ? 0.30316 0.35042 0.36550 0.03729  -0.10650 -0.01454 73  GLY A O   
465  N N   . LYS A 67  ? 0.26775 0.38201 0.39163 0.03583  -0.12505 0.01703  74  LYS A N   
466  C CA  . LYS A 67  ? 0.23314 0.34822 0.36401 0.06425  -0.09902 0.02966  74  LYS A CA  
467  C C   . LYS A 67  ? 0.26613 0.36890 0.39922 0.07358  -0.07567 0.02584  74  LYS A C   
468  O O   . LYS A 67  ? 0.32261 0.39133 0.42942 0.09660  -0.05294 0.02690  74  LYS A O   
469  C CB  . LYS A 67  ? 0.24946 0.41828 0.42123 0.08006  -0.10260 0.06522  74  LYS A CB  
470  C CG  . LYS A 67  ? 0.34091 0.50848 0.49796 0.08671  -0.11334 0.07294  74  LYS A CG  
471  C CD  . LYS A 67  ? 0.56490 0.79164 0.76244 0.08661  -0.12613 0.10564  74  LYS A CD  
472  C CE  . LYS A 67  ? 0.56896 0.79196 0.74425 0.06427  -0.15711 0.10059  74  LYS A CE  
473  N NZ  . LYS A 67  ? 0.78940 0.97809 0.92884 0.08151  -0.15434 0.09370  74  LYS A NZ  
474  N N   . GLU A 68  ? 0.20957 0.32907 0.36327 0.05664  -0.08164 0.02183  75  GLU A N   
475  C CA  . GLU A 68  ? 0.23180 0.34311 0.38747 0.06651  -0.05991 0.02097  75  GLU A CA  
476  C C   . GLU A 68  ? 0.23697 0.29122 0.34536 0.06006  -0.05209 -0.00565 75  GLU A C   
477  O O   . GLU A 68  ? 0.26607 0.31043 0.36328 0.03978  -0.06528 -0.02141 75  GLU A O   
478  C CB  . GLU A 68  ? 0.27153 0.42100 0.46649 0.04747  -0.07101 0.02849  75  GLU A CB  
479  C CG  . GLU A 68  ? 0.33546 0.55406 0.58872 0.04525  -0.08366 0.06586  75  GLU A CG  
480  C CD  . GLU A 68  ? 0.77673 1.00997 1.04524 0.01668  -0.09421 0.06844  75  GLU A CD  
481  O OE1 . GLU A 68  ? 0.87726 1.14685 1.17673 0.02367  -0.08015 0.09490  75  GLU A OE1 
482  O OE2 . GLU A 68  ? 0.65789 0.85710 0.89832 -0.00982 -0.11272 0.04544  75  GLU A OE2 
483  N N   . LEU A 69  ? 0.23142 0.24672 0.30813 0.07808  -0.03117 -0.00636 76  LEU A N   
484  C CA  . LEU A 69  ? 0.23645 0.19623 0.26574 0.06612  -0.02948 -0.02460 76  LEU A CA  
485  C C   . LEU A 69  ? 0.24126 0.19264 0.26581 0.06932  -0.01724 -0.02667 76  LEU A C   
486  O O   . LEU A 69  ? 0.28623 0.21144 0.28588 0.09614  0.00336  -0.01785 76  LEU A O   
487  C CB  . LEU A 69  ? 0.30161 0.19969 0.27572 0.07877  -0.02254 -0.02380 76  LEU A CB  
488  C CG  . LEU A 69  ? 0.31663 0.22212 0.29400 0.07670  -0.03322 -0.01953 76  LEU A CG  
489  C CD1 . LEU A 69  ? 0.44120 0.27178 0.35497 0.08553  -0.02761 -0.01818 76  LEU A CD1 
490  C CD2 . LEU A 69  ? 0.32595 0.25529 0.31943 0.04871  -0.05124 -0.02808 76  LEU A CD2 
491  N N   . HIS A 70  ? 0.21080 0.18150 0.25419 0.04714  -0.02693 -0.03602 77  HIS A N   
492  C CA  . HIS A 70  ? 0.22330 0.19400 0.26858 0.04959  -0.01624 -0.03591 77  HIS A CA  
493  C C   . HIS A 70  ? 0.23968 0.20816 0.28250 0.02490  -0.02698 -0.04821 77  HIS A C   
494  O O   . HIS A 70  ? 0.21474 0.18973 0.26023 0.00942  -0.03989 -0.05324 77  HIS A O   
495  C CB  . HIS A 70  ? 0.20481 0.23225 0.30446 0.05824  -0.01131 -0.01838 77  HIS A CB  
496  C CG  . HIS A 70  ? 0.21807 0.28335 0.35574 0.03449  -0.03374 -0.01969 77  HIS A CG  
497  N ND1 . HIS A 70  ? 0.27900 0.38262 0.45047 0.03281  -0.04632 -0.00367 77  HIS A ND1 
498  C CD2 . HIS A 70  ? 0.24775 0.30811 0.38330 0.01318  -0.04665 -0.03344 77  HIS A CD2 
499  C CE1 . HIS A 70  ? 0.25944 0.36844 0.43802 0.00813  -0.06914 -0.01077 77  HIS A CE1 
500  N NE2 . HIS A 70  ? 0.24260 0.32311 0.39756 -0.00022 -0.06658 -0.02919 77  HIS A NE2 
501  N N   . ILE A 71  ? 0.21574 0.17702 0.25217 0.02626  -0.01812 -0.04866 78  ILE A N   
502  C CA  . ILE A 71  ? 0.17610 0.13996 0.21280 0.00767  -0.02497 -0.05498 78  ILE A CA  
503  C C   . ILE A 71  ? 0.19211 0.18533 0.26127 0.01128  -0.01715 -0.05017 78  ILE A C   
504  O O   . ILE A 71  ? 0.21538 0.20623 0.28204 0.02876  -0.00117 -0.04137 78  ILE A O   
505  C CB  . ILE A 71  ? 0.23246 0.14599 0.21530 0.00020  -0.02679 -0.05801 78  ILE A CB  
506  C CG1 . ILE A 71  ? 0.28001 0.15649 0.22598 -0.00955 -0.03873 -0.05805 78  ILE A CG1 
507  C CG2 . ILE A 71  ? 0.23792 0.16855 0.23104 -0.01810 -0.03432 -0.05752 78  ILE A CG2 
508  C CD1 . ILE A 71  ? 0.35095 0.15919 0.22745 -0.02503 -0.04934 -0.05845 78  ILE A CD1 
509  N N   . ASN A 72  ? 0.15781 0.17381 0.25181 -0.00220 -0.02623 -0.05279 79  ASN A N   
510  C CA  . ASN A 72  ? 0.13626 0.17160 0.25605 -0.00484 -0.02286 -0.04732 79  ASN A CA  
511  C C   . ASN A 72  ? 0.19032 0.21568 0.29686 -0.01244 -0.02208 -0.05217 79  ASN A C   
512  O O   . ASN A 72  ? 0.18157 0.20257 0.27685 -0.01839 -0.02858 -0.05599 79  ASN A O   
513  C CB  . ASN A 72  ? 0.14355 0.19758 0.29039 -0.01552 -0.03723 -0.04402 79  ASN A CB  
514  C CG  . ASN A 72  ? 0.12461 0.20204 0.29457 -0.01128 -0.04164 -0.03126 79  ASN A CG  
515  O OD1 . ASN A 72  ? 0.17178 0.26418 0.35251 0.00573  -0.02643 -0.01747 79  ASN A OD1 
516  N ND2 . ASN A 72  ? 0.18853 0.26701 0.36124 -0.02380 -0.06189 -0.03244 79  ASN A ND2 
517  N N   . LEU A 73  ? 0.15448 0.18279 0.26586 -0.00959 -0.01228 -0.04670 80  LEU A N   
518  C CA  . LEU A 73  ? 0.12956 0.15345 0.23255 -0.01557 -0.01145 -0.04751 80  LEU A CA  
519  C C   . LEU A 73  ? 0.12503 0.16169 0.25458 -0.01979 -0.01115 -0.04236 80  LEU A C   
520  O O   . LEU A 73  ? 0.13632 0.18803 0.28782 -0.01759 -0.00481 -0.03149 80  LEU A O   
521  C CB  . LEU A 73  ? 0.15580 0.16047 0.22918 -0.01059 -0.00268 -0.04519 80  LEU A CB  
522  C CG  . LEU A 73  ? 0.22669 0.19570 0.25490 -0.00992 -0.00671 -0.04951 80  LEU A CG  
523  C CD1 . LEU A 73  ? 0.25205 0.18214 0.23093 -0.00493 -0.00022 -0.04832 80  LEU A CD1 
524  C CD2 . LEU A 73  ? 0.22573 0.19760 0.24926 -0.02746 -0.02424 -0.04986 80  LEU A CD2 
525  N N   . ILE A 74  ? 0.15232 0.18032 0.27646 -0.02434 -0.01711 -0.04591 81  ILE A N   
526  C CA  . ILE A 74  ? 0.17754 0.19512 0.30911 -0.03172 -0.02224 -0.04311 81  ILE A CA  
527  C C   . ILE A 74  ? 0.19223 0.19816 0.31057 -0.02692 -0.01423 -0.04065 81  ILE A C   
528  O O   . ILE A 74  ? 0.19973 0.19012 0.29606 -0.01797 -0.01260 -0.04259 81  ILE A O   
529  C CB  . ILE A 74  ? 0.22613 0.21941 0.34097 -0.03667 -0.03712 -0.05012 81  ILE A CB  
530  C CG1 . ILE A 74  ? 0.20738 0.21898 0.33708 -0.03961 -0.04501 -0.04985 81  ILE A CG1 
531  C CG2 . ILE A 74  ? 0.21703 0.18033 0.32407 -0.05149 -0.04961 -0.04666 81  ILE A CG2 
532  C CD1 . ILE A 74  ? 0.22356 0.21023 0.32684 -0.04423 -0.06026 -0.05409 81  ILE A CD1 
533  N N   . PRO A 75  ? 0.22278 0.23745 0.35393 -0.02884 -0.00654 -0.03221 82  PRO A N   
534  C CA  . PRO A 75  ? 0.21001 0.21252 0.32984 -0.02422 0.00037  -0.02728 82  PRO A CA  
535  C C   . PRO A 75  ? 0.22426 0.19037 0.33353 -0.03194 -0.00698 -0.02640 82  PRO A C   
536  O O   . PRO A 75  ? 0.26405 0.22572 0.38745 -0.04953 -0.01968 -0.02282 82  PRO A O   
537  C CB  . PRO A 75  ? 0.18921 0.21075 0.32136 -0.02362 0.01081  -0.01810 82  PRO A CB  
538  C CG  . PRO A 75  ? 0.22320 0.26118 0.37921 -0.02813 0.01093  -0.01283 82  PRO A CG  
539  C CD  . PRO A 75  ? 0.20099 0.23820 0.35629 -0.03041 -0.00025 -0.02232 82  PRO A CD  
540  N N   . ASN A 76  ? 0.24320 0.17962 0.32280 -0.01899 -0.00042 -0.02574 83  ASN A N   
541  C CA  . ASN A 76  ? 0.26210 0.13837 0.30821 -0.02355 -0.00685 -0.02593 83  ASN A CA  
542  C C   . ASN A 76  ? 0.30316 0.16792 0.33529 -0.00666 0.00966  -0.01596 83  ASN A C   
543  O O   . ASN A 76  ? 0.36603 0.22473 0.37421 0.02022  0.02372  -0.01212 83  ASN A O   
544  C CB  . ASN A 76  ? 0.35819 0.18113 0.35387 -0.01492 -0.01415 -0.03726 83  ASN A CB  
545  C CG  . ASN A 76  ? 0.49695 0.23103 0.43501 -0.02489 -0.02783 -0.04032 83  ASN A CG  
546  O OD1 . ASN A 76  ? 0.53290 0.23373 0.45183 -0.02087 -0.02080 -0.03325 83  ASN A OD1 
547  N ND2 . ASN A 76  ? 0.58182 0.27610 0.48813 -0.04006 -0.04925 -0.04914 83  ASN A ND2 
548  N N   . LYS A 77  ? 0.33667 0.18501 0.37820 -0.03414 -0.02485 0.06541  84  LYS A N   
549  C CA  . LYS A 77  ? 0.35858 0.18852 0.38591 -0.01632 -0.01397 0.07258  84  LYS A CA  
550  C C   . LYS A 77  ? 0.45660 0.21683 0.45109 -0.01938 -0.01629 0.06819  84  LYS A C   
551  O O   . LYS A 77  ? 0.49558 0.23781 0.47364 0.00379  -0.00478 0.07143  84  LYS A O   
552  C CB  . LYS A 77  ? 0.43510 0.28936 0.48400 -0.01840 -0.00580 0.09946  84  LYS A CB  
553  C CG  . LYS A 77  ? 0.39860 0.30645 0.46084 -0.00348 0.00491  0.10447  84  LYS A CG  
554  C CD  . LYS A 77  ? 0.47913 0.40602 0.55553 -0.00026 0.01789  0.13377  84  LYS A CD  
555  C CE  . LYS A 77  ? 0.43438 0.40146 0.51181 0.01656  0.03270  0.13973  84  LYS A CE  
556  N NZ  . LYS A 77  ? 0.48194 0.47589 0.58713 0.00617  0.03233  0.14533  84  LYS A NZ  
557  N N   . GLN A 78  ? 0.53993 0.25617 0.51891 -0.04695 -0.03079 0.06280  85  GLN A N   
558  C CA  . GLN A 78  ? 0.62663 0.25530 0.55564 -0.04933 -0.03125 0.05585  85  GLN A CA  
559  C C   . GLN A 78  ? 0.65181 0.25791 0.54787 -0.01933 -0.02018 0.03478  85  GLN A C   
560  O O   . GLN A 78  ? 0.69368 0.26911 0.56615 0.00509  -0.00457 0.03493  85  GLN A O   
561  C CB  . GLN A 78  ? 0.61445 0.22554 0.53552 -0.08636 -0.04803 0.05161  85  GLN A CB  
562  C CG  . GLN A 78  ? 0.86158 0.44817 0.78292 -0.10606 -0.04967 0.06891  85  GLN A CG  
563  C CD  . GLN A 78  ? 1.01564 0.65939 0.98867 -0.11601 -0.04927 0.09922  85  GLN A CD  
564  O OE1 . GLN A 78  ? 0.96580 0.67313 0.97940 -0.12222 -0.05531 0.10852  85  GLN A OE1 
565  N NE2 . GLN A 78  ? 1.03946 0.66422 1.01266 -0.11416 -0.03906 0.11731  85  GLN A NE2 
566  N N   . ASP A 79  ? 0.55400 0.19170 0.45778 -0.01910 -0.02597 0.02004  86  ASP A N   
567  C CA  . ASP A 79  ? 0.55077 0.18110 0.43259 0.00866  -0.01488 0.00503  86  ASP A CA  
568  C C   . ASP A 79  ? 0.48717 0.18528 0.40224 0.03762  -0.00239 0.01270  86  ASP A C   
569  O O   . ASP A 79  ? 0.51051 0.21159 0.41586 0.06340  0.00914  0.00958  86  ASP A O   
570  C CB  . ASP A 79  ? 0.60066 0.24696 0.48181 -0.00631 -0.02689 -0.01144 86  ASP A CB  
571  C CG  . ASP A 79  ? 0.74743 0.36400 0.60522 -0.03575 -0.04046 -0.01775 86  ASP A CG  
572  O OD1 . ASP A 79  ? 0.73902 0.31186 0.57317 -0.04368 -0.04019 -0.01355 86  ASP A OD1 
573  O OD2 . ASP A 79  ? 0.71009 0.34762 0.57139 -0.05050 -0.05253 -0.02542 86  ASP A OD2 
574  N N   . ARG A 80  ? 0.41470 0.16537 0.36504 0.03278  -0.00491 0.02509  87  ARG A N   
575  C CA  . ARG A 80  ? 0.34587 0.15827 0.31976 0.05011  -0.00059 0.03101  87  ARG A CA  
576  C C   . ARG A 80  ? 0.36143 0.20691 0.34363 0.05049  -0.00521 0.01712  87  ARG A C   
577  O O   . ARG A 80  ? 0.33382 0.20576 0.32074 0.06777  -0.00104 0.02003  87  ARG A O   
578  C CB  . ARG A 80  ? 0.40211 0.21299 0.36967 0.07842  0.01192  0.04589  87  ARG A CB  
579  C CG  . ARG A 80  ? 0.37253 0.24112 0.36036 0.08497  0.00963  0.05942  87  ARG A CG  
580  C CD  . ARG A 80  ? 0.55953 0.45635 0.55274 0.11085  0.01559  0.07503  87  ARG A CD  
581  N NE  . ARG A 80  ? 0.60622 0.47297 0.58885 0.13171  0.02930  0.09439  87  ARG A NE  
582  C CZ  . ARG A 80  ? 0.70902 0.57948 0.69171 0.16221  0.04268  0.11211  87  ARG A CZ  
583  N NH1 . ARG A 80  ? 0.52062 0.43369 0.51951 0.17307  0.04279  0.11552  87  ARG A NH1 
584  N NH2 . ARG A 80  ? 0.67243 0.51416 0.64214 0.17434  0.05553  0.12442  87  ARG A NH2 
585  N N   . THR A 81  ? 0.32067 0.16888 0.30818 0.03047  -0.01431 0.00633  88  THR A N   
586  C CA  . THR A 81  ? 0.29773 0.17255 0.29190 0.02927  -0.01813 -0.00576 88  THR A CA  
587  C C   . THR A 81  ? 0.29586 0.20277 0.30791 0.01645  -0.02289 -0.00557 88  THR A C   
588  O O   . THR A 81  ? 0.27102 0.17678 0.29239 0.00486  -0.02426 0.00307  88  THR A O   
589  C CB  . THR A 81  ? 0.33801 0.17857 0.31259 0.02351  -0.02133 -0.01883 88  THR A CB  
590  O OG1 . THR A 81  ? 0.34330 0.15841 0.31321 -0.00054 -0.03214 -0.01871 88  THR A OG1 
591  C CG2 . THR A 81  ? 0.34736 0.14620 0.29230 0.04458  -0.00957 -0.01899 88  THR A CG2 
592  N N   . LEU A 82  ? 0.23220 0.16607 0.24775 0.01961  -0.02370 -0.01201 89  LEU A N   
593  C CA  . LEU A 82  ? 0.22452 0.17531 0.24598 0.01233  -0.02411 -0.01447 89  LEU A CA  
594  C C   . LEU A 82  ? 0.25977 0.21194 0.28173 0.00847  -0.02789 -0.02611 89  LEU A C   
595  O O   . LEU A 82  ? 0.23458 0.19274 0.25259 0.01375  -0.02890 -0.03125 89  LEU A O   
596  C CB  . LEU A 82  ? 0.24490 0.21017 0.25504 0.01743  -0.02189 -0.01271 89  LEU A CB  
597  C CG  . LEU A 82  ? 0.20271 0.16932 0.20360 0.01555  -0.01729 -0.01669 89  LEU A CG  
598  C CD1 . LEU A 82  ? 0.25894 0.22815 0.27380 0.01667  -0.00782 -0.00396 89  LEU A CD1 
599  C CD2 . LEU A 82  ? 0.26451 0.22639 0.23463 0.01796  -0.01746 -0.01774 89  LEU A CD2 
600  N N   . THR A 83  ? 0.20864 0.16059 0.23874 -0.00062 -0.03010 -0.02579 90  THR A N   
601  C CA  . THR A 83  ? 0.22016 0.17247 0.24887 -0.00407 -0.03397 -0.03480 90  THR A CA  
602  C C   . THR A 83  ? 0.22054 0.18978 0.25596 -0.00320 -0.02906 -0.03258 90  THR A C   
603  O O   . THR A 83  ? 0.22801 0.20728 0.27425 -0.00265 -0.02353 -0.02012 90  THR A O   
604  C CB  . THR A 83  ? 0.23989 0.17407 0.26541 -0.01645 -0.04337 -0.03450 90  THR A CB  
605  O OG1 . THR A 83  ? 0.29370 0.19336 0.29823 -0.01454 -0.04452 -0.03826 90  THR A OG1 
606  C CG2 . THR A 83  ? 0.29267 0.22848 0.31270 -0.01899 -0.04745 -0.04222 90  THR A CG2 
607  N N   . ILE A 84  ? 0.19877 0.16940 0.22655 -0.00090 -0.02830 -0.04139 91  ILE A N   
608  C CA  . ILE A 84  ? 0.20060 0.17329 0.22497 0.00168  -0.02158 -0.04067 91  ILE A CA  
609  C C   . ILE A 84  ? 0.23202 0.20953 0.26405 -0.00173 -0.02534 -0.04216 91  ILE A C   
610  O O   . ILE A 84  ? 0.23169 0.20638 0.25812 -0.00336 -0.02935 -0.05033 91  ILE A O   
611  C CB  . ILE A 84  ? 0.23703 0.19890 0.23937 0.00172  -0.02036 -0.04815 91  ILE A CB  
612  C CG1 . ILE A 84  ? 0.32065 0.27633 0.30770 0.00390  -0.01922 -0.04545 91  ILE A CG1 
613  C CG2 . ILE A 84  ? 0.25285 0.19887 0.23956 0.00522  -0.01109 -0.04881 91  ILE A CG2 
614  C CD1 . ILE A 84  ? 0.37338 0.33993 0.36333 0.00037  -0.02910 -0.04534 91  ILE A CD1 
615  N N   . VAL A 85  ? 0.17652 0.16626 0.22315 -0.00174 -0.02361 -0.03006 92  VAL A N   
616  C CA  . VAL A 85  ? 0.18731 0.18551 0.24056 -0.00652 -0.03028 -0.02759 92  VAL A CA  
617  C C   . VAL A 85  ? 0.22981 0.23181 0.28370 0.00431  -0.01786 -0.02110 92  VAL A C   
618  O O   . VAL A 85  ? 0.20734 0.21355 0.26599 0.01551  -0.00438 -0.00827 92  VAL A O   
619  C CB  . VAL A 85  ? 0.20038 0.21546 0.27215 -0.01878 -0.04242 -0.01224 92  VAL A CB  
620  C CG1 . VAL A 85  ? 0.25492 0.27545 0.32409 -0.02720 -0.05449 -0.01070 92  VAL A CG1 
621  C CG2 . VAL A 85  ? 0.25325 0.25191 0.31804 -0.02983 -0.05214 -0.01633 92  VAL A CG2 
622  N N   . ASP A 86  ? 0.19443 0.19152 0.24054 0.00395  -0.01925 -0.02735 93  ASP A N   
623  C CA  . ASP A 86  ? 0.20043 0.19741 0.24666 0.01492  -0.00705 -0.01759 93  ASP A CA  
624  C C   . ASP A 86  ? 0.21009 0.22347 0.26508 0.01097  -0.01582 -0.01138 93  ASP A C   
625  O O   . ASP A 86  ? 0.21325 0.22575 0.26141 0.00029  -0.02937 -0.02064 93  ASP A O   
626  C CB  . ASP A 86  ? 0.22293 0.18670 0.24164 0.01838  0.00298  -0.02934 93  ASP A CB  
627  C CG  . ASP A 86  ? 0.27044 0.23078 0.28325 0.00748  -0.00616 -0.04112 93  ASP A CG  
628  O OD1 . ASP A 86  ? 0.24256 0.21068 0.26013 0.00810  -0.00720 -0.03721 93  ASP A OD1 
629  O OD2 . ASP A 86  ? 0.26975 0.22359 0.27451 -0.00056 -0.01134 -0.05045 93  ASP A OD2 
630  N N   . THR A 87  ? 0.16733 0.19337 0.23307 0.02233  -0.00640 0.00671  94  THR A N   
631  C CA  . THR A 87  ? 0.15787 0.20167 0.23000 0.01987  -0.01470 0.01616  94  THR A CA  
632  C C   . THR A 87  ? 0.20094 0.22195 0.25614 0.02988  -0.00132 0.01215  94  THR A C   
633  O O   . THR A 87  ? 0.19704 0.23020 0.25951 0.03955  0.00408  0.02924  94  THR A O   
634  C CB  . THR A 87  ? 0.17357 0.25988 0.27773 0.02395  -0.01704 0.04775  94  THR A CB  
635  O OG1 . THR A 87  ? 0.16465 0.25268 0.27895 0.04820  0.00882  0.06603  94  THR A OG1 
636  C CG2 . THR A 87  ? 0.17730 0.28617 0.29762 0.00343  -0.03833 0.05343  94  THR A CG2 
637  N N   . GLY A 88  ? 0.21173 0.20116 0.24564 0.02592  0.00302  -0.00704 95  GLY A N   
638  C CA  . GLY A 88  ? 0.25366 0.21743 0.27050 0.02840  0.01265  -0.00985 95  GLY A CA  
639  C C   . GLY A 88  ? 0.25113 0.22766 0.26902 0.02200  0.00418  -0.01099 95  GLY A C   
640  O O   . GLY A 88  ? 0.22709 0.22732 0.25162 0.01914  -0.00787 -0.00754 95  GLY A O   
641  N N   . ILE A 89  ? 0.20765 0.16385 0.21344 0.01788  0.01005  -0.01486 96  ILE A N   
642  C CA  . ILE A 89  ? 0.21032 0.17827 0.21605 0.01682  0.00820  -0.01035 96  ILE A CA  
643  C C   . ILE A 89  ? 0.24675 0.23102 0.25187 0.01143  -0.00129 -0.01905 96  ILE A C   
644  O O   . ILE A 89  ? 0.25211 0.24552 0.24922 0.01505  -0.00257 -0.01518 96  ILE A O   
645  C CB  . ILE A 89  ? 0.26454 0.20707 0.26078 0.01193  0.01807  -0.00693 96  ILE A CB  
646  C CG1 . ILE A 89  ? 0.26341 0.21892 0.26064 0.01576  0.02109  0.00429  96  ILE A CG1 
647  C CG2 . ILE A 89  ? 0.26451 0.19876 0.25923 -0.00540 0.01303  -0.01621 96  ILE A CG2 
648  C CD1 . ILE A 89  ? 0.33697 0.26360 0.32570 0.01076  0.03178  0.01275  96  ILE A CD1 
649  N N   . GLY A 90  ? 0.22411 0.20802 0.23176 0.00608  -0.00588 -0.02937 97  GLY A N   
650  C CA  . GLY A 90  ? 0.23358 0.22566 0.23610 0.00715  -0.00931 -0.03502 97  GLY A CA  
651  C C   . GLY A 90  ? 0.21168 0.21300 0.21911 0.00703  -0.00133 -0.02892 97  GLY A C   
652  O O   . GLY A 90  ? 0.23580 0.23611 0.25172 -0.00080 0.00266  -0.02137 97  GLY A O   
653  N N   . MET A 91  ? 0.20363 0.21204 0.20465 0.01575  0.00206  -0.02946 98  MET A N   
654  C CA  . MET A 91  ? 0.21834 0.24719 0.23054 0.02051  0.01329  -0.01585 98  MET A CA  
655  C C   . MET A 91  ? 0.22391 0.24783 0.20960 0.04055  0.02489  -0.01307 98  MET A C   
656  O O   . MET A 91  ? 0.26209 0.26134 0.21647 0.04958  0.02273  -0.02479 98  MET A O   
657  C CB  . MET A 91  ? 0.25871 0.31026 0.29522 0.01655  0.01321  -0.00856 98  MET A CB  
658  C CG  . MET A 91  ? 0.23619 0.28503 0.28570 -0.00409 0.00016  -0.01258 98  MET A CG  
659  S SD  . MET A 91  ? 0.21534 0.29015 0.28485 -0.00702 -0.00524 -0.00527 98  MET A SD  
660  C CE  . MET A 91  ? 0.24018 0.28633 0.28759 0.00400  -0.00814 -0.02534 98  MET A CE  
661  N N   . THR A 92  ? 0.21387 0.25566 0.20648 0.04678  0.03794  0.00366  99  THR A N   
662  C CA  . THR A 92  ? 0.25583 0.29251 0.21887 0.07114  0.05562  0.01061  99  THR A CA  
663  C C   . THR A 92  ? 0.29949 0.34983 0.26929 0.08943  0.07049  0.02016  99  THR A C   
664  O O   . THR A 92  ? 0.26214 0.33783 0.26884 0.07973  0.06482  0.02587  99  THR A O   
665  C CB  . THR A 92  ? 0.27548 0.33441 0.25043 0.07415  0.06873  0.03172  99  THR A CB  
666  O OG1 . THR A 92  ? 0.26454 0.36621 0.29107 0.06291  0.07244  0.05365  99  THR A OG1 
667  C CG2 . THR A 92  ? 0.28051 0.32660 0.25059 0.05992  0.05736  0.02718  99  THR A CG2 
668  N N   . LYS A 93  ? 0.31448 0.25554 0.22521 0.07426  -0.04807 -0.01938 100 LYS A N   
669  C CA  . LYS A 93  ? 0.28777 0.26757 0.21097 0.06822  -0.02003 -0.02270 100 LYS A CA  
670  C C   . LYS A 93  ? 0.29000 0.27766 0.21067 0.05034  -0.00431 -0.01161 100 LYS A C   
671  O O   . LYS A 93  ? 0.25933 0.27428 0.21669 0.05061  0.00770  -0.01714 100 LYS A O   
672  C CB  . LYS A 93  ? 0.31520 0.30514 0.20942 0.06601  -0.01211 -0.03090 100 LYS A CB  
673  C CG  . LYS A 93  ? 0.28496 0.32147 0.21725 0.06772  0.00810  -0.04943 100 LYS A CG  
674  C CD  . LYS A 93  ? 0.34375 0.40357 0.25390 0.06240  0.02036  -0.06912 100 LYS A CD  
675  C CE  . LYS A 93  ? 0.38370 0.49316 0.35492 0.07160  0.03047  -0.10056 100 LYS A CE  
676  N NZ  . LYS A 93  ? 0.37549 0.52707 0.33589 0.05942  0.05169  -0.13225 100 LYS A NZ  
677  N N   . ALA A 94  ? 0.34108 0.29832 0.21570 0.03208  -0.00952 0.00498  101 ALA A N   
678  C CA  . ALA A 94  ? 0.39333 0.35745 0.26515 0.01098  0.00593  0.01514  101 ALA A CA  
679  C C   . ALA A 94  ? 0.34011 0.30726 0.25820 0.02107  -0.00025 0.01565  101 ALA A C   
680  O O   . ALA A 94  ? 0.33730 0.33013 0.28149 0.01451  0.01606  0.01367  101 ALA A O   
681  C CB  . ALA A 94  ? 0.43763 0.35427 0.24032 -0.01778 -0.00586 0.03788  101 ALA A CB  
682  N N   . ASP A 95  ? 0.30174 0.24701 0.23441 0.03580  -0.02455 0.01209  102 ASP A N   
683  C CA  . ASP A 95  ? 0.26932 0.22759 0.24501 0.04076  -0.02637 0.00357  102 ASP A CA  
684  C C   . ASP A 95  ? 0.24545 0.23989 0.24871 0.04200  -0.00866 -0.00540 102 ASP A C   
685  O O   . ASP A 95  ? 0.23856 0.24516 0.25900 0.03457  -0.00190 -0.00400 102 ASP A O   
686  C CB  . ASP A 95  ? 0.30059 0.24672 0.30011 0.05518  -0.05149 -0.01528 102 ASP A CB  
687  C CG  . ASP A 95  ? 0.39397 0.29209 0.38188 0.05680  -0.08679 -0.01022 102 ASP A CG  
688  O OD1 . ASP A 95  ? 0.41981 0.29255 0.38144 0.04123  -0.09023 0.01153  102 ASP A OD1 
689  O OD2 . ASP A 95  ? 0.39871 0.28037 0.40616 0.07306  -0.11674 -0.03026 102 ASP A OD2 
690  N N   . LEU A 96  ? 0.23226 0.23634 0.23736 0.04996  -0.00780 -0.01387 103 LEU A N   
691  C CA  . LEU A 96  ? 0.25003 0.27147 0.27375 0.04720  -0.00343 -0.01836 103 LEU A CA  
692  C C   . LEU A 96  ? 0.22912 0.26141 0.26304 0.04286  0.00337  -0.01390 103 LEU A C   
693  O O   . LEU A 96  ? 0.21726 0.25039 0.26511 0.03569  -0.00147 -0.01185 103 LEU A O   
694  C CB  . LEU A 96  ? 0.24509 0.26876 0.26917 0.05605  -0.00859 -0.02687 103 LEU A CB  
695  C CG  . LEU A 96  ? 0.23260 0.25455 0.26116 0.05718  -0.01525 -0.03904 103 LEU A CG  
696  C CD1 . LEU A 96  ? 0.23575 0.25769 0.26422 0.06684  -0.02113 -0.04552 103 LEU A CD1 
697  C CD2 . LEU A 96  ? 0.20775 0.23855 0.24470 0.03638  -0.01224 -0.04395 103 LEU A CD2 
698  N N   . ILE A 97  ? 0.20655 0.24917 0.23388 0.04388  0.01356  -0.01692 104 ILE A N   
699  C CA  . ILE A 97  ? 0.19513 0.26258 0.24900 0.04004  0.02229  -0.02712 104 ILE A CA  
700  C C   . ILE A 97  ? 0.19366 0.25965 0.25351 0.02814  0.02735  -0.01774 104 ILE A C   
701  O O   . ILE A 97  ? 0.20027 0.27860 0.29457 0.02830  0.02277  -0.02570 104 ILE A O   
702  C CB  . ILE A 97  ? 0.22187 0.31372 0.26520 0.03476  0.04031  -0.04214 104 ILE A CB  
703  C CG1 . ILE A 97  ? 0.21594 0.31275 0.26385 0.05015  0.03187  -0.05658 104 ILE A CG1 
704  C CG2 . ILE A 97  ? 0.21677 0.34975 0.30180 0.02726  0.05451  -0.06610 104 ILE A CG2 
705  C CD1 . ILE A 97  ? 0.26547 0.38564 0.28784 0.04087  0.05097  -0.07332 104 ILE A CD1 
706  N N   . ASN A 98  ? 0.20887 0.25420 0.23964 0.01951  0.02918  -0.00234 105 ASN A N   
707  C CA  . ASN A 98  ? 0.26807 0.30812 0.30494 0.00847  0.03086  0.00655  105 ASN A CA  
708  C C   . ASN A 98  ? 0.24042 0.27218 0.29251 0.01354  0.01730  0.00730  105 ASN A C   
709  O O   . ASN A 98  ? 0.24623 0.26371 0.29405 0.01164  0.01021  0.01050  105 ASN A O   
710  C CB  . ASN A 98  ? 0.28365 0.29559 0.28185 -0.00511 0.02913  0.02190  105 ASN A CB  
711  C CG  . ASN A 98  ? 0.42715 0.45170 0.40313 -0.02999 0.05000  0.02295  105 ASN A CG  
712  O OD1 . ASN A 98  ? 0.57589 0.61766 0.56990 -0.04506 0.06290  0.02065  105 ASN A OD1 
713  N ND2 . ASN A 98  ? 0.66150 0.68235 0.59733 -0.03857 0.05569  0.02220  105 ASN A ND2 
714  N N   . ASN A 99  ? 0.20150 0.24089 0.27002 0.01677  0.01023  0.00091  106 ASN A N   
715  C CA  . ASN A 99  ? 0.21029 0.24158 0.27780 0.00892  -0.00084 0.00178  106 ASN A CA  
716  C C   . ASN A 99  ? 0.23632 0.26579 0.29058 0.00516  0.00017  -0.00461 106 ASN A C   
717  O O   . ASN A 99  ? 0.20727 0.24107 0.26453 -0.00450 0.00035  -0.01138 106 ASN A O   
718  C CB  . ASN A 99  ? 0.21841 0.25098 0.29958 0.00166  -0.00183 0.00471  106 ASN A CB  
719  C CG  . ASN A 99  ? 0.17069 0.21308 0.28092 0.00575  -0.00535 -0.00007 106 ASN A CG  
720  O OD1 . ASN A 99  ? 0.23177 0.26980 0.35385 0.01094  -0.02234 -0.00631 106 ASN A OD1 
721  N ND2 . ASN A 99  ? 0.19918 0.25497 0.32671 0.00216  0.00722  -0.00165 106 ASN A ND2 
722  N N   . LEU A 100 ? 0.20534 0.23433 0.25258 0.01275  0.00018  -0.00979 107 LEU A N   
723  C CA  . LEU A 100 ? 0.22937 0.26522 0.27854 0.01034  -0.00020 -0.02685 107 LEU A CA  
724  C C   . LEU A 100 ? 0.19783 0.23448 0.26490 0.01510  -0.00452 -0.03839 107 LEU A C   
725  O O   . LEU A 100 ? 0.22397 0.27964 0.31022 0.00711  -0.00382 -0.06323 107 LEU A O   
726  C CB  . LEU A 100 ? 0.21161 0.25683 0.24990 -0.01407 0.00212  -0.03514 107 LEU A CB  
727  C CG  . LEU A 100 ? 0.29932 0.32742 0.32096 -0.01636 -0.00759 -0.02077 107 LEU A CG  
728  C CD1 . LEU A 100 ? 0.28591 0.29460 0.29485 -0.03018 -0.02208 -0.00560 107 LEU A CD1 
729  C CD2 . LEU A 100 ? 0.37708 0.40770 0.38705 -0.02968 -0.00743 -0.03054 107 LEU A CD2 
730  N N   . GLY A 101 ? 0.21023 0.22589 0.27132 0.02450  -0.01113 -0.02364 108 GLY A N   
731  C CA  . GLY A 101 ? 0.23278 0.23177 0.30818 0.03010  -0.02885 -0.03092 108 GLY A CA  
732  C C   . GLY A 101 ? 0.25589 0.26255 0.35140 0.02230  -0.02887 -0.03574 108 GLY A C   
733  O O   . GLY A 101 ? 0.27915 0.27806 0.40191 0.02868  -0.04862 -0.05345 108 GLY A O   
734  N N   . THR A 102 ? 0.20567 0.22507 0.29419 0.01064  -0.01338 -0.02429 109 THR A N   
735  C CA  . THR A 102 ? 0.19656 0.22416 0.30138 0.00224  -0.01349 -0.02940 109 THR A CA  
736  C C   . THR A 102 ? 0.23457 0.24611 0.33448 -0.00070 -0.01233 -0.00595 109 THR A C   
737  O O   . THR A 102 ? 0.27596 0.28133 0.35891 -0.00158 -0.00457 0.00971  109 THR A O   
738  C CB  . THR A 102 ? 0.22283 0.27125 0.31857 -0.01435 -0.00325 -0.03593 109 THR A CB  
739  O OG1 . THR A 102 ? 0.22819 0.26661 0.30717 -0.01590 -0.00145 -0.01435 109 THR A OG1 
740  C CG2 . THR A 102 ? 0.26404 0.33261 0.35500 -0.02388 0.00259  -0.05901 109 THR A CG2 
741  N N   . ILE A 103 ? 0.20433 0.21555 0.32279 -0.00520 -0.01788 -0.00938 110 ILE A N   
742  C CA  . ILE A 103 ? 0.21282 0.21788 0.33336 -0.01322 -0.01302 0.00773  110 ILE A CA  
743  C C   . ILE A 103 ? 0.21857 0.24317 0.34708 -0.01808 -0.00696 0.00381  110 ILE A C   
744  O O   . ILE A 103 ? 0.19622 0.22407 0.34057 -0.02303 -0.01175 -0.00037 110 ILE A O   
745  C CB  . ILE A 103 ? 0.27686 0.26038 0.41216 -0.01630 -0.02909 0.00970  110 ILE A CB  
746  C CG1 . ILE A 103 ? 0.24513 0.24109 0.41139 -0.00992 -0.04229 -0.01801 110 ILE A CG1 
747  C CG2 . ILE A 103 ? 0.30622 0.25004 0.41847 -0.01726 -0.04622 0.02303  110 ILE A CG2 
748  C CD1 . ILE A 103 ? 0.34354 0.31885 0.53470 -0.01155 -0.06239 -0.01831 110 ILE A CD1 
749  N N   . ALA A 104 ? 0.28139 0.13924 0.32595 0.01480  0.01594  0.02532  111 ALA A N   
750  C CA  . ALA A 104 ? 0.23987 0.12613 0.29611 0.02135  0.00965  0.02757  111 ALA A CA  
751  C C   . ALA A 104 ? 0.24478 0.15885 0.37435 0.00648  0.02764  0.02768  111 ALA A C   
752  O O   . ALA A 104 ? 0.22310 0.21613 0.36538 -0.00266 0.01931  0.01132  111 ALA A O   
753  C CB  . ALA A 104 ? 0.30539 0.22410 0.35297 0.03674  -0.00148 0.04027  111 ALA A CB  
754  N N   . LYS A 105 ? 0.25577 0.16135 0.38720 -0.00683 0.04243  0.02951  112 LYS A N   
755  C CA  . LYS A 105 ? 0.25593 0.25756 0.41279 -0.03521 0.04974  0.01013  112 LYS A CA  
756  C C   . LYS A 105 ? 0.30437 0.32590 0.47008 -0.08155 0.05989  -0.02839 112 LYS A C   
757  O O   . LYS A 105 ? 0.25709 0.37028 0.44157 -0.09424 0.05014  -0.04585 112 LYS A O   
758  C CB  . LYS A 105 ? 0.26214 0.25016 0.41957 -0.04399 0.06820  0.01882  112 LYS A CB  
759  C CG  . LYS A 105 ? 0.38394 0.49089 0.57570 -0.06370 0.07335  0.00569  112 LYS A CG  
760  C CD  . LYS A 105 ? 0.38875 0.47760 0.58145 -0.08434 0.09986  0.00808  112 LYS A CD  
761  C CE  . LYS A 105 ? 0.59986 0.79433 0.83096 -0.13113 0.11370  -0.01983 112 LYS A CE  
762  N NZ  . LYS A 105 ? 0.67611 0.86668 0.90689 -0.17862 0.11608  -0.05318 112 LYS A NZ  
763  N N   . SER A 106 ? 0.29508 0.22531 0.44119 -0.10618 0.07759  -0.04236 113 SER A N   
764  C CA  . SER A 106 ? 0.32600 0.26580 0.46532 -0.14491 0.08416  -0.07671 113 SER A CA  
765  C C   . SER A 106 ? 0.32513 0.27320 0.46516 -0.13729 0.07315  -0.08978 113 SER A C   
766  O O   . SER A 106 ? 0.33319 0.33030 0.47514 -0.16484 0.07187  -0.11690 113 SER A O   
767  C CB  . SER A 106 ? 0.48400 0.34379 0.57655 -0.14506 0.08972  -0.07532 113 SER A CB  
768  O OG  . SER A 106 ? 0.50295 0.30555 0.56573 -0.10469 0.07315  -0.05466 113 SER A OG  
769  N N   . GLY A 107 ? 0.28906 0.19369 0.41984 -0.09546 0.06231  -0.06753 114 GLY A N   
770  C CA  . GLY A 107 ? 0.33319 0.25603 0.46097 -0.08227 0.05143  -0.07531 114 GLY A CA  
771  C C   . GLY A 107 ? 0.28379 0.31580 0.42599 -0.07840 0.03347  -0.07596 114 GLY A C   
772  O O   . GLY A 107 ? 0.26758 0.33628 0.40606 -0.09368 0.03037  -0.09914 114 GLY A O   
773  N N   . THR A 108 ? 0.19793 0.27912 0.35147 -0.05652 0.02078  -0.05123 115 THR A N   
774  C CA  . THR A 108 ? 0.20159 0.38492 0.36479 -0.04966 0.00118  -0.05191 115 THR A CA  
775  C C   . THR A 108 ? 0.26804 0.52315 0.44823 -0.09243 0.00526  -0.08525 115 THR A C   
776  O O   . THR A 108 ? 0.23355 0.54970 0.41220 -0.09938 -0.00827 -0.10094 115 THR A O   
777  C CB  . THR A 108 ? 0.18463 0.39841 0.35229 -0.01561 -0.01175 -0.02025 115 THR A CB  
778  O OG1 . THR A 108 ? 0.18631 0.33249 0.33216 0.02103  -0.01965 0.01021  115 THR A OG1 
779  C CG2 . THR A 108 ? 0.18810 0.50463 0.36228 -0.00496 -0.03375 -0.02180 115 THR A CG2 
780  N N   . LYS A 109 ? 0.21900 0.46709 0.41263 -0.12373 0.02313  -0.09617 116 LYS A N   
781  C CA  . LYS A 109 ? 0.25649 0.56650 0.46197 -0.16684 0.02655  -0.12534 116 LYS A CA  
782  C C   . LYS A 109 ? 0.34561 0.62547 0.52521 -0.18956 0.02858  -0.15247 116 LYS A C   
783  O O   . LYS A 109 ? 0.30762 0.64342 0.48120 -0.19840 0.01734  -0.16594 116 LYS A O   
784  C CB  . LYS A 109 ? 0.28525 0.56362 0.49314 -0.19418 0.04815  -0.12778 116 LYS A CB  
785  C CG  . LYS A 109 ? 0.35695 0.66394 0.55745 -0.23294 0.05275  -0.15222 116 LYS A CG  
786  C CD  . LYS A 109 ? 0.40465 0.68948 0.60637 -0.25755 0.07231  -0.15152 116 LYS A CD  
787  C CE  . LYS A 109 ? 0.53650 0.85660 0.73302 -0.29787 0.07552  -0.17535 116 LYS A CE  
788  N NZ  . LYS A 109 ? 0.72682 0.99057 0.88773 -0.31681 0.07788  -0.19626 116 LYS A NZ  
789  N N   . ALA A 110 ? 0.31303 0.49595 0.47183 -0.19390 0.04333  -0.15892 117 ALA A N   
790  C CA  . ALA A 110 ? 0.43232 0.57999 0.56089 -0.20814 0.04754  -0.18268 117 ALA A CA  
791  C C   . ALA A 110 ? 0.32922 0.52574 0.45719 -0.19081 0.02976  -0.18650 117 ALA A C   
792  O O   . ALA A 110 ? 0.36137 0.58071 0.47066 -0.20506 0.02629  -0.20551 117 ALA A O   
793  C CB  . ALA A 110 ? 0.39384 0.42442 0.49428 -0.19931 0.06486  -0.18059 117 ALA A CB  
794  N N   . PHE A 111 ? 0.29676 0.49471 0.43048 -0.14800 0.01886  -0.15713 118 PHE A N   
795  C CA  . PHE A 111 ? 0.29130 0.52085 0.41145 -0.12450 0.00325  -0.15230 118 PHE A CA  
796  C C   . PHE A 111 ? 0.29502 0.62749 0.42074 -0.13486 -0.01778 -0.16209 118 PHE A C   
797  O O   . PHE A 111 ? 0.30154 0.64986 0.40360 -0.13989 -0.02306 -0.17614 118 PHE A O   
798  C CB  . PHE A 111 ? 0.24616 0.45090 0.36621 -0.07848 -0.00498 -0.11390 118 PHE A CB  
799  C CG  . PHE A 111 ? 0.21822 0.44649 0.31964 -0.05556 -0.01940 -0.10460 118 PHE A CG  
800  C CD1 . PHE A 111 ? 0.23565 0.45400 0.31711 -0.06733 -0.01234 -0.12772 118 PHE A CD1 
801  C CD2 . PHE A 111 ? 0.22194 0.47207 0.31897 -0.02148 -0.03844 -0.07156 118 PHE A CD2 
802  C CE1 . PHE A 111 ? 0.25871 0.49556 0.31918 -0.04806 -0.02283 -0.11782 118 PHE A CE1 
803  C CE2 . PHE A 111 ? 0.27738 0.54081 0.34947 -0.00338 -0.05113 -0.06130 118 PHE A CE2 
804  C CZ  . PHE A 111 ? 0.27699 0.53580 0.33235 -0.01811 -0.04227 -0.08453 118 PHE A CZ  
805  N N   . MET A 112 ? 0.27436 0.65210 0.41737 -0.12590 -0.02517 -0.14491 119 MET A N   
806  C CA  . MET A 112 ? 0.37384 0.81424 0.50789 -0.11697 -0.04088 -0.14123 119 MET A CA  
807  C C   . MET A 112 ? 0.33772 0.80051 0.46919 -0.15610 -0.03510 -0.17061 119 MET A C   
808  O O   . MET A 112 ? 0.40957 0.91123 0.52786 -0.15506 -0.04714 -0.17623 119 MET A O   
809  C CB  . MET A 112 ? 0.40503 0.87636 0.55419 -0.09250 -0.04801 -0.11641 119 MET A CB  
810  C CG  . MET A 112 ? 0.20282 0.64831 0.33313 -0.04698 -0.05952 -0.08367 119 MET A CG  
811  S SD  . MET A 112 ? 0.63350 1.09282 0.77316 -0.02123 -0.06197 -0.05896 119 MET A SD  
812  C CE  . MET A 112 ? 0.36154 0.74976 0.46193 0.02195  -0.06938 -0.02437 119 MET A CE  
813  N N   . GLU A 113 ? 0.33165 0.76072 0.47062 -0.19046 -0.01643 -0.18761 120 GLU A N   
814  C CA  . GLU A 113 ? 0.39048 0.82213 0.51709 -0.22891 -0.00984 -0.21430 120 GLU A CA  
815  C C   . GLU A 113 ? 0.42471 0.82411 0.51913 -0.23346 -0.00951 -0.23105 120 GLU A C   
816  O O   . GLU A 113 ? 0.47853 0.90621 0.55854 -0.24939 -0.01655 -0.24582 120 GLU A O   
817  C CB  . GLU A 113 ? 0.42371 0.80302 0.55249 -0.26000 0.01198  -0.22359 120 GLU A CB  
818  C CG  . GLU A 113 ? 0.78201 1.20354 0.91953 -0.29304 0.01393  -0.23519 120 GLU A CG  
819  C CD  . GLU A 113 ? 0.94972 1.30392 1.07608 -0.32393 0.03649  -0.24332 120 GLU A CD  
820  O OE1 . GLU A 113 ? 0.76982 1.05820 0.89312 -0.31084 0.04883  -0.23149 120 GLU A OE1 
821  O OE2 . GLU A 113 ? 1.07867 1.44103 1.19555 -0.36007 0.04097  -0.26005 120 GLU A OE2 
822  N N   . ALA A 114 ? 0.40002 0.74061 0.48278 -0.21819 -0.00166 -0.22883 121 ALA A N   
823  C CA  . ALA A 114 ? 0.42844 0.73643 0.47904 -0.21887 0.00168  -0.24488 121 ALA A CA  
824  C C   . ALA A 114 ? 0.41332 0.77792 0.45309 -0.19837 -0.01854 -0.23673 121 ALA A C   
825  O O   . ALA A 114 ? 0.46784 0.83141 0.48037 -0.20894 -0.01972 -0.25252 121 ALA A O   
826  C CB  . ALA A 114 ? 0.41631 0.64886 0.45975 -0.20269 0.01623  -0.24379 121 ALA A CB  
827  N N   . LEU A 115 ? 0.37057 0.77434 0.42526 -0.16669 -0.03403 -0.20940 122 LEU A N   
828  C CA  . LEU A 115 ? 0.36731 0.80588 0.40362 -0.14243 -0.05175 -0.19554 122 LEU A CA  
829  C C   . LEU A 115 ? 0.46999 0.95618 0.50328 -0.15796 -0.06263 -0.20581 122 LEU A C   
830  O O   . LEU A 115 ? 0.46893 0.96183 0.47594 -0.15704 -0.07108 -0.21134 122 LEU A O   
831  C CB  . LEU A 115 ? 0.31159 0.76255 0.35742 -0.10364 -0.06366 -0.16044 122 LEU A CB  
832  C CG  . LEU A 115 ? 0.32601 0.73394 0.36993 -0.08206 -0.05953 -0.14407 122 LEU A CG  
833  C CD1 . LEU A 115 ? 0.36109 0.76820 0.40730 -0.04544 -0.07035 -0.10648 122 LEU A CD1 
834  C CD2 . LEU A 115 ? 0.33521 0.72028 0.34785 -0.07855 -0.05700 -0.15098 122 LEU A CD2 
835  N N   . GLN A 116 ? 0.46848 0.98809 0.52818 -0.17272 -0.06302 -0.20845 123 GLN A N   
836  C CA  . GLN A 116 ? 0.48601 1.05529 0.54721 -0.19031 -0.07429 -0.22048 123 GLN A CA  
837  C C   . GLN A 116 ? 0.56130 1.10742 0.60187 -0.22947 -0.06652 -0.25029 123 GLN A C   
838  O O   . GLN A 116 ? 0.69647 1.27758 0.73045 -0.24497 -0.07883 -0.26173 123 GLN A O   
839  C CB  . GLN A 116 ? 0.46049 1.07555 0.55692 -0.19633 -0.07511 -0.21573 123 GLN A CB  
840  C CG  . GLN A 116 ? 0.48706 1.13263 0.59587 -0.15498 -0.08737 -0.18776 123 GLN A CG  
841  C CD  . GLN A 116 ? 0.99856 1.71405 1.12999 -0.15767 -0.09883 -0.18960 123 GLN A CD  
842  O OE1 . GLN A 116 ? 1.00019 1.74725 1.14197 -0.19296 -0.09858 -0.21090 123 GLN A OE1 
843  N NE2 . GLN A 116 ? 0.98681 1.72319 1.12401 -0.12069 -0.10864 -0.16762 123 GLN A NE2 
844  N N   . ALA A 117 ? 0.56923 1.05082 0.59625 -0.24407 -0.04697 -0.26279 124 ALA A N   
845  C CA  . ALA A 117 ? 0.63893 1.07848 0.63680 -0.27696 -0.03673 -0.28964 124 ALA A CA  
846  C C   . ALA A 117 ? 0.78754 1.18448 0.74745 -0.26483 -0.03304 -0.29650 124 ALA A C   
847  O O   . ALA A 117 ? 0.81958 1.16274 0.74948 -0.28465 -0.02001 -0.31741 124 ALA A O   
848  C CB  . ALA A 117 ? 0.66787 1.05018 0.66935 -0.30094 -0.01470 -0.29949 124 ALA A CB  
849  N N   . GLY A 118 ? 0.55477 0.96942 0.51147 -0.23140 -0.04294 -0.27815 125 GLY A N   
850  C CA  . GLY A 118 ? 0.65042 1.03501 0.56919 -0.22024 -0.04018 -0.28311 125 GLY A CA  
851  C C   . GLY A 118 ? 0.61519 0.96405 0.53187 -0.19451 -0.02789 -0.27196 125 GLY A C   
852  O O   . GLY A 118 ? 0.58209 0.91555 0.46901 -0.18117 -0.02553 -0.27141 125 GLY A O   
853  N N   . ALA A 119 ? 0.49055 0.82382 0.43590 -0.18748 -0.01961 -0.26314 126 ALA A N   
854  C CA  . ALA A 119 ? 0.45585 0.75559 0.40058 -0.16292 -0.00974 -0.25332 126 ALA A CA  
855  C C   . ALA A 119 ? 0.44980 0.78833 0.39237 -0.13186 -0.02821 -0.22349 126 ALA A C   
856  O O   . ALA A 119 ? 0.44494 0.82793 0.39220 -0.12494 -0.04730 -0.20774 126 ALA A O   
857  C CB  . ALA A 119 ? 0.45112 0.71775 0.42587 -0.16338 0.00093  -0.25059 126 ALA A CB  
858  N N   . ASP A 120 ? 0.41618 0.72966 0.34919 -0.11083 -0.02083 -0.21401 127 ASP A N   
859  C CA  . ASP A 120 ? 0.40811 0.74199 0.33573 -0.08104 -0.03658 -0.17955 127 ASP A CA  
860  C C   . ASP A 120 ? 0.36266 0.67655 0.31175 -0.06037 -0.03490 -0.15960 127 ASP A C   
861  O O   . ASP A 120 ? 0.30726 0.57379 0.28166 -0.06308 -0.01551 -0.16426 127 ASP A O   
862  C CB  . ASP A 120 ? 0.41519 0.73859 0.30518 -0.07429 -0.03166 -0.17786 127 ASP A CB  
863  C CG  . ASP A 120 ? 0.52715 0.81136 0.40791 -0.07490 -0.00421 -0.19670 127 ASP A CG  
864  O OD1 . ASP A 120 ? 0.68508 0.94156 0.56079 -0.09334 0.01410  -0.22717 127 ASP A OD1 
865  O OD2 . ASP A 120 ? 0.45864 0.72997 0.34439 -0.05329 0.00108  -0.17473 127 ASP A OD2 
866  N N   . ILE A 121 ? 0.31679 0.63950 0.26041 -0.03344 -0.05044 -0.12292 128 ILE A N   
867  C CA  . ILE A 121 ? 0.25307 0.55069 0.21731 -0.01022 -0.05282 -0.09325 128 ILE A CA  
868  C C   . ILE A 121 ? 0.29475 0.53483 0.27236 -0.00424 -0.02766 -0.09143 128 ILE A C   
869  O O   . ILE A 121 ? 0.32510 0.52627 0.33096 0.00744  -0.02191 -0.07582 128 ILE A O   
870  C CB  . ILE A 121 ? 0.29288 0.57552 0.24215 0.01379  -0.06520 -0.05245 128 ILE A CB  
871  C CG1 . ILE A 121 ? 0.37752 0.66900 0.33692 0.01588  -0.07399 -0.04470 128 ILE A CG1 
872  C CG2 . ILE A 121 ? 0.29415 0.53168 0.25017 0.03380  -0.06336 -0.02165 128 ILE A CG2 
873  C CD1 . ILE A 121 ? 0.40671 0.67192 0.34536 0.02741  -0.08244 -0.02383 128 ILE A CD1 
874  N N   . SER A 122 ? 0.32265 0.55647 0.28057 -0.01148 -0.01167 -0.10928 129 SER A N   
875  C CA  . SER A 122 ? 0.35376 0.54271 0.32902 -0.00114 0.01205  -0.10777 129 SER A CA  
876  C C   . SER A 122 ? 0.36107 0.50294 0.36529 -0.00621 0.02974  -0.12586 129 SER A C   
877  O O   . SER A 122 ? 0.35944 0.46065 0.38429 0.00905  0.04462  -0.12005 129 SER A O   
878  C CB  . SER A 122 ? 0.31217 0.50869 0.26015 -0.00715 0.02937  -0.12652 129 SER A CB  
879  O OG  . SER A 122 ? 0.37654 0.56460 0.31238 -0.02742 0.04424  -0.16605 129 SER A OG  
880  N N   . MET A 123 ? 0.31954 0.46464 0.32350 -0.02806 0.02795  -0.14799 130 MET A N   
881  C CA  . MET A 123 ? 0.31931 0.41049 0.33974 -0.03719 0.04406  -0.16540 130 MET A CA  
882  C C   . MET A 123 ? 0.34916 0.41598 0.39737 -0.02685 0.03627  -0.14026 130 MET A C   
883  O O   . MET A 123 ? 0.30514 0.32181 0.36189 -0.03590 0.04787  -0.15187 130 MET A O   
884  C CB  . MET A 123 ? 0.36538 0.46632 0.36644 -0.07200 0.04721  -0.20208 130 MET A CB  
885  C CG  . MET A 123 ? 0.42010 0.53887 0.38542 -0.08074 0.05425  -0.22635 130 MET A CG  
886  S SD  . MET A 123 ? 0.55653 0.69809 0.48975 -0.12362 0.04949  -0.26666 130 MET A SD  
887  C CE  . MET A 123 ? 0.62519 0.68583 0.56683 -0.13763 0.06948  -0.28130 130 MET A CE  
888  N N   . ILE A 124 ? 0.24018 0.33191 0.29545 -0.00699 0.01770  -0.10557 131 ILE A N   
889  C CA  . ILE A 124 ? 0.21991 0.29310 0.29391 0.00317  0.00845  -0.08095 131 ILE A CA  
890  C C   . ILE A 124 ? 0.24837 0.24481 0.33852 0.01283  0.02324  -0.07759 131 ILE A C   
891  O O   . ILE A 124 ? 0.24427 0.20833 0.34318 0.00740  0.02522  -0.07478 131 ILE A O   
892  C CB  . ILE A 124 ? 0.24156 0.34231 0.30921 0.02746  -0.01383 -0.04371 131 ILE A CB  
893  C CG1 . ILE A 124 ? 0.24352 0.32755 0.32351 0.03913  -0.02382 -0.01922 131 ILE A CG1 
894  C CG2 . ILE A 124 ? 0.23601 0.31456 0.30031 0.04692  -0.01151 -0.02568 131 ILE A CG2 
895  C CD1 . ILE A 124 ? 0.27920 0.38485 0.34256 0.06389  -0.04770 0.01609  131 ILE A CD1 
896  N N   . GLY A 125 ? 0.26466 0.23189 0.35800 0.02778  0.03382  -0.07815 132 GLY A N   
897  C CA  . GLY A 125 ? 0.29238 0.18977 0.39803 0.04167  0.04296  -0.07247 132 GLY A CA  
898  C C   . GLY A 125 ? 0.37463 0.23505 0.46135 0.02139  0.05267  -0.09195 132 GLY A C   
899  O O   . GLY A 125 ? 0.38999 0.22058 0.45565 0.02625  0.04268  -0.07137 132 GLY A O   
900  N N   . GLN A 126 ? 0.33000 0.19975 0.40970 -0.00339 0.06704  -0.13297 133 GLN A N   
901  C CA  . GLN A 126 ? 0.38799 0.22295 0.44488 -0.02388 0.07303  -0.14586 133 GLN A CA  
902  C C   . GLN A 126 ? 0.36655 0.19627 0.42572 -0.04038 0.06743  -0.13709 133 GLN A C   
903  O O   . GLN A 126 ? 0.43854 0.23744 0.47844 -0.05469 0.07041  -0.14195 133 GLN A O   
904  C CB  . GLN A 126 ? 0.45422 0.30738 0.49141 -0.05022 0.08431  -0.18526 133 GLN A CB  
905  C CG  . GLN A 126 ? 0.48480 0.34699 0.51529 -0.03322 0.09317  -0.19534 133 GLN A CG  
906  C CD  . GLN A 126 ? 0.59882 0.47696 0.59852 -0.05763 0.10137  -0.22922 133 GLN A CD  
907  O OE1 . GLN A 126 ? 0.70351 0.55875 0.68314 -0.08156 0.10255  -0.24237 133 GLN A OE1 
908  N NE2 . GLN A 126 ? 0.62878 0.54722 0.62009 -0.05172 0.10570  -0.24013 133 GLN A NE2 
909  N N   . PHE A 127 ? 0.31916 0.17810 0.40142 -0.03713 0.05916  -0.12513 134 PHE A N   
910  C CA  . PHE A 127 ? 0.35525 0.21710 0.44429 -0.05182 0.05603  -0.11700 134 PHE A CA  
911  C C   . PHE A 127 ? 0.37243 0.21409 0.45788 -0.02117 0.04296  -0.07283 134 PHE A C   
912  O O   . PHE A 127 ? 0.35554 0.20152 0.44703 -0.02656 0.04097  -0.06243 134 PHE A O   
913  C CB  . PHE A 127 ? 0.29008 0.24361 0.38972 -0.06810 0.04383  -0.12204 134 PHE A CB  
914  C CG  . PHE A 127 ? 0.32022 0.31171 0.40610 -0.09811 0.04728  -0.15714 134 PHE A CG  
915  C CD1 . PHE A 127 ? 0.37040 0.35056 0.44800 -0.13874 0.05793  -0.18553 134 PHE A CD1 
916  C CD2 . PHE A 127 ? 0.31473 0.34378 0.38996 -0.08837 0.04094  -0.16240 134 PHE A CD2 
917  C CE1 . PHE A 127 ? 0.40645 0.41500 0.46473 -0.16550 0.05906  -0.21439 134 PHE A CE1 
918  C CE2 . PHE A 127 ? 0.35415 0.40997 0.40960 -0.11627 0.04380  -0.19556 134 PHE A CE2 
919  C CZ  . PHE A 127 ? 0.39997 0.44417 0.44723 -0.15601 0.05195  -0.22377 134 PHE A CZ  
920  N N   . GLY A 128 ? 0.34613 0.17708 0.41087 0.00508  0.03135  -0.05011 135 GLY A N   
921  C CA  . GLY A 128 ? 0.34006 0.16822 0.38676 0.01926  0.01884  -0.02290 135 GLY A CA  
922  C C   . GLY A 128 ? 0.28804 0.14816 0.33815 0.02855  0.00988  -0.00299 135 GLY A C   
923  O O   . GLY A 128 ? 0.33953 0.20250 0.38538 0.03111  0.00640  0.00940  135 GLY A O   
924  N N   . VAL A 129 ? 0.22962 0.11453 0.28928 0.03418  0.00616  -0.00223 136 VAL A N   
925  C CA  . VAL A 129 ? 0.20999 0.12689 0.26067 0.04400  -0.00530 0.01652  136 VAL A CA  
926  C C   . VAL A 129 ? 0.20865 0.14781 0.25259 0.05308  -0.01181 0.02200  136 VAL A C   
927  O O   . VAL A 129 ? 0.21298 0.18012 0.24614 0.05900  -0.02179 0.02845  136 VAL A O   
928  C CB  . VAL A 129 ? 0.21799 0.16302 0.30864 0.04650  -0.01036 0.01972  136 VAL A CB  
929  C CG1 . VAL A 129 ? 0.26297 0.17852 0.35356 0.03334  0.00034  0.01640  136 VAL A CG1 
930  C CG2 . VAL A 129 ? 0.21728 0.21661 0.33142 0.02652  -0.00741 -0.01049 136 VAL A CG2 
931  N N   . GLY A 130 ? 0.22218 0.19002 0.24207 -0.02401 -0.02107 -0.05441 137 GLY A N   
932  C CA  . GLY A 130 ? 0.21678 0.19282 0.22675 -0.01265 -0.01860 -0.05370 137 GLY A CA  
933  C C   . GLY A 130 ? 0.21753 0.20102 0.22909 -0.01040 -0.01266 -0.04252 137 GLY A C   
934  O O   . GLY A 130 ? 0.22976 0.22302 0.23630 -0.00365 -0.01029 -0.03902 137 GLY A O   
935  N N   . PHE A 131 ? 0.20934 0.18774 0.22728 -0.01556 -0.01036 -0.03674 138 PHE A N   
936  C CA  . PHE A 131 ? 0.20408 0.18722 0.22413 -0.01372 -0.00681 -0.02952 138 PHE A CA  
937  C C   . PHE A 131 ? 0.17609 0.17012 0.19571 -0.01082 -0.00723 -0.02789 138 PHE A C   
938  O O   . PHE A 131 ? 0.19426 0.18946 0.21301 -0.00669 -0.00471 -0.02234 138 PHE A O   
939  C CB  . PHE A 131 ? 0.18307 0.16282 0.20756 -0.01818 -0.00583 -0.02638 138 PHE A CB  
940  C CG  . PHE A 131 ? 0.18253 0.16650 0.20899 -0.01598 -0.00448 -0.02317 138 PHE A CG  
941  C CD1 . PHE A 131 ? 0.20203 0.18271 0.22979 -0.01386 -0.00357 -0.02097 138 PHE A CD1 
942  C CD2 . PHE A 131 ? 0.21279 0.20451 0.24133 -0.01574 -0.00471 -0.02338 138 PHE A CD2 
943  C CE1 . PHE A 131 ? 0.21310 0.19320 0.24398 -0.01276 -0.00393 -0.02004 138 PHE A CE1 
944  C CE2 . PHE A 131 ? 0.20345 0.19489 0.23274 -0.01167 -0.00448 -0.02258 138 PHE A CE2 
945  C CZ  . PHE A 131 ? 0.26789 0.25107 0.29822 -0.01080 -0.00461 -0.02143 138 PHE A CZ  
946  N N   . TYR A 132 ? 0.19906 0.20141 0.22083 -0.01306 -0.01063 -0.03189 139 TYR A N   
947  C CA  . TYR A 132 ? 0.20407 0.21840 0.22609 -0.00818 -0.01156 -0.02968 139 TYR A CA  
948  C C   . TYR A 132 ? 0.24128 0.26119 0.25430 0.00012  -0.01217 -0.02800 139 TYR A C   
949  O O   . TYR A 132 ? 0.22803 0.25424 0.23909 0.00674  -0.01214 -0.02279 139 TYR A O   
950  C CB  . TYR A 132 ? 0.17470 0.20258 0.20447 -0.01271 -0.01516 -0.03433 139 TYR A CB  
951  C CG  . TYR A 132 ? 0.20388 0.23001 0.24124 -0.01933 -0.01208 -0.03215 139 TYR A CG  
952  C CD1 . TYR A 132 ? 0.19853 0.22879 0.23720 -0.01480 -0.00923 -0.02849 139 TYR A CD1 
953  C CD2 . TYR A 132 ? 0.22120 0.24054 0.26283 -0.02874 -0.01199 -0.03346 139 TYR A CD2 
954  C CE1 . TYR A 132 ? 0.20140 0.23371 0.24372 -0.01850 -0.00577 -0.02649 139 TYR A CE1 
955  C CE2 . TYR A 132 ? 0.23665 0.25610 0.28282 -0.03367 -0.00789 -0.02846 139 TYR A CE2 
956  C CZ  . TYR A 132 ? 0.21992 0.24829 0.26548 -0.02798 -0.00456 -0.02518 139 TYR A CZ  
957  O OH  . TYR A 132 ? 0.23057 0.26293 0.27741 -0.03039 -0.00007 -0.02042 139 TYR A OH  
958  N N   . SER A 133 ? 0.20358 0.22125 0.20975 0.00184  -0.01212 -0.03124 140 SER A N   
959  C CA  . SER A 133 ? 0.21363 0.23924 0.20890 0.01132  -0.01046 -0.02722 140 SER A CA  
960  C C   . SER A 133 ? 0.18498 0.20581 0.18143 0.01373  -0.00360 -0.01375 140 SER A C   
961  O O   . SER A 133 ? 0.22364 0.25161 0.21209 0.02130  -0.00057 -0.00550 140 SER A O   
962  C CB  . SER A 133 ? 0.23635 0.26235 0.22323 0.01466  -0.01094 -0.03470 140 SER A CB  
963  O OG  . SER A 133 ? 0.24289 0.25925 0.23336 0.01272  -0.00577 -0.03158 140 SER A OG  
964  N N   . ALA A 134 ? 0.19898 0.20825 0.20530 0.00726  -0.00137 -0.01113 141 ALA A N   
965  C CA  . ALA A 134 ? 0.21073 0.21329 0.22189 0.00719  0.00308  -0.00023 141 ALA A CA  
966  C C   . ALA A 134 ? 0.21032 0.21318 0.21818 0.01358  0.00258  0.00714  141 ALA A C   
967  O O   . ALA A 134 ? 0.22384 0.22215 0.23179 0.01581  0.00699  0.01929  141 ALA A O   
968  C CB  . ALA A 134 ? 0.20955 0.20092 0.23112 0.00018  0.00227  -0.00279 141 ALA A CB  
969  N N   . TYR A 135 ? 0.19353 0.20271 0.19961 0.01689  -0.00257 0.00115  142 TYR A N   
970  C CA  . TYR A 135 ? 0.23640 0.24682 0.23941 0.02581  -0.00396 0.00766  142 TYR A CA  
971  C C   . TYR A 135 ? 0.22279 0.24597 0.21291 0.03565  -0.00376 0.01446  142 TYR A C   
972  O O   . TYR A 135 ? 0.23598 0.26101 0.22142 0.04551  -0.00513 0.02190  142 TYR A O   
973  C CB  . TYR A 135 ? 0.19541 0.21405 0.20339 0.02709  -0.00915 -0.00110 142 TYR A CB  
974  C CG  . TYR A 135 ? 0.19909 0.20509 0.21592 0.02170  -0.00806 -0.00444 142 TYR A CG  
975  C CD1 . TYR A 135 ? 0.23458 0.22563 0.25364 0.02689  -0.00761 -0.00015 142 TYR A CD1 
976  C CD2 . TYR A 135 ? 0.18450 0.19132 0.20587 0.01248  -0.00779 -0.01166 142 TYR A CD2 
977  C CE1 . TYR A 135 ? 0.23086 0.21123 0.25578 0.02345  -0.00786 -0.00598 142 TYR A CE1 
978  C CE2 . TYR A 135 ? 0.18631 0.18443 0.21258 0.00939  -0.00702 -0.01459 142 TYR A CE2 
979  C CZ  . TYR A 135 ? 0.20996 0.19643 0.23751 0.01510  -0.00744 -0.01301 142 TYR A CZ  
980  O OH  . TYR A 135 ? 0.21894 0.19894 0.24920 0.01350  -0.00801 -0.01882 142 TYR A OH  
981  N N   . LEU A 136 ? 0.23015 0.26220 0.21291 0.03529  -0.00198 0.01245  143 LEU A N   
982  C CA  . LEU A 136 ? 0.21391 0.25892 0.18157 0.04621  0.00009  0.02092  143 LEU A CA  
983  C C   . LEU A 136 ? 0.23050 0.26489 0.19841 0.04797  0.00873  0.04098  143 LEU A C   
984  O O   . LEU A 136 ? 0.28514 0.32616 0.24122 0.05879  0.01096  0.05411  143 LEU A O   
985  C CB  . LEU A 136 ? 0.23699 0.29372 0.19623 0.04679  0.00043  0.01200  143 LEU A CB  
986  C CG  . LEU A 136 ? 0.22526 0.29094 0.18292 0.04529  -0.00905 -0.00778 143 LEU A CG  
987  C CD1 . LEU A 136 ? 0.25424 0.32273 0.20481 0.04611  -0.00815 -0.01725 143 LEU A CD1 
988  C CD2 . LEU A 136 ? 0.24500 0.32965 0.19270 0.05553  -0.01678 -0.01101 143 LEU A CD2 
989  N N   . VAL A 137 ? 0.23076 0.24919 0.21277 0.03709  0.01329  0.04418  144 VAL A N   
990  C CA  . VAL A 137 ? 0.23133 0.23969 0.21863 0.03468  0.02155  0.06299  144 VAL A CA  
991  C C   . VAL A 137 ? 0.22162 0.20442 0.22461 0.02700  0.02018  0.06549  144 VAL A C   
992  O O   . VAL A 137 ? 0.28377 0.25300 0.29230 0.02515  0.02524  0.08196  144 VAL A O   
993  C CB  . VAL A 137 ? 0.24993 0.26871 0.24137 0.02889  0.02914  0.06614  144 VAL A CB  
994  C CG1 . VAL A 137 ? 0.27684 0.32058 0.24914 0.04039  0.03127  0.06481  144 VAL A CG1 
995  C CG2 . VAL A 137 ? 0.24760 0.26172 0.25203 0.01847  0.02597  0.05115  144 VAL A CG2 
996  N N   . ALA A 138 ? 0.23409 0.20952 0.24375 0.02316  0.01353  0.05027  145 ALA A N   
997  C CA  . ALA A 138 ? 0.27628 0.22914 0.29913 0.01704  0.01106  0.04799  145 ALA A CA  
998  C C   . ALA A 138 ? 0.26428 0.20886 0.28321 0.02685  0.00544  0.04424  145 ALA A C   
999  O O   . ALA A 138 ? 0.31846 0.27869 0.33110 0.03266  0.00135  0.03449  145 ALA A O   
1000 C CB  . ALA A 138 ? 0.25369 0.20750 0.28545 0.00750  0.00828  0.03347  145 ALA A CB  
1001 N N   . GLU A 139 ? 0.26739 0.18736 0.29218 0.02828  0.00485  0.05095  146 GLU A N   
1002 C CA  . GLU A 139 ? 0.28638 0.19734 0.30888 0.03923  -0.00101 0.04406  146 GLU A CA  
1003 C C   . GLU A 139 ? 0.28759 0.19462 0.31731 0.03475  -0.00559 0.02624  146 GLU A C   
1004 O O   . GLU A 139 ? 0.31664 0.22777 0.34336 0.04456  -0.00959 0.01713  146 GLU A O   
1005 C CB  . GLU A 139 ? 0.34885 0.23066 0.37288 0.04562  -0.00079 0.05739  146 GLU A CB  
1006 C CG  . GLU A 139 ? 0.44167 0.29630 0.48050 0.03212  0.00072  0.06176  146 GLU A CG  
1007 C CD  . GLU A 139 ? 0.76733 0.59011 0.80837 0.03671  0.00206  0.07939  146 GLU A CD  
1008 O OE1 . GLU A 139 ? 0.78172 0.57381 0.83697 0.02809  -0.00072 0.07735  146 GLU A OE1 
1009 O OE2 . GLU A 139 ? 0.71356 0.54110 0.74216 0.04911  0.00513  0.09508  146 GLU A OE2 
1010 N N   . LYS A 140 ? 0.25581 0.15765 0.29476 0.02162  -0.00500 0.02160  147 LYS A N   
1011 C CA  . LYS A 140 ? 0.24276 0.14395 0.28578 0.01829  -0.00939 0.00542  147 LYS A CA  
1012 C C   . LYS A 140 ? 0.25029 0.16366 0.29803 0.00608  -0.00739 0.00306  147 LYS A C   
1013 O O   . LYS A 140 ? 0.25204 0.16495 0.30558 -0.00132 -0.00346 0.01281  147 LYS A O   
1014 C CB  . LYS A 140 ? 0.27039 0.14290 0.32092 0.01852  -0.01431 0.00017  147 LYS A CB  
1015 C CG  . LYS A 140 ? 0.28803 0.16167 0.33966 0.01763  -0.01971 -0.01794 147 LYS A CG  
1016 C CD  . LYS A 140 ? 0.40165 0.24525 0.45811 0.02154  -0.02634 -0.02608 147 LYS A CD  
1017 C CE  . LYS A 140 ? 0.46093 0.28850 0.53259 0.00613  -0.02961 -0.02736 147 LYS A CE  
1018 N NZ  . LYS A 140 ? 0.54120 0.33510 0.61820 0.00804  -0.03601 -0.03312 147 LYS A NZ  
1019 N N   . VAL A 141 ? 0.22682 0.15302 0.27182 0.00528  -0.00933 -0.00823 148 VAL A N   
1020 C CA  . VAL A 141 ? 0.19380 0.12959 0.24221 -0.00360 -0.00847 -0.01096 148 VAL A CA  
1021 C C   . VAL A 141 ? 0.24228 0.17484 0.29249 -0.00454 -0.01353 -0.02308 148 VAL A C   
1022 O O   . VAL A 141 ? 0.21711 0.15274 0.26064 0.00280  -0.01544 -0.03050 148 VAL A O   
1023 C CB  . VAL A 141 ? 0.18879 0.14317 0.22979 -0.00297 -0.00582 -0.01095 148 VAL A CB  
1024 C CG1 . VAL A 141 ? 0.24434 0.20489 0.28815 -0.00964 -0.00541 -0.01354 148 VAL A CG1 
1025 C CG2 . VAL A 141 ? 0.19887 0.15914 0.23523 0.00020  -0.00229 -0.00153 148 VAL A CG2 
1026 N N   . THR A 142 ? 0.21107 0.14092 0.27039 -0.01250 -0.01581 -0.02524 149 THR A N   
1027 C CA  . THR A 142 ? 0.20705 0.13805 0.26660 -0.01282 -0.02188 -0.03754 149 THR A CA  
1028 C C   . THR A 142 ? 0.25745 0.20481 0.31658 -0.01667 -0.02060 -0.03652 149 THR A C   
1029 O O   . THR A 142 ? 0.26003 0.21210 0.32729 -0.02249 -0.01771 -0.02937 149 THR A O   
1030 C CB  . THR A 142 ? 0.24389 0.15862 0.31650 -0.01852 -0.02841 -0.04328 149 THR A CB  
1031 O OG1 . THR A 142 ? 0.31183 0.20498 0.38555 -0.01444 -0.02963 -0.04255 149 THR A OG1 
1032 C CG2 . THR A 142 ? 0.26992 0.18876 0.33905 -0.01591 -0.03650 -0.05908 149 THR A CG2 
1033 N N   . VAL A 143 ? 0.22330 0.18001 0.27263 -0.01212 -0.02214 -0.04248 150 VAL A N   
1034 C CA  . VAL A 143 ? 0.19212 0.16082 0.23946 -0.01354 -0.02152 -0.04057 150 VAL A CA  
1035 C C   . VAL A 143 ? 0.22788 0.20130 0.27324 -0.01115 -0.02868 -0.05028 150 VAL A C   
1036 O O   . VAL A 143 ? 0.23939 0.21439 0.27404 -0.00440 -0.03055 -0.05680 150 VAL A O   
1037 C CB  . VAL A 143 ? 0.18642 0.16159 0.22297 -0.01045 -0.01632 -0.03557 150 VAL A CB  
1038 C CG1 . VAL A 143 ? 0.23653 0.21845 0.27006 -0.01035 -0.01626 -0.03286 150 VAL A CG1 
1039 C CG2 . VAL A 143 ? 0.22110 0.19397 0.25885 -0.01190 -0.01144 -0.02903 150 VAL A CG2 
1040 N N   . ILE A 144 ? 0.19259 0.17160 0.24832 -0.01556 -0.03301 -0.05197 151 ILE A N   
1041 C CA  . ILE A 144 ? 0.19221 0.18021 0.24573 -0.01238 -0.04156 -0.06200 151 ILE A CA  
1042 C C   . ILE A 144 ? 0.22248 0.22392 0.26928 -0.00824 -0.03976 -0.05567 151 ILE A C   
1043 O O   . ILE A 144 ? 0.21728 0.22178 0.27190 -0.01130 -0.03577 -0.04786 151 ILE A O   
1044 C CB  . ILE A 144 ? 0.22863 0.21658 0.30178 -0.02054 -0.04980 -0.06963 151 ILE A CB  
1045 C CG1 . ILE A 144 ? 0.36854 0.33696 0.45350 -0.02757 -0.04961 -0.07033 151 ILE A CG1 
1046 C CG2 . ILE A 144 ? 0.24221 0.24062 0.31101 -0.01567 -0.06124 -0.08396 151 ILE A CG2 
1047 C CD1 . ILE A 144 ? 0.34727 0.30157 0.42122 -0.02063 -0.05319 -0.08048 151 ILE A CD1 
1048 N N   . THR A 145 ? 0.18540 0.19500 0.21697 0.00021  -0.04257 -0.05849 152 THR A N   
1049 C CA  . THR A 145 ? 0.21060 0.22765 0.23417 0.00525  -0.03982 -0.04927 152 THR A CA  
1050 C C   . THR A 145 ? 0.25221 0.28310 0.26378 0.01459  -0.04702 -0.05402 152 THR A C   
1051 O O   . THR A 145 ? 0.25410 0.28868 0.25668 0.01906  -0.05150 -0.06358 152 THR A O   
1052 C CB  . THR A 145 ? 0.22223 0.23080 0.23548 0.00584  -0.03012 -0.03857 152 THR A CB  
1053 O OG1 . THR A 145 ? 0.24557 0.25367 0.25481 0.00889  -0.02745 -0.02898 152 THR A OG1 
1054 C CG2 . THR A 145 ? 0.23727 0.24938 0.23558 0.01119  -0.02825 -0.03984 152 THR A CG2 
1055 N N   . LYS A 146 ? 0.18788 0.22727 0.19805 0.01961  -0.04851 -0.04775 153 LYS A N   
1056 C CA  . LYS A 146 ? 0.21930 0.27414 0.21589 0.03094  -0.05550 -0.04949 153 LYS A CA  
1057 C C   . LYS A 146 ? 0.26460 0.31673 0.25107 0.03822  -0.05013 -0.03370 153 LYS A C   
1058 O O   . LYS A 146 ? 0.23961 0.29054 0.23701 0.03779  -0.04967 -0.02952 153 LYS A O   
1059 C CB  . LYS A 146 ? 0.22321 0.29520 0.23430 0.03052  -0.06813 -0.06214 153 LYS A CB  
1060 C CG  . LYS A 146 ? 0.23197 0.32468 0.22909 0.04434  -0.07743 -0.06447 153 LYS A CG  
1061 C CD  . LYS A 146 ? 0.30376 0.40158 0.27864 0.05269  -0.08091 -0.07240 153 LYS A CD  
1062 C CE  . LYS A 146 ? 0.31719 0.43946 0.27692 0.06773  -0.09192 -0.07647 153 LYS A CE  
1063 N NZ  . LYS A 146 ? 0.31367 0.43756 0.25539 0.07968  -0.08523 -0.05577 153 LYS A NZ  
1064 N N   . HIS A 147 ? 0.23286 0.28407 0.19868 0.04562  -0.04582 -0.02456 154 HIS A N   
1065 C CA  . HIS A 147 ? 0.22298 0.26793 0.17696 0.05327  -0.04121 -0.00772 154 HIS A CA  
1066 C C   . HIS A 147 ? 0.28178 0.34589 0.21979 0.06836  -0.04908 -0.00664 154 HIS A C   
1067 O O   . HIS A 147 ? 0.30950 0.39021 0.23873 0.07280  -0.05502 -0.01720 154 HIS A O   
1068 C CB  . HIS A 147 ? 0.25815 0.28940 0.20242 0.04882  -0.02961 0.00485  154 HIS A CB  
1069 C CG  . HIS A 147 ? 0.25218 0.26879 0.18762 0.05264  -0.02358 0.02391  154 HIS A CG  
1070 N ND1 . HIS A 147 ? 0.30662 0.32984 0.22310 0.06513  -0.02385 0.03647  154 HIS A ND1 
1071 C CD2 . HIS A 147 ? 0.27688 0.27024 0.21932 0.04565  -0.01739 0.03265  154 HIS A CD2 
1072 C CE1 . HIS A 147 ? 0.37849 0.38018 0.29201 0.06498  -0.01763 0.05376  154 HIS A CE1 
1073 N NE2 . HIS A 147 ? 0.30526 0.28789 0.23497 0.05281  -0.01423 0.05024  154 HIS A NE2 
1074 N N   . ASN A 148 ? 0.27712 0.33935 0.21043 0.07819  -0.05021 0.00494  155 ASN A N   
1075 C CA  . ASN A 148 ? 0.28191 0.36450 0.19848 0.09501  -0.05847 0.00747  155 ASN A CA  
1076 C C   . ASN A 148 ? 0.30413 0.39492 0.19521 0.10196  -0.05480 0.01397  155 ASN A C   
1077 O O   . ASN A 148 ? 0.36337 0.47842 0.23958 0.11499  -0.06389 0.00797  155 ASN A O   
1078 C CB  . ASN A 148 ? 0.31479 0.38874 0.22608 0.10707  -0.05797 0.02377  155 ASN A CB  
1079 C CG  . ASN A 148 ? 0.39697 0.47759 0.32982 0.10813  -0.06487 0.01511  155 ASN A CG  
1080 O OD1 . ASN A 148 ? 0.34924 0.45017 0.29938 0.10246  -0.07303 -0.00230 155 ASN A OD1 
1081 N ND2 . ASN A 148 ? 0.35213 0.41575 0.28516 0.11553  -0.06142 0.02742  155 ASN A ND2 
1082 N N   . ASP A 149 ? 0.30985 0.38455 0.19555 0.09436  -0.04178 0.02605  156 ASP A N   
1083 C CA  . ASP A 149 ? 0.38999 0.47551 0.25184 0.10167  -0.03519 0.03691  156 ASP A CA  
1084 C C   . ASP A 149 ? 0.41125 0.51059 0.27175 0.09782  -0.03481 0.02078  156 ASP A C   
1085 O O   . ASP A 149 ? 0.42798 0.53935 0.26997 0.10360  -0.02714 0.02911  156 ASP A O   
1086 C CB  . ASP A 149 ? 0.38733 0.45085 0.24581 0.09560  -0.02049 0.06209  156 ASP A CB  
1087 C CG  . ASP A 149 ? 0.44236 0.48928 0.29586 0.10383  -0.02081 0.08035  156 ASP A CG  
1088 O OD1 . ASP A 149 ? 0.45319 0.51344 0.29890 0.11904  -0.03139 0.07726  156 ASP A OD1 
1089 O OD2 . ASP A 149 ? 0.53593 0.55593 0.39431 0.09537  -0.01121 0.09713  156 ASP A OD2 
1090 N N   . ASP A 150 ? 0.32824 0.42642 0.20756 0.08927  -0.04230 -0.00103 157 ASP A N   
1091 C CA  . ASP A 150 ? 0.28426 0.38964 0.16326 0.08667  -0.04241 -0.01696 157 ASP A CA  
1092 C C   . ASP A 150 ? 0.35206 0.46088 0.24621 0.08367  -0.05692 -0.04225 157 ASP A C   
1093 O O   . ASP A 150 ? 0.33734 0.44737 0.24418 0.08220  -0.06580 -0.04646 157 ASP A O   
1094 C CB  . ASP A 150 ? 0.30902 0.39774 0.20048 0.07289  -0.03010 -0.01084 157 ASP A CB  
1095 C CG  . ASP A 150 ? 0.39298 0.49457 0.27417 0.07678  -0.02476 -0.01653 157 ASP A CG  
1096 O OD1 . ASP A 150 ? 0.39257 0.51272 0.25815 0.08956  -0.03180 -0.03016 157 ASP A OD1 
1097 O OD2 . ASP A 150 ? 0.35416 0.44910 0.24301 0.06803  -0.01386 -0.00810 157 ASP A OD2 
1098 N N   . GLU A 151 ? 0.34590 0.45678 0.23992 0.08296  -0.05928 -0.05895 158 GLU A N   
1099 C CA  . GLU A 151 ? 0.33353 0.44295 0.24287 0.07844  -0.07291 -0.08317 158 GLU A CA  
1100 C C   . GLU A 151 ? 0.28750 0.37396 0.22357 0.06124  -0.06880 -0.08314 158 GLU A C   
1101 O O   . GLU A 151 ? 0.30211 0.37641 0.24210 0.05473  -0.05662 -0.06760 158 GLU A O   
1102 C CB  . GLU A 151 ? 0.40312 0.52212 0.29696 0.08867  -0.07830 -0.10211 158 GLU A CB  
1103 C CG  . GLU A 151 ? 0.45752 0.60127 0.32779 0.10632  -0.08307 -0.10440 158 GLU A CG  
1104 C CD  . GLU A 151 ? 0.65095 0.80603 0.52686 0.10876  -0.09381 -0.10539 158 GLU A CD  
1105 O OE1 . GLU A 151 ? 0.85090 0.99930 0.74936 0.09756  -0.10080 -0.10850 158 GLU A OE1 
1106 O OE2 . GLU A 151 ? 0.90592 1.07954 0.76399 0.12297  -0.09446 -0.10196 158 GLU A OE2 
1107 N N   . GLN A 152 ? 0.28841 0.36959 0.24329 0.05363  -0.07950 -0.10038 159 GLN A N   
1108 C CA  . GLN A 152 ? 0.26080 0.32200 0.23982 0.03836  -0.07545 -0.09858 159 GLN A CA  
1109 C C   . GLN A 152 ? 0.27625 0.32311 0.25240 0.03768  -0.06995 -0.10294 159 GLN A C   
1110 O O   . GLN A 152 ? 0.29451 0.34264 0.26214 0.04499  -0.07691 -0.11953 159 GLN A O   
1111 C CB  . GLN A 152 ? 0.25910 0.32053 0.26197 0.02889  -0.08784 -0.11227 159 GLN A CB  
1112 C CG  . GLN A 152 ? 0.26335 0.30862 0.29133 0.01341  -0.08208 -0.10527 159 GLN A CG  
1113 C CD  . GLN A 152 ? 0.34907 0.40311 0.40301 0.00335  -0.09184 -0.11227 159 GLN A CD  
1114 O OE1 . GLN A 152 ? 0.36048 0.43498 0.41658 0.00717  -0.09635 -0.11029 159 GLN A OE1 
1115 N NE2 . GLN A 152 ? 0.31532 0.35501 0.39015 -0.00926 -0.09535 -0.11988 159 GLN A NE2 
1116 N N   . TYR A 153 ? 0.24093 0.27511 0.22405 0.03043  -0.05857 -0.08965 160 TYR A N   
1117 C CA  . TYR A 153 ? 0.23728 0.26149 0.21809 0.03140  -0.05258 -0.09112 160 TYR A CA  
1118 C C   . TYR A 153 ? 0.24760 0.25294 0.24845 0.01960  -0.05022 -0.08800 160 TYR A C   
1119 O O   . TYR A 153 ? 0.22522 0.22805 0.23856 0.01084  -0.04824 -0.07909 160 TYR A O   
1120 C CB  . TYR A 153 ? 0.23961 0.27281 0.20670 0.03602  -0.04027 -0.07635 160 TYR A CB  
1121 C CG  . TYR A 153 ? 0.29196 0.34463 0.23667 0.05002  -0.04024 -0.07931 160 TYR A CG  
1122 C CD1 . TYR A 153 ? 0.30815 0.36624 0.24321 0.05999  -0.04040 -0.09090 160 TYR A CD1 
1123 C CD2 . TYR A 153 ? 0.36037 0.42693 0.29219 0.05539  -0.04007 -0.07028 160 TYR A CD2 
1124 C CE1 . TYR A 153 ? 0.36636 0.44640 0.27873 0.07500  -0.03948 -0.09405 160 TYR A CE1 
1125 C CE2 . TYR A 153 ? 0.41491 0.50226 0.32329 0.06995  -0.03927 -0.07128 160 TYR A CE2 
1126 C CZ  . TYR A 153 ? 0.47089 0.56635 0.36946 0.07956  -0.03863 -0.08350 160 TYR A CZ  
1127 O OH  . TYR A 153 ? 0.49580 0.61571 0.36931 0.09590  -0.03674 -0.08478 160 TYR A OH  
1128 N N   . ALA A 154 ? 0.24933 0.24281 0.25131 0.02159  -0.04965 -0.09431 161 ALA A N   
1129 C CA  . ALA A 154 ? 0.22531 0.20147 0.24179 0.01352  -0.04589 -0.08847 161 ALA A CA  
1130 C C   . ALA A 154 ? 0.24745 0.22581 0.25622 0.01914  -0.03693 -0.08169 161 ALA A C   
1131 O O   . ALA A 154 ? 0.27081 0.25343 0.26915 0.03002  -0.03734 -0.08994 161 ALA A O   
1132 C CB  . ALA A 154 ? 0.27060 0.22724 0.29825 0.01114  -0.05479 -0.10147 161 ALA A CB  
1133 N N   . TRP A 155 ? 0.21593 0.19392 0.23041 0.01262  -0.02957 -0.06818 162 TRP A N   
1134 C CA  . TRP A 155 ? 0.21843 0.19933 0.23127 0.01529  -0.02267 -0.06190 162 TRP A CA  
1135 C C   . TRP A 155 ? 0.23326 0.19720 0.25634 0.01266  -0.02357 -0.06031 162 TRP A C   
1136 O O   . TRP A 155 ? 0.23954 0.19319 0.27247 0.00458  -0.02539 -0.05703 162 TRP A O   
1137 C CB  . TRP A 155 ? 0.21328 0.20464 0.22538 0.00958  -0.01586 -0.04959 162 TRP A CB  
1138 C CG  . TRP A 155 ? 0.19735 0.19561 0.21140 0.00889  -0.00989 -0.04292 162 TRP A CG  
1139 C CD1 . TRP A 155 ? 0.19004 0.20533 0.20025 0.01050  -0.00451 -0.03888 162 TRP A CD1 
1140 C CD2 . TRP A 155 ? 0.19164 0.18363 0.21295 0.00577  -0.00899 -0.03887 162 TRP A CD2 
1141 N NE1 . TRP A 155 ? 0.18826 0.20858 0.20536 0.00747  -0.00168 -0.03450 162 TRP A NE1 
1142 C CE2 . TRP A 155 ? 0.19829 0.20463 0.22032 0.00567  -0.00474 -0.03480 162 TRP A CE2 
1143 C CE3 . TRP A 155 ? 0.19468 0.17281 0.22217 0.00289  -0.01102 -0.03712 162 TRP A CE3 
1144 C CZ2 . TRP A 155 ? 0.21250 0.22026 0.23956 0.00460  -0.00435 -0.03166 162 TRP A CZ2 
1145 C CZ3 . TRP A 155 ? 0.20841 0.18734 0.23836 0.00282  -0.00894 -0.03159 162 TRP A CZ3 
1146 C CH2 . TRP A 155 ? 0.21083 0.20467 0.23976 0.00435  -0.00654 -0.03012 162 TRP A CH2 
1147 N N   . GLU A 156 ? 0.22453 0.18754 0.24558 0.02038  -0.02181 -0.06120 163 GLU A N   
1148 C CA  . GLU A 156 ? 0.20315 0.14955 0.23172 0.01973  -0.02227 -0.05670 163 GLU A CA  
1149 C C   . GLU A 156 ? 0.21003 0.16617 0.23572 0.02785  -0.01826 -0.05253 163 GLU A C   
1150 O O   . GLU A 156 ? 0.21751 0.18796 0.23732 0.03723  -0.01708 -0.05814 163 GLU A O   
1151 C CB  . GLU A 156 ? 0.30049 0.22383 0.33274 0.02310  -0.02944 -0.06635 163 GLU A CB  
1152 C CG  . GLU A 156 ? 0.33639 0.23756 0.37816 0.01959  -0.02978 -0.05826 163 GLU A CG  
1153 C CD  . GLU A 156 ? 0.48571 0.35983 0.53499 0.01841  -0.03797 -0.06801 163 GLU A CD  
1154 O OE1 . GLU A 156 ? 0.46460 0.32807 0.50779 0.03066  -0.04281 -0.08039 163 GLU A OE1 
1155 O OE2 . GLU A 156 ? 0.46702 0.33181 0.52945 0.00512  -0.03997 -0.06445 163 GLU A OE2 
1156 N N   . SER A 157 ? 0.20666 0.15869 0.23651 0.02538  -0.01622 -0.04274 164 SER A N   
1157 C CA  . SER A 157 ? 0.19377 0.15639 0.22192 0.03461  -0.01444 -0.03962 164 SER A CA  
1158 C C   . SER A 157 ? 0.22237 0.17141 0.25270 0.03588  -0.01465 -0.02990 164 SER A C   
1159 O O   . SER A 157 ? 0.22363 0.16800 0.25637 0.02675  -0.01290 -0.02214 164 SER A O   
1160 C CB  . SER A 157 ? 0.18369 0.17331 0.21179 0.03073  -0.01045 -0.03651 164 SER A CB  
1161 O OG  . SER A 157 ? 0.21693 0.22121 0.24624 0.03942  -0.01016 -0.03470 164 SER A OG  
1162 N N   . SER A 158 ? 0.23482 0.17951 0.26331 0.04912  -0.01631 -0.02957 165 SER A N   
1163 C CA  . SER A 158 ? 0.25619 0.19386 0.28364 0.05426  -0.01601 -0.01792 165 SER A CA  
1164 C C   . SER A 158 ? 0.26785 0.23469 0.29280 0.06154  -0.01538 -0.01585 165 SER A C   
1165 O O   . SER A 158 ? 0.30525 0.27165 0.32714 0.07317  -0.01683 -0.00905 165 SER A O   
1166 C CB  . SER A 158 ? 0.30653 0.21510 0.33389 0.06537  -0.01945 -0.01737 165 SER A CB  
1167 O OG  . SER A 158 ? 0.36637 0.24740 0.39973 0.05513  -0.02115 -0.01876 165 SER A OG  
1168 N N   . ALA A 159 ? 0.23655 0.22869 0.26377 0.05461  -0.01378 -0.02110 166 ALA A N   
1169 C CA  . ALA A 159 ? 0.23001 0.25403 0.25987 0.05788  -0.01417 -0.02189 166 ALA A CA  
1170 C C   . ALA A 159 ? 0.24844 0.28297 0.27970 0.07449  -0.01558 -0.02646 166 ALA A C   
1171 O O   . ALA A 159 ? 0.30228 0.32693 0.33231 0.07957  -0.01503 -0.03329 166 ALA A O   
1172 C CB  . ALA A 159 ? 0.28943 0.31852 0.31600 0.05731  -0.01572 -0.01421 166 ALA A CB  
1173 N N   . GLY A 160 ? 0.27710 0.33398 0.31056 0.08485  -0.01798 -0.02434 167 GLY A N   
1174 C CA  . GLY A 160 ? 0.28331 0.35523 0.31949 0.10242  -0.01885 -0.02946 167 GLY A CA  
1175 C C   . GLY A 160 ? 0.29420 0.39532 0.33822 0.09950  -0.01482 -0.03746 167 GLY A C   
1176 O O   . GLY A 160 ? 0.28838 0.40224 0.33356 0.11542  -0.01410 -0.04314 167 GLY A O   
1177 N N   . GLY A 161 ? 0.18469 0.29724 0.23376 0.08083  -0.01162 -0.03718 168 GLY A N   
1178 C CA  . GLY A 161 ? 0.19513 0.34002 0.25339 0.07622  -0.00654 -0.04035 168 GLY A CA  
1179 C C   . GLY A 161 ? 0.22202 0.35692 0.27388 0.07336  -0.00166 -0.04386 168 GLY A C   
1180 O O   . GLY A 161 ? 0.20323 0.36641 0.26112 0.07007  0.00419  -0.04386 168 GLY A O   
1181 N N   . SER A 162 ? 0.19446 0.29317 0.23503 0.07472  -0.00390 -0.04644 169 SER A N   
1182 C CA  . SER A 162 ? 0.17681 0.26918 0.20972 0.07539  -0.00129 -0.05227 169 SER A CA  
1183 C C   . SER A 162 ? 0.18630 0.24544 0.21323 0.06426  -0.00418 -0.05166 169 SER A C   
1184 O O   . SER A 162 ? 0.21597 0.25322 0.24371 0.06002  -0.00776 -0.04752 169 SER A O   
1185 C CB  . SER A 162 ? 0.24636 0.33510 0.27211 0.09661  -0.00290 -0.06280 169 SER A CB  
1186 O OG  . SER A 162 ? 0.26647 0.31712 0.28770 0.10311  -0.00972 -0.06551 169 SER A OG  
1187 N N   . PHE A 163 ? 0.18773 0.24744 0.20877 0.06045  -0.00216 -0.05489 170 PHE A N   
1188 C CA  . PHE A 163 ? 0.17679 0.21030 0.19312 0.05218  -0.00574 -0.05640 170 PHE A CA  
1189 C C   . PHE A 163 ? 0.20271 0.23593 0.20880 0.06085  -0.00720 -0.06711 170 PHE A C   
1190 O O   . PHE A 163 ? 0.24013 0.29713 0.24128 0.07101  -0.00310 -0.07063 170 PHE A O   
1191 C CB  . PHE A 163 ? 0.19850 0.23462 0.21789 0.03570  -0.00308 -0.04751 170 PHE A CB  
1192 C CG  . PHE A 163 ? 0.15534 0.21509 0.17334 0.03175  0.00304  -0.04333 170 PHE A CG  
1193 C CD1 . PHE A 163 ? 0.21569 0.29944 0.24269 0.02722  0.00798  -0.03676 170 PHE A CD1 
1194 C CD2 . PHE A 163 ? 0.20508 0.26388 0.21359 0.03201  0.00358  -0.04496 170 PHE A CD2 
1195 C CE1 . PHE A 163 ? 0.19803 0.30242 0.22644 0.02102  0.01483  -0.02969 170 PHE A CE1 
1196 C CE2 . PHE A 163 ? 0.21304 0.29282 0.21895 0.02887  0.01046  -0.03744 170 PHE A CE2 
1197 C CZ  . PHE A 163 ? 0.17931 0.28063 0.19608 0.02226  0.01682  -0.02861 170 PHE A CZ  
1198 N N   . THR A 164 ? 0.21399 0.22279 0.21722 0.05739  -0.01341 -0.07300 171 THR A N   
1199 C CA  . THR A 164 ? 0.21503 0.22319 0.20755 0.06567  -0.01738 -0.08593 171 THR A CA  
1200 C C   . THR A 164 ? 0.20742 0.21581 0.19736 0.05479  -0.01860 -0.08315 171 THR A C   
1201 O O   . THR A 164 ? 0.20705 0.20532 0.20536 0.04173  -0.01884 -0.07464 171 THR A O   
1202 C CB  . THR A 164 ? 0.25498 0.23391 0.24733 0.07356  -0.02686 -0.10019 171 THR A CB  
1203 O OG1 . THR A 164 ? 0.31372 0.26678 0.31701 0.05989  -0.03135 -0.09563 171 THR A OG1 
1204 C CG2 . THR A 164 ? 0.28599 0.26175 0.27865 0.08895  -0.02655 -0.10391 171 THR A CG2 
1205 N N   . VAL A 165 ? 0.23176 0.25455 0.20874 0.06249  -0.01911 -0.09012 172 VAL A N   
1206 C CA  . VAL A 165 ? 0.28150 0.30547 0.25341 0.05646  -0.02227 -0.08942 172 VAL A CA  
1207 C C   . VAL A 165 ? 0.30054 0.32205 0.26091 0.06798  -0.03166 -0.10844 172 VAL A C   
1208 O O   . VAL A 165 ? 0.28216 0.31672 0.23009 0.08348  -0.03063 -0.11796 172 VAL A O   
1209 C CB  . VAL A 165 ? 0.25273 0.30083 0.21779 0.05387  -0.01300 -0.07498 172 VAL A CB  
1210 C CG1 . VAL A 165 ? 0.29001 0.33929 0.24701 0.05186  -0.01727 -0.07430 172 VAL A CG1 
1211 C CG2 . VAL A 165 ? 0.22363 0.27184 0.20130 0.04138  -0.00583 -0.05927 172 VAL A CG2 
1212 N N   . ARG A 166 ? 0.27760 0.28499 0.24268 0.06103  -0.04133 -0.11522 173 ARG A N   
1213 C CA  . ARG A 166 ? 0.31233 0.31791 0.26815 0.06999  -0.05303 -0.13564 173 ARG A CA  
1214 C C   . ARG A 166 ? 0.31309 0.32396 0.27036 0.06231  -0.05955 -0.13509 173 ARG A C   
1215 O O   . ARG A 166 ? 0.28400 0.29067 0.25449 0.04886  -0.05680 -0.12159 173 ARG A O   
1216 C CB  . ARG A 166 ? 0.35786 0.33538 0.32647 0.06847  -0.06139 -0.14665 173 ARG A CB  
1217 C CG  . ARG A 166 ? 0.38667 0.34142 0.37731 0.05054  -0.06555 -0.14149 173 ARG A CG  
1218 C CD  . ARG A 166 ? 0.44855 0.37540 0.45118 0.04830  -0.06847 -0.14346 173 ARG A CD  
1219 N NE  . ARG A 166 ? 0.53706 0.45804 0.53896 0.05378  -0.06045 -0.13564 173 ARG A NE  
1220 C CZ  . ARG A 166 ? 0.68440 0.58487 0.69010 0.05845  -0.06115 -0.13627 173 ARG A CZ  
1221 N NH1 . ARG A 166 ? 0.60443 0.48444 0.61531 0.05679  -0.06899 -0.14447 173 ARG A NH1 
1222 N NH2 . ARG A 166 ? 0.60098 0.50201 0.60524 0.06580  -0.05413 -0.12883 173 ARG A NH2 
1223 N N   . THR A 167 ? 0.34699 0.37034 0.29158 0.07194  -0.06728 -0.14710 174 THR A N   
1224 C CA  . THR A 167 ? 0.33340 0.36189 0.28283 0.06577  -0.07618 -0.14912 174 THR A CA  
1225 C C   . THR A 167 ? 0.35722 0.36236 0.33321 0.05052  -0.08365 -0.15316 174 THR A C   
1226 O O   . THR A 167 ? 0.44870 0.43480 0.43319 0.04959  -0.08641 -0.16019 174 THR A O   
1227 C CB  . THR A 167 ? 0.47024 0.51711 0.40427 0.07922  -0.08257 -0.15908 174 THR A CB  
1228 O OG1 . THR A 167 ? 0.45985 0.53014 0.36981 0.09336  -0.07278 -0.15122 174 THR A OG1 
1229 C CG2 . THR A 167 ? 0.56526 0.62253 0.50351 0.07484  -0.09129 -0.15999 174 THR A CG2 
1230 N N   . ASP A 168 ? 0.34873 0.35648 0.33801 0.03881  -0.08607 -0.14685 175 ASP A N   
1231 C CA  . ASP A 168 ? 0.34350 0.33473 0.35953 0.02294  -0.09018 -0.14625 175 ASP A CA  
1232 C C   . ASP A 168 ? 0.48434 0.48384 0.50727 0.02130  -0.10173 -0.15759 175 ASP A C   
1233 O O   . ASP A 168 ? 0.47760 0.49928 0.49429 0.02544  -0.10576 -0.15808 175 ASP A O   
1234 C CB  . ASP A 168 ? 0.37006 0.36282 0.39994 0.01129  -0.08502 -0.13224 175 ASP A CB  
1235 C CG  . ASP A 168 ? 0.51928 0.49772 0.57619 -0.00470 -0.08553 -0.12756 175 ASP A CG  
1236 O OD1 . ASP A 168 ? 0.58495 0.54183 0.64759 -0.00774 -0.08383 -0.12778 175 ASP A OD1 
1237 O OD2 . ASP A 168 ? 0.43080 0.42125 0.50268 -0.01331 -0.08707 -0.12243 175 ASP A OD2 
1238 N N   . THR A 169 ? 0.57778 0.55929 0.61339 0.01557  -0.10733 -0.16630 176 THR A N   
1239 C CA  . THR A 169 ? 0.75949 0.74560 0.80553 0.01124  -0.11916 -0.17874 176 THR A CA  
1240 C C   . THR A 169 ? 0.68145 0.66200 0.75642 -0.00861 -0.12036 -0.17200 176 THR A C   
1241 O O   . THR A 169 ? 0.68865 0.67277 0.77670 -0.01554 -0.13019 -0.18179 176 THR A O   
1242 C CB  . THR A 169 ? 0.72484 0.69450 0.76570 0.01793  -0.12582 -0.19466 176 THR A CB  
1243 O OG1 . THR A 169 ? 0.80167 0.74449 0.84625 0.01527  -0.11904 -0.18876 176 THR A OG1 
1244 C CG2 . THR A 169 ? 0.60161 0.58897 0.61473 0.03905  -0.12720 -0.20401 176 THR A CG2 
1245 N N   . GLY A 170 ? 0.64386 0.61802 0.72920 -0.01767 -0.11040 -0.15552 177 GLY A N   
1246 C CA  . GLY A 170 ? 0.70043 0.67423 0.81233 -0.03535 -0.10888 -0.14600 177 GLY A CA  
1247 C C   . GLY A 170 ? 0.55174 0.55569 0.67257 -0.03805 -0.11369 -0.14586 177 GLY A C   
1248 O O   . GLY A 170 ? 0.48356 0.50664 0.59018 -0.02653 -0.12035 -0.15471 177 GLY A O   
1249 N N   . GLU A 171 ? 0.50957 0.51974 0.65424 -0.05250 -0.10986 -0.13464 178 GLU A N   
1250 C CA  . GLU A 171 ? 0.44490 0.48652 0.60234 -0.05528 -0.11360 -0.13274 178 GLU A CA  
1251 C C   . GLU A 171 ? 0.43276 0.49310 0.57154 -0.04007 -0.11188 -0.12977 178 GLU A C   
1252 O O   . GLU A 171 ? 0.34680 0.40026 0.47860 -0.03710 -0.10236 -0.11919 178 GLU A O   
1253 C CB  . GLU A 171 ? 0.53282 0.57976 0.71742 -0.07128 -0.10580 -0.11763 178 GLU A CB  
1254 C CG  . GLU A 171 ? 0.59629 0.67238 0.80384 -0.08018 -0.11244 -0.11931 178 GLU A CG  
1255 C CD  . GLU A 171 ? 0.50364 0.57304 0.72170 -0.08991 -0.12368 -0.13282 178 GLU A CD  
1256 O OE1 . GLU A 171 ? 0.59101 0.63459 0.81788 -0.10162 -0.12150 -0.13138 178 GLU A OE1 
1257 O OE2 . GLU A 171 ? 0.58621 0.67460 0.80101 -0.08391 -0.13541 -0.14585 178 GLU A OE2 
1258 N N   . PRO A 172 ? 0.44026 0.52308 0.56922 -0.02964 -0.12104 -0.13843 179 PRO A N   
1259 C CA  . PRO A 172 ? 0.38399 0.48441 0.49440 -0.01462 -0.11936 -0.13276 179 PRO A CA  
1260 C C   . PRO A 172 ? 0.41384 0.52640 0.54043 -0.01891 -0.11213 -0.11825 179 PRO A C   
1261 O O   . PRO A 172 ? 0.42544 0.55122 0.57817 -0.02977 -0.11228 -0.11484 179 PRO A O   
1262 C CB  . PRO A 172 ? 0.45049 0.57558 0.55472 -0.00537 -0.13092 -0.14241 179 PRO A CB  
1263 C CG  . PRO A 172 ? 0.54798 0.66097 0.65385 -0.00984 -0.13887 -0.15825 179 PRO A CG  
1264 C CD  . PRO A 172 ? 0.57939 0.66426 0.70271 -0.02611 -0.13298 -0.15547 179 PRO A CD  
1265 N N   . MET A 173 ? 0.31576 0.42474 0.42549 -0.00937 -0.10443 -0.10823 180 MET A N   
1266 C CA  . MET A 173 ? 0.24679 0.36080 0.36470 -0.00995 -0.09292 -0.09122 180 MET A CA  
1267 C C   . MET A 173 ? 0.39596 0.53041 0.50350 0.00515  -0.09398 -0.08455 180 MET A C   
1268 O O   . MET A 173 ? 0.38389 0.52417 0.49927 0.00681  -0.08610 -0.07316 180 MET A O   
1269 C CB  . MET A 173 ? 0.29203 0.38016 0.39624 -0.01010 -0.07799 -0.07843 180 MET A CB  
1270 C CG  . MET A 173 ? 0.58553 0.64948 0.68509 -0.01625 -0.07611 -0.08312 180 MET A CG  
1271 S SD  . MET A 173 ? 0.53868 0.58352 0.61706 -0.01066 -0.06083 -0.06809 180 MET A SD  
1272 C CE  . MET A 173 ? 0.37055 0.42416 0.46155 -0.01247 -0.05226 -0.05474 180 MET A CE  
1273 N N   . GLY A 174 ? 0.31932 0.46383 0.40748 0.01811  -0.10291 -0.09047 181 GLY A N   
1274 C CA  . GLY A 174 ? 0.27998 0.44108 0.35745 0.03406  -0.10372 -0.08151 181 GLY A CA  
1275 C C   . GLY A 174 ? 0.26422 0.40262 0.31524 0.04368  -0.09112 -0.06523 181 GLY A C   
1276 O O   . GLY A 174 ? 0.27985 0.41714 0.30510 0.05641  -0.09246 -0.06128 181 GLY A O   
1277 N N   . ARG A 175 ? 0.22348 0.34461 0.28122 0.03715  -0.07898 -0.05559 182 ARG A N   
1278 C CA  . ARG A 175 ? 0.18733 0.28421 0.22547 0.04218  -0.06754 -0.04197 182 ARG A CA  
1279 C C   . ARG A 175 ? 0.18665 0.26917 0.23733 0.03196  -0.05743 -0.03790 182 ARG A C   
1280 O O   . ARG A 175 ? 0.20106 0.29683 0.27161 0.02906  -0.05709 -0.03873 182 ARG A O   
1281 C CB  . ARG A 175 ? 0.22327 0.32323 0.24917 0.05857  -0.06765 -0.03111 182 ARG A CB  
1282 C CG  . ARG A 175 ? 0.23882 0.30978 0.24561 0.06186  -0.05705 -0.01714 182 ARG A CG  
1283 C CD  . ARG A 175 ? 0.21842 0.28342 0.21964 0.07598  -0.05570 -0.00622 182 ARG A CD  
1284 N NE  . ARG A 175 ? 0.21748 0.29082 0.23865 0.07592  -0.05479 -0.01005 182 ARG A NE  
1285 C CZ  . ARG A 175 ? 0.22753 0.32668 0.26058 0.08595  -0.06146 -0.01295 182 ARG A CZ  
1286 N NH1 . ARG A 175 ? 0.22306 0.34318 0.25093 0.09677  -0.07156 -0.01397 182 ARG A NH1 
1287 N NH2 . ARG A 175 ? 0.20158 0.31025 0.25263 0.08604  -0.05811 -0.01531 182 ARG A NH2 
1288 N N   . GLY A 176 ? 0.20862 0.30344 0.21643 -0.03554 -0.04787 0.06481  183 GLY A N   
1289 C CA  . GLY A 176 ? 0.17456 0.28068 0.22899 -0.03037 -0.03255 0.05549  183 GLY A CA  
1290 C C   . GLY A 176 ? 0.23205 0.30328 0.24792 -0.01600 -0.02266 0.03209  183 GLY A C   
1291 O O   . GLY A 176 ? 0.24633 0.28941 0.20905 -0.00298 -0.01682 0.02441  183 GLY A O   
1292 N N   . THR A 177 ? 0.16261 0.23467 0.20492 -0.01682 -0.01849 0.02316  184 THR A N   
1293 C CA  . THR A 177 ? 0.16417 0.21102 0.18430 -0.00327 -0.00865 0.00582  184 THR A CA  
1294 C C   . THR A 177 ? 0.25997 0.29035 0.27922 -0.01421 -0.01976 -0.00231 184 THR A C   
1295 O O   . THR A 177 ? 0.19190 0.24227 0.24933 -0.02557 -0.02350 0.00543  184 THR A O   
1296 C CB  . THR A 177 ? 0.17031 0.24369 0.23385 0.01250  0.01270  0.00709  184 THR A CB  
1297 O OG1 . THR A 177 ? 0.21407 0.30127 0.27992 0.02507  0.02528  0.01731  184 THR A OG1 
1298 C CG2 . THR A 177 ? 0.22768 0.28207 0.28089 0.02463  0.02010  -0.00466 184 THR A CG2 
1299 N N   . LYS A 178 ? 0.21389 0.20539 0.18916 -0.00887 -0.02191 -0.01583 185 LYS A N   
1300 C CA  . LYS A 178 ? 0.23077 0.20421 0.20396 -0.01628 -0.03024 -0.02262 185 LYS A CA  
1301 C C   . LYS A 178 ? 0.24478 0.21056 0.21788 0.00186  -0.01411 -0.03129 185 LYS A C   
1302 O O   . LYS A 178 ? 0.28765 0.22899 0.22796 0.01697  -0.00382 -0.03673 185 LYS A O   
1303 C CB  . LYS A 178 ? 0.33904 0.26873 0.26172 -0.02955 -0.05129 -0.02792 185 LYS A CB  
1304 C CG  . LYS A 178 ? 0.46750 0.37264 0.38494 -0.03706 -0.06050 -0.03344 185 LYS A CG  
1305 C CD  . LYS A 178 ? 0.47814 0.34412 0.35668 -0.05797 -0.08874 -0.03438 185 LYS A CD  
1306 C CE  . LYS A 178 ? 0.60725 0.43882 0.42254 -0.05628 -0.09473 -0.04235 185 LYS A CE  
1307 N NZ  . LYS A 178 ? 0.81085 0.61063 0.59766 -0.07773 -0.12281 -0.03958 185 LYS A NZ  
1308 N N   . VAL A 179 ? 0.21135 0.19625 0.21931 0.00121  -0.01106 -0.03012 186 VAL A N   
1309 C CA  . VAL A 179 ? 0.17958 0.16068 0.19238 0.01479  -0.00169 -0.03384 186 VAL A CA  
1310 C C   . VAL A 179 ? 0.22306 0.18051 0.22111 0.00861  -0.01034 -0.03777 186 VAL A C   
1311 O O   . VAL A 179 ? 0.23376 0.20139 0.24827 -0.00294 -0.01719 -0.03426 186 VAL A O   
1312 C CB  . VAL A 179 ? 0.19091 0.20565 0.24613 0.01698  0.00373  -0.02939 186 VAL A CB  
1313 C CG1 . VAL A 179 ? 0.20147 0.21354 0.26370 0.02689  0.00617  -0.02891 186 VAL A CG1 
1314 C CG2 . VAL A 179 ? 0.18443 0.22218 0.26146 0.02344  0.01287  -0.02339 186 VAL A CG2 
1315 N N   . ILE A 180 ? 0.23877 0.16286 0.20683 0.01817  -0.00669 -0.04309 187 ILE A N   
1316 C CA  . ILE A 180 ? 0.26505 0.16253 0.21994 0.01395  -0.01335 -0.04572 187 ILE A CA  
1317 C C   . ILE A 180 ? 0.24987 0.15770 0.22522 0.02727  -0.00386 -0.04080 187 ILE A C   
1318 O O   . ILE A 180 ? 0.26871 0.16814 0.24062 0.04465  0.00993  -0.03882 187 ILE A O   
1319 C CB  . ILE A 180 ? 0.30963 0.15463 0.21458 0.01477  -0.01590 -0.05506 187 ILE A CB  
1320 C CG1 . ILE A 180 ? 0.32364 0.15865 0.20365 -0.00021 -0.03041 -0.05786 187 ILE A CG1 
1321 C CG2 . ILE A 180 ? 0.34387 0.16143 0.24285 0.00829  -0.02389 -0.05618 187 ILE A CG2 
1322 C CD1 . ILE A 180 ? 0.47940 0.25352 0.29459 0.00019  -0.03467 -0.07023 187 ILE A CD1 
1323 N N   . LEU A 181 ? 0.21152 0.13605 0.20727 0.01992  -0.01052 -0.03585 188 LEU A N   
1324 C CA  . LEU A 181 ? 0.21659 0.15221 0.22963 0.02892  -0.00755 -0.02844 188 LEU A CA  
1325 C C   . LEU A 181 ? 0.27946 0.18636 0.27900 0.03093  -0.00830 -0.02648 188 LEU A C   
1326 O O   . LEU A 181 ? 0.29114 0.19187 0.28751 0.01950  -0.01649 -0.02539 188 LEU A O   
1327 C CB  . LEU A 181 ? 0.19570 0.15939 0.22715 0.02052  -0.01443 -0.02462 188 LEU A CB  
1328 C CG  . LEU A 181 ? 0.22003 0.20674 0.26561 0.01609  -0.01361 -0.02745 188 LEU A CG  
1329 C CD1 . LEU A 181 ? 0.22855 0.22722 0.27796 0.00787  -0.01828 -0.02680 188 LEU A CD1 
1330 C CD2 . LEU A 181 ? 0.23118 0.23144 0.29546 0.02749  -0.00841 -0.02344 188 LEU A CD2 
1331 N N   . HIS A 182 ? 0.26737 0.15752 0.26446 0.04685  0.00277  -0.02271 189 HIS A N   
1332 C CA  . HIS A 182 ? 0.29260 0.15589 0.28362 0.05163  0.00523  -0.01806 189 HIS A CA  
1333 C C   . HIS A 182 ? 0.28891 0.18360 0.31014 0.05349  0.00042  -0.00226 189 HIS A C   
1334 O O   . HIS A 182 ? 0.27243 0.18542 0.31728 0.06544  0.00579  0.00999  189 HIS A O   
1335 C CB  . HIS A 182 ? 0.33120 0.15766 0.30455 0.07052  0.02409  -0.01944 189 HIS A CB  
1336 C CG  . HIS A 182 ? 0.39127 0.18405 0.32276 0.06934  0.02779  -0.03568 189 HIS A CG  
1337 N ND1 . HIS A 182 ? 0.49759 0.23607 0.38532 0.06212  0.02321  -0.04908 189 HIS A ND1 
1338 C CD2 . HIS A 182 ? 0.41125 0.21627 0.33564 0.07183  0.03201  -0.03979 189 HIS A CD2 
1339 C CE1 . HIS A 182 ? 0.47630 0.20321 0.33185 0.05815  0.02255  -0.05935 189 HIS A CE1 
1340 N NE2 . HIS A 182 ? 0.49622 0.25482 0.36836 0.06734  0.03043  -0.05482 189 HIS A NE2 
1341 N N   . LEU A 183 ? 0.26968 0.17157 0.29069 0.04133  -0.01051 0.00036  190 LEU A N   
1342 C CA  . LEU A 183 ? 0.27073 0.20180 0.30709 0.03992  -0.01863 0.01295  190 LEU A CA  
1343 C C   . LEU A 183 ? 0.31532 0.24511 0.36717 0.05122  -0.01628 0.03052  190 LEU A C   
1344 O O   . LEU A 183 ? 0.31322 0.21480 0.36164 0.05755  -0.00774 0.03284  190 LEU A O   
1345 C CB  . LEU A 183 ? 0.26477 0.19887 0.28959 0.02728  -0.02529 0.01266  190 LEU A CB  
1346 C CG  . LEU A 183 ? 0.25173 0.19401 0.26989 0.01685  -0.02600 0.00184  190 LEU A CG  
1347 C CD1 . LEU A 183 ? 0.26894 0.21169 0.27965 0.00934  -0.02573 0.00811  190 LEU A CD1 
1348 C CD2 . LEU A 183 ? 0.30167 0.26643 0.32558 0.01702  -0.02911 -0.00202 190 LEU A CD2 
1349 N N   . LYS A 184 ? 0.27283 0.23206 0.34305 0.05244  -0.02576 0.04457  191 LYS A N   
1350 C CA  . LYS A 184 ? 0.30152 0.26849 0.39166 0.06036  -0.02833 0.06761  191 LYS A CA  
1351 C C   . LYS A 184 ? 0.31656 0.27335 0.39031 0.05496  -0.03188 0.07244  191 LYS A C   
1352 O O   . LYS A 184 ? 0.33468 0.28892 0.38469 0.04390  -0.03606 0.06219  191 LYS A O   
1353 C CB  . LYS A 184 ? 0.29034 0.29249 0.40097 0.05664  -0.04638 0.08326  191 LYS A CB  
1354 C CG  . LYS A 184 ? 0.31046 0.32923 0.44973 0.06156  -0.04426 0.08533  191 LYS A CG  
1355 C CD  . LYS A 184 ? 0.31456 0.36608 0.47407 0.05121  -0.07036 0.10106  191 LYS A CD  
1356 C CE  . LYS A 184 ? 0.35793 0.42509 0.53625 0.04705  -0.07440 0.09517  191 LYS A CE  
1357 N NZ  . LYS A 184 ? 0.38765 0.48345 0.59461 0.03572  -0.10151 0.11491  191 LYS A NZ  
1358 N N   . GLU A 185 ? 0.35458 0.30579 0.44563 0.06474  -0.02701 0.09161  192 GLU A N   
1359 C CA  . GLU A 185 ? 0.40640 0.34469 0.48729 0.06176  -0.02640 0.09835  192 GLU A CA  
1360 C C   . GLU A 185 ? 0.40192 0.36102 0.46251 0.05184  -0.04114 0.10522  192 GLU A C   
1361 O O   . GLU A 185 ? 0.42772 0.37668 0.47271 0.04754  -0.03783 0.10608  192 GLU A O   
1362 C CB  . GLU A 185 ? 0.44786 0.37693 0.55561 0.07545  -0.01701 0.12039  192 GLU A CB  
1363 C CG  . GLU A 185 ? 0.65095 0.61441 0.78608 0.08122  -0.02742 0.14848  192 GLU A CG  
1364 C CD  . GLU A 185 ? 0.91107 0.87101 1.07177 0.09168  -0.01782 0.17189  192 GLU A CD  
1365 O OE1 . GLU A 185 ? 0.97037 0.89720 1.12631 0.09505  -0.00305 0.16543  192 GLU A OE1 
1366 O OE2 . GLU A 185 ? 0.91938 0.91045 1.10200 0.09183  -0.02579 0.19197  192 GLU A OE2 
1367 N N   . ASP A 186 ? 0.37314 0.35744 0.43117 0.04793  -0.05723 0.11107  193 ASP A N   
1368 C CA  . ASP A 186 ? 0.38188 0.37508 0.40519 0.03865  -0.07169 0.11499  193 ASP A CA  
1369 C C   . ASP A 186 ? 0.38973 0.37736 0.38046 0.02847  -0.07282 0.09126  193 ASP A C   
1370 O O   . ASP A 186 ? 0.34366 0.33033 0.29575 0.02159  -0.08285 0.09067  193 ASP A O   
1371 C CB  . ASP A 186 ? 0.38937 0.40650 0.42038 0.03663  -0.09458 0.13705  193 ASP A CB  
1372 C CG  . ASP A 186 ? 0.44380 0.47858 0.50242 0.03384  -0.10616 0.13541  193 ASP A CG  
1373 O OD1 . ASP A 186 ? 0.52847 0.55703 0.60148 0.03717  -0.09243 0.11829  193 ASP A OD1 
1374 O OD2 . ASP A 186 ? 0.58973 0.64581 0.65788 0.02766  -0.13084 0.15460  193 ASP A OD2 
1375 N N   . GLN A 187 ? 0.30735 0.28721 0.30852 0.02805  -0.06145 0.07261  194 GLN A N   
1376 C CA  . GLN A 187 ? 0.28133 0.25793 0.26149 0.01989  -0.05974 0.05299  194 GLN A CA  
1377 C C   . GLN A 187 ? 0.28405 0.24537 0.26038 0.01871  -0.04297 0.04496  194 GLN A C   
1378 O O   . GLN A 187 ? 0.30683 0.26668 0.28200 0.01406  -0.03745 0.03085  194 GLN A O   
1379 C CB  . GLN A 187 ? 0.28956 0.27735 0.29131 0.01885  -0.06408 0.04297  194 GLN A CB  
1380 C CG  . GLN A 187 ? 0.28424 0.29160 0.30135 0.01771  -0.08389 0.05678  194 GLN A CG  
1381 C CD  . GLN A 187 ? 0.33601 0.34200 0.31456 0.00637  -0.10325 0.05742  194 GLN A CD  
1382 O OE1 . GLN A 187 ? 0.38146 0.37188 0.32384 0.00014  -0.09874 0.04082  194 GLN A OE1 
1383 N NE2 . GLN A 187 ? 0.35732 0.37646 0.34107 0.00374  -0.12473 0.07763  194 GLN A NE2 
1384 N N   . THR A 188 ? 0.35748 0.30920 0.33735 0.02197  -0.03593 0.05744  195 THR A N   
1385 C CA  . THR A 188 ? 0.39381 0.33329 0.38118 0.01829  -0.02429 0.05529  195 THR A CA  
1386 C C   . THR A 188 ? 0.37972 0.31934 0.34650 0.01564  -0.01441 0.05722  195 THR A C   
1387 O O   . THR A 188 ? 0.35899 0.29415 0.34074 0.01184  -0.00472 0.06015  195 THR A O   
1388 C CB  . THR A 188 ? 0.40132 0.32804 0.40677 0.02120  -0.02088 0.07017  195 THR A CB  
1389 O OG1 . THR A 188 ? 0.42048 0.35260 0.41441 0.02663  -0.01969 0.08944  195 THR A OG1 
1390 C CG2 . THR A 188 ? 0.38306 0.29883 0.40596 0.02613  -0.02405 0.06658  195 THR A CG2 
1391 N N   . GLU A 189 ? 0.33328 0.27477 0.26528 0.01735  -0.01650 0.05687  196 GLU A N   
1392 C CA  . GLU A 189 ? 0.33382 0.26658 0.23800 0.01783  -0.00138 0.05556  196 GLU A CA  
1393 C C   . GLU A 189 ? 0.33163 0.26657 0.25225 0.01276  0.00586  0.04185  196 GLU A C   
1394 O O   . GLU A 189 ? 0.34593 0.27504 0.26354 0.01463  0.02477  0.04694  196 GLU A O   
1395 C CB  . GLU A 189 ? 0.37685 0.30035 0.22774 0.01865  -0.00851 0.05138  196 GLU A CB  
1396 C CG  . GLU A 189 ? 0.39355 0.31963 0.23631 0.01098  -0.02508 0.03207  196 GLU A CG  
1397 C CD  . GLU A 189 ? 0.49773 0.41093 0.28716 0.00741  -0.04192 0.03040  196 GLU A CD  
1398 O OE1 . GLU A 189 ? 0.50134 0.42478 0.29192 0.00675  -0.06096 0.04366  196 GLU A OE1 
1399 O OE2 . GLU A 189 ? 0.49886 0.38815 0.24224 0.00503  -0.03640 0.01732  196 GLU A OE2 
1400 N N   . TYR A 190 ? 0.28699 0.23106 0.22701 0.00810  -0.00626 0.02815  197 TYR A N   
1401 C CA  . TYR A 190 ? 0.29283 0.24139 0.24813 0.00350  -0.00050 0.01712  197 TYR A CA  
1402 C C   . TYR A 190 ? 0.30077 0.25164 0.28973 -0.00066 0.00338  0.02379  197 TYR A C   
1403 O O   . TYR A 190 ? 0.30789 0.26526 0.31314 -0.00550 0.00461  0.01745  197 TYR A O   
1404 C CB  . TYR A 190 ? 0.28890 0.24676 0.25003 0.00121  -0.01382 0.00260  197 TYR A CB  
1405 C CG  . TYR A 190 ? 0.29473 0.24900 0.22537 0.00051  -0.02392 -0.00195 197 TYR A CG  
1406 C CD1 . TYR A 190 ? 0.31484 0.25446 0.21325 -0.00140 -0.01606 -0.00962 197 TYR A CD1 
1407 C CD2 . TYR A 190 ? 0.29082 0.25209 0.22238 0.00126  -0.04180 0.00362  197 TYR A CD2 
1408 C CE1 . TYR A 190 ? 0.36321 0.29014 0.22326 -0.00532 -0.02984 -0.01574 197 TYR A CE1 
1409 C CE2 . TYR A 190 ? 0.30771 0.26490 0.21063 -0.00354 -0.05792 0.00222  197 TYR A CE2 
1410 C CZ  . TYR A 190 ? 0.32651 0.26364 0.18899 -0.00822 -0.05403 -0.00944 197 TYR A CZ  
1411 O OH  . TYR A 190 ? 0.40097 0.32473 0.22427 -0.01605 -0.07448 -0.01304 197 TYR A OH  
1412 N N   . LEU A 191 ? 0.27726 0.22194 0.27739 -0.00040 0.00260  0.03761  198 LEU A N   
1413 C CA  . LEU A 191 ? 0.26901 0.21146 0.29997 -0.00802 0.00335  0.04858  198 LEU A CA  
1414 C C   . LEU A 191 ? 0.33672 0.28186 0.37971 -0.00636 0.02035  0.07055  198 LEU A C   
1415 O O   . LEU A 191 ? 0.34614 0.29362 0.42438 -0.01465 0.01928  0.08571  198 LEU A O   
1416 C CB  . LEU A 191 ? 0.28515 0.21339 0.32642 -0.01064 -0.00858 0.05178  198 LEU A CB  
1417 C CG  . LEU A 191 ? 0.27633 0.19718 0.30575 -0.00738 -0.01858 0.03449  198 LEU A CG  
1418 C CD1 . LEU A 191 ? 0.39134 0.28954 0.42599 -0.00675 -0.02458 0.03830  198 LEU A CD1 
1419 C CD2 . LEU A 191 ? 0.35464 0.27671 0.38679 -0.01393 -0.02319 0.02096  198 LEU A CD2 
1420 N N   . GLU A 192 ? 0.28306 0.22539 0.29680 0.00409  0.03539  0.07511  199 GLU A N   
1421 C CA  . GLU A 192 ? 0.28918 0.22992 0.30878 0.01107  0.05873  0.09953  199 GLU A CA  
1422 C C   . GLU A 192 ? 0.33341 0.27773 0.35980 0.01306  0.07846  0.10168  199 GLU A C   
1423 O O   . GLU A 192 ? 0.34593 0.28493 0.34257 0.01509  0.08057  0.08153  199 GLU A O   
1424 C CB  . GLU A 192 ? 0.35901 0.28758 0.33091 0.02344  0.06808  0.10335  199 GLU A CB  
1425 C CG  . GLU A 192 ? 0.43683 0.36483 0.41008 0.02399  0.05368  0.11054  199 GLU A CG  
1426 C CD  . GLU A 192 ? 0.82194 0.75325 0.84243 0.02178  0.05795  0.13692  199 GLU A CD  
1427 O OE1 . GLU A 192 ? 0.84459 0.77910 0.88585 0.02557  0.07901  0.15919  199 GLU A OE1 
1428 O OE2 . GLU A 192 ? 0.91708 0.84594 0.95647 0.01679  0.04148  0.13767  199 GLU A OE2 
1429 N N   . GLU A 193 ? 0.27081 0.28762 0.39388 -0.05023 -0.03742 0.02937  200 GLU A N   
1430 C CA  . GLU A 193 ? 0.25391 0.29569 0.36745 -0.05079 -0.04050 0.02942  200 GLU A CA  
1431 C C   . GLU A 193 ? 0.21786 0.27497 0.30924 -0.03674 -0.02757 0.04208  200 GLU A C   
1432 O O   . GLU A 193 ? 0.22388 0.28775 0.29208 -0.03067 -0.02675 0.03340  200 GLU A O   
1433 C CB  . GLU A 193 ? 0.26369 0.32047 0.41548 -0.06456 -0.04488 0.04202  200 GLU A CB  
1434 C CG  . GLU A 193 ? 0.27151 0.35817 0.42281 -0.06434 -0.04705 0.04714  200 GLU A CG  
1435 C CD  . GLU A 193 ? 0.59052 0.70111 0.78536 -0.07800 -0.05160 0.06687  200 GLU A CD  
1436 O OE1 . GLU A 193 ? 0.37455 0.47789 0.60067 -0.08694 -0.05119 0.07862  200 GLU A OE1 
1437 O OE2 . GLU A 193 ? 0.54920 0.68903 0.75252 -0.08008 -0.05557 0.07444  200 GLU A OE2 
1438 N N   . ARG A 194 ? 0.28771 0.35108 0.38620 -0.03222 -0.01637 0.06252  201 ARG A N   
1439 C CA  . ARG A 194 ? 0.23640 0.31519 0.30753 -0.02181 -0.00323 0.06963  201 ARG A CA  
1440 C C   . ARG A 194 ? 0.28621 0.35694 0.31770 -0.01668 -0.00542 0.05424  201 ARG A C   
1441 O O   . ARG A 194 ? 0.28185 0.35661 0.28672 -0.01196 0.00138  0.04630  201 ARG A O   
1442 C CB  . ARG A 194 ? 0.27326 0.36864 0.35638 -0.01877 0.00899  0.09643  201 ARG A CB  
1443 C CG  . ARG A 194 ? 0.39108 0.48708 0.46517 -0.01646 0.00919  0.10612  201 ARG A CG  
1444 C CD  . ARG A 194 ? 0.42556 0.54566 0.52225 -0.01416 0.02082  0.13927  201 ARG A CD  
1445 N NE  . ARG A 194 ? 0.59757 0.72057 0.70968 -0.01330 0.01998  0.15869  201 ARG A NE  
1446 C CZ  . ARG A 194 ? 0.44659 0.60013 0.57032 -0.00921 0.03020  0.19262  201 ARG A CZ  
1447 N NH1 . ARG A 194 ? 0.53911 0.72011 0.65957 -0.00571 0.04250  0.20832  201 ARG A NH1 
1448 N NH2 . ARG A 194 ? 0.60671 0.76733 0.74793 -0.00700 0.03001  0.21472  201 ARG A NH2 
1449 N N   . ARG A 195 ? 0.24252 0.30052 0.27355 -0.01778 -0.01359 0.05018  202 ARG A N   
1450 C CA  . ARG A 195 ? 0.26288 0.31848 0.26280 -0.01404 -0.01719 0.04057  202 ARG A CA  
1451 C C   . ARG A 195 ? 0.25492 0.30310 0.24290 -0.01353 -0.02359 0.02004  202 ARG A C   
1452 O O   . ARG A 195 ? 0.25528 0.30595 0.21899 -0.01142 -0.02227 0.01268  202 ARG A O   
1453 C CB  . ARG A 195 ? 0.26300 0.31084 0.27423 -0.01239 -0.02067 0.04842  202 ARG A CB  
1454 C CG  . ARG A 195 ? 0.24044 0.29252 0.22737 -0.00897 -0.02517 0.04595  202 ARG A CG  
1455 C CD  . ARG A 195 ? 0.29312 0.36980 0.25459 -0.01125 -0.02244 0.05805  202 ARG A CD  
1456 N NE  . ARG A 195 ? 0.29116 0.37790 0.23839 -0.01151 -0.02951 0.06280  202 ARG A NE  
1457 C CZ  . ARG A 195 ? 0.32383 0.41730 0.24065 -0.01704 -0.03515 0.05126  202 ARG A CZ  
1458 N NH1 . ARG A 195 ? 0.30881 0.39641 0.20405 -0.02115 -0.03123 0.03292  202 ARG A NH1 
1459 N NH2 . ARG A 195 ? 0.29418 0.39973 0.20666 -0.01859 -0.04355 0.05973  202 ARG A NH2 
1460 N N   . ILE A 196 ? 0.23283 0.27410 0.23853 -0.01700 -0.03073 0.01128  203 ILE A N   
1461 C CA  . ILE A 196 ? 0.23782 0.28195 0.23503 -0.01600 -0.03681 -0.00230 203 ILE A CA  
1462 C C   . ILE A 196 ? 0.24114 0.29729 0.23783 -0.01339 -0.02895 0.00150  203 ILE A C   
1463 O O   . ILE A 196 ? 0.23219 0.28907 0.21643 -0.00890 -0.02720 -0.00412 203 ILE A O   
1464 C CB  . ILE A 196 ? 0.23158 0.27419 0.24359 -0.02317 -0.04684 -0.01226 203 ILE A CB  
1465 C CG1 . ILE A 196 ? 0.22340 0.24539 0.23503 -0.02331 -0.04914 -0.02098 203 ILE A CG1 
1466 C CG2 . ILE A 196 ? 0.23746 0.29620 0.24233 -0.02179 -0.05278 -0.01919 203 ILE A CG2 
1467 C CD1 . ILE A 196 ? 0.28677 0.29958 0.31285 -0.03526 -0.05661 -0.03543 203 ILE A CD1 
1468 N N   . LYS A 197 ? 0.22125 0.28625 0.23664 -0.01520 -0.02167 0.01333  204 LYS A N   
1469 C CA  . LYS A 197 ? 0.21681 0.29162 0.23652 -0.00927 -0.00837 0.01943  204 LYS A CA  
1470 C C   . LYS A 197 ? 0.24866 0.31252 0.23817 -0.00317 0.00380  0.01181  204 LYS A C   
1471 O O   . LYS A 197 ? 0.27036 0.33030 0.25724 0.00210  0.01251  0.00637  204 LYS A O   
1472 C CB  . LYS A 197 ? 0.26305 0.35142 0.30809 -0.00993 0.00107  0.03768  204 LYS A CB  
1473 C CG  . LYS A 197 ? 0.34709 0.45107 0.42756 -0.01999 -0.01092 0.04685  204 LYS A CG  
1474 C CD  . LYS A 197 ? 0.31962 0.44363 0.43038 -0.01797 0.00214  0.07088  204 LYS A CD  
1475 C CE  . LYS A 197 ? 0.53504 0.66382 0.67484 -0.03080 -0.00706 0.08258  204 LYS A CE  
1476 N NZ  . LYS A 197 ? 0.58257 0.74048 0.76600 -0.03499 -0.00353 0.10885  204 LYS A NZ  
1477 N N   . GLU A 198 ? 0.22425 0.28477 0.19307 -0.00523 0.00478  0.01244  205 GLU A N   
1478 C CA  . GLU A 198 ? 0.27850 0.33317 0.21243 -0.00492 0.01299  0.00277  205 GLU A CA  
1479 C C   . GLU A 198 ? 0.28722 0.33064 0.20867 -0.00691 0.00446  -0.01170 205 GLU A C   
1480 O O   . GLU A 198 ? 0.27895 0.31123 0.18554 -0.00678 0.01375  -0.02412 205 GLU A O   
1481 C CB  . GLU A 198 ? 0.24601 0.31130 0.16271 -0.00919 0.01042  0.01200  205 GLU A CB  
1482 C CG  . GLU A 198 ? 0.32978 0.39649 0.20486 -0.01450 0.01322  0.00096  205 GLU A CG  
1483 C CD  . GLU A 198 ? 0.33999 0.42935 0.20225 -0.01967 0.00714  0.01738  205 GLU A CD  
1484 O OE1 . GLU A 198 ? 0.32674 0.41957 0.21176 -0.01918 -0.00437 0.03107  205 GLU A OE1 
1485 O OE2 . GLU A 198 ? 0.32884 0.43410 0.15946 -0.02370 0.01516  0.01762  205 GLU A OE2 
1486 N N   . ILE A 199 ? 0.24822 0.29291 0.17787 -0.00852 -0.01121 -0.01019 206 ILE A N   
1487 C CA  . ILE A 199 ? 0.23322 0.27292 0.15528 -0.00933 -0.01933 -0.01846 206 ILE A CA  
1488 C C   . ILE A 199 ? 0.25759 0.29495 0.19637 -0.00448 -0.01455 -0.02197 206 ILE A C   
1489 O O   . ILE A 199 ? 0.27387 0.30292 0.20795 -0.00510 -0.01177 -0.02880 206 ILE A O   
1490 C CB  . ILE A 199 ? 0.22011 0.26377 0.14887 -0.00852 -0.03254 -0.01371 206 ILE A CB  
1491 C CG1 . ILE A 199 ? 0.27721 0.32591 0.19731 -0.01151 -0.03436 -0.00349 206 ILE A CG1 
1492 C CG2 . ILE A 199 ? 0.28145 0.32586 0.20808 -0.00691 -0.03971 -0.01750 206 ILE A CG2 
1493 C CD1 . ILE A 199 ? 0.30187 0.34859 0.23776 -0.00736 -0.04033 0.00300  206 ILE A CD1 
1494 N N   . VAL A 200 ? 0.23874 0.28652 0.20158 -0.00101 -0.01452 -0.01457 207 VAL A N   
1495 C CA  . VAL A 200 ? 0.20371 0.25967 0.18858 0.00434  -0.01004 -0.00985 207 VAL A CA  
1496 C C   . VAL A 200 ? 0.24715 0.28988 0.23472 0.00904  0.01081  -0.01166 207 VAL A C   
1497 O O   . VAL A 200 ? 0.26146 0.29715 0.25950 0.01285  0.01782  -0.01276 207 VAL A O   
1498 C CB  . VAL A 200 ? 0.19830 0.27678 0.20802 0.00356  -0.01618 0.00128  207 VAL A CB  
1499 C CG1 . VAL A 200 ? 0.21500 0.31150 0.25357 0.00999  -0.00856 0.01489  207 VAL A CG1 
1500 C CG2 . VAL A 200 ? 0.19716 0.28252 0.19970 -0.00163 -0.03451 -0.00463 207 VAL A CG2 
1501 N N   . LYS A 201 ? 0.23948 0.27671 0.21809 0.00943  0.02347  -0.01229 208 LYS A N   
1502 C CA  . LYS A 201 ? 0.25765 0.27871 0.23487 0.01571  0.04844  -0.01767 208 LYS A CA  
1503 C C   . LYS A 201 ? 0.30777 0.30307 0.25408 0.00931  0.05171  -0.03967 208 LYS A C   
1504 O O   . LYS A 201 ? 0.36546 0.33934 0.31819 0.01327  0.07011  -0.04883 208 LYS A O   
1505 C CB  . LYS A 201 ? 0.29017 0.31655 0.26118 0.01853  0.06215  -0.01196 208 LYS A CB  
1506 C CG  . LYS A 201 ? 0.36471 0.37243 0.32692 0.02694  0.09290  -0.02082 208 LYS A CG  
1507 C CD  . LYS A 201 ? 0.47391 0.49254 0.42419 0.03045  0.10657  -0.01360 208 LYS A CD  
1508 C CE  . LYS A 201 ? 0.52066 0.51918 0.45718 0.04101  0.14177  -0.02556 208 LYS A CE  
1509 N NZ  . LYS A 201 ? 0.64700 0.66450 0.57991 0.04850  0.15846  -0.01110 208 LYS A NZ  
1510 N N   . LYS A 202 ? 0.30347 0.30107 0.22070 -0.00159 0.03424  -0.04684 209 LYS A N   
1511 C CA  . LYS A 202 ? 0.37750 0.35798 0.26379 -0.01301 0.03275  -0.06623 209 LYS A CA  
1512 C C   . LYS A 202 ? 0.34191 0.31351 0.24665 -0.01507 0.02539  -0.06824 209 LYS A C   
1513 O O   . LYS A 202 ? 0.35808 0.30522 0.25630 -0.02165 0.03449  -0.08505 209 LYS A O   
1514 C CB  . LYS A 202 ? 0.36470 0.36171 0.22201 -0.02380 0.01517  -0.06403 209 LYS A CB  
1515 C CG  . LYS A 202 ? 0.40076 0.39157 0.22626 -0.04034 0.00729  -0.07983 209 LYS A CG  
1516 C CD  . LYS A 202 ? 0.53843 0.55563 0.33710 -0.04949 -0.00551 -0.07061 209 LYS A CD  
1517 C CE  . LYS A 202 ? 0.67232 0.69254 0.45556 -0.06393 -0.01894 -0.07601 209 LYS A CE  
1518 N NZ  . LYS A 202 ? 0.68362 0.73444 0.46714 -0.06532 -0.03220 -0.05318 209 LYS A NZ  
1519 N N   . HIS A 203 ? 0.31679 0.30772 0.24465 -0.01021 0.01007  -0.05188 210 HIS A N   
1520 C CA  . HIS A 203 ? 0.35864 0.35084 0.30113 -0.01220 -0.00000 -0.04849 210 HIS A CA  
1521 C C   . HIS A 203 ? 0.31963 0.32234 0.30265 -0.00018 0.00505  -0.03291 210 HIS A C   
1522 O O   . HIS A 203 ? 0.32392 0.32779 0.32493 -0.00036 0.00145  -0.02725 210 HIS A O   
1523 C CB  . HIS A 203 ? 0.33241 0.34421 0.26485 -0.01565 -0.02116 -0.04029 210 HIS A CB  
1524 C CG  . HIS A 203 ? 0.38364 0.39526 0.28392 -0.02841 -0.02891 -0.04704 210 HIS A CG  
1525 N ND1 . HIS A 203 ? 0.42724 0.42851 0.31125 -0.04329 -0.03165 -0.05890 210 HIS A ND1 
1526 C CD2 . HIS A 203 ? 0.42162 0.44649 0.30604 -0.02989 -0.03504 -0.04069 210 HIS A CD2 
1527 C CE1 . HIS A 203 ? 0.49116 0.50560 0.34702 -0.05415 -0.04089 -0.05848 210 HIS A CE1 
1528 N NE2 . HIS A 203 ? 0.48302 0.51230 0.34136 -0.04448 -0.04179 -0.04509 210 HIS A NE2 
1529 N N   . SER A 204 ? 0.38458 0.34430 0.23685 -0.07690 -0.08546 -0.08637 211 SER A N   
1530 C CA  . SER A 204 ? 0.34429 0.28078 0.21496 -0.07220 -0.07547 -0.08564 211 SER A CA  
1531 C C   . SER A 204 ? 0.36801 0.27585 0.21673 -0.05684 -0.05713 -0.09998 211 SER A C   
1532 O O   . SER A 204 ? 0.40274 0.30813 0.27229 -0.04159 -0.04420 -0.09217 211 SER A O   
1533 C CB  . SER A 204 ? 0.34007 0.30303 0.24472 -0.06392 -0.07346 -0.06291 211 SER A CB  
1534 O OG  . SER A 204 ? 0.38293 0.37286 0.31032 -0.07300 -0.08805 -0.05049 211 SER A OG  
1535 N N   . GLN A 205 ? 0.44200 0.33598 0.25631 -0.05670 -0.05454 -0.12008 212 GLN A N   
1536 C CA  . GLN A 205 ? 0.58470 0.45750 0.37847 -0.03785 -0.03503 -0.13458 212 GLN A CA  
1537 C C   . GLN A 205 ? 0.57699 0.40874 0.38566 -0.02804 -0.02570 -0.14075 212 GLN A C   
1538 O O   . GLN A 205 ? 0.63791 0.46220 0.44616 -0.00512 -0.00851 -0.14298 212 GLN A O   
1539 C CB  . GLN A 205 ? 0.61576 0.49063 0.37741 -0.03609 -0.03388 -0.15444 212 GLN A CB  
1540 C CG  . GLN A 205 ? 0.65218 0.51210 0.41350 -0.05187 -0.04890 -0.16865 212 GLN A CG  
1541 C CD  . GLN A 205 ? 0.88640 0.78113 0.64437 -0.06732 -0.06895 -0.15854 212 GLN A CD  
1542 O OE1 . GLN A 205 ? 0.62976 0.53816 0.41688 -0.07993 -0.08123 -0.14371 212 GLN A OE1 
1543 N NE2 . GLN A 205 ? 0.92355 0.83381 0.64622 -0.06430 -0.07182 -0.16604 212 GLN A NE2 
1544 N N   . PHE A 206 ? 0.49847 0.31063 0.32612 -0.04300 -0.03551 -0.13934 213 PHE A N   
1545 C CA  . PHE A 206 ? 0.51861 0.28782 0.35876 -0.03503 -0.02654 -0.14099 213 PHE A CA  
1546 C C   . PHE A 206 ? 0.46559 0.23641 0.33539 -0.03678 -0.02917 -0.11783 213 PHE A C   
1547 O O   . PHE A 206 ? 0.63789 0.37550 0.52018 -0.03989 -0.02711 -0.11321 213 PHE A O   
1548 C CB  . PHE A 206 ? 0.58711 0.32795 0.42575 -0.05047 -0.03225 -0.15750 213 PHE A CB  
1549 C CG  . PHE A 206 ? 0.70979 0.44650 0.51958 -0.04527 -0.02939 -0.18371 213 PHE A CG  
1550 C CD1 . PHE A 206 ? 0.73258 0.48910 0.52900 -0.06322 -0.04488 -0.19596 213 PHE A CD1 
1551 C CD2 . PHE A 206 ? 0.66777 0.38894 0.46474 -0.01979 -0.01137 -0.19506 213 PHE A CD2 
1552 C CE1 . PHE A 206 ? 0.80891 0.56346 0.57440 -0.05695 -0.04344 -0.22107 213 PHE A CE1 
1553 C CE2 . PHE A 206 ? 0.78597 0.50860 0.55674 -0.01427 -0.00762 -0.22072 213 PHE A CE2 
1554 C CZ  . PHE A 206 ? 0.74843 0.48621 0.50068 -0.03288 -0.02421 -0.23441 213 PHE A CZ  
1555 N N   . ILE A 207 ? 0.36583 0.18664 0.25671 -0.03391 -0.03176 -0.09937 214 ILE A N   
1556 C CA  . ILE A 207 ? 0.32555 0.16502 0.25075 -0.02993 -0.03050 -0.07727 214 ILE A CA  
1557 C C   . ILE A 207 ? 0.45780 0.29319 0.38863 -0.00279 -0.01494 -0.07184 214 ILE A C   
1558 O O   . ILE A 207 ? 0.40058 0.25466 0.32437 0.01308  -0.00644 -0.07628 214 ILE A O   
1559 C CB  . ILE A 207 ? 0.27849 0.16837 0.22295 -0.03524 -0.03822 -0.06382 214 ILE A CB  
1560 C CG1 . ILE A 207 ? 0.32944 0.22856 0.27388 -0.05889 -0.05503 -0.06553 214 ILE A CG1 
1561 C CG2 . ILE A 207 ? 0.29511 0.20760 0.27091 -0.02837 -0.03473 -0.04581 214 ILE A CG2 
1562 C CD1 . ILE A 207 ? 0.37937 0.26470 0.34097 -0.07567 -0.06053 -0.06113 214 ILE A CD1 
1563 N N   . GLY A 208 ? 0.36819 0.18378 0.31275 0.00244  -0.01119 -0.06003 215 GLY A N   
1564 C CA  . GLY A 208 ? 0.33940 0.14588 0.28674 0.03033  0.00183  -0.05411 215 GLY A CA  
1565 C C   . GLY A 208 ? 0.34644 0.20446 0.31740 0.04421  0.00465  -0.03706 215 GLY A C   
1566 O O   . GLY A 208 ? 0.35990 0.21781 0.34007 0.06284  0.01084  -0.02392 215 GLY A O   
1567 N N   . TYR A 209 ? 0.28414 0.18538 0.26392 0.03549  -0.00029 -0.03735 216 TYR A N   
1568 C CA  . TYR A 209 ? 0.29037 0.24022 0.29159 0.04324  0.00106  -0.02694 216 TYR A CA  
1569 C C   . TYR A 209 ? 0.28135 0.25923 0.28091 0.04135  0.00260  -0.03537 216 TYR A C   
1570 O O   . TYR A 209 ? 0.29073 0.25751 0.27526 0.02875  -0.00145 -0.04354 216 TYR A O   
1571 C CB  . TYR A 209 ? 0.25514 0.22428 0.27408 0.02884  -0.00697 -0.01580 216 TYR A CB  
1572 C CG  . TYR A 209 ? 0.24307 0.18869 0.26387 0.02802  -0.00655 -0.00342 216 TYR A CG  
1573 C CD1 . TYR A 209 ? 0.24330 0.19998 0.27059 0.04560  -0.00088 0.01069  216 TYR A CD1 
1574 C CD2 . TYR A 209 ? 0.28636 0.20126 0.30269 0.00838  -0.01209 -0.00380 216 TYR A CD2 
1575 C CE1 . TYR A 209 ? 0.29509 0.22734 0.32182 0.04503  0.00095  0.02692  216 TYR A CE1 
1576 C CE2 . TYR A 209 ? 0.27217 0.16298 0.29133 0.00405  -0.00999 0.01012  216 TYR A CE2 
1577 C CZ  . TYR A 209 ? 0.25332 0.15037 0.27658 0.02312  -0.00260 0.02717  216 TYR A CZ  
1578 O OH  . TYR A 209 ? 0.31551 0.18669 0.33945 0.01958  0.00083  0.04571  216 TYR A OH  
1579 N N   . PRO A 210 ? 0.24305 0.25970 0.25751 0.05169  0.00795  -0.03248 217 PRO A N   
1580 C CA  . PRO A 210 ? 0.22303 0.26543 0.23847 0.04576  0.01088  -0.03768 217 PRO A CA  
1581 C C   . PRO A 210 ? 0.26670 0.31476 0.28884 0.02646  0.00167  -0.03444 217 PRO A C   
1582 O O   . PRO A 210 ? 0.27108 0.32936 0.30979 0.02221  -0.00402 -0.02895 217 PRO A O   
1583 C CB  . PRO A 210 ? 0.26326 0.34868 0.29898 0.05807  0.01744  -0.03506 217 PRO A CB  
1584 C CG  . PRO A 210 ? 0.30422 0.39270 0.34988 0.06945  0.01460  -0.02646 217 PRO A CG  
1585 C CD  . PRO A 210 ? 0.26732 0.30726 0.29753 0.06841  0.01132  -0.02340 217 PRO A CD  
1586 N N   . ILE A 211 ? 0.23681 0.27879 0.24448 0.01696  0.00081  -0.03720 218 ILE A N   
1587 C CA  . ILE A 211 ? 0.19309 0.23838 0.20611 0.00265  -0.00754 -0.03138 218 ILE A CA  
1588 C C   . ILE A 211 ? 0.22685 0.29248 0.24450 -0.00073 -0.00025 -0.02880 218 ILE A C   
1589 O O   . ILE A 211 ? 0.26499 0.33200 0.26423 -0.00014 0.00715  -0.03062 218 ILE A O   
1590 C CB  . ILE A 211 ? 0.21091 0.23467 0.20234 -0.00650 -0.01663 -0.03221 218 ILE A CB  
1591 C CG1 . ILE A 211 ? 0.21422 0.21732 0.20425 -0.00837 -0.02340 -0.03545 218 ILE A CG1 
1592 C CG2 . ILE A 211 ? 0.22638 0.25829 0.22563 -0.01619 -0.02509 -0.02219 218 ILE A CG2 
1593 C CD1 . ILE A 211 ? 0.25059 0.23444 0.21631 -0.01949 -0.03266 -0.04176 218 ILE A CD1 
1594 N N   . THR A 212 ? 0.17952 0.26100 0.22101 -0.00536 -0.00102 -0.02564 219 THR A N   
1595 C CA  . THR A 212 ? 0.14963 0.24853 0.20083 -0.01286 0.00654  -0.02338 219 THR A CA  
1596 C C   . THR A 212 ? 0.15863 0.24168 0.21219 -0.02394 0.00065  -0.01425 219 THR A C   
1597 O O   . THR A 212 ? 0.18015 0.25621 0.24819 -0.02414 -0.00696 -0.01432 219 THR A O   
1598 C CB  . THR A 212 ? 0.18351 0.31084 0.26038 -0.01196 0.00995  -0.02950 219 THR A CB  
1599 O OG1 . THR A 212 ? 0.19172 0.33755 0.26757 0.00248  0.01493  -0.03405 219 THR A OG1 
1600 C CG2 . THR A 212 ? 0.20106 0.34361 0.29086 -0.02639 0.01715  -0.02785 219 THR A CG2 
1601 N N   . LEU A 213 ? 0.19884 0.27686 0.23691 -0.03083 0.00475  -0.00504 220 LEU A N   
1602 C CA  . LEU A 213 ? 0.20432 0.26520 0.24347 -0.03898 -0.00005 0.00885  220 LEU A CA  
1603 C C   . LEU A 213 ? 0.17575 0.24133 0.23606 -0.05051 0.00891  0.01132  220 LEU A C   
1604 O O   . LEU A 213 ? 0.19920 0.27988 0.25520 -0.05836 0.02049  0.01477  220 LEU A O   
1605 C CB  . LEU A 213 ? 0.22772 0.28195 0.23480 -0.04091 -0.00098 0.02075  220 LEU A CB  
1606 C CG  . LEU A 213 ? 0.26546 0.30386 0.26895 -0.04719 -0.00507 0.04186  220 LEU A CG  
1607 C CD1 . LEU A 213 ? 0.24494 0.26793 0.26911 -0.04158 -0.01791 0.04494  220 LEU A CD1 
1608 C CD2 . LEU A 213 ? 0.30297 0.34292 0.26768 -0.04756 -0.00827 0.05344  220 LEU A CD2 
1609 N N   . PHE A 214 ? 0.18680 0.24044 0.27037 -0.05256 0.00441  0.00804  221 PHE A N   
1610 C CA  . PHE A 214 ? 0.20580 0.25691 0.31050 -0.06693 0.01181  0.00640  221 PHE A CA  
1611 C C   . PHE A 214 ? 0.19806 0.22390 0.29433 -0.07721 0.01578  0.02820  221 PHE A C   
1612 O O   . PHE A 214 ? 0.25012 0.25597 0.33082 -0.06953 0.00836  0.04376  221 PHE A O   
1613 C CB  . PHE A 214 ? 0.17280 0.21177 0.30080 -0.06517 0.00638  -0.00653 221 PHE A CB  
1614 C CG  . PHE A 214 ? 0.14951 0.21819 0.28801 -0.05940 0.00465  -0.02681 221 PHE A CG  
1615 C CD1 . PHE A 214 ? 0.13771 0.22915 0.26369 -0.04795 0.00307  -0.02868 221 PHE A CD1 
1616 C CD2 . PHE A 214 ? 0.20452 0.27308 0.35909 -0.06293 0.00402  -0.04248 221 PHE A CD2 
1617 C CE1 . PHE A 214 ? 0.16115 0.27129 0.28690 -0.03838 0.00094  -0.03886 221 PHE A CE1 
1618 C CE2 . PHE A 214 ? 0.20843 0.29955 0.35489 -0.05192 0.00143  -0.05371 221 PHE A CE2 
1619 C CZ  . PHE A 214 ? 0.17216 0.28125 0.30330 -0.03950 -0.00003 -0.04876 221 PHE A CZ  
1620 N N   . VAL A 215 ? 0.19959 0.22850 0.30741 -0.09567 0.02706  0.03127  222 VAL A N   
1621 C CA  . VAL A 215 ? 0.25873 0.25927 0.36023 -0.10799 0.03273  0.05588  222 VAL A CA  
1622 C C   . VAL A 215 ? 0.31816 0.28233 0.44679 -0.11850 0.03286  0.05226  222 VAL A C   
1623 O O   . VAL A 215 ? 0.30780 0.27793 0.45865 -0.12011 0.03058  0.02740  222 VAL A O   
1624 C CB  . VAL A 215 ? 0.45882 0.48528 0.55166 -0.12457 0.04817  0.06707  222 VAL A CB  
1625 C CG1 . VAL A 215 ? 0.43096 0.47956 0.48776 -0.11150 0.04876  0.07446  222 VAL A CG1 
1626 C CG2 . VAL A 215 ? 0.32014 0.38313 0.43904 -0.13765 0.05637  0.04727  222 VAL A CG2 
1627 N N   . GLU A 216 ? 0.33011 0.25408 0.45442 -0.12427 0.03531  0.07732  223 GLU A N   
1628 C CA  . GLU A 216 ? 0.44206 0.31987 0.58168 -0.13039 0.03613  0.07398  223 GLU A CA  
1629 C C   . GLU A 216 ? 0.43318 0.29843 0.56679 -0.15553 0.04836  0.08349  223 GLU A C   
1630 O O   . GLU A 216 ? 0.48641 0.36424 0.60258 -0.16387 0.05817  0.10538  223 GLU A O   
1631 C CB  . GLU A 216 ? 0.41677 0.25210 0.55037 -0.10963 0.02720  0.09351  223 GLU A CB  
1632 C CG  . GLU A 216 ? 0.39848 0.25046 0.53305 -0.08512 0.01347  0.08722  223 GLU A CG  
1633 C CD  . GLU A 216 ? 0.60461 0.42499 0.73529 -0.06403 0.00375  0.11094  223 GLU A CD  
1634 O OE1 . GLU A 216 ? 0.45344 0.23747 0.59851 -0.05520 0.00408  0.10520  223 GLU A OE1 
1635 O OE2 . GLU A 216 ? 0.46764 0.30945 0.57421 -0.05287 -0.00503 0.12854  223 GLU A OE2 
1636 N N   . LYS A 217 ? 0.57326 0.41402 0.72022 -0.16749 0.04729  0.06703  224 LYS A N   
1637 C CA  . LYS A 217 ? 0.62413 0.43209 0.76614 -0.19105 0.05477  0.08068  224 LYS A CA  
1638 C C   . LYS A 217 ? 0.71695 0.49303 0.87628 -0.20021 0.04926  0.05908  224 LYS A C   
1639 O O   . LYS A 217 ? 0.87513 0.64817 1.04581 -0.18373 0.04191  0.03441  224 LYS A O   
1640 C CB  . LYS A 217 ? 0.85193 0.70504 0.99108 -0.21759 0.06446  0.08789  224 LYS A CB  
1641 C CG  . LYS A 217 ? 0.76176 0.57916 0.89067 -0.24149 0.07461  0.10855  224 LYS A CG  
1642 C CD  . LYS A 217 ? 0.78753 0.64876 0.94561 -0.26763 0.07070  0.10581  224 LYS A CD  
1643 C CE  . LYS A 217 ? 0.89665 0.73405 1.03282 -0.29157 0.08643  0.12920  224 LYS A CE  
1644 N NZ  . LYS A 217 ? 0.84413 0.76297 1.07925 -0.28135 0.09666  0.14961  224 LYS A NZ  
# 
