data_7HB6
# 
_entry.id   7HB6 
# 
_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   7HB6         pdb_00007hb6 10.2210/pdb7hb6/pdb 
WWPDB D_1001407253 ?            ?                   
# 
_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                        7HB6 
_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 '5-fluoranyl-1~{H}-indole-2,3-dione' 165.121   1  ?        ? ? ? 
3 water       nat water                                18.015    74 ?        ? ? ? 
# 
_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 '5-fluoranyl-1~{H}-indole-2,3-dione' 72R 
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 
72R non-polymer         . '5-fluoranyl-1~{H}-indole-2,3-dione' ? 'C8 H4 F N O2'   165.121 
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        72R 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   72R 
_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 72R 1  301 301 72R AV8 A . 
C 3 HOH 1  401 65  HOH HOH A . 
C 3 HOH 2  402 64  HOH HOH A . 
C 3 HOH 3  403 66  HOH HOH A . 
C 3 HOH 4  404 9   HOH HOH A . 
C 3 HOH 5  405 39  HOH HOH A . 
C 3 HOH 6  406 26  HOH HOH A . 
C 3 HOH 7  407 40  HOH HOH A . 
C 3 HOH 8  408 68  HOH HOH A . 
C 3 HOH 9  409 15  HOH HOH A . 
C 3 HOH 10 410 21  HOH HOH A . 
C 3 HOH 11 411 52  HOH HOH A . 
C 3 HOH 12 412 23  HOH HOH A . 
C 3 HOH 13 413 20  HOH HOH A . 
C 3 HOH 14 414 41  HOH HOH A . 
C 3 HOH 15 415 25  HOH HOH A . 
C 3 HOH 16 416 24  HOH HOH A . 
C 3 HOH 17 417 11  HOH HOH A . 
C 3 HOH 18 418 8   HOH HOH A . 
C 3 HOH 19 419 43  HOH HOH A . 
C 3 HOH 20 420 10  HOH HOH A . 
C 3 HOH 21 421 1   HOH HOH A . 
C 3 HOH 22 422 3   HOH HOH A . 
C 3 HOH 23 423 33  HOH HOH A . 
C 3 HOH 24 424 32  HOH HOH A . 
C 3 HOH 25 425 54  HOH HOH A . 
C 3 HOH 26 426 14  HOH HOH A . 
C 3 HOH 27 427 44  HOH HOH A . 
C 3 HOH 28 428 2   HOH HOH A . 
C 3 HOH 29 429 17  HOH HOH A . 
C 3 HOH 30 430 53  HOH HOH A . 
C 3 HOH 31 431 4   HOH HOH A . 
C 3 HOH 32 432 69  HOH HOH A . 
C 3 HOH 33 433 37  HOH HOH A . 
C 3 HOH 34 434 13  HOH HOH A . 
C 3 HOH 35 435 47  HOH HOH A . 
C 3 HOH 36 436 16  HOH HOH A . 
C 3 HOH 37 437 12  HOH HOH A . 
C 3 HOH 38 438 6   HOH HOH A . 
C 3 HOH 39 439 5   HOH HOH A . 
C 3 HOH 40 440 72  HOH HOH A . 
C 3 HOH 41 441 42  HOH HOH A . 
C 3 HOH 42 442 22  HOH HOH A . 
C 3 HOH 43 443 30  HOH HOH A . 
C 3 HOH 44 444 48  HOH HOH A . 
C 3 HOH 45 445 74  HOH HOH A . 
C 3 HOH 46 446 19  HOH HOH A . 
C 3 HOH 47 447 50  HOH HOH A . 
C 3 HOH 48 448 63  HOH HOH A . 
C 3 HOH 49 449 59  HOH HOH A . 
C 3 HOH 50 450 45  HOH HOH A . 
C 3 HOH 51 451 67  HOH HOH A . 
C 3 HOH 52 452 29  HOH HOH A . 
C 3 HOH 53 453 57  HOH HOH A . 
C 3 HOH 54 454 36  HOH HOH A . 
C 3 HOH 55 455 27  HOH HOH A . 
C 3 HOH 56 456 56  HOH HOH A . 
C 3 HOH 57 457 28  HOH HOH A . 
C 3 HOH 58 458 7   HOH HOH A . 
C 3 HOH 59 459 58  HOH HOH A . 
C 3 HOH 60 460 49  HOH HOH A . 
C 3 HOH 61 461 51  HOH HOH A . 
C 3 HOH 62 462 73  HOH HOH A . 
C 3 HOH 63 463 18  HOH HOH A . 
C 3 HOH 64 464 70  HOH HOH A . 
C 3 HOH 65 465 38  HOH HOH A . 
C 3 HOH 66 466 62  HOH HOH A . 
C 3 HOH 67 467 46  HOH HOH A . 
C 3 HOH 68 468 34  HOH HOH A . 
C 3 HOH 69 469 61  HOH HOH A . 
C 3 HOH 70 470 55  HOH HOH A . 
C 3 HOH 71 471 35  HOH HOH A . 
C 3 HOH 72 472 60  HOH HOH A . 
C 3 HOH 73 473 71  HOH HOH A . 
C 3 HOH 74 474 31  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             598803.554 
_cell.length_a           66.430 
_cell.length_b           90.840 
_cell.length_c           99.230 
_cell.angle_beta         90.000 
_cell.angle_gamma        90.000 
_cell.angle_alpha        90.000 
_cell.entry_id           7HB6 
_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                         7HB6 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
# 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
_exptl.entry_id          7HB6 
# 
_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 EIGER X 16M' 
_diffrn_detector.pdbx_collection_date   2023-07-19 
_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   BL10U2 
_diffrn_source.type                        'SSRF BEAMLINE BL10U2' 
_diffrn_source.pdbx_wavelength_list        0.97918 
_diffrn_source.pdbx_synchrotron_site       SSRF 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7HB6 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             33.500 
_reflns.d_resolution_high            2.090 
_reflns.number_obs                   17832 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         98.300 
_reflns.pdbx_Rmerge_I_obs            0.159 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        13.800 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              11.000 
_reflns.pdbx_Rrim_I_all              0.167 
_reflns.pdbx_Rpim_I_all              0.051 
_reflns.pdbx_CC_half                 0.994 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     195432 
_reflns.pdbx_scaling_rejects         3570 
_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 2.090 2.140  ? 8754 1321 ? 2.745 ? ? ? 6.600 ? 0.700  ? ? ? ? ? ? 99.600 2.987 1.146 0.305 
1 2 9.350 33.500 ? 2094 228  ? 0.042 ? ? ? 9.200 ? 37.000 ? ? ? ? ? ? 96.800 0.044 0.014 0.998 
# 
_refine.entry_id                                 7HB6 
_refine.pdbx_method_to_determine_struct          'FOURIER SYNTHESIS' 
_refine.ls_percent_reflns_R_free                 4.67 
_refine.pdbx_overall_phase_error                 38.7171 
_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                          0.2276 
_refine.B_iso_mean                               55.25 
_refine.ls_number_reflns_R_free                  816 
_refine.ls_percent_reflns_obs                    96.37 
_refine.ls_R_factor_R_work                       0.2265 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.ls_d_res_high                            2.09 
_refine.ls_number_reflns_obs                     17487 
_refine.pdbx_ls_sigma_F                          1.34 
_refine.ls_number_reflns_R_work                  16671 
_refine.ls_d_res_low                             33.50 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.ls_R_factor_R_free                       0.2500 
_refine.overall_SU_ML                            0.5366 
_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         12 
_refine_hist.number_atoms_solvent             74 
_refine_hist.number_atoms_total               1730 
_refine_hist.d_res_high                       2.09 
_refine_hist.d_res_low                        33.50 
# 
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           1683 0.0023 ? ? ? 
'X-RAY DIFFRACTION' f_angle_d          2270 0.4800 ? ? ? 
'X-RAY DIFFRACTION' f_chiral_restr     259  0.0416 ? ? ? 
'X-RAY DIFFRACTION' f_plane_restr      290  0.0025 ? ? ? 
'X-RAY DIFFRACTION' f_dihedral_angle_d 226  4.6633 ? ? ? 
# 
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' 2.09 2.22  2676 0.5461 95.27 0.5923 161 . . . . . 
'X-RAY DIFFRACTION' 2.22 2.39  2411 0.3664 85.00 0.3937 110 . . . . . 
'X-RAY DIFFRACTION' 2.39 2.63  2843 0.2725 99.80 0.3069 135 . . . . . 
'X-RAY DIFFRACTION' 2.63 3.01  2858 0.2423 99.17 0.2669 146 . . . . . 
'X-RAY DIFFRACTION' 3.01 3.80  2879 0.2146 99.17 0.2449 121 . . . . . 
'X-RAY DIFFRACTION' 3.80 33.50 3004 0.1678 99.49 0.1741 143 . . . . . 
# 
_struct.entry_id                  7HB6 
_struct.title                     'PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr13755' 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_details        ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HB6 
_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              7HB6 
_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 7HB6 MET A 1   ? UNP P07900 ? ? 'initiating methionine' 8   1 
1 7HB6 LEU A 230 ? UNP P07900 ? ? 'expression tag'        237 2 
1 7HB6 GLU A 231 ? UNP P07900 ? ? 'expression tag'        238 3 
1 7HB6 HIS A 232 ? UNP P07900 ? ? 'expression tag'        239 4 
1 7HB6 HIS A 233 ? UNP P07900 ? ? 'expression tag'        240 5 
1 7HB6 HIS A 234 ? UNP P07900 ? ? 'expression tag'        241 6 
1 7HB6 HIS A 235 ? UNP P07900 ? ? 'expression tag'        242 7 
1 7HB6 HIS A 236 ? UNP P07900 ? ? 'expression tag'        243 8 
1 7HB6 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  ? ASP A 59  ? GLU A 42  ASP A 66  1 ? 25 
HELX_P HELX_P3  AA3 PRO A 60  ? ASP A 64  ? PRO A 67  ASP A 71  5 ? 5  
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 GLU A 11  ? ALA A 14  ? GLU A 18  ALA A 21  
AA1 2 SER A 162 ? THR A 167 ? SER A 169 THR A 174 
AA1 3 GLN A 152 ? SER A 157 ? GLN A 159 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 VAL A 179 ? O VAL A 186 N ILE A 84  ? N ILE A 91  
AA1 6 7 O VAL A 85  ? O VAL A 92  N ASN A 72  ? N ASN A 79  
AA1 7 8 N LEU A 73  ? N LEU A 80  O THR A 212 ? O THR A 219 
# 
_pdbx_entry_details.entry_id                   7HB6 
_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 O A GLU 16  ? ? O A HOH 401 ? ? 2.02 
2 1 O A HOH 463 ? ? O A HOH 471 ? ? 2.06 
3 1 O A HOH 456 ? ? O A HOH 470 ? ? 2.15 
4 1 O A HOH 409 ? ? O A HOH 448 ? ? 2.17 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    OH 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    TYR 
_pdbx_validate_symm_contact.auth_seq_id_1     61 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    OD1 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    ASP 
_pdbx_validate_symm_contact.auth_seq_id_2     102 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   2_555 
_pdbx_validate_symm_contact.dist              2.16 
# 
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 THR A 94  ? ? -102.26 43.05   
2 1 ALA A 124 ? ? -107.61 41.01   
3 1 SER A 165 ? ? -98.66  31.66   
4 1 ALA A 166 ? ? 62.42   -142.87 
5 1 SER A 211 ? ? -146.33 40.42   
# 
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 12.5112696654  -17.9900770763 -18.6959577963 0.443676628904 0.560632108541 0.463715514053 
0.0542191936066   -0.0262663120846 -0.0405595830587 3.22032902363 1.41742889397 3.34076180996 -0.958445429051 -2.02413389071  
0.339675865492 0.0524773575742 -0.485480159817 0.0236721781963  0.074769839129   -0.0812046340064 -0.0383559639136 
-0.0502665266696 0.578395862126 0.0489548061954  
2 ? 'X-RAY DIFFRACTION' refined -5.57915154223 -11.3047051158 -24.4599220765 0.399987137863 0.411838506147 0.425281715561 
0.017721959548    -0.0225175199733 0.0500989247259  2.93998838504 2.65408098058 3.81597010941 -0.22511769986  -0.222887090397 
0.141525802858 0.0914384834357 0.284805088233  0.245684499955   -0.259477799524  -0.0544572463495 0.151964420612   -0.114772891098 
0.100430599683 -0.037340836196  
3 ? 'X-RAY DIFFRACTION' refined 4.19892311772  -15.5937608636 -22.6556645502 0.322033611261 0.316901213287 0.380181023981 
-0.00208632101831 0.0355651646701  0.0150863647946  6.14835205897 2.85997306925 4.91336192718 -0.529619418242 -1.34191156022  
0.349525624167 0.171696243209  0.0783289866079 0.129220167879   -0.0551898888264 0.0414872381873  -0.0875202026607 
-0.0686713607497 0.270310319059 -0.124514726557  
4 ? 'X-RAY DIFFRACTION' refined -9.35996561269 -17.1746592036 -9.82753512303 0.422551113654 0.520751385368 0.351092670999 
-0.0181038089574  0.0293798347125  -0.0206244885884 4.37126887354 1.71727276956 3.84492922208 -0.28029492438  -0.613453856068 
0.107802110627 0.0847597495943 -0.60809841312  -0.0883074665948 0.461080129583   -0.118847063092  0.155848157328   0.0707387167741 
0.132802649868 -0.0196234905571 
# 
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 110 A 95  . 
;chain 'A' and (resid 41 through 110 )
;
3 3 'X-RAY DIFFRACTION' A 111 A 96  A 190 A 175 . 
;chain 'A' and (resid 111 through 190 )
;
4 4 'X-RAY DIFFRACTION' A 191 A 176 A 224 A 209 . 
;chain 'A' and (resid 191 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 
72R O11  O N N 1   
72R C8   C N N 2   
72R N7   N N N 3   
72R C6   C Y N 4   
72R C5   C Y N 5   
72R C4   C Y N 6   
72R C3   C Y N 7   
72R F10  F N N 8   
72R C2   C Y N 9   
72R C1   C Y N 10  
72R C9   C N N 11  
72R O12  O N N 12  
72R H1   H N N 13  
72R H2   H N N 14  
72R H3   H N N 15  
72R H4   H N N 16  
ALA N    N N N 17  
ALA CA   C N S 18  
ALA C    C N N 19  
ALA O    O N N 20  
ALA CB   C N N 21  
ALA OXT  O N N 22  
ALA H    H N N 23  
ALA H2   H N N 24  
ALA HA   H N N 25  
ALA HB1  H N N 26  
ALA HB2  H N N 27  
ALA HB3  H N N 28  
ALA HXT  H N N 29  
ARG N    N N N 30  
ARG CA   C N S 31  
ARG C    C N N 32  
ARG O    O N N 33  
ARG CB   C N N 34  
ARG CG   C N N 35  
ARG CD   C N N 36  
ARG NE   N N N 37  
ARG CZ   C N N 38  
ARG NH1  N N N 39  
ARG NH2  N N N 40  
ARG OXT  O N N 41  
ARG H    H N N 42  
ARG H2   H N N 43  
ARG HA   H N N 44  
ARG HB2  H N N 45  
ARG HB3  H N N 46  
ARG HG2  H N N 47  
ARG HG3  H N N 48  
ARG HD2  H N N 49  
ARG HD3  H N N 50  
ARG HE   H N N 51  
ARG HH11 H N N 52  
ARG HH12 H N N 53  
ARG HH21 H N N 54  
ARG HH22 H N N 55  
ARG HXT  H N N 56  
ASN N    N N N 57  
ASN CA   C N S 58  
ASN C    C N N 59  
ASN O    O N N 60  
ASN CB   C N N 61  
ASN CG   C N N 62  
ASN OD1  O N N 63  
ASN ND2  N N N 64  
ASN OXT  O N N 65  
ASN H    H N N 66  
ASN H2   H N N 67  
ASN HA   H N N 68  
ASN HB2  H N N 69  
ASN HB3  H N N 70  
ASN HD21 H N N 71  
ASN HD22 H N N 72  
ASN HXT  H N N 73  
ASP N    N N N 74  
ASP CA   C N S 75  
ASP C    C N N 76  
ASP O    O N N 77  
ASP CB   C N N 78  
ASP CG   C N N 79  
ASP OD1  O N N 80  
ASP OD2  O N N 81  
ASP OXT  O N N 82  
ASP H    H N N 83  
ASP H2   H N N 84  
ASP HA   H N N 85  
ASP HB2  H N N 86  
ASP HB3  H N N 87  
ASP HD2  H N N 88  
ASP HXT  H N N 89  
GLN N    N N N 90  
GLN CA   C N S 91  
GLN C    C N N 92  
GLN O    O N N 93  
GLN CB   C N N 94  
GLN CG   C N N 95  
GLN CD   C N N 96  
GLN OE1  O N N 97  
GLN NE2  N N N 98  
GLN OXT  O N N 99  
GLN H    H N N 100 
GLN H2   H N N 101 
GLN HA   H N N 102 
GLN HB2  H N N 103 
GLN HB3  H N N 104 
GLN HG2  H N N 105 
GLN HG3  H N N 106 
GLN HE21 H N N 107 
GLN HE22 H N N 108 
GLN HXT  H N N 109 
GLU N    N N N 110 
GLU CA   C N S 111 
GLU C    C N N 112 
GLU O    O N N 113 
GLU CB   C N N 114 
GLU CG   C N N 115 
GLU CD   C N N 116 
GLU OE1  O N N 117 
GLU OE2  O N N 118 
GLU OXT  O N N 119 
GLU H    H N N 120 
GLU H2   H N N 121 
GLU HA   H N N 122 
GLU HB2  H N N 123 
GLU HB3  H N N 124 
GLU HG2  H N N 125 
GLU HG3  H N N 126 
GLU HE2  H N N 127 
GLU HXT  H N N 128 
GLY N    N N N 129 
GLY CA   C N N 130 
GLY C    C N N 131 
GLY O    O N N 132 
GLY OXT  O N N 133 
GLY H    H N N 134 
GLY H2   H N N 135 
GLY HA2  H N N 136 
GLY HA3  H N N 137 
GLY HXT  H N N 138 
HIS N    N N N 139 
HIS CA   C N S 140 
HIS C    C N N 141 
HIS O    O N N 142 
HIS CB   C N N 143 
HIS CG   C Y N 144 
HIS ND1  N Y N 145 
HIS CD2  C Y N 146 
HIS CE1  C Y N 147 
HIS NE2  N Y N 148 
HIS OXT  O N N 149 
HIS H    H N N 150 
HIS H2   H N N 151 
HIS HA   H N N 152 
HIS HB2  H N N 153 
HIS HB3  H N N 154 
HIS HD1  H N N 155 
HIS HD2  H N N 156 
HIS HE1  H N N 157 
HIS HE2  H N N 158 
HIS HXT  H N N 159 
HOH O    O N N 160 
HOH H1   H N N 161 
HOH H2   H N N 162 
ILE N    N N N 163 
ILE CA   C N S 164 
ILE C    C N N 165 
ILE O    O N N 166 
ILE CB   C N S 167 
ILE CG1  C N N 168 
ILE CG2  C N N 169 
ILE CD1  C N N 170 
ILE OXT  O N N 171 
ILE H    H N N 172 
ILE H2   H N N 173 
ILE HA   H N N 174 
ILE HB   H N N 175 
ILE HG12 H N N 176 
ILE HG13 H N N 177 
ILE HG21 H N N 178 
ILE HG22 H N N 179 
ILE HG23 H N N 180 
ILE HD11 H N N 181 
ILE HD12 H N N 182 
ILE HD13 H N N 183 
ILE HXT  H N N 184 
LEU N    N N N 185 
LEU CA   C N S 186 
LEU C    C N N 187 
LEU O    O N N 188 
LEU CB   C N N 189 
LEU CG   C N N 190 
LEU CD1  C N N 191 
LEU CD2  C N N 192 
LEU OXT  O N N 193 
LEU H    H N N 194 
LEU H2   H N N 195 
LEU HA   H N N 196 
LEU HB2  H N N 197 
LEU HB3  H N N 198 
LEU HG   H N N 199 
LEU HD11 H N N 200 
LEU HD12 H N N 201 
LEU HD13 H N N 202 
LEU HD21 H N N 203 
LEU HD22 H N N 204 
LEU HD23 H N N 205 
LEU HXT  H N N 206 
LYS N    N N N 207 
LYS CA   C N S 208 
LYS C    C N N 209 
LYS O    O N N 210 
LYS CB   C N N 211 
LYS CG   C N N 212 
LYS CD   C N N 213 
LYS CE   C N N 214 
LYS NZ   N N N 215 
LYS OXT  O N N 216 
LYS H    H N N 217 
LYS H2   H N N 218 
LYS HA   H N N 219 
LYS HB2  H N N 220 
LYS HB3  H N N 221 
LYS HG2  H N N 222 
LYS HG3  H N N 223 
LYS HD2  H N N 224 
LYS HD3  H N N 225 
LYS HE2  H N N 226 
LYS HE3  H N N 227 
LYS HZ1  H N N 228 
LYS HZ2  H N N 229 
LYS HZ3  H N N 230 
LYS HXT  H N N 231 
MET N    N N N 232 
MET CA   C N S 233 
MET C    C N N 234 
MET O    O N N 235 
MET CB   C N N 236 
MET CG   C N N 237 
MET SD   S N N 238 
MET CE   C N N 239 
MET OXT  O N N 240 
MET H    H N N 241 
MET H2   H N N 242 
MET HA   H N N 243 
MET HB2  H N N 244 
MET HB3  H N N 245 
MET HG2  H N N 246 
MET HG3  H N N 247 
MET HE1  H N N 248 
MET HE2  H N N 249 
MET HE3  H N N 250 
MET HXT  H N N 251 
PHE N    N N N 252 
PHE CA   C N S 253 
PHE C    C N N 254 
PHE O    O N N 255 
PHE CB   C N N 256 
PHE CG   C Y N 257 
PHE CD1  C Y N 258 
PHE CD2  C Y N 259 
PHE CE1  C Y N 260 
PHE CE2  C Y N 261 
PHE CZ   C Y N 262 
PHE OXT  O N N 263 
PHE H    H N N 264 
PHE H2   H N N 265 
PHE HA   H N N 266 
PHE HB2  H N N 267 
PHE HB3  H N N 268 
PHE HD1  H N N 269 
PHE HD2  H N N 270 
PHE HE1  H N N 271 
PHE HE2  H N N 272 
PHE HZ   H N N 273 
PHE HXT  H N N 274 
PRO N    N N N 275 
PRO CA   C N S 276 
PRO C    C N N 277 
PRO O    O N N 278 
PRO CB   C N N 279 
PRO CG   C N N 280 
PRO CD   C N N 281 
PRO OXT  O N N 282 
PRO H    H N N 283 
PRO HA   H N N 284 
PRO HB2  H N N 285 
PRO HB3  H N N 286 
PRO HG2  H N N 287 
PRO HG3  H N N 288 
PRO HD2  H N N 289 
PRO HD3  H N N 290 
PRO HXT  H N N 291 
SER N    N N N 292 
SER CA   C N S 293 
SER C    C N N 294 
SER O    O N N 295 
SER CB   C N N 296 
SER OG   O N N 297 
SER OXT  O N N 298 
SER H    H N N 299 
SER H2   H N N 300 
SER HA   H N N 301 
SER HB2  H N N 302 
SER HB3  H N N 303 
SER HG   H N N 304 
SER HXT  H N N 305 
THR N    N N N 306 
THR CA   C N S 307 
THR C    C N N 308 
THR O    O N N 309 
THR CB   C N R 310 
THR OG1  O N N 311 
THR CG2  C N N 312 
THR OXT  O N N 313 
THR H    H N N 314 
THR H2   H N N 315 
THR HA   H N N 316 
THR HB   H N N 317 
THR HG1  H N N 318 
THR HG21 H N N 319 
THR HG22 H N N 320 
THR HG23 H N N 321 
THR HXT  H N N 322 
TRP N    N N N 323 
TRP CA   C N S 324 
TRP C    C N N 325 
TRP O    O N N 326 
TRP CB   C N N 327 
TRP CG   C Y N 328 
TRP CD1  C Y N 329 
TRP CD2  C Y N 330 
TRP NE1  N Y N 331 
TRP CE2  C Y N 332 
TRP CE3  C Y N 333 
TRP CZ2  C Y N 334 
TRP CZ3  C Y N 335 
TRP CH2  C Y N 336 
TRP OXT  O N N 337 
TRP H    H N N 338 
TRP H2   H N N 339 
TRP HA   H N N 340 
TRP HB2  H N N 341 
TRP HB3  H N N 342 
TRP HD1  H N N 343 
TRP HE1  H N N 344 
TRP HE3  H N N 345 
TRP HZ2  H N N 346 
TRP HZ3  H N N 347 
TRP HH2  H N N 348 
TRP HXT  H N N 349 
TYR N    N N N 350 
TYR CA   C N S 351 
TYR C    C N N 352 
TYR O    O N N 353 
TYR CB   C N N 354 
TYR CG   C Y N 355 
TYR CD1  C Y N 356 
TYR CD2  C Y N 357 
TYR CE1  C Y N 358 
TYR CE2  C Y N 359 
TYR CZ   C Y N 360 
TYR OH   O N N 361 
TYR OXT  O N N 362 
TYR H    H N N 363 
TYR H2   H N N 364 
TYR HA   H N N 365 
TYR HB2  H N N 366 
TYR HB3  H N N 367 
TYR HD1  H N N 368 
TYR HD2  H N N 369 
TYR HE1  H N N 370 
TYR HE2  H N N 371 
TYR HH   H N N 372 
TYR HXT  H N N 373 
VAL N    N N N 374 
VAL CA   C N S 375 
VAL C    C N N 376 
VAL O    O N N 377 
VAL CB   C N N 378 
VAL CG1  C N N 379 
VAL CG2  C N N 380 
VAL OXT  O N N 381 
VAL H    H N N 382 
VAL H2   H N N 383 
VAL HA   H N N 384 
VAL HB   H N N 385 
VAL HG11 H N N 386 
VAL HG12 H N N 387 
VAL HG13 H N N 388 
VAL HG21 H N N 389 
VAL HG22 H N N 390 
VAL HG23 H N N 391 
VAL HXT  H N N 392 
# 
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 
72R F10 C3   sing N N 1   
72R C4  C3   doub Y N 2   
72R C4  C5   sing Y N 3   
72R C3  C2   sing Y N 4   
72R C5  C6   doub Y N 5   
72R C2  C1   doub Y N 6   
72R C6  C1   sing Y N 7   
72R C6  N7   sing N N 8   
72R C1  C9   sing N N 9   
72R N7  C8   sing N N 10  
72R O12 C9   doub N N 11  
72R C9  C8   sing N N 12  
72R C8  O11  doub N N 13  
72R N7  H1   sing N N 14  
72R C5  H2   sing N N 15  
72R C4  H3   sing N N 16  
72R C2  H4   sing N N 17  
ALA N   CA   sing N N 18  
ALA N   H    sing N N 19  
ALA N   H2   sing N N 20  
ALA CA  C    sing N N 21  
ALA CA  CB   sing N N 22  
ALA CA  HA   sing N N 23  
ALA C   O    doub N N 24  
ALA C   OXT  sing N N 25  
ALA CB  HB1  sing N N 26  
ALA CB  HB2  sing N N 27  
ALA CB  HB3  sing N N 28  
ALA OXT HXT  sing N N 29  
ARG N   CA   sing N N 30  
ARG N   H    sing N N 31  
ARG N   H2   sing N N 32  
ARG CA  C    sing N N 33  
ARG CA  CB   sing N N 34  
ARG CA  HA   sing N N 35  
ARG C   O    doub N N 36  
ARG C   OXT  sing N N 37  
ARG CB  CG   sing N N 38  
ARG CB  HB2  sing N N 39  
ARG CB  HB3  sing N N 40  
ARG CG  CD   sing N N 41  
ARG CG  HG2  sing N N 42  
ARG CG  HG3  sing N N 43  
ARG CD  NE   sing N N 44  
ARG CD  HD2  sing N N 45  
ARG CD  HD3  sing N N 46  
ARG NE  CZ   sing N N 47  
ARG NE  HE   sing N N 48  
ARG CZ  NH1  sing N N 49  
ARG CZ  NH2  doub N N 50  
ARG NH1 HH11 sing N N 51  
ARG NH1 HH12 sing N N 52  
ARG NH2 HH21 sing N N 53  
ARG NH2 HH22 sing N N 54  
ARG OXT HXT  sing N N 55  
ASN N   CA   sing N N 56  
ASN N   H    sing N N 57  
ASN N   H2   sing N N 58  
ASN CA  C    sing N N 59  
ASN CA  CB   sing N N 60  
ASN CA  HA   sing N N 61  
ASN C   O    doub N N 62  
ASN C   OXT  sing N N 63  
ASN CB  CG   sing N N 64  
ASN CB  HB2  sing N N 65  
ASN CB  HB3  sing N N 66  
ASN CG  OD1  doub N N 67  
ASN CG  ND2  sing N N 68  
ASN ND2 HD21 sing N N 69  
ASN ND2 HD22 sing N N 70  
ASN OXT HXT  sing N N 71  
ASP N   CA   sing N N 72  
ASP N   H    sing N N 73  
ASP N   H2   sing N N 74  
ASP CA  C    sing N N 75  
ASP CA  CB   sing N N 76  
ASP CA  HA   sing N N 77  
ASP C   O    doub N N 78  
ASP C   OXT  sing N N 79  
ASP CB  CG   sing N N 80  
ASP CB  HB2  sing N N 81  
ASP CB  HB3  sing N N 82  
ASP CG  OD1  doub N N 83  
ASP CG  OD2  sing N N 84  
ASP OD2 HD2  sing N N 85  
ASP OXT HXT  sing N N 86  
GLN N   CA   sing N N 87  
GLN N   H    sing N N 88  
GLN N   H2   sing N N 89  
GLN CA  C    sing N N 90  
GLN CA  CB   sing N N 91  
GLN CA  HA   sing N N 92  
GLN C   O    doub N N 93  
GLN C   OXT  sing N N 94  
GLN CB  CG   sing N N 95  
GLN CB  HB2  sing N N 96  
GLN CB  HB3  sing N N 97  
GLN CG  CD   sing N N 98  
GLN CG  HG2  sing N N 99  
GLN CG  HG3  sing N N 100 
GLN CD  OE1  doub N N 101 
GLN CD  NE2  sing N N 102 
GLN NE2 HE21 sing N N 103 
GLN NE2 HE22 sing N N 104 
GLN OXT HXT  sing N N 105 
GLU N   CA   sing N N 106 
GLU N   H    sing N N 107 
GLU N   H2   sing N N 108 
GLU CA  C    sing N N 109 
GLU CA  CB   sing N N 110 
GLU CA  HA   sing N N 111 
GLU C   O    doub N N 112 
GLU C   OXT  sing N N 113 
GLU CB  CG   sing N N 114 
GLU CB  HB2  sing N N 115 
GLU CB  HB3  sing N N 116 
GLU CG  CD   sing N N 117 
GLU CG  HG2  sing N N 118 
GLU CG  HG3  sing N N 119 
GLU CD  OE1  doub N N 120 
GLU CD  OE2  sing N N 121 
GLU OE2 HE2  sing N N 122 
GLU OXT HXT  sing N N 123 
GLY N   CA   sing N N 124 
GLY N   H    sing N N 125 
GLY N   H2   sing N N 126 
GLY CA  C    sing N N 127 
GLY CA  HA2  sing N N 128 
GLY CA  HA3  sing N N 129 
GLY C   O    doub N N 130 
GLY C   OXT  sing N N 131 
GLY OXT HXT  sing N N 132 
HIS N   CA   sing N N 133 
HIS N   H    sing N N 134 
HIS N   H2   sing N N 135 
HIS CA  C    sing N N 136 
HIS CA  CB   sing N N 137 
HIS CA  HA   sing N N 138 
HIS C   O    doub N N 139 
HIS C   OXT  sing N N 140 
HIS CB  CG   sing N N 141 
HIS CB  HB2  sing N N 142 
HIS CB  HB3  sing N N 143 
HIS CG  ND1  sing Y N 144 
HIS CG  CD2  doub Y N 145 
HIS ND1 CE1  doub Y N 146 
HIS ND1 HD1  sing N N 147 
HIS CD2 NE2  sing Y N 148 
HIS CD2 HD2  sing N N 149 
HIS CE1 NE2  sing Y N 150 
HIS CE1 HE1  sing N N 151 
HIS NE2 HE2  sing N N 152 
HIS OXT HXT  sing N N 153 
HOH O   H1   sing N N 154 
HOH O   H2   sing N N 155 
ILE N   CA   sing N N 156 
ILE N   H    sing N N 157 
ILE N   H2   sing N N 158 
ILE CA  C    sing N N 159 
ILE CA  CB   sing N N 160 
ILE CA  HA   sing N N 161 
ILE C   O    doub N N 162 
ILE C   OXT  sing N N 163 
ILE CB  CG1  sing N N 164 
ILE CB  CG2  sing N N 165 
ILE CB  HB   sing N N 166 
ILE CG1 CD1  sing N N 167 
ILE CG1 HG12 sing N N 168 
ILE CG1 HG13 sing N N 169 
ILE CG2 HG21 sing N N 170 
ILE CG2 HG22 sing N N 171 
ILE CG2 HG23 sing N N 172 
ILE CD1 HD11 sing N N 173 
ILE CD1 HD12 sing N N 174 
ILE CD1 HD13 sing N N 175 
ILE OXT HXT  sing N N 176 
LEU N   CA   sing N N 177 
LEU N   H    sing N N 178 
LEU N   H2   sing N N 179 
LEU CA  C    sing N N 180 
LEU CA  CB   sing N N 181 
LEU CA  HA   sing N N 182 
LEU C   O    doub N N 183 
LEU C   OXT  sing N N 184 
LEU CB  CG   sing N N 185 
LEU CB  HB2  sing N N 186 
LEU CB  HB3  sing N N 187 
LEU CG  CD1  sing N N 188 
LEU CG  CD2  sing N N 189 
LEU CG  HG   sing N N 190 
LEU CD1 HD11 sing N N 191 
LEU CD1 HD12 sing N N 192 
LEU CD1 HD13 sing N N 193 
LEU CD2 HD21 sing N N 194 
LEU CD2 HD22 sing N N 195 
LEU CD2 HD23 sing N N 196 
LEU OXT HXT  sing N N 197 
LYS N   CA   sing N N 198 
LYS N   H    sing N N 199 
LYS N   H2   sing N N 200 
LYS CA  C    sing N N 201 
LYS CA  CB   sing N N 202 
LYS CA  HA   sing N N 203 
LYS C   O    doub N N 204 
LYS C   OXT  sing N N 205 
LYS CB  CG   sing N N 206 
LYS CB  HB2  sing N N 207 
LYS CB  HB3  sing N N 208 
LYS CG  CD   sing N N 209 
LYS CG  HG2  sing N N 210 
LYS CG  HG3  sing N N 211 
LYS CD  CE   sing N N 212 
LYS CD  HD2  sing N N 213 
LYS CD  HD3  sing N N 214 
LYS CE  NZ   sing N N 215 
LYS CE  HE2  sing N N 216 
LYS CE  HE3  sing N N 217 
LYS NZ  HZ1  sing N N 218 
LYS NZ  HZ2  sing N N 219 
LYS NZ  HZ3  sing N N 220 
LYS OXT HXT  sing N N 221 
MET N   CA   sing N N 222 
MET N   H    sing N N 223 
MET N   H2   sing N N 224 
MET CA  C    sing N N 225 
MET CA  CB   sing N N 226 
MET CA  HA   sing N N 227 
MET C   O    doub N N 228 
MET C   OXT  sing N N 229 
MET CB  CG   sing N N 230 
MET CB  HB2  sing N N 231 
MET CB  HB3  sing N N 232 
MET CG  SD   sing N N 233 
MET CG  HG2  sing N N 234 
MET CG  HG3  sing N N 235 
MET SD  CE   sing N N 236 
MET CE  HE1  sing N N 237 
MET CE  HE2  sing N N 238 
MET CE  HE3  sing N N 239 
MET OXT HXT  sing N N 240 
PHE N   CA   sing N N 241 
PHE N   H    sing N N 242 
PHE N   H2   sing N N 243 
PHE CA  C    sing N N 244 
PHE CA  CB   sing N N 245 
PHE CA  HA   sing N N 246 
PHE C   O    doub N N 247 
PHE C   OXT  sing N N 248 
PHE CB  CG   sing N N 249 
PHE CB  HB2  sing N N 250 
PHE CB  HB3  sing N N 251 
PHE CG  CD1  doub Y N 252 
PHE CG  CD2  sing Y N 253 
PHE CD1 CE1  sing Y N 254 
PHE CD1 HD1  sing N N 255 
PHE CD2 CE2  doub Y N 256 
PHE CD2 HD2  sing N N 257 
PHE CE1 CZ   doub Y N 258 
PHE CE1 HE1  sing N N 259 
PHE CE2 CZ   sing Y N 260 
PHE CE2 HE2  sing N N 261 
PHE CZ  HZ   sing N N 262 
PHE OXT HXT  sing N N 263 
PRO N   CA   sing N N 264 
PRO N   CD   sing N N 265 
PRO N   H    sing N N 266 
PRO CA  C    sing N N 267 
PRO CA  CB   sing N N 268 
PRO CA  HA   sing N N 269 
PRO C   O    doub N N 270 
PRO C   OXT  sing N N 271 
PRO CB  CG   sing N N 272 
PRO CB  HB2  sing N N 273 
PRO CB  HB3  sing N N 274 
PRO CG  CD   sing N N 275 
PRO CG  HG2  sing N N 276 
PRO CG  HG3  sing N N 277 
PRO CD  HD2  sing N N 278 
PRO CD  HD3  sing N N 279 
PRO OXT HXT  sing N N 280 
SER N   CA   sing N N 281 
SER N   H    sing N N 282 
SER N   H2   sing N N 283 
SER CA  C    sing N N 284 
SER CA  CB   sing N N 285 
SER CA  HA   sing N N 286 
SER C   O    doub N N 287 
SER C   OXT  sing N N 288 
SER CB  OG   sing N N 289 
SER CB  HB2  sing N N 290 
SER CB  HB3  sing N N 291 
SER OG  HG   sing N N 292 
SER OXT HXT  sing N N 293 
THR N   CA   sing N N 294 
THR N   H    sing N N 295 
THR N   H2   sing N N 296 
THR CA  C    sing N N 297 
THR CA  CB   sing N N 298 
THR CA  HA   sing N N 299 
THR C   O    doub N N 300 
THR C   OXT  sing N N 301 
THR CB  OG1  sing N N 302 
THR CB  CG2  sing N N 303 
THR CB  HB   sing N N 304 
THR OG1 HG1  sing N N 305 
THR CG2 HG21 sing N N 306 
THR CG2 HG22 sing N N 307 
THR CG2 HG23 sing N N 308 
THR OXT HXT  sing N N 309 
TRP N   CA   sing N N 310 
TRP N   H    sing N N 311 
TRP N   H2   sing N N 312 
TRP CA  C    sing N N 313 
TRP CA  CB   sing N N 314 
TRP CA  HA   sing N N 315 
TRP C   O    doub N N 316 
TRP C   OXT  sing N N 317 
TRP CB  CG   sing N N 318 
TRP CB  HB2  sing N N 319 
TRP CB  HB3  sing N N 320 
TRP CG  CD1  doub Y N 321 
TRP CG  CD2  sing Y N 322 
TRP CD1 NE1  sing Y N 323 
TRP CD1 HD1  sing N N 324 
TRP CD2 CE2  doub Y N 325 
TRP CD2 CE3  sing Y N 326 
TRP NE1 CE2  sing Y N 327 
TRP NE1 HE1  sing N N 328 
TRP CE2 CZ2  sing Y N 329 
TRP CE3 CZ3  doub Y N 330 
TRP CE3 HE3  sing N N 331 
TRP CZ2 CH2  doub Y N 332 
TRP CZ2 HZ2  sing N N 333 
TRP CZ3 CH2  sing Y N 334 
TRP CZ3 HZ3  sing N N 335 
TRP CH2 HH2  sing N N 336 
TRP OXT HXT  sing N N 337 
TYR N   CA   sing N N 338 
TYR N   H    sing N N 339 
TYR N   H2   sing N N 340 
TYR CA  C    sing N N 341 
TYR CA  CB   sing N N 342 
TYR CA  HA   sing N N 343 
TYR C   O    doub N N 344 
TYR C   OXT  sing N N 345 
TYR CB  CG   sing N N 346 
TYR CB  HB2  sing N N 347 
TYR CB  HB3  sing N N 348 
TYR CG  CD1  doub Y N 349 
TYR CG  CD2  sing Y N 350 
TYR CD1 CE1  sing Y N 351 
TYR CD1 HD1  sing N N 352 
TYR CD2 CE2  doub Y N 353 
TYR CD2 HD2  sing N N 354 
TYR CE1 CZ   doub Y N 355 
TYR CE1 HE1  sing N N 356 
TYR CE2 CZ   sing Y N 357 
TYR CE2 HE2  sing N N 358 
TYR CZ  OH   sing N N 359 
TYR OH  HH   sing N N 360 
TYR OXT HXT  sing N N 361 
VAL N   CA   sing N N 362 
VAL N   H    sing N N 363 
VAL N   H2   sing N N 364 
VAL CA  C    sing N N 365 
VAL CA  CB   sing N N 366 
VAL CA  HA   sing N N 367 
VAL C   O    doub N N 368 
VAL C   OXT  sing N N 369 
VAL CB  CG1  sing N N 370 
VAL CB  CG2  sing N N 371 
VAL CB  HB   sing N N 372 
VAL CG1 HG11 sing N N 373 
VAL CG1 HG12 sing N N 374 
VAL CG1 HG13 sing N N 375 
VAL CG2 HG21 sing N N 376 
VAL CG2 HG22 sing N N 377 
VAL CG2 HG23 sing N N 378 
VAL OXT HXT  sing N N 379 
# 
_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                    7HB6 
_atom_sites.fract_transf_matrix[1][1]   0.015053 
_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]   0.011008 
_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]   0.010078 
_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.
;
? 
F ? ? 4.90428 4.07044 ? ? 12.99538 1.63651  ? ? 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   ? 4.79457   -29.22786 -38.76515 1.000 81.22863  ? 16  GLU A N   1 
ATOM   2    C CA  . GLU A 1 9   ? 6.00619   -28.41994 -38.83395 1.000 86.92582  ? 16  GLU A CA  1 
ATOM   3    C C   . GLU A 1 9   ? 6.17079   -27.60838 -37.55425 1.000 75.75902  ? 16  GLU A C   1 
ATOM   4    O O   . GLU A 1 9   ? 5.40718   -26.67220 -37.30204 1.000 71.84111  ? 16  GLU A O   1 
ATOM   5    C CB  . GLU A 1 9   ? 5.96715   -27.49371 -40.05293 1.000 91.83248  ? 16  GLU A CB  1 
ATOM   6    C CG  . GLU A 1 9   ? 6.98211   -26.35870 -40.01475 1.000 93.64881  ? 16  GLU A CG  1 
ATOM   7    C CD  . GLU A 1 9   ? 8.39622   -26.82395 -40.30255 1.000 97.99556  ? 16  GLU A CD  1 
ATOM   8    O OE1 . GLU A 1 9   ? 9.34384   -26.07824 -39.97224 1.000 86.61383  ? 16  GLU A OE1 1 
ATOM   9    O OE2 . GLU A 1 9   ? 8.55917   -27.92941 -40.86337 1.000 94.37523  ? 16  GLU A OE2 1 
ATOM   10   N N   . VAL A 1 10  ? 7.16450   -27.96986 -36.74585 1.000 69.19378  ? 17  VAL A N   1 
ATOM   11   C CA  . VAL A 1 10  ? 7.40960   -27.32783 -35.45922 1.000 61.31250  ? 17  VAL A CA  1 
ATOM   12   C C   . VAL A 1 10  ? 8.78890   -26.68602 -35.49940 1.000 54.83050  ? 17  VAL A C   1 
ATOM   13   O O   . VAL A 1 10  ? 9.79676   -27.37725 -35.69460 1.000 50.98541  ? 17  VAL A O   1 
ATOM   14   C CB  . VAL A 1 10  ? 7.30021   -28.32330 -34.29397 1.000 59.87708  ? 17  VAL A CB  1 
ATOM   15   C CG1 . VAL A 1 10  ? 7.48937   -27.61238 -32.96779 1.000 57.45167  ? 17  VAL A CG1 1 
ATOM   16   C CG2 . VAL A 1 10  ? 5.96124   -29.03785 -34.33354 1.000 54.04468  ? 17  VAL A CG2 1 
ATOM   17   N N   . GLU A 1 11  ? 8.83097   -25.36901 -35.31139 1.000 49.08401  ? 18  GLU A N   1 
ATOM   18   C CA  . GLU A 1 11  ? 10.07376  -24.60850 -35.28656 1.000 47.10470  ? 18  GLU A CA  1 
ATOM   19   C C   . GLU A 1 11  ? 10.47628  -24.35530 -33.83905 1.000 52.73092  ? 18  GLU A C   1 
ATOM   20   O O   . GLU A 1 11  ? 9.69772   -23.78726 -33.06585 1.000 43.54349  ? 18  GLU A O   1 
ATOM   21   C CB  . GLU A 1 11  ? 9.92772   -23.28518 -36.03908 1.000 44.10359  ? 18  GLU A CB  1 
ATOM   22   C CG  . GLU A 1 11  ? 9.58520   -23.42563 -37.52272 1.000 55.89377  ? 18  GLU A CG  1 
ATOM   23   C CD  . GLU A 1 11  ? 9.50743   -22.08467 -38.24172 1.000 64.63687  ? 18  GLU A CD  1 
ATOM   24   O OE1 . GLU A 1 11  ? 8.55339   -21.31839 -37.98268 1.000 60.78845  ? 18  GLU A OE1 1 
ATOM   25   O OE2 . GLU A 1 11  ? 10.40067  -21.79902 -39.06853 1.000 65.96050  ? 18  GLU A OE2 1 
ATOM   26   N N   . THR A 1 12  ? 11.68574  -24.78150 -33.47812 1.000 44.13576  ? 19  THR A N   1 
ATOM   27   C CA  . THR A 1 12  ? 12.23819  -24.57112 -32.14584 1.000 40.80048  ? 19  THR A CA  1 
ATOM   28   C C   . THR A 1 12  ? 13.18864  -23.37985 -32.16905 1.000 40.74229  ? 19  THR A C   1 
ATOM   29   O O   . THR A 1 12  ? 14.09186  -23.31549 -33.00874 1.000 43.34517  ? 19  THR A O   1 
ATOM   30   C CB  . THR A 1 12  ? 12.97163  -25.82074 -31.65354 1.000 47.19572  ? 19  THR A CB  1 
ATOM   31   O OG1 . THR A 1 12  ? 12.13285  -26.97077 -31.82140 1.000 46.01323  ? 19  THR A OG1 1 
ATOM   32   C CG2 . THR A 1 12  ? 13.34763  -25.67903 -30.18545 1.000 47.19208  ? 19  THR A CG2 1 
ATOM   33   N N   . PHE A 1 13  ? 12.97793  -22.44082 -31.25234 1.000 44.48079  ? 20  PHE A N   1 
ATOM   34   C CA  . PHE A 1 13  ? 13.79914  -21.24750 -31.13153 1.000 40.37837  ? 20  PHE A CA  1 
ATOM   35   C C   . PHE A 1 13  ? 14.46460  -21.21939 -29.76444 1.000 46.37150  ? 20  PHE A C   1 
ATOM   36   O O   . PHE A 1 13  ? 13.97014  -21.80319 -28.79821 1.000 47.11020  ? 20  PHE A O   1 
ATOM   37   C CB  . PHE A 1 13  ? 12.97932  -19.95945 -31.29421 1.000 44.25716  ? 20  PHE A CB  1 
ATOM   38   C CG  . PHE A 1 13  ? 12.19262  -19.87818 -32.56972 1.000 51.67191  ? 20  PHE A CG  1 
ATOM   39   C CD1 . PHE A 1 13  ? 11.00284  -20.57484 -32.71372 1.000 48.27393  ? 20  PHE A CD1 1 
ATOM   40   C CD2 . PHE A 1 13  ? 12.62384  -19.07258 -33.61227 1.000 51.62949  ? 20  PHE A CD2 1 
ATOM   41   C CE1 . PHE A 1 13  ? 10.27046  -20.49178 -33.88172 1.000 49.36651  ? 20  PHE A CE1 1 
ATOM   42   C CE2 . PHE A 1 13  ? 11.89394  -18.98044 -34.78150 1.000 57.24309  ? 20  PHE A CE2 1 
ATOM   43   C CZ  . PHE A 1 13  ? 10.71693  -19.69415 -34.91827 1.000 57.67983  ? 20  PHE A CZ  1 
ATOM   44   N N   . ALA A 1 14  ? 15.58362  -20.50992 -29.68450 1.000 44.48834  ? 21  ALA A N   1 
ATOM   45   C CA  . ALA A 1 14  ? 16.23064  -20.23384 -28.41196 1.000 44.87494  ? 21  ALA A CA  1 
ATOM   46   C C   . ALA A 1 14  ? 15.80369  -18.86129 -27.91046 1.000 42.85977  ? 21  ALA A C   1 
ATOM   47   O O   . ALA A 1 14  ? 15.73701  -17.89967 -28.68192 1.000 41.38883  ? 21  ALA A O   1 
ATOM   48   C CB  . ALA A 1 14  ? 17.75408  -20.29508 -28.53686 1.000 40.67609  ? 21  ALA A CB  1 
ATOM   49   N N   . PHE A 1 15  ? 15.49739  -18.78246 -26.61805 1.000 40.32504  ? 22  PHE A N   1 
ATOM   50   C CA  . PHE A 1 15  ? 15.22437  -17.49718 -25.99339 1.000 43.83998  ? 22  PHE A CA  1 
ATOM   51   C C   . PHE A 1 15  ? 16.45999  -16.60805 -26.06198 1.000 39.39986  ? 22  PHE A C   1 
ATOM   52   O O   . PHE A 1 15  ? 17.59606  -17.08705 -26.04486 1.000 40.81928  ? 22  PHE A O   1 
ATOM   53   C CB  . PHE A 1 15  ? 14.81721  -17.68656 -24.52831 1.000 42.07880  ? 22  PHE A CB  1 
ATOM   54   C CG  . PHE A 1 15  ? 13.41393  -18.19575 -24.33499 1.000 45.35617  ? 22  PHE A CG  1 
ATOM   55   C CD1 . PHE A 1 15  ? 12.32102  -17.40990 -24.66398 1.000 39.63940  ? 22  PHE A CD1 1 
ATOM   56   C CD2 . PHE A 1 15  ? 13.18932  -19.45436 -23.79906 1.000 44.39647  ? 22  PHE A CD2 1 
ATOM   57   C CE1 . PHE A 1 15  ? 11.02836  -17.87458 -24.47101 1.000 43.13133  ? 22  PHE A CE1 1 
ATOM   58   C CE2 . PHE A 1 15  ? 11.90105  -19.92633 -23.60804 1.000 39.38879  ? 22  PHE A CE2 1 
ATOM   59   C CZ  . PHE A 1 15  ? 10.81933  -19.13488 -23.94536 1.000 36.96274  ? 22  PHE A CZ  1 
ATOM   60   N N   . GLN A 1 16  ? 16.23332  -15.29924 -26.14092 1.000 42.27345  ? 23  GLN A N   1 
ATOM   61   C CA  . GLN A 1 16  ? 17.31402  -14.35879 -25.88267 1.000 44.88159  ? 23  GLN A CA  1 
ATOM   62   C C   . GLN A 1 16  ? 17.90407  -14.62573 -24.50349 1.000 44.41647  ? 23  GLN A C   1 
ATOM   63   O O   . GLN A 1 16  ? 17.20270  -15.03684 -23.57503 1.000 52.10958  ? 23  GLN A O   1 
ATOM   64   C CB  . GLN A 1 16  ? 16.81014  -12.92015 -25.96019 1.000 54.83094  ? 23  GLN A CB  1 
ATOM   65   C CG  . GLN A 1 16  ? 17.09809  -12.22364 -27.26882 1.000 55.96887  ? 23  GLN A CG  1 
ATOM   66   C CD  . GLN A 1 16  ? 16.10976  -11.10948 -27.54687 1.000 80.98470  ? 23  GLN A CD  1 
ATOM   67   O OE1 . GLN A 1 16  ? 16.42636  -9.92765  -27.39558 1.000 85.60890  ? 23  GLN A OE1 1 
ATOM   68   N NE2 . GLN A 1 16  ? 14.90039  -11.48108 -27.95113 1.000 76.93804  ? 23  GLN A NE2 1 
ATOM   69   N N   . ALA A 1 17  ? 19.21199  -14.39284 -24.37761 1.000 48.54057  ? 24  ALA A N   1 
ATOM   70   C CA  . ALA A 1 17  ? 19.90965  -14.72057 -23.13762 1.000 45.58802  ? 24  ALA A CA  1 
ATOM   71   C C   . ALA A 1 17  ? 19.27572  -14.02531 -21.93891 1.000 52.77141  ? 24  ALA A C   1 
ATOM   72   O O   . ALA A 1 17  ? 19.10216  -14.63562 -20.87675 1.000 50.57996  ? 24  ALA A O   1 
ATOM   73   C CB  . ALA A 1 17  ? 21.38669  -14.34872 -23.25496 1.000 45.63075  ? 24  ALA A CB  1 
ATOM   74   N N   . GLU A 1 18  ? 18.91349  -12.75104 -22.09317 1.000 52.18789  ? 25  GLU A N   1 
ATOM   75   C CA  . GLU A 1 18  ? 18.28986  -12.02330 -20.99340 1.000 54.06641  ? 25  GLU A CA  1 
ATOM   76   C C   . GLU A 1 18  ? 16.94331  -12.63041 -20.61758 1.000 54.00226  ? 25  GLU A C   1 
ATOM   77   O O   . GLU A 1 18  ? 16.60217  -12.70244 -19.43147 1.000 51.71305  ? 25  GLU A O   1 
ATOM   78   C CB  . GLU A 1 18  ? 18.13016  -10.54858 -21.36441 1.000 54.46654  ? 25  GLU A CB  1 
ATOM   79   C CG  . GLU A 1 18  ? 19.44294  -9.83583  -21.65543 1.000 73.65076  ? 25  GLU A CG  1 
ATOM   80   C CD  . GLU A 1 18  ? 19.90616  -10.01018 -23.09260 1.000 67.45588  ? 25  GLU A CD  1 
ATOM   81   O OE1 . GLU A 1 18  ? 19.22329  -10.72308 -23.86068 1.000 67.33585  ? 25  GLU A OE1 1 
ATOM   82   O OE2 . GLU A 1 18  ? 20.95783  -9.43606  -23.44974 1.000 71.37258  ? 25  GLU A OE2 1 
ATOM   83   N N   . ILE A 1 19  ? 16.16811  -13.07584 -21.61041 1.000 49.66799  ? 26  ILE A N   1 
ATOM   84   C CA  . ILE A 1 19  ? 14.85420  -13.64509 -21.32627 1.000 49.63584  ? 26  ILE A CA  1 
ATOM   85   C C   . ILE A 1 19  ? 15.00178  -14.99102 -20.62464 1.000 47.73651  ? 26  ILE A C   1 
ATOM   86   O O   . ILE A 1 19  ? 14.27666  -15.28917 -19.66751 1.000 44.99971  ? 26  ILE A O   1 
ATOM   87   C CB  . ILE A 1 19  ? 14.01960  -13.76390 -22.61879 1.000 55.28490  ? 26  ILE A CB  1 
ATOM   88   C CG1 . ILE A 1 19  ? 13.35481  -12.43126 -22.99467 1.000 52.00006  ? 26  ILE A CG1 1 
ATOM   89   C CG2 . ILE A 1 19  ? 12.94195  -14.82265 -22.46427 1.000 46.75908  ? 26  ILE A CG2 1 
ATOM   90   C CD1 . ILE A 1 19  ? 14.30389  -11.30403 -23.34301 1.000 59.46508  ? 26  ILE A CD1 1 
ATOM   91   N N   . ALA A 1 20  ? 15.94574  -15.82226 -21.08146 1.000 42.88457  ? 27  ALA A N   1 
ATOM   92   C CA  . ALA A 1 20  ? 16.20015  -17.09494 -20.41166 1.000 46.09156  ? 27  ALA A CA  1 
ATOM   93   C C   . ALA A 1 20  ? 16.66080  -16.88501 -18.97750 1.000 48.65976  ? 27  ALA A C   1 
ATOM   94   O O   . ALA A 1 20  ? 16.34174  -17.69221 -18.09658 1.000 50.72150  ? 27  ALA A O   1 
ATOM   95   C CB  . ALA A 1 20  ? 17.24043  -17.90535 -21.18640 1.000 43.68047  ? 27  ALA A CB  1 
ATOM   96   N N   . GLN A 1 21  ? 17.40987  -15.81037 -18.72602 1.000 46.41482  ? 28  GLN A N   1 
ATOM   97   C CA  . GLN A 1 21  ? 17.78530  -15.47138 -17.35939 1.000 49.23672  ? 28  GLN A CA  1 
ATOM   98   C C   . GLN A 1 21  ? 16.56519  -15.07066 -16.54065 1.000 48.43744  ? 28  GLN A C   1 
ATOM   99   O O   . GLN A 1 21  ? 16.42365  -15.48284 -15.38348 1.000 51.35692  ? 28  GLN A O   1 
ATOM   100  C CB  . GLN A 1 21  ? 18.82034  -14.34814 -17.37269 1.000 59.15021  ? 28  GLN A CB  1 
ATOM   101  C CG  . GLN A 1 21  ? 20.02564  -14.60099 -16.49212 1.000 78.82825  ? 28  GLN A CG  1 
ATOM   102  C CD  . GLN A 1 21  ? 20.84669  -13.34794 -16.26586 1.000 91.33770  ? 28  GLN A CD  1 
ATOM   103  O OE1 . GLN A 1 21  ? 21.12316  -12.59837 -17.20290 1.000 95.80160  ? 28  GLN A OE1 1 
ATOM   104  N NE2 . GLN A 1 21  ? 21.24268  -13.11371 -15.01893 1.000 80.43179  ? 28  GLN A NE2 1 
ATOM   105  N N   . LEU A 1 22  ? 15.67255  -14.26986 -17.12876 1.000 48.25155  ? 29  LEU A N   1 
ATOM   106  C CA  . LEU A 1 22  ? 14.45719  -13.86749 -16.42978 1.000 43.29023  ? 29  LEU A CA  1 
ATOM   107  C C   . LEU A 1 22  ? 13.62332  -15.07788 -16.03230 1.000 48.30931  ? 29  LEU A C   1 
ATOM   108  O O   . LEU A 1 22  ? 13.08786  -15.13231 -14.91923 1.000 43.63308  ? 29  LEU A O   1 
ATOM   109  C CB  . LEU A 1 22  ? 13.64106  -12.91410 -17.30487 1.000 50.02053  ? 29  LEU A CB  1 
ATOM   110  C CG  . LEU A 1 22  ? 12.25115  -12.50968 -16.79789 1.000 53.93475  ? 29  LEU A CG  1 
ATOM   111  C CD1 . LEU A 1 22  ? 12.35837  -11.73606 -15.49322 1.000 47.64300  ? 29  LEU A CD1 1 
ATOM   112  C CD2 . LEU A 1 22  ? 11.50383  -11.69730 -17.84576 1.000 43.98540  ? 29  LEU A CD2 1 
ATOM   113  N N   . MET A 1 23  ? 13.52248  -16.07078 -16.91916 1.000 45.61646  ? 30  MET A N   1 
ATOM   114  C CA  . MET A 1 23  ? 12.66110  -17.21666 -16.64535 1.000 45.49234  ? 30  MET A CA  1 
ATOM   115  C C   . MET A 1 23  ? 13.24815  -18.11648 -15.56411 1.000 49.26164  ? 30  MET A C   1 
ATOM   116  O O   . MET A 1 23  ? 12.50877  -18.65649 -14.73304 1.000 45.08140  ? 30  MET A O   1 
ATOM   117  C CB  . MET A 1 23  ? 12.41036  -18.00192 -17.93157 1.000 39.30705  ? 30  MET A CB  1 
ATOM   118  C CG  . MET A 1 23  ? 11.49339  -17.27634 -18.90185 1.000 43.08336  ? 30  MET A CG  1 
ATOM   119  S SD  . MET A 1 23  ? 11.35120  -18.07877 -20.50860 1.000 41.92630  ? 30  MET A SD  1 
ATOM   120  C CE  . MET A 1 23  ? 10.33889  -19.49541 -20.09199 1.000 41.44059  ? 30  MET A CE  1 
ATOM   121  N N   . SER A 1 24  ? 14.57086  -18.29659 -15.55564 1.000 47.78408  ? 31  SER A N   1 
ATOM   122  C CA  . SER A 1 24  ? 15.17628  -19.12030 -14.51493 1.000 48.21663  ? 31  SER A CA  1 
ATOM   123  C C   . SER A 1 24  ? 15.15126  -18.41512 -13.16875 1.000 45.14420  ? 31  SER A C   1 
ATOM   124  O O   . SER A 1 24  ? 15.06981  -19.07299 -12.12622 1.000 51.74243  ? 31  SER A O   1 
ATOM   125  C CB  . SER A 1 24  ? 16.60691  -19.49139 -14.89398 1.000 54.79601  ? 31  SER A CB  1 
ATOM   126  O OG  . SER A 1 24  ? 17.41677  -18.33731 -15.00673 1.000 69.07892  ? 31  SER A OG  1 
ATOM   127  N N   . LEU A 1 25  ? 15.21780  -17.08387 -13.17218 1.000 45.34293  ? 32  LEU A N   1 
ATOM   128  C CA  . LEU A 1 25  ? 15.05373  -16.32987 -11.93570 1.000 46.63722  ? 32  LEU A CA  1 
ATOM   129  C C   . LEU A 1 25  ? 13.66203  -16.54808 -11.35002 1.000 52.36471  ? 32  LEU A C   1 
ATOM   130  O O   . LEU A 1 25  ? 13.51317  -16.80974 -10.15119 1.000 52.60893  ? 32  LEU A O   1 
ATOM   131  C CB  . LEU A 1 25  ? 15.31697  -14.84507 -12.19915 1.000 47.10512  ? 32  LEU A CB  1 
ATOM   132  C CG  . LEU A 1 25  ? 15.59181  -13.91923 -11.00705 1.000 64.38403  ? 32  LEU A CG  1 
ATOM   133  C CD1 . LEU A 1 25  ? 16.27581  -12.64995 -11.48254 1.000 64.93629  ? 32  LEU A CD1 1 
ATOM   134  C CD2 . LEU A 1 25  ? 14.31525  -13.56445 -10.25854 1.000 57.42014  ? 32  LEU A CD2 1 
ATOM   135  N N   . ILE A 1 26  ? 12.62860  -16.45144 -12.18966 1.000 47.57555  ? 33  ILE A N   1 
ATOM   136  C CA  . ILE A 1 26  ? 11.25716  -16.64400 -11.72343 1.000 48.77310  ? 33  ILE A CA  1 
ATOM   137  C C   . ILE A 1 26  ? 11.04880  -18.07338 -11.23664 1.000 50.14427  ? 33  ILE A C   1 
ATOM   138  O O   . ILE A 1 26  ? 10.32813  -18.31698 -10.25929 1.000 52.72440  ? 33  ILE A O   1 
ATOM   139  C CB  . ILE A 1 26  ? 10.26648  -16.27184 -12.84338 1.000 47.36339  ? 33  ILE A CB  1 
ATOM   140  C CG1 . ILE A 1 26  ? 10.21815  -14.75382 -13.02536 1.000 42.10220  ? 33  ILE A CG1 1 
ATOM   141  C CG2 . ILE A 1 26  ? 8.88116   -16.84260 -12.56863 1.000 43.39575  ? 33  ILE A CG2 1 
ATOM   142  C CD1 . ILE A 1 26  ? 9.73623   -14.32290 -14.38874 1.000 47.89032  ? 33  ILE A CD1 1 
ATOM   143  N N   . ILE A 1 27  ? 11.68774  -19.03775 -11.89749 1.000 43.58579  ? 34  ILE A N   1 
ATOM   144  C CA  . ILE A 1 27  ? 11.47578  -20.43919 -11.55423 1.000 49.65410  ? 34  ILE A CA  1 
ATOM   145  C C   . ILE A 1 27  ? 12.22855  -20.82642 -10.28332 1.000 52.65129  ? 34  ILE A C   1 
ATOM   146  O O   . ILE A 1 27  ? 11.74861  -21.65846 -9.50320  1.000 59.33815  ? 34  ILE A O   1 
ATOM   147  C CB  . ILE A 1 27  ? 11.87403  -21.32412 -12.74961 1.000 54.26163  ? 34  ILE A CB  1 
ATOM   148  C CG1 . ILE A 1 27  ? 10.77625  -21.29700 -13.81329 1.000 44.19533  ? 34  ILE A CG1 1 
ATOM   149  C CG2 . ILE A 1 27  ? 12.15783  -22.75618 -12.31715 1.000 53.95103  ? 34  ILE A CG2 1 
ATOM   150  C CD1 . ILE A 1 27  ? 11.23129  -21.80066 -15.15553 1.000 41.08382  ? 34  ILE A CD1 1 
ATOM   151  N N   . ASN A 1 28  ? 13.38803  -20.21899 -10.02971 1.000 53.23662  ? 35  ASN A N   1 
ATOM   152  C CA  . ASN A 1 28  ? 14.26436  -20.68138 -8.96168  1.000 57.26816  ? 35  ASN A CA  1 
ATOM   153  C C   . ASN A 1 28  ? 14.24616  -19.80651 -7.71583  1.000 55.77299  ? 35  ASN A C   1 
ATOM   154  O O   . ASN A 1 28  ? 14.59585  -20.29646 -6.63692  1.000 62.61540  ? 35  ASN A O   1 
ATOM   155  C CB  . ASN A 1 28  ? 15.70258  -20.78823 -9.47480  1.000 52.92748  ? 35  ASN A CB  1 
ATOM   156  C CG  . ASN A 1 28  ? 15.84772  -21.82208 -10.57055 1.000 62.80134  ? 35  ASN A CG  1 
ATOM   157  O OD1 . ASN A 1 28  ? 15.53347  -22.99600 -10.37782 1.000 64.92898  ? 35  ASN A OD1 1 
ATOM   158  N ND2 . ASN A 1 28  ? 16.32379  -21.39014 -11.73112 1.000 70.89445  ? 35  ASN A ND2 1 
ATOM   159  N N   . THR A 1 29  ? 13.85870  -18.53886 -7.82679  1.000 55.62206  ? 36  THR A N   1 
ATOM   160  C CA  . THR A 1 29  ? 13.81958  -17.67338 -6.65506  1.000 54.14408  ? 36  THR A CA  1 
ATOM   161  C C   . THR A 1 29  ? 12.69303  -18.10702 -5.72529  1.000 57.92302  ? 36  THR A C   1 
ATOM   162  O O   . THR A 1 29  ? 11.54291  -18.24288 -6.15274  1.000 57.32919  ? 36  THR A O   1 
ATOM   163  C CB  . THR A 1 29  ? 13.62216  -16.21509 -7.06972  1.000 56.58768  ? 36  THR A CB  1 
ATOM   164  O OG1 . THR A 1 29  ? 14.76400  -15.76496 -7.80664  1.000 53.20800  ? 36  THR A OG1 1 
ATOM   165  C CG2 . THR A 1 29  ? 13.44804  -15.33254 -5.84248  1.000 59.89734  ? 36  THR A CG2 1 
ATOM   166  N N   . PHE A 1 30  ? 13.02014  -18.33236 -4.45428  1.000 54.36379  ? 37  PHE A N   1 
ATOM   167  C CA  . PHE A 1 30  ? 11.98927  -18.64806 -3.47489  1.000 55.74667  ? 37  PHE A CA  1 
ATOM   168  C C   . PHE A 1 30  ? 11.09841  -17.42911 -3.26796  1.000 64.57429  ? 37  PHE A C   1 
ATOM   169  O O   . PHE A 1 30  ? 11.56893  -16.37072 -2.83706  1.000 56.62271  ? 37  PHE A O   1 
ATOM   170  C CB  . PHE A 1 30  ? 12.60838  -19.09047 -2.15217  1.000 62.27955  ? 37  PHE A CB  1 
ATOM   171  C CG  . PHE A 1 30  ? 11.59066  -19.38667 -1.08672  1.000 61.93846  ? 37  PHE A CG  1 
ATOM   172  C CD1 . PHE A 1 30  ? 10.87460  -20.57257 -1.10643  1.000 66.84692  ? 37  PHE A CD1 1 
ATOM   173  C CD2 . PHE A 1 30  ? 11.33801  -18.47459 -0.07548  1.000 61.66041  ? 37  PHE A CD2 1 
ATOM   174  C CE1 . PHE A 1 30  ? 9.92944   -20.84766 -0.13440  1.000 62.53265  ? 37  PHE A CE1 1 
ATOM   175  C CE2 . PHE A 1 30  ? 10.39455  -18.74388 0.90100   1.000 64.16046  ? 37  PHE A CE2 1 
ATOM   176  C CZ  . PHE A 1 30  ? 9.68874   -19.93229 0.86981   1.000 60.52641  ? 37  PHE A CZ  1 
ATOM   177  N N   . TYR A 1 31  ? 9.81353   -17.57523 -3.57927  1.000 52.79489  ? 38  TYR A N   1 
ATOM   178  C CA  . TYR A 1 31  ? 8.88421   -16.45156 -3.50791  1.000 53.43469  ? 38  TYR A CA  1 
ATOM   179  C C   . TYR A 1 31  ? 7.47510   -17.00365 -3.36278  1.000 54.33182  ? 38  TYR A C   1 
ATOM   180  O O   . TYR A 1 31  ? 6.98172   -17.68843 -4.26551  1.000 49.90784  ? 38  TYR A O   1 
ATOM   181  C CB  . TYR A 1 31  ? 9.00706   -15.56888 -4.75049  1.000 52.30591  ? 38  TYR A CB  1 
ATOM   182  C CG  . TYR A 1 31  ? 8.09574   -14.37305 -4.71787  1.000 61.66360  ? 38  TYR A CG  1 
ATOM   183  C CD1 . TYR A 1 31  ? 8.36266   -13.30261 -3.87589  1.000 52.25123  ? 38  TYR A CD1 1 
ATOM   184  C CD2 . TYR A 1 31  ? 6.96634   -14.31134 -5.52725  1.000 52.01836  ? 38  TYR A CD2 1 
ATOM   185  C CE1 . TYR A 1 31  ? 7.53152   -12.20520 -3.83344  1.000 55.43852  ? 38  TYR A CE1 1 
ATOM   186  C CE2 . TYR A 1 31  ? 6.12861   -13.21479 -5.49438  1.000 51.73318  ? 38  TYR A CE2 1 
ATOM   187  C CZ  . TYR A 1 31  ? 6.41671   -12.16524 -4.64399  1.000 62.30070  ? 38  TYR A CZ  1 
ATOM   188  O OH  . TYR A 1 31  ? 5.58950   -11.06881 -4.60121  1.000 69.25513  ? 38  TYR A OH  1 
ATOM   189  N N   . SER A 1 32  ? 6.82711   -16.70297 -2.23758  1.000 52.41714  ? 39  SER A N   1 
ATOM   190  C CA  . SER A 1 32  ? 5.58128   -17.36594 -1.87809  1.000 52.18668  ? 39  SER A CA  1 
ATOM   191  C C   . SER A 1 32  ? 4.33943   -16.68639 -2.44345  1.000 50.64397  ? 39  SER A C   1 
ATOM   192  O O   . SER A 1 32  ? 3.30516   -17.34637 -2.58480  1.000 50.01655  ? 39  SER A O   1 
ATOM   193  C CB  . SER A 1 32  ? 5.46912   -17.46147 -0.35462  1.000 54.55059  ? 39  SER A CB  1 
ATOM   194  O OG  . SER A 1 32  ? 6.44043   -18.35768 0.16088   1.000 56.18361  ? 39  SER A OG  1 
ATOM   195  N N   . ASN A 1 33  ? 4.41600   -15.39880 -2.78318  1.000 50.27177  ? 40  ASN A N   1 
ATOM   196  C CA  . ASN A 1 33  ? 3.26959   -14.64836 -3.29859  1.000 49.15487  ? 40  ASN A CA  1 
ATOM   197  C C   . ASN A 1 33  ? 3.09204   -14.90445 -4.80035  1.000 48.24839  ? 40  ASN A C   1 
ATOM   198  O O   . ASN A 1 33  ? 3.17083   -14.00820 -5.63914  1.000 47.65906  ? 40  ASN A O   1 
ATOM   199  C CB  . ASN A 1 33  ? 3.45138   -13.16515 -2.99533  1.000 50.04775  ? 40  ASN A CB  1 
ATOM   200  C CG  . ASN A 1 33  ? 2.22496   -12.33455 -3.33240  1.000 55.18658  ? 40  ASN A CG  1 
ATOM   201  O OD1 . ASN A 1 33  ? 1.08956   -12.77725 -3.16070  1.000 55.80557  ? 40  ASN A OD1 1 
ATOM   202  N ND2 . ASN A 1 33  ? 2.45315   -11.11354 -3.80491  1.000 54.20404  ? 40  ASN A ND2 1 
ATOM   203  N N   . LYS A 1 34  ? 2.83668   -16.17077 -5.13166  1.000 44.12039  ? 41  LYS A N   1 
ATOM   204  C CA  . LYS A 1 34  ? 2.73629   -16.58498 -6.52583  1.000 43.13293  ? 41  LYS A CA  1 
ATOM   205  C C   . LYS A 1 34  ? 1.44420   -16.13260 -7.19505  1.000 45.57176  ? 41  LYS A C   1 
ATOM   206  O O   . LYS A 1 34  ? 1.38711   -16.09493 -8.42914  1.000 46.56191  ? 41  LYS A O   1 
ATOM   207  C CB  . LYS A 1 34  ? 2.85331   -18.11008 -6.63272  1.000 46.92159  ? 41  LYS A CB  1 
ATOM   208  C CG  . LYS A 1 34  ? 4.24721   -18.65730 -6.35362  1.000 44.99838  ? 41  LYS A CG  1 
ATOM   209  C CD  . LYS A 1 34  ? 4.22683   -20.17519 -6.23837  1.000 49.12206  ? 41  LYS A CD  1 
ATOM   210  C CE  . LYS A 1 34  ? 5.61482   -20.73299 -5.96799  1.000 54.14430  ? 41  LYS A CE  1 
ATOM   211  N NZ  . LYS A 1 34  ? 6.45940   -20.74851 -7.19244  1.000 46.96600  ? 41  LYS A NZ  1 
ATOM   212  N N   . GLU A 1 35  ? 0.41503   -15.77756 -6.41870  1.000 45.36256  ? 42  GLU A N   1 
ATOM   213  C CA  . GLU A 1 35  ? -0.90064  -15.49546 -6.98879  1.000 43.01985  ? 42  GLU A CA  1 
ATOM   214  C C   . GLU A 1 35  ? -0.89826  -14.30691 -7.94369  1.000 43.81959  ? 42  GLU A C   1 
ATOM   215  O O   . GLU A 1 35  ? -1.83998  -14.16682 -8.73304  1.000 41.45708  ? 42  GLU A O   1 
ATOM   216  C CB  . GLU A 1 35  ? -1.92079  -15.25064 -5.87348  1.000 39.48884  ? 42  GLU A CB  1 
ATOM   217  C CG  . GLU A 1 35  ? -1.67465  -13.98289 -5.07299  1.000 45.41419  ? 42  GLU A CG  1 
ATOM   218  C CD  . GLU A 1 35  ? -2.63607  -13.83042 -3.90700  1.000 54.00044  ? 42  GLU A CD  1 
ATOM   219  O OE1 . GLU A 1 35  ? -2.93871  -14.84591 -3.24432  1.000 47.67559  ? 42  GLU A OE1 1 
ATOM   220  O OE2 . GLU A 1 35  ? -3.08661  -12.69363 -3.64906  1.000 62.23148  ? 42  GLU A OE2 1 
ATOM   221  N N   . ILE A 1 36  ? 0.13303   -13.45675 -7.90242  1.000 44.87297  ? 43  ILE A N   1 
ATOM   222  C CA  . ILE A 1 36  ? 0.16126   -12.27272 -8.75558  1.000 40.86326  ? 43  ILE A CA  1 
ATOM   223  C C   . ILE A 1 36  ? 0.25268   -12.61304 -10.23481 1.000 42.57702  ? 43  ILE A C   1 
ATOM   224  O O   . ILE A 1 36  ? 0.08694   -11.72035 -11.07371 1.000 43.97321  ? 43  ILE A O   1 
ATOM   225  C CB  . ILE A 1 36  ? 1.31343   -11.32479 -8.35072  1.000 49.21560  ? 43  ILE A CB  1 
ATOM   226  C CG1 . ILE A 1 36  ? 2.67409   -12.03192 -8.39016  1.000 51.83722  ? 43  ILE A CG1 1 
ATOM   227  C CG2 . ILE A 1 36  ? 1.05519   -10.73039 -6.97820  1.000 55.16338  ? 43  ILE A CG2 1 
ATOM   228  C CD1 . ILE A 1 36  ? 3.41342   -11.89187 -9.70978  1.000 48.79045  ? 43  ILE A CD1 1 
ATOM   229  N N   . PHE A 1 37  ? 0.49354   -13.88161 -10.57791 1.000 40.58298  ? 44  PHE A N   1 
ATOM   230  C CA  . PHE A 1 37  ? 0.53376   -14.26969 -11.98398 1.000 40.71321  ? 44  PHE A CA  1 
ATOM   231  C C   . PHE A 1 37  ? -0.78809  -13.96554 -12.67884 1.000 43.79506  ? 44  PHE A C   1 
ATOM   232  O O   . PHE A 1 37  ? -0.80249  -13.54016 -13.83998 1.000 41.28368  ? 44  PHE A O   1 
ATOM   233  C CB  . PHE A 1 37  ? 0.87980   -15.75624 -12.11874 1.000 40.46248  ? 44  PHE A CB  1 
ATOM   234  C CG  . PHE A 1 37  ? -0.29336  -16.67883 -11.91021 1.000 40.34622  ? 44  PHE A CG  1 
ATOM   235  C CD1 . PHE A 1 37  ? -0.62718  -17.11650 -10.63939 1.000 37.88500  ? 44  PHE A CD1 1 
ATOM   236  C CD2 . PHE A 1 37  ? -1.06804  -17.10003 -12.98481 1.000 42.82419  ? 44  PHE A CD2 1 
ATOM   237  C CE1 . PHE A 1 37  ? -1.70671  -17.95939 -10.44206 1.000 41.21431  ? 44  PHE A CE1 1 
ATOM   238  C CE2 . PHE A 1 37  ? -2.15285  -17.93739 -12.79296 1.000 38.84316  ? 44  PHE A CE2 1 
ATOM   239  C CZ  . PHE A 1 37  ? -2.47073  -18.37028 -11.52142 1.000 42.87409  ? 44  PHE A CZ  1 
ATOM   240  N N   . LEU A 1 38  ? -1.91188  -14.17723 -11.98547 1.000 45.20071  ? 45  LEU A N   1 
ATOM   241  C CA  . LEU A 1 38  ? -3.20773  -13.95541 -12.61699 1.000 38.16590  ? 45  LEU A CA  1 
ATOM   242  C C   . LEU A 1 38  ? -3.43841  -12.47373 -12.88086 1.000 38.52171  ? 45  LEU A C   1 
ATOM   243  O O   . LEU A 1 38  ? -3.98341  -12.10256 -13.92685 1.000 39.20956  ? 45  LEU A O   1 
ATOM   244  C CB  . LEU A 1 38  ? -4.32915  -14.53838 -11.75431 1.000 35.50824  ? 45  LEU A CB  1 
ATOM   245  C CG  . LEU A 1 38  ? -5.67962  -14.66943 -12.46976 1.000 32.91929  ? 45  LEU A CG  1 
ATOM   246  C CD1 . LEU A 1 38  ? -5.55076  -15.55193 -13.70375 1.000 32.35835  ? 45  LEU A CD1 1 
ATOM   247  C CD2 . LEU A 1 38  ? -6.76503  -15.20046 -11.54393 1.000 36.91956  ? 45  LEU A CD2 1 
ATOM   248  N N   . ARG A 1 39  ? -3.01031  -11.61372 -11.95218 1.000 38.05018  ? 46  ARG A N   1 
ATOM   249  C CA  . ARG A 1 39  ? -3.13487  -10.17382 -12.15310 1.000 38.60374  ? 46  ARG A CA  1 
ATOM   250  C C   . ARG A 1 39  ? -2.37641  -9.71736  -13.39480 1.000 41.30544  ? 46  ARG A C   1 
ATOM   251  O O   . ARG A 1 39  ? -2.87133  -8.87854  -14.15633 1.000 45.01585  ? 46  ARG A O   1 
ATOM   252  C CB  . ARG A 1 39  ? -2.63565  -9.42921  -10.91348 1.000 44.54519  ? 46  ARG A CB  1 
ATOM   253  C CG  . ARG A 1 39  ? -2.37393  -7.94682  -11.13174 1.000 48.56443  ? 46  ARG A CG  1 
ATOM   254  C CD  . ARG A 1 39  ? -1.73509  -7.30638  -9.90724  1.000 48.99013  ? 46  ARG A CD  1 
ATOM   255  N NE  . ARG A 1 39  ? -0.29104  -7.51108  -9.87346  1.000 62.97194  ? 46  ARG A NE  1 
ATOM   256  C CZ  . ARG A 1 39  ? 0.45953   -7.40108  -8.78482  1.000 68.35612  ? 46  ARG A CZ  1 
ATOM   257  N NH1 . ARG A 1 39  ? -0.06407  -7.07950  -7.61260  1.000 62.17108  ? 46  ARG A NH1 1 
ATOM   258  N NH2 . ARG A 1 39  ? 1.76917   -7.61673  -8.87491  1.000 50.75400  ? 46  ARG A NH2 1 
ATOM   259  N N   . GLU A 1 40  ? -1.17607  -10.26171 -13.62190 1.000 40.10506  ? 47  GLU A N   1 
ATOM   260  C CA  . GLU A 1 40  ? -0.38251  -9.83341  -14.77117 1.000 37.04399  ? 47  GLU A CA  1 
ATOM   261  C C   . GLU A 1 40  ? -0.99009  -10.32289 -16.07848 1.000 37.65330  ? 47  GLU A C   1 
ATOM   262  O O   . GLU A 1 40  ? -1.06744  -9.56678  -17.05352 1.000 41.83716  ? 47  GLU A O   1 
ATOM   263  C CB  . GLU A 1 40  ? 1.05924   -10.32508 -14.63640 1.000 44.67420  ? 47  GLU A CB  1 
ATOM   264  C CG  . GLU A 1 40  ? 1.71733   -9.98648  -13.30678 1.000 45.90767  ? 47  GLU A CG  1 
ATOM   265  C CD  . GLU A 1 40  ? 1.84536   -8.49051  -13.05417 1.000 56.74018  ? 47  GLU A CD  1 
ATOM   266  O OE1 . GLU A 1 40  ? 1.76957   -7.69750  -14.01877 1.000 45.83636  ? 47  GLU A OE1 1 
ATOM   267  O OE2 . GLU A 1 40  ? 2.00068   -8.10841  -11.87420 1.000 62.07595  ? 47  GLU A OE2 1 
ATOM   268  N N   . LEU A 1 41  ? -1.43033  -11.58250 -16.11816 1.000 39.88595  ? 48  LEU A N   1 
ATOM   269  C CA  . LEU A 1 41  ? -2.04535  -12.11071 -17.33195 1.000 43.04414  ? 48  LEU A CA  1 
ATOM   270  C C   . LEU A 1 41  ? -3.35444  -11.39729 -17.64921 1.000 39.76841  ? 48  LEU A C   1 
ATOM   271  O O   . LEU A 1 41  ? -3.63406  -11.09802 -18.81538 1.000 39.43625  ? 48  LEU A O   1 
ATOM   272  C CB  . LEU A 1 41  ? -2.27173  -13.61546 -17.19455 1.000 43.08906  ? 48  LEU A CB  1 
ATOM   273  C CG  . LEU A 1 41  ? -0.99389  -14.45120 -17.11215 1.000 46.47016  ? 48  LEU A CG  1 
ATOM   274  C CD1 . LEU A 1 41  ? -1.31997  -15.93716 -17.09356 1.000 41.12210  ? 48  LEU A CD1 1 
ATOM   275  C CD2 . LEU A 1 41  ? -0.05884  -14.10777 -18.26099 1.000 40.32126  ? 48  LEU A CD2 1 
ATOM   276  N N   . ILE A 1 42  ? -4.17096  -11.11940 -16.62928 1.000 41.20860  ? 49  ILE A N   1 
ATOM   277  C CA  . ILE A 1 42  ? -5.41081  -10.38214 -16.85932 1.000 42.46788  ? 49  ILE A CA  1 
ATOM   278  C C   . ILE A 1 42  ? -5.10474  -8.96201  -17.31613 1.000 43.23053  ? 49  ILE A C   1 
ATOM   279  O O   . ILE A 1 42  ? -5.78403  -8.41551  -18.19474 1.000 42.60804  ? 49  ILE A O   1 
ATOM   280  C CB  . ILE A 1 42  ? -6.29069  -10.39469 -15.59455 1.000 41.59553  ? 49  ILE A CB  1 
ATOM   281  C CG1 . ILE A 1 42  ? -6.92189  -11.77274 -15.39336 1.000 37.42831  ? 49  ILE A CG1 1 
ATOM   282  C CG2 . ILE A 1 42  ? -7.37579  -9.32713  -15.67709 1.000 35.93655  ? 49  ILE A CG2 1 
ATOM   283  C CD1 . ILE A 1 42  ? -7.60934  -11.93224 -14.05675 1.000 44.19202  ? 49  ILE A CD1 1 
ATOM   284  N N   . SER A 1 43  ? -4.07404  -8.34557  -16.73483 1.000 38.84152  ? 50  SER A N   1 
ATOM   285  C CA  . SER A 1 43  ? -3.66601  -7.01587  -17.17280 1.000 45.70278  ? 50  SER A CA  1 
ATOM   286  C C   . SER A 1 43  ? -3.15451  -7.04196  -18.61105 1.000 45.86449  ? 50  SER A C   1 
ATOM   287  O O   . SER A 1 43  ? -3.40117  -6.10408  -19.37877 1.000 44.80880  ? 50  SER A O   1 
ATOM   288  C CB  . SER A 1 43  ? -2.60572  -6.46019  -16.22053 1.000 43.51625  ? 50  SER A CB  1 
ATOM   289  O OG  . SER A 1 43  ? -1.95047  -5.33508  -16.77430 1.000 48.81607  ? 50  SER A OG  1 
ATOM   290  N N   . ASN A 1 44  ? -2.45329  -8.11320  -18.99918 1.000 40.66804  ? 51  ASN A N   1 
ATOM   291  C CA  . ASN A 1 44  ? -2.01462  -8.24589  -20.38663 1.000 43.18909  ? 51  ASN A CA  1 
ATOM   292  C C   . ASN A 1 44  ? -3.20010  -8.39824  -21.33017 1.000 40.11100  ? 51  ASN A C   1 
ATOM   293  O O   . ASN A 1 44  ? -3.17863  -7.87691  -22.45142 1.000 42.74671  ? 51  ASN A O   1 
ATOM   294  C CB  . ASN A 1 44  ? -1.07028  -9.43752  -20.53802 1.000 39.63840  ? 51  ASN A CB  1 
ATOM   295  C CG  . ASN A 1 44  ? 0.32723   -9.14151  -20.04406 1.000 45.73665  ? 51  ASN A CG  1 
ATOM   296  O OD1 . ASN A 1 44  ? 0.63630   -8.01835  -19.64293 1.000 36.71933  ? 51  ASN A OD1 1 
ATOM   297  N ND2 . ASN A 1 44  ? 1.18553   -10.15260 -20.07526 1.000 39.17093  ? 51  ASN A ND2 1 
ATOM   298  N N   . SER A 1 45  ? -4.23579  -9.12234  -20.89943 1.000 39.73755  ? 52  SER A N   1 
ATOM   299  C CA  . SER A 1 45  ? -5.43798  -9.25551  -21.71500 1.000 43.68583  ? 52  SER A CA  1 
ATOM   300  C C   . SER A 1 45  ? -6.16121  -7.92167  -21.84917 1.000 42.60282  ? 52  SER A C   1 
ATOM   301  O O   . SER A 1 45  ? -6.64452  -7.57460  -22.93385 1.000 39.93750  ? 52  SER A O   1 
ATOM   302  C CB  . SER A 1 45  ? -6.36506  -10.30959 -21.11108 1.000 40.09883  ? 52  SER A CB  1 
ATOM   303  O OG  . SER A 1 45  ? -5.84331  -11.61271 -21.29377 1.000 41.05116  ? 52  SER A OG  1 
ATOM   304  N N   . SER A 1 46  ? -6.24405  -7.16101  -20.75592 1.000 42.51062  ? 53  SER A N   1 
ATOM   305  C CA  . SER A 1 46  ? -6.89149  -5.85659  -20.81196 1.000 47.59083  ? 53  SER A CA  1 
ATOM   306  C C   . SER A 1 46  ? -6.14594  -4.90999  -21.74501 1.000 43.18906  ? 53  SER A C   1 
ATOM   307  O O   . SER A 1 46  ? -6.76954  -4.08078  -22.41696 1.000 47.78198  ? 53  SER A O   1 
ATOM   308  C CB  . SER A 1 46  ? -6.99514  -5.26827  -19.40264 1.000 41.82487  ? 53  SER A CB  1 
ATOM   309  O OG  . SER A 1 46  ? -7.52339  -3.95372  -19.42310 1.000 46.79354  ? 53  SER A OG  1 
ATOM   310  N N   . ASP A 1 47  ? -4.81707  -5.02712  -21.81009 1.000 44.92769  ? 54  ASP A N   1 
ATOM   311  C CA  . ASP A 1 47  ? -4.04182  -4.21107  -22.73978 1.000 41.27682  ? 54  ASP A CA  1 
ATOM   312  C C   . ASP A 1 47  ? -4.32522  -4.60329  -24.18565 1.000 40.58325  ? 54  ASP A C   1 
ATOM   313  O O   . ASP A 1 47  ? -4.41007  -3.73795  -25.06471 1.000 43.61641  ? 54  ASP A O   1 
ATOM   314  C CB  . ASP A 1 47  ? -2.55022  -4.34314  -22.42962 1.000 40.79919  ? 54  ASP A CB  1 
ATOM   315  C CG  . ASP A 1 47  ? -2.14604  -3.60025  -21.16863 1.000 50.10771  ? 54  ASP A CG  1 
ATOM   316  O OD1 . ASP A 1 47  ? -3.03635  -3.04990  -20.48539 1.000 58.04891  ? 54  ASP A OD1 1 
ATOM   317  O OD2 . ASP A 1 47  ? -0.93703  -3.57755  -20.85414 1.000 52.51675  ? 54  ASP A OD2 1 
ATOM   318  N N   . ALA A 1 48  ? -4.47145  -5.90495  -24.45109 1.000 39.82910  ? 55  ALA A N   1 
ATOM   319  C CA  . ALA A 1 48  ? -4.79530  -6.35742  -25.80009 1.000 39.37835  ? 55  ALA A CA  1 
ATOM   320  C C   . ALA A 1 48  ? -6.21624  -5.97760  -26.19313 1.000 44.71994  ? 55  ALA A C   1 
ATOM   321  O O   . ALA A 1 48  ? -6.48025  -5.70452  -27.36929 1.000 46.64331  ? 55  ALA A O   1 
ATOM   322  C CB  . ALA A 1 48  ? -4.60424  -7.86971  -25.91013 1.000 35.49199  ? 55  ALA A CB  1 
ATOM   323  N N   . LEU A 1 49  ? -7.14314  -5.96347  -25.23223 1.000 41.41271  ? 56  LEU A N   1 
ATOM   324  C CA  . LEU A 1 49  ? -8.50198  -5.52795  -25.53060 1.000 42.09977  ? 56  LEU A CA  1 
ATOM   325  C C   . LEU A 1 49  ? -8.56475  -4.02345  -25.75576 1.000 44.67234  ? 56  LEU A C   1 
ATOM   326  O O   . LEU A 1 49  ? -9.35999  -3.55407  -26.57655 1.000 46.75119  ? 56  LEU A O   1 
ATOM   327  C CB  . LEU A 1 49  ? -9.44545  -5.94513  -24.40284 1.000 44.56019  ? 56  LEU A CB  1 
ATOM   328  C CG  . LEU A 1 49  ? -9.71915  -7.44809  -24.31630 1.000 45.01306  ? 56  LEU A CG  1 
ATOM   329  C CD1 . LEU A 1 49  ? -10.26075 -7.81859  -22.94825 1.000 42.66494  ? 56  LEU A CD1 1 
ATOM   330  C CD2 . LEU A 1 49  ? -10.67577 -7.88228  -25.41194 1.000 40.23618  ? 56  LEU A CD2 1 
ATOM   331  N N   . ASP A 1 50  ? -7.73461  -3.25644  -25.04418 1.000 49.54381  ? 57  ASP A N   1 
ATOM   332  C CA  . ASP A 1 50  ? -7.65196  -1.82177  -25.29623 1.000 50.92506  ? 57  ASP A CA  1 
ATOM   333  C C   . ASP A 1 50  ? -7.14369  -1.54129  -26.70448 1.000 52.45585  ? 57  ASP A C   1 
ATOM   334  O O   . ASP A 1 50  ? -7.60270  -0.60085  -27.36402 1.000 53.04307  ? 57  ASP A O   1 
ATOM   335  C CB  . ASP A 1 50  ? -6.73624  -1.15656  -24.26732 1.000 44.82549  ? 57  ASP A CB  1 
ATOM   336  C CG  . ASP A 1 50  ? -7.40252  -0.96652  -22.92003 1.000 53.91759  ? 57  ASP A CG  1 
ATOM   337  O OD1 . ASP A 1 50  ? -8.63514  -1.14535  -22.82039 1.000 62.72385  ? 57  ASP A OD1 1 
ATOM   338  O OD2 . ASP A 1 50  ? -6.68465  -0.62877  -21.95612 1.000 61.97741  ? 57  ASP A OD2 1 
ATOM   339  N N   . LYS A 1 51  ? -6.19051  -2.34685  -27.18121 1.000 54.04165  ? 58  LYS A N   1 
ATOM   340  C CA  . LYS A 1 51  ? -5.58745  -2.08351  -28.48346 1.000 53.04624  ? 58  LYS A CA  1 
ATOM   341  C C   . LYS A 1 51  ? -6.57884  -2.32106  -29.61332 1.000 46.69276  ? 58  LYS A C   1 
ATOM   342  O O   . LYS A 1 51  ? -6.64504  -1.52914  -30.56014 1.000 58.29678  ? 58  LYS A O   1 
ATOM   343  C CB  . LYS A 1 51  ? -4.33831  -2.94299  -28.67658 1.000 47.84084  ? 58  LYS A CB  1 
ATOM   344  C CG  . LYS A 1 51  ? -3.04624  -2.20149  -28.39479 1.000 58.15614  ? 58  LYS A CG  1 
ATOM   345  C CD  . LYS A 1 51  ? -2.71171  -1.23940  -29.52949 1.000 61.54867  ? 58  LYS A CD  1 
ATOM   346  C CE  . LYS A 1 51  ? -1.77432  -0.13968  -29.05272 1.000 63.94082  ? 58  LYS A CE  1 
ATOM   347  N NZ  . LYS A 1 51  ? -2.08137  1.17615   -29.67835 1.000 65.00974  ? 58  LYS A NZ  1 
ATOM   348  N N   . ILE A 1 52  ? -7.35789  -3.40288  -29.53688 1.000 48.17555  ? 59  ILE A N   1 
ATOM   349  C CA  . ILE A 1 52  ? -8.33929  -3.65844  -30.58673 1.000 53.77559  ? 59  ILE A CA  1 
ATOM   350  C C   . ILE A 1 52  ? -9.47647  -2.64410  -30.52298 1.000 55.59071  ? 59  ILE A C   1 
ATOM   351  O O   . ILE A 1 52  ? -10.02310 -2.25290  -31.56042 1.000 62.09867  ? 59  ILE A O   1 
ATOM   352  C CB  . ILE A 1 52  ? -8.85559  -5.10939  -30.51073 1.000 45.23914  ? 59  ILE A CB  1 
ATOM   353  C CG1 . ILE A 1 52  ? -9.75279  -5.42020  -31.71152 1.000 52.28678  ? 59  ILE A CG1 1 
ATOM   354  C CG2 . ILE A 1 52  ? -9.60229  -5.36252  -29.20883 1.000 45.19969  ? 59  ILE A CG2 1 
ATOM   355  C CD1 . ILE A 1 52  ? -9.10320  -5.15170  -33.05141 1.000 54.10234  ? 59  ILE A CD1 1 
ATOM   356  N N   . ARG A 1 53  ? -9.83855  -2.18308  -29.32274 1.000 54.18716  ? 60  ARG A N   1 
ATOM   357  C CA  . ARG A 1 53  ? -10.87727 -1.16481  -29.21393 1.000 57.72500  ? 60  ARG A CA  1 
ATOM   358  C C   . ARG A 1 53  ? -10.41421 0.16165   -29.80371 1.000 65.02135  ? 60  ARG A C   1 
ATOM   359  O O   . ARG A 1 53  ? -11.19091 0.85006   -30.47528 1.000 66.64853  ? 60  ARG A O   1 
ATOM   360  C CB  . ARG A 1 53  ? -11.29692 -0.98549  -27.75442 1.000 56.57715  ? 60  ARG A CB  1 
ATOM   361  C CG  . ARG A 1 53  ? -12.45922 -0.01751  -27.56988 1.000 65.31478  ? 60  ARG A CG  1 
ATOM   362  C CD  . ARG A 1 53  ? -13.01505 -0.06634  -26.15716 1.000 76.50310  ? 60  ARG A CD  1 
ATOM   363  N NE  . ARG A 1 53  ? -14.39293 -0.54355  -26.13276 1.000 83.20464  ? 60  ARG A NE  1 
ATOM   364  C CZ  . ARG A 1 53  ? -15.00334 -1.02176  -25.05663 1.000 83.41756  ? 60  ARG A CZ  1 
ATOM   365  N NH1 . ARG A 1 53  ? -14.38677 -1.09769  -23.88765 1.000 69.10168  ? 60  ARG A NH1 1 
ATOM   366  N NH2 . ARG A 1 53  ? -16.26441 -1.43350  -25.15568 1.000 87.37516  ? 60  ARG A NH2 1 
ATOM   367  N N   . TYR A 1 54  ? -9.15289  0.53668   -29.56708 1.000 64.55211  ? 61  TYR A N   1 
ATOM   368  C CA  . TYR A 1 54  ? -8.64866  1.80311   -30.09209 1.000 64.91068  ? 61  TYR A CA  1 
ATOM   369  C C   . TYR A 1 54  ? -8.60302  1.79252   -31.61372 1.000 69.90293  ? 61  TYR A C   1 
ATOM   370  O O   . TYR A 1 54  ? -8.95923  2.78526   -32.26067 1.000 76.82881  ? 61  TYR A O   1 
ATOM   371  C CB  . TYR A 1 54  ? -7.26068  2.10192   -29.52567 1.000 68.44634  ? 61  TYR A CB  1 
ATOM   372  C CG  . TYR A 1 54  ? -6.66723  3.38953   -30.05298 1.000 68.22172  ? 61  TYR A CG  1 
ATOM   373  C CD1 . TYR A 1 54  ? -7.24164  4.61721   -29.74862 1.000 74.31781  ? 61  TYR A CD1 1 
ATOM   374  C CD2 . TYR A 1 54  ? -5.54539  3.37615   -30.87109 1.000 66.31085  ? 61  TYR A CD2 1 
ATOM   375  C CE1 . TYR A 1 54  ? -6.70803  5.79527   -30.23425 1.000 75.72840  ? 61  TYR A CE1 1 
ATOM   376  C CE2 . TYR A 1 54  ? -5.00427  4.54980   -31.36120 1.000 63.27429  ? 61  TYR A CE2 1 
ATOM   377  C CZ  . TYR A 1 54  ? -5.58919  5.75521   -31.03961 1.000 69.57897  ? 61  TYR A CZ  1 
ATOM   378  O OH  . TYR A 1 54  ? -5.05638  6.92666   -31.52531 1.000 81.29424  ? 61  TYR A OH  1 
ATOM   379  N N   . GLU A 1 55  ? -8.15271  0.68255   -32.20328 1.000 70.16120  ? 62  GLU A N   1 
ATOM   380  C CA  . GLU A 1 55  ? -8.14792  0.56912   -33.65696 1.000 71.87350  ? 62  GLU A CA  1 
ATOM   381  C C   . GLU A 1 55  ? -9.56295  0.49192   -34.21363 1.000 70.59493  ? 62  GLU A C   1 
ATOM   382  O O   . GLU A 1 55  ? -9.81260  0.94790   -35.33487 1.000 78.66390  ? 62  GLU A O   1 
ATOM   383  C CB  . GLU A 1 55  ? -7.33953  -0.65574  -34.08194 1.000 69.38370  ? 62  GLU A CB  1 
ATOM   384  C CG  . GLU A 1 55  ? -5.83602  -0.48252  -33.95708 1.000 72.98876  ? 62  GLU A CG  1 
ATOM   385  C CD  . GLU A 1 55  ? -5.07072  -1.72648  -34.36934 1.000 79.79762  ? 62  GLU A CD  1 
ATOM   386  O OE1 . GLU A 1 55  ? -3.86332  -1.81995  -34.05814 1.000 74.13481  ? 62  GLU A OE1 1 
ATOM   387  O OE2 . GLU A 1 55  ? -5.68014  -2.61586  -34.99838 1.000 75.39101  ? 62  GLU A OE2 1 
ATOM   388  N N   . SER A 1 56  ? -10.49972 -0.07095  -33.44660 1.000 72.03180  ? 63  SER A N   1 
ATOM   389  C CA  . SER A 1 56  ? -11.88601 -0.14007  -33.89151 1.000 75.36480  ? 63  SER A CA  1 
ATOM   390  C C   . SER A 1 56  ? -12.57385 1.21823   -33.85946 1.000 77.77265  ? 63  SER A C   1 
ATOM   391  O O   . SER A 1 56  ? -13.60512 1.39069   -34.51782 1.000 80.02503  ? 63  SER A O   1 
ATOM   392  C CB  . SER A 1 56  ? -12.66960 -1.13246  -33.03201 1.000 64.33251  ? 63  SER A CB  1 
ATOM   393  O OG  . SER A 1 56  ? -13.16770 -0.51286  -31.85830 1.000 67.68156  ? 63  SER A OG  1 
ATOM   394  N N   . LEU A 1 57  ? -12.03497 2.18034   -33.10607 1.000 77.55833  ? 64  LEU A N   1 
ATOM   395  C CA  . LEU A 1 57  ? -12.64454 3.50564   -33.05590 1.000 79.18825  ? 64  LEU A CA  1 
ATOM   396  C C   . LEU A 1 57  ? -12.58815 4.18797   -34.41524 1.000 84.48537  ? 64  LEU A C   1 
ATOM   397  O O   . LEU A 1 57  ? -13.56561 4.80976   -34.84793 1.000 87.82517  ? 64  LEU A O   1 
ATOM   398  C CB  . LEU A 1 57  ? -11.95254 4.36768   -31.99926 1.000 79.61166  ? 64  LEU A CB  1 
ATOM   399  C CG  . LEU A 1 57  ? -12.06119 3.93272   -30.53579 1.000 79.01062  ? 64  LEU A CG  1 
ATOM   400  C CD1 . LEU A 1 57  ? -11.48203 5.00044   -29.62159 1.000 76.25012  ? 64  LEU A CD1 1 
ATOM   401  C CD2 . LEU A 1 57  ? -13.50440 3.62412   -30.15962 1.000 72.94300  ? 64  LEU A CD2 1 
ATOM   402  N N   . THR A 1 58  ? -11.45480 4.07898   -35.10465 1.000 87.82805  ? 65  THR A N   1 
ATOM   403  C CA  . THR A 1 58  ? -11.26778 4.69716   -36.40926 1.000 90.08277  ? 65  THR A CA  1 
ATOM   404  C C   . THR A 1 58  ? -11.47394 3.72355   -37.56224 1.000 86.63704  ? 65  THR A C   1 
ATOM   405  O O   . THR A 1 58  ? -11.32264 4.11780   -38.72289 1.000 85.92877  ? 65  THR A O   1 
ATOM   406  C CB  . THR A 1 58  ? -9.86983  5.31889   -36.50124 1.000 91.08363  ? 65  THR A CB  1 
ATOM   407  O OG1 . THR A 1 58  ? -8.93804  4.33900   -36.97530 1.000 92.08884  ? 65  THR A OG1 1 
ATOM   408  C CG2 . THR A 1 58  ? -9.42048  5.82168   -35.13481 1.000 89.33149  ? 65  THR A CG2 1 
ATOM   409  N N   . ASP A 1 59  ? -11.81415 2.46838   -37.27287 1.000 91.55176  ? 66  ASP A N   1 
ATOM   410  C CA  . ASP A 1 59  ? -12.05968 1.46810   -38.30332 1.000 88.45047  ? 66  ASP A CA  1 
ATOM   411  C C   . ASP A 1 59  ? -12.90675 0.34171   -37.72180 1.000 82.02850  ? 66  ASP A C   1 
ATOM   412  O O   . ASP A 1 59  ? -12.36250 -0.62193  -37.16591 1.000 75.80397  ? 66  ASP A O   1 
ATOM   413  C CB  . ASP A 1 59  ? -10.74110 0.92155   -38.85447 1.000 79.89108  ? 66  ASP A CB  1 
ATOM   414  C CG  . ASP A 1 59  ? -10.94488 -0.04405  -40.00636 1.000 82.47574  ? 66  ASP A CG  1 
ATOM   415  O OD1 . ASP A 1 59  ? -12.08444 -0.14561  -40.51037 1.000 88.49762  ? 66  ASP A OD1 1 
ATOM   416  O OD2 . ASP A 1 59  ? -9.96365  -0.70418  -40.40781 1.000 77.09977  ? 66  ASP A OD2 1 
ATOM   417  N N   . PRO A 1 60  ? -14.23688 0.42540   -37.83030 1.000 80.22353  ? 67  PRO A N   1 
ATOM   418  C CA  . PRO A 1 60  ? -15.09201 -0.60873  -37.22258 1.000 78.05158  ? 67  PRO A CA  1 
ATOM   419  C C   . PRO A 1 60  ? -14.94556 -1.98105  -37.85677 1.000 70.19329  ? 67  PRO A C   1 
ATOM   420  O O   . PRO A 1 60  ? -15.38326 -2.96923  -37.25417 1.000 68.01908  ? 67  PRO A O   1 
ATOM   421  C CB  . PRO A 1 60  ? -16.51067 -0.05615  -37.42474 1.000 77.19142  ? 67  PRO A CB  1 
ATOM   422  C CG  . PRO A 1 60  ? -16.32216 1.41881   -37.64553 1.000 77.85128  ? 67  PRO A CG  1 
ATOM   423  C CD  . PRO A 1 60  ? -15.02489 1.53604   -38.38740 1.000 75.41831  ? 67  PRO A CD  1 
ATOM   424  N N   . SER A 1 61  ? -14.34796 -2.08097  -39.04560 1.000 69.38223  ? 68  SER A N   1 
ATOM   425  C CA  . SER A 1 61  ? -14.21282 -3.37501  -39.70258 1.000 71.14981  ? 68  SER A CA  1 
ATOM   426  C C   . SER A 1 61  ? -13.20004 -4.28232  -39.01864 1.000 72.60000  ? 68  SER A C   1 
ATOM   427  O O   . SER A 1 61  ? -13.14842 -5.47464  -39.33914 1.000 71.99713  ? 68  SER A O   1 
ATOM   428  C CB  . SER A 1 61  ? -13.82145 -3.18516  -41.16691 1.000 64.47910  ? 68  SER A CB  1 
ATOM   429  O OG  . SER A 1 61  ? -12.45000 -2.85376  -41.28327 1.000 73.29477  ? 68  SER A OG  1 
ATOM   430  N N   . LYS A 1 62  ? -12.39517 -3.75453  -38.09434 1.000 72.70547  ? 69  LYS A N   1 
ATOM   431  C CA  . LYS A 1 62  ? -11.44885 -4.59689  -37.37538 1.000 68.32366  ? 69  LYS A CA  1 
ATOM   432  C C   . LYS A 1 62  ? -12.13993 -5.50637  -36.36999 1.000 71.95210  ? 69  LYS A C   1 
ATOM   433  O O   . LYS A 1 62  ? -11.52626 -6.47413  -35.90612 1.000 65.77806  ? 69  LYS A O   1 
ATOM   434  C CB  . LYS A 1 62  ? -10.40225 -3.73332  -36.67207 1.000 69.88021  ? 69  LYS A CB  1 
ATOM   435  C CG  . LYS A 1 62  ? -9.76462  -2.69530  -37.57643 1.000 77.26870  ? 69  LYS A CG  1 
ATOM   436  C CD  . LYS A 1 62  ? -8.55759  -3.26807  -38.29895 1.000 78.10574  ? 69  LYS A CD  1 
ATOM   437  C CE  . LYS A 1 62  ? -7.25669  -2.71064  -37.75213 1.000 75.54196  ? 69  LYS A CE  1 
ATOM   438  N NZ  . LYS A 1 62  ? -7.20771  -1.22485  -37.83512 1.000 81.49591  ? 69  LYS A NZ  1 
ATOM   439  N N   . LEU A 1 63  ? -13.39390 -5.21778  -36.02191 1.000 72.54496  ? 70  LEU A N   1 
ATOM   440  C CA  . LEU A 1 63  ? -14.17854 -6.07065  -35.14006 1.000 68.08932  ? 70  LEU A CA  1 
ATOM   441  C C   . LEU A 1 63  ? -14.97782 -7.12093  -35.89851 1.000 60.99718  ? 70  LEU A C   1 
ATOM   442  O O   . LEU A 1 63  ? -15.81021 -7.80314  -35.29270 1.000 63.93358  ? 70  LEU A O   1 
ATOM   443  C CB  . LEU A 1 63  ? -15.12203 -5.22519  -34.28005 1.000 62.70084  ? 70  LEU A CB  1 
ATOM   444  C CG  . LEU A 1 63  ? -14.47329 -4.21056  -33.33911 1.000 66.29865  ? 70  LEU A CG  1 
ATOM   445  C CD1 . LEU A 1 63  ? -15.53474 -3.43799  -32.57065 1.000 69.85060  ? 70  LEU A CD1 1 
ATOM   446  C CD2 . LEU A 1 63  ? -13.51213 -4.90175  -32.38447 1.000 52.39426  ? 70  LEU A CD2 1 
ATOM   447  N N   . ASP A 1 64  ? -14.74207 -7.26732  -37.20527 1.000 57.37269  ? 71  ASP A N   1 
ATOM   448  C CA  . ASP A 1 64  ? -15.45754 -8.27682  -37.97811 1.000 60.89460  ? 71  ASP A CA  1 
ATOM   449  C C   . ASP A 1 64  ? -15.15862 -9.68309  -37.47563 1.000 61.49206  ? 71  ASP A C   1 
ATOM   450  O O   . ASP A 1 64  ? -15.99803 -10.58016 -37.60630 1.000 65.76584  ? 71  ASP A O   1 
ATOM   451  C CB  . ASP A 1 64  ? -15.09986 -8.15574  -39.45999 1.000 57.70792  ? 71  ASP A CB  1 
ATOM   452  C CG  . ASP A 1 64  ? -15.76473 -6.96501  -40.12724 1.000 67.48212  ? 71  ASP A CG  1 
ATOM   453  O OD1 . ASP A 1 64  ? -16.66348 -6.35715  -39.50689 1.000 71.03990  ? 71  ASP A OD1 1 
ATOM   454  O OD2 . ASP A 1 64  ? -15.38773 -6.63783  -41.27379 1.000 67.56656  ? 71  ASP A OD2 1 
ATOM   455  N N   . SER A 1 65  ? -13.97777 -9.89597  -36.89922 1.000 60.57791  ? 72  SER A N   1 
ATOM   456  C CA  . SER A 1 65  ? -13.60796 -11.19855 -36.36035 1.000 58.69733  ? 72  SER A CA  1 
ATOM   457  C C   . SER A 1 65  ? -14.17594 -11.44650 -34.97011 1.000 59.05494  ? 72  SER A C   1 
ATOM   458  O O   . SER A 1 65  ? -13.95527 -12.52714 -34.41280 1.000 61.50173  ? 72  SER A O   1 
ATOM   459  C CB  . SER A 1 65  ? -12.08150 -11.34460 -36.33042 1.000 56.71849  ? 72  SER A CB  1 
ATOM   460  O OG  . SER A 1 65  ? -11.44966 -10.11730 -36.00913 1.000 54.21153  ? 72  SER A OG  1 
ATOM   461  N N   . GLY A 1 66  ? -14.89958 -10.48426 -34.40437 1.000 65.51679  ? 73  GLY A N   1 
ATOM   462  C CA  . GLY A 1 66  ? -15.48020 -10.63507 -33.08452 1.000 63.85404  ? 73  GLY A CA  1 
ATOM   463  C C   . GLY A 1 66  ? -15.75232 -9.30129  -32.42110 1.000 66.42855  ? 73  GLY A C   1 
ATOM   464  O O   . GLY A 1 66  ? -14.82326 -8.52721  -32.17286 1.000 66.54395  ? 73  GLY A O   1 
ATOM   465  N N   . LYS A 1 67  ? -17.02299 -9.01625  -32.13282 1.000 60.75372  ? 74  LYS A N   1 
ATOM   466  C CA  . LYS A 1 67  ? -17.39575 -7.75403  -31.50798 1.000 65.22394  ? 74  LYS A CA  1 
ATOM   467  C C   . LYS A 1 67  ? -17.34344 -7.79530  -29.98615 1.000 58.88823  ? 74  LYS A C   1 
ATOM   468  O O   . LYS A 1 67  ? -17.33163 -6.73269  -29.35464 1.000 61.81527  ? 74  LYS A O   1 
ATOM   469  C CB  . LYS A 1 67  ? -18.80084 -7.33601  -31.95457 1.000 67.70344  ? 74  LYS A CB  1 
ATOM   470  C CG  . LYS A 1 67  ? -18.81538 -6.41786  -33.16530 1.000 69.44226  ? 74  LYS A CG  1 
ATOM   471  C CD  . LYS A 1 67  ? -20.22537 -5.94187  -33.48829 1.000 84.63459  ? 74  LYS A CD  1 
ATOM   472  C CE  . LYS A 1 67  ? -21.18416 -7.10978  -33.65746 1.000 80.97167  ? 74  LYS A CE  1 
ATOM   473  N NZ  . LYS A 1 67  ? -21.39286 -7.45367  -35.09111 1.000 80.99516  ? 74  LYS A NZ  1 
ATOM   474  N N   . GLU A 1 68  ? -17.30835 -8.98282  -29.38480 1.000 56.25772  ? 75  GLU A N   1 
ATOM   475  C CA  . GLU A 1 68  ? -17.25982 -9.10053  -27.93266 1.000 58.19521  ? 75  GLU A CA  1 
ATOM   476  C C   . GLU A 1 68  ? -15.83638 -8.88935  -27.43105 1.000 51.27247  ? 75  GLU A C   1 
ATOM   477  O O   . GLU A 1 68  ? -14.90019 -9.54219  -27.90135 1.000 54.28904  ? 75  GLU A O   1 
ATOM   478  C CB  . GLU A 1 68  ? -17.76770 -10.47156 -27.48325 1.000 57.68596  ? 75  GLU A CB  1 
ATOM   479  C CG  . GLU A 1 68  ? -19.25951 -10.67764 -27.64369 1.000 65.96651  ? 75  GLU A CG  1 
ATOM   480  C CD  . GLU A 1 68  ? -19.65425 -10.96164 -29.08075 1.000 89.36955  ? 75  GLU A CD  1 
ATOM   481  O OE1 . GLU A 1 68  ? -20.77533 -10.57502 -29.47927 1.000 82.21558  ? 75  GLU A OE1 1 
ATOM   482  O OE2 . GLU A 1 68  ? -18.83833 -11.56649 -29.81167 1.000 86.53822  ? 75  GLU A OE2 1 
ATOM   483  N N   . LEU A 1 69  ? -15.67900 -7.97990  -26.47362 1.000 50.88935  ? 76  LEU A N   1 
ATOM   484  C CA  . LEU A 1 69  ? -14.40571 -7.72266  -25.80280 1.000 48.82979  ? 76  LEU A CA  1 
ATOM   485  C C   . LEU A 1 69  ? -14.54140 -8.21616  -24.36548 1.000 50.57882  ? 76  LEU A C   1 
ATOM   486  O O   . LEU A 1 69  ? -15.05926 -7.50028  -23.50358 1.000 49.60748  ? 76  LEU A O   1 
ATOM   487  C CB  . LEU A 1 69  ? -14.05252 -6.23850  -25.85168 1.000 47.03471  ? 76  LEU A CB  1 
ATOM   488  C CG  . LEU A 1 69  ? -13.93678 -5.59203  -27.23394 1.000 58.52308  ? 76  LEU A CG  1 
ATOM   489  C CD1 . LEU A 1 69  ? -13.15310 -4.28977  -27.15550 1.000 63.76282  ? 76  LEU A CD1 1 
ATOM   490  C CD2 . LEU A 1 69  ? -13.27446 -6.54506  -28.21304 1.000 54.23078  ? 76  LEU A CD2 1 
ATOM   491  N N   . HIS A 1 70  ? -14.07976 -9.43882  -24.10462 1.000 47.56440  ? 77  HIS A N   1 
ATOM   492  C CA  . HIS A 1 70  ? -14.27590 -10.05901 -22.80261 1.000 46.48094  ? 77  HIS A CA  1 
ATOM   493  C C   . HIS A 1 70  ? -13.05464 -10.88573 -22.42108 1.000 43.38566  ? 77  HIS A C   1 
ATOM   494  O O   . HIS A 1 70  ? -12.13442 -11.09544 -23.21884 1.000 36.16427  ? 77  HIS A O   1 
ATOM   495  C CB  . HIS A 1 70  ? -15.54367 -10.92702 -22.78839 1.000 42.75768  ? 77  HIS A CB  1 
ATOM   496  C CG  . HIS A 1 70  ? -15.50039 -12.08676 -23.73510 1.000 40.49665  ? 77  HIS A CG  1 
ATOM   497  N ND1 . HIS A 1 70  ? -16.30588 -12.16498 -24.84959 1.000 47.96728  ? 77  HIS A ND1 1 
ATOM   498  C CD2 . HIS A 1 70  ? -14.77313 -13.22885 -23.71831 1.000 49.75906  ? 77  HIS A CD2 1 
ATOM   499  C CE1 . HIS A 1 70  ? -16.06331 -13.29504 -25.48885 1.000 43.28324  ? 77  HIS A CE1 1 
ATOM   500  N NE2 . HIS A 1 70  ? -15.13691 -13.95941 -24.82334 1.000 40.05052  ? 77  HIS A NE2 1 
ATOM   501  N N   . ILE A 1 71  ? -13.06249 -11.35484 -21.17353 1.000 35.78034  ? 78  ILE A N   1 
ATOM   502  C CA  . ILE A 1 71  ? -12.02261 -12.21842 -20.62690 1.000 41.51839  ? 78  ILE A CA  1 
ATOM   503  C C   . ILE A 1 71  ? -12.70152 -13.39203 -19.93338 1.000 40.48356  ? 78  ILE A C   1 
ATOM   504  O O   . ILE A 1 71  ? -13.62221 -13.19430 -19.13296 1.000 40.07771  ? 78  ILE A O   1 
ATOM   505  C CB  . ILE A 1 71  ? -11.10810 -11.46516 -19.63930 1.000 37.90070  ? 78  ILE A CB  1 
ATOM   506  C CG1 . ILE A 1 71  ? -10.49761 -10.22952 -20.30518 1.000 33.37520  ? 78  ILE A CG1 1 
ATOM   507  C CG2 . ILE A 1 71  ? -10.02415 -12.38995 -19.10826 1.000 32.36820  ? 78  ILE A CG2 1 
ATOM   508  C CD1 . ILE A 1 71  ? -9.73911  -9.32830  -19.35722 1.000 36.29013  ? 78  ILE A CD1 1 
ATOM   509  N N   . ASN A 1 72  ? -12.25498 -14.60804 -20.24104 1.000 33.86768  ? 79  ASN A N   1 
ATOM   510  C CA  . ASN A 1 72  ? -12.77462 -15.81516 -19.61619 1.000 34.29405  ? 79  ASN A CA  1 
ATOM   511  C C   . ASN A 1 72  ? -11.65559 -16.53450 -18.87346 1.000 38.28717  ? 79  ASN A C   1 
ATOM   512  O O   . ASN A 1 72  ? -10.52273 -16.62075 -19.36436 1.000 36.49936  ? 79  ASN A O   1 
ATOM   513  C CB  . ASN A 1 72  ? -13.40427 -16.76630 -20.65134 1.000 35.06925  ? 79  ASN A CB  1 
ATOM   514  C CG  . ASN A 1 72  ? -14.59657 -16.15301 -21.37344 1.000 39.56235  ? 79  ASN A CG  1 
ATOM   515  O OD1 . ASN A 1 72  ? -15.32082 -15.33221 -20.81505 1.000 36.62442  ? 79  ASN A OD1 1 
ATOM   516  N ND2 . ASN A 1 72  ? -14.81141 -16.56724 -22.61964 1.000 36.85842  ? 79  ASN A ND2 1 
ATOM   517  N N   . LEU A 1 73  ? -11.98202 -17.05016 -17.68983 1.000 35.20339  ? 80  LEU A N   1 
ATOM   518  C CA  . LEU A 1 73  ? -11.08038 -17.88040 -16.89967 1.000 33.74698  ? 80  LEU A CA  1 
ATOM   519  C C   . LEU A 1 73  ? -11.65089 -19.28988 -16.86666 1.000 36.62425  ? 80  LEU A C   1 
ATOM   520  O O   . LEU A 1 73  ? -12.76963 -19.49395 -16.38396 1.000 39.29644  ? 80  LEU A O   1 
ATOM   521  C CB  . LEU A 1 73  ? -10.92116 -17.32416 -15.48518 1.000 35.54982  ? 80  LEU A CB  1 
ATOM   522  C CG  . LEU A 1 73  ? -10.58919 -15.83078 -15.40462 1.000 33.63252  ? 80  LEU A CG  1 
ATOM   523  C CD1 . LEU A 1 73  ? -10.39528 -15.39880 -13.95985 1.000 35.39203  ? 80  LEU A CD1 1 
ATOM   524  C CD2 . LEU A 1 73  ? -9.35171  -15.51826 -16.22985 1.000 32.30516  ? 80  LEU A CD2 1 
ATOM   525  N N   . ILE A 1 74  ? -10.89727 -20.25158 -17.38261 1.000 34.85453  ? 81  ILE A N   1 
ATOM   526  C CA  . ILE A 1 74  ? -11.38647 -21.60842 -17.58558 1.000 37.36811  ? 81  ILE A CA  1 
ATOM   527  C C   . ILE A 1 74  ? -10.45841 -22.58283 -16.86920 1.000 38.75716  ? 81  ILE A C   1 
ATOM   528  O O   . ILE A 1 74  ? -9.40152  -22.94752 -17.38528 1.000 40.83103  ? 81  ILE A O   1 
ATOM   529  C CB  . ILE A 1 74  ? -11.49622 -21.95130 -19.08258 1.000 39.93094  ? 81  ILE A CB  1 
ATOM   530  C CG1 . ILE A 1 74  ? -12.26304 -20.85995 -19.83229 1.000 37.68067  ? 81  ILE A CG1 1 
ATOM   531  C CG2 . ILE A 1 74  ? -12.17360 -23.30256 -19.26070 1.000 38.18322  ? 81  ILE A CG2 1 
ATOM   532  C CD1 . ILE A 1 74  ? -12.09885 -20.93157 -21.33658 1.000 41.65426  ? 81  ILE A CD1 1 
ATOM   533  N N   . PRO A 1 75  ? -10.84272 -23.05897 -15.68603 1.000 37.91683  ? 82  PRO A N   1 
ATOM   534  C CA  . PRO A 1 75  ? -10.08842 -24.12781 -15.02739 1.000 41.89871  ? 82  PRO A CA  1 
ATOM   535  C C   . PRO A 1 75  ? -10.55525 -25.50899 -15.45546 1.000 47.38191  ? 82  PRO A C   1 
ATOM   536  O O   . PRO A 1 75  ? -11.72601 -25.74020 -15.76180 1.000 46.35525  ? 82  PRO A O   1 
ATOM   537  C CB  . PRO A 1 75  ? -10.38407 -23.89405 -13.53904 1.000 45.67600  ? 82  PRO A CB  1 
ATOM   538  C CG  . PRO A 1 75  ? -11.70341 -23.17472 -13.50960 1.000 41.89960  ? 82  PRO A CG  1 
ATOM   539  C CD  . PRO A 1 75  ? -11.98298 -22.60080 -14.87597 1.000 44.70233  ? 82  PRO A CD  1 
ATOM   540  N N   . ASN A 1 76  ? -9.60398  -26.44015 -15.46310 1.000 43.60142  ? 83  ASN A N   1 
ATOM   541  C CA  . ASN A 1 76  ? -9.86412  -27.82276 -15.85391 1.000 44.00022  ? 83  ASN A CA  1 
ATOM   542  C C   . ASN A 1 76  ? -9.02397  -28.72577 -14.96377 1.000 48.90235  ? 83  ASN A C   1 
ATOM   543  O O   . ASN A 1 76  ? -7.80514  -28.80842 -15.13939 1.000 56.76236  ? 83  ASN A O   1 
ATOM   544  C CB  . ASN A 1 76  ? -9.53294  -28.05512 -17.32736 1.000 49.07951  ? 83  ASN A CB  1 
ATOM   545  C CG  . ASN A 1 76  ? -10.00316 -29.40658 -17.82100 1.000 56.32507  ? 83  ASN A CG  1 
ATOM   546  O OD1 . ASN A 1 76  ? -9.45646  -30.44320 -17.44593 1.000 59.54195  ? 83  ASN A OD1 1 
ATOM   547  N ND2 . ASN A 1 76  ? -11.01597 -29.40170 -18.67799 1.000 58.36089  ? 83  ASN A ND2 1 
ATOM   548  N N   . LYS A 1 77  ? -9.67131  -29.40831 -14.01795 1.000 49.08197  ? 84  LYS A N   1 
ATOM   549  C CA  . LYS A 1 77  ? -8.93398  -30.25271 -13.08384 1.000 54.81737  ? 84  LYS A CA  1 
ATOM   550  C C   . LYS A 1 77  ? -8.44230  -31.53656 -13.73920 1.000 61.01200  ? 84  LYS A C   1 
ATOM   551  O O   . LYS A 1 77  ? -7.41058  -32.07948 -13.32826 1.000 62.35286  ? 84  LYS A O   1 
ATOM   552  C CB  . LYS A 1 77  ? -9.80386  -30.57962 -11.87193 1.000 51.22350  ? 84  LYS A CB  1 
ATOM   553  C CG  . LYS A 1 77  ? -9.73801  -29.53755 -10.77250 1.000 58.23633  ? 84  LYS A CG  1 
ATOM   554  C CD  . LYS A 1 77  ? -10.85818 -29.73346 -9.76701  1.000 66.82514  ? 84  LYS A CD  1 
ATOM   555  C CE  . LYS A 1 77  ? -10.79288 -28.69426 -8.66342  1.000 65.09006  ? 84  LYS A CE  1 
ATOM   556  N NZ  . LYS A 1 77  ? -11.80510 -27.62220 -8.85400  1.000 75.64484  ? 84  LYS A NZ  1 
ATOM   557  N N   . GLN A 1 78  ? -9.16085  -32.03843 -14.74647 1.000 58.68277  ? 85  GLN A N   1 
ATOM   558  C CA  . GLN A 1 78  ? -8.73009  -33.25484 -15.42918 1.000 65.71883  ? 85  GLN A CA  1 
ATOM   559  C C   . GLN A 1 78  ? -7.38181  -33.04869 -16.10758 1.000 59.22886  ? 85  GLN A C   1 
ATOM   560  O O   . GLN A 1 78  ? -6.45696  -33.85080 -15.93736 1.000 58.68243  ? 85  GLN A O   1 
ATOM   561  C CB  . GLN A 1 78  ? -9.78659  -33.68962 -16.44759 1.000 68.33262  ? 85  GLN A CB  1 
ATOM   562  C CG  . GLN A 1 78  ? -9.88865  -35.19886 -16.63539 1.000 77.04352  ? 85  GLN A CG  1 
ATOM   563  C CD  . GLN A 1 78  ? -11.31959 -35.67611 -16.81894 1.000 92.85000  ? 85  GLN A CD  1 
ATOM   564  O OE1 . GLN A 1 78  ? -11.93677 -35.44054 -17.85933 1.000 94.38176  ? 85  GLN A OE1 1 
ATOM   565  N NE2 . GLN A 1 78  ? -11.85014 -36.36009 -15.81096 1.000 89.03422  ? 85  GLN A NE2 1 
ATOM   566  N N   . ASP A 1 79  ? -7.25223  -31.96913 -16.87778 1.000 57.12329  ? 86  ASP A N   1 
ATOM   567  C CA  . ASP A 1 79  ? -6.00271  -31.63667 -17.54748 1.000 58.53039  ? 86  ASP A CA  1 
ATOM   568  C C   . ASP A 1 79  ? -5.03718  -30.86824 -16.65393 1.000 58.43653  ? 86  ASP A C   1 
ATOM   569  O O   . ASP A 1 79  ? -3.87299  -30.70038 -17.03261 1.000 54.87405  ? 86  ASP A O   1 
ATOM   570  C CB  . ASP A 1 79  ? -6.29381  -30.82435 -18.81304 1.000 56.63363  ? 86  ASP A CB  1 
ATOM   571  C CG  . ASP A 1 79  ? -7.34334  -31.47730 -19.69779 1.000 63.92066  ? 86  ASP A CG  1 
ATOM   572  O OD1 . ASP A 1 79  ? -7.65560  -32.66672 -19.47857 1.000 63.22795  ? 86  ASP A OD1 1 
ATOM   573  O OD2 . ASP A 1 79  ? -7.86760  -30.79734 -20.60410 1.000 67.91340  ? 86  ASP A OD2 1 
ATOM   574  N N   . ARG A 1 80  ? -5.48811  -30.41566 -15.48206 1.000 59.99849  ? 87  ARG A N   1 
ATOM   575  C CA  . ARG A 1 80  ? -4.68607  -29.58687 -14.58071 1.000 54.50106  ? 87  ARG A CA  1 
ATOM   576  C C   . ARG A 1 80  ? -4.15943  -28.34952 -15.30581 1.000 48.75784  ? 87  ARG A C   1 
ATOM   577  O O   . ARG A 1 80  ? -2.96558  -28.04276 -15.28473 1.000 51.39668  ? 87  ARG A O   1 
ATOM   578  C CB  . ARG A 1 80  ? -3.54405  -30.38983 -13.95095 1.000 49.36069  ? 87  ARG A CB  1 
ATOM   579  C CG  . ARG A 1 80  ? -3.10360  -29.86757 -12.59063 1.000 47.79431  ? 87  ARG A CG  1 
ATOM   580  C CD  . ARG A 1 80  ? -2.16507  -30.83700 -11.89371 1.000 57.18834  ? 87  ARG A CD  1 
ATOM   581  N NE  . ARG A 1 80  ? -0.78678  -30.67385 -12.33940 1.000 65.25852  ? 87  ARG A NE  1 
ATOM   582  C CZ  . ARG A 1 80  ? 0.10942   -31.65040 -12.38103 1.000 65.35526  ? 87  ARG A CZ  1 
ATOM   583  N NH1 . ARG A 1 80  ? -0.19097  -32.88189 -12.00098 1.000 58.82767  ? 87  ARG A NH1 1 
ATOM   584  N NH2 . ARG A 1 80  ? 1.33862   -31.38418 -12.81319 1.000 67.12389  ? 87  ARG A NH2 1 
ATOM   585  N N   . THR A 1 81  ? -5.06963  -27.63669 -15.96155 1.000 44.54622  ? 88  THR A N   1 
ATOM   586  C CA  . THR A 1 81  ? -4.73159  -26.41586 -16.67533 1.000 48.05740  ? 88  THR A CA  1 
ATOM   587  C C   . THR A 1 81  ? -5.67019  -25.29640 -16.25513 1.000 46.22651  ? 88  THR A C   1 
ATOM   588  O O   . THR A 1 81  ? -6.84389  -25.53510 -15.95440 1.000 48.85645  ? 88  THR A O   1 
ATOM   589  C CB  . THR A 1 81  ? -4.81062  -26.60127 -18.20077 1.000 46.96554  ? 88  THR A CB  1 
ATOM   590  O OG1 . THR A 1 81  ? -6.14592  -26.96914 -18.57104 1.000 43.68546  ? 88  THR A OG1 1 
ATOM   591  C CG2 . THR A 1 81  ? -3.83426  -27.67519 -18.66874 1.000 43.07288  ? 88  THR A CG2 1 
ATOM   592  N N   . LEU A 1 82  ? -5.13960  -24.07703 -16.23246 1.000 39.13337  ? 89  LEU A N   1 
ATOM   593  C CA  . LEU A 1 82  ? -5.92616  -22.86203 -16.06981 1.000 40.99914  ? 89  LEU A CA  1 
ATOM   594  C C   . LEU A 1 82  ? -5.70794  -22.00496 -17.30705 1.000 44.68459  ? 89  LEU A C   1 
ATOM   595  O O   . LEU A 1 82  ? -4.57303  -21.61385 -17.59855 1.000 38.09910  ? 89  LEU A O   1 
ATOM   596  C CB  . LEU A 1 82  ? -5.52291  -22.10172 -14.80579 1.000 35.60893  ? 89  LEU A CB  1 
ATOM   597  C CG  . LEU A 1 82  ? -6.21419  -20.75273 -14.60105 1.000 39.54632  ? 89  LEU A CG  1 
ATOM   598  C CD1 . LEU A 1 82  ? -7.70175  -20.94783 -14.35010 1.000 34.79905  ? 89  LEU A CD1 1 
ATOM   599  C CD2 . LEU A 1 82  ? -5.56884  -19.97922 -13.46225 1.000 35.58718  ? 89  LEU A CD2 1 
ATOM   600  N N   . THR A 1 83  ? -6.78167  -21.72158 -18.03802 1.000 38.22963  ? 90  THR A N   1 
ATOM   601  C CA  . THR A 1 83  ? -6.68225  -21.01282 -19.30556 1.000 37.33522  ? 90  THR A CA  1 
ATOM   602  C C   . THR A 1 83  ? -7.27122  -19.61391 -19.17478 1.000 40.25363  ? 90  THR A C   1 
ATOM   603  O O   . THR A 1 83  ? -8.35873  -19.44181 -18.61390 1.000 39.97992  ? 90  THR A O   1 
ATOM   604  C CB  . THR A 1 83  ? -7.37882  -21.79514 -20.42050 1.000 39.80622  ? 90  THR A CB  1 
ATOM   605  O OG1 . THR A 1 83  ? -6.77119  -23.08861 -20.54450 1.000 40.79286  ? 90  THR A OG1 1 
ATOM   606  C CG2 . THR A 1 83  ? -7.24732  -21.06681 -21.73849 1.000 36.17962  ? 90  THR A CG2 1 
ATOM   607  N N   . ILE A 1 84  ? -6.53995  -18.62079 -19.68010 1.000 39.97791  ? 91  ILE A N   1 
ATOM   608  C CA  . ILE A 1 84  ? -6.97265  -17.22636 -19.70898 1.000 40.93563  ? 91  ILE A CA  1 
ATOM   609  C C   . ILE A 1 84  ? -7.21863  -16.86465 -21.16867 1.000 41.22162  ? 91  ILE A C   1 
ATOM   610  O O   . ILE A 1 84  ? -6.26986  -16.76272 -21.95815 1.000 40.59659  ? 91  ILE A O   1 
ATOM   611  C CB  . ILE A 1 84  ? -5.93737  -16.28356 -19.07473 1.000 40.51291  ? 91  ILE A CB  1 
ATOM   612  C CG1 . ILE A 1 84  ? -5.74469  -16.58738 -17.58761 1.000 37.34245  ? 91  ILE A CG1 1 
ATOM   613  C CG2 . ILE A 1 84  ? -6.35392  -14.82960 -19.25269 1.000 34.54620  ? 91  ILE A CG2 1 
ATOM   614  C CD1 . ILE A 1 84  ? -4.65802  -17.59508 -17.29168 1.000 45.12748  ? 91  ILE A CD1 1 
ATOM   615  N N   . VAL A 1 85  ? -8.48776  -16.67337 -21.53071 1.000 37.58673  ? 92  VAL A N   1 
ATOM   616  C CA  . VAL A 1 85  ? -8.89955  -16.37544 -22.90033 1.000 35.98230  ? 92  VAL A CA  1 
ATOM   617  C C   . VAL A 1 85  ? -9.33346  -14.91913 -22.97455 1.000 42.34622  ? 92  VAL A C   1 
ATOM   618  O O   . VAL A 1 85  ? -10.12203 -14.45796 -22.14060 1.000 38.90072  ? 92  VAL A O   1 
ATOM   619  C CB  . VAL A 1 85  ? -10.04250 -17.29650 -23.36401 1.000 36.13419  ? 92  VAL A CB  1 
ATOM   620  C CG1 . VAL A 1 85  ? -10.36754 -17.03874 -24.82661 1.000 34.46250  ? 92  VAL A CG1 1 
ATOM   621  C CG2 . VAL A 1 85  ? -9.68531  -18.75090 -23.14156 1.000 40.51042  ? 92  VAL A CG2 1 
ATOM   622  N N   . ASP A 1 86  ? -8.82472  -14.19658 -23.97042 1.000 38.05664  ? 93  ASP A N   1 
ATOM   623  C CA  . ASP A 1 86  ? -9.29491  -12.85185 -24.26024 1.000 38.70210  ? 93  ASP A CA  1 
ATOM   624  C C   . ASP A 1 86  ? -9.51309  -12.70071 -25.75841 1.000 43.91554  ? 93  ASP A C   1 
ATOM   625  O O   . ASP A 1 86  ? -8.90362  -13.40561 -26.56794 1.000 45.13819  ? 93  ASP A O   1 
ATOM   626  C CB  . ASP A 1 86  ? -8.31849  -11.77655 -23.74864 1.000 37.84277  ? 93  ASP A CB  1 
ATOM   627  C CG  . ASP A 1 86  ? -7.00145  -11.76002 -24.50460 1.000 46.24134  ? 93  ASP A CG  1 
ATOM   628  O OD1 . ASP A 1 86  ? -6.98182  -11.31403 -25.67374 1.000 46.00390  ? 93  ASP A OD1 1 
ATOM   629  O OD2 . ASP A 1 86  ? -5.97566  -12.16983 -23.91785 1.000 45.47203  ? 93  ASP A OD2 1 
ATOM   630  N N   . THR A 1 87  ? -10.39848 -11.77582 -26.11916 1.000 38.55918  ? 94  THR A N   1 
ATOM   631  C CA  . THR A 1 87  ? -10.67083 -11.45017 -27.51654 1.000 39.20260  ? 94  THR A CA  1 
ATOM   632  C C   . THR A 1 87  ? -9.98100  -10.15657 -27.92798 1.000 45.44899  ? 94  THR A C   1 
ATOM   633  O O   . THR A 1 87  ? -10.56364 -9.31238  -28.61367 1.000 46.97122  ? 94  THR A O   1 
ATOM   634  C CB  . THR A 1 87  ? -12.17528 -11.37114 -27.76070 1.000 46.68233  ? 94  THR A CB  1 
ATOM   635  O OG1 . THR A 1 87  ? -12.76902 -10.45522 -26.83154 1.000 46.59387  ? 94  THR A OG1 1 
ATOM   636  C CG2 . THR A 1 87  ? -12.81511 -12.74423 -27.59119 1.000 42.59180  ? 94  THR A CG2 1 
ATOM   637  N N   . GLY A 1 88  ? -8.72599  -9.98509  -27.51706 1.000 44.95104  ? 95  GLY A N   1 
ATOM   638  C CA  . GLY A 1 88  ? -7.97214  -8.78547  -27.81145 1.000 37.43149  ? 95  GLY A CA  1 
ATOM   639  C C   . GLY A 1 88  ? -7.44415  -8.75247  -29.23201 1.000 41.99395  ? 95  GLY A C   1 
ATOM   640  O O   . GLY A 1 88  ? -7.89276  -9.48471  -30.11743 1.000 45.18706  ? 95  GLY A O   1 
ATOM   641  N N   . ILE A 1 89  ? -6.45875  -7.87565  -29.44257 1.000 45.82179  ? 96  ILE A N   1 
ATOM   642  C CA  . ILE A 1 89  ? -5.88662  -7.67701  -30.76879 1.000 46.03216  ? 96  ILE A CA  1 
ATOM   643  C C   . ILE A 1 89  ? -5.17960  -8.92922  -31.27753 1.000 44.46822  ? 96  ILE A C   1 
ATOM   644  O O   . ILE A 1 89  ? -5.09021  -9.13773  -32.49247 1.000 48.54912  ? 96  ILE A O   1 
ATOM   645  C CB  . ILE A 1 89  ? -4.93138  -6.46558  -30.74429 1.000 47.36876  ? 96  ILE A CB  1 
ATOM   646  C CG1 . ILE A 1 89  ? -4.45725  -6.11012  -32.15231 1.000 47.25408  ? 96  ILE A CG1 1 
ATOM   647  C CG2 . ILE A 1 89  ? -3.74898  -6.72481  -29.81836 1.000 39.63234  ? 96  ILE A CG2 1 
ATOM   648  C CD1 . ILE A 1 89  ? -5.25517  -5.00353  -32.79361 1.000 59.87491  ? 96  ILE A CD1 1 
ATOM   649  N N   . GLY A 1 90  ? -4.68477  -9.78111  -30.38414 1.000 41.77819  ? 97  GLY A N   1 
ATOM   650  C CA  . GLY A 1 90  ? -3.96719  -10.96805 -30.79914 1.000 45.20464  ? 97  GLY A CA  1 
ATOM   651  C C   . GLY A 1 90  ? -2.52196  -10.66561 -31.14380 1.000 43.28613  ? 97  GLY A C   1 
ATOM   652  O O   . GLY A 1 90  ? -2.02547  -9.54897  -30.99907 1.000 46.72430  ? 97  GLY A O   1 
ATOM   653  N N   . MET A 1 91  ? -1.83181  -11.69662 -31.61983 1.000 47.00781  ? 98  MET A N   1 
ATOM   654  C CA  . MET A 1 91  ? -0.40951  -11.59556 -31.91657 1.000 51.68268  ? 98  MET A CA  1 
ATOM   655  C C   . MET A 1 91  ? -0.09198  -12.28029 -33.23726 1.000 49.03348  ? 98  MET A C   1 
ATOM   656  O O   . MET A 1 91  ? -0.58251  -13.37883 -33.51358 1.000 49.59830  ? 98  MET A O   1 
ATOM   657  C CB  . MET A 1 91  ? 0.43349   -12.21627 -30.79619 1.000 45.90039  ? 98  MET A CB  1 
ATOM   658  C CG  . MET A 1 91  ? 0.52786   -11.35724 -29.55399 1.000 40.99672  ? 98  MET A CG  1 
ATOM   659  S SD  . MET A 1 91  ? 1.53541   -12.13110 -28.27933 1.000 51.17219  ? 98  MET A SD  1 
ATOM   660  C CE  . MET A 1 91  ? 0.53520   -13.56786 -27.89054 1.000 42.59578  ? 98  MET A CE  1 
ATOM   661  N N   . THR A 1 92  ? 0.73228   -11.62446 -34.04795 1.000 51.49507  ? 99  THR A N   1 
ATOM   662  C CA  . THR A 1 92  ? 1.22015   -12.23354 -35.27245 1.000 51.17290  ? 99  THR A CA  1 
ATOM   663  C C   . THR A 1 92  ? 2.34637   -13.21598 -34.95821 1.000 57.50888  ? 99  THR A C   1 
ATOM   664  O O   . THR A 1 92  ? 2.81174   -13.32948 -33.81968 1.000 54.59553  ? 99  THR A O   1 
ATOM   665  C CB  . THR A 1 92  ? 1.70556   -11.16501 -36.25114 1.000 54.52910  ? 99  THR A CB  1 
ATOM   666  O OG1 . THR A 1 92  ? 2.92426   -10.58946 -35.76653 1.000 51.75877  ? 99  THR A OG1 1 
ATOM   667  C CG2 . THR A 1 92  ? 0.66263   -10.07141 -36.40556 1.000 56.46045  ? 99  THR A CG2 1 
ATOM   668  N N   . LYS A 1 93  ? 2.78024   -13.94552 -35.99001 1.000 52.39236  ? 100 LYS A N   1 
ATOM   669  C CA  . LYS A 1 93  ? 3.91615   -14.84522 -35.81678 1.000 58.15449  ? 100 LYS A CA  1 
ATOM   670  C C   . LYS A 1 93  ? 5.17004   -14.06897 -35.43632 1.000 56.86668  ? 100 LYS A C   1 
ATOM   671  O O   . LYS A 1 93  ? 5.93654   -14.49999 -34.56650 1.000 56.46360  ? 100 LYS A O   1 
ATOM   672  C CB  . LYS A 1 93  ? 4.15216   -15.66111 -37.08847 1.000 57.08631  ? 100 LYS A CB  1 
ATOM   673  C CG  . LYS A 1 93  ? 5.21849   -16.73765 -36.92546 1.000 60.31144  ? 100 LYS A CG  1 
ATOM   674  C CD  . LYS A 1 93  ? 5.39661   -17.58138 -38.18040 1.000 59.45984  ? 100 LYS A CD  1 
ATOM   675  C CE  . LYS A 1 93  ? 6.30280   -18.77628 -37.90291 1.000 61.58764  ? 100 LYS A CE  1 
ATOM   676  N NZ  . LYS A 1 93  ? 6.95577   -19.29996 -39.13444 1.000 58.93648  ? 100 LYS A NZ  1 
ATOM   677  N N   . ALA A 1 94  ? 5.38741   -12.91341 -36.07114 1.000 52.11467  ? 101 ALA A N   1 
ATOM   678  C CA  . ALA A 1 94  ? 6.50211   -12.05349 -35.68839 1.000 58.10056  ? 101 ALA A CA  1 
ATOM   679  C C   . ALA A 1 94  ? 6.38970   -11.62029 -34.23225 1.000 60.33622  ? 101 ALA A C   1 
ATOM   680  O O   . ALA A 1 94  ? 7.39352   -11.57881 -33.51229 1.000 57.96535  ? 101 ALA A O   1 
ATOM   681  C CB  . ALA A 1 94  ? 6.56634   -10.83380 -36.60725 1.000 52.31734  ? 101 ALA A CB  1 
ATOM   682  N N   . ASP A 1 95  ? 5.17586   -11.29298 -33.78099 1.000 53.12547  ? 102 ASP A N   1 
ATOM   683  C CA  . ASP A 1 95  ? 4.97965   -10.92636 -32.38182 1.000 60.04253  ? 102 ASP A CA  1 
ATOM   684  C C   . ASP A 1 95  ? 5.37676   -12.07147 -31.46118 1.000 57.84874  ? 102 ASP A C   1 
ATOM   685  O O   . ASP A 1 95  ? 6.09396   -11.87111 -30.47463 1.000 59.71604  ? 102 ASP A O   1 
ATOM   686  C CB  . ASP A 1 95  ? 3.52212   -10.52758 -32.13899 1.000 58.16997  ? 102 ASP A CB  1 
ATOM   687  C CG  . ASP A 1 95  ? 3.16218   -9.20442  -32.78206 1.000 64.19444  ? 102 ASP A CG  1 
ATOM   688  O OD1 . ASP A 1 95  ? 4.03342   -8.31082  -32.83211 1.000 65.77103  ? 102 ASP A OD1 1 
ATOM   689  O OD2 . ASP A 1 95  ? 2.00674   -9.05943  -33.23805 1.000 67.41065  ? 102 ASP A OD2 1 
ATOM   690  N N   . LEU A 1 96  ? 4.92613   -13.28656 -31.78412 1.000 57.90644  ? 103 LEU A N   1 
ATOM   691  C CA  . LEU A 1 96  ? 5.20007   -14.44627 -30.94175 1.000 57.16950  ? 103 LEU A CA  1 
ATOM   692  C C   . LEU A 1 96  ? 6.69719   -14.68359 -30.79394 1.000 54.04818  ? 103 LEU A C   1 
ATOM   693  O O   . LEU A 1 96  ? 7.19771   -14.89568 -29.68402 1.000 57.03499  ? 103 LEU A O   1 
ATOM   694  C CB  . LEU A 1 96  ? 4.52154   -15.68253 -31.52728 1.000 52.61409  ? 103 LEU A CB  1 
ATOM   695  C CG  . LEU A 1 96  ? 3.07265   -15.93001 -31.11857 1.000 52.31923  ? 103 LEU A CG  1 
ATOM   696  C CD1 . LEU A 1 96  ? 2.59819   -17.25952 -31.68334 1.000 47.20949  ? 103 LEU A CD1 1 
ATOM   697  C CD2 . LEU A 1 96  ? 2.92196   -15.89164 -29.60845 1.000 47.57648  ? 103 LEU A CD2 1 
ATOM   698  N N   . ILE A 1 97  ? 7.42995   -14.66156 -31.90826 1.000 58.33877  ? 104 ILE A N   1 
ATOM   699  C CA  . ILE A 1 97  ? 8.86877   -14.89011 -31.83790 1.000 61.72598  ? 104 ILE A CA  1 
ATOM   700  C C   . ILE A 1 97  ? 9.56808   -13.71120 -31.17325 1.000 60.06596  ? 104 ILE A C   1 
ATOM   701  O O   . ILE A 1 97  ? 10.53661  -13.89552 -30.42520 1.000 64.95569  ? 104 ILE A O   1 
ATOM   702  C CB  . ILE A 1 97  ? 9.42174   -15.17995 -33.24534 1.000 57.33703  ? 104 ILE A CB  1 
ATOM   703  C CG1 . ILE A 1 97  ? 8.79622   -16.46648 -33.79003 1.000 50.36004  ? 104 ILE A CG1 1 
ATOM   704  C CG2 . ILE A 1 97  ? 10.93716  -15.29991 -33.22007 1.000 62.41885  ? 104 ILE A CG2 1 
ATOM   705  C CD1 . ILE A 1 97  ? 8.77838   -16.55665 -35.29780 1.000 52.37204  ? 104 ILE A CD1 1 
ATOM   706  N N   . ASN A 1 98  ? 9.07411   -12.49338 -31.39770 1.000 61.37566  ? 105 ASN A N   1 
ATOM   707  C CA  . ASN A 1 98  ? 9.64764   -11.29740 -30.79172 1.000 67.22882  ? 105 ASN A CA  1 
ATOM   708  C C   . ASN A 1 98  ? 9.17241   -11.12602 -29.35083 1.000 68.03088  ? 105 ASN A C   1 
ATOM   709  O O   . ASN A 1 98  ? 8.68262   -10.05419 -28.97686 1.000 67.94631  ? 105 ASN A O   1 
ATOM   710  C CB  . ASN A 1 98  ? 9.28930   -10.06233 -31.62404 1.000 61.75189  ? 105 ASN A CB  1 
ATOM   711  C CG  . ASN A 1 98  ? 10.24127  -8.90547  -31.40072 1.000 79.04157  ? 105 ASN A CG  1 
ATOM   712  O OD1 . ASN A 1 98  ? 10.11856  -7.85635  -32.03474 1.000 88.98345  ? 105 ASN A OD1 1 
ATOM   713  N ND2 . ASN A 1 98  ? 11.20413  -9.09303  -30.50508 1.000 82.14188  ? 105 ASN A ND2 1 
ATOM   714  N N   . ASN A 1 99  ? 9.30545   -12.18312 -28.54408 1.000 62.26905  ? 106 ASN A N   1 
ATOM   715  C CA  . ASN A 1 99  ? 9.01367   -12.14265 -27.10662 1.000 74.70470  ? 106 ASN A CA  1 
ATOM   716  C C   . ASN A 1 99  ? 7.55349   -11.78112 -26.82310 1.000 62.12595  ? 106 ASN A C   1 
ATOM   717  O O   . ASN A 1 99  ? 7.25344   -11.01131 -25.90692 1.000 59.89293  ? 106 ASN A O   1 
ATOM   718  C CB  . ASN A 1 99  ? 9.96595   -11.18752 -26.38198 1.000 60.62059  ? 106 ASN A CB  1 
ATOM   719  C CG  . ASN A 1 99  ? 11.42289  -11.48685 -26.67671 1.000 67.40068  ? 106 ASN A CG  1 
ATOM   720  O OD1 . ASN A 1 99  ? 11.88414  -12.61277 -26.49074 1.000 73.25580  ? 106 ASN A OD1 1 
ATOM   721  N ND2 . ASN A 1 99  ? 12.15749  -10.47786 -27.13373 1.000 66.20714  ? 106 ASN A ND2 1 
ATOM   722  N N   . LEU A 1 100 ? 6.64008   -12.35496 -27.61381 1.000 66.62612  ? 107 LEU A N   1 
ATOM   723  C CA  . LEU A 1 100 ? 5.19051   -12.21515 -27.41520 1.000 66.18178  ? 107 LEU A CA  1 
ATOM   724  C C   . LEU A 1 100 ? 4.75524   -10.74986 -27.38696 1.000 64.67529  ? 107 LEU A C   1 
ATOM   725  O O   . LEU A 1 100 ? 3.92114   -10.34504 -26.57349 1.000 62.29879  ? 107 LEU A O   1 
ATOM   726  C CB  . LEU A 1 100 ? 4.72854   -12.94358 -26.14905 1.000 56.61130  ? 107 LEU A CB  1 
ATOM   727  C CG  . LEU A 1 100 ? 4.97212   -14.45413 -26.13721 1.000 53.37041  ? 107 LEU A CG  1 
ATOM   728  C CD1 . LEU A 1 100 ? 6.23319   -14.77231 -25.35106 1.000 59.41243  ? 107 LEU A CD1 1 
ATOM   729  C CD2 . LEU A 1 100 ? 3.78009   -15.20182 -25.56950 1.000 44.75678  ? 107 LEU A CD2 1 
ATOM   730  N N   . GLY A 1 101 ? 5.32344   -9.94680  -28.28356 1.000 57.02680  ? 108 GLY A N   1 
ATOM   731  C CA  . GLY A 1 101 ? 4.88536   -8.57208  -28.42543 1.000 60.81135  ? 108 GLY A CA  1 
ATOM   732  C C   . GLY A 1 101 ? 5.34703   -7.62390  -27.34306 1.000 76.21751  ? 108 GLY A C   1 
ATOM   733  O O   . GLY A 1 101 ? 4.73919   -6.56528  -27.16159 1.000 77.60060  ? 108 GLY A O   1 
ATOM   734  N N   . THR A 1 102 ? 6.40519   -7.96825  -26.61671 1.000 78.37540  ? 109 THR A N   1 
ATOM   735  C CA  . THR A 1 102 ? 6.95562   -7.11653  -25.57460 1.000 75.48483  ? 109 THR A CA  1 
ATOM   736  C C   . THR A 1 102 ? 8.36262   -6.66419  -25.94765 1.000 73.66474  ? 109 THR A C   1 
ATOM   737  O O   . THR A 1 102 ? 9.01010   -7.22882  -26.83397 1.000 79.39257  ? 109 THR A O   1 
ATOM   738  C CB  . THR A 1 102 ? 6.98993   -7.84284  -24.22294 1.000 69.13720  ? 109 THR A CB  1 
ATOM   739  O OG1 . THR A 1 102 ? 8.05681   -8.80057  -24.21870 1.000 69.59458  ? 109 THR A OG1 1 
ATOM   740  C CG2 . THR A 1 102 ? 5.67424   -8.55820  -23.95880 1.000 49.95104  ? 109 THR A CG2 1 
ATOM   741  N N   . ILE A 1 103 ? 8.82533   -5.62119  -25.25884 1.000 78.27019  ? 110 ILE A N   1 
ATOM   742  C CA  . ILE A 1 103 ? 10.21101  -5.17384  -25.35456 1.000 78.41453  ? 110 ILE A CA  1 
ATOM   743  C C   . ILE A 1 103 ? 10.98849  -5.84244  -24.22899 1.000 68.14550  ? 110 ILE A C   1 
ATOM   744  O O   . ILE A 1 103 ? 11.52305  -5.17232  -23.33766 1.000 66.67753  ? 110 ILE A O   1 
ATOM   745  C CB  . ILE A 1 103 ? 10.31765  -3.63964  -25.28142 1.000 81.59736  ? 110 ILE A CB  1 
ATOM   746  C CG1 . ILE A 1 103 ? 9.38004   -3.08822  -24.20371 1.000 80.28128  ? 110 ILE A CG1 1 
ATOM   747  C CG2 . ILE A 1 103 ? 9.99626   -3.02111  -26.63465 1.000 72.88728  ? 110 ILE A CG2 1 
ATOM   748  C CD1 . ILE A 1 103 ? 9.88820   -1.82324  -23.54229 1.000 79.64143  ? 110 ILE A CD1 1 
ATOM   749  N N   . ALA A 1 104 ? 11.05690  -7.17467  -24.27026 1.000 67.71744  ? 111 ALA A N   1 
ATOM   750  C CA  . ALA A 1 104 ? 11.50078  -7.94484  -23.11553 1.000 65.93039  ? 111 ALA A CA  1 
ATOM   751  C C   . ALA A 1 104 ? 12.98036  -7.76317  -22.80332 1.000 61.96239  ? 111 ALA A C   1 
ATOM   752  O O   . ALA A 1 104 ? 13.37521  -7.95494  -21.64954 1.000 61.51961  ? 111 ALA A O   1 
ATOM   753  C CB  . ALA A 1 104 ? 11.19223  -9.42719  -23.32806 1.000 59.79676  ? 111 ALA A CB  1 
ATOM   754  N N   . LYS A 1 105 ? 13.80616  -7.40025  -23.78872 1.000 66.46538  ? 112 LYS A N   1 
ATOM   755  C CA  . LYS A 1 105 ? 15.23726  -7.26528  -23.52805 1.000 65.59343  ? 112 LYS A CA  1 
ATOM   756  C C   . LYS A 1 105 ? 15.51572  -6.10356  -22.58066 1.000 72.40979  ? 112 LYS A C   1 
ATOM   757  O O   . LYS A 1 105 ? 16.21708  -6.26424  -21.57479 1.000 76.24606  ? 112 LYS A O   1 
ATOM   758  C CB  . LYS A 1 105 ? 16.00608  -7.08746  -24.83843 1.000 71.99833  ? 112 LYS A CB  1 
ATOM   759  C CG  . LYS A 1 105 ? 17.52150  -7.20446  -24.68209 1.000 78.27356  ? 112 LYS A CG  1 
ATOM   760  C CD  . LYS A 1 105 ? 18.25943  -6.02708  -25.31292 1.000 74.33979  ? 112 LYS A CD  1 
ATOM   761  C CE  . LYS A 1 105 ? 19.76357  -6.27693  -25.36901 1.000 83.79716  ? 112 LYS A CE  1 
ATOM   762  N NZ  . LYS A 1 105 ? 20.53788  -5.04055  -25.68123 1.000 89.50600  ? 112 LYS A NZ  1 
ATOM   763  N N   . SER A 1 106 ? 14.97169  -4.92230  -22.88282 1.000 73.75098  ? 113 SER A N   1 
ATOM   764  C CA  . SER A 1 106 ? 15.18400  -3.77039  -22.01343 1.000 71.86209  ? 113 SER A CA  1 
ATOM   765  C C   . SER A 1 106 ? 14.35257  -3.85233  -20.73788 1.000 70.78378  ? 113 SER A C   1 
ATOM   766  O O   . SER A 1 106 ? 14.78829  -3.36331  -19.68938 1.000 73.96053  ? 113 SER A O   1 
ATOM   767  C CB  . SER A 1 106 ? 14.87738  -2.47551  -22.76996 1.000 64.43665  ? 113 SER A CB  1 
ATOM   768  O OG  . SER A 1 106 ? 13.61883  -2.53980  -23.41807 1.000 80.92886  ? 113 SER A OG  1 
ATOM   769  N N   . GLY A 1 107 ? 13.16957  -4.46667  -20.80004 1.000 62.02674  ? 114 GLY A N   1 
ATOM   770  C CA  . GLY A 1 107 ? 12.35745  -4.60483  -19.60178 1.000 64.46143  ? 114 GLY A CA  1 
ATOM   771  C C   . GLY A 1 107 ? 12.96439  -5.55299  -18.58462 1.000 67.52574  ? 114 GLY A C   1 
ATOM   772  O O   . GLY A 1 107 ? 12.85364  -5.33304  -17.37499 1.000 67.11434  ? 114 GLY A O   1 
ATOM   773  N N   . THR A 1 108 ? 13.60403  -6.62603  -19.05828 1.000 65.73137  ? 115 THR A N   1 
ATOM   774  C CA  . THR A 1 108 ? 14.28745  -7.54380  -18.15228 1.000 64.98934  ? 115 THR A CA  1 
ATOM   775  C C   . THR A 1 108 ? 15.46522  -6.87071  -17.46369 1.000 69.73719  ? 115 THR A C   1 
ATOM   776  O O   . THR A 1 108 ? 15.75499  -7.16511  -16.29791 1.000 75.87117  ? 115 THR A O   1 
ATOM   777  C CB  . THR A 1 108 ? 14.75704  -8.78207  -18.91752 1.000 62.54329  ? 115 THR A CB  1 
ATOM   778  O OG1 . THR A 1 108 ? 13.63613  -9.39275  -19.57028 1.000 61.39321  ? 115 THR A OG1 1 
ATOM   779  C CG2 . THR A 1 108 ? 15.40920  -9.78563  -17.98091 1.000 58.13356  ? 115 THR A CG2 1 
ATOM   780  N N   . LYS A 1 109 ? 16.14445  -5.95841  -18.16221 1.000 71.26284  ? 116 LYS A N   1 
ATOM   781  C CA  . LYS A 1 109 ? 17.28550  -5.26450  -17.57689 1.000 74.48016  ? 116 LYS A CA  1 
ATOM   782  C C   . LYS A 1 109 ? 16.85402  -4.38677  -16.40592 1.000 80.55212  ? 116 LYS A C   1 
ATOM   783  O O   . LYS A 1 109 ? 17.42842  -4.46567  -15.31229 1.000 82.94562  ? 116 LYS A O   1 
ATOM   784  C CB  . LYS A 1 109 ? 17.99215  -4.43318  -18.65125 1.000 76.44588  ? 116 LYS A CB  1 
ATOM   785  C CG  . LYS A 1 109 ? 19.18573  -3.60198  -18.16491 1.000 84.77505  ? 116 LYS A CG  1 
ATOM   786  C CD  . LYS A 1 109 ? 20.02431  -4.27942  -17.07030 1.000 97.99523  ? 116 LYS A CD  1 
ATOM   787  C CE  . LYS A 1 109 ? 20.66387  -5.59077  -17.51716 1.000 102.65876 ? 116 LYS A CE  1 
ATOM   788  N NZ  . LYS A 1 109 ? 21.95489  -5.33849  -18.21279 1.000 92.25491  ? 116 LYS A NZ  1 
ATOM   789  N N   . ALA A 1 110 ? 15.84691  -3.53483  -16.61805 1.000 77.93091  ? 117 ALA A N   1 
ATOM   790  C CA  . ALA A 1 110 ? 15.37217  -2.68098  -15.53492 1.000 78.85141  ? 117 ALA A CA  1 
ATOM   791  C C   . ALA A 1 110 ? 14.80622  -3.50249  -14.38336 1.000 82.92719  ? 117 ALA A C   1 
ATOM   792  O O   . ALA A 1 110 ? 14.94500  -3.11321  -13.21828 1.000 87.25910  ? 117 ALA A O   1 
ATOM   793  C CB  . ALA A 1 110 ? 14.32388  -1.69812  -16.06348 1.000 76.59886  ? 117 ALA A CB  1 
ATOM   794  N N   . PHE A 1 111 ? 14.18046  -4.64308  -14.68683 1.000 71.52661  ? 118 PHE A N   1 
ATOM   795  C CA  . PHE A 1 111 ? 13.60562  -5.48458  -13.64108 1.000 71.16234  ? 118 PHE A CA  1 
ATOM   796  C C   . PHE A 1 111 ? 14.69336  -6.10273  -12.77121 1.000 74.15832  ? 118 PHE A C   1 
ATOM   797  O O   . PHE A 1 111 ? 14.61216  -6.06734  -11.53758 1.000 74.15534  ? 118 PHE A O   1 
ATOM   798  C CB  . PHE A 1 111 ? 12.73292  -6.57148  -14.27186 1.000 64.64046  ? 118 PHE A CB  1 
ATOM   799  C CG  . PHE A 1 111 ? 12.06268  -7.48396  -13.27433 1.000 57.83075  ? 118 PHE A CG  1 
ATOM   800  C CD1 . PHE A 1 111 ? 11.59420  -7.00144  -12.06293 1.000 67.01351  ? 118 PHE A CD1 1 
ATOM   801  C CD2 . PHE A 1 111 ? 11.87331  -8.82383  -13.56604 1.000 59.63180  ? 118 PHE A CD2 1 
ATOM   802  C CE1 . PHE A 1 111 ? 10.96410  -7.84248  -11.15501 1.000 59.12181  ? 118 PHE A CE1 1 
ATOM   803  C CE2 . PHE A 1 111 ? 11.24465  -9.66862  -12.66472 1.000 60.53992  ? 118 PHE A CE2 1 
ATOM   804  C CZ  . PHE A 1 111 ? 10.79025  -9.17627  -11.45782 1.000 56.64912  ? 118 PHE A CZ  1 
ATOM   805  N N   . MET A 1 112 ? 15.72425  -6.67184  -13.39672 1.000 74.60849  ? 119 MET A N   1 
ATOM   806  C CA  . MET A 1 112 ? 16.77453  -7.32579  -12.62571 1.000 80.88066  ? 119 MET A CA  1 
ATOM   807  C C   . MET A 1 112 ? 17.60670  -6.32264  -11.84095 1.000 74.97658  ? 119 MET A C   1 
ATOM   808  O O   . MET A 1 112 ? 18.09469  -6.64532  -10.75173 1.000 76.72257  ? 119 MET A O   1 
ATOM   809  C CB  . MET A 1 112 ? 17.65889  -8.15466  -13.55038 1.000 70.49783  ? 119 MET A CB  1 
ATOM   810  C CG  . MET A 1 112 ? 17.11994  -9.54568  -13.79311 1.000 57.70376  ? 119 MET A CG  1 
ATOM   811  S SD  . MET A 1 112 ? 18.11992  -10.45684 -14.97392 1.000 105.68789 ? 119 MET A SD  1 
ATOM   812  C CE  . MET A 1 112 ? 17.26013  -12.02322 -14.98002 1.000 63.60025  ? 119 MET A CE  1 
ATOM   813  N N   . GLU A 1 113 ? 17.77851  -5.10982  -12.37018 1.000 80.81504  ? 120 GLU A N   1 
ATOM   814  C CA  . GLU A 1 113 ? 18.45558  -4.06338  -11.61129 1.000 88.53638  ? 120 GLU A CA  1 
ATOM   815  C C   . GLU A 1 113 ? 17.67678  -3.72245  -10.34896 1.000 89.16398  ? 120 GLU A C   1 
ATOM   816  O O   . GLU A 1 113 ? 18.25202  -3.59052  -9.26168  1.000 90.47003  ? 120 GLU A O   1 
ATOM   817  C CB  . GLU A 1 113 ? 18.63516  -2.81672  -12.47690 1.000 89.32762  ? 120 GLU A CB  1 
ATOM   818  C CG  . GLU A 1 113 ? 19.77783  -2.89695  -13.46775 1.000 107.27347 ? 120 GLU A CG  1 
ATOM   819  C CD  . GLU A 1 113 ? 19.73067  -1.78063  -14.49316 1.000 113.80599 ? 120 GLU A CD  1 
ATOM   820  O OE1 . GLU A 1 113 ? 18.72507  -1.03731  -14.52172 1.000 111.80486 ? 120 GLU A OE1 1 
ATOM   821  O OE2 . GLU A 1 113 ? 20.70564  -1.64009  -15.26196 1.000 108.50159 ? 120 GLU A OE2 1 
ATOM   822  N N   . ALA A 1 114 ? 16.35683  -3.57651  -10.48074 1.000 87.19439  ? 121 ALA A N   1 
ATOM   823  C CA  . ALA A 1 114 ? 15.51947  -3.24586  -9.33549  1.000 82.91328  ? 121 ALA A CA  1 
ATOM   824  C C   . ALA A 1 114 ? 15.49407  -4.37135  -8.31137  1.000 84.27523  ? 121 ALA A C   1 
ATOM   825  O O   . ALA A 1 114 ? 15.39904  -4.10896  -7.10710  1.000 88.43530  ? 121 ALA A O   1 
ATOM   826  C CB  . ALA A 1 114 ? 14.10277  -2.92528  -9.80635  1.000 73.52149  ? 121 ALA A CB  1 
ATOM   827  N N   . LEU A 1 115 ? 15.58195  -5.62346  -8.76702  1.000 83.40779  ? 122 LEU A N   1 
ATOM   828  C CA  . LEU A 1 115 ? 15.50342  -6.75655  -7.85112  1.000 83.94794  ? 122 LEU A CA  1 
ATOM   829  C C   . LEU A 1 115 ? 16.65017  -6.75060  -6.84928  1.000 89.02639  ? 122 LEU A C   1 
ATOM   830  O O   . LEU A 1 115 ? 16.48574  -7.21514  -5.71531  1.000 97.87054  ? 122 LEU A O   1 
ATOM   831  C CB  . LEU A 1 115 ? 15.48844  -8.06342  -8.64385  1.000 76.16635  ? 122 LEU A CB  1 
ATOM   832  C CG  . LEU A 1 115 ? 14.10476  -8.52595  -9.11273  1.000 73.74721  ? 122 LEU A CG  1 
ATOM   833  C CD1 . LEU A 1 115 ? 14.19192  -9.86641  -9.82484  1.000 61.62480  ? 122 LEU A CD1 1 
ATOM   834  C CD2 . LEU A 1 115 ? 13.12644  -8.59320  -7.94747  1.000 69.29149  ? 122 LEU A CD2 1 
ATOM   835  N N   . GLN A 1 116 ? 17.81276  -6.23586  -7.24474  1.000 91.83970  ? 123 GLN A N   1 
ATOM   836  C CA  . GLN A 1 116 ? 18.92588  -6.05889  -6.32473  1.000 102.48703 ? 123 GLN A CA  1 
ATOM   837  C C   . GLN A 1 116 ? 18.88443  -4.71610  -5.60844  1.000 100.97564 ? 123 GLN A C   1 
ATOM   838  O O   . GLN A 1 116 ? 19.61850  -4.52494  -4.63469  1.000 92.90073  ? 123 GLN A O   1 
ATOM   839  C CB  . GLN A 1 116 ? 20.25695  -6.20393  -7.06899  1.000 98.93281  ? 123 GLN A CB  1 
ATOM   840  C CG  . GLN A 1 116 ? 20.37333  -7.47454  -7.90200  1.000 101.62793 ? 123 GLN A CG  1 
ATOM   841  C CD  . GLN A 1 116 ? 20.89685  -8.65130  -7.09802  1.000 112.68227 ? 123 GLN A CD  1 
ATOM   842  O OE1 . GLN A 1 116 ? 22.04116  -9.07384  -7.26778  1.000 112.51347 ? 123 GLN A OE1 1 
ATOM   843  N NE2 . GLN A 1 116 ? 20.05598  -9.19241  -6.22238  1.000 116.46073 ? 123 GLN A NE2 1 
ATOM   844  N N   . ALA A 1 117 ? 18.03855  -3.79366  -6.05902  1.000 102.37283 ? 124 ALA A N   1 
ATOM   845  C CA  . ALA A 1 117 ? 17.90823  -2.46268  -5.47859  1.000 103.97942 ? 124 ALA A CA  1 
ATOM   846  C C   . ALA A 1 117 ? 16.60283  -2.31380  -4.69990  1.000 105.48016 ? 124 ALA A C   1 
ATOM   847  O O   . ALA A 1 117 ? 15.92952  -1.28639  -4.78125  1.000 98.44569  ? 124 ALA A O   1 
ATOM   848  C CB  . ALA A 1 117 ? 18.00641  -1.39011  -6.55625  1.000 92.82636  ? 124 ALA A CB  1 
ATOM   849  N N   . GLY A 1 118 ? 16.21930  -3.34804  -3.94265  1.000 100.88224 ? 125 GLY A N   1 
ATOM   850  C CA  . GLY A 1 118 ? 15.10285  -3.28674  -3.02802  1.000 96.30771  ? 125 GLY A CA  1 
ATOM   851  C C   . GLY A 1 118 ? 13.82601  -3.94376  -3.52033  1.000 96.68859  ? 125 GLY A C   1 
ATOM   852  O O   . GLY A 1 118 ? 13.04166  -4.43018  -2.69878  1.000 93.71873  ? 125 GLY A O   1 
ATOM   853  N N   . ALA A 1 119 ? 13.59726  -3.97275  -4.83096  1.000 86.82137  ? 126 ALA A N   1 
ATOM   854  C CA  . ALA A 1 119 ? 12.32157  -4.43921  -5.35405  1.000 86.91850  ? 126 ALA A CA  1 
ATOM   855  C C   . ALA A 1 119 ? 12.17200  -5.95082  -5.19073  1.000 87.68856  ? 126 ALA A C   1 
ATOM   856  O O   . ALA A 1 119 ? 13.13497  -6.67906  -4.92868  1.000 89.53989  ? 126 ALA A O   1 
ATOM   857  C CB  . ALA A 1 119 ? 12.17650  -4.05793  -6.82821  1.000 80.06427  ? 126 ALA A CB  1 
ATOM   858  N N   . ASP A 1 120 ? 10.93304  -6.41671  -5.34999  1.000 74.75851  ? 127 ASP A N   1 
ATOM   859  C CA  . ASP A 1 120 ? 10.59322  -7.83134  -5.27697  1.000 68.05245  ? 127 ASP A CA  1 
ATOM   860  C C   . ASP A 1 120 ? 9.84834   -8.23368  -6.54577  1.000 66.80279  ? 127 ASP A C   1 
ATOM   861  O O   . ASP A 1 120 ? 9.54943   -7.40352  -7.40841  1.000 64.75060  ? 127 ASP A O   1 
ATOM   862  C CB  . ASP A 1 120 ? 9.75856   -8.14416  -4.02782  1.000 80.50008  ? 127 ASP A CB  1 
ATOM   863  C CG  . ASP A 1 120 ? 8.29587   -7.80232  -4.20457  1.000 76.59455  ? 127 ASP A CG  1 
ATOM   864  O OD1 . ASP A 1 120 ? 7.99594   -6.65928  -4.60540  1.000 84.22425  ? 127 ASP A OD1 1 
ATOM   865  O OD2 . ASP A 1 120 ? 7.44587   -8.67909  -3.94662  1.000 73.20048  ? 127 ASP A OD2 1 
ATOM   866  N N   . ILE A 1 121 ? 9.52847   -9.52674  -6.64153  1.000 65.31888  ? 128 ILE A N   1 
ATOM   867  C CA  . ILE A 1 121 ? 9.06696   -10.09883 -7.90428  1.000 61.51752  ? 128 ILE A CA  1 
ATOM   868  C C   . ILE A 1 121 ? 7.67508   -9.59493  -8.28051  1.000 65.65848  ? 128 ILE A C   1 
ATOM   869  O O   . ILE A 1 121 ? 7.36161   -9.45923  -9.47051  1.000 58.89166  ? 128 ILE A O   1 
ATOM   870  C CB  . ILE A 1 121 ? 9.12484   -11.63871 -7.82751  1.000 61.52754  ? 128 ILE A CB  1 
ATOM   871  C CG1 . ILE A 1 121 ? 10.57798  -12.11720 -7.88933  1.000 56.41700  ? 128 ILE A CG1 1 
ATOM   872  C CG2 . ILE A 1 121 ? 8.32183   -12.28713 -8.94374  1.000 49.16648  ? 128 ILE A CG2 1 
ATOM   873  C CD1 . ILE A 1 121 ? 10.73553  -13.61419 -7.74231  1.000 55.88198  ? 128 ILE A CD1 1 
ATOM   874  N N   . SER A 1 122 ? 6.82883   -9.28112  -7.29509  1.000 65.73788  ? 129 SER A N   1 
ATOM   875  C CA  . SER A 1 122 ? 5.45741   -8.86835  -7.58866  1.000 65.40649  ? 129 SER A CA  1 
ATOM   876  C C   . SER A 1 122 ? 5.37994   -7.61100  -8.44567  1.000 61.18890  ? 129 SER A C   1 
ATOM   877  O O   . SER A 1 122 ? 4.30824   -7.31601  -8.98484  1.000 70.44633  ? 129 SER A O   1 
ATOM   878  C CB  . SER A 1 122 ? 4.67612   -8.64253  -6.29075  1.000 57.05553  ? 129 SER A CB  1 
ATOM   879  O OG  . SER A 1 122 ? 5.04688   -7.42572  -5.66971  1.000 61.67360  ? 129 SER A OG  1 
ATOM   880  N N   . MET A 1 123 ? 6.47668   -6.87128  -8.59069  1.000 60.15584  ? 130 MET A N   1 
ATOM   881  C CA  . MET A 1 123 ? 6.50913   -5.66155  -9.39809  1.000 57.89459  ? 130 MET A CA  1 
ATOM   882  C C   . MET A 1 123 ? 6.93694   -5.92717  -10.84005 1.000 58.51257  ? 130 MET A C   1 
ATOM   883  O O   . MET A 1 123 ? 7.34332   -4.99107  -11.53659 1.000 58.61571  ? 130 MET A O   1 
ATOM   884  C CB  . MET A 1 123 ? 7.43389   -4.63108  -8.74442  1.000 61.92020  ? 130 MET A CB  1 
ATOM   885  C CG  . MET A 1 123 ? 7.62738   -4.86325  -7.24814  1.000 69.23463  ? 130 MET A CG  1 
ATOM   886  S SD  . MET A 1 123 ? 8.63779   -3.62871  -6.40239  1.000 79.27100  ? 130 MET A SD  1 
ATOM   887  C CE  . MET A 1 123 ? 7.74912   -2.12306  -6.78521  1.000 73.58164  ? 130 MET A CE  1 
ATOM   888  N N   . ILE A 1 124 ? 6.83256   -7.17673  -11.30451 1.000 58.21692  ? 131 ILE A N   1 
ATOM   889  C CA  . ILE A 1 124 ? 7.32891   -7.54484  -12.63001 1.000 55.81541  ? 131 ILE A CA  1 
ATOM   890  C C   . ILE A 1 124 ? 6.54911   -6.84185  -13.73615 1.000 55.15027  ? 131 ILE A C   1 
ATOM   891  O O   . ILE A 1 124 ? 7.11625   -6.50030  -14.78196 1.000 54.51965  ? 131 ILE A O   1 
ATOM   892  C CB  . ILE A 1 124 ? 7.28651   -9.07675  -12.79843 1.000 53.34812  ? 131 ILE A CB  1 
ATOM   893  C CG1 . ILE A 1 124 ? 7.77301   -9.48843  -14.18914 1.000 46.35208  ? 131 ILE A CG1 1 
ATOM   894  C CG2 . ILE A 1 124 ? 5.88002   -9.61036  -12.54974 1.000 50.63214  ? 131 ILE A CG2 1 
ATOM   895  C CD1 . ILE A 1 124 ? 7.94454   -10.98135 -14.35026 1.000 42.98596  ? 131 ILE A CD1 1 
ATOM   896  N N   . GLY A 1 125 ? 5.24830   -6.61615  -13.53644 1.000 58.29662  ? 132 GLY A N   1 
ATOM   897  C CA  . GLY A 1 125 ? 4.43618   -5.98408  -14.56089 1.000 49.98585  ? 132 GLY A CA  1 
ATOM   898  C C   . GLY A 1 125 ? 4.80483   -4.54327  -14.84340 1.000 56.32529  ? 132 GLY A C   1 
ATOM   899  O O   . GLY A 1 125 ? 4.48703   -4.03308  -15.92321 1.000 60.20476  ? 132 GLY A O   1 
ATOM   900  N N   . GLN A 1 126 ? 5.46884   -3.87546  -13.89820 1.000 55.80353  ? 133 GLN A N   1 
ATOM   901  C CA  . GLN A 1 126 ? 5.89077   -2.49378  -14.09247 1.000 65.28336  ? 133 GLN A CA  1 
ATOM   902  C C   . GLN A 1 126 ? 7.00074   -2.35190  -15.12439 1.000 65.58484  ? 133 GLN A C   1 
ATOM   903  O O   . GLN A 1 126 ? 7.33293   -1.22249  -15.49862 1.000 63.09095  ? 133 GLN A O   1 
ATOM   904  C CB  . GLN A 1 126 ? 6.34727   -1.89689  -12.76026 1.000 64.75405  ? 133 GLN A CB  1 
ATOM   905  C CG  . GLN A 1 126 ? 5.24952   -1.78350  -11.71867 1.000 64.43227  ? 133 GLN A CG  1 
ATOM   906  C CD  . GLN A 1 126 ? 5.76893   -1.27111  -10.39222 1.000 74.52380  ? 133 GLN A CD  1 
ATOM   907  O OE1 . GLN A 1 126 ? 5.74964   -1.98440  -9.38992  1.000 83.12366  ? 133 GLN A OE1 1 
ATOM   908  N NE2 . GLN A 1 126 ? 6.24947   -0.03261  -10.38143 1.000 73.56181  ? 133 GLN A NE2 1 
ATOM   909  N N   . PHE A 1 127 ? 7.57727   -3.45958  -15.58717 1.000 63.40948  ? 134 PHE A N   1 
ATOM   910  C CA  . PHE A 1 127 ? 8.65157   -3.43811  -16.57003 1.000 66.02200  ? 134 PHE A CA  1 
ATOM   911  C C   . PHE A 1 127 ? 8.25590   -4.12046  -17.87199 1.000 60.17117  ? 134 PHE A C   1 
ATOM   912  O O   . PHE A 1 127 ? 9.11394   -4.32659  -18.73869 1.000 61.21044  ? 134 PHE A O   1 
ATOM   913  C CB  . PHE A 1 127 ? 9.90552   -4.08560  -15.98059 1.000 60.80900  ? 134 PHE A CB  1 
ATOM   914  C CG  . PHE A 1 127 ? 10.21486  -3.62745  -14.58564 1.000 67.55596  ? 134 PHE A CG  1 
ATOM   915  C CD1 . PHE A 1 127 ? 9.88326   -4.41101  -13.49259 1.000 68.22823  ? 134 PHE A CD1 1 
ATOM   916  C CD2 . PHE A 1 127 ? 10.85036  -2.41506  -14.36712 1.000 79.83275  ? 134 PHE A CD2 1 
ATOM   917  C CE1 . PHE A 1 127 ? 10.16591  -3.98583  -12.20636 1.000 65.88328  ? 134 PHE A CE1 1 
ATOM   918  C CE2 . PHE A 1 127 ? 11.14192  -1.98932  -13.08381 1.000 77.48968  ? 134 PHE A CE2 1 
ATOM   919  C CZ  . PHE A 1 127 ? 10.79964  -2.77662  -12.00305 1.000 74.83510  ? 134 PHE A CZ  1 
ATOM   920  N N   . GLY A 1 128 ? 6.98326   -4.47983  -18.02847 1.000 50.67611  ? 135 GLY A N   1 
ATOM   921  C CA  . GLY A 1 128 ? 6.47918   -4.98980  -19.28567 1.000 48.07432  ? 135 GLY A CA  1 
ATOM   922  C C   . GLY A 1 128 ? 6.70886   -6.46106  -19.54394 1.000 50.94689  ? 135 GLY A C   1 
ATOM   923  O O   . GLY A 1 128 ? 6.40549   -6.93120  -20.64631 1.000 52.21946  ? 135 GLY A O   1 
ATOM   924  N N   . VAL A 1 129 ? 7.22140   -7.21073  -18.57123 1.000 49.01417  ? 136 VAL A N   1 
ATOM   925  C CA  . VAL A 1 129 ? 7.51027   -8.62368  -18.78792 1.000 43.69838  ? 136 VAL A CA  1 
ATOM   926  C C   . VAL A 1 129 ? 6.66088   -9.47288  -17.85201 1.000 47.91801  ? 136 VAL A C   1 
ATOM   927  O O   . VAL A 1 129 ? 7.07587   -10.55863 -17.43063 1.000 45.75763  ? 136 VAL A O   1 
ATOM   928  C CB  . VAL A 1 129 ? 9.01154   -8.91261  -18.60467 1.000 44.56689  ? 136 VAL A CB  1 
ATOM   929  C CG1 . VAL A 1 129 ? 9.80269   -8.28685  -19.74066 1.000 45.46888  ? 136 VAL A CG1 1 
ATOM   930  C CG2 . VAL A 1 129 ? 9.49752   -8.38026  -17.26752 1.000 46.08402  ? 136 VAL A CG2 1 
ATOM   931  N N   . GLY A 1 130 ? 5.45433   -8.99114  -17.54065 1.000 49.51868  ? 137 GLY A N   1 
ATOM   932  C CA  . GLY A 1 130 ? 4.56434   -9.70100  -16.63865 1.000 43.45347  ? 137 GLY A CA  1 
ATOM   933  C C   . GLY A 1 130 ? 4.14167   -11.07452 -17.11937 1.000 43.25535  ? 137 GLY A C   1 
ATOM   934  O O   . GLY A 1 130 ? 3.81117   -11.93009 -16.28989 1.000 39.97215  ? 137 GLY A O   1 
ATOM   935  N N   . PHE A 1 131 ? 4.14722   -11.30599 -18.43688 1.000 39.90602  ? 138 PHE A N   1 
ATOM   936  C CA  . PHE A 1 131 ? 3.71253   -12.59739 -18.96537 1.000 40.97692  ? 138 PHE A CA  1 
ATOM   937  C C   . PHE A 1 131 ? 4.52408   -13.74473 -18.37608 1.000 42.25056  ? 138 PHE A C   1 
ATOM   938  O O   . PHE A 1 131 ? 3.97314   -14.80722 -18.06080 1.000 37.18066  ? 138 PHE A O   1 
ATOM   939  C CB  . PHE A 1 131 ? 3.81488   -12.61178 -20.49150 1.000 33.45164  ? 138 PHE A CB  1 
ATOM   940  C CG  . PHE A 1 131 ? 3.79137   -13.99740 -21.08822 1.000 36.06183  ? 138 PHE A CG  1 
ATOM   941  C CD1 . PHE A 1 131 ? 2.59246   -14.67704 -21.25420 1.000 32.78399  ? 138 PHE A CD1 1 
ATOM   942  C CD2 . PHE A 1 131 ? 4.96909   -14.61864 -21.48686 1.000 41.19866  ? 138 PHE A CD2 1 
ATOM   943  C CE1 . PHE A 1 131 ? 2.56673   -15.94762 -21.80363 1.000 30.72011  ? 138 PHE A CE1 1 
ATOM   944  C CE2 . PHE A 1 131 ? 4.95339   -15.89008 -22.03459 1.000 36.26360  ? 138 PHE A CE2 1 
ATOM   945  C CZ  . PHE A 1 131 ? 3.75087   -16.55706 -22.19249 1.000 42.29530  ? 138 PHE A CZ  1 
ATOM   946  N N   . TYR A 1 132 ? 5.83507   -13.54979 -18.21463 1.000 37.33456  ? 139 TYR A N   1 
ATOM   947  C CA  . TYR A 1 132 ? 6.69366   -14.62534 -17.73597 1.000 38.55747  ? 139 TYR A CA  1 
ATOM   948  C C   . TYR A 1 132 ? 6.43803   -14.98543 -16.27704 1.000 42.36237  ? 139 TYR A C   1 
ATOM   949  O O   . TYR A 1 132 ? 6.95189   -16.00983 -15.81311 1.000 39.05742  ? 139 TYR A O   1 
ATOM   950  C CB  . TYR A 1 132 ? 8.15939   -14.24753 -17.95631 1.000 39.42780  ? 139 TYR A CB  1 
ATOM   951  C CG  . TYR A 1 132 ? 8.47169   -13.99427 -19.41410 1.000 42.35359  ? 139 TYR A CG  1 
ATOM   952  C CD1 . TYR A 1 132 ? 8.68251   -15.04867 -20.29384 1.000 38.03367  ? 139 TYR A CD1 1 
ATOM   953  C CD2 . TYR A 1 132 ? 8.52751   -12.70100 -19.91824 1.000 42.38427  ? 139 TYR A CD2 1 
ATOM   954  C CE1 . TYR A 1 132 ? 8.95510   -14.81923 -21.63202 1.000 36.53437  ? 139 TYR A CE1 1 
ATOM   955  C CE2 . TYR A 1 132 ? 8.79852   -12.46382 -21.25229 1.000 34.54229  ? 139 TYR A CE2 1 
ATOM   956  C CZ  . TYR A 1 132 ? 9.01148   -13.52561 -22.10435 1.000 38.14821  ? 139 TYR A CZ  1 
ATOM   957  O OH  . TYR A 1 132 ? 9.28180   -13.28873 -23.43331 1.000 50.54855  ? 139 TYR A OH  1 
ATOM   958  N N   . SER A 1 133 ? 5.64304   -14.19388 -15.55107 1.000 38.33042  ? 140 SER A N   1 
ATOM   959  C CA  . SER A 1 133 ? 5.22327   -14.60468 -14.21741 1.000 39.84657  ? 140 SER A CA  1 
ATOM   960  C C   . SER A 1 133 ? 4.36753   -15.86346 -14.24488 1.000 41.51201  ? 140 SER A C   1 
ATOM   961  O O   . SER A 1 133 ? 4.13444   -16.45474 -13.18528 1.000 38.27698  ? 140 SER A O   1 
ATOM   962  C CB  . SER A 1 133 ? 4.46355   -13.47080 -13.52095 1.000 36.82811  ? 140 SER A CB  1 
ATOM   963  O OG  . SER A 1 133 ? 3.17747   -13.27785 -14.08522 1.000 44.64418  ? 140 SER A OG  1 
ATOM   964  N N   . ALA A 1 134 ? 3.90728   -16.28583 -15.42746 1.000 34.24875  ? 141 ALA A N   1 
ATOM   965  C CA  . ALA A 1 134 ? 3.17557   -17.54178 -15.54505 1.000 36.00622  ? 141 ALA A CA  1 
ATOM   966  C C   . ALA A 1 134 ? 3.99041   -18.72180 -15.03459 1.000 37.26471  ? 141 ALA A C   1 
ATOM   967  O O   . ALA A 1 134 ? 3.42200   -19.69494 -14.52484 1.000 42.53064  ? 141 ALA A O   1 
ATOM   968  C CB  . ALA A 1 134 ? 2.77039   -17.77506 -16.99979 1.000 34.91511  ? 141 ALA A CB  1 
ATOM   969  N N   . TYR A 1 135 ? 5.31472   -18.65825 -15.15610 1.000 39.70484  ? 142 TYR A N   1 
ATOM   970  C CA  . TYR A 1 135 ? 6.16341   -19.75663 -14.71621 1.000 41.12846  ? 142 TYR A CA  1 
ATOM   971  C C   . TYR A 1 135 ? 6.35414   -19.78487 -13.20603 1.000 39.43367  ? 142 TYR A C   1 
ATOM   972  O O   . TYR A 1 135 ? 7.06138   -20.66374 -12.70236 1.000 45.80109  ? 142 TYR A O   1 
ATOM   973  C CB  . TYR A 1 135 ? 7.50747   -19.69103 -15.44514 1.000 33.08507  ? 142 TYR A CB  1 
ATOM   974  C CG  . TYR A 1 135 ? 7.35186   -20.03880 -16.90530 1.000 37.58464  ? 142 TYR A CG  1 
ATOM   975  C CD1 . TYR A 1 135 ? 7.40128   -21.35788 -17.33137 1.000 39.18482  ? 142 TYR A CD1 1 
ATOM   976  C CD2 . TYR A 1 135 ? 7.09560   -19.05489 -17.84979 1.000 39.04854  ? 142 TYR A CD2 1 
ATOM   977  C CE1 . TYR A 1 135 ? 7.23388   -21.68654 -18.66259 1.000 37.71422  ? 142 TYR A CE1 1 
ATOM   978  C CE2 . TYR A 1 135 ? 6.92514   -19.37273 -19.18360 1.000 40.41240  ? 142 TYR A CE2 1 
ATOM   979  C CZ  . TYR A 1 135 ? 6.99509   -20.69041 -19.58443 1.000 43.84031  ? 142 TYR A CZ  1 
ATOM   980  O OH  . TYR A 1 135 ? 6.82411   -21.01109 -20.91176 1.000 43.22170  ? 142 TYR A OH  1 
ATOM   981  N N   . LEU A 1 136 ? 5.73198   -18.85521 -12.47612 1.000 40.89752  ? 143 LEU A N   1 
ATOM   982  C CA  . LEU A 1 136 ? 5.63955   -18.99084 -11.02780 1.000 40.41771  ? 143 LEU A CA  1 
ATOM   983  C C   . LEU A 1 136 ? 4.77666   -20.18167 -10.63735 1.000 44.01825  ? 143 LEU A C   1 
ATOM   984  O O   . LEU A 1 136 ? 4.97633   -20.76709 -9.56704  1.000 45.94786  ? 143 LEU A O   1 
ATOM   985  C CB  . LEU A 1 136 ? 5.06376   -17.71614 -10.41233 1.000 47.34763  ? 143 LEU A CB  1 
ATOM   986  C CG  . LEU A 1 136 ? 5.95852   -16.48286 -10.33253 1.000 42.34185  ? 143 LEU A CG  1 
ATOM   987  C CD1 . LEU A 1 136 ? 5.12010   -15.26761 -10.00028 1.000 40.36793  ? 143 LEU A CD1 1 
ATOM   988  C CD2 . LEU A 1 136 ? 7.04076   -16.68584 -9.28913  1.000 40.61848  ? 143 LEU A CD2 1 
ATOM   989  N N   . VAL A 1 137 ? 3.81483   -20.54817 -11.48348 1.000 38.14107  ? 144 VAL A N   1 
ATOM   990  C CA  . VAL A 1 137 ? 2.87271   -21.61407 -11.15565 1.000 39.73251  ? 144 VAL A CA  1 
ATOM   991  C C   . VAL A 1 137 ? 2.78876   -22.69267 -12.22105 1.000 40.51883  ? 144 VAL A C   1 
ATOM   992  O O   . VAL A 1 137 ? 2.28340   -23.79396 -11.93665 1.000 43.69329  ? 144 VAL A O   1 
ATOM   993  C CB  . VAL A 1 137 ? 1.46908   -21.02575 -10.88712 1.000 43.57728  ? 144 VAL A CB  1 
ATOM   994  C CG1 . VAL A 1 137 ? 1.48661   -20.15292 -9.63953  1.000 43.81493  ? 144 VAL A CG1 1 
ATOM   995  C CG2 . VAL A 1 137 ? 0.96776   -20.25425 -12.10300 1.000 35.52708  ? 144 VAL A CG2 1 
ATOM   996  N N   . ALA A 1 138 ? 3.25838   -22.45545 -13.44093 1.000 38.71368  ? 145 ALA A N   1 
ATOM   997  C CA  . ALA A 1 138 ? 3.10686   -23.39470 -14.54096 1.000 42.01987  ? 145 ALA A CA  1 
ATOM   998  C C   . ALA A 1 138 ? 4.44748   -24.02174 -14.89529 1.000 41.82187  ? 145 ALA A C   1 
ATOM   999  O O   . ALA A 1 138 ? 5.46712   -23.32954 -14.96964 1.000 49.42337  ? 145 ALA A O   1 
ATOM   1000 C CB  . ALA A 1 138 ? 2.52100   -22.69902 -15.77198 1.000 33.20312  ? 145 ALA A CB  1 
ATOM   1001 N N   . GLU A 1 139 ? 4.44129   -25.33842 -15.10841 1.000 38.57012  ? 146 GLU A N   1 
ATOM   1002 C CA  . GLU A 1 139 ? 5.61722   -26.01638 -15.63816 1.000 43.75028  ? 146 GLU A CA  1 
ATOM   1003 C C   . GLU A 1 139 ? 5.72919   -25.87123 -17.14767 1.000 46.52898  ? 146 GLU A C   1 
ATOM   1004 O O   . GLU A 1 139 ? 6.81753   -26.07224 -17.70054 1.000 46.58655  ? 146 GLU A O   1 
ATOM   1005 C CB  . GLU A 1 139 ? 5.59055   -27.50248 -15.27094 1.000 47.18103  ? 146 GLU A CB  1 
ATOM   1006 C CG  . GLU A 1 139 ? 4.57009   -28.30576 -16.05946 1.000 58.77759  ? 146 GLU A CG  1 
ATOM   1007 C CD  . GLU A 1 139 ? 4.17047   -29.59566 -15.36989 1.000 67.80840  ? 146 GLU A CD  1 
ATOM   1008 O OE1 . GLU A 1 139 ? 4.71597   -29.88896 -14.28316 1.000 68.92218  ? 146 GLU A OE1 1 
ATOM   1009 O OE2 . GLU A 1 139 ? 3.30687   -30.31617 -15.91723 1.000 71.21828  ? 146 GLU A OE2 1 
ATOM   1010 N N   . LYS A 1 140 ? 4.63276   -25.51794 -17.81475 1.000 41.37080  ? 147 LYS A N   1 
ATOM   1011 C CA  . LYS A 1 140 ? 4.59683   -25.38659 -19.26198 1.000 41.64634  ? 147 LYS A CA  1 
ATOM   1012 C C   . LYS A 1 140 ? 3.47695   -24.42692 -19.62338 1.000 42.64473  ? 147 LYS A C   1 
ATOM   1013 O O   . LYS A 1 140 ? 2.41258   -24.45423 -18.99994 1.000 45.56715  ? 147 LYS A O   1 
ATOM   1014 C CB  . LYS A 1 140 ? 4.37432   -26.74518 -19.92602 1.000 42.34212  ? 147 LYS A CB  1 
ATOM   1015 C CG  . LYS A 1 140 ? 4.15811   -26.69109 -21.41480 1.000 47.04809  ? 147 LYS A CG  1 
ATOM   1016 C CD  . LYS A 1 140 ? 4.15847   -28.09294 -21.95620 1.000 44.57128  ? 147 LYS A CD  1 
ATOM   1017 C CE  . LYS A 1 140 ? 2.89221   -28.36486 -22.73338 1.000 53.94551  ? 147 LYS A CE  1 
ATOM   1018 N NZ  . LYS A 1 140 ? 2.77536   -29.81057 -23.07023 1.000 56.83115  ? 147 LYS A NZ  1 
ATOM   1019 N N   . VAL A 1 141 ? 3.71922   -23.58519 -20.62603 1.000 36.64042  ? 148 VAL A N   1 
ATOM   1020 C CA  . VAL A 1 141 ? 2.74846   -22.58920 -21.05990 1.000 33.47963  ? 148 VAL A CA  1 
ATOM   1021 C C   . VAL A 1 141 ? 2.52572   -22.74003 -22.55722 1.000 42.30825  ? 148 VAL A C   1 
ATOM   1022 O O   . VAL A 1 141 ? 3.48813   -22.80730 -23.32953 1.000 40.26789  ? 148 VAL A O   1 
ATOM   1023 C CB  . VAL A 1 141 ? 3.20397   -21.15713 -20.72286 1.000 36.18289  ? 148 VAL A CB  1 
ATOM   1024 C CG1 . VAL A 1 141 ? 2.15130   -20.14981 -21.16460 1.000 34.15824  ? 148 VAL A CG1 1 
ATOM   1025 C CG2 . VAL A 1 141 ? 3.48200   -21.02367 -19.23161 1.000 39.38400  ? 148 VAL A CG2 1 
ATOM   1026 N N   . THR A 1 142 ? 1.25873   -22.79775 -22.96220 1.000 43.59629  ? 149 THR A N   1 
ATOM   1027 C CA  . THR A 1 142 ? 0.86794   -22.81932 -24.36459 1.000 35.62050  ? 149 THR A CA  1 
ATOM   1028 C C   . THR A 1 142 ? 0.05755   -21.56735 -24.66292 1.000 40.39652  ? 149 THR A C   1 
ATOM   1029 O O   . THR A 1 142 ? -0.88158  -21.24355 -23.92813 1.000 40.32521  ? 149 THR A O   1 
ATOM   1030 C CB  . THR A 1 142 ? 0.04666   -24.06838 -24.69758 1.000 44.06946  ? 149 THR A CB  1 
ATOM   1031 O OG1 . THR A 1 142 ? 0.74267   -25.23590 -24.24743 1.000 42.16260  ? 149 THR A OG1 1 
ATOM   1032 C CG2 . THR A 1 142 ? -0.18444  -24.17051 -26.20001 1.000 38.01435  ? 149 THR A CG2 1 
ATOM   1033 N N   . VAL A 1 143 ? 0.41751   -20.86755 -25.73507 1.000 41.31688  ? 150 VAL A N   1 
ATOM   1034 C CA  . VAL A 1 143 ? -0.24921  -19.63154 -26.12761 1.000 33.89558  ? 150 VAL A CA  1 
ATOM   1035 C C   . VAL A 1 143 ? -0.80545  -19.81203 -27.53162 1.000 39.44366  ? 150 VAL A C   1 
ATOM   1036 O O   . VAL A 1 143 ? -0.04556  -20.03203 -28.48326 1.000 40.18763  ? 150 VAL A O   1 
ATOM   1037 C CB  . VAL A 1 143 ? 0.69499   -18.42183 -26.06571 1.000 38.44959  ? 150 VAL A CB  1 
ATOM   1038 C CG1 . VAL A 1 143 ? -0.01115  -17.17672 -26.57568 1.000 33.87885  ? 150 VAL A CG1 1 
ATOM   1039 C CG2 . VAL A 1 143 ? 1.19595   -18.21325 -24.64658 1.000 38.96964  ? 150 VAL A CG2 1 
ATOM   1040 N N   . ILE A 1 144 ? -2.12899  -19.72863 -27.65432 1.000 38.86919  ? 151 ILE A N   1 
ATOM   1041 C CA  . ILE A 1 144 ? -2.81846  -19.74212 -28.93844 1.000 43.72666  ? 151 ILE A CA  1 
ATOM   1042 C C   . ILE A 1 144 ? -3.28476  -18.32349 -29.22414 1.000 44.84550  ? 151 ILE A C   1 
ATOM   1043 O O   . ILE A 1 144 ? -3.96439  -17.71005 -28.39264 1.000 42.40376  ? 151 ILE A O   1 
ATOM   1044 C CB  . ILE A 1 144 ? -4.00881  -20.71723 -28.92743 1.000 47.11877  ? 151 ILE A CB  1 
ATOM   1045 C CG1 . ILE A 1 144 ? -3.60550  -22.06828 -28.33020 1.000 41.04227  ? 151 ILE A CG1 1 
ATOM   1046 C CG2 . ILE A 1 144 ? -4.56255  -20.88855 -30.33419 1.000 47.76704  ? 151 ILE A CG2 1 
ATOM   1047 C CD1 . ILE A 1 144 ? -2.83487  -22.95035 -29.26968 1.000 46.17640  ? 151 ILE A CD1 1 
ATOM   1048 N N   . THR A 1 145 ? -2.92593  -17.79465 -30.39050 1.000 36.10423  ? 152 THR A N   1 
ATOM   1049 C CA  . THR A 1 145 ? -3.23340  -16.40692 -30.69561 1.000 42.24118  ? 152 THR A CA  1 
ATOM   1050 C C   . THR A 1 145 ? -3.64818  -16.27797 -32.15381 1.000 49.50600  ? 152 THR A C   1 
ATOM   1051 O O   . THR A 1 145 ? -3.25648  -17.08214 -33.00383 1.000 51.30845  ? 152 THR A O   1 
ATOM   1052 C CB  . THR A 1 145 ? -2.03745  -15.49024 -30.37507 1.000 44.92141  ? 152 THR A CB  1 
ATOM   1053 O OG1 . THR A 1 145 ? -2.41055  -14.11893 -30.56178 1.000 48.97022  ? 152 THR A OG1 1 
ATOM   1054 C CG2 . THR A 1 145 ? -0.83659  -15.82886 -31.25043 1.000 42.25572  ? 152 THR A CG2 1 
ATOM   1055 N N   . LYS A 1 146 ? -4.46969  -15.26503 -32.42552 1.000 46.83396  ? 153 LYS A N   1 
ATOM   1056 C CA  . LYS A 1 146 ? -4.94528  -14.99107 -33.77861 1.000 43.08931  ? 153 LYS A CA  1 
ATOM   1057 C C   . LYS A 1 146 ? -5.07036  -13.48306 -33.94015 1.000 49.47205  ? 153 LYS A C   1 
ATOM   1058 O O   . LYS A 1 146 ? -5.91828  -12.85317 -33.30098 1.000 51.45021  ? 153 LYS A O   1 
ATOM   1059 C CB  . LYS A 1 146 ? -6.27793  -15.68168 -34.04911 1.000 51.51962  ? 153 LYS A CB  1 
ATOM   1060 C CG  . LYS A 1 146 ? -6.92866  -15.29261 -35.37578 1.000 56.14342  ? 153 LYS A CG  1 
ATOM   1061 C CD  . LYS A 1 146 ? -6.11921  -15.78055 -36.56922 1.000 54.41868  ? 153 LYS A CD  1 
ATOM   1062 C CE  . LYS A 1 146 ? -6.83941  -15.49948 -37.88548 1.000 53.72629  ? 153 LYS A CE  1 
ATOM   1063 N NZ  . LYS A 1 146 ? -6.96057  -14.04303 -38.18500 1.000 54.76351  ? 153 LYS A NZ  1 
ATOM   1064 N N   . HIS A 1 147 ? -4.22083  -12.91275 -34.78329 1.000 53.81415  ? 154 HIS A N   1 
ATOM   1065 C CA  . HIS A 1 147 ? -4.26740  -11.50542 -35.14389 1.000 50.56438  ? 154 HIS A CA  1 
ATOM   1066 C C   . HIS A 1 147 ? -4.99003  -11.36207 -36.47890 1.000 53.35224  ? 154 HIS A C   1 
ATOM   1067 O O   . HIS A 1 147 ? -5.04089  -12.30150 -37.27704 1.000 58.86877  ? 154 HIS A O   1 
ATOM   1068 C CB  . HIS A 1 147 ? -2.84593  -10.92930 -35.21922 1.000 51.84258  ? 154 HIS A CB  1 
ATOM   1069 C CG  . HIS A 1 147 ? -2.78938  -9.43701  -35.34779 1.000 49.40186  ? 154 HIS A CG  1 
ATOM   1070 N ND1 . HIS A 1 147 ? -2.98294  -8.78220  -36.54520 1.000 51.24150  ? 154 HIS A ND1 1 
ATOM   1071 C CD2 . HIS A 1 147 ? -2.55470  -8.47279  -34.42646 1.000 48.14108  ? 154 HIS A CD2 1 
ATOM   1072 C CE1 . HIS A 1 147 ? -2.87285  -7.47938  -36.35551 1.000 52.69922  ? 154 HIS A CE1 1 
ATOM   1073 N NE2 . HIS A 1 147 ? -2.61475  -7.26501  -35.07822 1.000 54.11362  ? 154 HIS A NE2 1 
ATOM   1074 N N   . ASN A 1 148 ? -5.56905  -10.18034 -36.70756 1.000 54.25920  ? 155 ASN A N   1 
ATOM   1075 C CA  . ASN A 1 148 ? -6.33632  -9.95884  -37.93073 1.000 57.87128  ? 155 ASN A CA  1 
ATOM   1076 C C   . ASN A 1 148 ? -5.46700  -10.12113 -39.17180 1.000 58.65229  ? 155 ASN A C   1 
ATOM   1077 O O   . ASN A 1 148 ? -5.93643  -10.60418 -40.20829 1.000 67.37252  ? 155 ASN A O   1 
ATOM   1078 C CB  . ASN A 1 148 ? -6.97017  -8.56703  -37.91411 1.000 59.18373  ? 155 ASN A CB  1 
ATOM   1079 C CG  . ASN A 1 148 ? -8.28367  -8.52603  -37.15671 1.000 62.35584  ? 155 ASN A CG  1 
ATOM   1080 O OD1 . ASN A 1 148 ? -8.96072  -9.54211  -36.99639 1.000 63.01947  ? 155 ASN A OD1 1 
ATOM   1081 N ND2 . ASN A 1 148 ? -8.65635  -7.33929  -36.69539 1.000 71.06572  ? 155 ASN A ND2 1 
ATOM   1082 N N   . ASP A 1 149 ? -4.19871  -9.72761  -39.08503 1.000 58.88168  ? 156 ASP A N   1 
ATOM   1083 C CA  . ASP A 1 149 ? -3.29921  -9.69999  -40.22983 1.000 62.76670  ? 156 ASP A CA  1 
ATOM   1084 C C   . ASP A 1 149 ? -2.49948  -10.98792 -40.40300 1.000 64.17362  ? 156 ASP A C   1 
ATOM   1085 O O   . ASP A 1 149 ? -1.60144  -11.02957 -41.25082 1.000 64.64627  ? 156 ASP A O   1 
ATOM   1086 C CB  . ASP A 1 149 ? -2.33522  -8.51448  -40.10901 1.000 65.54670  ? 156 ASP A CB  1 
ATOM   1087 C CG  . ASP A 1 149 ? -3.04615  -7.17246  -40.14627 1.000 74.69107  ? 156 ASP A CG  1 
ATOM   1088 O OD1 . ASP A 1 149 ? -4.24022  -7.13437  -40.51099 1.000 76.11423  ? 156 ASP A OD1 1 
ATOM   1089 O OD2 . ASP A 1 149 ? -2.40843  -6.15354  -39.80867 1.000 79.16530  ? 156 ASP A OD2 1 
ATOM   1090 N N   . ASP A 1 150 ? -2.79899  -12.03523 -39.63561 1.000 62.30317  ? 157 ASP A N   1 
ATOM   1091 C CA  . ASP A 1 150 ? -1.99355  -13.24994 -39.66503 1.000 57.93100  ? 157 ASP A CA  1 
ATOM   1092 C C   . ASP A 1 150 ? -2.88532  -14.45691 -39.39073 1.000 60.44188  ? 157 ASP A C   1 
ATOM   1093 O O   . ASP A 1 150 ? -4.08669  -14.32595 -39.14167 1.000 60.85598  ? 157 ASP A O   1 
ATOM   1094 C CB  . ASP A 1 150 ? -0.84418  -13.15771 -38.65555 1.000 56.41138  ? 157 ASP A CB  1 
ATOM   1095 C CG  . ASP A 1 150 ? 0.34377   -14.01705 -39.03855 1.000 61.87958  ? 157 ASP A CG  1 
ATOM   1096 O OD1 . ASP A 1 150 ? 0.17260   -14.95503 -39.84567 1.000 59.97802  ? 157 ASP A OD1 1 
ATOM   1097 O OD2 . ASP A 1 150 ? 1.45283   -13.74848 -38.53188 1.000 63.67802  ? 157 ASP A OD2 1 
ATOM   1098 N N   . GLU A 1 151 ? -2.28062  -15.64396 -39.44464 1.000 62.01971  ? 158 GLU A N   1 
ATOM   1099 C CA  . GLU A 1 151 ? -2.96458  -16.89714 -39.16699 1.000 57.72908  ? 158 GLU A CA  1 
ATOM   1100 C C   . GLU A 1 151 ? -2.95130  -17.19133 -37.66723 1.000 57.31710  ? 158 GLU A C   1 
ATOM   1101 O O   . GLU A 1 151 ? -2.47466  -16.39934 -36.85035 1.000 56.83132  ? 158 GLU A O   1 
ATOM   1102 C CB  . GLU A 1 151 ? -2.31462  -18.04683 -39.93706 1.000 63.39102  ? 158 GLU A CB  1 
ATOM   1103 C CG  . GLU A 1 151 ? -2.91648  -18.31866 -41.30335 1.000 71.67006  ? 158 GLU A CG  1 
ATOM   1104 C CD  . GLU A 1 151 ? -2.71713  -17.16481 -42.26120 1.000 87.97241  ? 158 GLU A CD  1 
ATOM   1105 O OE1 . GLU A 1 151 ? -1.55264  -16.76121 -42.46812 1.000 100.61770 ? 158 GLU A OE1 1 
ATOM   1106 O OE2 . GLU A 1 151 ? -3.72424  -16.65951 -42.80286 1.000 97.03155  ? 158 GLU A OE2 1 
ATOM   1107 N N   . GLN A 1 152 ? -3.47017  -18.36016 -37.30203 1.000 54.95092  ? 159 GLN A N   1 
ATOM   1108 C CA  . GLN A 1 152 ? -3.50874  -18.79675 -35.91274 1.000 54.68063  ? 159 GLN A CA  1 
ATOM   1109 C C   . GLN A 1 152 ? -2.27912  -19.64199 -35.60478 1.000 49.25845  ? 159 GLN A C   1 
ATOM   1110 O O   . GLN A 1 152 ? -1.97279  -20.59118 -36.33270 1.000 54.80825  ? 159 GLN A O   1 
ATOM   1111 C CB  . GLN A 1 152 ? -4.78324  -19.59339 -35.63668 1.000 46.18886  ? 159 GLN A CB  1 
ATOM   1112 C CG  . GLN A 1 152 ? -5.11370  -19.74816 -34.16402 1.000 46.23373  ? 159 GLN A CG  1 
ATOM   1113 C CD  . GLN A 1 152 ? -6.53782  -20.21767 -33.93780 1.000 55.08521  ? 159 GLN A CD  1 
ATOM   1114 O OE1 . GLN A 1 152 ? -7.48935  -19.46661 -34.14577 1.000 56.77935  ? 159 GLN A OE1 1 
ATOM   1115 N NE2 . GLN A 1 152 ? -6.69121  -21.46827 -33.51825 1.000 51.56808  ? 159 GLN A NE2 1 
ATOM   1116 N N   . TYR A 1 153 ? -1.58355  -19.30386 -34.52219 1.000 44.06909  ? 160 TYR A N   1 
ATOM   1117 C CA  . TYR A 1 153 ? -0.33341  -19.96105 -34.17311 1.000 48.45896  ? 160 TYR A CA  1 
ATOM   1118 C C   . TYR A 1 153 ? -0.38071  -20.44855 -32.73139 1.000 46.35268  ? 160 TYR A C   1 
ATOM   1119 O O   . TYR A 1 153 ? -1.18377  -19.98353 -31.91800 1.000 42.33401  ? 160 TYR A O   1 
ATOM   1120 C CB  . TYR A 1 153 ? 0.86111   -19.01891 -34.37816 1.000 44.94597  ? 160 TYR A CB  1 
ATOM   1121 C CG  . TYR A 1 153 ? 1.18584   -18.75690 -35.83188 1.000 49.23555  ? 160 TYR A CG  1 
ATOM   1122 C CD1 . TYR A 1 153 ? 1.83521   -19.71302 -36.60386 1.000 56.71906  ? 160 TYR A CD1 1 
ATOM   1123 C CD2 . TYR A 1 153 ? 0.81683   -17.56354 -36.44042 1.000 53.62583  ? 160 TYR A CD2 1 
ATOM   1124 C CE1 . TYR A 1 153 ? 2.13179   -19.47546 -37.93543 1.000 58.65976  ? 160 TYR A CE1 1 
ATOM   1125 C CE2 . TYR A 1 153 ? 1.10106   -17.32012 -37.77163 1.000 61.91442  ? 160 TYR A CE2 1 
ATOM   1126 C CZ  . TYR A 1 153 ? 1.75800   -18.27917 -38.51543 1.000 69.43464  ? 160 TYR A CZ  1 
ATOM   1127 O OH  . TYR A 1 153 ? 2.04304   -18.03734 -39.84211 1.000 79.78002  ? 160 TYR A OH  1 
ATOM   1128 N N   . ALA A 1 154 ? 0.49802   -21.40130 -32.42626 1.000 49.06693  ? 161 ALA A N   1 
ATOM   1129 C CA  . ALA A 1 154 ? 0.62215   -21.97227 -31.09069 1.000 43.47726  ? 161 ALA A CA  1 
ATOM   1130 C C   . ALA A 1 154 ? 2.05667   -21.80366 -30.61068 1.000 43.03976  ? 161 ALA A C   1 
ATOM   1131 O O   . ALA A 1 154 ? 2.98513   -22.36293 -31.20519 1.000 43.13324  ? 161 ALA A O   1 
ATOM   1132 C CB  . ALA A 1 154 ? 0.22238   -23.44973 -31.08031 1.000 41.31157  ? 161 ALA A CB  1 
ATOM   1133 N N   . TRP A 1 155 ? 2.22948   -21.03107 -29.54403 1.000 41.29754  ? 162 TRP A N   1 
ATOM   1134 C CA  . TRP A 1 155 ? 3.50967   -20.84551 -28.87730 1.000 37.57078  ? 162 TRP A CA  1 
ATOM   1135 C C   . TRP A 1 155 ? 3.54442   -21.72041 -27.63155 1.000 40.81985  ? 162 TRP A C   1 
ATOM   1136 O O   . TRP A 1 155 ? 2.56477   -21.78609 -26.88484 1.000 43.92266  ? 162 TRP A O   1 
ATOM   1137 C CB  . TRP A 1 155 ? 3.70263   -19.37186 -28.50582 1.000 38.97279  ? 162 TRP A CB  1 
ATOM   1138 C CG  . TRP A 1 155 ? 4.97704   -19.03051 -27.78047 1.000 43.99735  ? 162 TRP A CG  1 
ATOM   1139 C CD1 . TRP A 1 155 ? 6.10320   -18.49110 -28.32754 1.000 42.19118  ? 162 TRP A CD1 1 
ATOM   1140 C CD2 . TRP A 1 155 ? 5.23961   -19.15826 -26.37216 1.000 40.69627  ? 162 TRP A CD2 1 
ATOM   1141 N NE1 . TRP A 1 155 ? 7.05508   -18.29240 -27.35845 1.000 42.51389  ? 162 TRP A NE1 1 
ATOM   1142 C CE2 . TRP A 1 155 ? 6.55246   -18.69494 -26.14994 1.000 40.36268  ? 162 TRP A CE2 1 
ATOM   1143 C CE3 . TRP A 1 155 ? 4.49748   -19.62592 -25.28228 1.000 40.41767  ? 162 TRP A CE3 1 
ATOM   1144 C CZ2 . TRP A 1 155 ? 7.14059   -18.68792 -24.88436 1.000 39.24603  ? 162 TRP A CZ2 1 
ATOM   1145 C CZ3 . TRP A 1 155 ? 5.08322   -19.61697 -24.02501 1.000 38.78499  ? 162 TRP A CZ3 1 
ATOM   1146 C CH2 . TRP A 1 155 ? 6.39151   -19.15165 -23.83811 1.000 43.17041  ? 162 TRP A CH2 1 
ATOM   1147 N N   . GLU A 1 156 ? 4.66945   -22.39674 -27.41112 1.000 43.74279  ? 163 GLU A N   1 
ATOM   1148 C CA  . GLU A 1 156 ? 4.79504   -23.30512 -26.27940 1.000 38.99821  ? 163 GLU A CA  1 
ATOM   1149 C C   . GLU A 1 156 ? 6.22080   -23.28312 -25.74702 1.000 48.50062  ? 163 GLU A C   1 
ATOM   1150 O O   . GLU A 1 156 ? 7.18053   -23.23295 -26.52276 1.000 41.98094  ? 163 GLU A O   1 
ATOM   1151 C CB  . GLU A 1 156 ? 4.41114   -24.73325 -26.67412 1.000 39.05468  ? 163 GLU A CB  1 
ATOM   1152 C CG  . GLU A 1 156 ? 4.15950   -25.66015 -25.50604 1.000 43.02857  ? 163 GLU A CG  1 
ATOM   1153 C CD  . GLU A 1 156 ? 3.28531   -26.83595 -25.88980 1.000 57.22731  ? 163 GLU A CD  1 
ATOM   1154 O OE1 . GLU A 1 156 ? 3.82577   -27.81560 -26.44687 1.000 49.75341  ? 163 GLU A OE1 1 
ATOM   1155 O OE2 . GLU A 1 156 ? 2.06011   -26.78131 -25.63573 1.000 58.89122  ? 163 GLU A OE2 1 
ATOM   1156 N N   . SER A 1 157 ? 6.35000   -23.33214 -24.42044 1.000 41.65375  ? 164 SER A N   1 
ATOM   1157 C CA  . SER A 1 157 ? 7.65828   -23.44423 -23.78745 1.000 44.70006  ? 164 SER A CA  1 
ATOM   1158 C C   . SER A 1 157 ? 7.51097   -24.01841 -22.38845 1.000 45.26590  ? 164 SER A C   1 
ATOM   1159 O O   . SER A 1 157 ? 6.66570   -23.55892 -21.61380 1.000 44.26736  ? 164 SER A O   1 
ATOM   1160 C CB  . SER A 1 157 ? 8.36128   -22.08901 -23.71083 1.000 44.37789  ? 164 SER A CB  1 
ATOM   1161 O OG  . SER A 1 157 ? 9.67027   -22.24550 -23.19011 1.000 44.48069  ? 164 SER A OG  1 
ATOM   1162 N N   . SER A 1 158 ? 8.34359   -25.01195 -22.06974 1.000 44.53940  ? 165 SER A N   1 
ATOM   1163 C CA  . SER A 1 158 ? 8.54234   -25.47655 -20.70225 1.000 41.24470  ? 165 SER A CA  1 
ATOM   1164 C C   . SER A 1 158 ? 9.79888   -24.87700 -20.08196 1.000 40.76478  ? 165 SER A C   1 
ATOM   1165 O O   . SER A 1 158 ? 10.45061  -25.52112 -19.25182 1.000 41.61543  ? 165 SER A O   1 
ATOM   1166 C CB  . SER A 1 158 ? 8.61016   -27.00344 -20.65152 1.000 42.11911  ? 165 SER A CB  1 
ATOM   1167 O OG  . SER A 1 158 ? 7.53743   -27.59796 -21.35681 1.000 46.11763  ? 165 SER A OG  1 
ATOM   1168 N N   . ALA A 1 159 ? 10.14693  -23.65792 -20.47693 1.000 42.01110  ? 166 ALA A N   1 
ATOM   1169 C CA  . ALA A 1 159 ? 11.39099  -22.98054 -20.07319 1.000 47.14484  ? 166 ALA A CA  1 
ATOM   1170 C C   . ALA A 1 159 ? 12.56010  -23.81607 -20.60426 1.000 47.73818  ? 166 ALA A C   1 
ATOM   1171 O O   . ALA A 1 159 ? 12.47452  -24.36930 -21.71174 1.000 49.33033  ? 166 ALA A O   1 
ATOM   1172 C CB  . ALA A 1 159 ? 11.40692  -22.73786 -18.58204 1.000 42.01162  ? 166 ALA A CB  1 
ATOM   1173 N N   . GLY A 1 160 ? 13.65644  -23.92822 -19.85877 1.000 41.91732  ? 167 GLY A N   1 
ATOM   1174 C CA  . GLY A 1 160 ? 14.81378  -24.65535 -20.32939 1.000 43.22136  ? 167 GLY A CA  1 
ATOM   1175 C C   . GLY A 1 160 ? 15.57893  -23.99927 -21.45775 1.000 43.18070  ? 167 GLY A C   1 
ATOM   1176 O O   . GLY A 1 160 ? 16.47061  -24.63815 -22.02894 1.000 45.57006  ? 167 GLY A O   1 
ATOM   1177 N N   . GLY A 1 161 ? 15.25728  -22.75621 -21.80981 1.000 41.15136  ? 168 GLY A N   1 
ATOM   1178 C CA  . GLY A 1 161 ? 16.00934  -22.00970 -22.79501 1.000 44.90853  ? 168 GLY A CA  1 
ATOM   1179 C C   . GLY A 1 161 ? 15.46831  -22.03351 -24.20978 1.000 48.82600  ? 168 GLY A C   1 
ATOM   1180 O O   . GLY A 1 161 ? 16.07378  -21.41013 -25.08950 1.000 45.22853  ? 168 GLY A O   1 
ATOM   1181 N N   . SER A 1 162 ? 14.35567  -22.71931 -24.46450 1.000 39.48839  ? 169 SER A N   1 
ATOM   1182 C CA  . SER A 1 162 ? 13.83725  -22.83536 -25.82026 1.000 43.88608  ? 169 SER A CA  1 
ATOM   1183 C C   . SER A 1 162 ? 12.31423  -22.79556 -25.81676 1.000 44.85281  ? 169 SER A C   1 
ATOM   1184 O O   . SER A 1 162 ? 11.66098  -23.08984 -24.81187 1.000 40.73778  ? 169 SER A O   1 
ATOM   1185 C CB  . SER A 1 162 ? 14.32380  -24.12175 -26.50074 1.000 42.20864  ? 169 SER A CB  1 
ATOM   1186 O OG  . SER A 1 162 ? 13.85610  -25.26637 -25.81265 1.000 54.02848  ? 169 SER A OG  1 
ATOM   1187 N N   . PHE A 1 163 ? 11.75735  -22.41892 -26.96795 1.000 41.81627  ? 170 PHE A N   1 
ATOM   1188 C CA  . PHE A 1 163 ? 10.31853  -22.42700 -27.18871 1.000 42.47282  ? 170 PHE A CA  1 
ATOM   1189 C C   . PHE A 1 163 ? 10.04138  -22.85988 -28.62158 1.000 46.17175  ? 170 PHE A C   1 
ATOM   1190 O O   . PHE A 1 163 ? 10.93400  -22.86342 -29.47302 1.000 45.93720  ? 170 PHE A O   1 
ATOM   1191 C CB  . PHE A 1 163 ? 9.68175   -21.05610 -26.90391 1.000 39.30365  ? 170 PHE A CB  1 
ATOM   1192 C CG  . PHE A 1 163 ? 10.14947  -19.95231 -27.81754 1.000 44.01852  ? 170 PHE A CG  1 
ATOM   1193 C CD1 . PHE A 1 163 ? 11.30750  -19.24167 -27.53693 1.000 47.90995  ? 170 PHE A CD1 1 
ATOM   1194 C CD2 . PHE A 1 163 ? 9.41915   -19.61056 -28.94583 1.000 40.13850  ? 170 PHE A CD2 1 
ATOM   1195 C CE1 . PHE A 1 163 ? 11.73265  -18.21809 -28.36965 1.000 47.79076  ? 170 PHE A CE1 1 
ATOM   1196 C CE2 . PHE A 1 163 ? 9.83793   -18.58970 -29.78127 1.000 39.99251  ? 170 PHE A CE2 1 
ATOM   1197 C CZ  . PHE A 1 163 ? 10.99360  -17.89030 -29.49188 1.000 45.79178  ? 170 PHE A CZ  1 
ATOM   1198 N N   . THR A 1 164 ? 8.78946   -23.23735 -28.88096 1.000 42.82956  ? 171 THR A N   1 
ATOM   1199 C CA  . THR A 1 164 ? 8.38630   -23.71681 -30.19444 1.000 42.34921  ? 171 THR A CA  1 
ATOM   1200 C C   . THR A 1 164 ? 7.20919   -22.90695 -30.71825 1.000 45.87122  ? 171 THR A C   1 
ATOM   1201 O O   . THR A 1 164 ? 6.40399   -22.37079 -29.94970 1.000 43.98242  ? 171 THR A O   1 
ATOM   1202 C CB  . THR A 1 164 ? 8.01549   -25.20900 -30.17435 1.000 42.39158  ? 171 THR A CB  1 
ATOM   1203 O OG1 . THR A 1 164 ? 6.82106   -25.40327 -29.41015 1.000 42.04754  ? 171 THR A OG1 1 
ATOM   1204 C CG2 . THR A 1 164 ? 9.14947   -26.04126 -29.58288 1.000 42.69997  ? 171 THR A CG2 1 
ATOM   1205 N N   . VAL A 1 165 ? 7.12544   -22.82036 -32.04472 1.000 44.78817  ? 172 VAL A N   1 
ATOM   1206 C CA  . VAL A 1 165 ? 6.05004   -22.11890 -32.73571 1.000 49.62765  ? 172 VAL A CA  1 
ATOM   1207 C C   . VAL A 1 165 ? 5.56317   -23.00205 -33.87681 1.000 45.53309  ? 172 VAL A C   1 
ATOM   1208 O O   . VAL A 1 165 ? 6.37543   -23.56059 -34.62356 1.000 52.20576  ? 172 VAL A O   1 
ATOM   1209 C CB  . VAL A 1 165 ? 6.50488   -20.74564 -33.26889 1.000 46.23717  ? 172 VAL A CB  1 
ATOM   1210 C CG1 . VAL A 1 165 ? 5.41875   -20.12253 -34.13202 1.000 42.68299  ? 172 VAL A CG1 1 
ATOM   1211 C CG2 . VAL A 1 165 ? 6.87175   -19.81713 -32.11711 1.000 40.37524  ? 172 VAL A CG2 1 
ATOM   1212 N N   . ARG A 1 166 ? 4.24339   -23.13348 -34.00529 1.000 45.32144  ? 173 ARG A N   1 
ATOM   1213 C CA  . ARG A 1 166 ? 3.65204   -23.91924 -35.07938 1.000 53.08364  ? 173 ARG A CA  1 
ATOM   1214 C C   . ARG A 1 166 ? 2.29282   -23.33799 -35.43792 1.000 51.85207  ? 173 ARG A C   1 
ATOM   1215 O O   . ARG A 1 166 ? 1.64306   -22.67431 -34.62425 1.000 46.33408  ? 173 ARG A O   1 
ATOM   1216 C CB  . ARG A 1 166 ? 3.50401   -25.39495 -34.68932 1.000 57.12147  ? 173 ARG A CB  1 
ATOM   1217 C CG  . ARG A 1 166 ? 2.41506   -25.66279 -33.65685 1.000 56.90862  ? 173 ARG A CG  1 
ATOM   1218 C CD  . ARG A 1 166 ? 2.52743   -27.06584 -33.08095 1.000 59.14919  ? 173 ARG A CD  1 
ATOM   1219 N NE  . ARG A 1 166 ? 3.51386   -27.13755 -32.00833 1.000 69.52614  ? 173 ARG A NE  1 
ATOM   1220 C CZ  . ARG A 1 166 ? 3.96690   -28.26606 -31.47793 1.000 75.83841  ? 173 ARG A CZ  1 
ATOM   1221 N NH1 . ARG A 1 166 ? 3.54394   -29.44761 -31.89873 1.000 70.90856  ? 173 ARG A NH1 1 
ATOM   1222 N NH2 . ARG A 1 166 ? 4.87531   -28.20779 -30.50800 1.000 71.62825  ? 173 ARG A NH2 1 
ATOM   1223 N N   . THR A 1 167 ? 1.87422   -23.58735 -36.67710 1.000 49.92516  ? 174 THR A N   1 
ATOM   1224 C CA  . THR A 1 167 ? 0.52100   -23.24084 -37.08993 1.000 59.49735  ? 174 THR A CA  1 
ATOM   1225 C C   . THR A 1 167 ? -0.47872  -24.07630 -36.30281 1.000 55.37258  ? 174 THR A C   1 
ATOM   1226 O O   . THR A 1 167 ? -0.38034  -25.30651 -36.26684 1.000 67.88880  ? 174 THR A O   1 
ATOM   1227 C CB  . THR A 1 167 ? 0.33047   -23.47799 -38.58743 1.000 58.18024  ? 174 THR A CB  1 
ATOM   1228 O OG1 . THR A 1 167 ? 0.89809   -24.74311 -38.95014 1.000 68.38105  ? 174 THR A OG1 1 
ATOM   1229 C CG2 . THR A 1 167 ? 0.99469   -22.37616 -39.39739 1.000 60.94121  ? 174 THR A CG2 1 
ATOM   1230 N N   . ASP A 1 168 ? -1.43880  -23.41225 -35.66692 1.000 47.99997  ? 175 ASP A N   1 
ATOM   1231 C CA  . ASP A 1 168 ? -2.42990  -24.12083 -34.87155 1.000 57.30437  ? 175 ASP A CA  1 
ATOM   1232 C C   . ASP A 1 168 ? -3.52109  -24.67880 -35.77443 1.000 64.29676  ? 175 ASP A C   1 
ATOM   1233 O O   . ASP A 1 168 ? -4.13393  -23.94263 -36.55332 1.000 61.39518  ? 175 ASP A O   1 
ATOM   1234 C CB  . ASP A 1 168 ? -3.03470  -23.20255 -33.81333 1.000 54.72481  ? 175 ASP A CB  1 
ATOM   1235 C CG  . ASP A 1 168 ? -4.01270  -23.92788 -32.91461 1.000 63.02337  ? 175 ASP A CG  1 
ATOM   1236 O OD1 . ASP A 1 168 ? -3.73707  -25.09462 -32.56339 1.000 65.83101  ? 175 ASP A OD1 1 
ATOM   1237 O OD2 . ASP A 1 168 ? -5.05373  -23.33671 -32.55797 1.000 64.42712  ? 175 ASP A OD2 1 
ATOM   1238 N N   . THR A 1 169 ? -3.75770  -25.98355 -35.66919 1.000 66.10082  ? 176 THR A N   1 
ATOM   1239 C CA  . THR A 1 169 ? -4.76132  -26.66890 -36.47018 1.000 80.68744  ? 176 THR A CA  1 
ATOM   1240 C C   . THR A 1 169 ? -6.05236  -26.92977 -35.70787 1.000 82.76188  ? 176 THR A C   1 
ATOM   1241 O O   . THR A 1 169 ? -6.97887  -27.52278 -36.26965 1.000 78.36483  ? 176 THR A O   1 
ATOM   1242 C CB  . THR A 1 169 ? -4.20195  -27.99638 -36.99402 1.000 90.68849  ? 176 THR A CB  1 
ATOM   1243 O OG1 . THR A 1 169 ? -3.60238  -28.72318 -35.91263 1.000 85.58341  ? 176 THR A OG1 1 
ATOM   1244 C CG2 . THR A 1 169 ? -3.16278  -27.74801 -38.07585 1.000 84.14631  ? 176 THR A CG2 1 
ATOM   1245 N N   . GLY A 1 170 ? -6.13828  -26.50220 -34.45215 1.000 75.66718  ? 177 GLY A N   1 
ATOM   1246 C CA  . GLY A 1 170 ? -7.28852  -26.78780 -33.61758 1.000 71.71588  ? 177 GLY A CA  1 
ATOM   1247 C C   . GLY A 1 170 ? -8.46736  -25.87835 -33.88500 1.000 77.01149  ? 177 GLY A C   1 
ATOM   1248 O O   . GLY A 1 170 ? -8.72757  -25.46300 -35.02060 1.000 79.03237  ? 177 GLY A O   1 
ATOM   1249 N N   . GLU A 1 171 ? -9.18942  -25.56546 -32.82102 1.000 82.15501  ? 178 GLU A N   1 
ATOM   1250 C CA  . GLU A 1 171 ? -10.40855 -24.77455 -32.92191 1.000 78.61397  ? 178 GLU A CA  1 
ATOM   1251 C C   . GLU A 1 171 ? -10.08804 -23.34800 -33.34708 1.000 72.17417  ? 178 GLU A C   1 
ATOM   1252 O O   . GLU A 1 171 ? -9.30899  -22.66958 -32.66373 1.000 70.40867  ? 178 GLU A O   1 
ATOM   1253 C CB  . GLU A 1 171 ? -11.13548 -24.78036 -31.57995 1.000 82.17501  ? 178 GLU A CB  1 
ATOM   1254 C CG  . GLU A 1 171 ? -12.58443 -24.35761 -31.66437 1.000 83.21578  ? 178 GLU A CG  1 
ATOM   1255 C CD  . GLU A 1 171 ? -13.42038 -25.33391 -32.46222 1.000 93.70432  ? 178 GLU A CD  1 
ATOM   1256 O OE1 . GLU A 1 171 ? -13.57230 -26.49140 -32.01605 1.000 88.48365  ? 178 GLU A OE1 1 
ATOM   1257 O OE2 . GLU A 1 171 ? -13.91109 -24.94491 -33.54347 1.000 94.83449  ? 178 GLU A OE2 1 
ATOM   1258 N N   . PRO A 1 172 ? -10.64395 -22.85548 -34.45455 1.000 68.99539  ? 179 PRO A N   1 
ATOM   1259 C CA  . PRO A 1 172 ? -10.41433 -21.45479 -34.83599 1.000 68.02887  ? 179 PRO A CA  1 
ATOM   1260 C C   . PRO A 1 172 ? -10.94941 -20.50321 -33.77460 1.000 70.45802  ? 179 PRO A C   1 
ATOM   1261 O O   . PRO A 1 172 ? -12.00831 -20.73279 -33.18733 1.000 73.16973  ? 179 PRO A O   1 
ATOM   1262 C CB  . PRO A 1 172 ? -11.17357 -21.29983 -36.15999 1.000 68.06056  ? 179 PRO A CB  1 
ATOM   1263 C CG  . PRO A 1 172 ? -11.67578 -22.63906 -36.53687 1.000 75.72791  ? 179 PRO A CG  1 
ATOM   1264 C CD  . PRO A 1 172 ? -11.41316 -23.61986 -35.45143 1.000 82.42492  ? 179 PRO A CD  1 
ATOM   1265 N N   . MET A 1 173 ? -10.20538 -19.41930 -33.53743 1.000 65.98534  ? 180 MET A N   1 
ATOM   1266 C CA  . MET A 1 173 ? -10.53189 -18.47538 -32.47452 1.000 61.54373  ? 180 MET A CA  1 
ATOM   1267 C C   . MET A 1 173 ? -11.18481 -17.18903 -32.96029 1.000 60.78578  ? 180 MET A C   1 
ATOM   1268 O O   . MET A 1 173 ? -11.85772 -16.52201 -32.16735 1.000 65.75642  ? 180 MET A O   1 
ATOM   1269 C CB  . MET A 1 173 ? -9.27552  -18.09339 -31.68638 1.000 59.29588  ? 180 MET A CB  1 
ATOM   1270 C CG  . MET A 1 173 ? -8.77563  -19.14668 -30.72644 1.000 69.69991  ? 180 MET A CG  1 
ATOM   1271 S SD  . MET A 1 173 ? -7.35883  -18.56021 -29.77474 1.000 67.15367  ? 180 MET A SD  1 
ATOM   1272 C CE  . MET A 1 173 ? -6.83737  -17.14648 -30.74309 1.000 44.53529  ? 180 MET A CE  1 
ATOM   1273 N N   . GLY A 1 174 ? -10.98918 -16.81083 -34.21811 1.000 55.85830  ? 181 GLY A N   1 
ATOM   1274 C CA  . GLY A 1 174 ? -11.47509 -15.53101 -34.68989 1.000 53.29672  ? 181 GLY A CA  1 
ATOM   1275 C C   . GLY A 1 174 ? -10.47042 -14.42522 -34.44715 1.000 54.27643  ? 181 GLY A C   1 
ATOM   1276 O O   . GLY A 1 174 ? -9.85772  -13.91531 -35.39006 1.000 65.71489  ? 181 GLY A O   1 
ATOM   1277 N N   . ARG A 1 175 ? -10.28596 -14.05472 -33.18193 1.000 53.27904  ? 182 ARG A N   1 
ATOM   1278 C CA  . ARG A 1 175 ? -9.32261  -13.03019 -32.80409 1.000 52.72852  ? 182 ARG A CA  1 
ATOM   1279 C C   . ARG A 1 175 ? -9.12455  -13.07700 -31.29850 1.000 44.47356  ? 182 ARG A C   1 
ATOM   1280 O O   . ARG A 1 175 ? -10.09549 -13.19738 -30.54818 1.000 50.58904  ? 182 ARG A O   1 
ATOM   1281 C CB  . ARG A 1 175 ? -9.79417  -11.63341 -33.22917 1.000 53.52853  ? 182 ARG A CB  1 
ATOM   1282 C CG  . ARG A 1 175 ? -8.73510  -10.55675 -33.09960 1.000 48.28333  ? 182 ARG A CG  1 
ATOM   1283 C CD  . ARG A 1 175 ? -9.35541  -9.17109  -33.14011 1.000 50.87751  ? 182 ARG A CD  1 
ATOM   1284 N NE  . ARG A 1 175 ? -10.17216 -8.89634  -31.96317 1.000 50.28756  ? 182 ARG A NE  1 
ATOM   1285 C CZ  . ARG A 1 175 ? -11.49529 -8.79918  -31.97108 1.000 58.26070  ? 182 ARG A CZ  1 
ATOM   1286 N NH1 . ARG A 1 175 ? -12.19392 -8.94959  -33.08545 1.000 60.53202  ? 182 ARG A NH1 1 
ATOM   1287 N NH2 . ARG A 1 175 ? -12.13374 -8.53744  -30.83318 1.000 56.35224  ? 182 ARG A NH2 1 
ATOM   1288 N N   . GLY A 1 176 ? -7.87518  -12.98207 -30.86552 1.000 47.33746  ? 183 GLY A N   1 
ATOM   1289 C CA  . GLY A 1 176 ? -7.58224  -12.91359 -29.45481 1.000 45.54994  ? 183 GLY A CA  1 
ATOM   1290 C C   . GLY A 1 176 ? -6.39959  -13.78545 -29.10482 1.000 45.84229  ? 183 GLY A C   1 
ATOM   1291 O O   . GLY A 1 176 ? -5.63822  -14.21350 -29.97253 1.000 45.91508  ? 183 GLY A O   1 
ATOM   1292 N N   . THR A 1 177 ? -6.25410  -14.04029 -27.80673 1.000 41.31722  ? 184 THR A N   1 
ATOM   1293 C CA  . THR A 1 177 ? -5.13477  -14.80743 -27.28489 1.000 36.61435  ? 184 THR A CA  1 
ATOM   1294 C C   . THR A 1 177 ? -5.64371  -15.75599 -26.21258 1.000 41.23323  ? 184 THR A C   1 
ATOM   1295 O O   . THR A 1 177 ? -6.52495  -15.40071 -25.42337 1.000 45.07115  ? 184 THR A O   1 
ATOM   1296 C CB  . THR A 1 177 ? -4.04519  -13.88142 -26.72066 1.000 38.23289  ? 184 THR A CB  1 
ATOM   1297 O OG1 . THR A 1 177 ? -3.51553  -13.07103 -27.77664 1.000 38.25916  ? 184 THR A OG1 1 
ATOM   1298 C CG2 . THR A 1 177 ? -2.91466  -14.68396 -26.08882 1.000 32.59353  ? 184 THR A CG2 1 
ATOM   1299 N N   . LYS A 1 178 ? -5.09772  -16.96901 -26.20768 1.000 40.47352  ? 185 LYS A N   1 
ATOM   1300 C CA  . LYS A 1 178 ? -5.43422  -17.98775 -25.22404 1.000 40.16140  ? 185 LYS A CA  1 
ATOM   1301 C C   . LYS A 1 178 ? -4.14370  -18.46447 -24.57479 1.000 40.28213  ? 185 LYS A C   1 
ATOM   1302 O O   . LYS A 1 178 ? -3.27282  -19.01792 -25.25478 1.000 39.26098  ? 185 LYS A O   1 
ATOM   1303 C CB  . LYS A 1 178 ? -6.18792  -19.15125 -25.88135 1.000 39.78513  ? 185 LYS A CB  1 
ATOM   1304 C CG  . LYS A 1 178 ? -6.17112  -20.45323 -25.09626 1.000 48.06840  ? 185 LYS A CG  1 
ATOM   1305 C CD  . LYS A 1 178 ? -7.07054  -21.52019 -25.73135 1.000 48.44238  ? 185 LYS A CD  1 
ATOM   1306 C CE  . LYS A 1 178 ? -8.33991  -20.92032 -26.32001 1.000 54.90944  ? 185 LYS A CE  1 
ATOM   1307 N NZ  . LYS A 1 178 ? -9.36567  -21.95566 -26.64890 1.000 81.25766  ? 185 LYS A NZ  1 
ATOM   1308 N N   . VAL A 1 179 ? -4.01557  -18.23283 -23.27185 1.000 36.37847  ? 186 VAL A N   1 
ATOM   1309 C CA  . VAL A 1 179 ? -2.85571  -18.65829 -22.49431 1.000 37.01626  ? 186 VAL A CA  1 
ATOM   1310 C C   . VAL A 1 179 ? -3.27106  -19.87033 -21.67125 1.000 40.38771  ? 186 VAL A C   1 
ATOM   1311 O O   . VAL A 1 179 ? -4.12075  -19.76514 -20.78055 1.000 43.00451  ? 186 VAL A O   1 
ATOM   1312 C CB  . VAL A 1 179 ? -2.33023  -17.53257 -21.59325 1.000 35.90593  ? 186 VAL A CB  1 
ATOM   1313 C CG1 . VAL A 1 179 ? -1.05890  -17.97480 -20.87942 1.000 35.01614  ? 186 VAL A CG1 1 
ATOM   1314 C CG2 . VAL A 1 179 ? -2.07958  -16.27038 -22.40426 1.000 32.49993  ? 186 VAL A CG2 1 
ATOM   1315 N N   . ILE A 1 180 ? -2.68275  -21.02500 -21.96476 1.000 37.20477  ? 187 ILE A N   1 
ATOM   1316 C CA  . ILE A 1 180 ? -2.95863  -22.25420 -21.23104 1.000 37.12698  ? 187 ILE A CA  1 
ATOM   1317 C C   . ILE A 1 180 ? -1.81420  -22.48908 -20.25711 1.000 41.37845  ? 187 ILE A C   1 
ATOM   1318 O O   . ILE A 1 180 ? -0.65508  -22.62941 -20.66795 1.000 38.90055  ? 187 ILE A O   1 
ATOM   1319 C CB  . ILE A 1 180 ? -3.13591  -23.45356 -22.17526 1.000 41.75954  ? 187 ILE A CB  1 
ATOM   1320 C CG1 . ILE A 1 180 ? -4.22758  -23.17013 -23.21019 1.000 39.01923  ? 187 ILE A CG1 1 
ATOM   1321 C CG2 . ILE A 1 180 ? -3.47414  -24.70849 -21.38149 1.000 40.30185  ? 187 ILE A CG2 1 
ATOM   1322 C CD1 . ILE A 1 180 ? -4.14080  -24.04375 -24.44225 1.000 34.81008  ? 187 ILE A CD1 1 
ATOM   1323 N N   . LEU A 1 181 ? -2.13779  -22.53092 -18.96778 1.000 38.50005  ? 188 LEU A N   1 
ATOM   1324 C CA  . LEU A 1 181 ? -1.15543  -22.74612 -17.91247 1.000 37.11286  ? 188 LEU A CA  1 
ATOM   1325 C C   . LEU A 1 181 ? -1.24516  -24.19254 -17.45052 1.000 40.36860  ? 188 LEU A C   1 
ATOM   1326 O O   . LEU A 1 181 ? -2.20798  -24.57494 -16.78077 1.000 42.09047  ? 188 LEU A O   1 
ATOM   1327 C CB  . LEU A 1 181 ? -1.39922  -21.79620 -16.74493 1.000 36.04741  ? 188 LEU A CB  1 
ATOM   1328 C CG  . LEU A 1 181 ? -1.40403  -20.31237 -17.08482 1.000 40.19567  ? 188 LEU A CG  1 
ATOM   1329 C CD1 . LEU A 1 181 ? -1.71623  -19.51281 -15.84540 1.000 39.13123  ? 188 LEU A CD1 1 
ATOM   1330 C CD2 . LEU A 1 181 ? -0.05821  -19.90789 -17.65904 1.000 39.06270  ? 188 LEU A CD2 1 
ATOM   1331 N N   . HIS A 1 182 ? -0.24619  -24.99441 -17.80288 1.000 39.82535  ? 189 HIS A N   1 
ATOM   1332 C CA  . HIS A 1 182 ? -0.14365  -26.35451 -17.27934 1.000 44.21264  ? 189 HIS A CA  1 
ATOM   1333 C C   . HIS A 1 182 ? 0.48363   -26.26110 -15.89288 1.000 47.12519  ? 189 HIS A C   1 
ATOM   1334 O O   . HIS A 1 182 ? 1.70218   -26.13136 -15.75150 1.000 49.09614  ? 189 HIS A O   1 
ATOM   1335 C CB  . HIS A 1 182 ? 0.66427   -27.24136 -18.22104 1.000 48.78924  ? 189 HIS A CB  1 
ATOM   1336 C CG  . HIS A 1 182 ? 0.22875   -27.15809 -19.65257 1.000 53.52910  ? 189 HIS A CG  1 
ATOM   1337 N ND1 . HIS A 1 182 ? -0.52220  -28.14279 -20.25877 1.000 52.61515  ? 189 HIS A ND1 1 
ATOM   1338 C CD2 . HIS A 1 182 ? 0.44802   -26.21551 -20.60102 1.000 44.52423  ? 189 HIS A CD2 1 
ATOM   1339 C CE1 . HIS A 1 182 ? -0.75543  -27.80572 -21.51474 1.000 47.79097  ? 189 HIS A CE1 1 
ATOM   1340 N NE2 . HIS A 1 182 ? -0.17607  -26.64163 -21.74842 1.000 46.58054  ? 189 HIS A NE2 1 
ATOM   1341 N N   . LEU A 1 183 ? -0.35748  -26.32068 -14.86412 1.000 42.60418  ? 190 LEU A N   1 
ATOM   1342 C CA  . LEU A 1 183 ? 0.07223   -26.00836 -13.50932 1.000 43.63894  ? 190 LEU A CA  1 
ATOM   1343 C C   . LEU A 1 183 ? 1.00389   -27.07971 -12.95369 1.000 49.01862  ? 190 LEU A C   1 
ATOM   1344 O O   . LEU A 1 183 ? 0.88957   -28.26605 -13.27406 1.000 53.62262  ? 190 LEU A O   1 
ATOM   1345 C CB  . LEU A 1 183 ? -1.14029  -25.86191 -12.59180 1.000 45.23393  ? 190 LEU A CB  1 
ATOM   1346 C CG  . LEU A 1 183 ? -2.04809  -24.65956 -12.85679 1.000 49.02463  ? 190 LEU A CG  1 
ATOM   1347 C CD1 . LEU A 1 183 ? -3.20927  -24.64908 -11.87697 1.000 47.48538  ? 190 LEU A CD1 1 
ATOM   1348 C CD2 . LEU A 1 183 ? -1.26094  -23.36172 -12.77678 1.000 43.03180  ? 190 LEU A CD2 1 
ATOM   1349 N N   . LYS A 1 184 ? 1.93566   -26.64081 -12.10740 1.000 49.50245  ? 191 LYS A N   1 
ATOM   1350 C CA  . LYS A 1 184 ? 2.76417   -27.55881 -11.33982 1.000 52.14847  ? 191 LYS A CA  1 
ATOM   1351 C C   . LYS A 1 184 ? 1.89909   -28.37540 -10.38331 1.000 49.58524  ? 191 LYS A C   1 
ATOM   1352 O O   . LYS A 1 184 ? 0.78119   -27.99107 -10.03068 1.000 54.38307  ? 191 LYS A O   1 
ATOM   1353 C CB  . LYS A 1 184 ? 3.83189   -26.79230 -10.55815 1.000 53.48672  ? 191 LYS A CB  1 
ATOM   1354 C CG  . LYS A 1 184 ? 4.70719   -25.89696 -11.41589 1.000 47.17407  ? 191 LYS A CG  1 
ATOM   1355 C CD  . LYS A 1 184 ? 5.86838   -25.31788 -10.62234 1.000 52.90325  ? 191 LYS A CD  1 
ATOM   1356 C CE  . LYS A 1 184 ? 6.43342   -24.08636 -11.32003 1.000 59.46782  ? 191 LYS A CE  1 
ATOM   1357 N NZ  . LYS A 1 184 ? 7.12511   -23.15324 -10.38706 1.000 61.42846  ? 191 LYS A NZ  1 
ATOM   1358 N N   . GLU A 1 185 ? 2.44240   -29.51555 -9.94962  1.000 55.34643  ? 192 GLU A N   1 
ATOM   1359 C CA  . GLU A 1 185 ? 1.65115   -30.46848 -9.17670  1.000 61.89222  ? 192 GLU A CA  1 
ATOM   1360 C C   . GLU A 1 185 ? 1.21094   -29.89889 -7.83142  1.000 60.74705  ? 192 GLU A C   1 
ATOM   1361 O O   . GLU A 1 185 ? 0.17287   -30.31075 -7.30062  1.000 62.03363  ? 192 GLU A O   1 
ATOM   1362 C CB  . GLU A 1 185 ? 2.43944   -31.76517 -8.97723  1.000 61.26714  ? 192 GLU A CB  1 
ATOM   1363 C CG  . GLU A 1 185 ? 2.96988   -31.97424 -7.56909  1.000 70.25662  ? 192 GLU A CG  1 
ATOM   1364 C CD  . GLU A 1 185 ? 3.71228   -33.28667 -7.41411  1.000 92.82670  ? 192 GLU A CD  1 
ATOM   1365 O OE1 . GLU A 1 185 ? 4.88141   -33.26289 -6.97301  1.000 102.03566 ? 192 GLU A OE1 1 
ATOM   1366 O OE2 . GLU A 1 185 ? 3.12700   -34.34231 -7.73842  1.000 97.52962  ? 192 GLU A OE2 1 
ATOM   1367 N N   . ASP A 1 186 ? 1.96697   -28.95569 -7.26778  1.000 53.29925  ? 193 ASP A N   1 
ATOM   1368 C CA  . ASP A 1 186 ? 1.64193   -28.38122 -5.96904  1.000 55.12649  ? 193 ASP A CA  1 
ATOM   1369 C C   . ASP A 1 186 ? 0.98006   -27.01072 -6.08071  1.000 55.61361  ? 193 ASP A C   1 
ATOM   1370 O O   . ASP A 1 186 ? 0.89846   -26.28530 -5.08419  1.000 59.17915  ? 193 ASP A O   1 
ATOM   1371 C CB  . ASP A 1 186 ? 2.89668   -28.30091 -5.09455  1.000 56.39309  ? 193 ASP A CB  1 
ATOM   1372 C CG  . ASP A 1 186 ? 3.98931   -27.44856 -5.71036  1.000 56.56607  ? 193 ASP A CG  1 
ATOM   1373 O OD1 . ASP A 1 186 ? 3.96905   -27.24050 -6.94064  1.000 58.78607  ? 193 ASP A OD1 1 
ATOM   1374 O OD2 . ASP A 1 186 ? 4.87898   -26.99270 -4.96241  1.000 75.47513  ? 193 ASP A OD2 1 
ATOM   1375 N N   . GLN A 1 187 ? 0.49237   -26.64700 -7.26530  1.000 48.50462  ? 194 GLN A N   1 
ATOM   1376 C CA  . GLN A 1 187 ? -0.15216  -25.35724 -7.47930  1.000 52.00502  ? 194 GLN A CA  1 
ATOM   1377 C C   . GLN A 1 187 ? -1.59809  -25.51939 -7.94303  1.000 47.09423  ? 194 GLN A C   1 
ATOM   1378 O O   . GLN A 1 187 ? -2.14043  -24.64496 -8.62133  1.000 49.90106  ? 194 GLN A O   1 
ATOM   1379 C CB  . GLN A 1 187 ? 0.64159   -24.51849 -8.48072  1.000 50.03466  ? 194 GLN A CB  1 
ATOM   1380 C CG  . GLN A 1 187 ? 2.07653   -24.22426 -8.05846  1.000 46.02489  ? 194 GLN A CG  1 
ATOM   1381 C CD  . GLN A 1 187 ? 2.16555   -23.45940 -6.74981  1.000 49.67643  ? 194 GLN A CD  1 
ATOM   1382 O OE1 . GLN A 1 187 ? 1.36533   -22.56450 -6.48349  1.000 52.60647  ? 194 GLN A OE1 1 
ATOM   1383 N NE2 . GLN A 1 187 ? 3.14930   -23.80576 -5.92909  1.000 49.68343  ? 194 GLN A NE2 1 
ATOM   1384 N N   . THR A 1 188 ? -2.23832  -26.63283 -7.57472  1.000 49.52788  ? 195 THR A N   1 
ATOM   1385 C CA  . THR A 1 188 ? -3.60782  -26.89941 -8.00240  1.000 48.95716  ? 195 THR A CA  1 
ATOM   1386 C C   . THR A 1 188 ? -4.63450  -26.03039 -7.29105  1.000 51.70153  ? 195 THR A C   1 
ATOM   1387 O O   . THR A 1 188 ? -5.81571  -26.08567 -7.64986  1.000 53.60257  ? 195 THR A O   1 
ATOM   1388 C CB  . THR A 1 188 ? -3.96232  -28.37241 -7.78483  1.000 47.54932  ? 195 THR A CB  1 
ATOM   1389 O OG1 . THR A 1 188 ? -3.79267  -28.70987 -6.40224  1.000 55.28911  ? 195 THR A OG1 1 
ATOM   1390 C CG2 . THR A 1 188 ? -3.08110  -29.26968 -8.64012  1.000 49.03858  ? 195 THR A CG2 1 
ATOM   1391 N N   . GLU A 1 189 ? -4.22193  -25.23956 -6.29736  1.000 50.76782  ? 196 GLU A N   1 
ATOM   1392 C CA  . GLU A 1 189 ? -5.16234  -24.34391 -5.63272  1.000 51.69089  ? 196 GLU A CA  1 
ATOM   1393 C C   . GLU A 1 189 ? -5.74519  -23.32634 -6.60574  1.000 53.95763  ? 196 GLU A C   1 
ATOM   1394 O O   . GLU A 1 189 ? -6.87764  -22.86416 -6.41849  1.000 45.76422  ? 196 GLU A O   1 
ATOM   1395 C CB  . GLU A 1 189 ? -4.47703  -23.63871 -4.45970  1.000 46.10327  ? 196 GLU A CB  1 
ATOM   1396 C CG  . GLU A 1 189 ? -3.54989  -22.49901 -4.86582  1.000 49.98266  ? 196 GLU A CG  1 
ATOM   1397 C CD  . GLU A 1 189 ? -2.67024  -22.01656 -3.72786  1.000 55.55148  ? 196 GLU A CD  1 
ATOM   1398 O OE1 . GLU A 1 189 ? -1.69859  -22.72394 -3.38740  1.000 57.94569  ? 196 GLU A OE1 1 
ATOM   1399 O OE2 . GLU A 1 189 ? -2.94659  -20.92818 -3.17785  1.000 53.01420  ? 196 GLU A OE2 1 
ATOM   1400 N N   . TYR A 1 190 ? -5.00449  -22.98336 -7.65836  1.000 42.96889  ? 197 TYR A N   1 
ATOM   1401 C CA  . TYR A 1 190 ? -5.47927  -22.02799 -8.64966  1.000 50.18018  ? 197 TYR A CA  1 
ATOM   1402 C C   . TYR A 1 190 ? -6.46241  -22.64035 -9.63903  1.000 48.10705  ? 197 TYR A C   1 
ATOM   1403 O O   . TYR A 1 190 ? -6.83797  -21.97767 -10.61121 1.000 48.65459  ? 197 TYR A O   1 
ATOM   1404 C CB  . TYR A 1 190 ? -4.28656  -21.40714 -9.37614  1.000 40.45105  ? 197 TYR A CB  1 
ATOM   1405 C CG  . TYR A 1 190 ? -3.33020  -20.76102 -8.40275  1.000 47.13073  ? 197 TYR A CG  1 
ATOM   1406 C CD1 . TYR A 1 190 ? -3.72033  -19.66098 -7.65039  1.000 44.65344  ? 197 TYR A CD1 1 
ATOM   1407 C CD2 . TYR A 1 190 ? -2.05380  -21.27150 -8.20441  1.000 44.24408  ? 197 TYR A CD2 1 
ATOM   1408 C CE1 . TYR A 1 190 ? -2.85911  -19.07432 -6.74538  1.000 48.46569  ? 197 TYR A CE1 1 
ATOM   1409 C CE2 . TYR A 1 190 ? -1.18484  -20.69103 -7.29905  1.000 44.74023  ? 197 TYR A CE2 1 
ATOM   1410 C CZ  . TYR A 1 190 ? -1.59400  -19.59398 -6.57415  1.000 44.41360  ? 197 TYR A CZ  1 
ATOM   1411 O OH  . TYR A 1 190 ? -0.73931  -19.00955 -5.67318  1.000 45.99035  ? 197 TYR A OH  1 
ATOM   1412 N N   . LEU A 1 191 ? -6.88681  -23.88021 -9.40778  1.000 51.68920  ? 198 LEU A N   1 
ATOM   1413 C CA  . LEU A 1 191 ? -8.00512  -24.47955 -10.11852 1.000 47.57812  ? 198 LEU A CA  1 
ATOM   1414 C C   . LEU A 1 191 ? -9.30110  -24.41044 -9.32234  1.000 54.33871  ? 198 LEU A C   1 
ATOM   1415 O O   . LEU A 1 191 ? -10.35022 -24.81539 -9.83289  1.000 52.90775  ? 198 LEU A O   1 
ATOM   1416 C CB  . LEU A 1 191 ? -7.69230  -25.93769 -10.46143 1.000 48.76830  ? 198 LEU A CB  1 
ATOM   1417 C CG  . LEU A 1 191 ? -6.52704  -26.19491 -11.41371 1.000 50.11642  ? 198 LEU A CG  1 
ATOM   1418 C CD1 . LEU A 1 191 ? -6.30988  -27.68588 -11.58083 1.000 45.61023  ? 198 LEU A CD1 1 
ATOM   1419 C CD2 . LEU A 1 191 ? -6.78949  -25.53912 -12.75684 1.000 48.40625  ? 198 LEU A CD2 1 
ATOM   1420 N N   . GLU A 1 192 ? -9.24957  -23.91567 -8.08713  1.000 51.30744  ? 199 GLU A N   1 
ATOM   1421 C CA  . GLU A 1 192 ? -10.41406 -23.85481 -7.21550  1.000 55.79130  ? 199 GLU A CA  1 
ATOM   1422 C C   . GLU A 1 192 ? -11.17727 -22.55581 -7.43843  1.000 55.21633  ? 199 GLU A C   1 
ATOM   1423 O O   . GLU A 1 192 ? -10.57902 -21.48197 -7.55552  1.000 56.85648  ? 199 GLU A O   1 
ATOM   1424 C CB  . GLU A 1 192 ? -9.99143  -23.96735 -5.75007  1.000 50.36020  ? 199 GLU A CB  1 
ATOM   1425 C CG  . GLU A 1 192 ? -10.77620 -24.99323 -4.94883  1.000 73.88312  ? 199 GLU A CG  1 
ATOM   1426 C CD  . GLU A 1 192 ? -10.78666 -26.36048 -5.60163  1.000 80.12032  ? 199 GLU A CD  1 
ATOM   1427 O OE1 . GLU A 1 192 ? -11.86817 -26.80090 -6.04984  1.000 78.09666  ? 199 GLU A OE1 1 
ATOM   1428 O OE2 . GLU A 1 192 ? -9.71055  -26.99331 -5.66469  1.000 82.98044  ? 199 GLU A OE2 1 
ATOM   1429 N N   . GLU A 1 193 ? -12.50805 -22.66315 -7.47722  1.000 50.17964  ? 200 GLU A N   1 
ATOM   1430 C CA  . GLU A 1 193 ? -13.34638 -21.51140 -7.80082  1.000 52.60506  ? 200 GLU A CA  1 
ATOM   1431 C C   . GLU A 1 193 ? -13.14735 -20.37988 -6.79807  1.000 49.30408  ? 200 GLU A C   1 
ATOM   1432 O O   . GLU A 1 193 ? -12.95082 -19.22110 -7.18326  1.000 42.45497  ? 200 GLU A O   1 
ATOM   1433 C CB  . GLU A 1 193 ? -14.81654 -21.93523 -7.85102  1.000 44.67887  ? 200 GLU A CB  1 
ATOM   1434 C CG  . GLU A 1 193 ? -15.80503 -20.77774 -7.78719  1.000 54.64996  ? 200 GLU A CG  1 
ATOM   1435 C CD  . GLU A 1 193 ? -17.23291 -21.19893 -8.10135  1.000 70.87412  ? 200 GLU A CD  1 
ATOM   1436 O OE1 . GLU A 1 193 ? -17.49883 -22.41870 -8.16816  1.000 71.02226  ? 200 GLU A OE1 1 
ATOM   1437 O OE2 . GLU A 1 193 ? -18.09236 -20.30779 -8.27300  1.000 67.70903  ? 200 GLU A OE2 1 
ATOM   1438 N N   . ARG A 1 194 ? -13.18872 -20.69918 -5.50071  1.000 50.90112  ? 201 ARG A N   1 
ATOM   1439 C CA  . ARG A 1 194 ? -13.08361 -19.65775 -4.48329  1.000 46.18389  ? 201 ARG A CA  1 
ATOM   1440 C C   . ARG A 1 194 ? -11.70112 -19.01566 -4.46440  1.000 50.78795  ? 201 ARG A C   1 
ATOM   1441 O O   . ARG A 1 194 ? -11.58211 -17.82082 -4.16895  1.000 49.46770  ? 201 ARG A O   1 
ATOM   1442 C CB  . ARG A 1 194 ? -13.43611 -20.22709 -3.10765  1.000 54.10823  ? 201 ARG A CB  1 
ATOM   1443 C CG  . ARG A 1 194 ? -12.43186 -21.22172 -2.55769  1.000 68.62048  ? 201 ARG A CG  1 
ATOM   1444 C CD  . ARG A 1 194 ? -13.08621 -22.21040 -1.60623  1.000 72.51902  ? 201 ARG A CD  1 
ATOM   1445 N NE  . ARG A 1 194 ? -12.13724 -23.21428 -1.13971  1.000 73.23726  ? 201 ARG A NE  1 
ATOM   1446 C CZ  . ARG A 1 194 ? -12.20144 -23.81291 0.04155   1.000 79.81895  ? 201 ARG A CZ  1 
ATOM   1447 N NH1 . ARG A 1 194 ? -13.16960 -23.54135 0.90208   1.000 70.30872  ? 201 ARG A NH1 1 
ATOM   1448 N NH2 . ARG A 1 194 ? -11.26796 -24.70232 0.36981   1.000 83.62690  ? 201 ARG A NH2 1 
ATOM   1449 N N   . ARG A 1 195 ? -10.65166 -19.77830 -4.78350  1.000 51.13232  ? 202 ARG A N   1 
ATOM   1450 C CA  . ARG A 1 195 ? -9.31328  -19.19952 -4.83684  1.000 43.63025  ? 202 ARG A CA  1 
ATOM   1451 C C   . ARG A 1 195 ? -9.18545  -18.21900 -5.99546  1.000 44.10513  ? 202 ARG A C   1 
ATOM   1452 O O   . ARG A 1 195 ? -8.65662  -17.11428 -5.82414  1.000 39.15080  ? 202 ARG A O   1 
ATOM   1453 C CB  . ARG A 1 195 ? -8.26507  -20.30674 -4.95007  1.000 53.03575  ? 202 ARG A CB  1 
ATOM   1454 C CG  . ARG A 1 195 ? -6.81894  -19.82172 -4.90256  1.000 47.07348  ? 202 ARG A CG  1 
ATOM   1455 C CD  . ARG A 1 195 ? -6.48155  -19.18048 -3.56335  1.000 55.14767  ? 202 ARG A CD  1 
ATOM   1456 N NE  . ARG A 1 195 ? -5.06003  -18.87298 -3.45192  1.000 56.97588  ? 202 ARG A NE  1 
ATOM   1457 C CZ  . ARG A 1 195 ? -4.56498  -17.65775 -3.25781  1.000 52.40082  ? 202 ARG A CZ  1 
ATOM   1458 N NH1 . ARG A 1 195 ? -5.35178  -16.60061 -3.13922  1.000 53.06408  ? 202 ARG A NH1 1 
ATOM   1459 N NH2 . ARG A 1 195 ? -3.24702  -17.49946 -3.17981  1.000 45.05501  ? 202 ARG A NH2 1 
ATOM   1460 N N   . ILE A 1 196 ? -9.67249  -18.59998 -7.17942  1.000 42.72357  ? 203 ILE A N   1 
ATOM   1461 C CA  . ILE A 1 196 ? -9.60393  -17.70507 -8.33098  1.000 44.13863  ? 203 ILE A CA  1 
ATOM   1462 C C   . ILE A 1 196 ? -10.43307 -16.45197 -8.08408  1.000 45.48882  ? 203 ILE A C   1 
ATOM   1463 O O   . ILE A 1 196 ? -9.98990  -15.33301 -8.37156  1.000 45.36022  ? 203 ILE A O   1 
ATOM   1464 C CB  . ILE A 1 196 ? -10.05086 -18.43623 -9.61043  1.000 37.45915  ? 203 ILE A CB  1 
ATOM   1465 C CG1 . ILE A 1 196 ? -9.15569  -19.64701 -9.87822  1.000 45.88120  ? 203 ILE A CG1 1 
ATOM   1466 C CG2 . ILE A 1 196 ? -10.02242 -17.49312 -10.79895 1.000 41.40013  ? 203 ILE A CG2 1 
ATOM   1467 C CD1 . ILE A 1 196 ? -9.80758  -20.71057 -10.73173 1.000 45.58383  ? 203 ILE A CD1 1 
ATOM   1468 N N   . LYS A 1 197 ? -11.64450 -16.61798 -7.54374  1.000 48.72030  ? 204 LYS A N   1 
ATOM   1469 C CA  . LYS A 1 197 ? -12.49153 -15.46828 -7.24234  1.000 47.78291  ? 204 LYS A CA  1 
ATOM   1470 C C   . LYS A 1 197 ? -11.78835 -14.50050 -6.29990  1.000 45.96044  ? 204 LYS A C   1 
ATOM   1471 O O   . LYS A 1 197 ? -11.78734 -13.28584 -6.53219  1.000 44.95316  ? 204 LYS A O   1 
ATOM   1472 C CB  . LYS A 1 197 ? -13.81694 -15.94078 -6.64005  1.000 49.82777  ? 204 LYS A CB  1 
ATOM   1473 C CG  . LYS A 1 197 ? -14.92155 -16.17098 -7.65968  1.000 58.36606  ? 204 LYS A CG  1 
ATOM   1474 C CD  . LYS A 1 197 ? -16.29830 -16.18131 -7.01070  1.000 66.08544  ? 204 LYS A CD  1 
ATOM   1475 C CE  . LYS A 1 197 ? -16.84871 -14.77241 -6.84516  1.000 77.23156  ? 204 LYS A CE  1 
ATOM   1476 N NZ  . LYS A 1 197 ? -18.01221 -14.51046 -7.74162  1.000 71.70494  ? 204 LYS A NZ  1 
ATOM   1477 N N   . GLU A 1 198 ? -11.16662 -15.02654 -5.24166  1.000 42.46871  ? 205 GLU A N   1 
ATOM   1478 C CA  . GLU A 1 198 ? -10.48383 -14.17654 -4.27156  1.000 45.46985  ? 205 GLU A CA  1 
ATOM   1479 C C   . GLU A 1 198 ? -9.35609  -13.38221 -4.92380  1.000 40.73400  ? 205 GLU A C   1 
ATOM   1480 O O   . GLU A 1 198 ? -9.15800  -12.20199 -4.61374  1.000 44.99322  ? 205 GLU A O   1 
ATOM   1481 C CB  . GLU A 1 198 ? -9.95873  -15.03847 -3.12044  1.000 43.11326  ? 205 GLU A CB  1 
ATOM   1482 C CG  . GLU A 1 198 ? -9.04720  -14.32661 -2.13043  1.000 45.89891  ? 205 GLU A CG  1 
ATOM   1483 C CD  . GLU A 1 198 ? -8.34920  -15.30006 -1.19798  1.000 46.96159  ? 205 GLU A CD  1 
ATOM   1484 O OE1 . GLU A 1 198 ? -7.87667  -16.34630 -1.68968  1.000 47.71836  ? 205 GLU A OE1 1 
ATOM   1485 O OE2 . GLU A 1 198 ? -8.27429  -15.02745 0.02088   1.000 50.58287  ? 205 GLU A OE2 1 
ATOM   1486 N N   . ILE A 1 199 ? -8.61836  -14.00327 -5.84440  1.000 39.29482  ? 206 ILE A N   1 
ATOM   1487 C CA  . ILE A 1 199 ? -7.50610  -13.30547 -6.48331  1.000 45.86165  ? 206 ILE A CA  1 
ATOM   1488 C C   . ILE A 1 199 ? -8.01947  -12.21646 -7.41811  1.000 43.34385  ? 206 ILE A C   1 
ATOM   1489 O O   . ILE A 1 199 ? -7.50489  -11.09197 -7.42470  1.000 44.03255  ? 206 ILE A O   1 
ATOM   1490 C CB  . ILE A 1 199 ? -6.59856  -14.30981 -7.21603  1.000 37.77742  ? 206 ILE A CB  1 
ATOM   1491 C CG1 . ILE A 1 199 ? -5.96088  -15.26646 -6.20686  1.000 45.79515  ? 206 ILE A CG1 1 
ATOM   1492 C CG2 . ILE A 1 199 ? -5.52442  -13.58437 -8.00831  1.000 40.13028  ? 206 ILE A CG2 1 
ATOM   1493 C CD1 . ILE A 1 199 ? -5.43039  -16.54040 -6.81782  1.000 51.36298  ? 206 ILE A CD1 1 
ATOM   1494 N N   . VAL A 1 200 ? -9.04477  -12.52672 -8.21231  1.000 40.73997  ? 207 VAL A N   1 
ATOM   1495 C CA  . VAL A 1 200 ? -9.61063  -11.53876 -9.12787  1.000 45.03583  ? 207 VAL A CA  1 
ATOM   1496 C C   . VAL A 1 200 ? -10.14002 -10.33625 -8.35154  1.000 47.80559  ? 207 VAL A C   1 
ATOM   1497 O O   . VAL A 1 200 ? -9.87297  -9.18096  -8.70361  1.000 48.48531  ? 207 VAL A O   1 
ATOM   1498 C CB  . VAL A 1 200 ? -10.70836 -12.18662 -9.99305  1.000 49.54575  ? 207 VAL A CB  1 
ATOM   1499 C CG1 . VAL A 1 200 ? -11.72299 -11.14917 -10.46310 1.000 48.17434  ? 207 VAL A CG1 1 
ATOM   1500 C CG2 . VAL A 1 200 ? -10.09425 -12.93972 -11.16563 1.000 39.58365  ? 207 VAL A CG2 1 
ATOM   1501 N N   . LYS A 1 201 ? -10.88855 -10.59199 -7.27206  1.000 44.12777  ? 208 LYS A N   1 
ATOM   1502 C CA  . LYS A 1 201 ? -11.44366 -9.50089  -6.47430  1.000 52.33272  ? 208 LYS A CA  1 
ATOM   1503 C C   . LYS A 1 201 ? -10.35405 -8.67915  -5.79946  1.000 56.69729  ? 208 LYS A C   1 
ATOM   1504 O O   . LYS A 1 201 ? -10.53851 -7.47846  -5.56920  1.000 59.35095  ? 208 LYS A O   1 
ATOM   1505 C CB  . LYS A 1 201 ? -12.40738 -10.04758 -5.41944  1.000 44.57919  ? 208 LYS A CB  1 
ATOM   1506 C CG  . LYS A 1 201 ? -13.82962 -10.25771 -5.91402  1.000 65.35444  ? 208 LYS A CG  1 
ATOM   1507 C CD  . LYS A 1 201 ? -14.40810 -11.55202 -5.36881  1.000 66.46419  ? 208 LYS A CD  1 
ATOM   1508 C CE  . LYS A 1 201 ? -15.92859 -11.53415 -5.36544  1.000 79.13185  ? 208 LYS A CE  1 
ATOM   1509 N NZ  . LYS A 1 201 ? -16.48925 -10.53539 -6.31634  1.000 77.66180  ? 208 LYS A NZ  1 
ATOM   1510 N N   . LYS A 1 202 ? -9.22096  -9.30198  -5.47471  1.000 50.45131  ? 209 LYS A N   1 
ATOM   1511 C CA  . LYS A 1 202 ? -8.15573  -8.59286  -4.77665  1.000 49.26231  ? 209 LYS A CA  1 
ATOM   1512 C C   . LYS A 1 202 ? -7.30676  -7.76102  -5.73271  1.000 53.04973  ? 209 LYS A C   1 
ATOM   1513 O O   . LYS A 1 202 ? -6.97034  -6.61204  -5.42649  1.000 48.30485  ? 209 LYS A O   1 
ATOM   1514 C CB  . LYS A 1 202 ? -7.28451  -9.59383  -4.01407  1.000 52.75052  ? 209 LYS A CB  1 
ATOM   1515 C CG  . LYS A 1 202 ? -5.97243  -9.03334  -3.49054  1.000 58.15159  ? 209 LYS A CG  1 
ATOM   1516 C CD  . LYS A 1 202 ? -5.35566  -9.95727  -2.44877  1.000 57.16372  ? 209 LYS A CD  1 
ATOM   1517 C CE  . LYS A 1 202 ? -4.12363  -9.32770  -1.81419  1.000 69.57454  ? 209 LYS A CE  1 
ATOM   1518 N NZ  . LYS A 1 202 ? -3.23404  -10.34028 -1.17551  1.000 70.36499  ? 209 LYS A NZ  1 
ATOM   1519 N N   . HIS A 1 203 ? -6.96668  -8.31068  -6.89882  1.000 49.44281  ? 210 HIS A N   1 
ATOM   1520 C CA  . HIS A 1 203 ? -5.96660  -7.70780  -7.76792  1.000 51.28973  ? 210 HIS A CA  1 
ATOM   1521 C C   . HIS A 1 203 ? -6.51596  -7.16144  -9.07682  1.000 51.15800  ? 210 HIS A C   1 
ATOM   1522 O O   . HIS A 1 203 ? -5.76554  -6.51330  -9.81374  1.000 50.68362  ? 210 HIS A O   1 
ATOM   1523 C CB  . HIS A 1 203 ? -4.86502  -8.72852  -8.08679  1.000 44.69268  ? 210 HIS A CB  1 
ATOM   1524 C CG  . HIS A 1 203 ? -4.05398  -9.12928  -6.89619  1.000 54.11707  ? 210 HIS A CG  1 
ATOM   1525 N ND1 . HIS A 1 203 ? -3.15923  -8.27745  -6.28441  1.000 56.64141  ? 210 HIS A ND1 1 
ATOM   1526 C CD2 . HIS A 1 203 ? -4.00760  -10.28896 -6.19890  1.000 56.18621  ? 210 HIS A CD2 1 
ATOM   1527 C CE1 . HIS A 1 203 ? -2.59445  -8.89609  -5.26274  1.000 59.81001  ? 210 HIS A CE1 1 
ATOM   1528 N NE2 . HIS A 1 203 ? -3.09154  -10.11791 -5.18916  1.000 64.74062  ? 210 HIS A NE2 1 
ATOM   1529 N N   . SER A 1 204 ? -7.78843  -7.39809  -9.39379  1.000 51.99398  ? 211 SER A N   1 
ATOM   1530 C CA  . SER A 1 204 ? -8.30539  -7.01697  -10.70221 1.000 45.92934  ? 211 SER A CA  1 
ATOM   1531 C C   . SER A 1 204 ? -9.76628  -6.59349  -10.60625 1.000 52.88373  ? 211 SER A C   1 
ATOM   1532 O O   . SER A 1 204 ? -10.57720 -6.91495  -11.47841 1.000 55.56417  ? 211 SER A O   1 
ATOM   1533 C CB  . SER A 1 204 ? -8.14617  -8.15666  -11.71098 1.000 48.86147  ? 211 SER A CB  1 
ATOM   1534 O OG  . SER A 1 204 ? -6.81702  -8.64967  -11.70816 1.000 54.32321  ? 211 SER A OG  1 
ATOM   1535 N N   . GLN A 1 205 ? -10.11582 -5.85442  -9.55216  1.000 60.94633  ? 212 GLN A N   1 
ATOM   1536 C CA  . GLN A 1 205 ? -11.50503 -5.45521  -9.36645  1.000 63.53621  ? 212 GLN A CA  1 
ATOM   1537 C C   . GLN A 1 205 ? -11.92807 -4.31804  -10.28837 1.000 66.83190  ? 212 GLN A C   1 
ATOM   1538 O O   . GLN A 1 205 ? -13.13170 -4.07806  -10.43773 1.000 73.76659  ? 212 GLN A O   1 
ATOM   1539 C CB  . GLN A 1 205 ? -11.75341 -5.04903  -7.91104  1.000 66.75365  ? 212 GLN A CB  1 
ATOM   1540 C CG  . GLN A 1 205 ? -10.51550 -4.57942  -7.16678  1.000 70.71154  ? 212 GLN A CG  1 
ATOM   1541 C CD  . GLN A 1 205 ? -10.84911 -4.02619  -5.79295  1.000 84.91006  ? 212 GLN A CD  1 
ATOM   1542 O OE1 . GLN A 1 205 ? -12.00962 -4.02544  -5.37671  1.000 81.09463  ? 212 GLN A OE1 1 
ATOM   1543 N NE2 . GLN A 1 205 ? -9.83300  -3.54841  -5.08264  1.000 83.37228  ? 212 GLN A NE2 1 
ATOM   1544 N N   . PHE A 1 206 ? -10.98017 -3.61643  -10.91290 1.000 62.63442  ? 213 PHE A N   1 
ATOM   1545 C CA  . PHE A 1 206 ? -11.30348 -2.45076  -11.72847 1.000 63.15276  ? 213 PHE A CA  1 
ATOM   1546 C C   . PHE A 1 206 ? -10.93177 -2.63829  -13.19744 1.000 55.78643  ? 213 PHE A C   1 
ATOM   1547 O O   . PHE A 1 206 ? -10.73238 -1.65101  -13.91192 1.000 62.53539  ? 213 PHE A O   1 
ATOM   1548 C CB  . PHE A 1 206 ? -10.62694 -1.20115  -11.16116 1.000 60.33299  ? 213 PHE A CB  1 
ATOM   1549 C CG  . PHE A 1 206 ? -11.05569 -0.86294  -9.76025  1.000 69.96512  ? 213 PHE A CG  1 
ATOM   1550 C CD1 . PHE A 1 206 ? -12.16597 -0.06846  -9.53166  1.000 73.31242  ? 213 PHE A CD1 1 
ATOM   1551 C CD2 . PHE A 1 206 ? -10.34297 -1.33288  -8.67131  1.000 73.67003  ? 213 PHE A CD2 1 
ATOM   1552 C CE1 . PHE A 1 206 ? -12.55875 0.24250   -8.24099  1.000 76.93172  ? 213 PHE A CE1 1 
ATOM   1553 C CE2 . PHE A 1 206 ? -10.73242 -1.02133  -7.38112  1.000 71.00856  ? 213 PHE A CE2 1 
ATOM   1554 C CZ  . PHE A 1 206 ? -11.83955 -0.23280  -7.16745  1.000 71.38575  ? 213 PHE A CZ  1 
ATOM   1555 N N   . ILE A 1 207 ? -10.84517 -3.88321  -13.66608 1.000 55.68934  ? 214 ILE A N   1 
ATOM   1556 C CA  . ILE A 1 207 ? -10.61307 -4.14397  -15.08215 1.000 47.65184  ? 214 ILE A CA  1 
ATOM   1557 C C   . ILE A 1 207 ? -11.85830 -3.75804  -15.87204 1.000 56.82532  ? 214 ILE A C   1 
ATOM   1558 O O   . ILE A 1 207 ? -12.98581 -4.09801  -15.48989 1.000 60.09500  ? 214 ILE A O   1 
ATOM   1559 C CB  . ILE A 1 207 ? -10.24139 -5.61917  -15.29681 1.000 46.51443  ? 214 ILE A CB  1 
ATOM   1560 C CG1 . ILE A 1 207 ? -8.91314  -5.94521  -14.60245 1.000 51.43153  ? 214 ILE A CG1 1 
ATOM   1561 C CG2 . ILE A 1 207 ? -10.17811 -5.95577  -16.77967 1.000 41.88686  ? 214 ILE A CG2 1 
ATOM   1562 C CD1 . ILE A 1 207 ? -7.77050  -5.02825  -14.97791 1.000 45.79857  ? 214 ILE A CD1 1 
ATOM   1563 N N   . GLY A 1 208 ? -11.66243 -3.04494  -16.98024 1.000 54.85380  ? 215 GLY A N   1 
ATOM   1564 C CA  . GLY A 1 208 ? -12.77465 -2.47896  -17.72263 1.000 52.52807  ? 215 GLY A CA  1 
ATOM   1565 C C   . GLY A 1 208 ? -13.42095 -3.39147  -18.74521 1.000 50.53139  ? 215 GLY A C   1 
ATOM   1566 O O   . GLY A 1 208 ? -13.95302 -2.92195  -19.75440 1.000 49.49556  ? 215 GLY A O   1 
ATOM   1567 N N   . TYR A 1 209 ? -13.38874 -4.69456  -18.49801 1.000 49.32711  ? 216 TYR A N   1 
ATOM   1568 C CA  . TYR A 1 209 ? -14.00560 -5.68012  -19.36854 1.000 44.95211  ? 216 TYR A CA  1 
ATOM   1569 C C   . TYR A 1 209 ? -14.57875 -6.80283  -18.51806 1.000 50.49745  ? 216 TYR A C   1 
ATOM   1570 O O   . TYR A 1 209 ? -14.06107 -7.08899  -17.42939 1.000 51.71136  ? 216 TYR A O   1 
ATOM   1571 C CB  . TYR A 1 209 ? -13.00197 -6.25927  -20.37965 1.000 43.88101  ? 216 TYR A CB  1 
ATOM   1572 C CG  . TYR A 1 209 ? -12.35960 -5.21386  -21.26060 1.000 52.64656  ? 216 TYR A CG  1 
ATOM   1573 C CD1 . TYR A 1 209 ? -12.98264 -4.78014  -22.42338 1.000 48.68155  ? 216 TYR A CD1 1 
ATOM   1574 C CD2 . TYR A 1 209 ? -11.12627 -4.66324  -20.93101 1.000 51.20771  ? 216 TYR A CD2 1 
ATOM   1575 C CE1 . TYR A 1 209 ? -12.40182 -3.82300  -23.23029 1.000 48.59676  ? 216 TYR A CE1 1 
ATOM   1576 C CE2 . TYR A 1 209 ? -10.53618 -3.70579  -21.73388 1.000 52.19587  ? 216 TYR A CE2 1 
ATOM   1577 C CZ  . TYR A 1 209 ? -11.17917 -3.29093  -22.88116 1.000 53.12050  ? 216 TYR A CZ  1 
ATOM   1578 O OH  . TYR A 1 209 ? -10.59213 -2.33969  -23.67976 1.000 55.22350  ? 216 TYR A OH  1 
ATOM   1579 N N   . PRO A 1 210 ? -15.64545 -7.45153  -18.98209 1.000 42.61187  ? 217 PRO A N   1 
ATOM   1580 C CA  . PRO A 1 210 ? -16.27147 -8.50587  -18.17201 1.000 45.12345  ? 217 PRO A CA  1 
ATOM   1581 C C   . PRO A 1 210 ? -15.35786 -9.71834  -18.05424 1.000 48.72259  ? 217 PRO A C   1 
ATOM   1582 O O   . PRO A 1 210 ? -14.79183 -10.18630 -19.04487 1.000 41.40085  ? 217 PRO A O   1 
ATOM   1583 C CB  . PRO A 1 210 ? -17.55822 -8.83779  -18.93877 1.000 44.80290  ? 217 PRO A CB  1 
ATOM   1584 C CG  . PRO A 1 210 ? -17.33564 -8.34920  -20.32280 1.000 54.54281  ? 217 PRO A CG  1 
ATOM   1585 C CD  . PRO A 1 210 ? -16.36279 -7.21150  -20.24873 1.000 50.41677  ? 217 PRO A CD  1 
ATOM   1586 N N   . ILE A 1 211 ? -15.21699 -10.21876 -16.82970 1.000 43.72182  ? 218 ILE A N   1 
ATOM   1587 C CA  . ILE A 1 211 ? -14.40652 -11.39349 -16.53034 1.000 37.63017  ? 218 ILE A CA  1 
ATOM   1588 C C   . ILE A 1 211 ? -15.34170 -12.50548 -16.09112 1.000 42.15953  ? 218 ILE A C   1 
ATOM   1589 O O   . ILE A 1 211 ? -15.97841 -12.40650 -15.03576 1.000 49.57617  ? 218 ILE A O   1 
ATOM   1590 C CB  . ILE A 1 211 ? -13.36373 -11.10757 -15.44028 1.000 37.97143  ? 218 ILE A CB  1 
ATOM   1591 C CG1 . ILE A 1 211 ? -12.38461 -10.02382 -15.89587 1.000 44.36338  ? 218 ILE A CG1 1 
ATOM   1592 C CG2 . ILE A 1 211 ? -12.62918 -12.38722 -15.07108 1.000 37.55845  ? 218 ILE A CG2 1 
ATOM   1593 C CD1 . ILE A 1 211 ? -11.44792 -9.56550  -14.79678 1.000 39.15566  ? 218 ILE A CD1 1 
ATOM   1594 N N   . THR A 1 212 ? -15.41474 -13.56633 -16.88427 1.000 38.42115  ? 219 THR A N   1 
ATOM   1595 C CA  . THR A 1 212 ? -16.28337 -14.69711 -16.59320 1.000 41.67925  ? 219 THR A CA  1 
ATOM   1596 C C   . THR A 1 212 ? -15.43564 -15.85872 -16.09768 1.000 37.69519  ? 219 THR A C   1 
ATOM   1597 O O   . THR A 1 212 ? -14.52409 -16.30993 -16.79917 1.000 42.96236  ? 219 THR A O   1 
ATOM   1598 C CB  . THR A 1 212 ? -17.08652 -15.09938 -17.82835 1.000 39.75089  ? 219 THR A CB  1 
ATOM   1599 O OG1 . THR A 1 212 ? -17.84311 -13.97276 -18.28213 1.000 42.88115  ? 219 THR A OG1 1 
ATOM   1600 C CG2 . THR A 1 212 ? -18.03678 -16.23552 -17.49568 1.000 40.55285  ? 219 THR A CG2 1 
ATOM   1601 N N   . LEU A 1 213 ? -15.72485 -16.32693 -14.88632 1.000 38.85851  ? 220 LEU A N   1 
ATOM   1602 C CA  . LEU A 1 213 ? -15.05253 -17.48493 -14.31053 1.000 37.22096  ? 220 LEU A CA  1 
ATOM   1603 C C   . LEU A 1 213 ? -15.91215 -18.71421 -14.58419 1.000 41.70604  ? 220 LEU A C   1 
ATOM   1604 O O   . LEU A 1 213 ? -16.99461 -18.86645 -14.00714 1.000 42.74144  ? 220 LEU A O   1 
ATOM   1605 C CB  . LEU A 1 213 ? -14.81240 -17.29242 -12.81497 1.000 35.87794  ? 220 LEU A CB  1 
ATOM   1606 C CG  . LEU A 1 213 ? -14.30407 -18.51639 -12.05093 1.000 39.41395  ? 220 LEU A CG  1 
ATOM   1607 C CD1 . LEU A 1 213 ? -13.00473 -19.03037 -12.65371 1.000 35.36353  ? 220 LEU A CD1 1 
ATOM   1608 C CD2 . LEU A 1 213 ? -14.12207 -18.19608 -10.57826 1.000 40.59340  ? 220 LEU A CD2 1 
ATOM   1609 N N   . PHE A 1 214 ? -15.43562 -19.57601 -15.47785 1.000 38.15421  ? 221 PHE A N   1 
ATOM   1610 C CA  . PHE A 1 214 ? -16.14207 -20.80662 -15.79654 1.000 37.26801  ? 221 PHE A CA  1 
ATOM   1611 C C   . PHE A 1 214 ? -16.11337 -21.75283 -14.59972 1.000 52.08697  ? 221 PHE A C   1 
ATOM   1612 O O   . PHE A 1 214 ? -15.18131 -21.73978 -13.79081 1.000 52.14208  ? 221 PHE A O   1 
ATOM   1613 C CB  . PHE A 1 214 ? -15.51012 -21.49610 -17.01137 1.000 44.80402  ? 221 PHE A CB  1 
ATOM   1614 C CG  . PHE A 1 214 ? -15.79804 -20.82369 -18.33718 1.000 45.40677  ? 221 PHE A CG  1 
ATOM   1615 C CD1 . PHE A 1 214 ? -15.89647 -19.44296 -18.44165 1.000 40.89017  ? 221 PHE A CD1 1 
ATOM   1616 C CD2 . PHE A 1 214 ? -15.95026 -21.58501 -19.48550 1.000 39.21889  ? 221 PHE A CD2 1 
ATOM   1617 C CE1 . PHE A 1 214 ? -16.14905 -18.83852 -19.65903 1.000 33.39986  ? 221 PHE A CE1 1 
ATOM   1618 C CE2 . PHE A 1 214 ? -16.20308 -20.98618 -20.70290 1.000 37.49442  ? 221 PHE A CE2 1 
ATOM   1619 C CZ  . PHE A 1 214 ? -16.30333 -19.61169 -20.78947 1.000 36.53027  ? 221 PHE A CZ  1 
ATOM   1620 N N   . VAL A 1 215 ? -17.14623 -22.58220 -14.49353 1.000 48.28730  ? 222 VAL A N   1 
ATOM   1621 C CA  . VAL A 1 215 ? -17.23004 -23.59395 -13.45253 1.000 38.71271  ? 222 VAL A CA  1 
ATOM   1622 C C   . VAL A 1 215 ? -17.12208 -24.97387 -14.09854 1.000 49.71347  ? 222 VAL A C   1 
ATOM   1623 O O   . VAL A 1 215 ? -17.21034 -25.12515 -15.31649 1.000 51.13316  ? 222 VAL A O   1 
ATOM   1624 C CB  . VAL A 1 215 ? -18.51804 -23.45659 -12.61912 1.000 50.89819  ? 222 VAL A CB  1 
ATOM   1625 C CG1 . VAL A 1 215 ? -18.58664 -22.07152 -11.99452 1.000 60.41412  ? 222 VAL A CG1 1 
ATOM   1626 C CG2 . VAL A 1 215 ? -19.73688 -23.68551 -13.48632 1.000 48.70107  ? 222 VAL A CG2 1 
ATOM   1627 N N   . GLU A 1 216 ? -16.92200 -25.99051 -13.26468 1.000 48.58416  ? 223 GLU A N   1 
ATOM   1628 C CA  . GLU A 1 216 ? -16.64731 -27.33722 -13.74076 1.000 56.84544  ? 223 GLU A CA  1 
ATOM   1629 C C   . GLU A 1 216 ? -17.77366 -28.28967 -13.36249 1.000 59.76825  ? 223 GLU A C   1 
ATOM   1630 O O   . GLU A 1 216 ? -18.55866 -28.02850 -12.44818 1.000 62.10539  ? 223 GLU A O   1 
ATOM   1631 C CB  . GLU A 1 216 ? -15.32155 -27.85898 -13.18166 1.000 51.74658  ? 223 GLU A CB  1 
ATOM   1632 C CG  . GLU A 1 216 ? -14.10667 -27.19400 -13.78567 1.000 55.31584  ? 223 GLU A CG  1 
ATOM   1633 C CD  . GLU A 1 216 ? -12.82639 -27.92093 -13.44588 1.000 61.39315  ? 223 GLU A CD  1 
ATOM   1634 O OE1 . GLU A 1 216 ? -12.60126 -29.02238 -13.99392 1.000 61.01178  ? 223 GLU A OE1 1 
ATOM   1635 O OE2 . GLU A 1 216 ? -12.05207 -27.39121 -12.62013 1.000 58.23609  ? 223 GLU A OE2 1 
ATOM   1636 N N   . LYS A 1 217 ? -17.83153 -29.40852 -14.08161 1.000 65.28983  ? 224 LYS A N   1 
ATOM   1637 C CA  . LYS A 1 217 ? -18.84915 -30.43580 -13.87252 1.000 72.43860  ? 224 LYS A CA  1 
ATOM   1638 C C   . LYS A 1 217 ? -18.83837 -30.98141 -12.44404 1.000 85.96772  ? 224 LYS A C   1 
ATOM   1639 O O   . LYS A 1 217 ? -17.81691 -30.93947 -11.75583 1.000 78.23833  ? 224 LYS A O   1 
ATOM   1640 C CB  . LYS A 1 217 ? -18.65259 -31.58396 -14.86946 1.000 79.52965  ? 224 LYS A CB  1 
ATOM   1641 C CG  . LYS A 1 217 ? -17.46793 -32.49039 -14.55491 1.000 87.29376  ? 224 LYS A CG  1 
ATOM   1642 C CD  . LYS A 1 217 ? -17.48071 -33.74942 -15.41323 1.000 91.63075  ? 224 LYS A CD  1 
ATOM   1643 C CE  . LYS A 1 217 ? -16.08727 -34.35257 -15.53140 1.000 92.73309  ? 224 LYS A CE  1 
ATOM   1644 N NZ  . LYS A 1 217 ? -15.56095 -34.79220 -14.20896 1.000 87.59274  ? 224 LYS A NZ  1 
HETATM 1645 O O11 . 72R B 2 .   ? -13.55354 -14.44585 -10.63930 0.833 55.28214  ? 301 72R A O11 1 
HETATM 1646 C C8  . 72R B 2 .   ? -14.32644 -13.50732 -10.67983 0.833 56.04282  ? 301 72R A C8  1 
HETATM 1647 N N7  . 72R B 2 .   ? -14.95045 -12.98311 -11.76009 0.833 61.79758  ? 301 72R A N7  1 
HETATM 1648 C C6  . 72R B 2 .   ? -15.77297 -11.89686 -11.40034 0.833 64.25466  ? 301 72R A C6  1 
HETATM 1649 C C5  . 72R B 2 .   ? -16.56361 -11.11030 -12.21810 0.833 72.55950  ? 301 72R A C5  1 
HETATM 1650 C C4  . 72R B 2 .   ? -17.29480 -10.08674 -11.62881 0.833 74.05747  ? 301 72R A C4  1 
HETATM 1651 C C3  . 72R B 2 .   ? -17.21422 -9.88441  -10.26809 0.833 79.07023  ? 301 72R A C3  1 
HETATM 1652 F F10 . 72R B 2 .   ? -17.94500 -8.87093  -9.72423  0.833 81.76378  ? 301 72R A F10 1 
HETATM 1653 C C2  . 72R B 2 .   ? -16.44002 -10.64396 -9.42666  0.833 76.54987  ? 301 72R A C2  1 
HETATM 1654 C C1  . 72R B 2 .   ? -15.71085 -11.66561 -10.02122 0.833 69.71825  ? 301 72R A C1  1 
HETATM 1655 C C9  . 72R B 2 .   ? -14.79447 -12.66197 -9.45862  0.833 64.84308  ? 301 72R A C9  1 
HETATM 1656 O O12 . 72R B 2 .   ? -14.42974 -12.85495 -8.32830  0.833 73.88679  ? 301 72R A O12 1 
HETATM 1657 O O   . HOH C 3 .   ? 3.53399   -26.25608 -37.94301 1.000 63.95032  ? 401 HOH A O   1 
HETATM 1658 O O   . HOH C 3 .   ? -19.18729 -12.57797 -8.11730  1.000 70.61704  ? 402 HOH A O   1 
HETATM 1659 O O   . HOH C 3 .   ? 2.68584   -26.59342 -29.90267 1.000 61.90654  ? 403 HOH A O   1 
HETATM 1660 O O   . HOH C 3 .   ? -1.56232  -14.17580 -35.55963 1.000 49.42254  ? 404 HOH A O   1 
HETATM 1661 O O   . HOH C 3 .   ? 7.55825   -28.51073 -23.65395 1.000 49.95761  ? 405 HOH A O   1 
HETATM 1662 O O   . HOH C 3 .   ? -5.99505  -8.58344  -34.80871 1.000 53.60057  ? 406 HOH A O   1 
HETATM 1663 O O   . HOH C 3 .   ? 1.05593   -20.86486 -4.62868  1.000 54.06970  ? 407 HOH A O   1 
HETATM 1664 O O   . HOH C 3 .   ? -0.62929  -10.91958 -2.99052  1.000 57.26445  ? 408 HOH A O   1 
HETATM 1665 O O   . HOH C 3 .   ? 9.85687   -17.09836 -7.74217  1.000 48.97256  ? 409 HOH A O   1 
HETATM 1666 O O   . HOH C 3 .   ? 4.19445   -24.58517 -30.64352 1.000 44.66515  ? 410 HOH A O   1 
HETATM 1667 O O   . HOH C 3 .   ? -0.20197  -5.33613  -18.71321 1.000 50.04820  ? 411 HOH A O   1 
HETATM 1668 O O   . HOH C 3 .   ? 18.26872  -19.17531 -24.59698 1.000 44.87686  ? 412 HOH A O   1 
HETATM 1669 O O   . HOH C 3 .   ? -5.17001  -7.41133  -13.35958 1.000 46.44095  ? 413 HOH A O   1 
HETATM 1670 O O   . HOH C 3 .   ? 6.13981   -25.47076 -6.72356  1.000 59.88844  ? 414 HOH A O   1 
HETATM 1671 O O   . HOH C 3 .   ? 6.85159   -27.10421 -27.37435 1.000 49.97721  ? 415 HOH A O   1 
HETATM 1672 O O   . HOH C 3 .   ? -8.94926  -2.21707  -18.01076 1.000 48.51685  ? 416 HOH A O   1 
HETATM 1673 O O   . HOH C 3 .   ? -16.06658 -12.64899 -20.03791 1.000 45.15724  ? 417 HOH A O   1 
HETATM 1674 O O   . HOH C 3 .   ? 13.65463  -14.58584 -26.81791 1.000 43.56035  ? 418 HOH A O   1 
HETATM 1675 O O   . HOH C 3 .   ? -13.23179 -26.55483 -17.81563 1.000 48.89895  ? 419 HOH A O   1 
HETATM 1676 O O   . HOH C 3 .   ? 15.59712  -20.25292 -18.40754 1.000 41.82418  ? 420 HOH A O   1 
HETATM 1677 O O   . HOH C 3 .   ? -8.17378  -24.96798 -18.69310 1.000 38.77593  ? 421 HOH A O   1 
HETATM 1678 O O   . HOH C 3 .   ? -5.04361  -10.75472 -27.47148 1.000 40.32287  ? 422 HOH A O   1 
HETATM 1679 O O   . HOH C 3 .   ? 11.84621  -28.40838 -34.09213 1.000 45.53627  ? 423 HOH A O   1 
HETATM 1680 O O   . HOH C 3 .   ? 7.21284   -30.06446 -20.29027 1.000 57.59977  ? 424 HOH A O   1 
HETATM 1681 O O   . HOH C 3 .   ? -15.08920 -11.31699 -29.94818 1.000 56.73149  ? 425 HOH A O   1 
HETATM 1682 O O   . HOH C 3 .   ? 8.89121   -15.96548 -27.84965 1.000 54.80827  ? 426 HOH A O   1 
HETATM 1683 O O   . HOH C 3 .   ? -1.03206  -7.80596  -24.11444 1.000 43.65992  ? 427 HOH A O   1 
HETATM 1684 O O   . HOH C 3 .   ? -4.96130  -14.46559 -22.64231 1.000 33.08760  ? 428 HOH A O   1 
HETATM 1685 O O   . HOH C 3 .   ? -15.84739 -25.98894 -17.53963 1.000 44.41519  ? 429 HOH A O   1 
HETATM 1686 O O   . HOH C 3 .   ? -1.68492  -25.49653 -4.51221  1.000 54.87303  ? 430 HOH A O   1 
HETATM 1687 O O   . HOH C 3 .   ? 10.69425  -25.80462 -23.29460 1.000 41.50662  ? 431 HOH A O   1 
HETATM 1688 O O   . HOH C 3 .   ? -5.64516  -31.49753 -11.26811 1.000 57.51330  ? 432 HOH A O   1 
HETATM 1689 O O   . HOH C 3 .   ? 9.29758   -26.69798 -16.61691 1.000 52.66750  ? 433 HOH A O   1 
HETATM 1690 O O   . HOH C 3 .   ? 13.26916  -26.02137 -35.40207 1.000 43.02219  ? 434 HOH A O   1 
HETATM 1691 O O   . HOH C 3 .   ? -17.15988 -5.64226  -23.55125 1.000 54.73588  ? 435 HOH A O   1 
HETATM 1692 O O   . HOH C 3 .   ? 3.82679   -6.79672  -18.21307 1.000 44.29412  ? 436 HOH A O   1 
HETATM 1693 O O   . HOH C 3 .   ? 3.18485   -20.16319 -2.65784  1.000 45.66445  ? 437 HOH A O   1 
HETATM 1694 O O   . HOH C 3 .   ? -3.32013  -11.14673 -24.15498 1.000 50.01966  ? 438 HOH A O   1 
HETATM 1695 O O   . HOH C 3 .   ? 13.96130  -20.53645 -20.55568 1.000 38.46406  ? 439 HOH A O   1 
HETATM 1696 O O   . HOH C 3 .   ? 0.46479   -29.94387 -16.04560 1.000 66.39070  ? 440 HOH A O   1 
HETATM 1697 O O   . HOH C 3 .   ? 5.14735   -30.27044 -11.46121 1.000 54.61572  ? 441 HOH A O   1 
HETATM 1698 O O   . HOH C 3 .   ? 1.72070   -7.89547  -16.96349 1.000 46.43797  ? 442 HOH A O   1 
HETATM 1699 O O   . HOH C 3 .   ? 11.62533  -28.97304 -29.78589 1.000 54.82521  ? 443 HOH A O   1 
HETATM 1700 O O   . HOH C 3 .   ? 8.74149   -20.19039 -4.28431  1.000 55.27538  ? 444 HOH A O   1 
HETATM 1701 O O   . HOH C 3 .   ? -18.87929 -10.71518 -33.61815 1.000 72.02909  ? 445 HOH A O   1 
HETATM 1702 O O   . HOH C 3 .   ? -14.00928 -18.73306 -24.41040 1.000 46.83266  ? 446 HOH A O   1 
HETATM 1703 O O   . HOH C 3 .   ? 13.06408  -6.86156  -26.56694 1.000 61.46929  ? 447 HOH A O   1 
HETATM 1704 O O   . HOH C 3 .   ? 8.36474   -18.33614 -6.76798  1.000 55.39238  ? 448 HOH A O   1 
HETATM 1705 O O   . HOH C 3 .   ? 10.794    -13.962   -1.258    1.000 48.45626  ? 449 HOH A O   1 
HETATM 1706 O O   . HOH C 3 .   ? -7.51933  -28.50108 -7.05538  1.000 55.85465  ? 450 HOH A O   1 
HETATM 1707 O O   . HOH C 3 .   ? 4.30803   -9.05543  -20.96848 1.000 53.18337  ? 451 HOH A O   1 
HETATM 1708 O O   . HOH C 3 .   ? -6.30360  -5.54882  -36.11449 1.000 58.39847  ? 452 HOH A O   1 
HETATM 1709 O O   . HOH C 3 .   ? -17.73808 -15.69819 -10.49783 1.000 57.60368  ? 453 HOH A O   1 
HETATM 1710 O O   . HOH C 3 .   ? 8.25813   -23.16408 -6.98057  1.000 63.36175  ? 454 HOH A O   1 
HETATM 1711 O O   . HOH C 3 .   ? 15.81263  -17.61012 -3.44195  1.000 54.60969  ? 455 HOH A O   1 
HETATM 1712 O O   . HOH C 3 .   ? -18.80766 -10.99022 -23.54032 1.000 56.07547  ? 456 HOH A O   1 
HETATM 1713 O O   . HOH C 3 .   ? -3.13371  -13.05729 -21.11135 1.000 47.67255  ? 457 HOH A O   1 
HETATM 1714 O O   . HOH C 3 .   ? -12.35031 -26.90299 -19.84563 1.000 37.63663  ? 458 HOH A O   1 
HETATM 1715 O O   . HOH C 3 .   ? 11.03357  -26.19830 -26.58391 1.000 49.07708  ? 459 HOH A O   1 
HETATM 1716 O O   . HOH C 3 .   ? -17.92508 -14.98297 -13.18787 1.000 49.03342  ? 460 HOH A O   1 
HETATM 1717 O O   . HOH C 3 .   ? 13.58196  -4.32948  -25.94552 1.000 58.75471  ? 461 HOH A O   1 
HETATM 1718 O O   . HOH C 3 .   ? 3.69874   -30.74831 -19.01439 1.000 67.21585  ? 462 HOH A O   1 
HETATM 1719 O O   . HOH C 3 .   ? -0.89784  -26.59939 -32.02119 1.000 58.81844  ? 463 HOH A O   1 
HETATM 1720 O O   . HOH C 3 .   ? 14.58053  -22.70116 -16.87959 1.000 49.51141  ? 464 HOH A O   1 
HETATM 1721 O O   . HOH C 3 .   ? -5.00565  -4.47802  -12.43327 1.000 52.04832  ? 465 HOH A O   1 
HETATM 1722 O O   . HOH C 3 .   ? -0.43486  -12.53232 -21.99908 1.000 52.44477  ? 466 HOH A O   1 
HETATM 1723 O O   . HOH C 3 .   ? -2.33325  -27.53153 -24.74992 1.000 55.98545  ? 467 HOH A O   1 
HETATM 1724 O O   . HOH C 3 .   ? -9.54096  -26.29832 -20.81704 1.000 48.57441  ? 468 HOH A O   1 
HETATM 1725 O O   . HOH C 3 .   ? -11.56102 -16.88003 -28.13702 1.000 59.83186  ? 469 HOH A O   1 
HETATM 1726 O O   . HOH C 3 .   ? -18.75155 -11.62959 -21.48427 1.000 48.71881  ? 470 HOH A O   1 
HETATM 1727 O O   . HOH C 3 .   ? -0.61327  -27.37983 -30.13179 1.000 65.92615  ? 471 HOH A O   1 
HETATM 1728 O O   . HOH C 3 .   ? 7.08831   -22.06733 -2.69674  1.000 54.92016  ? 472 HOH A O   1 
HETATM 1729 O O   . HOH C 3 .   ? -12.85843 -13.72686 -0.98291  1.000 64.14628  ? 473 HOH A O   1 
HETATM 1730 O O   . HOH C 3 .   ? -4.25015  -28.73476 -23.20966 1.000 50.19919  ? 474 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   ? 0.99508 1.07916 1.01208 0.12757  -0.05329 -0.27794 16  GLU A N   
2    C CA  . GLU A 9   ? 1.07722 1.15252 1.07305 0.14561  -0.05241 -0.24684 16  GLU A CA  
3    C C   . GLU A 9   ? 0.93757 1.00010 0.94083 0.14318  -0.05059 -0.21804 16  GLU A C   
4    O O   . GLU A 9   ? 0.88009 0.96331 0.88624 0.14389  -0.05951 -0.21325 16  GLU A O   
5    C CB  . GLU A 9   ? 1.13499 1.24684 1.10739 0.16492  -0.06485 -0.24645 16  GLU A CB  
6    C CG  . GLU A 9   ? 1.16592 1.27201 1.12030 0.18109  -0.06326 -0.21257 16  GLU A CG  
7    C CD  . GLU A 9   ? 1.23257 1.31553 1.17529 0.18824  -0.05233 -0.20204 16  GLU A CD  
8    O OE1 . GLU A 9   ? 1.09397 1.16710 1.02986 0.19525  -0.04760 -0.17463 16  GLU A OE1 
9    O OE2 . GLU A 9   ? 1.18962 1.26528 1.13093 0.18645  -0.04757 -0.22232 16  GLU A OE2 
10   N N   . VAL A 10  ? 0.86421 0.89491 0.86992 0.14150  -0.03867 -0.19954 17  VAL A N   
11   C CA  . VAL A 10  ? 0.76570 0.78565 0.77825 0.13797  -0.03619 -0.17489 17  VAL A CA  
12   C C   . VAL A 10  ? 0.69005 0.70579 0.68747 0.15035  -0.03346 -0.15007 17  VAL A C   
13   O O   . VAL A 10  ? 0.64776 0.64912 0.64033 0.15584  -0.02478 -0.14568 17  VAL A O   
14   C CB  . VAL A 10  ? 0.75057 0.74300 0.78149 0.12476  -0.02405 -0.17441 17  VAL A CB  
15   C CG1 . VAL A 10  ? 0.71976 0.70771 0.75544 0.12209  -0.02310 -0.15081 17  VAL A CG1 
16   C CG2 . VAL A 10  ? 0.66964 0.66536 0.71845 0.10981  -0.02375 -0.20149 17  VAL A CG2 
17   N N   . GLU A 11  ? 0.61520 0.64336 0.60641 0.15440  -0.03922 -0.13450 18  GLU A N   
18   C CA  . GLU A 11  ? 0.59419 0.62092 0.57466 0.16230  -0.03556 -0.11238 18  GLU A CA  
19   C C   . GLU A 11  ? 0.66506 0.68187 0.65661 0.15312  -0.03124 -0.09624 18  GLU A C   
20   O O   . GLU A 11  ? 0.54561 0.56428 0.54456 0.14525  -0.03475 -0.09530 18  GLU A O   
21   C CB  . GLU A 11  ? 0.55562 0.59877 0.52135 0.17231  -0.04093 -0.10578 18  GLU A CB  
22   C CG  . GLU A 11  ? 0.70448 0.76441 0.65482 0.18548  -0.04590 -0.11950 18  GLU A CG  
23   C CD  . GLU A 11  ? 0.81628 0.89045 0.74918 0.19954  -0.04807 -0.10772 18  GLU A CD  
24   O OE1 . GLU A 11  ? 0.76401 0.84677 0.69890 0.19981  -0.05308 -0.10698 18  GLU A OE1 
25   O OE2 . GLU A 11  ? 0.83786 0.91361 0.75472 0.21165  -0.04290 -0.09801 18  GLU A OE2 
26   N N   . THR A 12  ? 0.55832 0.56819 0.55045 0.15545  -0.02367 -0.08406 19  THR A N   
27   C CA  . THR A 12  ? 0.51376 0.52212 0.51435 0.14906  -0.02017 -0.06878 19  THR A CA  
28   C C   . THR A 12  ? 0.51065 0.53195 0.50542 0.15046  -0.02009 -0.05439 19  THR A C   
29   O O   . THR A 12  ? 0.54431 0.57139 0.53121 0.15902  -0.01683 -0.04972 19  THR A O   
30   C CB  . THR A 12  ? 0.59645 0.59434 0.60243 0.15261  -0.01105 -0.06356 19  THR A CB  
31   O OG1 . THR A 12  ? 0.58566 0.56576 0.59688 0.15051  -0.00719 -0.07896 19  THR A OG1 
32   C CG2 . THR A 12  ? 0.59235 0.59444 0.60629 0.14753  -0.00871 -0.04902 19  THR A CG2 
33   N N   . PHE A 13  ? 0.55523 0.58039 0.55444 0.14112  -0.02210 -0.04862 20  PHE A N   
34   C CA  . PHE A 13  ? 0.50087 0.53572 0.49761 0.13777  -0.01978 -0.03800 20  PHE A CA  
35   C C   . PHE A 13  ? 0.57021 0.61487 0.57683 0.12884  -0.01807 -0.03013 20  PHE A C   
36   O O   . PHE A 13  ? 0.57852 0.62000 0.59146 0.12518  -0.01948 -0.03155 20  PHE A O   
37   C CB  . PHE A 13  ? 0.55321 0.58376 0.54460 0.13445  -0.02166 -0.03984 20  PHE A CB  
38   C CG  . PHE A 13  ? 0.65172 0.67971 0.63187 0.14582  -0.02464 -0.04681 20  PHE A CG  
39   C CD1 . PHE A 13  ? 0.60815 0.63522 0.59082 0.14759  -0.03117 -0.06012 20  PHE A CD1 
40   C CD2 . PHE A 13  ? 0.65494 0.68451 0.62223 0.15480  -0.02016 -0.04028 20  PHE A CD2 
41   C CE1 . PHE A 13  ? 0.62320 0.65681 0.59570 0.15859  -0.03556 -0.06857 20  PHE A CE1 
42   C CE2 . PHE A 13  ? 0.72938 0.76203 0.68356 0.16841  -0.02337 -0.04565 20  PHE A CE2 
43   C CZ  . PHE A 13  ? 0.73241 0.77003 0.68913 0.17053  -0.03230 -0.06070 20  PHE A CZ  
44   N N   . ALA A 14  ? 0.54095 0.60037 0.54903 0.12517  -0.01436 -0.02228 21  ALA A N   
45   C CA  . ALA A 14  ? 0.53683 0.61426 0.55395 0.11515  -0.01407 -0.01752 21  ALA A CA  
46   C C   . ALA A 14  ? 0.51240 0.58639 0.52968 0.10124  -0.01383 -0.02142 21  ALA A C   
47   O O   . ALA A 14  ? 0.49888 0.56307 0.51063 0.09982  -0.00955 -0.02198 21  ALA A O   
48   C CB  . ALA A 14  ? 0.47351 0.57610 0.49589 0.11710  -0.00980 -0.00948 21  ALA A CB  
49   N N   . PHE A 15  ? 0.47666 0.55675 0.49876 0.09250  -0.01666 -0.02356 22  PHE A N   
50   C CA  . PHE A 15  ? 0.52189 0.59947 0.54436 0.07825  -0.01483 -0.02879 22  PHE A CA  
51   C C   . PHE A 15  ? 0.45834 0.55274 0.48593 0.06754  -0.00864 -0.02815 22  PHE A C   
52   O O   . PHE A 15  ? 0.46542 0.58579 0.49974 0.06911  -0.00856 -0.02351 22  PHE A O   
53   C CB  . PHE A 15  ? 0.49556 0.58197 0.52127 0.07166  -0.01879 -0.03162 22  PHE A CB  
54   C CG  . PHE A 15  ? 0.54450 0.61141 0.56741 0.07689  -0.02189 -0.03438 22  PHE A CG  
55   C CD1 . PHE A 15  ? 0.48033 0.52680 0.49899 0.07522  -0.02107 -0.04025 22  PHE A CD1 
56   C CD2 . PHE A 15  ? 0.53049 0.60041 0.55596 0.08396  -0.02381 -0.03050 22  PHE A CD2 
57   C CE1 . PHE A 15  ? 0.52816 0.56314 0.54749 0.07904  -0.02393 -0.04397 22  PHE A CE1 
58   C CE2 . PHE A 15  ? 0.47247 0.52556 0.49857 0.08605  -0.02462 -0.03427 22  PHE A CE2 
59   C CZ  . PHE A 15  ? 0.44725 0.48571 0.47145 0.08280  -0.02560 -0.04192 22  PHE A CZ  
60   N N   . GLN A 16  ? 0.50042 0.57992 0.52586 0.05664  -0.00171 -0.03301 23  GLN A N   
61   C CA  . GLN A 16  ? 0.52550 0.62048 0.55932 0.03997  0.00624  -0.03661 23  GLN A CA  
62   C C   . GLN A 16  ? 0.50453 0.63514 0.54795 0.02927  0.00006  -0.04221 23  GLN A C   
63   O O   . GLN A 16  ? 0.60256 0.73449 0.64288 0.03104  -0.00700 -0.04457 23  GLN A O   
64   C CB  . GLN A 16  ? 0.66257 0.72878 0.69198 0.02892  0.01743  -0.04237 23  GLN A CB  
65   C CG  . GLN A 16  ? 0.68542 0.73117 0.70997 0.03294  0.03053  -0.03559 23  GLN A CG  
66   C CD  . GLN A 16  ? 1.01894 1.02572 1.03239 0.03418  0.04110  -0.03587 23  GLN A CD  
67   O OE1 . GLN A 16  ? 1.08172 1.07334 1.09769 0.01939  0.05632  -0.04007 23  GLN A OE1 
68   N NE2 . GLN A 16  ? 0.97677 0.96786 0.97866 0.05205  0.03438  -0.03193 23  GLN A NE2 
69   N N   . ALA A 17  ? 0.54182 0.70537 0.59714 0.01884  0.00316  -0.04418 24  ALA A N   
70   C CA  . ALA A 17  ? 0.48625 0.69529 0.55059 0.01178  -0.00407 -0.04897 24  ALA A CA  
71   C C   . ALA A 17  ? 0.57895 0.78566 0.64047 -0.00274 -0.00559 -0.06209 24  ALA A C   
72   O O   . ALA A 17  ? 0.54456 0.77356 0.60369 0.00157  -0.01445 -0.06219 24  ALA A O   
73   C CB  . ALA A 17  ? 0.46806 0.71721 0.54849 -0.00046 0.00055  -0.05248 24  ALA A CB  
74   N N   . GLU A 18  ? 0.58158 0.75951 0.64181 -0.01840 0.00481  -0.07238 25  GLU A N   
75   C CA  . GLU A 18  ? 0.60875 0.78041 0.66511 -0.03219 0.00546  -0.08647 25  GLU A CA  
76   C C   . GLU A 18  ? 0.61954 0.76917 0.66313 -0.01692 -0.00169 -0.08076 25  GLU A C   
77   O O   . GLU A 18  ? 0.58682 0.75091 0.62714 -0.02080 -0.00701 -0.08759 25  GLU A O   
78   C CB  . GLU A 18  ? 0.62562 0.76179 0.68207 -0.04939 0.02201  -0.09692 25  GLU A CB  
79   C CG  . GLU A 18  ? 0.85682 1.01274 0.92883 -0.06948 0.03280  -0.10529 25  GLU A CG  
80   C CD  . GLU A 18  ? 0.78185 0.92518 0.85598 -0.05871 0.03999  -0.09030 25  GLU A CD  
81   O OE1 . GLU A 18  ? 0.79136 0.91327 0.85383 -0.03527 0.03498  -0.07492 25  GLU A OE1 
82   O OE2 . GLU A 18  ? 0.82231 0.97926 0.91026 -0.07446 0.05124  -0.09519 25  GLU A OE2 
83   N N   . ILE A 19  ? 0.57749 0.69546 0.61421 0.00012  -0.00152 -0.06928 26  ILE A N   
84   C CA  . ILE A 19  ? 0.58617 0.68531 0.61445 0.01251  -0.00707 -0.06563 26  ILE A CA  
85   C C   . ILE A 19  ? 0.55261 0.67902 0.58214 0.02281  -0.01690 -0.05857 26  ILE A C   
86   O O   . ILE A 19  ? 0.51897 0.64651 0.54431 0.02454  -0.02030 -0.05984 26  ILE A O   
87   C CB  . ILE A 19  ? 0.67087 0.73649 0.69322 0.02700  -0.00479 -0.05803 26  ILE A CB  
88   C CG1 . ILE A 19  ? 0.64231 0.67493 0.65853 0.02237  0.00590  -0.06273 26  ILE A CG1 
89   C CG2 . ILE A 19  ? 0.56595 0.62532 0.58536 0.04061  -0.01248 -0.05369 26  ILE A CG2 
90   C CD1 . ILE A 19  ? 0.73744 0.76517 0.75679 0.00840  0.01875  -0.06666 26  ILE A CD1 
91   N N   . ALA A 20  ? 0.48245 0.62992 0.51705 0.03131  -0.01954 -0.04970 27  ALA A N   
92   C CA  . ALA A 20  ? 0.51489 0.68668 0.54970 0.04374  -0.02554 -0.04045 27  ALA A CA  
93   C C   . ALA A 20  ? 0.53467 0.74424 0.56994 0.03551  -0.02921 -0.04581 27  ALA A C   
94   O O   . ALA A 20  ? 0.55890 0.77917 0.58911 0.04552  -0.03241 -0.03905 27  ALA A O   
95   C CB  . ALA A 20  ? 0.47717 0.66535 0.51714 0.05534  -0.02554 -0.03009 27  ALA A CB  
96   N N   . GLN A 21  ? 0.49717 0.72816 0.53823 0.01715  -0.02762 -0.05858 28  GLN A N   
97   C CA  . GLN A 21  ? 0.51988 0.79028 0.56061 0.00670  -0.03174 -0.06876 28  GLN A CA  
98   C C   . GLN A 21  ? 0.52101 0.76827 0.55113 0.00250  -0.03092 -0.07613 28  GLN A C   
99   O O   . GLN A 21  ? 0.55200 0.82394 0.57539 0.00719  -0.03568 -0.07523 28  GLN A O   
100  C CB  . GLN A 21  ? 0.63308 0.92926 0.68509 -0.01615 -0.02833 -0.08531 28  GLN A CB  
101  C CG  . GLN A 21  ? 0.85697 1.22170 0.91645 -0.01912 -0.03576 -0.08948 28  GLN A CG  
102  C CD  . GLN A 21  ? 1.00234 1.39361 1.07447 -0.04814 -0.03160 -0.11293 28  GLN A CD  
103  O OE1 . GLN A 21  ? 1.06373 1.43113 1.14516 -0.06148 -0.02144 -0.11829 28  GLN A OE1 
104  N NE2 . GLN A 21  ? 0.84738 1.28889 0.91977 -0.05836 -0.03813 -0.12775 28  GLN A NE2 
105  N N   . LEU A 22  ? 0.53477 0.73625 0.56232 -0.00410 -0.02399 -0.08212 29  LEU A N   
106  C CA  . LEU A 22  ? 0.48276 0.66100 0.50107 -0.00636 -0.02194 -0.08848 29  LEU A CA  
107  C C   . LEU A 22  ? 0.54958 0.72385 0.56211 0.01193  -0.02627 -0.07480 29  LEU A C   
108  O O   . LEU A 22  ? 0.49006 0.67256 0.49524 0.01211  -0.02725 -0.07750 29  LEU A O   
109  C CB  . LEU A 22  ? 0.58447 0.71482 0.60126 -0.01072 -0.01283 -0.09303 29  LEU A CB  
110  C CG  . LEU A 22  ? 0.64620 0.74853 0.65454 -0.00927 -0.00938 -0.09747 29  LEU A CG  
111  C CD1 . LEU A 22  ? 0.56287 0.68108 0.56627 -0.02469 -0.00724 -0.11409 29  LEU A CD1 
112  C CD2 . LEU A 22  ? 0.53520 0.59414 0.54191 -0.00713 -0.00034 -0.09736 29  LEU A CD2 
113  N N   . MET A 23  ? 0.51868 0.68010 0.53444 0.02684  -0.02728 -0.06079 30  MET A N   
114  C CA  . MET A 23  ? 0.52177 0.67222 0.53451 0.04166  -0.02773 -0.04939 30  MET A CA  
115  C C   . MET A 23  ? 0.55908 0.74472 0.56791 0.05098  -0.03026 -0.03965 30  MET A C   
116  O O   . MET A 23  ? 0.50914 0.69164 0.51211 0.05791  -0.02814 -0.03396 30  MET A O   
117  C CB  . MET A 23  ? 0.44990 0.57603 0.46757 0.05281  -0.02662 -0.04094 30  MET A CB  
118  C CG  . MET A 23  ? 0.50849 0.60148 0.52700 0.04925  -0.02431 -0.04805 30  MET A CG  
119  S SD  . MET A 23  ? 0.49899 0.57248 0.52154 0.06133  -0.02452 -0.04226 30  MET A SD  
120  C CE  . MET A 23  ? 0.49515 0.55862 0.52078 0.07084  -0.02331 -0.03685 30  MET A CE  
121  N N   . SER A 24  ? 0.52739 0.74890 0.53928 0.05296  -0.03370 -0.03630 31  SER A N   
122  C CA  . SER A 24  ? 0.52152 0.78250 0.52800 0.06577  -0.03597 -0.02509 31  SER A CA  
123  C C   . SER A 24  ? 0.47521 0.76665 0.47342 0.05632  -0.03921 -0.03616 31  SER A C   
124  O O   . SER A 24  ? 0.55482 0.86795 0.54320 0.06912  -0.03920 -0.02609 31  SER A O   
125  C CB  . SER A 24  ? 0.59044 0.88797 0.60359 0.07252  -0.03908 -0.01844 31  SER A CB  
126  O OG  . SER A 24  ? 0.76025 1.08364 0.78080 0.05318  -0.04282 -0.03520 31  SER A OG  
127  N N   . LEU A 25  ? 0.47665 0.76870 0.47748 0.03468  -0.04028 -0.05687 32  LEU A N   
128  C CA  . LEU A 25  ? 0.48844 0.80312 0.48044 0.02336  -0.04198 -0.07184 32  LEU A CA  
129  C C   . LEU A 25  ? 0.57458 0.85904 0.55600 0.02992  -0.03738 -0.06762 32  LEU A C   
130  O O   . LEU A 25  ? 0.57311 0.88307 0.54272 0.03627  -0.03846 -0.06540 32  LEU A O   
131  C CB  . LEU A 25  ? 0.49420 0.80326 0.49232 -0.00252 -0.03980 -0.09613 32  LEU A CB  
132  C CG  . LEU A 25  ? 0.70368 1.04686 0.69576 -0.01987 -0.04160 -0.11865 32  LEU A CG  
133  C CD1 . LEU A 25  ? 0.70708 1.04952 0.71069 -0.04603 -0.03710 -0.14114 32  LEU A CD1 
134  C CD2 . LEU A 25  ? 0.62916 0.94471 0.60783 -0.02051 -0.03701 -0.12442 32  LEU A CD2 
135  N N   . ILE A 26  ? 0.52943 0.76320 0.51503 0.02949  -0.03191 -0.06622 33  ILE A N   
136  C CA  . ILE A 26  ? 0.55560 0.76246 0.53510 0.03468  -0.02676 -0.06303 33  ILE A CA  
137  C C   . ILE A 26  ? 0.57202 0.78568 0.54755 0.05431  -0.02448 -0.04224 33  ILE A C   
138  O O   . ILE A 26  ? 0.60726 0.82221 0.57382 0.05960  -0.02030 -0.03831 33  ILE A O   
139  C CB  . ILE A 26  ? 0.55099 0.71033 0.53826 0.03155  -0.02238 -0.06602 33  ILE A CB  
140  C CG1 . ILE A 26  ? 0.48889 0.63528 0.47552 0.01461  -0.01978 -0.08490 33  ILE A CG1 
141  C CG2 . ILE A 26  ? 0.50869 0.64490 0.49526 0.04009  -0.01722 -0.05898 33  ILE A CG2 
142  C CD1 . ILE A 26  ? 0.57223 0.68134 0.56605 0.01438  -0.01622 -0.08526 33  ILE A CD1 
143  N N   . ILE A 27  ? 0.48612 0.70233 0.46761 0.06608  -0.02491 -0.02805 34  ILE A N   
144  C CA  . ILE A 27  ? 0.56509 0.77808 0.54346 0.08552  -0.01845 -0.00710 34  ILE A CA  
145  C C   . ILE A 27  ? 0.59191 0.85164 0.55696 0.09778  -0.01967 0.00305  34  ILE A C   
146  O O   . ILE A 27  ? 0.68025 0.93772 0.63661 0.11236  -0.01149 0.01860  34  ILE A O   
147  C CB  . ILE A 27  ? 0.62612 0.82105 0.61452 0.09455  -0.01630 0.00321  34  ILE A CB  
148  C CG1 . ILE A 27  ? 0.51053 0.65950 0.50919 0.08793  -0.01293 -0.00342 34  ILE A CG1 
149  C CG2 . ILE A 27  ? 0.62210 0.82201 0.60578 0.11644  -0.00802 0.02594  34  ILE A CG2 
150  C CD1 . ILE A 27  ? 0.47320 0.60715 0.48064 0.09209  -0.01319 -0.00081 34  ILE A CD1 
151  N N   . ASN A 28  ? 0.58478 0.88994 0.54803 0.09234  -0.02892 -0.00572 35  ASN A N   
152  C CA  . ASN A 28  ? 0.62148 0.98152 0.57293 0.10752  -0.03193 0.00489  35  ASN A CA  
153  C C   . ASN A 28  ? 0.59424 0.99210 0.53278 0.09809  -0.03733 -0.01074 35  ASN A C   
154  O O   . ASN A 28  ? 0.67173 1.11182 0.59555 0.11464  -0.03797 0.00046  35  ASN A O   
155  C CB  . ASN A 28  ? 0.55093 0.94947 0.51061 0.11102  -0.03903 0.00663  35  ASN A CB  
156  C CG  . ASN A 28  ? 0.68343 1.05059 0.65214 0.12531  -0.03253 0.02431  35  ASN A CG  
157  O OD1 . ASN A 28  ? 0.71803 1.06822 0.68075 0.14657  -0.02267 0.04611  35  ASN A OD1 
158  N ND2 . ASN A 28  ? 0.78462 1.14188 0.76717 0.11365  -0.03608 0.01465  35  ASN A ND2 
159  N N   . THR A 29  ? 0.59570 0.97990 0.53778 0.07365  -0.04000 -0.03597 36  THR A N   
160  C CA  . THR A 29  ? 0.57036 0.98728 0.49959 0.06297  -0.04371 -0.05448 36  THR A CA  
161  C C   . THR A 29  ? 0.62848 1.03027 0.54206 0.07530  -0.03580 -0.04377 36  THR A C   
162  O O   . THR A 29  ? 0.63691 0.98624 0.55510 0.07474  -0.02727 -0.03905 36  THR A O   
163  C CB  . THR A 29  ? 0.60588 1.00131 0.54289 0.03427  -0.04422 -0.08363 36  THR A CB  
164  O OG1 . THR A 29  ? 0.55173 0.96689 0.50305 0.02149  -0.04967 -0.09414 36  THR A OG1 
165  C CG2 . THR A 29  ? 0.64380 1.06564 0.56639 0.02247  -0.04555 -0.10524 36  THR A CG2 
166  N N   . PHE A 30  ? 0.57294 1.02441 0.46823 0.08715  -0.03826 -0.03982 37  PHE A N   
167  C CA  . PHE A 30  ? 0.59957 1.04056 0.47799 0.09845  -0.02939 -0.03037 37  PHE A CA  
168  C C   . PHE A 30  ? 0.72026 1.13624 0.59703 0.07651  -0.02752 -0.05624 37  PHE A C   
169  O O   . PHE A 30  ? 0.61124 1.05693 0.48324 0.05930  -0.03457 -0.08262 37  PHE A O   
170  C CB  . PHE A 30  ? 0.66835 1.17368 0.52431 0.11805  -0.03257 -0.02043 37  PHE A CB  
171  C CG  . PHE A 30  ? 0.67327 1.17063 0.50948 0.13075  -0.02192 -0.00979 37  PHE A CG  
172  C CD1 . PHE A 30  ? 0.74786 1.20943 0.58259 0.15174  -0.00673 0.02100  37  PHE A CD1 
173  C CD2 . PHE A 30  ? 0.66644 1.19028 0.48610 0.12065  -0.02513 -0.03166 37  PHE A CD2 
174  C CE1 . PHE A 30  ? 0.70148 1.15505 0.51942 0.16285  0.00547  0.03182  37  PHE A CE1 
175  C CE2 . PHE A 30  ? 0.70663 1.22381 0.50736 0.13328  -0.01420 -0.02118 37  PHE A CE2 
176  C CZ  . PHE A 30  ? 0.67232 1.15475 0.47266 0.15456  0.00135  0.01159  37  PHE A CZ  
177  N N   . TYR A 31  ? 0.58735 0.94957 0.46905 0.07690  -0.01693 -0.04980 38  TYR A N   
178  C CA  . TYR A 31  ? 0.60508 0.93842 0.48677 0.05935  -0.01322 -0.07159 38  TYR A CA  
179  C C   . TYR A 31  ? 0.62905 0.92426 0.51105 0.06929  -0.00054 -0.05677 38  TYR A C   
180  O O   . TYR A 31  ? 0.57960 0.83916 0.47751 0.07391  0.00448  -0.04280 38  TYR A O   
181  C CB  . TYR A 31  ? 0.59520 0.89714 0.49505 0.03985  -0.01605 -0.08845 38  TYR A CB  
182  C CG  . TYR A 31  ? 0.72463 0.99467 0.62363 0.02470  -0.01006 -0.10920 38  TYR A CG  
183  C CD1 . TYR A 31  ? 0.60242 0.89420 0.48869 0.01068  -0.01103 -0.13435 38  TYR A CD1 
184  C CD2 . TYR A 31  ? 0.61518 0.83526 0.52603 0.02519  -0.00270 -0.10462 38  TYR A CD2 
185  C CE1 . TYR A 31  ? 0.65459 0.91295 0.53887 -0.00135 -0.00281 -0.15281 38  TYR A CE1 
186  C CE2 . TYR A 31  ? 0.62140 0.81348 0.53075 0.01512  0.00409  -0.12139 38  TYR A CE2 
187  C CZ  . TYR A 31  ? 0.75447 0.96266 0.65001 0.00243  0.00502  -0.14466 38  TYR A CZ  
188  O OH  . TYR A 31  ? 0.85411 1.03023 0.74704 -0.00595 0.01442  -0.16094 38  TYR A OH  
189  N N   . SER A 32  ? 0.60714 0.91201 0.47246 0.07160  0.00514  -0.06147 39  SER A N   
190  C CA  . SER A 32  ? 0.61300 0.89232 0.47754 0.08321  0.01883  -0.04466 39  SER A CA  
191  C C   . SER A 32  ? 0.60377 0.83835 0.48212 0.07146  0.02516  -0.05635 39  SER A C   
192  O O   . SER A 32  ? 0.60120 0.80975 0.48945 0.07828  0.03588  -0.04232 39  SER A O   
193  C CB  . SER A 32  ? 0.63999 0.95445 0.47823 0.09493  0.02359  -0.04076 39  SER A CB  
194  O OG  . SER A 32  ? 0.65134 1.00676 0.47662 0.11323  0.02065  -0.02185 39  SER A OG  
195  N N   . ASN A 33  ? 0.60138 0.82708 0.48164 0.05456  0.02027  -0.08131 40  ASN A N   
196  C CA  . ASN A 33  ? 0.59680 0.78297 0.48789 0.04686  0.02698  -0.09169 40  ASN A CA  
197  C C   . ASN A 33  ? 0.58791 0.74261 0.50270 0.04488  0.02486  -0.08563 40  ASN A C   
198  O O   . ASN A 33  ? 0.58444 0.71966 0.50672 0.03470  0.02224  -0.09910 40  ASN A O   
199  C CB  . ASN A 33  ? 0.61156 0.79771 0.49232 0.03186  0.02618  -0.11963 40  ASN A CB  
200  C CG  . ASN A 33  ? 0.68728 0.83475 0.57481 0.02849  0.03579  -0.12874 40  ASN A CG  
201  O OD1 . ASN A 33  ? 0.69745 0.83298 0.58993 0.03813  0.04396  -0.11749 40  ASN A OD1 
202  N ND2 . ASN A 33  ? 0.68092 0.80933 0.56925 0.01537  0.03651  -0.14882 40  ASN A ND2 
203  N N   . LYS A 34  ? 0.55421 0.69929 0.42287 0.04680  -0.06927 0.01840  41  LYS A N   
204  C CA  . LYS A 34  ? 0.53692 0.67128 0.43065 0.05061  -0.06320 0.02407  41  LYS A CA  
205  C C   . LYS A 34  ? 0.57410 0.68013 0.47729 0.03890  -0.04794 0.02072  41  LYS A C   
206  O O   . LYS A 34  ? 0.58046 0.68242 0.50626 0.03778  -0.04409 0.02096  41  LYS A O   
207  C CB  . LYS A 34  ? 0.59422 0.71358 0.47501 0.07058  -0.06485 0.04157  41  LYS A CB  
208  C CG  . LYS A 34  ? 0.55953 0.70991 0.44030 0.08799  -0.08063 0.04668  41  LYS A CG  
209  C CD  . LYS A 34  ? 0.62699 0.75220 0.48722 0.10979  -0.08144 0.06512  41  LYS A CD  
210  C CE  . LYS A 34  ? 0.67920 0.83690 0.54114 0.13163  -0.09782 0.07106  41  LYS A CE  
211  N NZ  . LYS A 34  ? 0.56853 0.75009 0.46587 0.13883  -0.09909 0.06604  41  LYS A NZ  
212  N N   . GLU A 35  ? 0.58259 0.67200 0.46898 0.03124  -0.03924 0.01746  42  GLU A N   
213  C CA  . GLU A 35  ? 0.55725 0.62325 0.45405 0.02343  -0.02510 0.01613  42  GLU A CA  
214  C C   . GLU A 35  ? 0.55646 0.62712 0.48137 0.01329  -0.02334 0.00490  42  GLU A C   
215  O O   . GLU A 35  ? 0.52722 0.58211 0.46585 0.01019  -0.01465 0.00598  42  GLU A O   
216  C CB  . GLU A 35  ? 0.52354 0.57805 0.39881 0.01836  -0.01501 0.01332  42  GLU A CB  
217  C CG  . GLU A 35  ? 0.59664 0.66369 0.46521 0.00995  -0.01702 -0.00379 42  GLU A CG  
218  C CD  . GLU A 35  ? 0.71730 0.77459 0.55988 0.00766  -0.00557 -0.00722 42  GLU A CD  
219  O OE1 . GLU A 35  ? 0.64772 0.69812 0.46562 0.01387  -0.00192 0.00611  42  GLU A OE1 
220  O OE2 . GLU A 35  ? 0.82130 0.87630 0.66691 0.00009  0.00088  -0.02299 42  GLU A OE2 
221  N N   . ILE A 36  ? 0.55968 0.65173 0.49355 0.00748  -0.03179 -0.00500 43  ILE A N   
222  C CA  . ILE A 36  ? 0.50114 0.59274 0.45873 -0.00378 -0.02906 -0.01391 43  ILE A CA  
223  C C   . ILE A 36  ? 0.51664 0.60643 0.49466 -0.00030 -0.02732 -0.00559 43  ILE A C   
224  O O   . ILE A 36  ? 0.53062 0.61471 0.52544 -0.00831 -0.02331 -0.00908 43  ILE A O   
225  C CB  . ILE A 36  ? 0.59738 0.71211 0.56048 -0.01430 -0.03837 -0.02634 43  ILE A CB  
226  C CG1 . ILE A 36  ? 0.61799 0.76554 0.58605 -0.00726 -0.05080 -0.02106 43  ILE A CG1 
227  C CG2 . ILE A 36  ? 0.68124 0.79260 0.62211 -0.02024 -0.03909 -0.03909 43  ILE A CG2 
228  C CD1 . ILE A 36  ? 0.56496 0.72746 0.56139 -0.00946 -0.05084 -0.01779 43  ILE A CD1 
229  N N   . PHE A 37  ? 0.49214 0.58363 0.46620 0.01219  -0.02990 0.00534  44  PHE A N   
230  C CA  . PHE A 37  ? 0.49006 0.57813 0.47873 0.01645  -0.02770 0.01125  44  PHE A CA  
231  C C   . PHE A 37  ? 0.53506 0.59946 0.52950 0.01169  -0.01909 0.01190  44  PHE A C   
232  O O   . PHE A 37  ? 0.49890 0.56244 0.50725 0.00897  -0.01723 0.01243  44  PHE A O   
233  C CB  . PHE A 37  ? 0.49069 0.57692 0.46978 0.03219  -0.03108 0.02091  44  PHE A CB  
234  C CG  . PHE A 37  ? 0.50404 0.56068 0.46825 0.03586  -0.02561 0.02776  44  PHE A CG  
235  C CD1 . PHE A 37  ? 0.48259 0.53111 0.42575 0.03775  -0.02523 0.03160  44  PHE A CD1 
236  C CD2 . PHE A 37  ? 0.53949 0.57761 0.51002 0.03579  -0.02078 0.03037  44  PHE A CD2 
237  C CE1 . PHE A 37  ? 0.53756 0.55965 0.46874 0.03804  -0.01831 0.03902  44  PHE A CE1 
238  C CE2 . PHE A 37  ? 0.50074 0.51398 0.46114 0.03550  -0.01593 0.03574  44  PHE A CE2 
239  C CZ  . PHE A 37  ? 0.56069 0.56567 0.50266 0.03588  -0.01376 0.04063  44  PHE A CZ  
240  N N   . LEU A 38  ? 0.56183 0.60973 0.54586 0.01097  -0.01368 0.01254  45  LEU A N   
241  C CA  . LEU A 38  ? 0.47485 0.50685 0.46843 0.00773  -0.00666 0.01324  45  LEU A CA  
242  C C   . LEU A 38  ? 0.47511 0.50653 0.48202 0.00009  -0.00386 0.00569  45  LEU A C   
243  O O   . LEU A 38  ? 0.48171 0.50648 0.50159 -0.00051 -0.00217 0.00780  45  LEU A O   
244  C CB  . LEU A 38  ? 0.44868 0.46897 0.43151 0.00778  0.00011  0.01584  45  LEU A CB  
245  C CG  . LEU A 38  ? 0.41477 0.42487 0.41114 0.00544  0.00581  0.01812  45  LEU A CG  
246  C CD1 . LEU A 38  ? 0.40798 0.41265 0.40884 0.00891  0.00073  0.02377  45  LEU A CD1 
247  C CD2 . LEU A 38  ? 0.46984 0.47382 0.45912 0.00286  0.01470  0.02073  45  LEU A CD2 
248  N N   . ARG A 39  ? 0.46918 0.50544 0.47111 -0.00543 -0.00414 -0.00326 46  ARG A N   
249  C CA  . ARG A 39  ? 0.47508 0.50402 0.48766 -0.01297 -0.00134 -0.01128 46  ARG A CA  
250  C C   . ARG A 39  ? 0.50329 0.53621 0.52992 -0.01683 -0.00457 -0.00743 46  ARG A C   
251  O O   . ARG A 39  ? 0.55136 0.57075 0.58829 -0.01904 -0.00108 -0.00626 46  ARG A O   
252  C CB  . ARG A 39  ? 0.55289 0.58514 0.55449 -0.01980 -0.00256 -0.02400 46  ARG A CB  
253  C CG  . ARG A 39  ? 0.60401 0.62583 0.61538 -0.03005 -0.00150 -0.03357 46  ARG A CG  
254  C CD  . ARG A 39  ? 0.61225 0.63834 0.61082 -0.03893 -0.00502 -0.04888 46  ARG A CD  
255  N NE  . ARG A 39  ? 0.77994 0.83179 0.78091 -0.04582 -0.01569 -0.04939 46  ARG A NE  
256  C CZ  . ARG A 39  ? 0.84705 0.91477 0.83540 -0.05176 -0.02352 -0.06033 46  ARG A CZ  
257  N NH1 . ARG A 39  ? 0.77905 0.83649 0.74668 -0.05208 -0.02117 -0.07247 46  ARG A NH1 
258  N NH2 . ARG A 39  ? 0.61136 0.70904 0.60802 -0.05696 -0.03408 -0.05965 46  ARG A NH2 
259  N N   . GLU A 40  ? 0.48148 0.53396 0.50837 -0.01652 -0.01058 -0.00439 47  GLU A N   
260  C CA  . GLU A 40  ? 0.43564 0.49637 0.47549 -0.02119 -0.01120 -0.00045 47  GLU A CA  
261  C C   . GLU A 40  ? 0.44533 0.49734 0.48799 -0.01385 -0.00871 0.00922  47  GLU A C   
262  O O   . GLU A 40  ? 0.49834 0.54307 0.54821 -0.01801 -0.00590 0.01313  47  GLU A O   
263  C CB  . GLU A 40  ? 0.52136 0.61208 0.56397 -0.02109 -0.01724 -0.00056 47  GLU A CB  
264  C CG  . GLU A 40  ? 0.53358 0.63889 0.57181 -0.02774 -0.02321 -0.01064 47  GLU A CG  
265  C CD  . GLU A 40  ? 0.67130 0.76829 0.71629 -0.04502 -0.02156 -0.02090 47  GLU A CD  
266  O OE1 . GLU A 40  ? 0.53351 0.61825 0.58981 -0.05250 -0.01605 -0.01762 47  GLU A OE1 
267  O OE2 . GLU A 40  ? 0.74095 0.84057 0.77709 -0.05103 -0.02579 -0.03236 47  GLU A OE2 
268  N N   . LEU A 41  ? 0.47667 0.52729 0.51153 -0.00358 -0.01009 0.01325  48  LEU A N   
269  C CA  . LEU A 41  ? 0.51927 0.56155 0.55466 0.00218  -0.00946 0.01968  48  LEU A CA  
270  C C   . LEU A 41  ? 0.48135 0.50714 0.52253 0.00020  -0.00680 0.02044  48  LEU A C   
271  O O   . LEU A 41  ? 0.47745 0.49901 0.52194 0.00120  -0.00721 0.02553  48  LEU A O   
272  C CB  . LEU A 41  ? 0.52425 0.56345 0.54949 0.01133  -0.01169 0.02190  48  LEU A CB  
273  C CG  . LEU A 41  ? 0.56384 0.61809 0.58372 0.01884  -0.01492 0.02282  48  LEU A CG  
274  C CD1 . LEU A 41  ? 0.50459 0.54560 0.51226 0.02888  -0.01649 0.02575  48  LEU A CD1 
275  C CD2 . LEU A 41  ? 0.47836 0.54810 0.50556 0.01907  -0.01397 0.02422  48  LEU A CD2 
276  N N   . ILE A 42  ? 0.50187 0.52022 0.54365 -0.00108 -0.00396 0.01571  49  ILE A N   
277  C CA  . ILE A 42  ? 0.51851 0.52539 0.56969 -0.00023 -0.00098 0.01577  49  ILE A CA  
278  C C   . ILE A 42  ? 0.52909 0.52714 0.58633 -0.00431 0.00036  0.01595  49  ILE A C   
279  O O   . ILE A 42  ? 0.52195 0.51112 0.58584 -0.00079 -0.00001 0.02145  49  ILE A O   
280  C CB  . ILE A 42  ? 0.50849 0.51268 0.55927 0.00030  0.00439  0.00962  49  ILE A CB  
281  C CG1 . ILE A 42  ? 0.45569 0.46367 0.50275 0.00282  0.00457  0.01300  49  ILE A CG1 
282  C CG2 . ILE A 42  ? 0.43555 0.43070 0.49918 0.00305  0.00875  0.00735  49  ILE A CG2 
283  C CD1 . ILE A 42  ? 0.54265 0.55103 0.58541 0.00187  0.01208  0.00878  49  ILE A CD1 
284  N N   . SER A 43  ? 0.47384 0.47349 0.52847 -0.01229 0.00124  0.01047  50  SER A N   
285  C CA  . SER A 43  ? 0.56326 0.55028 0.62295 -0.01960 0.00328  0.01109  50  SER A CA  
286  C C   . SER A 43  ? 0.56369 0.55456 0.62439 -0.02025 0.00203  0.02269  50  SER A C   
287  O O   . SER A 43  ? 0.55505 0.52932 0.61816 -0.02141 0.00404  0.02943  50  SER A O   
288  C CB  . SER A 43  ? 0.53482 0.52608 0.59252 -0.03145 0.00333  0.00097  50  SER A CB  
289  O OG  . SER A 43  ? 0.60364 0.58427 0.66688 -0.04262 0.00534  0.00288  50  SER A OG  
290  N N   . ASN A 44  ? 0.49246 0.50359 0.54916 -0.01804 -0.00060 0.02562  51  ASN A N   
291  C CA  . ASN A 44  ? 0.52331 0.54018 0.57750 -0.01691 -0.00020 0.03548  51  ASN A CA  
292  C C   . ASN A 44  ? 0.48947 0.49466 0.53991 -0.00777 -0.00270 0.04248  51  ASN A C   
293  O O   . ASN A 44  ? 0.52613 0.52553 0.57253 -0.00776 -0.00185 0.05195  51  ASN A O   
294  C CB  . ASN A 44  ? 0.47171 0.51237 0.52200 -0.01304 -0.00171 0.03472  51  ASN A CB  
295  C CG  . ASN A 44  ? 0.53967 0.60083 0.59728 -0.02218 -0.00008 0.03100  51  ASN A CG  
296  O OD1 . ASN A 44  ? 0.42481 0.48083 0.48954 -0.03469 0.00210  0.02839  51  ASN A OD1 
297  N ND2 . ASN A 44  ? 0.44882 0.53368 0.50581 -0.01582 -0.00157 0.03003  51  ASN A ND2 
298  N N   . SER A 45  ? 0.48493 0.48858 0.53633 -0.00072 -0.00605 0.03853  52  SER A N   
299  C CA  . SER A 45  ? 0.53657 0.53462 0.58867 0.00667  -0.01041 0.04347  52  SER A CA  
300  C C   . SER A 45  ? 0.52561 0.50780 0.58530 0.00840  -0.00933 0.04786  52  SER A C   
301  O O   . SER A 45  ? 0.49431 0.47175 0.55139 0.01375  -0.01324 0.05701  52  SER A O   
302  C CB  . SER A 45  ? 0.48842 0.49104 0.54411 0.01036  -0.01303 0.03767  52  SER A CB  
303  O OG  . SER A 45  ? 0.50131 0.51132 0.54713 0.01135  -0.01525 0.03583  52  SER A OG  
304  N N   . SER A 46  ? 0.52530 0.49768 0.59223 0.00535  -0.00443 0.04120  53  SER A N   
305  C CA  . SER A 46  ? 0.59422 0.54615 0.66786 0.00918  -0.00236 0.04408  53  SER A CA  
306  C C   . SER A 46  ? 0.54596 0.48257 0.61246 0.00421  -0.00088 0.05486  53  SER A C   
307  O O   . SER A 46  ? 0.60974 0.52896 0.67680 0.01142  -0.00217 0.06436  53  SER A O   
308  C CB  . SER A 46  ? 0.52273 0.46482 0.60160 0.00641  0.00381  0.03163  53  SER A CB  
309  O OG  . SER A 46  ? 0.59233 0.50911 0.67650 0.01132  0.00694  0.03277  53  SER A OG  
310  N N   . ASP A 47  ? 0.56751 0.51172 0.62781 -0.00768 0.00214  0.05479  54  ASP A N   
311  C CA  . ASP A 47  ? 0.52711 0.46034 0.58089 -0.01536 0.00582  0.06650  54  ASP A CA  
312  C C   . ASP A 47  ? 0.52023 0.45923 0.56252 -0.00711 0.00192  0.08031  54  ASP A C   
313  O O   . ASP A 47  ? 0.56731 0.48806 0.60186 -0.00632 0.00329  0.09415  54  ASP A O   
314  C CB  . ASP A 47  ? 0.51532 0.46485 0.57001 -0.03064 0.01045  0.06201  54  ASP A CB  
315  C CG  . ASP A 47  ? 0.63385 0.57332 0.69669 -0.04228 0.01332  0.04954  54  ASP A CG  
316  O OD1 . ASP A 47  ? 0.74067 0.65874 0.80618 -0.03707 0.01315  0.04308  54  ASP A OD1 
317  O OD2 . ASP A 47  ? 0.65768 0.61311 0.72462 -0.05628 0.01555  0.04500  54  ASP A OD2 
318  N N   . ALA A 48  ? 0.50449 0.46613 0.54270 -0.00094 -0.00315 0.07674  55  ALA A N   
319  C CA  . ALA A 48  ? 0.50148 0.46915 0.52556 0.00691  -0.00830 0.08640  55  ALA A CA  
320  C C   . ALA A 48  ? 0.57195 0.52886 0.59834 0.01890  -0.01654 0.09222  55  ALA A C   
321  O O   . ALA A 48  ? 0.60219 0.55519 0.61485 0.02478  -0.02085 0.10486  55  ALA A O   
322  C CB  . ALA A 48  ? 0.44672 0.43646 0.46535 0.00997  -0.01182 0.07798  55  ALA A CB  
323  N N   . LEU A 49  ? 0.52497 0.48017 0.56836 0.02354  -0.01879 0.08356  56  LEU A N   
324  C CA  . LEU A 49  ? 0.53244 0.48298 0.58417 0.03644  -0.02621 0.08862  56  LEU A CA  
325  C C   . LEU A 49  ? 0.57494 0.49689 0.62551 0.04043  -0.02297 0.10021  56  LEU A C   
326  O O   . LEU A 49  ? 0.60400 0.52027 0.65207 0.05293  -0.03041 0.11207  56  LEU A O   
327  C CB  . LEU A 49  ? 0.55330 0.51406 0.62572 0.03998  -0.02665 0.07582  56  LEU A CB  
328  C CG  . LEU A 49  ? 0.55067 0.53504 0.62458 0.03739  -0.03148 0.06728  56  LEU A CG  
329  C CD1 . LEU A 49  ? 0.51310 0.50428 0.60370 0.03561  -0.02641 0.05545  56  LEU A CD1 
330  C CD2 . LEU A 49  ? 0.48561 0.48376 0.55942 0.04512  -0.04411 0.07229  56  LEU A CD2 
331  N N   . ASP A 50  ? 0.64278 0.54525 0.69441 0.02998  -0.01284 0.09706  57  ASP A N   
332  C CA  . ASP A 50  ? 0.67331 0.54072 0.72089 0.03089  -0.00847 0.10832  57  ASP A CA  
333  C C   . ASP A 50  ? 0.70214 0.56244 0.72850 0.02920  -0.00920 0.12810  57  ASP A C   
334  O O   . ASP A 50  ? 0.72054 0.55541 0.73944 0.03853  -0.01117 0.14387  57  ASP A O   
335  C CB  . ASP A 50  ? 0.60084 0.44980 0.65252 0.01527  0.00203  0.09837  57  ASP A CB  
336  C CG  . ASP A 50  ? 0.71264 0.55615 0.77984 0.02020  0.00410  0.08140  57  ASP A CG  
337  O OD1 . ASP A 50  ? 0.81819 0.66905 0.89598 0.03679  -0.00066 0.07977  57  ASP A OD1 
338  O OD2 . ASP A 50  ? 0.81721 0.65161 0.88603 0.00706  0.01068  0.06909  57  ASP A OD2 
339  N N   . LYS A 51  ? 0.71877 0.60092 0.73364 0.01877  -0.00689 0.12818  58  LYS A N   
340  C CA  . LYS A 51  ? 0.71522 0.59303 0.70727 0.01554  -0.00427 0.14642  58  LYS A CA  
341  C C   . LYS A 51  ? 0.63776 0.52104 0.61531 0.03273  -0.01648 0.15822  58  LYS A C   
342  O O   . LYS A 51  ? 0.79744 0.66100 0.75657 0.03725  -0.01674 0.17814  58  LYS A O   
343  C CB  . LYS A 51  ? 0.64255 0.54730 0.62788 0.00264  0.00250  0.14129  58  LYS A CB  
344  C CG  . LYS A 51  ? 0.77515 0.67092 0.76360 -0.01703 0.01606  0.14392  58  LYS A CG  
345  C CD  . LYS A 51  ? 0.83210 0.70582 0.80065 -0.02170 0.02296  0.16713  58  LYS A CD  
346  C CE  . LYS A 51  ? 0.86688 0.71837 0.84421 -0.04298 0.03550  0.17007  58  LYS A CE  
347  N NZ  . LYS A 51  ? 0.90024 0.70640 0.86343 -0.04312 0.03914  0.19167  58  LYS A NZ  
348  N N   . ILE A 52  ? 0.64546 0.55501 0.62998 0.04158  -0.02724 0.14673  59  ILE A N   
349  C CA  . ILE A 52  ? 0.71706 0.63644 0.68972 0.05647  -0.04153 0.15544  59  ILE A CA  
350  C C   . ILE A 52  ? 0.74232 0.64353 0.72634 0.07213  -0.04870 0.16500  59  ILE A C   
351  O O   . ILE A 52  ? 0.83138 0.72851 0.79958 0.08478  -0.05846 0.18146  59  ILE A O   
352  C CB  . ILE A 52  ? 0.59616 0.54756 0.57516 0.05834  -0.05124 0.13897  59  ILE A CB  
353  C CG1 . ILE A 52  ? 0.68589 0.65095 0.64981 0.07059  -0.06771 0.14623  59  ILE A CG1 
354  C CG2 . ILE A 52  ? 0.58295 0.54099 0.59345 0.05953  -0.05216 0.12366  59  ILE A CG2 
355  C CD1 . ILE A 52  ? 0.72326 0.68211 0.65028 0.07103  -0.06669 0.16265  59  ILE A CD1 
356  N N   . ARG A 53  ? 0.71968 0.60978 0.72940 0.07334  -0.04399 0.15515  60  ARG A N   
357  C CA  . ARG A 53  ? 0.76665 0.63785 0.78879 0.09102  -0.04879 0.16315  60  ARG A CA  
358  C C   . ARG A 53  ? 0.87966 0.70841 0.88245 0.09259  -0.04304 0.18439  60  ARG A C   
359  O O   . ARG A 53  ? 0.90666 0.72177 0.90391 0.11116  -0.05183 0.20104  60  ARG A O   
360  C CB  . ARG A 53  ? 0.74345 0.61162 0.79461 0.09193  -0.04223 0.14553  60  ARG A CB  
361  C CG  . ARG A 53  ? 0.85359 0.70650 0.92157 0.11388  -0.04622 0.15064  60  ARG A CG  
362  C CD  . ARG A 53  ? 0.98348 0.84352 1.07977 0.11642  -0.03943 0.13048  60  ARG A CD  
363  N NE  . ARG A 53  ? 1.04818 0.94388 1.16933 0.13307  -0.04966 0.12628  60  ARG A NE  
364  C CZ  . ARG A 53  ? 1.03480 0.95354 1.18115 0.13343  -0.04486 0.10876  60  ARG A CZ  
365  N NH1 . ARG A 53  ? 0.85680 0.76529 1.00346 0.11993  -0.03114 0.09357  60  ARG A NH1 
366  N NH2 . ARG A 53  ? 1.06428 1.01965 1.23592 0.14702  -0.05410 0.10677  60  ARG A NH2 
367  N N   . TYR A 54  ? 0.88400 0.69178 0.87691 0.07300  -0.02862 0.18500  61  TYR A N   
368  C CA  . TYR A 54  ? 0.90936 0.67289 0.88406 0.06994  -0.02096 0.20573  61  TYR A CA  
369  C C   . TYR A 54  ? 0.98241 0.74806 0.92553 0.07588  -0.02696 0.22968  61  TYR A C   
370  O O   . TYR A 54  ? 1.08626 0.81862 1.01427 0.08779  -0.02929 0.25192  61  TYR A O   
371  C CB  . TYR A 54  ? 0.95927 0.70789 0.93349 0.04343  -0.00452 0.19960  61  TYR A CB  
372  C CG  . TYR A 54  ? 0.97827 0.67924 0.93460 0.03496  0.00534  0.22101  61  TYR A CG  
373  C CD1 . TYR A 54  ? 1.07062 0.72244 1.03068 0.04539  0.00635  0.22790  61  TYR A CD1 
374  C CD2 . TYR A 54  ? 0.96015 0.66387 0.89549 0.01687  0.01482  0.23485  61  TYR A CD2 
375  C CE1 . TYR A 54  ? 1.11133 0.71267 1.05333 0.03642  0.01590  0.24875  61  TYR A CE1 
376  C CE2 . TYR A 54  ? 0.94221 0.60103 0.86090 0.00628  0.02549  0.25631  61  TYR A CE2 
377  C CZ  . TYR A 54  ? 1.03909 0.64416 0.96043 0.01538  0.02562  0.26364  61  TYR A CZ  
378  O OH  . TYR A 54  ? 1.21067 0.76426 1.11388 0.00364  0.03677  0.28613  61  TYR A OH  
379  N N   . GLU A 55  ? 0.97789 0.78013 0.90778 0.06872  -0.02916 0.22567  62  GLU A N   
380  C CA  . GLU A 55  ? 1.00897 0.81732 0.90458 0.07516  -0.03528 0.24574  62  GLU A CA  
381  C C   . GLU A 55  ? 0.98943 0.80901 0.88384 0.10050  -0.05609 0.25223  62  GLU A C   
382  O O   . GLU A 55  ? 1.10483 0.91375 0.97029 0.11185  -0.06320 0.27527  62  GLU A O   
383  C CB  . GLU A 55  ? 0.96977 0.81460 0.85190 0.06291  -0.03192 0.23550  62  GLU A CB  
384  C CG  . GLU A 55  ? 1.01909 0.85834 0.89581 0.03995  -0.01171 0.23660  62  GLU A CG  
385  C CD  . GLU A 55  ? 1.09638 0.97375 0.96182 0.03245  -0.00801 0.22536  62  GLU A CD  
386  O OE1 . GLU A 55  ? 1.02026 0.90540 0.89113 0.01497  0.00742  0.22035  62  GLU A OE1 
387  O OE2 . GLU A 55  ? 1.03740 0.93758 0.88954 0.04443  -0.02094 0.22044  62  GLU A OE2 
388  N N   . SER A 56  ? 0.98930 0.83262 0.91496 0.10932  -0.06610 0.23306  63  SER A N   
389  C CA  . SER A 56  ? 1.02317 0.88460 0.95575 0.13247  -0.08651 0.23741  63  SER A CA  
390  C C   . SER A 56  ? 1.06329 0.88981 1.00190 0.15242  -0.08927 0.25527  63  SER A C   
391  O O   . SER A 56  ? 1.08849 0.92652 1.02557 0.17469  -0.10704 0.26685  63  SER A O   
392  C CB  . SER A 56  ? 0.85909 0.75820 0.82705 0.13334  -0.09381 0.21191  63  SER A CB  
393  O OG  . SER A 56  ? 0.89500 0.78062 0.89597 0.13964  -0.08786 0.20388  63  SER A OG  
394  N N   . LEU A 57  ? 1.07244 0.85639 1.01803 0.14568  -0.07300 0.25694  64  LEU A N   
395  C CA  . LEU A 57  ? 1.10578 0.84789 1.05513 0.16577  -0.07411 0.27322  64  LEU A CA  
396  C C   . LEU A 57  ? 1.19423 0.91115 1.10468 0.17646  -0.08016 0.30626  64  LEU A C   
397  O O   . LEU A 57  ? 1.23993 0.94693 1.15009 0.20387  -0.09363 0.32252  64  LEU A O   
398  C CB  . LEU A 57  ? 1.12287 0.81925 1.08276 0.15232  -0.05463 0.26594  64  LEU A CB  
399  C CG  . LEU A 57  ? 1.09805 0.81103 1.09296 0.14480  -0.04782 0.23502  64  LEU A CG  
400  C CD1 . LEU A 57  ? 1.07883 0.73990 1.07843 0.13484  -0.03136 0.22980  64  LEU A CD1 
401  C CD2 . LEU A 57  ? 1.00041 0.74528 1.02582 0.16943  -0.06072 0.22476  64  LEU A CD2 
402  N N   . THR A 58  ? 1.25059 0.95890 1.12757 0.15629  -0.07004 0.31743  65  THR A N   
403  C CA  . THR A 58  ? 1.30181 0.98532 1.13560 0.16301  -0.07249 0.35051  65  THR A CA  
404  C C   . THR A 58  ? 1.25215 0.98104 1.05862 0.16800  -0.08771 0.35475  65  THR A C   
405  O O   . THR A 58  ? 1.26199 0.97626 1.02665 0.17389  -0.09061 0.38214  65  THR A O   
406  C CB  . THR A 58  ? 1.33517 0.97859 1.14701 0.13651  -0.04898 0.36283  65  THR A CB  
407  O OG1 . THR A 58  ? 1.34168 1.02126 1.13602 0.11582  -0.04207 0.35604  65  THR A OG1 
408  C CG2 . THR A 58  ? 1.31169 0.92683 1.15568 0.12105  -0.03338 0.34458  65  THR A CG2 
409  N N   . ASP A 59  ? 1.29048 1.07124 1.11683 0.16520  -0.09718 0.32832  66  ASP A N   
410  C CA  . ASP A 59  ? 1.24539 1.06839 1.04693 0.16880  -0.11285 0.32699  66  ASP A CA  
411  C C   . ASP A 59  ? 1.13609 1.00726 0.97336 0.17169  -0.12722 0.29776  66  ASP A C   
412  O O   . ASP A 59  ? 1.04640 0.93780 0.89600 0.15318  -0.11874 0.27420  66  ASP A O   
413  C CB  . ASP A 59  ? 1.14645 0.97412 0.91492 0.14601  -0.09725 0.32668  66  ASP A CB  
414  C CG  . ASP A 59  ? 1.17787 1.04290 0.91293 0.15061  -0.11224 0.32502  66  ASP A CG  
415  O OD1 . ASP A 59  ? 1.24855 1.13269 0.98127 0.17077  -0.13635 0.32876  66  ASP A OD1 
416  O OD2 . ASP A 59  ? 1.11367 0.99057 0.82520 0.13449  -0.10023 0.31877  66  ASP A OD2 
417  N N   . PRO A 60  ? 1.10041 0.99169 0.95603 0.19450  -0.14877 0.29928  67  PRO A N   
418  C CA  . PRO A 60  ? 1.04443 0.98248 0.93869 0.19447  -0.16089 0.27203  67  PRO A CA  
419  C C   . PRO A 60  ? 0.93819 0.91452 0.81431 0.18196  -0.17032 0.25644  67  PRO A C   
420  O O   . PRO A 60  ? 0.89001 0.89847 0.79594 0.17420  -0.17507 0.23172  67  PRO A O   
421  C CB  . PRO A 60  ? 1.02170 0.97476 0.93647 0.22339  -0.18249 0.28236  67  PRO A CB  
422  C CG  . PRO A 60  ? 1.05330 0.95406 0.95063 0.23882  -0.17554 0.31145  67  PRO A CG  
423  C CD  . PRO A 60  ? 1.04912 0.92012 0.89631 0.22170  -0.16158 0.32630  67  PRO A CD  
424  N N   . SER A 61  ? 0.94592 0.91775 0.77254 0.17951  -0.17213 0.26971  68  SER A N   
425  C CA  . SER A 61  ? 0.96458 0.96911 0.76968 0.16932  -0.18106 0.25290  68  SER A CA  
426  C C   . SER A 61  ? 0.98049 0.98526 0.79272 0.14622  -0.16155 0.23019  68  SER A C   
427  O O   . SER A 61  ? 0.96807 0.99737 0.77012 0.13778  -0.16789 0.21106  68  SER A O   
428  C CB  . SER A 61  ? 0.90183 0.90067 0.64742 0.17462  -0.18640 0.27324  68  SER A CB  
429  O OG  . SER A 61  ? 1.03270 1.00142 0.75075 0.16105  -0.16067 0.28346  68  SER A OG  
430  N N   . LYS A 62  ? 0.98549 0.96292 0.81407 0.13642  -0.13905 0.23133  69  LYS A N   
431  C CA  . LYS A 62  ? 0.92562 0.90653 0.76384 0.11697  -0.12231 0.21061  69  LYS A CA  
432  C C   . LYS A 62  ? 0.95035 0.95446 0.82904 0.11303  -0.12862 0.18521  69  LYS A C   
433  O O   . LYS A 62  ? 0.86821 0.87986 0.75119 0.09938  -0.11988 0.16665  69  LYS A O   
434  C CB  . LYS A 62  ? 0.95383 0.90265 0.79865 0.10670  -0.09874 0.21887  69  LYS A CB  
435  C CG  . LYS A 62  ? 1.06867 0.98986 0.87732 0.10813  -0.09013 0.24692  69  LYS A CG  
436  C CD  . LYS A 62  ? 1.08786 1.01723 0.86256 0.09513  -0.07704 0.24650  69  LYS A CD  
437  C CE  . LYS A 62  ? 1.06000 0.96928 0.84097 0.07746  -0.05191 0.25094  69  LYS A CE  
438  N NZ  . LYS A 62  ? 1.15054 1.02002 0.92591 0.07882  -0.04495 0.27731  69  LYS A NZ  
439  N N   . LEU A 63  ? 0.94389 0.95994 0.85255 0.12528  -0.14269 0.18498  70  LEU A N   
440  C CA  . LEU A 63  ? 0.86595 0.90783 0.81331 0.12087  -0.14856 0.16292  70  LEU A CA  
441  C C   . LEU A 63  ? 0.76635 0.84281 0.70846 0.12091  -0.17019 0.15143  70  LEU A C   
442  O O   . LEU A 63  ? 0.78416 0.88512 0.75991 0.11671  -0.17745 0.13512  70  LEU A O   
443  C CB  . LEU A 63  ? 0.78444 0.82603 0.77188 0.13333  -0.14982 0.16657  70  LEU A CB  
444  C CG  . LEU A 63  ? 0.83872 0.84443 0.83589 0.13214  -0.12928 0.17259  70  LEU A CG  
445  C CD1 . LEU A 63  ? 0.87072 0.87779 0.90550 0.14789  -0.13157 0.17359  70  LEU A CD1 
446  C CD2 . LEU A 63  ? 0.66251 0.66303 0.66520 0.11207  -0.11186 0.15535  70  LEU A CD2 
447  N N   . ASP A 64  ? 0.73376 0.81279 0.63335 0.12412  -0.18015 0.15899  71  ASP A N   
448  C CA  . ASP A 64  ? 0.77107 0.88141 0.66124 0.12246  -0.20214 0.14543  71  ASP A CA  
449  C C   . ASP A 64  ? 0.77382 0.89058 0.67202 0.10369  -0.19663 0.11850  71  ASP A C   
450  O O   . ASP A 64  ? 0.81517 0.95762 0.72601 0.09798  -0.21332 0.10186  71  ASP A O   
451  C CB  . ASP A 64  ? 0.74996 0.85784 0.58483 0.12911  -0.21120 0.15780  71  ASP A CB  
452  C CG  . ASP A 64  ? 0.87660 0.98510 0.70232 0.15012  -0.22545 0.18422  71  ASP A CG  
453  O OD1 . ASP A 64  ? 0.90539 1.02218 0.77162 0.16109  -0.23197 0.18949  71  ASP A OD1 
454  O OD2 . ASP A 64  ? 0.89670 0.99710 0.67342 0.15704  -0.22952 0.20033  71  ASP A OD2 
455  N N   . SER A 65  ? 0.77207 0.86567 0.66395 0.09381  -0.17403 0.11417  72  SER A N   
456  C CA  . SER A 65  ? 0.74611 0.84003 0.64409 0.07883  -0.16740 0.09106  72  SER A CA  
457  C C   . SER A 65  ? 0.73285 0.83233 0.67864 0.07191  -0.16274 0.08104  72  SER A C   
458  O O   . SER A 65  ? 0.76237 0.85937 0.71505 0.05965  -0.15728 0.06381  72  SER A O   
459  C CB  . SER A 65  ? 0.73699 0.80864 0.60941 0.07370  -0.14596 0.09126  72  SER A CB  
460  O OG  . SER A 65  ? 0.71008 0.76487 0.58484 0.07791  -0.13115 0.11035  72  SER A OG  
461  N N   . GLY A 66  ? 0.80240 0.90777 0.77916 0.08050  -0.16392 0.09170  73  GLY A N   
462  C CA  . GLY A 66  ? 0.76424 0.87733 0.78459 0.07522  -0.15763 0.08293  73  GLY A CA  
463  C C   . GLY A 66  ? 0.79150 0.89748 0.83500 0.08747  -0.15021 0.09674  73  GLY A C   
464  O O   . GLY A 66  ? 0.80637 0.88489 0.83710 0.08946  -0.13537 0.10651  73  GLY A O   
465  N N   . LYS A 67  ? 0.69953 0.83056 0.77827 0.09563  -0.16012 0.09672  74  LYS A N   
466  C CA  . LYS A 67  ? 0.75094 0.87451 0.85276 0.11058  -0.15334 0.10790  74  LYS A CA  
467  C C   . LYS A 67  ? 0.66314 0.78095 0.79340 0.10341  -0.13476 0.09740  74  LYS A C   
468  O O   . LYS A 67  ? 0.70207 0.80295 0.84368 0.11382  -0.12435 0.10402  74  LYS A O   
469  C CB  . LYS A 67  ? 0.76263 0.91953 0.89027 0.12747  -0.17264 0.11380  74  LYS A CB  
470  C CG  . LYS A 67  ? 0.79667 0.94470 0.89712 0.14608  -0.18601 0.13472  74  LYS A CG  
471  C CD  . LYS A 67  ? 0.96710 1.15090 1.09773 0.16653  -0.20579 0.14138  74  LYS A CD  
472  C CE  . LYS A 67  ? 0.89551 1.13012 1.05093 0.15575  -0.22320 0.12429  74  LYS A CE  
473  N NZ  . LYS A 67  ? 0.89967 1.15265 1.02512 0.15829  -0.24843 0.12850  74  LYS A NZ  
474  N N   . GLU A 68  ? 0.62339 0.75179 0.76236 0.08627  -0.13022 0.08138  75  GLU A N   
475  C CA  . GLU A 68  ? 0.64207 0.76606 0.80302 0.07912  -0.11274 0.07232  75  GLU A CA  
476  C C   . GLU A 68  ? 0.57443 0.66308 0.71061 0.07281  -0.09626 0.07320  75  GLU A C   
477  O O   . GLU A 68  ? 0.62555 0.70295 0.73423 0.06377  -0.09592 0.07138  75  GLU A O   
478  C CB  . GLU A 68  ? 0.62286 0.76878 0.80016 0.06257  -0.11388 0.05750  75  GLU A CB  
479  C CG  . GLU A 68  ? 0.70165 0.88957 0.91521 0.06481  -0.12693 0.05401  75  GLU A CG  
480  C CD  . GLU A 68  ? 0.99599 1.20191 1.19773 0.06707  -0.15042 0.05607  75  GLU A CD  
481  O OE1 . GLU A 68  ? 0.88518 1.12532 1.11331 0.07782  -0.16487 0.05946  75  GLU A OE1 
482  O OE2 . GLU A 68  ? 0.97829 1.16597 1.14380 0.05926  -0.15466 0.05377  75  GLU A OE2 
483  N N   . LEU A 69  ? 0.57117 0.64434 0.71805 0.07790  -0.08283 0.07466  76  LEU A N   
484  C CA  . LEU A 69  ? 0.56030 0.60504 0.68997 0.07026  -0.06777 0.07325  76  LEU A CA  
485  C C   . LEU A 69  ? 0.57506 0.62523 0.72148 0.06214  -0.05581 0.06053  76  LEU A C   
486  O O   . LEU A 69  ? 0.55682 0.60616 0.72188 0.06896  -0.04788 0.05796  76  LEU A O   
487  C CB  . LEU A 69  ? 0.54844 0.56630 0.67236 0.08038  -0.06239 0.08399  76  LEU A CB  
488  C CG  . LEU A 69  ? 0.70385 0.71168 0.80808 0.08962  -0.07242 0.10067  76  LEU A CG  
489  C CD1 . LEU A 69  ? 0.78677 0.75760 0.87833 0.09188  -0.06240 0.11089  76  LEU A CD1 
490  C CD2 . LEU A 69  ? 0.65585 0.67108 0.73360 0.08035  -0.07882 0.10146  76  LEU A CD2 
491  N N   . HIS A 70  ? 0.53865 0.59252 0.67606 0.04885  -0.05394 0.05283  77  HIS A N   
492  C CA  . HIS A 70  ? 0.51908 0.57856 0.66842 0.04076  -0.04357 0.04315  77  HIS A CA  
493  C C   . HIS A 70  ? 0.49214 0.53743 0.61889 0.02998  -0.03788 0.03924  77  HIS A C   
494  O O   . HIS A 70  ? 0.41087 0.44676 0.51645 0.02866  -0.04194 0.04238  77  HIS A O   
495  C CB  . HIS A 70  ? 0.45495 0.54216 0.62748 0.03657  -0.04909 0.03832  77  HIS A CB  
496  C CG  . HIS A 70  ? 0.42849 0.52078 0.58941 0.02787  -0.06105 0.03631  77  HIS A CG  
497  N ND1 . HIS A 70  ? 0.51409 0.62563 0.68282 0.03115  -0.07701 0.03805  77  HIS A ND1 
498  C CD2 . HIS A 70  ? 0.55660 0.63622 0.69780 0.01690  -0.05988 0.03145  77  HIS A CD2 
499  C CE1 . HIS A 70  ? 0.46107 0.56995 0.61355 0.02097  -0.08488 0.03269  77  HIS A CE1 
500  N NE2 . HIS A 70  ? 0.43262 0.52049 0.56863 0.01305  -0.07402 0.02878  77  HIS A NE2 
501  N N   . ILE A 71  ? 0.39426 0.43986 0.52537 0.02369  -0.02789 0.03287  78  ILE A N   
502  C CA  . ILE A 71  ? 0.47702 0.51147 0.58901 0.01581  -0.02306 0.02980  78  ILE A CA  
503  C C   . ILE A 71  ? 0.45914 0.50087 0.57818 0.00750  -0.01980 0.02562  78  ILE A C   
504  O O   . ILE A 71  ? 0.44408 0.49742 0.58127 0.00670  -0.01282 0.02354  78  ILE A O   
505  C CB  . ILE A 71  ? 0.43794 0.46064 0.54147 0.01627  -0.01349 0.02809  78  ILE A CB  
506  C CG1 . ILE A 71  ? 0.38557 0.39809 0.48445 0.02126  -0.01530 0.03284  78  ILE A CG1 
507  C CG2 . ILE A 71  ? 0.37618 0.39243 0.46123 0.01063  -0.01097 0.02605  78  ILE A CG2 
508  C CD1 . ILE A 71  ? 0.42798 0.42865 0.52223 0.01934  -0.00701 0.02901  78  ILE A CD1 
509  N N   . ASN A 72  ? 0.38295 0.41655 0.48732 0.00146  -0.02355 0.02455  79  ASN A N   
510  C CA  . ASN A 72  ? 0.38796 0.42034 0.49472 -0.00843 -0.01991 0.02223  79  ASN A CA  
511  C C   . ASN A 72  ? 0.45269 0.46597 0.53608 -0.00944 -0.01427 0.02304  79  ASN A C   
512  O O   . ASN A 72  ? 0.43919 0.44256 0.50506 -0.00405 -0.01803 0.02347  79  ASN A O   
513  C CB  . ASN A 72  ? 0.39579 0.43065 0.50602 -0.01528 -0.03071 0.01936  79  ASN A CB  
514  C CG  . ASN A 72  ? 0.43597 0.49586 0.57137 -0.01393 -0.03903 0.01885  79  ASN A CG  
515  O OD1 . ASN A 72  ? 0.38569 0.46283 0.54304 -0.01022 -0.03349 0.02031  79  ASN A OD1 
516  N ND2 . ASN A 72  ? 0.40199 0.46497 0.53349 -0.01556 -0.05287 0.01610  79  ASN A ND2 
517  N N   . LEU A 73  ? 0.41460 0.42507 0.49790 -0.01547 -0.00490 0.02410  80  LEU A N   
518  C CA  . LEU A 73  ? 0.40992 0.40210 0.47021 -0.01553 -0.00059 0.02693  80  LEU A CA  
519  C C   . LEU A 73  ? 0.45202 0.43013 0.50941 -0.02573 0.00008  0.02858  80  LEU A C   
520  O O   . LEU A 73  ? 0.47794 0.46449 0.55065 -0.03607 0.00656  0.02955  80  LEU A O   
521  C CB  . LEU A 73  ? 0.43303 0.42923 0.48847 -0.01413 0.00991  0.02832  80  LEU A CB  
522  C CG  . LEU A 73  ? 0.40311 0.41034 0.46443 -0.00728 0.01052  0.02444  80  LEU A CG  
523  C CD1 . LEU A 73  ? 0.42825 0.43685 0.47963 -0.00681 0.02016  0.02288  80  LEU A CD1 
524  C CD2 . LEU A 73  ? 0.39094 0.39377 0.44273 -0.00111 0.00215  0.02421  80  LEU A CD2 
525  N N   . ILE A 74  ? 0.44303 0.39945 0.48183 -0.02316 -0.00563 0.02849  81  ILE A N   
526  C CA  . ILE A 74  ? 0.48354 0.41862 0.51765 -0.03332 -0.00676 0.02829  81  ILE A CA  
527  C C   . ILE A 74  ? 0.51989 0.42554 0.52717 -0.02786 -0.00294 0.03445  81  ILE A C   
528  O O   . ILE A 74  ? 0.55631 0.44815 0.54693 -0.01610 -0.00853 0.03269  81  ILE A O   
529  C CB  . ILE A 74  ? 0.51695 0.44816 0.55208 -0.03419 -0.01885 0.01998  81  ILE A CB  
530  C CG1 . ILE A 74  ? 0.47035 0.43261 0.52874 -0.03503 -0.02494 0.01618  81  ILE A CG1 
531  C CG2 . ILE A 74  ? 0.50338 0.41113 0.53628 -0.04864 -0.02030 0.01712  81  ILE A CG2 
532  C CD1 . ILE A 74  ? 0.52292 0.48489 0.57486 -0.03142 -0.03781 0.00909  81  ILE A CD1 
533  N N   . PRO A 75  ? 0.51431 0.41019 0.51617 -0.03510 0.00703  0.04258  82  PRO A N   
534  C CA  . PRO A 75  ? 0.58489 0.44801 0.55907 -0.02952 0.00968  0.05097  82  PRO A CA  
535  C C   . PRO A 75  ? 0.66837 0.49592 0.63600 -0.04019 0.00873  0.05112  82  PRO A C   
536  O O   . PRO A 75  ? 0.64827 0.47891 0.63411 -0.05855 0.01017  0.04763  82  PRO A O   
537  C CB  . PRO A 75  ? 0.63237 0.50217 0.60093 -0.03346 0.02169  0.06085  82  PRO A CB  
538  C CG  . PRO A 75  ? 0.56551 0.46371 0.56277 -0.04743 0.02802  0.05673  82  PRO A CG  
539  C CD  . PRO A 75  ? 0.58758 0.50344 0.60746 -0.04714 0.01741  0.04538  82  PRO A CD  
540  N N   . ASN A 76  ? 0.64039 0.43375 0.58251 -0.02817 0.00599  0.05466  83  ASN A N   
541  C CA  . ASN A 76  ? 0.66431 0.41308 0.59441 -0.03579 0.00502  0.05402  83  ASN A CA  
542  C C   . ASN A 76  ? 0.74903 0.46036 0.64867 -0.02278 0.00901  0.06755  83  ASN A C   
543  O O   . ASN A 76  ? 0.85521 0.56145 0.74005 -0.00002 0.00333  0.06712  83  ASN A O   
544  C CB  . ASN A 76  ? 0.73131 0.47243 0.66106 -0.02976 -0.00615 0.03881  83  ASN A CB  
545  C CG  . ASN A 76  ? 0.84207 0.53641 0.76162 -0.04176 -0.00783 0.03366  83  ASN A CG  
546  O OD1 . ASN A 76  ? 0.90590 0.55535 0.80108 -0.03377 -0.00511 0.04010  83  ASN A OD1 
547  N ND2 . ASN A 76  ? 0.85874 0.56221 0.79650 -0.06072 -0.01330 0.02160  83  ASN A ND2 
548  N N   . LYS A 77  ? 0.76252 0.44921 0.65316 -0.03658 0.01902  0.08056  84  LYS A N   
549  C CA  . LYS A 77  ? 0.85842 0.50762 0.71677 -0.02334 0.02275  0.09697  84  LYS A CA  
550  C C   . LYS A 77  ? 0.96169 0.55594 0.80055 -0.01443 0.01758  0.09475  84  LYS A C   
551  O O   . LYS A 77  ? 0.99549 0.56460 0.80903 0.00855  0.01543  0.10432  84  LYS A O   
552  C CB  . LYS A 77  ? 0.81917 0.45685 0.67024 -0.04169 0.03690  0.11366  84  LYS A CB  
553  C CG  . LYS A 77  ? 0.89435 0.57331 0.74505 -0.03765 0.04306  0.12102  84  LYS A CG  
554  C CD  . LYS A 77  ? 1.00426 0.68099 0.85380 -0.06006 0.05977  0.13389  84  LYS A CD  
555  C CE  . LYS A 77  ? 0.97068 0.68691 0.81554 -0.05475 0.06665  0.13866  84  LYS A CE  
556  N NZ  . LYS A 77  ? 1.07682 0.84004 0.95730 -0.06923 0.07258  0.12632  84  LYS A NZ  
557  N N   . GLN A 78  ? 0.93495 0.51006 0.78467 -0.03117 0.01488  0.08145  85  GLN A N   
558  C CA  . GLN A 78  ? 1.04974 0.56812 0.87916 -0.02306 0.01026  0.07566  85  GLN A CA  
559  C C   . GLN A 78  ? 0.96723 0.49505 0.78815 0.00908  0.00115  0.06653  85  GLN A C   
560  O O   . GLN A 78  ? 0.98094 0.47126 0.77746 0.03200  0.00017  0.07244  85  GLN A O   
561  C CB  . GLN A 78  ? 1.08297 0.58633 0.92702 -0.04937 0.00714  0.05897  85  GLN A CB  
562  C CG  . GLN A 78  ? 1.22606 0.65418 1.04707 -0.05594 0.00845  0.05842  85  GLN A CG  
563  C CD  . GLN A 78  ? 1.42555 0.83911 1.26321 -0.09538 0.01172  0.05330  85  GLN A CD  
564  O OE1 . GLN A 78  ? 1.43121 0.86583 1.28904 -0.11042 0.00312  0.03327  85  GLN A OE1 
565  N NE2 . GLN A 78  ? 1.39159 0.77064 1.22066 -0.11296 0.02397  0.07198  85  GLN A NE2 
566  N N   . ASP A 79  ? 0.91674 0.49547 0.75822 0.01183  -0.00482 0.05308  86  ASP A N   
567  C CA  . ASP A 79  ? 0.92978 0.52682 0.76729 0.03929  -0.01123 0.04474  86  ASP A CA  
568  C C   . ASP A 79  ? 0.91633 0.54972 0.75428 0.05811  -0.01063 0.05673  86  ASP A C   
569  O O   . ASP A 79  ? 0.86683 0.51600 0.70213 0.08197  -0.01482 0.05263  86  ASP A O   
570  C CB  . ASP A 79  ? 0.88748 0.52046 0.74388 0.03227  -0.01724 0.02666  86  ASP A CB  
571  C CG  . ASP A 79  ? 0.98849 0.59391 0.84629 0.01084  -0.02055 0.01293  86  ASP A CG  
572  O OD1 . ASP A 79  ? 1.00270 0.55460 0.84508 0.00356  -0.01803 0.01473  86  ASP A OD1 
573  O OD2 . ASP A 79  ? 1.02337 0.65991 0.89712 0.00054  -0.02634 0.00064  86  ASP A OD2 
574  N N   . ARG A 80  ? 0.92997 0.57857 0.77112 0.04741  -0.00530 0.07035  87  ARG A N   
575  C CA  . ARG A 80  ? 0.84785 0.53387 0.68908 0.06114  -0.00601 0.07935  87  ARG A CA  
576  C C   . ARG A 80  ? 0.75098 0.48824 0.61335 0.06647  -0.01114 0.06695  87  ARG A C   
577  O O   . ARG A 80  ? 0.77725 0.53683 0.63876 0.08655  -0.01558 0.06692  87  ARG A O   
578  C CB  . ARG A 80  ? 0.79865 0.46145 0.61537 0.08760  -0.00869 0.09140  87  ARG A CB  
579  C CG  . ARG A 80  ? 0.77302 0.46127 0.58167 0.09438  -0.00866 0.10585  87  ARG A CG  
580  C CD  . ARG A 80  ? 0.91068 0.57014 0.69208 0.11998  -0.01233 0.12106  87  ARG A CD  
581  N NE  . ARG A 80  ? 1.00170 0.68827 0.78956 0.14763  -0.02147 0.11489  87  ARG A NE  
582  C CZ  . ARG A 80  ? 1.01702 0.67693 0.78925 0.17542  -0.02590 0.12075  87  ARG A CZ  
583  N NH1 . ARG A 80  ? 0.96381 0.56199 0.70938 0.17996  -0.02267 0.13386  87  ARG A NH1 
584  N NH2 . ARG A 80  ? 1.02335 0.71915 0.80790 0.19952  -0.03302 0.11374  87  ARG A NH2 
585  N N   . THR A 81  ? 0.68446 0.44117 0.56693 0.04792  -0.01051 0.05719  88  THR A N   
586  C CA  . THR A 81  ? 0.70835 0.50826 0.60936 0.05000  -0.01422 0.04760  88  THR A CA  
587  C C   . THR A 81  ? 0.66933 0.49797 0.58910 0.03243  -0.01071 0.04811  88  THR A C   
588  O O   . THR A 81  ? 0.70458 0.52236 0.62939 0.01534  -0.00606 0.05035  88  THR A O   
589  C CB  . THR A 81  ? 0.69505 0.48986 0.59956 0.05012  -0.01866 0.03365  88  THR A CB  
590  O OG1 . THR A 81  ? 0.65753 0.43471 0.56760 0.02950  -0.01851 0.02904  88  THR A OG1 
591  C CG2 . THR A 81  ? 0.66152 0.42810 0.54695 0.07055  -0.02065 0.03044  88  THR A CG2 
592  N N   . LEU A 82  ? 0.56350 0.42871 0.49468 0.03674  -0.01222 0.04570  89  LEU A N   
593  C CA  . LEU A 82  ? 0.57199 0.46376 0.52204 0.02393  -0.00949 0.04333  89  LEU A CA  
594  C C   . LEU A 82  ? 0.60722 0.51982 0.57077 0.02559  -0.01429 0.03471  89  LEU A C   
595  O O   . LEU A 82  ? 0.51951 0.44670 0.48138 0.03669  -0.01683 0.03328  89  LEU A O   
596  C CB  . LEU A 82  ? 0.49831 0.40878 0.44588 0.02615  -0.00626 0.04840  89  LEU A CB  
597  C CG  . LEU A 82  ? 0.53401 0.46906 0.49951 0.01620  -0.00265 0.04409  89  LEU A CG  
598  C CD1 . LEU A 82  ? 0.47291 0.40174 0.44756 0.00204  0.00430  0.04536  89  LEU A CD1 
599  C CD2 . LEU A 82  ? 0.48042 0.43220 0.43953 0.01978  -0.00119 0.04526  89  LEU A CD2 
600  N N   . THR A 83  ? 0.51983 0.43584 0.49689 0.01451  -0.01554 0.02994  90  THR A N   
601  C CA  . THR A 83  ? 0.50073 0.43214 0.48571 0.01635  -0.02071 0.02383  90  THR A CA  
602  C C   . THR A 83  ? 0.52360 0.47864 0.52722 0.01039  -0.01925 0.02448  90  THR A C   
603  O O   . THR A 83  ? 0.51503 0.47325 0.53078 0.00125  -0.01597 0.02558  90  THR A O   
604  C CB  . THR A 83  ? 0.53778 0.45440 0.52027 0.01117  -0.02640 0.01711  90  THR A CB  
605  O OG1 . THR A 83  ? 0.56623 0.45461 0.52911 0.01845  -0.02697 0.01500  90  THR A OG1 
606  C CG2 . THR A 83  ? 0.48560 0.41850 0.47056 0.01443  -0.03207 0.01227  90  THR A CG2 
607  N N   . ILE A 84  ? 0.51400 0.48478 0.52020 0.01587  -0.02054 0.02406  91  ILE A N   
608  C CA  . ILE A 84  ? 0.51580 0.50243 0.53713 0.01238  -0.01948 0.02487  91  ILE A CA  
609  C C   . ILE A 84  ? 0.51724 0.50853 0.54047 0.01353  -0.02557 0.02387  91  ILE A C   
610  O O   . ILE A 84  ? 0.51165 0.50579 0.52504 0.01920  -0.02672 0.02410  91  ILE A O   
611  C CB  . ILE A 84  ? 0.50701 0.50408 0.52821 0.01511  -0.01586 0.02617  91  ILE A CB  
612  C CG1 . ILE A 84  ? 0.46947 0.46425 0.48513 0.01445  -0.01154 0.02685  91  ILE A CG1 
613  C CG2 . ILE A 84  ? 0.42432 0.42946 0.45882 0.01195  -0.01463 0.02652  91  ILE A CG2 
614  C CD1 . ILE A 84  ? 0.57458 0.56500 0.57507 0.02225  -0.01324 0.02866  91  ILE A CD1 
615  N N   . VAL A 85  ? 0.46576 0.46089 0.50147 0.00864  -0.02936 0.02321  92  VAL A N   
616  C CA  . VAL A 85  ? 0.44356 0.44446 0.47914 0.01020  -0.03758 0.02301  92  VAL A CA  
617  C C   . VAL A 85  ? 0.51576 0.52778 0.56543 0.01230  -0.03733 0.02828  92  VAL A C   
618  O O   . VAL A 85  ? 0.46457 0.48191 0.53157 0.01020  -0.03369 0.02850  92  VAL A O   
619  C CB  . VAL A 85  ? 0.44441 0.44395 0.48458 0.00361  -0.04526 0.01780  92  VAL A CB  
620  C CG1 . VAL A 85  ? 0.42247 0.42970 0.45725 0.00632  -0.05618 0.01685  92  VAL A CG1 
621  C CG2 . VAL A 85  ? 0.51120 0.49104 0.53697 0.00065  -0.04417 0.01254  92  VAL A CG2 
622  N N   . ASP A 86  ? 0.46372 0.47755 0.50471 0.01718  -0.04005 0.03292  93  ASP A N   
623  C CA  . ASP A 86  ? 0.46717 0.48516 0.51817 0.02068  -0.04125 0.03976  93  ASP A CA  
624  C C   . ASP A 86  ? 0.53584 0.55736 0.57540 0.02518  -0.05079 0.04451  93  ASP A C   
625  O O   . ASP A 86  ? 0.55846 0.57838 0.57820 0.02562  -0.05324 0.04228  93  ASP A O   
626  C CB  . ASP A 86  ? 0.45876 0.47048 0.50862 0.02070  -0.03243 0.04389  93  ASP A CB  
627  C CG  . ASP A 86  ? 0.57136 0.58221 0.60339 0.02073  -0.03011 0.04744  93  ASP A CG  
628  O OD1 . ASP A 86  ? 0.57172 0.58241 0.59382 0.02380  -0.03349 0.05462  93  ASP A OD1 
629  O OD2 . ASP A 86  ? 0.56232 0.57504 0.59037 0.01830  -0.02454 0.04376  93  ASP A OD2 
630  N N   . THR A 87  ? 0.46269 0.48914 0.51324 0.03027  -0.05621 0.05100  94  THR A N   
631  C CA  . THR A 87  ? 0.47389 0.50425 0.51138 0.03638  -0.06659 0.05830  94  THR A CA  
632  C C   . THR A 87  ? 0.56039 0.57904 0.58742 0.04099  -0.06127 0.07136  94  THR A C   
633  O O   . THR A 87  ? 0.58018 0.59811 0.60640 0.04897  -0.06797 0.08189  94  THR A O   
634  C CB  . THR A 87  ? 0.55693 0.60333 0.61346 0.04062  -0.07889 0.05832  94  THR A CB  
635  O OG1 . THR A 87  ? 0.54709 0.59431 0.62896 0.04503  -0.07333 0.06112  94  THR A OG1 
636  C CG2 . THR A 87  ? 0.49870 0.55649 0.56311 0.03195  -0.08486 0.04561  94  THR A CG2 
637  N N   . GLY A 88  ? 0.55968 0.56918 0.57908 0.03565  -0.04948 0.07162  95  GLY A N   
638  C CA  . GLY A 88  ? 0.47128 0.46823 0.48272 0.03533  -0.04233 0.08344  95  GLY A CA  
639  C C   . GLY A 88  ? 0.53769 0.53561 0.52228 0.03744  -0.04402 0.09315  95  GLY A C   
640  O O   . GLY A 88  ? 0.57955 0.58705 0.55030 0.04193  -0.05375 0.09108  95  GLY A O   
641  N N   . ILE A 89  ? 0.59235 0.58030 0.56838 0.03272  -0.03373 0.10341  96  ILE A N   
642  C CA  . ILE A 89  ? 0.60400 0.59239 0.55262 0.03371  -0.03167 0.11553  96  ILE A CA  
643  C C   . ILE A 89  ? 0.58395 0.58962 0.51601 0.03318  -0.02973 0.10588  96  ILE A C   
644  O O   . ILE A 89  ? 0.64300 0.65339 0.54826 0.03760  -0.03202 0.11124  96  ILE A O   
645  C CB  . ILE A 89  ? 0.62632 0.60014 0.57334 0.02490  -0.01830 0.12858  96  ILE A CB  
646  C CG1 . ILE A 89  ? 0.63543 0.60784 0.55217 0.02558  -0.01440 0.14518  96  ILE A CG1 
647  C CG2 . ILE A 89  ? 0.52057 0.50379 0.48148 0.01314  -0.00678 0.11834  96  ILE A CG2 
648  C CD1 . ILE A 89  ? 0.80625 0.75649 0.71223 0.03309  -0.02046 0.16432  96  ILE A CD1 
649  N N   . GLY A 90  ? 0.54285 0.55676 0.48777 0.02955  -0.02565 0.09167  97  GLY A N   
650  C CA  . GLY A 90  ? 0.58689 0.61346 0.51722 0.03187  -0.02284 0.08191  97  GLY A CA  
651  C C   . GLY A 90  ? 0.56164 0.59870 0.48433 0.02770  -0.00804 0.08756  97  GLY A C   
652  O O   . GLY A 90  ? 0.60389 0.63762 0.53381 0.01963  0.00022  0.09886  97  GLY A O   
653  N N   . MET A 91  ? 0.60910 0.65920 0.51778 0.03301  -0.00397 0.07882  98  MET A N   
654  C CA  . MET A 91  ? 0.66320 0.73169 0.56882 0.03062  0.01142  0.08186  98  MET A CA  
655  C C   . MET A 91  ? 0.63715 0.71471 0.51119 0.03964  0.01505  0.07926  98  MET A C   
656  O O   . MET A 91  ? 0.65064 0.72296 0.51091 0.04884  0.00658  0.06605  98  MET A O   
657  C CB  . MET A 91  ? 0.57794 0.66000 0.50607 0.03050  0.01609  0.07082  98  MET A CB  
658  C CG  . MET A 91  ? 0.50754 0.58693 0.46322 0.01935  0.01663  0.07385  98  MET A CG  
659  S SD  . MET A 91  ? 0.62245 0.72182 0.60004 0.02109  0.01927  0.06179  98  MET A SD  
660  C CE  . MET A 91  ? 0.52238 0.60412 0.49194 0.03364  0.00718  0.04924  98  MET A CE  
661  N N   . THR A 92  ? 0.66842 0.75839 0.52977 0.03589  0.02855  0.09137  99  THR A N   
662  C CA  . THR A 92  ? 0.67063 0.77340 0.50031 0.04477  0.03605  0.08840  99  THR A CA  
663  C C   . THR A 92  ? 0.73997 0.86535 0.57976 0.05215  0.04673  0.07409  99  THR A C   
664  O O   . THR A 92  ? 0.69000 0.82333 0.56106 0.04938  0.04786  0.06926  99  THR A O   
665  C CB  . THR A 92  ? 0.71722 0.82644 0.52820 0.03767  0.04912  0.10858  99  THR A CB  
666  O OG1 . THR A 92  ? 0.66694 0.79657 0.50309 0.02633  0.06619  0.11504  99  THR A OG1 
667  C CG2 . THR A 92  ? 0.75207 0.83597 0.55720 0.03210  0.03856  0.12546  99  THR A CG2 
668  N N   . LYS A 93  ? 0.68110 0.81727 0.49230 0.06352  0.05420  0.06679  100 LYS A N   
669  C CA  . LYS A 93  ? 0.74331 0.90297 0.56332 0.07437  0.06626  0.05387  100 LYS A CA  
670  C C   . LYS A 93  ? 0.70637 0.89920 0.55511 0.06464  0.08340  0.06466  100 LYS A C   
671  O O   . LYS A 93  ? 0.68518 0.89729 0.56289 0.06856  0.08665  0.05691  100 LYS A O   
672  C CB  . LYS A 93  ? 0.74120 0.90575 0.52207 0.08920  0.07334  0.04352  100 LYS A CB  
673  C CG  . LYS A 93  ? 0.77264 0.95744 0.56147 0.10580  0.08479  0.02737  100 LYS A CG  
674  C CD  . LYS A 93  ? 0.77574 0.96095 0.52252 0.12233  0.09228  0.01377  100 LYS A CD  
675  C CE  . LYS A 93  ? 0.79560 0.99285 0.55159 0.14313  0.10110  -0.00483 100 LYS A CE  
676  N NZ  . LYS A 93  ? 0.76823 0.98126 0.48983 0.15936  0.11810  -0.01533 100 LYS A NZ  
677  N N   . ALA A 94  ? 0.64631 0.84617 0.48764 0.05114  0.09383  0.08325  101 ALA A N   
678  C CA  . ALA A 94  ? 0.70221 0.93164 0.57370 0.03617  0.10948  0.09430  101 ALA A CA  
679  C C   . ALA A 94  ? 0.71983 0.94265 0.63001 0.02487  0.09926  0.09342  101 ALA A C   
680  O O   . ALA A 94  ? 0.66877 0.92214 0.61152 0.01979  0.10623  0.09033  101 ALA A O   
681  C CB  . ALA A 94  ? 0.63594 0.86276 0.48913 0.02100  0.12126  0.11672  101 ALA A CB  
682  N N   . ASP A 95  ? 0.64174 0.82789 0.54889 0.02139  0.08255  0.09538  102 ASP A N   
683  C CA  . ASP A 95  ? 0.72160 0.89923 0.66051 0.01234  0.07315  0.09251  102 ASP A CA  
684  C C   . ASP A 95  ? 0.68283 0.87551 0.63965 0.02440  0.06814  0.07550  102 ASP A C   
685  O O   . ASP A 95  ? 0.69004 0.90233 0.67657 0.01756  0.06939  0.07297  102 ASP A O   
686  C CB  . ASP A 95  ? 0.71381 0.85196 0.64442 0.01090  0.05733  0.09575  102 ASP A CB  
687  C CG  . ASP A 95  ? 0.80019 0.91996 0.71895 -0.00082 0.06081  0.11499  102 ASP A CG  
688  O OD1 . ASP A 95  ? 0.81282 0.94378 0.74240 -0.01588 0.07415  0.12584  102 ASP A OD1 
689  O OD2 . ASP A 95  ? 0.85592 0.95013 0.75525 0.00490  0.04985  0.11979  102 ASP A OD2 
690  N N   . LEU A 96  ? 0.69351 0.87579 0.63088 0.04238  0.06177  0.06379  103 LEU A N   
691  C CA  . LEU A 96  ? 0.67840 0.86588 0.62790 0.05599  0.05637  0.04941  103 LEU A CA  
692  C C   . LEU A 96  ? 0.61766 0.84838 0.58754 0.06134  0.06909  0.04669  103 LEU A C   
693  O O   . LEU A 96  ? 0.64204 0.88739 0.63764 0.06278  0.06502  0.04240  103 LEU A O   
694  C CB  . LEU A 96  ? 0.63771 0.80239 0.55899 0.07281  0.04966  0.03751  103 LEU A CB  
695  C CG  . LEU A 96  ? 0.64879 0.77623 0.56287 0.07044  0.03283  0.03416  103 LEU A CG  
696  C CD1 . LEU A 96  ? 0.59917 0.70668 0.48790 0.08489  0.02712  0.01992  103 LEU A CD1 
697  C CD2 . LEU A 96  ? 0.58149 0.70403 0.52217 0.06550  0.02556  0.03335  103 LEU A CD2 
698  N N   . ILE A 97  ? 0.66768 0.92263 0.62630 0.06520  0.08462  0.04924  104 ILE A N   
699  C CA  . ILE A 97  ? 0.68657 0.99021 0.66852 0.07141  0.09832  0.04646  104 ILE A CA  
700  C C   . ILE A 97  ? 0.64439 0.97640 0.66144 0.04867  0.10281  0.05663  104 ILE A C   
701  O O   . ILE A 97  ? 0.68319 1.05267 0.73215 0.05095  0.10416  0.05210  104 ILE A O   
702  C CB  . ILE A 97  ? 0.63200 0.95562 0.59093 0.08171  0.11616  0.04588  104 ILE A CB  
703  C CG1 . ILE A 97  ? 0.56500 0.85894 0.48951 0.10490  0.11001  0.03103  104 ILE A CG1 
704  C CG2 . ILE A 97  ? 0.66708 1.04918 0.65537 0.08730  0.13291  0.04414  104 ILE A CG2 
705  C CD1 . ILE A 97  ? 0.60322 0.89759 0.48909 0.11090  0.12251  0.03077  104 ILE A CD1 
706  N N   . ASN A 98  ? 0.66897 0.98213 0.68089 0.02672  0.10375  0.06992  105 ASN A N   
707  C CA  . ASN A 98  ? 0.72714 1.05785 0.76940 0.00180  0.10762  0.07858  105 ASN A CA  
708  C C   . ASN A 98  ? 0.73738 1.04968 0.79781 -0.00416 0.09022  0.07263  105 ASN A C   
709  O O   . ASN A 98  ? 0.74324 1.03123 0.80718 -0.02326 0.08624  0.07953  105 ASN A O   
710  C CB  . ASN A 98  ? 0.67025 0.98000 0.69605 -0.01794 0.11623  0.09602  105 ASN A CB  
711  C CG  . ASN A 98  ? 0.87073 1.20666 0.92584 -0.04492 0.12804  0.10569  105 ASN A CG  
712  O OD1 . ASN A 98  ? 1.00599 1.32497 1.05000 -0.06282 0.13728  0.12176  105 ASN A OD1 
713  N ND2 . ASN A 98  ? 0.88380 1.26097 0.97624 -0.04849 0.12729  0.09640  105 ASN A ND2 
714  N N   . ASN A 99  ? 0.65845 0.97976 0.72773 0.01332  0.08048  0.06008  106 ASN A N   
715  C CA  . ASN A 99  ? 0.81418 1.12516 0.89909 0.00958  0.06527  0.05405  106 ASN A CA  
716  C C   . ASN A 99  ? 0.67863 0.93710 0.74478 0.00451  0.05438  0.05598  106 ASN A C   
717  O O   . ASN A 99  ? 0.65080 0.89669 0.72816 -0.00982 0.04763  0.05597  106 ASN A O   
718  C CB  . ASN A 99  ? 0.61334 0.95805 0.73191 -0.01187 0.06730  0.05537  106 ASN A CB  
719  C CG  . ASN A 99  ? 0.67064 1.07611 0.81417 -0.00809 0.07851  0.05386  106 ASN A CG  
720  O OD1 . ASN A 99  ? 0.73562 1.16400 0.88377 0.01533  0.07587  0.04609  106 ASN A OD1 
721  N ND2 . ASN A 99  ? 0.64088 1.07284 0.80185 -0.03090 0.09174  0.06176  106 ASN A ND2 
722  N N   . LEU A 100 ? 0.75453 0.98441 0.79255 0.01683  0.05255  0.05624  107 LEU A N   
723  C CA  . LEU A 100 ? 0.76853 0.95493 0.79115 0.01571  0.04156  0.05697  107 LEU A CA  
724  C C   . LEU A 100 ? 0.75405 0.92278 0.78053 -0.00377 0.04260  0.06710  107 LEU A C   
725  O O   . LEU A 100 ? 0.73074 0.87525 0.76107 -0.00863 0.03388  0.06551  107 LEU A O   
726  C CB  . LEU A 100 ? 0.64926 0.82382 0.67789 0.02314  0.02935  0.04762  107 LEU A CB  
727  C CG  . LEU A 100 ? 0.60933 0.78845 0.63005 0.04408  0.02695  0.03879  107 LEU A CG  
728  C CD1 . LEU A 100 ? 0.66667 0.88174 0.70900 0.04941  0.02819  0.03501  107 LEU A CD1 
729  C CD2 . LEU A 100 ? 0.51571 0.66020 0.52464 0.05037  0.01575  0.03388  107 LEU A CD2 
730  N N   . GLY A 101 ? 0.65438 0.83359 0.67879 -0.01441 0.05458  0.07795  108 GLY A N   
731  C CA  . GLY A 101 ? 0.71096 0.86547 0.73413 -0.03115 0.05651  0.08977  108 GLY A CA  
732  C C   . GLY A 101 ? 0.89686 1.05337 0.94569 -0.05009 0.05642  0.08788  108 GLY A C   
733  O O   . GLY A 101 ? 0.92537 1.05019 0.97290 -0.06105 0.05472  0.09386  108 GLY A O   
734  N N   . THR A 102 ? 0.90451 1.09720 0.97620 -0.05343 0.05738  0.07890  109 THR A N   
735  C CA  . THR A 102 ? 0.85735 1.05740 0.95333 -0.07311 0.05575  0.07432  109 THR A CA  
736  C C   . THR A 102 ? 0.81361 1.05475 0.93057 -0.09003 0.06857  0.07863  109 THR A C   
737  O O   . THR A 102 ? 0.87643 1.14825 0.99187 -0.08217 0.07875  0.08282  109 THR A O   
738  C CB  . THR A 102 ? 0.76926 0.98128 0.87636 -0.06463 0.04302  0.05942  109 THR A CB  
739  O OG1 . THR A 102 ? 0.75519 1.01396 0.87513 -0.05418 0.04469  0.05457  109 THR A OG1 
740  C CG2 . THR A 102 ? 0.54383 0.72303 0.63105 -0.04667 0.03312  0.05586  109 THR A CG2 
741  N N   . ILE A 103 ? 0.86494 1.10696 1.00201 -0.11437 0.06867  0.07652  110 ILE A N   
742  C CA  . ILE A 103 ? 0.84233 1.12958 1.00748 -0.13509 0.07888  0.07779  110 ILE A CA  
743  C C   . ILE A 103 ? 0.68849 1.02135 0.87938 -0.13074 0.06812  0.06194  110 ILE A C   
744  O O   . ILE A 103 ? 0.65815 1.00398 0.87131 -0.15161 0.06274  0.05378  110 ILE A O   
745  C CB  . ILE A 103 ? 0.88891 1.14970 1.06172 -0.16719 0.08471  0.08394  110 ILE A CB  
746  C CG1 . ILE A 103 ? 0.89037 1.10388 1.05607 -0.17015 0.07096  0.07426  110 ILE A CG1 
747  C CG2 . ILE A 103 ? 0.79558 1.02726 0.94655 -0.17235 0.09966  0.10459  110 ILE A CG2 
748  C CD1 . ILE A 103 ? 0.87930 1.08292 1.06380 -0.20261 0.07157  0.06898  110 ILE A CD1 
749  N N   . ALA A 104 ? 0.80080 0.79647 0.97569 -0.12797 0.14815  -0.00161 111 ALA A N   
750  C CA  . ALA A 104 ? 0.76301 0.79776 0.94429 -0.12836 0.12804  -0.02725 111 ALA A CA  
751  C C   . ALA A 104 ? 0.68648 0.76791 0.89989 -0.15180 0.13055  -0.04685 111 ALA A C   
752  O O   . ALA A 104 ? 0.66777 0.77899 0.89071 -0.15832 0.11621  -0.07103 111 ALA A O   
753  C CB  . ALA A 104 ? 0.68419 0.74282 0.84499 -0.10131 0.10965  -0.02036 111 ALA A CB  
754  N N   . LYS A 105 ? 0.73330 0.82817 0.96391 -0.16465 0.14839  -0.03672 112 LYS A N   
755  C CA  . LYS A 105 ? 0.69170 0.84136 0.95919 -0.18815 0.15118  -0.05601 112 LYS A CA  
756  C C   . LYS A 105 ? 0.77383 0.91040 1.06701 -0.22154 0.15750  -0.08142 112 LYS A C   
757  O O   . LYS A 105 ? 0.79986 0.98473 1.11241 -0.23333 0.14273  -0.11021 112 LYS A O   
758  C CB  . LYS A 105 ? 0.76230 0.93005 1.04326 -0.19611 0.17313  -0.03781 112 LYS A CB  
759  C CG  . LYS A 105 ? 0.80352 1.04435 1.12617 -0.21557 0.17478  -0.05648 112 LYS A CG  
760  C CD  . LYS A 105 ? 0.74436 0.98114 1.09907 -0.25180 0.20582  -0.05073 112 LYS A CD  
761  C CE  . LYS A 105 ? 0.82111 1.14283 1.21997 -0.26855 0.20908  -0.06615 112 LYS A CE  
762  N NZ  . LYS A 105 ? 0.88177 1.20057 1.31848 -0.31095 0.23690  -0.06647 112 LYS A NZ  
763  N N   . SER A 106 ? 0.81221 0.88412 1.10587 -0.23615 0.17929  -0.07211 113 SER A N   
764  C CA  . SER A 106 ? 0.78759 0.83643 1.10641 -0.26917 0.18819  -0.10032 113 SER A CA  
765  C C   . SER A 106 ? 0.78557 0.81891 1.08498 -0.25898 0.16974  -0.12334 113 SER A C   
766  O O   . SER A 106 ? 0.81435 0.86359 1.13223 -0.28313 0.16511  -0.15985 113 SER A O   
767  C CB  . SER A 106 ? 0.71500 0.69107 1.04223 -0.28569 0.22071  -0.08058 113 SER A CB  
768  O OG  . SER A 106 ? 0.95333 0.87676 1.24484 -0.25388 0.22410  -0.04713 113 SER A OG  
769  N N   . GLY A 107 ? 0.69529 0.70322 0.95823 -0.22506 0.15952  -0.10449 114 GLY A N   
770  C CA  . GLY A 107 ? 0.73564 0.73442 0.97918 -0.21439 0.14436  -0.12365 114 GLY A CA  
771  C C   . GLY A 107 ? 0.75178 0.82058 0.99330 -0.21118 0.11814  -0.14580 114 GLY A C   
772  O O   . GLY A 107 ? 0.74460 0.82363 0.98181 -0.21856 0.10869  -0.17439 114 GLY A O   
773  N N   . THR A 108 ? 0.71196 0.83069 0.95485 -0.19757 0.10654  -0.13234 115 THR A N   
774  C CA  . THR A 108 ? 0.67923 0.86688 0.92319 -0.19065 0.08219  -0.14817 115 THR A CA  
775  C C   . THR A 108 ? 0.71166 0.94829 0.98974 -0.22357 0.08038  -0.18272 115 THR A C   
776  O O   . THR A 108 ? 0.77483 1.05890 1.04903 -0.22349 0.06036  -0.20534 115 THR A O   
777  C CB  . THR A 108 ? 0.63637 0.86059 0.87940 -0.16696 0.07391  -0.12629 115 THR A CB  
778  O OG1 . THR A 108 ? 0.64673 0.82645 0.85948 -0.14044 0.07509  -0.09928 115 THR A OG1 
779  C CG2 . THR A 108 ? 0.55805 0.84911 0.80165 -0.15299 0.04892  -0.13665 115 THR A CG2 
780  N N   . LYS A 109 ? 0.72240 0.95120 1.03407 -0.25307 0.10139  -0.18696 116 LYS A N   
781  C CA  . LYS A 109 ? 0.73368 1.01115 1.08508 -0.29057 0.10144  -0.22288 116 LYS A CA  
782  C C   . LYS A 109 ? 0.82062 1.07341 1.16658 -0.31051 0.09973  -0.25890 116 LYS A C   
783  O O   . LYS A 109 ? 0.82793 1.14247 1.18115 -0.32183 0.08032  -0.29260 116 LYS A O   
784  C CB  . LYS A 109 ? 0.75036 1.01445 1.13978 -0.32057 0.12968  -0.21579 116 LYS A CB  
785  C CG  . LYS A 109 ? 0.83122 1.13317 1.25668 -0.35595 0.13085  -0.24747 116 LYS A CG  
786  C CD  . LYS A 109 ? 0.96412 1.36156 1.39770 -0.35254 0.09964  -0.27555 116 LYS A CD  
787  C CE  . LYS A 109 ? 0.99362 1.46860 1.43834 -0.32816 0.08586  -0.25751 116 LYS A CE  
788  N NZ  . LYS A 109 ? 0.83635 1.35146 1.31745 -0.34295 0.09668  -0.25369 116 LYS A NZ  
789  N N   . ALA A 110 ? 0.82076 0.98668 1.15358 -0.31328 0.11995  -0.25339 117 ALA A N   
790  C CA  . ALA A 110 ? 0.84432 0.98062 1.17106 -0.32945 0.12156  -0.29030 117 ALA A CA  
791  C C   . ALA A 110 ? 0.89742 1.06788 1.18555 -0.30311 0.09520  -0.30008 117 ALA A C   
792  O O   . ALA A 110 ? 0.94477 1.14041 1.23027 -0.31901 0.08593  -0.34098 117 ALA A O   
793  C CB  . ALA A 110 ? 0.85215 0.88596 1.17229 -0.32866 0.14957  -0.27654 117 ALA A CB  
794  N N   . PHE A 111 ? 0.76230 0.93552 1.01987 -0.26438 0.08385  -0.26384 118 PHE A N   
795  C CA  . PHE A 111 ? 0.76056 0.96228 0.98100 -0.23898 0.06209  -0.26589 118 PHE A CA  
796  C C   . PHE A 111 ? 0.76524 1.06106 0.99138 -0.24252 0.03625  -0.28576 118 PHE A C   
797  O O   . PHE A 111 ? 0.76059 1.08939 0.96759 -0.24428 0.02231  -0.31239 118 PHE A O   
798  C CB  . PHE A 111 ? 0.69455 0.87372 0.88778 -0.20114 0.05852  -0.22186 118 PHE A CB  
799  C CG  . PHE A 111 ? 0.61345 0.81429 0.76956 -0.17559 0.04042  -0.21698 118 PHE A CG  
800  C CD1 . PHE A 111 ? 0.73556 0.93823 0.87242 -0.18143 0.03824  -0.24483 118 PHE A CD1 
801  C CD2 . PHE A 111 ? 0.63658 0.85273 0.77643 -0.14604 0.02812  -0.18428 118 PHE A CD2 
802  C CE1 . PHE A 111 ? 0.64046 0.86494 0.74096 -0.15820 0.02456  -0.23614 118 PHE A CE1 
803  C CE2 . PHE A 111 ? 0.65409 0.88506 0.76110 -0.12427 0.01481  -0.17524 118 PHE A CE2 
804  C CZ  . PHE A 111 ? 0.60956 0.84682 0.69603 -0.13031 0.01336  -0.19911 118 PHE A CZ  
805  N N   . MET A 112 ? 0.74595 1.09108 0.99775 -0.24151 0.02965  -0.27293 119 MET A N   
806  C CA  . MET A 112 ? 0.79038 1.23192 1.05080 -0.23882 0.00365  -0.28713 119 MET A CA  
807  C C   . MET A 112 ? 0.69094 1.17883 0.97900 -0.27920 0.00011  -0.33736 119 MET A C   
808  O O   . MET A 112 ? 0.69034 1.25428 0.97049 -0.27719 -0.02445 -0.35887 119 MET A O   
809  C CB  . MET A 112 ? 0.63674 1.11942 0.92243 -0.22514 0.00018  -0.26196 119 MET A CB  
810  C CG  . MET A 112 ? 0.48787 0.96184 0.74276 -0.18026 -0.01004 -0.22265 119 MET A CG  
811  S SD  . MET A 112 ? 1.07243 1.58563 1.35759 -0.16272 -0.00938 -0.19812 119 MET A SD  
812  C CE  . MET A 112 ? 0.56225 1.04866 0.80561 -0.11285 -0.02118 -0.16013 119 MET A CE  
813  N N   . GLU A 113 ? 0.76917 1.21259 1.08885 -0.31578 0.02445  -0.35587 120 GLU A N   
814  C CA  . GLU A 113 ? 0.85954 1.31497 1.18948 -0.34170 0.02644  -0.39256 120 GLU A CA  
815  C C   . GLU A 113 ? 0.88409 1.32652 1.17721 -0.33913 0.01971  -0.42059 120 GLU A C   
816  O O   . GLU A 113 ? 0.88340 1.38436 1.16969 -0.34439 0.00370  -0.44896 120 GLU A O   
817  C CB  . GLU A 113 ? 0.88303 1.26856 1.24245 -0.36999 0.05801  -0.39336 120 GLU A CB  
818  C CG  . GLU A 113 ? 1.08656 1.50423 1.48512 -0.38065 0.06479  -0.37655 120 GLU A CG  
819  C CD  . GLU A 113 ? 1.18887 1.52679 1.60845 -0.40255 0.09828  -0.36466 120 GLU A CD  
820  O OE1 . GLU A 113 ? 1.19713 1.45046 1.60049 -0.40379 0.11581  -0.36422 120 GLU A OE1 
821  O OE2 . GLU A 113 ? 1.10317 1.46442 1.55498 -0.41635 0.10742  -0.35386 120 GLU A OE2 
822  N N   . ALA A 114 ? 0.89203 1.26032 1.16063 -0.32968 0.03293  -0.41265 121 ALA A N   
823  C CA  . ALA A 114 ? 0.85533 1.20777 1.08723 -0.32437 0.03044  -0.43807 121 ALA A CA  
824  C C   . ALA A 114 ? 0.85832 1.29027 1.05348 -0.29998 -0.00036 -0.43725 121 ALA A C   
825  O O   . ALA A 114 ? 0.91058 1.36984 1.07972 -0.29947 -0.00853 -0.46405 121 ALA A O   
826  C CB  . ALA A 114 ? 0.77347 1.03070 0.98932 -0.31489 0.05265  -0.42515 121 ALA A CB  
827  N N   . LEU A 115 ? 0.83859 1.30285 1.02768 -0.27285 -0.01506 -0.39824 122 LEU A N   
828  C CA  . LEU A 115 ? 0.83763 1.36463 0.98738 -0.24079 -0.04115 -0.38294 122 LEU A CA  
829  C C   . LEU A 115 ? 0.86766 1.49233 1.02261 -0.25015 -0.06438 -0.41165 122 LEU A C   
830  O O   . LEU A 115 ? 0.97755 1.64822 1.09286 -0.23139 -0.08158 -0.41304 122 LEU A O   
831  C CB  . LEU A 115 ? 0.74028 1.26664 0.88705 -0.20484 -0.04698 -0.32786 122 LEU A CB  
832  C CG  . LEU A 115 ? 0.74627 1.19261 0.86318 -0.17812 -0.03255 -0.28981 122 LEU A CG  
833  C CD1 . LEU A 115 ? 0.59171 1.04252 0.70724 -0.14573 -0.03999 -0.24278 122 LEU A CD1 
834  C CD2 . LEU A 115 ? 0.70679 1.14914 0.77683 -0.16599 -0.03560 -0.29626 122 LEU A CD2 
835  N N   . GLN A 116 ? 0.88071 1.52901 1.07977 -0.27196 -0.06072 -0.42411 123 GLN A N   
836  C CA  . GLN A 116 ? 0.98695 1.71431 1.19278 -0.27905 -0.07668 -0.44775 123 GLN A CA  
837  C C   . GLN A 116 ? 0.97535 1.67941 1.18185 -0.30965 -0.06377 -0.49373 123 GLN A C   
838  O O   . GLN A 116 ? 0.85163 1.62225 1.05593 -0.31596 -0.07788 -0.51908 123 GLN A O   
839  C CB  . GLN A 116 ? 0.91080 1.68338 1.16482 -0.28712 -0.07955 -0.44010 123 GLN A CB  
840  C CG  . GLN A 116 ? 0.93597 1.72834 1.19708 -0.25630 -0.08877 -0.39605 123 GLN A CG  
841  C CD  . GLN A 116 ? 1.05418 1.93245 1.29479 -0.21995 -0.11842 -0.37733 123 GLN A CD  
842  O OE1 . GLN A 116 ? 1.02192 1.96264 1.29044 -0.21186 -0.12880 -0.36973 123 GLN A OE1 
843  N NE2 . GLN A 116 ? 1.11823 1.99778 1.30897 -0.19586 -0.13041 -0.36691 123 GLN A NE2 
844  N N   . ALA A 117 ? 1.02270 1.63421 1.23279 -0.32665 -0.03708 -0.50431 124 ALA A N   
845  C CA  . ALA A 117 ? 1.05379 1.62921 1.26775 -0.35342 -0.02095 -0.54636 124 ALA A CA  
846  C C   . ALA A 117 ? 1.10090 1.63718 1.26968 -0.33951 -0.01554 -0.55639 124 ALA A C   
847  O O   . ALA A 117 ? 1.03613 1.49575 1.20861 -0.35279 0.00856  -0.57474 124 ALA A O   
848  C CB  . ALA A 117 ? 0.92534 1.42083 1.18081 -0.38125 0.00870  -0.54937 124 ALA A CB  
849  N N   . GLY A 118 ? 1.04004 1.62776 1.16526 -0.31003 -0.03653 -0.54137 125 GLY A N   
850  C CA  . GLY A 118 ? 1.00367 1.57332 1.08226 -0.29554 -0.03327 -0.55135 125 GLY A CA  
851  C C   . GLY A 118 ? 1.03567 1.55201 1.08605 -0.27067 -0.02543 -0.51858 125 GLY A C   
852  O O   . GLY A 118 ? 1.00849 1.54047 1.01193 -0.24862 -0.03091 -0.51278 125 GLY A O   
853  N N   . ALA A 119 ? 0.92185 1.37807 0.99890 -0.27381 -0.01171 -0.49635 126 ALA A N   
854  C CA  . ALA A 119 ? 0.95018 1.34824 1.00409 -0.25383 -0.00077 -0.47089 126 ALA A CA  
855  C C   . ALA A 119 ? 0.95528 1.39938 0.97711 -0.21670 -0.02095 -0.42264 126 ALA A C   
856  O O   . ALA A 119 ? 0.95220 1.47421 0.97569 -0.21140 -0.04556 -0.41502 126 ALA A O   
857  C CB  . ALA A 119 ? 0.87667 1.19550 0.96991 -0.26055 0.02130  -0.44702 126 ALA A CB  
858  N N   . ASP A 120 ? 0.81722 1.21056 0.81271 -0.18947 -0.00888 -0.38766 127 ASP A N   
859  C CA  . ASP A 120 ? 0.73418 1.14985 0.70166 -0.15474 -0.02134 -0.33714 127 ASP A CA  
860  C C   . ASP A 120 ? 0.73721 1.08104 0.71995 -0.13933 -0.00601 -0.29344 127 ASP A C   
861  O O   . ASP A 120 ? 0.72289 1.00490 0.73244 -0.15223 0.01331  -0.29989 127 ASP A O   
862  C CB  . ASP A 120 ? 0.90134 1.34077 0.81652 -0.13793 -0.02301 -0.33828 127 ASP A CB  
863  C CG  . ASP A 120 ? 0.87938 1.24702 0.78384 -0.12926 0.00283  -0.33036 127 ASP A CG  
864  O OD1 . ASP A 120 ? 0.98639 1.29993 0.91382 -0.14664 0.02218  -0.35879 127 ASP A OD1 
865  O OD2 . ASP A 120 ? 0.84656 1.21243 0.72230 -0.10466 0.00470  -0.29448 127 ASP A OD2 
866  N N   . ILE A 121 ? 0.72166 1.07411 0.68605 -0.11114 -0.01455 -0.24840 128 ILE A N   
867  C CA  . ILE A 121 ? 0.68536 0.98529 0.66673 -0.09779 -0.00581 -0.20916 128 ILE A CA  
868  C C   . ILE A 121 ? 0.76145 0.99356 0.73971 -0.09502 0.01674  -0.20396 128 ILE A C   
869  O O   . ILE A 121 ? 0.68436 0.86782 0.68544 -0.09440 0.02775  -0.18753 128 ILE A O   
870  C CB  . ILE A 121 ? 0.68272 1.00796 0.64708 -0.07023 -0.02040 -0.16701 128 ILE A CB  
871  C CG1 . ILE A 121 ? 0.59269 0.97666 0.57424 -0.06866 -0.04054 -0.16656 128 ILE A CG1 
872  C CG2 . ILE A 121 ? 0.54224 0.81030 0.51557 -0.05638 -0.00984 -0.13106 128 ILE A CG2 
873  C CD1 . ILE A 121 ? 0.58341 0.99001 0.54984 -0.03833 -0.05433 -0.12575 128 ILE A CD1 
874  N N   . SER A 122 ? 0.77143 1.00430 0.72201 -0.09205 0.02426  -0.21826 129 SER A N   
875  C CA  . SER A 122 ? 0.78579 0.96340 0.73596 -0.08501 0.04546  -0.21177 129 SER A CA  
876  C C   . SER A 122 ? 0.74006 0.86231 0.72253 -0.09957 0.06275  -0.23046 129 SER A C   
877  O O   . SER A 122 ? 0.87065 0.94566 0.86033 -0.08964 0.07894  -0.21747 129 SER A O   
878  C CB  . SER A 122 ? 0.68510 0.88148 0.60127 -0.08007 0.05267  -0.23013 129 SER A CB  
879  O OG  . SER A 122 ? 0.74177 0.94290 0.65864 -0.09924 0.05838  -0.28091 129 SER A OG  
880  N N   . MET A 123 ? 0.71774 0.84620 0.72171 -0.12249 0.06038  -0.25845 130 MET A N   
881  C CA  . MET A 123 ? 0.69743 0.76906 0.73325 -0.13839 0.07910  -0.27301 130 MET A CA  
882  C C   . MET A 123 ? 0.70354 0.75351 0.76616 -0.13816 0.07949  -0.24127 130 MET A C   
883  O O   . MET A 123 ? 0.70742 0.72164 0.79807 -0.15557 0.09286  -0.25059 130 MET A O   
884  C CB  . MET A 123 ? 0.73942 0.82620 0.78707 -0.16870 0.08016  -0.32418 130 MET A CB  
885  C CG  . MET A 123 ? 0.82177 0.97226 0.83657 -0.17056 0.06570  -0.35469 130 MET A CG  
886  S SD  . MET A 123 ? 0.93634 1.11151 0.96408 -0.20948 0.06534  -0.42461 130 MET A SD  
887  C CE  . MET A 123 ? 0.89085 0.96526 0.93966 -0.21829 0.10092  -0.44845 130 MET A CE  
888  N N   . ILE A 124 ? 0.69654 0.76511 0.75033 -0.11901 0.06717  -0.20428 131 ILE A N   
889  C CA  . ILE A 124 ? 0.66260 0.72083 0.73729 -0.11773 0.06614  -0.17797 131 ILE A CA  
890  C C   . ILE A 124 ? 0.67031 0.66625 0.75890 -0.11409 0.08564  -0.16209 131 ILE A C   
891  O O   . ILE A 124 ? 0.66080 0.64014 0.77057 -0.12290 0.09250  -0.15276 131 ILE A O   
892  C CB  . ILE A 124 ? 0.62661 0.71362 0.68676 -0.09639 0.04988  -0.14642 131 ILE A CB  
893  C CG1 . ILE A 124 ? 0.53471 0.61271 0.61374 -0.09342 0.04995  -0.12352 131 ILE A CG1 
894  C CG2 . ILE A 124 ? 0.60579 0.67373 0.64427 -0.07678 0.05309  -0.12740 131 ILE A CG2 
895  C CD1 . ILE A 124 ? 0.48659 0.59088 0.55580 -0.07429 0.03472  -0.09931 131 ILE A CD1 
896  N N   . GLY A 125 ? 0.72412 0.68958 0.80132 -0.09955 0.09536  -0.15672 132 GLY A N   
897  C CA  . GLY A 125 ? 0.63209 0.54527 0.72187 -0.09054 0.11175  -0.13802 132 GLY A CA  
898  C C   . GLY A 125 ? 0.71970 0.58866 0.83174 -0.10766 0.13102  -0.15534 132 GLY A C   
899  O O   . GLY A 125 ? 0.77816 0.60625 0.90310 -0.10155 0.14396  -0.13303 132 GLY A O   
900  N N   . GLN A 126 ? 0.70912 0.58547 0.82569 -0.12946 0.13360  -0.19454 133 GLN A N   
901  C CA  . GLN A 126 ? 0.83654 0.66568 0.97825 -0.15103 0.15390  -0.21564 133 GLN A CA  
902  C C   . GLN A 126 ? 0.83268 0.66077 0.99848 -0.16993 0.15687  -0.20244 133 GLN A C   
903  O O   . GLN A 126 ? 0.80863 0.58997 0.99857 -0.18871 0.17727  -0.21105 133 GLN A O   
904  C CB  . GLN A 126 ? 0.82508 0.66984 0.96545 -0.17315 0.15396  -0.26785 133 GLN A CB  
905  C CG  . GLN A 126 ? 0.83025 0.67067 0.94721 -0.15629 0.15777  -0.28616 133 GLN A CG  
906  C CD  . GLN A 126 ? 0.95196 0.81785 1.06176 -0.17855 0.15569  -0.34149 133 GLN A CD  
907  O OE1 . GLN A 126 ? 1.05110 0.97520 1.13202 -0.17310 0.13912  -0.35345 133 GLN A OE1 
908  N NE2 . GLN A 126 ? 0.94552 0.76855 1.08094 -0.20470 0.17296  -0.37571 133 GLN A NE2 
909  N N   . PHE A 127 ? 0.79058 0.66708 0.95161 -0.16526 0.13944  -0.18175 134 PHE A N   
910  C CA  . PHE A 127 ? 0.81307 0.69942 0.99605 -0.18099 0.14283  -0.16897 134 PHE A CA  
911  C C   . PHE A 127 ? 0.74391 0.62378 0.91854 -0.15829 0.14224  -0.12475 134 PHE A C   
912  O O   . PHE A 127 ? 0.74692 0.64465 0.93415 -0.16644 0.14390  -0.11116 134 PHE A O   
913  C CB  . PHE A 127 ? 0.72080 0.67918 0.91048 -0.19684 0.12372  -0.18993 134 PHE A CB  
914  C CG  . PHE A 127 ? 0.79841 0.78018 0.98823 -0.21563 0.11774  -0.23547 134 PHE A CG  
915  C CD1 . PHE A 127 ? 0.80240 0.82639 0.96357 -0.20042 0.09814  -0.24530 134 PHE A CD1 
916  C CD2 . PHE A 127 ? 0.95088 0.91365 1.16875 -0.24996 0.13251  -0.26917 134 PHE A CD2 
917  C CE1 . PHE A 127 ? 0.76492 0.81762 0.92072 -0.21674 0.09189  -0.28847 134 PHE A CE1 
918  C CE2 . PHE A 127 ? 0.91289 0.90191 1.12946 -0.26909 0.12582  -0.31712 134 PHE A CE2 
919  C CZ  . PHE A 127 ? 0.87427 0.91166 1.05747 -0.25132 0.10462  -0.32704 134 PHE A CZ  
920  N N   . GLY A 128 ? 0.63682 0.49725 0.79139 -0.13088 0.14010  -0.10440 135 GLY A N   
921  C CA  . GLY A 128 ? 0.60908 0.46208 0.75545 -0.11065 0.13992  -0.06676 135 GLY A CA  
922  C C   . GLY A 128 ? 0.63396 0.53484 0.76695 -0.09878 0.11972  -0.05513 135 GLY A C   
923  O O   . GLY A 128 ? 0.65285 0.55250 0.77875 -0.08477 0.11885  -0.02906 135 GLY A O   
924  N N   . VAL A 129 ? 0.59715 0.53973 0.72544 -0.10245 0.10369  -0.07355 136 VAL A N   
925  C CA  . VAL A 129 ? 0.52024 0.50142 0.63868 -0.08952 0.08648  -0.06198 136 VAL A CA  
926  C C   . VAL A 129 ? 0.57694 0.56853 0.67520 -0.07442 0.07359  -0.06210 136 VAL A C   
927  O O   . VAL A 129 ? 0.54076 0.56617 0.63165 -0.06759 0.05874  -0.06110 136 VAL A O   
928  C CB  . VAL A 129 ? 0.51092 0.53791 0.64451 -0.10305 0.07921  -0.07575 136 VAL A CB  
929  C CG1 . VAL A 129 ? 0.51738 0.53874 0.67149 -0.11678 0.09411  -0.06901 136 VAL A CG1 
930  C CG2 . VAL A 129 ? 0.52120 0.56926 0.66052 -0.12008 0.07509  -0.10677 136 VAL A CG2 
931  N N   . GLY A 130 ? 0.60944 0.57196 0.70008 -0.06767 0.08097  -0.06085 137 GLY A N   
932  C CA  . GLY A 130 ? 0.53489 0.50806 0.60808 -0.05564 0.07310  -0.05971 137 GLY A CA  
933  C C   . GLY A 130 ? 0.53162 0.51585 0.59604 -0.04085 0.06197  -0.03767 137 GLY A C   
934  O O   . GLY A 130 ? 0.48881 0.48978 0.54017 -0.03451 0.05380  -0.03526 137 GLY A O   
935  N N   . PHE A 131 ? 0.49040 0.46508 0.56077 -0.03606 0.06264  -0.02209 138 PHE A N   
936  C CA  . PHE A 131 ? 0.50389 0.48545 0.56760 -0.02436 0.05288  -0.00683 138 PHE A CA  
937  C C   . PHE A 131 ? 0.51349 0.51975 0.57209 -0.02196 0.04073  -0.00878 138 PHE A C   
938  O O   . PHE A 131 ? 0.45159 0.45895 0.50216 -0.01388 0.03417  0.00027  138 PHE A O   
939  C CB  . PHE A 131 ? 0.40951 0.38415 0.47735 -0.02087 0.05512  0.00449  138 PHE A CB  
940  C CG  . PHE A 131 ? 0.44092 0.42576 0.50350 -0.01241 0.04463  0.01121  138 PHE A CG  
941  C CD1 . PHE A 131 ? 0.40258 0.38196 0.46110 -0.00591 0.03998  0.01860  138 PHE A CD1 
942  C CD2 . PHE A 131 ? 0.49990 0.50057 0.56489 -0.01154 0.04057  0.00771  138 PHE A CD2 
943  C CE1 . PHE A 131 ? 0.37612 0.35907 0.43203 -0.00117 0.03169  0.02021  138 PHE A CE1 
944  C CE2 . PHE A 131 ? 0.43770 0.44135 0.49880 -0.00248 0.03299  0.01023  138 PHE A CE2 
945  C CZ  . PHE A 131 ? 0.51986 0.51130 0.57587 0.00149  0.02863  0.01539  138 PHE A CZ  
946  N N   . TYR A 132 ? 0.44186 0.46906 0.50762 -0.02854 0.03836  -0.01923 139 TYR A N   
947  C CA  . TYR A 132 ? 0.44864 0.50395 0.51242 -0.02118 0.02614  -0.01833 139 TYR A CA  
948  C C   . TYR A 132 ? 0.49703 0.56663 0.54592 -0.01768 0.01929  -0.01908 139 TYR A C   
949  O O   . TYR A 132 ? 0.45038 0.53948 0.49415 -0.00654 0.00897  -0.01120 139 TYR A O   
950  C CB  . TYR A 132 ? 0.44436 0.52903 0.52468 -0.02889 0.02532  -0.02998 139 TYR A CB  
951  C CG  . TYR A 132 ? 0.48074 0.55592 0.57259 -0.03130 0.03434  -0.02571 139 TYR A CG  
952  C CD1 . TYR A 132 ? 0.42520 0.50332 0.51658 -0.01756 0.03089  -0.01668 139 TYR A CD1 
953  C CD2 . TYR A 132 ? 0.48267 0.54364 0.58410 -0.04665 0.04814  -0.03023 139 TYR A CD2 
954  C CE1 . TYR A 132 ? 0.40542 0.48064 0.50208 -0.01892 0.04005  -0.01349 139 TYR A CE1 
955  C CE2 . TYR A 132 ? 0.38338 0.43820 0.49088 -0.04789 0.05808  -0.02165 139 TYR A CE2 
956  C CZ  . TYR A 132 ? 0.42678 0.49264 0.53004 -0.03390 0.05356  -0.01382 139 TYR A CZ  
957  O OH  . TYR A 132 ? 0.58352 0.64915 0.68794 -0.03441 0.06429  -0.00615 139 TYR A OH  
958  N N   . SER A 133 ? 0.45172 0.51238 0.49228 -0.02442 0.02598  -0.02677 140 SER A N   
959  C CA  . SER A 133 ? 0.47246 0.54808 0.49344 -0.01968 0.02194  -0.02470 140 SER A CA  
960  C C   . SER A 133 ? 0.50109 0.56287 0.51331 -0.00757 0.02022  -0.00097 140 SER A C   
961  O O   . SER A 133 ? 0.46146 0.53663 0.45626 -0.00181 0.01741  0.00818  140 SER A O   
962  C CB  . SER A 133 ? 0.43898 0.50693 0.45339 -0.02823 0.03280  -0.04074 140 SER A CB  
963  O OG  . SER A 133 ? 0.54684 0.58377 0.56567 -0.02492 0.04341  -0.03144 140 SER A OG  
964  N N   . ALA A 134 ? 0.41365 0.45054 0.43710 -0.00495 0.02246  0.00875  141 ALA A N   
965  C CA  . ALA A 134 ? 0.44190 0.46368 0.46249 0.00223  0.02097  0.02713  141 ALA A CA  
966  C C   . ALA A 134 ? 0.45686 0.48833 0.47070 0.01357  0.01201  0.03918  141 ALA A C   
967  O O   . ALA A 134 ? 0.52984 0.55033 0.53580 0.01857  0.01295  0.05670  141 ALA A O   
968  C CB  . ALA A 134 ? 0.43056 0.43135 0.46471 0.00174  0.02220  0.02862  141 ALA A CB  
969  N N   . TYR A 135 ? 0.47889 0.53167 0.49804 0.01847  0.00449  0.03198  142 TYR A N   
970  C CA  . TYR A 135 ? 0.49370 0.55936 0.50963 0.03474  -0.00468 0.04507  142 TYR A CA  
971  C C   . TYR A 135 ? 0.46892 0.56486 0.46451 0.03991  -0.01008 0.05255  142 TYR A C   
972  O O   . TYR A 135 ? 0.54608 0.65765 0.53650 0.05715  -0.01866 0.06796  142 TYR A O   
973  C CB  . TYR A 135 ? 0.37902 0.46566 0.41240 0.04019  -0.01038 0.03438  142 TYR A CB  
974  C CG  . TYR A 135 ? 0.44094 0.49938 0.48773 0.04073  -0.00513 0.03164  142 TYR A CG  
975  C CD1 . TYR A 135 ? 0.46752 0.50355 0.51777 0.05573  -0.00649 0.04215  142 TYR A CD1 
976  C CD2 . TYR A 135 ? 0.45920 0.51141 0.51306 0.02686  0.00215  0.01875  142 TYR A CD2 
977  C CE1 . TYR A 135 ? 0.45332 0.46713 0.51251 0.05543  -0.00197 0.03445  142 TYR A CE1 
978  C CE2 . TYR A 135 ? 0.48049 0.51410 0.54089 0.02832  0.00611  0.01644  142 TYR A CE2 
979  C CZ  . TYR A 135 ? 0.52884 0.54579 0.59111 0.04179  0.00348  0.02169  142 TYR A CZ  
980  O OH  . TYR A 135 ? 0.52466 0.52704 0.59053 0.04249  0.00706  0.01411  142 TYR A OH  
981  N N   . LEU A 136 ? 0.48842 0.59444 0.47106 0.02776  -0.00484 0.04231  143 LEU A N   
982  C CA  . LEU A 136 ? 0.48193 0.61570 0.43807 0.03286  -0.00765 0.05087  143 LEU A CA  
983  C C   . LEU A 136 ? 0.54004 0.64927 0.48319 0.04210  -0.00189 0.08234  143 LEU A C   
984  O O   . LEU A 136 ? 0.56500 0.69538 0.48543 0.05406  -0.00586 0.10179  143 LEU A O   
985  C CB  . LEU A 136 ? 0.56920 0.71508 0.51472 0.01775  0.00005  0.02836  143 LEU A CB  
986  C CG  . LEU A 136 ? 0.49365 0.66826 0.44689 0.00562  -0.00450 -0.00441 143 LEU A CG  
987  C CD1 . LEU A 136 ? 0.47368 0.63818 0.42193 -0.00855 0.00857  -0.02693 143 LEU A CD1 
988  C CD2 . LEU A 136 ? 0.45820 0.68892 0.39620 0.01276  -0.02003 -0.00756 143 LEU A CD2 
989  N N   . VAL A 137 ? 0.47480 0.54211 0.43227 0.03582  0.00775  0.08839  144 VAL A N   
990  C CA  . VAL A 137 ? 0.50573 0.54688 0.45704 0.03783  0.01640  0.11549  144 VAL A CA  
991  C C   . VAL A 137 ? 0.52278 0.52174 0.49501 0.04068  0.01702  0.12492  144 VAL A C   
992  O O   . VAL A 137 ? 0.57252 0.54475 0.54288 0.04331  0.02349  0.14934  144 VAL A O   
993  C CB  . VAL A 137 ? 0.55605 0.59453 0.50516 0.02293  0.03041  0.11131  144 VAL A CB  
994  C CG1 . VAL A 137 ? 0.55456 0.63236 0.47785 0.02242  0.03259  0.10255  144 VAL A CG1 
995  C CG2 . VAL A 137 ? 0.45104 0.47439 0.42444 0.01169  0.03315  0.08962  144 VAL A CG2 
996  N N   . ALA A 138 ? 0.49631 0.48667 0.48796 0.03943  0.01218  0.10619  145 ALA A N   
997  C CA  . ALA A 138 ? 0.54471 0.49736 0.55450 0.04039  0.01343  0.10735  145 ALA A CA  
998  C C   . ALA A 138 ? 0.54013 0.49303 0.55588 0.05953  0.00502  0.10799  145 ALA A C   
999  O O   . ALA A 138 ? 0.62476 0.61125 0.64186 0.06498  -0.00240 0.09516  145 ALA A O   
1000 C CB  . ALA A 138 ? 0.42998 0.37675 0.45484 0.02637  0.01556  0.08560  145 ALA A CB  
1001 N N   . GLU A 139 ? 0.50922 0.42449 0.53178 0.06943  0.00765  0.12207  146 GLU A N   
1002 C CA  . GLU A 139 ? 0.57303 0.48291 0.60637 0.09046  0.00216  0.11991  146 GLU A CA  
1003 C C   . GLU A 139 ? 0.60594 0.50608 0.65587 0.08452  0.00288  0.09265  146 GLU A C   
1004 O O   . GLU A 139 ? 0.59993 0.51069 0.65945 0.10058  -0.00084 0.08358  146 GLU A O   
1005 C CB  . GLU A 139 ? 0.63074 0.49627 0.66565 0.10629  0.00707  0.14558  146 GLU A CB  
1006 C CG  . GLU A 139 ? 0.79165 0.60124 0.84040 0.09107  0.01740  0.13974  146 GLU A CG  
1007 C CD  . GLU A 139 ? 0.92262 0.68275 0.97104 0.09709  0.02717  0.17057  146 GLU A CD  
1008 O OE1 . GLU A 139 ? 0.93828 0.70835 0.97210 0.11747  0.02553  0.20082  146 GLU A OE1 
1009 O OE2 . GLU A 139 ? 0.97679 0.68932 1.03987 0.08071  0.03676  0.16505  146 GLU A OE2 
1010 N N   . LYS A 140 ? 0.54407 0.43075 0.59708 0.06330  0.00765  0.08005  147 LYS A N   
1011 C CA  . LYS A 140 ? 0.54590 0.42752 0.60895 0.05734  0.00795  0.05588  147 LYS A CA  
1012 C C   . LYS A 140 ? 0.55551 0.44801 0.61678 0.03622  0.00970  0.04724  147 LYS A C   
1013 O O   . LYS A 140 ? 0.59558 0.48030 0.65546 0.02456  0.01343  0.05758  147 LYS A O   
1014 C CB  . LYS A 140 ? 0.56629 0.40264 0.63987 0.06073  0.01177  0.05063  147 LYS A CB  
1015 C CG  . LYS A 140 ? 0.62471 0.45904 0.70387 0.05269  0.01174  0.02291  147 LYS A CG  
1016 C CD  . LYS A 140 ? 0.60508 0.39374 0.69468 0.05823  0.01585  0.01277  147 LYS A CD  
1017 C CE  . LYS A 140 ? 0.72743 0.49938 0.82288 0.03454  0.01684  -0.00527 147 LYS A CE  
1018 N NZ  . LYS A 140 ? 0.77755 0.49583 0.88594 0.03502  0.02264  -0.01671 147 LYS A NZ  
1019 N N   . VAL A 141 ? 0.47252 0.38501 0.53464 0.03303  0.00830  0.03066  148 VAL A N   
1020 C CA  . VAL A 141 ? 0.42877 0.35362 0.48969 0.01857  0.00964  0.02528  148 VAL A CA  
1021 C C   . VAL A 141 ? 0.54015 0.46376 0.60362 0.01579  0.00820  0.00869  148 VAL A C   
1022 O O   . VAL A 141 ? 0.51250 0.44325 0.57424 0.02479  0.00807  -0.00143 148 VAL A O   
1023 C CB  . VAL A 141 ? 0.45556 0.40785 0.51138 0.01747  0.01093  0.02563  148 VAL A CB  
1024 C CG1 . VAL A 141 ? 0.42763 0.38638 0.48385 0.00732  0.01394  0.02355  148 VAL A CG1 
1025 C CG2 . VAL A 141 ? 0.49531 0.45609 0.54501 0.02001  0.01077  0.03670  148 VAL A CG2 
1026 N N   . THR A 142 ? 0.55588 0.47708 0.62350 0.00363  0.00714  0.00514  149 THR A N   
1027 C CA  . THR A 142 ? 0.45201 0.38283 0.51858 -0.00011 0.00338  -0.01120 149 THR A CA  
1028 C C   . THR A 142 ? 0.50437 0.46175 0.56876 -0.00477 0.00256  -0.00588 149 THR A C   
1029 O O   . THR A 142 ? 0.49976 0.46055 0.57187 -0.01140 0.00398  0.00383  149 THR A O   
1030 C CB  . THR A 142 ? 0.56221 0.47296 0.63927 -0.01065 0.00068  -0.02344 149 THR A CB  
1031 O OG1 . THR A 142 ? 0.54832 0.42401 0.62966 -0.00399 0.00418  -0.02367 149 THR A OG1 
1032 C CG2 . THR A 142 ? 0.48172 0.40907 0.55359 -0.01333 -0.00522 -0.04602 149 THR A CG2 
1033 N N   . VAL A 143 ? 0.51307 0.48964 0.56714 0.00061  0.00193  -0.01034 150 VAL A N   
1034 C CA  . VAL A 143 ? 0.41287 0.41115 0.46386 0.00116  0.00232  -0.00103 150 VAL A CA  
1035 C C   . VAL A 143 ? 0.47815 0.49884 0.52169 0.00132  -0.00520 -0.01119 150 VAL A C   
1036 O O   . VAL A 143 ? 0.48996 0.51735 0.51964 0.00653  -0.00510 -0.02102 150 VAL A O   
1037 C CB  . VAL A 143 ? 0.47199 0.47321 0.51571 0.00758  0.01076  0.00914  150 VAL A CB  
1038 C CG1 . VAL A 143 ? 0.41043 0.42552 0.45129 0.01106  0.01322  0.02158  150 VAL A CG1 
1039 C CG2 . VAL A 143 ? 0.48094 0.46856 0.53117 0.00577  0.01571  0.01444  150 VAL A CG2 
1040 N N   . ILE A 144 ? 0.46176 0.50050 0.51460 -0.00385 -0.01179 -0.00994 151 ILE A N   
1041 C CA  . ILE A 144 ? 0.51430 0.58705 0.56006 -0.00299 -0.02194 -0.01829 151 ILE A CA  
1042 C C   . ILE A 144 ? 0.52222 0.61821 0.56349 0.00898  -0.02044 0.00361  151 ILE A C   
1043 O O   . ILE A 144 ? 0.48660 0.58103 0.54351 0.01020  -0.01684 0.01696  151 ILE A O   
1044 C CB  . ILE A 144 ? 0.54693 0.63157 0.61180 -0.01807 -0.03200 -0.03414 151 ILE A CB  
1045 C CG1 . ILE A 144 ? 0.47959 0.52563 0.55419 -0.03003 -0.02877 -0.04937 151 ILE A CG1 
1046 C CG2 . ILE A 144 ? 0.54437 0.67111 0.59945 -0.01853 -0.04548 -0.05003 151 ILE A CG2 
1047 C CD1 . ILE A 144 ? 0.55233 0.58906 0.61310 -0.02924 -0.03127 -0.07384 151 ILE A CD1 
1048 N N   . THR A 145 ? 0.41195 0.52845 0.43139 0.01951  -0.02138 0.00860  152 THR A N   
1049 C CA  . THR A 145 ? 0.48716 0.61702 0.50079 0.03400  -0.01697 0.03491  152 THR A CA  
1050 C C   . THR A 145 ? 0.57132 0.74560 0.56409 0.04393  -0.02730 0.03750  152 THR A C   
1051 O O   . THR A 145 ? 0.59481 0.78475 0.56993 0.03997  -0.03342 0.01778  152 THR A O   
1052 C CB  . THR A 145 ? 0.53390 0.63298 0.53993 0.03847  0.00017  0.05021  152 THR A CB  
1053 O OG1 . THR A 145 ? 0.58523 0.68556 0.58986 0.05185  0.00739  0.07705  152 THR A OG1 
1054 C CG2 . THR A 145 ? 0.50624 0.60877 0.49051 0.03852  0.00438  0.04258  152 THR A CG2 
1055 N N   . LYS A 146 ? 0.52951 0.72616 0.52380 0.05895  -0.02918 0.06162  153 LYS A N   
1056 C CA  . LYS A 146 ? 0.47292 0.71931 0.44497 0.07309  -0.04017 0.07114  153 LYS A CA  
1057 C C   . LYS A 146 ? 0.55719 0.79858 0.52395 0.09541  -0.02949 0.11121  153 LYS A C   
1058 O O   . LYS A 146 ? 0.57516 0.81391 0.56580 0.10448  -0.02851 0.12551  153 LYS A O   
1059 C CB  . LYS A 146 ? 0.55764 0.85517 0.54470 0.06864  -0.06177 0.05403  153 LYS A CB  
1060 C CG  . LYS A 146 ? 0.60209 0.96368 0.56742 0.08649  -0.07671 0.06617  153 LYS A CG  
1061 C CD  . LYS A 146 ? 0.58754 0.96787 0.51225 0.08535  -0.07965 0.05192  153 LYS A CD  
1062 C CE  . LYS A 146 ? 0.56267 1.01729 0.46140 0.10277  -0.09750 0.06165  153 LYS A CE  
1063 N NZ  . LYS A 146 ? 0.57848 1.03779 0.46449 0.13237  -0.08900 0.11279  153 LYS A NZ  
1064 N N   . HIS A 147 ? 0.62327 0.86130 0.56012 0.10459  -0.01919 0.12963  154 HIS A N   
1065 C CA  . HIS A 147 ? 0.58807 0.81739 0.51576 0.12625  -0.00678 0.17155  154 HIS A CA  
1066 C C   . HIS A 147 ? 0.61146 0.90301 0.51267 0.14684  -0.02179 0.18886  154 HIS A C   
1067 O O   . HIS A 147 ? 0.67280 1.01030 0.55365 0.14076  -0.03763 0.16534  154 HIS A O   
1068 C CB  . HIS A 147 ? 0.62320 0.81027 0.53631 0.12093  0.01704  0.18474  154 HIS A CB  
1069 C CG  . HIS A 147 ? 0.60258 0.76059 0.51388 0.13786  0.03583  0.22762  154 HIS A CG  
1070 N ND1 . HIS A 147 ? 0.62677 0.81117 0.50900 0.15959  0.03774  0.26325  154 HIS A ND1 
1071 C CD2 . HIS A 147 ? 0.59754 0.69942 0.53217 0.13622  0.05475  0.24035  154 HIS A CD2 
1072 C CE1 . HIS A 147 ? 0.65760 0.79719 0.54754 0.17116  0.05852  0.29921  154 HIS A CE1 
1073 N NE2 . HIS A 147 ? 0.68175 0.76981 0.60451 0.15616  0.06919  0.28315  154 HIS A NE2 
1074 N N   . ASN A 148 ? 0.62208 0.91590 0.52362 0.17272  -0.01697 0.22938  155 ASN A N   
1075 C CA  . ASN A 148 ? 0.65422 1.01407 0.53055 0.19748  -0.03305 0.25176  155 ASN A CA  
1076 C C   . ASN A 148 ? 0.67268 1.05609 0.49975 0.19834  -0.02964 0.25799  155 ASN A C   
1077 O O   . ASN A 148 ? 0.76903 1.22238 0.56843 0.20655  -0.04993 0.25161  155 ASN A O   
1078 C CB  . ASN A 148 ? 0.67183 1.01931 0.55758 0.22982  -0.02403 0.30086  155 ASN A CB  
1079 C CG  . ASN A 148 ? 0.69136 1.05846 0.61942 0.23962  -0.03697 0.29516  155 ASN A CG  
1080 O OD1 . ASN A 148 ? 0.67869 1.09266 0.62310 0.22567  -0.05847 0.26040  155 ASN A OD1 
1081 N ND2 . ASN A 148 ? 0.80704 1.13785 0.75528 0.26349  -0.02191 0.32889  155 ASN A ND2 
1082 N N   . ASP A 149 ? 0.69655 1.02809 0.51260 0.18900  -0.00385 0.26836  156 ASP A N   
1083 C CA  . ASP A 149 ? 0.75432 1.10571 0.52482 0.19137  0.00618  0.28092  156 ASP A CA  
1084 C C   . ASP A 149 ? 0.77137 1.13702 0.52991 0.16761  0.00217  0.23293  156 ASP A C   
1085 O O   . ASP A 149 ? 0.78429 1.16415 0.50783 0.16718  0.01446  0.23784  156 ASP A O   
1086 C CB  . ASP A 149 ? 0.81008 1.10137 0.57903 0.19304  0.03963  0.32054  156 ASP A CB  
1087 C CG  . ASP A 149 ? 0.93047 1.20202 0.70543 0.22099  0.04773  0.37302  156 ASP A CG  
1088 O OD1 . ASP A 149 ? 0.93345 1.25184 0.70671 0.24386  0.02637  0.38295  156 ASP A OD1 
1089 O OD2 . ASP A 149 ? 1.00461 1.21321 0.79010 0.21936  0.07599  0.40188  156 ASP A OD2 
1090 N N   . ASP A 150 ? 0.73962 1.10107 0.52654 0.14924  -0.01258 0.18831  157 ASP A N   
1091 C CA  . ASP A 150 ? 0.68610 1.04726 0.46776 0.12884  -0.01330 0.14370  157 ASP A CA  
1092 C C   . ASP A 150 ? 0.70362 1.08903 0.50386 0.11671  -0.03860 0.10033  157 ASP A C   
1093 O O   . ASP A 150 ? 0.69531 1.10209 0.51485 0.12199  -0.05481 0.10492  157 ASP A O   
1094 C CB  . ASP A 150 ? 0.67985 0.97750 0.48602 0.11304  0.00862  0.13921  157 ASP A CB  
1095 C CG  . ASP A 150 ? 0.75298 1.05444 0.54372 0.10201  0.01698  0.11042  157 ASP A CG  
1096 O OD1 . ASP A 150 ? 0.72267 1.06580 0.49042 0.10217  0.00360  0.08135  157 ASP A OD1 
1097 O OD2 . ASP A 150 ? 0.78353 1.04896 0.58699 0.09344  0.03716  0.11472  157 ASP A OD2 
1098 N N   . GLU A 151 ? 0.72585 1.10756 0.52305 0.10030  -0.04024 0.05795  158 GLU A N   
1099 C CA  . GLU A 151 ? 0.66132 1.05368 0.47845 0.08398  -0.05970 0.01372  158 GLU A CA  
1100 C C   . GLU A 151 ? 0.66039 0.99503 0.52237 0.06902  -0.05424 0.00619  158 GLU A C   
1101 O O   . GLU A 151 ? 0.66342 0.95611 0.53980 0.07184  -0.03813 0.03202  158 GLU A O   
1102 C CB  . GLU A 151 ? 0.73588 1.14382 0.52887 0.07549  -0.06153 -0.02895 158 GLU A CB  
1103 C CG  . GLU A 151 ? 0.82859 1.31020 0.58435 0.08211  -0.07980 -0.04485 158 GLU A CG  
1104 C CD  . GLU A 151 ? 1.03643 1.55597 0.75015 0.10577  -0.07263 -0.00120 158 GLU A CD  
1105 O OE1 . GLU A 151 ? 1.21016 1.70831 0.90455 0.11130  -0.04929 0.01577  158 GLU A OE1 
1106 O OE2 . GLU A 151 ? 1.13741 1.71028 0.83907 0.11929  -0.08962 0.01818  158 GLU A OE2 
1107 N N   . GLN A 152 ? 0.62388 0.95676 0.50724 0.05169  -0.06704 -0.03052 159 GLN A N   
1108 C CA  . GLN A 152 ? 0.62437 0.90708 0.54617 0.03732  -0.06217 -0.03756 159 GLN A CA  
1109 C C   . GLN A 152 ? 0.57019 0.81009 0.49132 0.02951  -0.05013 -0.05935 159 GLN A C   
1110 O O   . GLN A 152 ? 0.64191 0.89214 0.54841 0.02503  -0.05413 -0.09176 159 GLN A O   
1111 C CB  . GLN A 152 ? 0.50113 0.80330 0.45053 0.02166  -0.07972 -0.06051 159 GLN A CB  
1112 C CG  . GLN A 152 ? 0.50264 0.76332 0.49071 0.01016  -0.07364 -0.05513 159 GLN A CG  
1113 C CD  . GLN A 152 ? 0.59417 0.88610 0.61272 -0.00396 -0.08853 -0.06788 159 GLN A CD  
1114 O OE1 . GLN A 152 ? 0.59828 0.93496 0.62412 0.00596  -0.09739 -0.05040 159 GLN A OE1 
1115 N NE2 . GLN A 152 ? 0.55026 0.81957 0.58953 -0.02684 -0.09023 -0.09742 159 GLN A NE2 
1116 N N   . TYR A 153 ? 0.51399 0.70874 0.45170 0.02923  -0.03577 -0.04338 160 TYR A N   
1117 C CA  . TYR A 153 ? 0.58047 0.74080 0.51995 0.02690  -0.02423 -0.05767 160 TYR A CA  
1118 C C   . TYR A 153 ? 0.55768 0.67506 0.52845 0.01722  -0.02216 -0.05885 160 TYR A C   
1119 O O   . TYR A 153 ? 0.50264 0.61460 0.49126 0.01329  -0.02456 -0.04304 160 TYR A O   
1120 C CB  . TYR A 153 ? 0.54154 0.69990 0.46631 0.03753  -0.00730 -0.03569 160 TYR A CB  
1121 C CG  . TYR A 153 ? 0.59432 0.79284 0.48357 0.04733  -0.00467 -0.03546 160 TYR A CG  
1122 C CD1 . TYR A 153 ? 0.69061 0.90136 0.56310 0.04872  -0.00310 -0.06608 160 TYR A CD1 
1123 C CD2 . TYR A 153 ? 0.64742 0.87179 0.51833 0.05714  -0.00257 -0.00380 160 TYR A CD2 
1124 C CE1 . TYR A 153 ? 0.71341 0.96658 0.54881 0.05820  0.00077  -0.06649 160 TYR A CE1 
1125 C CE2 . TYR A 153 ? 0.75141 1.01602 0.58503 0.06730  0.00086  0.00095  160 TYR A CE2 
1126 C CZ  . TYR A 153 ? 0.84730 1.12919 0.66171 0.06703  0.00245  -0.03129 160 TYR A CZ  
1127 O OH  . TYR A 153 ? 0.97700 1.30439 0.74989 0.07763  0.00727  -0.02719 160 TYR A OH  
1128 N N   . ALA A 154 ? 0.59968 0.68874 0.57590 0.01584  -0.01667 -0.07672 161 ALA A N   
1129 C CA  . ALA A 154 ? 0.53410 0.58297 0.53487 0.01001  -0.01375 -0.07503 161 ALA A CA  
1130 C C   . ALA A 154 ? 0.53367 0.56663 0.53501 0.01978  -0.00170 -0.06714 161 ALA A C   
1131 O O   . ALA A 154 ? 0.53706 0.57126 0.53054 0.02768  0.00321  -0.08307 161 ALA A O   
1132 C CB  . ALA A 154 ? 0.51010 0.53695 0.52260 0.00010  -0.01948 -0.10279 161 ALA A CB  
1133 N N   . TRP A 155 ? 0.51137 0.53441 0.52334 0.01934  0.00303  -0.04518 162 TRP A N   
1134 C CA  . TRP A 155 ? 0.46491 0.47955 0.48306 0.02558  0.01178  -0.03842 162 TRP A CA  
1135 C C   . TRP A 155 ? 0.51028 0.49609 0.54460 0.02479  0.00940  -0.03846 162 TRP A C   
1136 O O   . TRP A 155 ? 0.55116 0.52461 0.59309 0.01647  0.00536  -0.03116 162 TRP A O   
1137 C CB  . TRP A 155 ? 0.47933 0.50367 0.49779 0.02362  0.01858  -0.01734 162 TRP A CB  
1138 C CG  . TRP A 155 ? 0.53957 0.56419 0.56794 0.02546  0.02623  -0.01283 162 TRP A CG  
1139 C CD1 . TRP A 155 ? 0.51068 0.55480 0.53760 0.02777  0.03620  -0.01171 162 TRP A CD1 
1140 C CD2 . TRP A 155 ? 0.49733 0.50966 0.53928 0.02388  0.02433  -0.00882 162 TRP A CD2 
1141 N NE1 . TRP A 155 ? 0.50839 0.55566 0.55129 0.02640  0.03918  -0.01001 162 TRP A NE1 
1142 C CE2 . TRP A 155 ? 0.48492 0.51396 0.53473 0.02525  0.03091  -0.00831 162 TRP A CE2 
1143 C CE3 . TRP A 155 ? 0.49812 0.49192 0.54565 0.02105  0.01827  -0.00506 162 TRP A CE3 
1144 C CZ2 . TRP A 155 ? 0.46599 0.49754 0.52764 0.02496  0.02856  -0.00625 162 TRP A CZ2 
1145 C CZ3 . TRP A 155 ? 0.47527 0.46824 0.53014 0.02219  0.01789  -0.00001 162 TRP A CZ3 
1146 C CH2 . TRP A 155 ? 0.52188 0.53535 0.58304 0.02466  0.02151  -0.00164 162 TRP A CH2 
1147 N N   . GLU A 156 ? 0.54800 0.52623 0.58780 0.03523  0.01289  -0.04452 163 GLU A N   
1148 C CA  . GLU A 156 ? 0.49286 0.44363 0.54526 0.03916  0.01107  -0.04008 163 GLU A CA  
1149 C C   . GLU A 156 ? 0.60705 0.56907 0.66669 0.05322  0.01471  -0.03503 163 GLU A C   
1150 O O   . GLU A 156 ? 0.51786 0.50010 0.57713 0.06237  0.01974  -0.04499 163 GLU A O   
1151 C CB  . GLU A 156 ? 0.50240 0.42277 0.55873 0.04031  0.00927  -0.05715 163 GLU A CB  
1152 C CG  . GLU A 156 ? 0.56091 0.44452 0.62946 0.04093  0.00900  -0.04599 163 GLU A CG  
1153 C CD  . GLU A 156 ? 0.75009 0.59862 0.82567 0.03116  0.00842  -0.06179 163 GLU A CD  
1154 O OE1 . GLU A 156 ? 0.66188 0.48765 0.74088 0.04134  0.01173  -0.08030 163 GLU A OE1 
1155 O OE2 . GLU A 156 ? 0.77086 0.61550 0.85124 0.01270  0.00568  -0.05772 163 GLU A OE2 
1156 N N   . SER A 157 ? 0.52031 0.47568 0.58666 0.05528  0.01216  -0.01973 164 SER A N   
1157 C CA  . SER A 157 ? 0.54998 0.52287 0.62555 0.07018  0.01217  -0.01465 164 SER A CA  
1158 C C   . SER A 157 ? 0.56187 0.51847 0.63956 0.07587  0.00739  0.00256  164 SER A C   
1159 O O   . SER A 157 ? 0.55301 0.50497 0.62398 0.06342  0.00579  0.01339  164 SER A O   
1160 C CB  . SER A 157 ? 0.53200 0.54433 0.60983 0.06334  0.01464  -0.01284 164 SER A CB  
1161 O OG  . SER A 157 ? 0.51956 0.55967 0.61083 0.07670  0.01315  -0.01162 164 SER A OG  
1162 N N   . SER A 158 ? 0.55194 0.50212 0.63824 0.09704  0.00627  0.00654  165 SER A N   
1163 C CA  . SER A 158 ? 0.51142 0.45808 0.59761 0.10855  0.00146  0.02819  165 SER A CA  
1164 C C   . SER A 158 ? 0.48567 0.48483 0.57837 0.11933  -0.00434 0.03203  165 SER A C   
1165 O O   . SER A 158 ? 0.49229 0.49999 0.58892 0.14036  -0.00971 0.04711  165 SER A O   
1166 C CB  . SER A 158 ? 0.53492 0.43781 0.62761 0.12817  0.00395  0.03526  165 SER A CB  
1167 O OG  . SER A 158 ? 0.60119 0.45820 0.69287 0.11468  0.00953  0.02460  165 SER A OG  
1168 N N   . ALA A 159 ? 0.48835 0.52414 0.58375 0.10500  -0.00318 0.01937  166 ALA A N   
1169 C CA  . ALA A 159 ? 0.53044 0.62235 0.63850 0.10864  -0.00753 0.01614  166 ALA A CA  
1170 C C   . ALA A 159 ? 0.52559 0.63549 0.65275 0.13432  -0.00665 0.01154  166 ALA A C   
1171 O O   . ALA A 159 ? 0.55299 0.63898 0.68236 0.14031  0.00142  0.00082  166 ALA A O   
1172 C CB  . ALA A 159 ? 0.46121 0.57372 0.56132 0.10849  -0.01721 0.02938  166 ALA A CB  
1173 N N   . GLY A 160 ? 0.43159 0.58782 0.57325 0.15112  -0.01487 0.01744  167 GLY A N   
1174 C CA  . GLY A 160 ? 0.43192 0.61365 0.59664 0.17874  -0.01342 0.01309  167 GLY A CA  
1175 C C   . GLY A 160 ? 0.41271 0.63265 0.59531 0.17017  -0.00332 -0.00772 167 GLY A C   
1176 O O   . GLY A 160 ? 0.42962 0.66988 0.63195 0.19377  0.00151  -0.01453 167 GLY A O   
1177 N N   . GLY A 161 ? 0.38592 0.61494 0.56271 0.13866  0.00218  -0.01657 168 GLY A N   
1178 C CA  . GLY A 161 ? 0.41512 0.68294 0.60825 0.12722  0.01410  -0.03115 168 GLY A CA  
1179 C C   . GLY A 161 ? 0.48007 0.71620 0.65889 0.12137  0.02840  -0.04008 168 GLY A C   
1180 O O   . GLY A 161 ? 0.42044 0.68900 0.60903 0.11212  0.04102  -0.04879 168 GLY A O   
1181 N N   . SER A 162 ? 0.38853 0.56718 0.54467 0.12509  0.02722  -0.03830 169 SER A N   
1182 C CA  . SER A 162 ? 0.45691 0.61316 0.59740 0.12118  0.03792  -0.04988 169 SER A CA  
1183 C C   . SER A 162 ? 0.49411 0.60019 0.60991 0.10640  0.03349  -0.04532 169 SER A C   
1184 O O   . SER A 162 ? 0.45225 0.53142 0.56419 0.10538  0.02412  -0.03421 169 SER A O   
1185 C CB  . SER A 162 ? 0.43623 0.58472 0.58279 0.14882  0.04307  -0.06366 169 SER A CB  
1186 O OG  . SER A 162 ? 0.60158 0.70442 0.74683 0.16483  0.03465  -0.05796 169 SER A OG  
1187 N N   . PHE A 163 ? 0.46318 0.56324 0.56240 0.09556  0.04078  -0.05297 170 PHE A N   
1188 C CA  . PHE A 163 ? 0.49047 0.55378 0.56953 0.08341  0.03629  -0.05166 170 PHE A CA  
1189 C C   . PHE A 163 ? 0.54345 0.60414 0.60672 0.08660  0.04193  -0.06921 170 PHE A C   
1190 O O   . PHE A 163 ? 0.53060 0.62031 0.59449 0.09526  0.05203  -0.07964 170 PHE A O   
1191 C CB  . PHE A 163 ? 0.45126 0.51870 0.52340 0.06254  0.03620  -0.03783 170 PHE A CB  
1192 C CG  . PHE A 163 ? 0.50252 0.59909 0.57090 0.05372  0.04804  -0.03603 170 PHE A CG  
1193 C CD1 . PHE A 163 ? 0.53476 0.66439 0.62121 0.04938  0.05540  -0.03302 170 PHE A CD1 
1194 C CD2 . PHE A 163 ? 0.46133 0.55497 0.50878 0.04885  0.05211  -0.03578 170 PHE A CD2 
1195 C CE1 . PHE A 163 ? 0.52620 0.67841 0.61122 0.03840  0.06972  -0.02820 170 PHE A CE1 
1196 C CE2 . PHE A 163 ? 0.45352 0.57124 0.49477 0.04196  0.06519  -0.02798 170 PHE A CE2 
1197 C CZ  . PHE A 163 ? 0.51194 0.65533 0.57262 0.03567  0.07555  -0.02328 170 PHE A CZ  
1198 N N   . THR A 164 ? 0.51557 0.54679 0.56498 0.07890  0.03552  -0.07414 171 THR A N   
1199 C CA  . THR A 164 ? 0.51520 0.54678 0.54710 0.08004  0.03752  -0.09519 171 THR A CA  
1200 C C   . THR A 164 ? 0.56368 0.60234 0.57687 0.06388  0.03280  -0.08859 171 THR A C   
1201 O O   . THR A 164 ? 0.54225 0.56926 0.55962 0.05285  0.02653  -0.07192 171 THR A O   
1202 C CB  . THR A 164 ? 0.52731 0.51930 0.56408 0.08723  0.03336  -0.11539 171 THR A CB  
1203 O OG1 . THR A 164 ? 0.53226 0.49243 0.57292 0.07329  0.02385  -0.10620 171 THR A OG1 
1204 C CG2 . THR A 164 ? 0.52808 0.50906 0.58526 0.10893  0.03805  -0.11706 171 THR A CG2 
1205 N N   . VAL A 165 ? 0.54925 0.61158 0.54091 0.06505  0.03627  -0.10154 172 VAL A N   
1206 C CA  . VAL A 165 ? 0.61213 0.69018 0.58331 0.05498  0.03068  -0.09493 172 VAL A CA  
1207 C C   . VAL A 165 ? 0.56383 0.65034 0.51588 0.05656  0.02554  -0.12509 172 VAL A C   
1208 O O   . VAL A 165 ? 0.64733 0.74608 0.59017 0.06740  0.03384  -0.14628 172 VAL A O   
1209 C CB  . VAL A 165 ? 0.56280 0.67305 0.52095 0.05457  0.04148  -0.07244 172 VAL A CB  
1210 C CG1 . VAL A 165 ? 0.51948 0.64906 0.45322 0.05068  0.03546  -0.06363 172 VAL A CG1 
1211 C CG2 . VAL A 165 ? 0.48525 0.58460 0.46422 0.04845  0.04590  -0.04813 172 VAL A CG2 
1212 N N   . ARG A 166 ? 0.56332 0.64761 0.51108 0.04547  0.01213  -0.12987 173 ARG A N   
1213 C CA  . ARG A 166 ? 0.66268 0.76127 0.59299 0.04261  0.00430  -0.16255 173 ARG A CA  
1214 C C   . ARG A 166 ? 0.64116 0.76727 0.56172 0.03218  -0.00988 -0.15395 173 ARG A C   
1215 O O   . ARG A 166 ? 0.56862 0.68729 0.50457 0.02622  -0.01408 -0.12799 173 ARG A O   
1216 C CB  . ARG A 166 ? 0.72168 0.77716 0.67152 0.03818  0.00112  -0.19317 173 ARG A CB  
1217 C CG  . ARG A 166 ? 0.72075 0.74569 0.69583 0.02201  -0.00860 -0.18425 173 ARG A CG  
1218 C CD  . ARG A 166 ? 0.75966 0.73046 0.75728 0.01953  -0.00582 -0.20460 173 ARG A CD  
1219 N NE  . ARG A 166 ? 0.89581 0.83654 0.90933 0.03328  0.00396  -0.18308 173 ARG A NE  
1220 C CZ  . ARG A 166 ? 0.98570 0.87905 1.01676 0.04070  0.00983  -0.19223 173 ARG A CZ  
1221 N NH1 . ARG A 166 ? 0.93209 0.79263 0.96949 0.03357  0.00948  -0.22466 173 ARG A NH1 
1222 N NH2 . ARG A 166 ? 0.93312 0.81200 0.97642 0.05612  0.01626  -0.16867 173 ARG A NH2 
1223 N N   . THR A 167 ? 0.61305 0.77637 0.50752 0.03184  -0.01733 -0.17723 174 THR A N   
1224 C CA  . THR A 167 ? 0.72478 0.92327 0.61258 0.02325  -0.03446 -0.17470 174 THR A CA  
1225 C C   . THR A 167 ? 0.67080 0.84134 0.59176 0.00469  -0.04573 -0.19060 174 THR A C   
1226 O O   . THR A 167 ? 0.83546 0.97627 0.76773 -0.00393 -0.04563 -0.22521 174 THR A O   
1227 C CB  . THR A 167 ? 0.70295 0.95383 0.55381 0.02647  -0.04209 -0.20182 174 THR A CB  
1228 O OG1 . THR A 167 ? 0.83939 1.07090 0.68788 0.02448  -0.03766 -0.24740 174 THR A OG1 
1229 C CG2 . THR A 167 ? 0.73691 1.02664 0.55194 0.04379  -0.03144 -0.17348 174 THR A CG2 
1230 N N   . ASP A 168 ? 0.56905 0.74726 0.50747 -0.00131 -0.05315 -0.16496 175 ASP A N   
1231 C CA  . ASP A 168 ? 0.68249 0.83993 0.65488 -0.02063 -0.06105 -0.17550 175 ASP A CA  
1232 C C   . ASP A 168 ? 0.75707 0.95771 0.72821 -0.03530 -0.07911 -0.20801 175 ASP A C   
1233 O O   . ASP A 168 ? 0.70631 0.96625 0.66018 -0.02919 -0.09103 -0.19977 175 ASP A O   
1234 C CB  . ASP A 168 ? 0.64393 0.79822 0.63714 -0.02056 -0.05996 -0.13809 175 ASP A CB  
1235 C CG  . ASP A 168 ? 0.74344 0.87856 0.77260 -0.04104 -0.06416 -0.14555 175 ASP A CG  
1236 O OD1 . ASP A 168 ? 0.78876 0.88134 0.83118 -0.05235 -0.05953 -0.16679 175 ASP A OD1 
1237 O OD2 . ASP A 168 ? 0.74679 0.90877 0.79238 -0.04496 -0.07029 -0.12882 175 ASP A OD2 
1238 N N   . THR A 169 ? 0.78318 0.95466 0.77368 -0.05461 -0.08111 -0.24487 176 THR A N   
1239 C CA  . THR A 169 ? 0.95367 1.16322 0.94886 -0.07480 -0.09818 -0.28470 176 THR A CA  
1240 C C   . THR A 169 ? 0.96467 1.17702 1.00288 -0.09934 -0.10606 -0.28280 176 THR A C   
1241 O O   . THR A 169 ? 0.89292 1.14058 0.94400 -0.12132 -0.12095 -0.31735 176 THR A O   
1242 C CB  . THR A 169 ? 1.09359 1.26819 1.08397 -0.08356 -0.09360 -0.33479 176 THR A CB  
1243 O OG1 . THR A 169 ? 1.04723 1.14142 1.06313 -0.08575 -0.07671 -0.32931 176 THR A OG1 
1244 C CG2 . THR A 169 ? 1.01820 1.21611 0.96287 -0.06096 -0.08884 -0.34571 176 THR A CG2 
1245 N N   . GLY A 170 ? 0.87749 1.05882 0.93869 -0.09736 -0.09600 -0.24543 177 GLY A N   
1246 C CA  . GLY A 170 ? 0.81333 0.99490 0.91665 -0.12042 -0.09854 -0.24118 177 GLY A CA  
1247 C C   . GLY A 170 ? 0.85187 1.10994 0.96428 -0.11956 -0.11401 -0.22693 177 GLY A C   
1248 O O   . GLY A 170 ? 0.86402 1.18468 0.95416 -0.11107 -0.12983 -0.23734 177 GLY A O   
1249 N N   . GLU A 171 ? 0.90675 1.16322 1.05154 -0.12598 -0.10885 -0.20157 178 GLU A N   
1250 C CA  . GLU A 171 ? 0.83157 1.16036 0.99504 -0.12421 -0.12162 -0.18764 178 GLU A CA  
1251 C C   . GLU A 171 ? 0.75023 1.11005 0.88201 -0.08908 -0.12403 -0.15483 178 GLU A C   
1252 O O   . GLU A 171 ? 0.74652 1.06307 0.86562 -0.07122 -0.10825 -0.12491 178 GLU A O   
1253 C CB  . GLU A 171 ? 0.86777 1.18192 1.07259 -0.13702 -0.11024 -0.16743 178 GLU A CB  
1254 C CG  . GLU A 171 ? 0.84327 1.23642 1.08213 -0.14338 -0.12311 -0.16435 178 GLU A CG  
1255 C CD  . GLU A 171 ? 0.95232 1.39278 1.21524 -0.17472 -0.14074 -0.20777 178 GLU A CD  
1256 O OE1 . GLU A 171 ? 0.89007 1.29135 1.18055 -0.20781 -0.13267 -0.23038 178 GLU A OE1 
1257 O OE2 . GLU A 171 ? 0.94423 1.46106 1.19799 -0.16648 -0.16250 -0.21929 178 GLU A OE2 
1258 N N   . PRO A 172 ? 0.68995 1.12338 0.80818 -0.07846 -0.14285 -0.15850 179 PRO A N   
1259 C CA  . PRO A 172 ? 0.67873 1.13713 0.76893 -0.04373 -0.14270 -0.12067 179 PRO A CA  
1260 C C   . PRO A 172 ? 0.70230 1.15552 0.81927 -0.03124 -0.13280 -0.08346 179 PRO A C   
1261 O O   . PRO A 172 ? 0.71451 1.19307 0.87254 -0.04520 -0.13625 -0.08707 179 PRO A O   
1262 C CB  . PRO A 172 ? 0.65359 1.20175 0.73065 -0.03731 -0.16758 -0.13276 179 PRO A CB  
1263 C CG  . PRO A 172 ? 0.73733 1.30738 0.83261 -0.07110 -0.18141 -0.18394 179 PRO A CG  
1264 C CD  . PRO A 172 ? 0.83733 1.33204 0.96240 -0.09827 -0.16478 -0.19938 179 PRO A CD  
1265 N N   . MET A 173 ? 0.66371 1.08488 0.75855 -0.00574 -0.11881 -0.04945 180 MET A N   
1266 C CA  . MET A 173 ? 0.60614 1.01005 0.72218 0.00733  -0.10564 -0.01801 180 MET A CA  
1267 C C   . MET A 173 ? 0.58130 1.03302 0.69527 0.03785  -0.11133 0.01293  180 MET A C   
1268 O O   . MET A 173 ? 0.63387 1.08909 0.77548 0.04809  -0.10415 0.03192  180 MET A O   
1269 C CB  . MET A 173 ? 0.60805 0.93743 0.70750 0.01285  -0.08392 -0.00308 180 MET A CB  
1270 C CG  . MET A 173 ? 0.75323 1.03073 0.86432 -0.01049 -0.07426 -0.02126 180 MET A CG  
1271 S SD  . MET A 173 ? 0.74987 0.95784 0.84382 -0.00107 -0.05246 -0.00261 180 MET A SD  
1272 C CE  . MET A 173 ? 0.46916 0.69000 0.53297 0.02612  -0.05012 0.02237  180 MET A CE  
1273 N N   . GLY A 174 ? 0.51804 1.00537 0.59895 0.05498  -0.12227 0.02020  181 GLY A N   
1274 C CA  . GLY A 174 ? 0.47569 0.99905 0.55029 0.08898  -0.12504 0.05721  181 GLY A CA  
1275 C C   . GLY A 174 ? 0.51661 0.97757 0.56808 0.10892  -0.10244 0.09048  181 GLY A C   
1276 O O   . GLY A 174 ? 0.67288 1.13712 0.68686 0.12505  -0.10111 0.10834  181 GLY A O   
1277 N N   . ARG A 175 ? 0.51510 0.92078 0.58848 0.10603  -0.08359 0.09783  182 ARG A N   
1278 C CA  . ARG A 175 ? 0.53416 0.87711 0.59217 0.11883  -0.06109 0.12287  182 ARG A CA  
1279 C C   . ARG A 175 ? 0.43884 0.72949 0.52146 0.10504  -0.04495 0.11421  182 ARG A C   
1280 O O   . ARG A 175 ? 0.49951 0.80796 0.61467 0.10274  -0.04659 0.10917  182 ARG A O   
1281 C CB  . ARG A 175 ? 0.54088 0.89638 0.59657 0.15388  -0.05679 0.16291  182 ARG A CB  
1282 C CG  . ARG A 175 ? 0.50242 0.79251 0.53962 0.16438  -0.03287 0.18857  182 ARG A CG  
1283 C CD  . ARG A 175 ? 0.53346 0.81869 0.58096 0.19837  -0.02368 0.22697  182 ARG A CD  
1284 N NE  . ARG A 175 ? 0.51589 0.79145 0.60336 0.20245  -0.01746 0.22164  182 ARG A NE  
1285 C CZ  . ARG A 175 ? 0.58934 0.91988 0.70442 0.22088  -0.02932 0.22746  182 ARG A CZ  
1286 N NH1 . ARG A 175 ? 0.59636 0.99916 0.70442 0.23701  -0.05099 0.23867  182 ARG A NH1 
1287 N NH2 . ARG A 175 ? 0.55708 0.87615 0.70789 0.22387  -0.01924 0.22100  182 ARG A NH2 
1288 N N   . GLY A 176 ? 0.49941 0.73270 0.56649 0.09611  -0.02945 0.11237  183 GLY A N   
1289 C CA  . GLY A 176 ? 0.48634 0.67401 0.57034 0.08554  -0.01466 0.10579  183 GLY A CA  
1290 C C   . GLY A 176 ? 0.50547 0.65950 0.57683 0.06418  -0.01102 0.08590  183 GLY A C   
1291 O O   . GLY A 176 ? 0.51295 0.66990 0.56171 0.06057  -0.01521 0.07975  183 GLY A O   
1292 N N   . THR A 177 ? 0.45292 0.57841 0.53853 0.05241  -0.00256 0.07659  184 THR A N   
1293 C CA  . THR A 177 ? 0.40678 0.50092 0.48348 0.03644  0.00134  0.06166  184 THR A CA  
1294 C C   . THR A 177 ? 0.46004 0.55168 0.55495 0.02170  0.00002  0.04894  184 THR A C   
1295 O O   . THR A 177 ? 0.49998 0.59933 0.61319 0.02386  0.00478  0.05407  184 THR A O   
1296 C CB  . THR A 177 ? 0.44266 0.49872 0.51129 0.03916  0.01696  0.06940  184 THR A CB  
1297 O OG1 . THR A 177 ? 0.44858 0.50411 0.50099 0.04974  0.02110  0.08382  184 THR A OG1 
1298 C CG2 . THR A 177 ? 0.38045 0.41440 0.44355 0.02541  0.01895  0.05486  184 THR A CG2 
1299 N N   . LYS A 178 ? 0.45571 0.53622 0.54588 0.00804  -0.00462 0.03363  185 LYS A N   
1300 C CA  . LYS A 178 ? 0.45033 0.52057 0.55505 -0.00674 -0.00362 0.02561  185 LYS A CA  
1301 C C   . LYS A 178 ? 0.46795 0.50232 0.56027 -0.00998 0.00226  0.02247  185 LYS A C   
1302 O O   . LYS A 178 ? 0.46204 0.48726 0.54243 -0.00984 -0.00150 0.01327  185 LYS A O   
1303 C CB  . LYS A 178 ? 0.43471 0.52550 0.55145 -0.02027 -0.01534 0.01018  185 LYS A CB  
1304 C CG  . LYS A 178 ? 0.54443 0.60986 0.67209 -0.03780 -0.01228 0.00170  185 LYS A CG  
1305 C CD  . LYS A 178 ? 0.53661 0.62105 0.68293 -0.05583 -0.02207 -0.01654 185 LYS A CD  
1306 C CE  . LYS A 178 ? 0.59428 0.73458 0.75745 -0.05448 -0.03116 -0.01621 185 LYS A CE  
1307 N NZ  . LYS A 178 ? 0.91038 1.07621 1.10083 -0.07794 -0.03969 -0.03550 185 LYS A NZ  
1308 N N   . VAL A 179 ? 0.42263 0.44225 0.51734 -0.01090 0.01135  0.02947  186 VAL A N   
1309 C CA  . VAL A 179 ? 0.44245 0.43739 0.52661 -0.01181 0.01515  0.02886  186 VAL A CA  
1310 C C   . VAL A 179 ? 0.48609 0.47013 0.57833 -0.02191 0.01610  0.03029  186 VAL A C   
1311 O O   . VAL A 179 ? 0.51388 0.50538 0.61472 -0.02653 0.02233  0.03774  186 VAL A O   
1312 C CB  . VAL A 179 ? 0.43222 0.42247 0.50958 -0.00619 0.02389  0.03432  186 VAL A CB  
1313 C CG1 . VAL A 179 ? 0.42878 0.40582 0.49586 -0.00608 0.02426  0.03256  186 VAL A CG1 
1314 C CG2 . VAL A 179 ? 0.38898 0.38308 0.46279 0.00161  0.02663  0.03614  186 VAL A CG2 
1315 N N   . ILE A 180 ? 0.45284 0.41776 0.54302 -0.02462 0.01218  0.02417  187 ILE A N   
1316 C CA  . ILE A 180 ? 0.45623 0.40033 0.55409 -0.03355 0.01538  0.02906  187 ILE A CA  
1317 C C   . ILE A 180 ? 0.52067 0.44680 0.60473 -0.02370 0.01887  0.03948  187 ILE A C   
1318 O O   . ILE A 180 ? 0.49447 0.41307 0.57050 -0.01338 0.01512  0.03384  187 ILE A O   
1319 C CB  . ILE A 180 ? 0.51673 0.44545 0.62449 -0.04239 0.01004  0.01421  187 ILE A CB  
1320 C CG1 . ILE A 180 ? 0.46773 0.42708 0.58774 -0.05171 0.00291  0.00115  187 ILE A CG1 
1321 C CG2 . ILE A 180 ? 0.50465 0.40287 0.62377 -0.05349 0.01680  0.02233  187 ILE A CG2 
1322 C CD1 . ILE A 180 ? 0.41564 0.36934 0.53764 -0.05771 -0.00523 -0.02226 187 ILE A CD1 
1323 N N   . LEU A 181 ? 0.48525 0.41112 0.56646 -0.02577 0.02607  0.05489  188 LEU A N   
1324 C CA  . LEU A 181 ? 0.47533 0.39389 0.54090 -0.01523 0.02770  0.06734  188 LEU A CA  
1325 C C   . LEU A 181 ? 0.52560 0.41365 0.59458 -0.01724 0.03173  0.08190  188 LEU A C   
1326 O O   . LEU A 181 ? 0.54683 0.43131 0.62111 -0.02838 0.04049  0.09504  188 LEU A O   
1327 C CB  . LEU A 181 ? 0.45799 0.39960 0.51205 -0.01442 0.03364  0.07463  188 LEU A CB  
1328 C CG  . LEU A 181 ? 0.50380 0.46624 0.55721 -0.01291 0.03331  0.06109  188 LEU A CG  
1329 C CD1 . LEU A 181 ? 0.48802 0.46819 0.53059 -0.01258 0.04129  0.06395  188 LEU A CD1 
1330 C CD2 . LEU A 181 ? 0.49096 0.45426 0.53898 -0.00490 0.02642  0.05121  188 LEU A CD2 
1331 N N   . HIS A 182 ? 0.52678 0.39187 0.59454 -0.00583 0.02745  0.08078  189 HIS A N   
1332 C CA  . HIS A 182 ? 0.59400 0.42181 0.66406 -0.00245 0.03287  0.09856  189 HIS A CA  
1333 C C   . HIS A 182 ? 0.63356 0.47373 0.68325 0.01220  0.03426  0.12326  189 HIS A C   
1334 O O   . HIS A 182 ? 0.65764 0.50993 0.69786 0.03115  0.02677  0.12383  189 HIS A O   
1335 C CB  . HIS A 182 ? 0.65934 0.45673 0.73769 0.00802  0.02897  0.08598  189 HIS A CB  
1336 C CG  . HIS A 182 ? 0.71496 0.51298 0.80592 -0.00393 0.02502  0.05667  189 HIS A CG  
1337 N ND1 . HIS A 182 ? 0.70824 0.47447 0.81643 -0.01933 0.02845  0.04508  189 HIS A ND1 
1338 C CD2 . HIS A 182 ? 0.59184 0.42060 0.67927 -0.00300 0.01806  0.03694  189 HIS A CD2 
1339 C CE1 . HIS A 182 ? 0.63994 0.42366 0.75224 -0.02638 0.02159  0.01750  189 HIS A CE1 
1340 N NE2 . HIS A 182 ? 0.61686 0.43761 0.71538 -0.01532 0.01587  0.01500  189 HIS A NE2 
1341 N N   . LEU A 183 ? 0.57720 0.42134 0.62023 0.00330  0.04387  0.14317  190 LEU A N   
1342 C CA  . LEU A 183 ? 0.59043 0.45974 0.60792 0.01530  0.04482  0.16367  190 LEU A CA  
1343 C C   . LEU A 183 ? 0.66920 0.51666 0.67663 0.03639  0.04333  0.18933  190 LEU A C   
1344 O O   . LEU A 183 ? 0.73888 0.53883 0.75970 0.03707  0.04926  0.20068  190 LEU A O   
1345 C CB  . LEU A 183 ? 0.60862 0.48997 0.62009 0.00069  0.05849  0.17885  190 LEU A CB  
1346 C CG  . LEU A 183 ? 0.64365 0.55601 0.66305 -0.01358 0.06097  0.15731  190 LEU A CG  
1347 C CD1 . LEU A 183 ? 0.62036 0.54806 0.63581 -0.02525 0.07711  0.17375  190 LEU A CD1 
1348 C CD2 . LEU A 183 ? 0.56144 0.50706 0.56651 -0.00345 0.05159  0.13837  190 LEU A CD2 
1349 N N   . LYS A 184 ? 0.58459 0.74056 0.55573 0.14669  -0.05123 0.09573  191 LYS A N   
1350 C CA  . LYS A 184 ? 0.61756 0.78046 0.58338 0.17042  -0.05722 0.11897  191 LYS A CA  
1351 C C   . LYS A 184 ? 0.60534 0.72508 0.55359 0.17009  -0.05060 0.13910  191 LYS A C   
1352 O O   . LYS A 184 ? 0.67626 0.77656 0.61349 0.14821  -0.04320 0.13530  191 LYS A O   
1353 C CB  . LYS A 184 ? 0.61627 0.84090 0.57508 0.17009  -0.06971 0.12500  191 LYS A CB  
1354 C CG  . LYS A 184 ? 0.51471 0.78570 0.49199 0.16573  -0.07517 0.10694  191 LYS A CG  
1355 C CD  . LYS A 184 ? 0.56692 0.90189 0.54127 0.16609  -0.08843 0.11320  191 LYS A CD  
1356 C CE  . LYS A 184 ? 0.63102 1.00757 0.62092 0.14806  -0.09110 0.09307  191 LYS A CE  
1357 N NZ  . LYS A 184 ? 0.64030 1.07074 0.62295 0.13263  -0.10211 0.09179  191 LYS A NZ  
1358 N N   . GLU A 185 ? 0.68346 0.78962 0.62983 0.19577  -0.05254 0.16243  192 GLU A N   
1359 C CA  . GLU A 185 ? 0.78737 0.84460 0.71966 0.19732  -0.04401 0.18514  192 GLU A CA  
1360 C C   . GLU A 185 ? 0.77566 0.85238 0.68007 0.18066  -0.04454 0.19920  192 GLU A C   
1361 O O   . GLU A 185 ? 0.80846 0.84770 0.70083 0.16934  -0.03371 0.21069  192 GLU A O   
1362 C CB  . GLU A 185 ? 0.78447 0.82295 0.72045 0.23161  -0.04623 0.21030  192 GLU A CB  
1363 C CG  . GLU A 185 ? 0.89745 0.96172 0.81026 0.24471  -0.05356 0.24408  192 GLU A CG  
1364 C CD  . GLU A 185 ? 1.18921 1.23066 1.10712 0.28229  -0.05509 0.27182  192 GLU A CD  
1365 O OE1 . GLU A 185 ? 1.28947 1.38177 1.20565 0.30559  -0.06819 0.28637  192 GLU A OE1 
1366 O OE2 . GLU A 185 ? 1.26927 1.24204 1.19436 0.28869  -0.04316 0.27860  192 GLU A OE2 
1367 N N   . ASP A 186 ? 0.66480 0.80141 0.55892 0.17753  -0.05627 0.19699  193 ASP A N   
1368 C CA  . ASP A 186 ? 0.68942 0.85049 0.55465 0.16289  -0.05767 0.20665  193 ASP A CA  
1369 C C   . ASP A 186 ? 0.69145 0.86784 0.55378 0.13262  -0.05472 0.17840  193 ASP A C   
1370 O O   . ASP A 186 ? 0.73386 0.94104 0.57363 0.11988  -0.05765 0.17816  193 ASP A O   
1371 C CB  . ASP A 186 ? 0.69036 0.90948 0.54284 0.17938  -0.07341 0.22319  193 ASP A CB  
1372 C CG  . ASP A 186 ? 0.66861 0.94101 0.53964 0.17935  -0.08585 0.20180  193 ASP A CG  
1373 O OD1 . ASP A 186 ? 0.69310 0.95167 0.58884 0.17597  -0.08205 0.18088  193 ASP A OD1 
1374 O OD2 . ASP A 186 ? 0.89180 1.22319 0.75272 0.18190  -0.09939 0.20624  193 ASP A OD2 
1375 N N   . GLN A 187 ? 0.60129 0.75667 0.48500 0.12214  -0.04874 0.15457  194 GLN A N   
1376 C CA  . GLN A 187 ? 0.64244 0.80733 0.52619 0.09690  -0.04520 0.12945  194 GLN A CA  
1377 C C   . GLN A 187 ? 0.59333 0.71288 0.48316 0.08371  -0.03076 0.12138  194 GLN A C   
1378 O O   . GLN A 187 ? 0.62566 0.74460 0.52575 0.06910  -0.02717 0.09941  194 GLN A O   
1379 C CB  . GLN A 187 ? 0.60137 0.79456 0.50516 0.09495  -0.05247 0.10855  194 GLN A CB  
1380 C CG  . GLN A 187 ? 0.53308 0.78023 0.43542 0.10376  -0.06696 0.11310  194 GLN A CG  
1381 C CD  . GLN A 187 ? 0.57641 0.85728 0.45379 0.09018  -0.07246 0.11349  194 GLN A CD  
1382 O OE1 . GLN A 187 ? 0.61915 0.89289 0.48676 0.06895  -0.06629 0.09832  194 GLN A OE1 
1383 N NE2 . GLN A 187 ? 0.56681 0.88722 0.43371 0.10374  -0.08436 0.12977  194 GLN A NE2 
1384 N N   . THR A 188 ? 0.63814 0.72089 0.52280 0.08844  -0.02224 0.14016  195 THR A N   
1385 C CA  . THR A 188 ? 0.64088 0.68454 0.53473 0.07452  -0.00869 0.13286  195 THR A CA  
1386 C C   . THR A 188 ? 0.67698 0.73075 0.55669 0.05340  -0.00065 0.12586  195 THR A C   
1387 O O   . THR A 188 ? 0.70529 0.73625 0.59512 0.04046  0.01032  0.11744  195 THR A O   
1388 C CB  . THR A 188 ? 0.63761 0.63692 0.53212 0.08304  -0.00077 0.15563  195 THR A CB  
1389 O OG1 . THR A 188 ? 0.74170 0.74928 0.60975 0.08756  -0.00015 0.18391  195 THR A OG1 
1390 C CG2 . THR A 188 ? 0.65659 0.63794 0.56871 0.10546  -0.00645 0.15772  195 THR A CG2 
1391 N N   . GLU A 189 ? 0.66050 0.75045 0.51799 0.04990  -0.00576 0.12736  196 GLU A N   
1392 C CA  . GLU A 189 ? 0.67318 0.77393 0.51691 0.03174  0.00264  0.11672  196 GLU A CA  
1393 C C   . GLU A 189 ? 0.69608 0.79481 0.55925 0.02019  0.00555  0.08840  196 GLU A C   
1394 O O   . GLU A 189 ? 0.59426 0.68800 0.45657 0.00747  0.01646  0.07918  196 GLU A O   
1395 C CB  . GLU A 189 ? 0.59784 0.74006 0.41382 0.03061  -0.00501 0.11837  196 GLU A CB  
1396 C CG  . GLU A 189 ? 0.63458 0.80731 0.45723 0.02800  -0.01713 0.09643  196 GLU A CG  
1397 C CD  . GLU A 189 ? 0.69887 0.91578 0.49605 0.02768  -0.02765 0.09845  196 GLU A CD  
1398 O OE1 . GLU A 189 ? 0.72512 0.96048 0.51607 0.04297  -0.03806 0.11804  196 GLU A OE1 
1399 O OE2 . GLU A 189 ? 0.66532 0.89983 0.44915 0.01292  -0.02580 0.07932  196 GLU A OE2 
1400 N N   . TYR A 190 ? 0.54900 0.65339 0.43023 0.02573  -0.00330 0.07607  197 TYR A N   
1401 C CA  . TYR A 190 ? 0.63503 0.73778 0.53381 0.01715  -0.00106 0.05331  197 TYR A CA  
1402 C C   . TYR A 190 ? 0.61142 0.68553 0.53090 0.01623  0.00661  0.04942  197 TYR A C   
1403 O O   . TYR A 190 ? 0.61298 0.68743 0.54824 0.01240  0.00733  0.03309  197 TYR A O   
1404 C CB  . TYR A 190 ? 0.50153 0.62518 0.41024 0.02197  -0.01236 0.04405  197 TYR A CB  
1405 C CG  . TYR A 190 ? 0.58104 0.73768 0.47203 0.01933  -0.02080 0.04465  197 TYR A CG  
1406 C CD1 . TYR A 190 ? 0.55081 0.71826 0.42755 0.00513  -0.01755 0.03191  197 TYR A CD1 
1407 C CD2 . TYR A 190 ? 0.53764 0.71691 0.42652 0.03156  -0.03211 0.05654  197 TYR A CD2 
1408 C CE1 . TYR A 190 ? 0.59400 0.79352 0.45396 0.00040  -0.02594 0.02865  197 TYR A CE1 
1409 C CE2 . TYR A 190 ? 0.53660 0.75309 0.41023 0.02771  -0.04133 0.05567  197 TYR A CE2 
1410 C CZ  . TYR A 190 ? 0.53423 0.76042 0.39287 0.01074  -0.03847 0.04065  197 TYR A CZ  
1411 O OH  . TYR A 190 ? 0.54648 0.81137 0.38957 0.00463  -0.04829 0.03587  197 TYR A OH  
1412 N N   . LEU A 191 ? 0.66470 0.71481 0.58444 0.01900  0.01224  0.06435  198 LEU A N   
1413 C CA  . LEU A 191 ? 0.61494 0.63961 0.55320 0.01272  0.02090  0.05906  198 LEU A CA  
1414 C C   . LEU A 191 ? 0.70343 0.72529 0.63591 -0.00185 0.03395  0.06205  198 LEU A C   
1415 O O   . LEU A 191 ? 0.68430 0.69179 0.63417 -0.01047 0.04173  0.05632  198 LEU A O   
1416 C CB  . LEU A 191 ? 0.63728 0.63194 0.58375 0.02260  0.02043  0.07119  198 LEU A CB  
1417 C CG  . LEU A 191 ? 0.65040 0.64671 0.60709 0.03926  0.00978  0.06607  198 LEU A CG  
1418 C CD1 . LEU A 191 ? 0.60303 0.56360 0.56635 0.05045  0.01159  0.07798  198 LEU A CD1 
1419 C CD2 . LEU A 191 ? 0.61943 0.62539 0.59439 0.03596  0.00754  0.04231  198 LEU A CD2 
1420 N N   . GLU A 192 ? 0.66701 0.70655 0.57589 -0.00520 0.03663  0.06964  199 GLU A N   
1421 C CA  . GLU A 192 ? 0.72555 0.76815 0.62611 -0.01770 0.05056  0.07360  199 GLU A CA  
1422 C C   . GLU A 192 ? 0.70988 0.77073 0.61736 -0.02507 0.05484  0.05087  199 GLU A C   
1423 O O   . GLU A 192 ? 0.72722 0.80330 0.62977 -0.02167 0.04748  0.03758  199 GLU A O   
1424 C CB  . GLU A 192 ? 0.66287 0.71938 0.53121 -0.01614 0.05202  0.09235  199 GLU A CB  
1425 C CG  . GLU A 192 ? 0.96821 1.01049 0.82852 -0.02310 0.06579  0.11534  199 GLU A CG  
1426 C CD  . GLU A 192 ? 1.05385 1.05764 0.93272 -0.02036 0.06690  0.12926  199 GLU A CD  
1427 O OE1 . GLU A 192 ? 1.02699 1.01363 0.92670 -0.03289 0.07750  0.12518  199 GLU A OE1 
1428 O OE2 . GLU A 192 ? 1.09578 1.08749 0.96961 -0.00553 0.05722  0.14297  199 GLU A OE2 
1429 N N   . GLU A 193 ? 0.64229 0.70158 0.56272 -0.03522 0.06742  0.04710  200 GLU A N   
1430 C CA  . GLU A 193 ? 0.66374 0.73946 0.59556 -0.03870 0.07220  0.02653  200 GLU A CA  
1431 C C   . GLU A 193 ? 0.62322 0.71876 0.53136 -0.03811 0.07441  0.01912  200 GLU A C   
1432 O O   . GLU A 193 ? 0.53322 0.63523 0.44465 -0.03450 0.07011  0.00181  200 GLU A O   
1433 C CB  . GLU A 193 ? 0.55638 0.63451 0.50670 -0.04952 0.08599  0.02600  200 GLU A CB  
1434 C CG  . GLU A 193 ? 0.67235 0.77366 0.63044 -0.05086 0.09430  0.00877  200 GLU A CG  
1435 C CD  . GLU A 193 ? 0.86576 0.97689 0.85024 -0.06063 0.10564  0.00619  200 GLU A CD  
1436 O OE1 . GLU A 193 ? 0.86895 0.96697 0.86261 -0.07047 0.10910  0.01845  200 GLU A OE1 
1437 O OE2 . GLU A 193 ? 0.81427 0.94660 0.81177 -0.05852 0.11136  -0.00826 200 GLU A OE2 
1438 N N   . ARG A 194 ? 0.64881 0.75333 0.53187 -0.04194 0.08158  0.03195  201 ARG A N   
1439 C CA  . ARG A 194 ? 0.59014 0.71618 0.44846 -0.04250 0.08468  0.02121  201 ARG A CA  
1440 C C   . ARG A 194 ? 0.65149 0.78218 0.49603 -0.03695 0.06937  0.01417  201 ARG A C   
1441 O O   . ARG A 194 ? 0.63403 0.77562 0.46989 -0.03814 0.06910  -0.00546 201 ARG A O   
1442 C CB  . ARG A 194 ? 0.69479 0.83451 0.52656 -0.04772 0.09599  0.03803  201 ARG A CB  
1443 C CG  . ARG A 194 ? 0.88695 1.02254 0.69778 -0.04363 0.08796  0.06378  201 ARG A CG  
1444 C CD  . ARG A 194 ? 0.94054 1.07826 0.73658 -0.04972 0.10219  0.08933  201 ARG A CD  
1445 N NE  . ARG A 194 ? 0.95849 1.08836 0.73583 -0.04260 0.09449  0.11799  201 ARG A NE  
1446 C CZ  . ARG A 194 ? 1.04773 1.18881 0.79621 -0.04375 0.10234  0.14330  201 ARG A CZ  
1447 N NH1 . ARG A 194 ? 0.92490 1.08761 0.65890 -0.05333 0.11918  0.14276  201 ARG A NH1 
1448 N NH2 . ARG A 194 ? 1.10376 1.23651 0.83718 -0.03349 0.09361  0.17096  201 ARG A NH2 
1449 N N   . ARG A 195 ? 0.65850 0.78145 0.50284 -0.03111 0.05710  0.02870  202 ARG A N   
1450 C CA  . ARG A 195 ? 0.56260 0.69639 0.39876 -0.02695 0.04229  0.02214  202 ARG A CA  
1451 C C   . ARG A 195 ? 0.56344 0.69015 0.42221 -0.02685 0.03766  0.00214  202 ARG A C   
1452 O O   . ARG A 195 ? 0.49955 0.63631 0.35169 -0.03024 0.03317  -0.01380 202 ARG A O   
1453 C CB  . ARG A 195 ? 0.68341 0.81412 0.51758 -0.01775 0.03130  0.04354  202 ARG A CB  
1454 C CG  . ARG A 195 ? 0.60340 0.75490 0.43028 -0.01354 0.01564  0.03918  202 ARG A CG  
1455 C CD  . ARG A 195 ? 0.70602 0.88739 0.50195 -0.01911 0.01368  0.03400  202 ARG A CD  
1456 N NE  . ARG A 195 ? 0.72233 0.92967 0.51282 -0.01657 -0.00250 0.03154  202 ARG A NE  
1457 C CZ  . ARG A 195 ? 0.65968 0.88574 0.44557 -0.02638 -0.00800 0.00864  202 ARG A CZ  
1458 N NH1 . ARG A 195 ? 0.67146 0.88884 0.45589 -0.03697 0.00161  -0.01407 202 ARG A NH1 
1459 N NH2 . ARG A 195 ? 0.55772 0.81199 0.34218 -0.02559 -0.02314 0.00793  202 ARG A NH2 
1460 N N   . ILE A 196 ? 0.54287 0.65254 0.42790 -0.02384 0.03899  0.00276  203 ILE A N   
1461 C CA  . ILE A 196 ? 0.55576 0.66056 0.46074 -0.02232 0.03526  -0.01228 203 ILE A CA  
1462 C C   . ILE A 196 ? 0.57230 0.67884 0.47723 -0.02643 0.04434  -0.02988 203 ILE A C   
1463 O O   . ILE A 196 ? 0.57037 0.67571 0.47740 -0.02732 0.04088  -0.04290 203 ILE A O   
1464 C CB  . ILE A 196 ? 0.46714 0.55880 0.39733 -0.01777 0.03484  -0.00855 203 ILE A CB  
1465 C CG1 . ILE A 196 ? 0.57564 0.66132 0.50632 -0.01137 0.02653  0.00601  203 ILE A CG1 
1466 C CG2 . ILE A 196 ? 0.51149 0.60226 0.45927 -0.01493 0.03145  -0.02103 203 ILE A CG2 
1467 C CD1 . ILE A 196 ? 0.57092 0.64028 0.52078 -0.00962 0.02930  0.00972  203 ILE A CD1 
1468 N N   . LYS A 197 ? 0.61285 0.72166 0.51664 -0.02880 0.05711  -0.03029 204 LYS A N   
1469 C CA  . LYS A 197 ? 0.59974 0.71165 0.50414 -0.02937 0.06735  -0.04762 204 LYS A CA  
1470 C C   . LYS A 197 ? 0.58269 0.70035 0.46325 -0.03321 0.06568  -0.06086 204 LYS A C   
1471 O O   . LYS A 197 ? 0.57112 0.68040 0.45650 -0.03250 0.06692  -0.07811 204 LYS A O   
1472 C CB  . LYS A 197 ? 0.62209 0.74368 0.52746 -0.03169 0.08221  -0.04435 204 LYS A CB  
1473 C CG  . LYS A 197 ? 0.72026 0.84076 0.65662 -0.02886 0.08705  -0.04462 204 LYS A CG  
1474 C CD  . LYS A 197 ? 0.81098 0.94845 0.75152 -0.03140 0.10370  -0.04770 204 LYS A CD  
1475 C CE  . LYS A 197 ? 0.94956 1.09252 0.89237 -0.02376 0.11144  -0.06763 204 LYS A CE  
1476 N NZ  . LYS A 197 ? 0.86591 1.01779 0.84076 -0.01664 0.11657  -0.07279 204 LYS A NZ  
1477 N N   . GLU A 198 ? 0.54244 0.67407 0.39711 -0.03738 0.06252  -0.05297 205 GLU A N   
1478 C CA  . GLU A 198 ? 0.58474 0.72831 0.41460 -0.04292 0.05960  -0.06794 205 GLU A CA  
1479 C C   . GLU A 198 ? 0.52430 0.66088 0.36253 -0.04575 0.04713  -0.07807 205 GLU A C   
1480 O O   . GLU A 198 ? 0.58136 0.71469 0.41348 -0.05157 0.04822  -0.09963 205 GLU A O   
1481 C CB  . GLU A 198 ? 0.55715 0.72315 0.35780 -0.04510 0.05602  -0.05307 205 GLU A CB  
1482 C CG  . GLU A 198 ? 0.59458 0.78162 0.36775 -0.05167 0.04873  -0.06772 205 GLU A CG  
1483 C CD  . GLU A 198 ? 0.60813 0.82154 0.35466 -0.05046 0.04115  -0.04719 205 GLU A CD  
1484 O OE1 . GLU A 198 ? 0.61589 0.82504 0.37215 -0.04376 0.03359  -0.02322 205 GLU A OE1 
1485 O OE2 . GLU A 198 ? 0.65595 0.89480 0.37117 -0.05479 0.04287  -0.05488 205 GLU A OE2 
1486 N N   . ILE A 199 ? 0.50207 0.63560 0.35535 -0.04236 0.03638  -0.06370 206 ILE A N   
1487 C CA  . ILE A 199 ? 0.58255 0.71476 0.44523 -0.04633 0.02566  -0.07080 206 ILE A CA  
1488 C C   . ILE A 199 ? 0.55155 0.66057 0.43475 -0.04592 0.03163  -0.08344 206 ILE A C   
1489 O O   . ILE A 199 ? 0.56242 0.66456 0.44606 -0.05376 0.03007  -0.09859 206 ILE A O   
1490 C CB  . ILE A 199 ? 0.47419 0.61368 0.34750 -0.04046 0.01418  -0.05194 206 ILE A CB  
1491 C CG1 . ILE A 199 ? 0.57530 0.73747 0.42724 -0.03856 0.00743  -0.03807 206 ILE A CG1 
1492 C CG2 . ILE A 199 ? 0.49858 0.64061 0.38558 -0.04499 0.00529  -0.05804 206 ILE A CG2 
1493 C CD1 . ILE A 199 ? 0.64212 0.80503 0.50441 -0.02753 0.00031  -0.01675 206 ILE A CD1 
1494 N N   . VAL A 200 ? 0.51668 0.61371 0.41755 -0.03711 0.03853  -0.07694 207 VAL A N   
1495 C CA  . VAL A 200 ? 0.57103 0.64903 0.49110 -0.03301 0.04393  -0.08500 207 VAL A CA  
1496 C C   . VAL A 200 ? 0.61272 0.67970 0.52398 -0.03565 0.05402  -0.10537 207 VAL A C   
1497 O O   . VAL A 200 ? 0.62536 0.67355 0.54331 -0.03805 0.05498  -0.11626 207 VAL A O   
1498 C CB  . VAL A 200 ? 0.62228 0.69874 0.56149 -0.02270 0.04857  -0.07514 207 VAL A CB  
1499 C CG1 . VAL A 200 ? 0.60437 0.66789 0.55815 -0.01525 0.05785  -0.08441 207 VAL A CG1 
1500 C CG2 . VAL A 200 ? 0.49058 0.57004 0.44338 -0.01919 0.03861  -0.06157 207 VAL A CG2 
1501 N N   . LYS A 201 ? 0.56781 0.64520 0.46364 -0.03526 0.06283  -0.11089 208 LYS A N   
1502 C CA  . LYS A 201 ? 0.67781 0.74679 0.56380 -0.03573 0.07399  -0.13328 208 LYS A CA  
1503 C C   . LYS A 201 ? 0.74006 0.80580 0.60838 -0.04859 0.06823  -0.15091 208 LYS A C   
1504 O O   . LYS A 201 ? 0.78066 0.82620 0.64820 -0.05011 0.07532  -0.17258 208 LYS A O   
1505 C CB  . LYS A 201 ? 0.57813 0.66656 0.44912 -0.03326 0.08532  -0.13454 208 LYS A CB  
1506 C CG  . LYS A 201 ? 0.83377 0.92340 0.72601 -0.02168 0.09688  -0.12937 208 LYS A CG  
1507 C CD  . LYS A 201 ? 0.84202 0.95571 0.72761 -0.02370 0.10171  -0.11389 208 LYS A CD  
1508 C CE  . LYS A 201 ? 0.99347 1.11812 0.89506 -0.01572 0.11728  -0.11665 208 LYS A CE  
1509 N NZ  . LYS A 201 ? 0.97126 1.08087 0.89866 -0.00346 0.11996  -0.12643 208 LYS A NZ  
1510 N N   . LYS A 202 ? 0.65857 0.74441 0.51394 -0.05770 0.05544  -0.14299 209 LYS A N   
1511 C CA  . LYS A 202 ? 0.64680 0.73888 0.48607 -0.07228 0.04824  -0.16092 209 LYS A CA  
1512 C C   . LYS A 202 ? 0.69471 0.76706 0.55388 -0.08007 0.04183  -0.16454 209 LYS A C   
1513 O O   . LYS A 202 ? 0.64081 0.69741 0.49714 -0.09153 0.04367  -0.18727 209 LYS A O   
1514 C CB  . LYS A 202 ? 0.68568 0.81452 0.50408 -0.07715 0.03638  -0.14938 209 LYS A CB  
1515 C CG  . LYS A 202 ? 0.75214 0.89836 0.55899 -0.09312 0.02421  -0.16428 209 LYS A CG  
1516 C CD  . LYS A 202 ? 0.73431 0.92309 0.51457 -0.09429 0.01429  -0.15453 209 LYS A CD  
1517 C CE  . LYS A 202 ? 0.88693 1.10162 0.65497 -0.11132 0.00151  -0.17347 209 LYS A CE  
1518 N NZ  . LYS A 202 ? 0.88715 1.14848 0.63792 -0.10908 -0.01301 -0.15579 209 LYS A NZ  
1519 N N   . HIS A 203 ? 0.64235 0.71451 0.52174 -0.07484 0.03542  -0.14312 210 HIS A N   
1520 C CA  . HIS A 203 ? 0.66300 0.72672 0.55906 -0.08385 0.02853  -0.14181 210 HIS A CA  
1521 C C   . HIS A 203 ? 0.66327 0.69702 0.58348 -0.07511 0.03530  -0.13393 210 HIS A C   
1522 O O   . HIS A 203 ? 0.65623 0.67952 0.58999 -0.08334 0.03238  -0.13195 210 HIS A O   
1523 C CB  . HIS A 203 ? 0.56803 0.66330 0.46679 -0.08501 0.01464  -0.12359 210 HIS A CB  
1524 C CG  . HIS A 203 ? 0.68334 0.81252 0.56035 -0.09378 0.00512  -0.12896 210 HIS A CG  
1525 N ND1 . HIS A 203 ? 0.71407 0.85392 0.58413 -0.11237 -0.00059 -0.14847 210 HIS A ND1 
1526 C CD2 . HIS A 203 ? 0.70606 0.86226 0.56649 -0.08642 0.00004  -0.11658 210 HIS A CD2 
1527 C CE1 . HIS A 203 ? 0.74853 0.92617 0.59780 -0.11503 -0.01006 -0.14832 210 HIS A CE1 
1528 N NE2 . HIS A 203 ? 0.81027 0.99686 0.65272 -0.09834 -0.00945 -0.12726 210 HIS A NE2 
1529 N N   . SER A 204 ? 0.67521 0.69869 0.60164 -0.05911 0.04421  -0.12818 211 SER A N   
1530 C CA  . SER A 204 ? 0.59755 0.60138 0.54617 -0.04809 0.04837  -0.11709 211 SER A CA  
1531 C C   . SER A 204 ? 0.68951 0.67708 0.64275 -0.03373 0.06121  -0.12347 211 SER A C   
1532 O O   . SER A 204 ? 0.71768 0.70739 0.68611 -0.01943 0.06341  -0.11064 211 SER A O   
1533 C CB  . SER A 204 ? 0.62443 0.64823 0.58386 -0.04023 0.04067  -0.09528 211 SER A CB  
1534 O OG  . SER A 204 ? 0.68820 0.73206 0.64378 -0.05029 0.02950  -0.08972 211 SER A OG  
1535 N N   . GLN A 205 ? 0.80001 0.77484 0.74084 -0.03682 0.06973  -0.14492 212 GLN A N   
1536 C CA  . GLN A 205 ? 0.83462 0.79886 0.78060 -0.02114 0.08316  -0.15259 212 GLN A CA  
1537 C C   . GLN A 205 ? 0.88114 0.81117 0.84700 -0.00960 0.08985  -0.15090 212 GLN A C   
1538 O O   . GLN A 205 ? 0.96661 0.89294 0.94325 0.00851  0.09956  -0.15142 212 GLN A O   
1539 C CB  . GLN A 205 ? 0.88256 0.84672 0.80706 -0.02616 0.09152  -0.17807 212 GLN A CB  
1540 C CG  . GLN A 205 ? 0.94005 0.90019 0.84648 -0.04689 0.08497  -0.19497 212 GLN A CG  
1541 C CD  . GLN A 205 ? 1.12769 1.08667 1.01184 -0.05054 0.09424  -0.22447 212 GLN A CD  
1542 O OE1 . GLN A 205 ? 1.07888 1.04128 0.96107 -0.03650 0.10678  -0.23104 212 GLN A OE1 
1543 N NE2 . GLN A 205 ? 1.11390 1.07231 0.98155 -0.06982 0.08828  -0.24390 212 GLN A NE2 
1544 N N   . PHE A 206 ? 0.83360 0.74061 0.80562 -0.01904 0.08542  -0.14706 213 PHE A N   
1545 C CA  . PHE A 206 ? 0.84732 0.71608 0.83612 -0.00870 0.09290  -0.14283 213 PHE A CA  
1546 C C   . PHE A 206 ? 0.74741 0.62028 0.75194 -0.00470 0.08587  -0.11533 213 PHE A C   
1547 O O   . PHE A 206 ? 0.84005 0.68064 0.85537 -0.00286 0.08986  -0.10747 213 PHE A O   
1548 C CB  . PHE A 206 ? 0.82689 0.65553 0.80996 -0.02406 0.09803  -0.16364 213 PHE A CB  
1549 C CG  . PHE A 206 ? 0.95648 0.77921 0.92267 -0.02606 0.10641  -0.19455 213 PHE A CG  
1550 C CD1 . PHE A 206 ? 1.00611 0.80164 0.97779 -0.00702 0.12100  -0.20717 213 PHE A CD1 
1551 C CD2 . PHE A 206 ? 1.00241 0.85016 0.94656 -0.04525 0.09986  -0.21101 213 PHE A CD2 
1552 C CE1 . PHE A 206 ? 1.05840 0.85156 1.01310 -0.00792 0.12999  -0.23786 213 PHE A CE1 
1553 C CE2 . PHE A 206 ? 0.97524 0.82229 0.90047 -0.04695 0.10778  -0.24021 213 PHE A CE2 
1554 C CZ  . PHE A 206 ? 0.98758 0.80702 0.91773 -0.02872 0.12341  -0.25475 213 PHE A CZ  
1555 N N   . ILE A 207 ? 0.73328 0.64408 0.73858 -0.00300 0.07638  -0.10051 214 ILE A N   
1556 C CA  . ILE A 207 ? 0.62381 0.54467 0.64207 0.00331  0.07029  -0.07676 214 ILE A CA  
1557 C C   . ILE A 207 ? 0.73696 0.65203 0.77011 0.02722  0.07647  -0.06625 214 ILE A C   
1558 O O   . ILE A 207 ? 0.77297 0.70145 0.80892 0.04001  0.08070  -0.07255 214 ILE A O   
1559 C CB  . ILE A 207 ? 0.59728 0.55821 0.61184 -0.00009 0.05931  -0.06843 214 ILE A CB  
1560 C CG1 . ILE A 207 ? 0.66074 0.63089 0.66254 -0.02059 0.05215  -0.07534 214 ILE A CG1 
1561 C CG2 . ILE A 207 ? 0.52969 0.50557 0.55625 0.00923  0.05388  -0.04753 214 ILE A CG2 
1562 C CD1 . ILE A 207 ? 0.59365 0.54721 0.59927 -0.03492 0.05115  -0.07292 214 ILE A CD1 
1563 N N   . GLY A 208 ? 0.71396 0.61292 0.75731 0.03362  0.07720  -0.04868 215 GLY A N   
1564 C CA  . GLY A 208 ? 0.68234 0.57404 0.73944 0.05834  0.08289  -0.03669 215 GLY A CA  
1565 C C   . GLY A 208 ? 0.64006 0.57427 0.70563 0.07313  0.07521  -0.02100 215 GLY A C   
1566 O O   . GLY A 208 ? 0.62303 0.55839 0.69918 0.09149  0.07599  -0.00341 215 GLY A O   
1567 N N   . TYR A 209 ? 0.61475 0.58391 0.67555 0.06548  0.06767  -0.02723 216 TYR A N   
1568 C CA  . TYR A 209 ? 0.54318 0.55275 0.61204 0.07569  0.06009  -0.01821 216 TYR A CA  
1569 C C   . TYR A 209 ? 0.60613 0.63914 0.67340 0.07047  0.05921  -0.03266 216 TYR A C   
1570 O O   . TYR A 209 ? 0.62864 0.65273 0.68343 0.05570  0.06076  -0.04476 216 TYR A O   
1571 C CB  . TYR A 209 ? 0.52514 0.55206 0.59008 0.06845  0.05033  -0.00538 216 TYR A CB  
1572 C CG  . TYR A 209 ? 0.64233 0.64998 0.70802 0.07096  0.05229  0.01237  216 TYR A CG  
1573 C CD1 . TYR A 209 ? 0.58595 0.60383 0.65990 0.09026  0.05193  0.03069  216 TYR A CD1 
1574 C CD2 . TYR A 209 ? 0.63501 0.61712 0.69353 0.05319  0.05458  0.01209  216 TYR A CD2 
1575 C CE1 . TYR A 209 ? 0.59134 0.59039 0.66473 0.09251  0.05514  0.05098  216 TYR A CE1 
1576 C CE2 . TYR A 209 ? 0.65304 0.61640 0.71377 0.05262  0.05812  0.03019  216 TYR A CE2 
1577 C CZ  . TYR A 209 ? 0.66038 0.63028 0.72768 0.07264  0.05903  0.05096  216 TYR A CZ  
1578 O OH  . TYR A 209 ? 0.69333 0.64339 0.76151 0.07197  0.06388  0.07283  216 TYR A OH  
1579 N N   . PRO A 210 ? 0.49140 0.55645 0.57121 0.08139  0.05682  -0.03097 217 PRO A N   
1580 C CA  . PRO A 210 ? 0.51599 0.60176 0.59674 0.07445  0.05805  -0.04291 217 PRO A CA  
1581 C C   . PRO A 210 ? 0.56294 0.65568 0.63261 0.05768  0.05021  -0.04381 217 PRO A C   
1582 O O   . PRO A 210 ? 0.46643 0.56992 0.53669 0.05714  0.04139  -0.03588 217 PRO A O   
1583 C CB  . PRO A 210 ? 0.49335 0.61473 0.59423 0.08862  0.05610  -0.03970 217 PRO A CB  
1584 C CG  . PRO A 210 ? 0.61340 0.74009 0.71888 0.10079  0.04918  -0.02450 217 PRO A CG  
1585 C CD  . PRO A 210 ? 0.57835 0.66463 0.67263 0.09998  0.05315  -0.01767 217 PRO A CD  
1586 N N   . ILE A 211 ? 0.50498 0.59254 0.56371 0.04578  0.05403  -0.05303 218 ILE A N   
1587 C CA  . ILE A 211 ? 0.43000 0.52179 0.47798 0.03244  0.04777  -0.05246 218 ILE A CA  
1588 C C   . ILE A 211 ? 0.47927 0.58930 0.53330 0.02870  0.05066  -0.05601 218 ILE A C   
1589 O O   . ILE A 211 ? 0.57415 0.68457 0.62495 0.02623  0.05999  -0.06234 218 ILE A O   
1590 C CB  . ILE A 211 ? 0.44709 0.52020 0.47545 0.02108  0.04893  -0.05692 218 ILE A CB  
1591 C CG1 . ILE A 211 ? 0.53495 0.59025 0.56041 0.02034  0.04649  -0.05399 218 ILE A CG1 
1592 C CG2 . ILE A 211 ? 0.44270 0.52331 0.46104 0.01133  0.04260  -0.05371 218 ILE A CG2 
1593 C CD1 . ILE A 211 ? 0.47954 0.52000 0.48820 0.00746  0.04749  -0.06233 218 ILE A CD1 
1594 N N   . THR A 212 ? 0.42403 0.54911 0.48669 0.02714  0.04364  -0.05282 219 THR A N   
1595 C CA  . THR A 212 ? 0.45736 0.59723 0.52903 0.02032  0.04639  -0.05588 219 THR A CA  
1596 C C   . THR A 212 ? 0.41521 0.54300 0.47403 0.00914  0.04322  -0.05246 219 THR A C   
1597 O O   . THR A 212 ? 0.48442 0.60775 0.54021 0.00998  0.03441  -0.04942 219 THR A O   
1598 C CB  . THR A 212 ? 0.41753 0.58262 0.51021 0.02536  0.04099  -0.05774 219 THR A CB  
1599 O OG1 . THR A 212 ? 0.44884 0.62733 0.55312 0.03938  0.04330  -0.05765 219 THR A OG1 
1600 C CG2 . THR A 212 ? 0.41844 0.59846 0.52393 0.01435  0.04488  -0.06261 219 THR A CG2 
1601 N N   . LEU A 213 ? 0.43393 0.55780 0.48471 0.00041  0.05107  -0.05177 220 LEU A N   
1602 C CA  . LEU A 213 ? 0.42126 0.53301 0.45996 -0.00826 0.04933  -0.04486 220 LEU A CA  
1603 C C   . LEU A 213 ? 0.47074 0.58828 0.52563 -0.01595 0.05165  -0.04481 220 LEU A C   
1604 O O   . LEU A 213 ? 0.47750 0.60611 0.54037 -0.02267 0.06162  -0.04596 220 LEU A O   
1605 C CB  . LEU A 213 ? 0.41346 0.51890 0.43084 -0.01347 0.05650  -0.04149 220 LEU A CB  
1606 C CG  . LEU A 213 ? 0.46610 0.56148 0.46997 -0.02074 0.05648  -0.02996 220 LEU A CG  
1607 C CD1 . LEU A 213 ? 0.41981 0.50421 0.41963 -0.01614 0.04441  -0.02458 220 LEU A CD1 
1608 C CD2 . LEU A 213 ? 0.48855 0.58548 0.46833 -0.02462 0.06318  -0.02663 220 LEU A CD2 
1609 N N   . PHE A 214 ? 0.42588 0.53700 0.48680 -0.01573 0.04322  -0.04500 221 PHE A N   
1610 C CA  . PHE A 214 ? 0.40939 0.52033 0.48629 -0.02538 0.04476  -0.04782 221 PHE A CA  
1611 C C   . PHE A 214 ? 0.60676 0.69862 0.67368 -0.03616 0.05290  -0.03654 221 PHE A C   
1612 O O   . PHE A 214 ? 0.61946 0.69686 0.66484 -0.03303 0.05256  -0.02596 221 PHE A O   
1613 C CB  . PHE A 214 ? 0.50495 0.60981 0.58759 -0.02122 0.03411  -0.05357 221 PHE A CB  
1614 C CG  . PHE A 214 ? 0.50027 0.62996 0.59502 -0.01269 0.02676  -0.06397 221 PHE A CG  
1615 C CD1 . PHE A 214 ? 0.43897 0.58339 0.53128 -0.00314 0.02687  -0.06227 221 PHE A CD1 
1616 C CD2 . PHE A 214 ? 0.41517 0.55245 0.52252 -0.01365 0.01990  -0.07530 221 PHE A CD2 
1617 C CE1 . PHE A 214 ? 0.33342 0.50049 0.43514 0.00647  0.02038  -0.06735 221 PHE A CE1 
1618 C CE2 . PHE A 214 ? 0.38137 0.54661 0.49664 -0.00482 0.01260  -0.08316 221 PHE A CE2 
1619 C CZ  . PHE A 214 ? 0.36506 0.54566 0.47726 0.00588  0.01285  -0.07700 221 PHE A CZ  
1620 N N   . VAL A 215 ? 0.55237 0.64678 0.63555 -0.04958 0.06025  -0.03777 222 VAL A N   
1621 C CA  . VAL A 215 ? 0.44021 0.51457 0.51613 -0.06152 0.06962  -0.02398 222 VAL A CA  
1622 C C   . VAL A 215 ? 0.58355 0.63324 0.67210 -0.06892 0.06650  -0.02563 222 VAL A C   
1623 O O   . VAL A 215 ? 0.59425 0.64973 0.69885 -0.06713 0.05819  -0.04113 222 VAL A O   
1624 C CB  . VAL A 215 ? 0.58491 0.67984 0.66915 -0.07408 0.08432  -0.02174 222 VAL A CB  
1625 C CG1 . VAL A 215 ? 0.70290 0.81871 0.77385 -0.06429 0.08800  -0.02370 222 VAL A CG1 
1626 C CG2 . VAL A 215 ? 0.53834 0.65663 0.65544 -0.08402 0.08542  -0.03598 222 VAL A CG2 
1627 N N   . GLU A 216 ? 0.58169 0.60263 0.66166 -0.07667 0.07362  -0.00944 223 GLU A N   
1628 C CA  . GLU A 216 ? 0.69492 0.68105 0.78390 -0.08157 0.07181  -0.00922 223 GLU A CA  
1629 C C   . GLU A 216 ? 0.72947 0.70510 0.83635 -0.10500 0.08489  -0.00522 223 GLU A C   
1630 O O   . GLU A 216 ? 0.75365 0.74652 0.85955 -0.11587 0.09693  0.00461  223 GLU A O   
1631 C CB  . GLU A 216 ? 0.64886 0.60267 0.71461 -0.06846 0.06869  0.00919  223 GLU A CB  
1632 C CG  . GLU A 216 ? 0.69496 0.65721 0.74958 -0.04783 0.05506  0.00291  223 GLU A CG  
1633 C CD  . GLU A 216 ? 0.78663 0.72030 0.82573 -0.03398 0.05085  0.01840  223 GLU A CD  
1634 O OE1 . GLU A 216 ? 0.78873 0.69149 0.83795 -0.03212 0.04987  0.01564  223 GLU A OE1 
1635 O OE2 . GLU A 216 ? 0.75063 0.69402 0.76805 -0.02446 0.04845  0.03231  223 GLU A OE2 
1636 N N   . LYS A 217 ? 0.80325 0.75042 0.92704 -0.11347 0.08324  -0.01405 224 LYS A N   
1637 C CA  . LYS A 217 ? 0.89196 0.82326 1.03711 -0.13946 0.09535  -0.01262 224 LYS A CA  
1638 C C   . LYS A 217 ? 1.07704 0.98292 1.20642 -0.14713 0.11019  0.01895  224 LYS A C   
1639 O O   . LYS A 217 ? 0.99447 0.88228 1.09596 -0.13024 0.10845  0.03908  224 LYS A O   
1640 C CB  . LYS A 217 ? 0.98847 0.88293 1.15035 -0.14496 0.09019  -0.02887 224 LYS A CB  
1641 C CG  . LYS A 217 ? 1.11148 0.94942 1.25587 -0.13162 0.08990  -0.01205 224 LYS A CG  
1642 C CD  . LYS A 217 ? 1.17426 0.96896 1.33833 -0.14066 0.08900  -0.02947 224 LYS A CD  
1643 C CE  . LYS A 217 ? 1.20867 0.95848 1.35628 -0.11594 0.08331  -0.02188 224 LYS A CE  
1644 N NZ  . LYS A 217 ? 1.16175 0.87747 1.28891 -0.10920 0.09257  0.01627  224 LYS A NZ  
# 
