data_7HBL
# 
_entry.id   7HBL 
# 
_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   7HBL         pdb_00007hbl 10.2210/pdb7hbl/pdb 
WWPDB D_1001407267 ?            ?                   
# 
_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                        7HBL 
_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 3-chloranyl-4-fluoranyl-benzamide 173.572   1   ?        ? ? ? 
3 water       nat water                             18.015    268 ?        ? ? ? 
# 
_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 3-chloranyl-4-fluoranyl-benzamide 9TW 
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 
9TW non-polymer         . 3-chloranyl-4-fluoranyl-benzamide ? 'C7 H5 Cl F N O' 173.572 
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        9TW 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   9TW 
_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 9TW 1   301 301 9TW BX0 A . 
C 3 HOH 1   401 203 HOH HOH A . 
C 3 HOH 2   402 204 HOH HOH A . 
C 3 HOH 3   403 226 HOH HOH A . 
C 3 HOH 4   404 200 HOH HOH A . 
C 3 HOH 5   405 184 HOH HOH A . 
C 3 HOH 6   406 266 HOH HOH A . 
C 3 HOH 7   407 250 HOH HOH A . 
C 3 HOH 8   408 206 HOH HOH A . 
C 3 HOH 9   409 132 HOH HOH A . 
C 3 HOH 10  410 54  HOH HOH A . 
C 3 HOH 11  411 109 HOH HOH A . 
C 3 HOH 12  412 38  HOH HOH A . 
C 3 HOH 13  413 22  HOH HOH A . 
C 3 HOH 14  414 181 HOH HOH A . 
C 3 HOH 15  415 124 HOH HOH A . 
C 3 HOH 16  416 61  HOH HOH A . 
C 3 HOH 17  417 121 HOH HOH A . 
C 3 HOH 18  418 127 HOH HOH A . 
C 3 HOH 19  419 58  HOH HOH A . 
C 3 HOH 20  420 265 HOH HOH A . 
C 3 HOH 21  421 179 HOH HOH A . 
C 3 HOH 22  422 2   HOH HOH A . 
C 3 HOH 23  423 76  HOH HOH A . 
C 3 HOH 24  424 185 HOH HOH A . 
C 3 HOH 25  425 98  HOH HOH A . 
C 3 HOH 26  426 153 HOH HOH A . 
C 3 HOH 27  427 259 HOH HOH A . 
C 3 HOH 28  428 12  HOH HOH A . 
C 3 HOH 29  429 182 HOH HOH A . 
C 3 HOH 30  430 122 HOH HOH A . 
C 3 HOH 31  431 9   HOH HOH A . 
C 3 HOH 32  432 20  HOH HOH A . 
C 3 HOH 33  433 97  HOH HOH A . 
C 3 HOH 34  434 72  HOH HOH A . 
C 3 HOH 35  435 157 HOH HOH A . 
C 3 HOH 36  436 267 HOH HOH A . 
C 3 HOH 37  437 99  HOH HOH A . 
C 3 HOH 38  438 32  HOH HOH A . 
C 3 HOH 39  439 120 HOH HOH A . 
C 3 HOH 40  440 163 HOH HOH A . 
C 3 HOH 41  441 172 HOH HOH A . 
C 3 HOH 42  442 36  HOH HOH A . 
C 3 HOH 43  443 174 HOH HOH A . 
C 3 HOH 44  444 133 HOH HOH A . 
C 3 HOH 45  445 15  HOH HOH A . 
C 3 HOH 46  446 105 HOH HOH A . 
C 3 HOH 47  447 83  HOH HOH A . 
C 3 HOH 48  448 107 HOH HOH A . 
C 3 HOH 49  449 31  HOH HOH A . 
C 3 HOH 50  450 64  HOH HOH A . 
C 3 HOH 51  451 177 HOH HOH A . 
C 3 HOH 52  452 34  HOH HOH A . 
C 3 HOH 53  453 75  HOH HOH A . 
C 3 HOH 54  454 144 HOH HOH A . 
C 3 HOH 55  455 110 HOH HOH A . 
C 3 HOH 56  456 23  HOH HOH A . 
C 3 HOH 57  457 84  HOH HOH A . 
C 3 HOH 58  458 209 HOH HOH A . 
C 3 HOH 59  459 6   HOH HOH A . 
C 3 HOH 60  460 74  HOH HOH A . 
C 3 HOH 61  461 91  HOH HOH A . 
C 3 HOH 62  462 16  HOH HOH A . 
C 3 HOH 63  463 47  HOH HOH A . 
C 3 HOH 64  464 48  HOH HOH A . 
C 3 HOH 65  465 230 HOH HOH A . 
C 3 HOH 66  466 90  HOH HOH A . 
C 3 HOH 67  467 29  HOH HOH A . 
C 3 HOH 68  468 131 HOH HOH A . 
C 3 HOH 69  469 240 HOH HOH A . 
C 3 HOH 70  470 145 HOH HOH A . 
C 3 HOH 71  471 63  HOH HOH A . 
C 3 HOH 72  472 35  HOH HOH A . 
C 3 HOH 73  473 169 HOH HOH A . 
C 3 HOH 74  474 8   HOH HOH A . 
C 3 HOH 75  475 18  HOH HOH A . 
C 3 HOH 76  476 67  HOH HOH A . 
C 3 HOH 77  477 68  HOH HOH A . 
C 3 HOH 78  478 39  HOH HOH A . 
C 3 HOH 79  479 55  HOH HOH A . 
C 3 HOH 80  480 7   HOH HOH A . 
C 3 HOH 81  481 146 HOH HOH A . 
C 3 HOH 82  482 19  HOH HOH A . 
C 3 HOH 83  483 26  HOH HOH A . 
C 3 HOH 84  484 113 HOH HOH A . 
C 3 HOH 85  485 33  HOH HOH A . 
C 3 HOH 86  486 13  HOH HOH A . 
C 3 HOH 87  487 42  HOH HOH A . 
C 3 HOH 88  488 87  HOH HOH A . 
C 3 HOH 89  489 11  HOH HOH A . 
C 3 HOH 90  490 59  HOH HOH A . 
C 3 HOH 91  491 191 HOH HOH A . 
C 3 HOH 92  492 41  HOH HOH A . 
C 3 HOH 93  493 211 HOH HOH A . 
C 3 HOH 94  494 111 HOH HOH A . 
C 3 HOH 95  495 30  HOH HOH A . 
C 3 HOH 96  496 214 HOH HOH A . 
C 3 HOH 97  497 25  HOH HOH A . 
C 3 HOH 98  498 173 HOH HOH A . 
C 3 HOH 99  499 14  HOH HOH A . 
C 3 HOH 100 500 104 HOH HOH A . 
C 3 HOH 101 501 24  HOH HOH A . 
C 3 HOH 102 502 128 HOH HOH A . 
C 3 HOH 103 503 219 HOH HOH A . 
C 3 HOH 104 504 85  HOH HOH A . 
C 3 HOH 105 505 224 HOH HOH A . 
C 3 HOH 106 506 123 HOH HOH A . 
C 3 HOH 107 507 86  HOH HOH A . 
C 3 HOH 108 508 92  HOH HOH A . 
C 3 HOH 109 509 102 HOH HOH A . 
C 3 HOH 110 510 106 HOH HOH A . 
C 3 HOH 111 511 246 HOH HOH A . 
C 3 HOH 112 512 73  HOH HOH A . 
C 3 HOH 113 513 3   HOH HOH A . 
C 3 HOH 114 514 129 HOH HOH A . 
C 3 HOH 115 515 239 HOH HOH A . 
C 3 HOH 116 516 46  HOH HOH A . 
C 3 HOH 117 517 53  HOH HOH A . 
C 3 HOH 118 518 44  HOH HOH A . 
C 3 HOH 119 519 4   HOH HOH A . 
C 3 HOH 120 520 137 HOH HOH A . 
C 3 HOH 121 521 151 HOH HOH A . 
C 3 HOH 122 522 100 HOH HOH A . 
C 3 HOH 123 523 142 HOH HOH A . 
C 3 HOH 124 524 170 HOH HOH A . 
C 3 HOH 125 525 28  HOH HOH A . 
C 3 HOH 126 526 70  HOH HOH A . 
C 3 HOH 127 527 69  HOH HOH A . 
C 3 HOH 128 528 21  HOH HOH A . 
C 3 HOH 129 529 96  HOH HOH A . 
C 3 HOH 130 530 71  HOH HOH A . 
C 3 HOH 131 531 93  HOH HOH A . 
C 3 HOH 132 532 119 HOH HOH A . 
C 3 HOH 133 533 183 HOH HOH A . 
C 3 HOH 134 534 178 HOH HOH A . 
C 3 HOH 135 535 139 HOH HOH A . 
C 3 HOH 136 536 159 HOH HOH A . 
C 3 HOH 137 537 134 HOH HOH A . 
C 3 HOH 138 538 148 HOH HOH A . 
C 3 HOH 139 539 126 HOH HOH A . 
C 3 HOH 140 540 10  HOH HOH A . 
C 3 HOH 141 541 45  HOH HOH A . 
C 3 HOH 142 542 245 HOH HOH A . 
C 3 HOH 143 543 40  HOH HOH A . 
C 3 HOH 144 544 52  HOH HOH A . 
C 3 HOH 145 545 37  HOH HOH A . 
C 3 HOH 146 546 149 HOH HOH A . 
C 3 HOH 147 547 130 HOH HOH A . 
C 3 HOH 148 548 176 HOH HOH A . 
C 3 HOH 149 549 117 HOH HOH A . 
C 3 HOH 150 550 62  HOH HOH A . 
C 3 HOH 151 551 140 HOH HOH A . 
C 3 HOH 152 552 152 HOH HOH A . 
C 3 HOH 153 553 241 HOH HOH A . 
C 3 HOH 154 554 57  HOH HOH A . 
C 3 HOH 155 555 207 HOH HOH A . 
C 3 HOH 156 556 17  HOH HOH A . 
C 3 HOH 157 557 49  HOH HOH A . 
C 3 HOH 158 558 212 HOH HOH A . 
C 3 HOH 159 559 150 HOH HOH A . 
C 3 HOH 160 560 155 HOH HOH A . 
C 3 HOH 161 561 115 HOH HOH A . 
C 3 HOH 162 562 193 HOH HOH A . 
C 3 HOH 163 563 60  HOH HOH A . 
C 3 HOH 164 564 188 HOH HOH A . 
C 3 HOH 165 565 118 HOH HOH A . 
C 3 HOH 166 566 101 HOH HOH A . 
C 3 HOH 167 567 116 HOH HOH A . 
C 3 HOH 168 568 66  HOH HOH A . 
C 3 HOH 169 569 143 HOH HOH A . 
C 3 HOH 170 570 1   HOH HOH A . 
C 3 HOH 171 571 81  HOH HOH A . 
C 3 HOH 172 572 242 HOH HOH A . 
C 3 HOH 173 573 43  HOH HOH A . 
C 3 HOH 174 574 88  HOH HOH A . 
C 3 HOH 175 575 257 HOH HOH A . 
C 3 HOH 176 576 213 HOH HOH A . 
C 3 HOH 177 577 27  HOH HOH A . 
C 3 HOH 178 578 138 HOH HOH A . 
C 3 HOH 179 579 50  HOH HOH A . 
C 3 HOH 180 580 114 HOH HOH A . 
C 3 HOH 181 581 5   HOH HOH A . 
C 3 HOH 182 582 228 HOH HOH A . 
C 3 HOH 183 583 79  HOH HOH A . 
C 3 HOH 184 584 244 HOH HOH A . 
C 3 HOH 185 585 255 HOH HOH A . 
C 3 HOH 186 586 51  HOH HOH A . 
C 3 HOH 187 587 147 HOH HOH A . 
C 3 HOH 188 588 165 HOH HOH A . 
C 3 HOH 189 589 229 HOH HOH A . 
C 3 HOH 190 590 249 HOH HOH A . 
C 3 HOH 191 591 192 HOH HOH A . 
C 3 HOH 192 592 216 HOH HOH A . 
C 3 HOH 193 593 215 HOH HOH A . 
C 3 HOH 194 594 161 HOH HOH A . 
C 3 HOH 195 595 187 HOH HOH A . 
C 3 HOH 196 596 218 HOH HOH A . 
C 3 HOH 197 597 162 HOH HOH A . 
C 3 HOH 198 598 254 HOH HOH A . 
C 3 HOH 199 599 56  HOH HOH A . 
C 3 HOH 200 600 252 HOH HOH A . 
C 3 HOH 201 601 231 HOH HOH A . 
C 3 HOH 202 602 233 HOH HOH A . 
C 3 HOH 203 603 221 HOH HOH A . 
C 3 HOH 204 604 217 HOH HOH A . 
C 3 HOH 205 605 232 HOH HOH A . 
C 3 HOH 206 606 186 HOH HOH A . 
C 3 HOH 207 607 262 HOH HOH A . 
C 3 HOH 208 608 168 HOH HOH A . 
C 3 HOH 209 609 167 HOH HOH A . 
C 3 HOH 210 610 95  HOH HOH A . 
C 3 HOH 211 611 141 HOH HOH A . 
C 3 HOH 212 612 80  HOH HOH A . 
C 3 HOH 213 613 261 HOH HOH A . 
C 3 HOH 214 614 235 HOH HOH A . 
C 3 HOH 215 615 260 HOH HOH A . 
C 3 HOH 216 616 268 HOH HOH A . 
C 3 HOH 217 617 253 HOH HOH A . 
C 3 HOH 218 618 190 HOH HOH A . 
C 3 HOH 219 619 205 HOH HOH A . 
C 3 HOH 220 620 258 HOH HOH A . 
C 3 HOH 221 621 65  HOH HOH A . 
C 3 HOH 222 622 156 HOH HOH A . 
C 3 HOH 223 623 82  HOH HOH A . 
C 3 HOH 224 624 180 HOH HOH A . 
C 3 HOH 225 625 112 HOH HOH A . 
C 3 HOH 226 626 175 HOH HOH A . 
C 3 HOH 227 627 196 HOH HOH A . 
C 3 HOH 228 628 263 HOH HOH A . 
C 3 HOH 229 629 198 HOH HOH A . 
C 3 HOH 230 630 160 HOH HOH A . 
C 3 HOH 231 631 227 HOH HOH A . 
C 3 HOH 232 632 136 HOH HOH A . 
C 3 HOH 233 633 208 HOH HOH A . 
C 3 HOH 234 634 248 HOH HOH A . 
C 3 HOH 235 635 77  HOH HOH A . 
C 3 HOH 236 636 89  HOH HOH A . 
C 3 HOH 237 637 197 HOH HOH A . 
C 3 HOH 238 638 264 HOH HOH A . 
C 3 HOH 239 639 103 HOH HOH A . 
C 3 HOH 240 640 135 HOH HOH A . 
C 3 HOH 241 641 194 HOH HOH A . 
C 3 HOH 242 642 195 HOH HOH A . 
C 3 HOH 243 643 78  HOH HOH A . 
C 3 HOH 244 644 237 HOH HOH A . 
C 3 HOH 245 645 171 HOH HOH A . 
C 3 HOH 246 646 94  HOH HOH A . 
C 3 HOH 247 647 125 HOH HOH A . 
C 3 HOH 248 648 210 HOH HOH A . 
C 3 HOH 249 649 238 HOH HOH A . 
C 3 HOH 250 650 236 HOH HOH A . 
C 3 HOH 251 651 164 HOH HOH A . 
C 3 HOH 252 652 243 HOH HOH A . 
C 3 HOH 253 653 220 HOH HOH A . 
C 3 HOH 254 654 223 HOH HOH A . 
C 3 HOH 255 655 189 HOH HOH A . 
C 3 HOH 256 656 234 HOH HOH A . 
C 3 HOH 257 657 158 HOH HOH A . 
C 3 HOH 258 658 256 HOH HOH A . 
C 3 HOH 259 659 222 HOH HOH A . 
C 3 HOH 260 660 202 HOH HOH A . 
C 3 HOH 261 661 251 HOH HOH A . 
C 3 HOH 262 662 154 HOH HOH A . 
C 3 HOH 263 663 108 HOH HOH A . 
C 3 HOH 264 664 199 HOH HOH A . 
C 3 HOH 265 665 166 HOH HOH A . 
C 3 HOH 266 666 201 HOH HOH A . 
C 3 HOH 267 667 247 HOH HOH A . 
C 3 HOH 268 668 225 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             586913.668 
_cell.length_a           65.880 
_cell.length_b           89.240 
_cell.length_c           99.830 
_cell.angle_beta         90.000 
_cell.angle_gamma        90.000 
_cell.angle_alpha        90.000 
_cell.entry_id           7HBL 
_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                         7HBL 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
# 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
_exptl.entry_id          7HBL 
# 
_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   2024-01-20 
_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                     7HBL 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.d_resolution_low             31.180 
_reflns.d_resolution_high            1.650 
_reflns.number_obs                   35752 
_reflns.number_all                   ? 
_reflns.percent_possible_obs         100.000 
_reflns.pdbx_Rmerge_I_obs            0.078 
_reflns.pdbx_Rsym_value              ? 
_reflns.pdbx_netI_over_sigmaI        17.700 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              12.600 
_reflns.pdbx_Rrim_I_all              0.081 
_reflns.pdbx_Rpim_I_all              0.023 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_netI_over_av_sigmaI     ? 
_reflns.pdbx_number_measured_all     449752 
_reflns.pdbx_scaling_rejects         42 
_reflns.pdbx_chi_squared             ? 
_reflns.Rmerge_F_all                 ? 
_reflns.Rmerge_F_obs                 ? 
_reflns.observed_criterion_F_max     ? 
_reflns.observed_criterion_F_min     ? 
_reflns.observed_criterion_I_max     ? 
_reflns.observed_criterion_I_min     ? 
_reflns.pdbx_d_res_high_opt          ? 
_reflns.pdbx_d_res_low_opt           ? 
_reflns.details                      ? 
# 
loop_
_reflns_shell.pdbx_diffrn_id 
_reflns_shell.pdbx_ordinal 
_reflns_shell.d_res_high 
_reflns_shell.d_res_low 
_reflns_shell.number_measured_obs 
_reflns_shell.number_measured_all 
_reflns_shell.number_unique_obs 
_reflns_shell.pdbx_rejects 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.pdbx_chi_squared 
_reflns_shell.pdbx_redundancy 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.number_possible 
_reflns_shell.number_unique_all 
_reflns_shell.Rmerge_F_all 
_reflns_shell.Rmerge_F_obs 
_reflns_shell.Rmerge_I_all 
_reflns_shell.meanI_over_sigI_all 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_Rpim_I_all 
_reflns_shell.pdbx_CC_half 
1 1 1.650 1.690  ? 28243 2624 ? 1.538 ? ? ? 10.800 ? 1.600  ? ? ? ? ? ? 100.000 1.615 0.490 0.624 
1 2 7.380 31.180 ? 4442  451  ? 0.029 ? ? ? 9.800  ? 46.400 ? ? ? ? ? ? 98.500  0.031 0.010 0.999 
# 
_refine.entry_id                                 7HBL 
_refine.pdbx_method_to_determine_struct          'FOURIER SYNTHESIS' 
_refine.ls_percent_reflns_R_free                 4.75 
_refine.pdbx_overall_phase_error                 19.4252 
_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                          0.1751 
_refine.B_iso_mean                               33.28 
_refine.ls_number_reflns_R_free                  1698 
_refine.ls_percent_reflns_obs                    99.96 
_refine.ls_R_factor_R_work                       0.1741 
_refine.pdbx_solvent_shrinkage_radii             0.9000 
_refine.ls_d_res_high                            1.65 
_refine.ls_number_reflns_obs                     35742 
_refine.pdbx_ls_sigma_F                          1.35 
_refine.ls_number_reflns_R_work                  34044 
_refine.ls_d_res_low                             31.18 
_refine.pdbx_stereochemistry_target_values       'GeoStd + Monomer Library + CDL v1.2' 
_refine.ls_R_factor_R_free                       0.1956 
_refine.overall_SU_ML                            0.2083 
_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         11 
_refine_hist.number_atoms_solvent             268 
_refine_hist.number_atoms_total               1923 
_refine_hist.d_res_high                       1.65 
_refine_hist.d_res_low                        31.18 
# 
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           1681 0.0048 ? ? ? 
'X-RAY DIFFRACTION' f_angle_d          2266 0.8475 ? ? ? 
'X-RAY DIFFRACTION' f_chiral_restr     259  0.0532 ? ? ? 
'X-RAY DIFFRACTION' f_plane_restr      289  0.0062 ? ? ? 
'X-RAY DIFFRACTION' f_dihedral_angle_d 223  5.4811 ? ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.R_factor_R_free 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.R_factor_all 
'X-RAY DIFFRACTION' 1.65 1.70  2802 0.2863 100.00 0.3192 140 . . . . . 
'X-RAY DIFFRACTION' 1.70 1.75  2766 0.2648 99.90  0.2853 163 . . . . . 
'X-RAY DIFFRACTION' 1.75 1.82  2826 0.2320 100.00 0.2446 137 . . . . . 
'X-RAY DIFFRACTION' 1.82 1.89  2785 0.2073 100.00 0.2615 130 . . . . . 
'X-RAY DIFFRACTION' 1.89 1.97  2833 0.1848 99.93  0.2060 131 . . . . . 
'X-RAY DIFFRACTION' 1.97 2.08  2829 0.1897 100.00 0.2251 127 . . . . . 
'X-RAY DIFFRACTION' 2.08 2.21  2805 0.1679 100.00 0.1857 155 . . . . . 
'X-RAY DIFFRACTION' 2.21 2.38  2824 0.1759 99.97  0.2171 150 . . . . . 
'X-RAY DIFFRACTION' 2.38 2.62  2853 0.1786 100.00 0.2259 119 . . . . . 
'X-RAY DIFFRACTION' 2.62 3.00  2869 0.1856 100.00 0.2385 148 . . . . . 
'X-RAY DIFFRACTION' 3.00 3.78  2855 0.1585 100.00 0.1813 152 . . . . . 
'X-RAY DIFFRACTION' 3.78 31.18 2997 0.1537 99.75  0.1450 146 . . . . . 
# 
_struct.entry_id                  7HBL 
_struct.title                     'PanDDA analysis group deposition -- Crystal structure of HSP90N in complex with Fr12214' 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_details        ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7HBL 
_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              7HBL 
_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 7HBL MET A 1   ? UNP P07900 ? ? 'initiating methionine' 8   1 
1 7HBL LEU A 230 ? UNP P07900 ? ? 'expression tag'        237 2 
1 7HBL GLU A 231 ? UNP P07900 ? ? 'expression tag'        238 3 
1 7HBL HIS A 232 ? UNP P07900 ? ? 'expression tag'        239 4 
1 7HBL HIS A 233 ? UNP P07900 ? ? 'expression tag'        240 5 
1 7HBL HIS A 234 ? UNP P07900 ? ? 'expression tag'        241 6 
1 7HBL HIS A 235 ? UNP P07900 ? ? 'expression tag'        242 7 
1 7HBL HIS A 236 ? UNP P07900 ? ? 'expression tag'        243 8 
1 7HBL 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 ILE A 103 ? ALA A 117 ? ILE A 110 ALA A 124 1 ? 15 
HELX_P HELX_P6 AA6 ASP A 120 ? GLY A 128 ? ASP A 127 GLY A 135 5 ? 9  
HELX_P HELX_P7 AA7 VAL A 129 ? LEU A 136 ? VAL A 136 LEU A 143 5 ? 8  
HELX_P HELX_P8 AA8 GLN A 187 ? LEU A 191 ? GLN A 194 LEU A 198 5 ? 5  
HELX_P HELX_P9 AA9 GLU A 192 ? SER A 204 ? GLU A 199 SER A 211 1 ? 13 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_sheet.id               AA1 
_struct_sheet.type             ? 
_struct_sheet.number_strands   8 
_struct_sheet.details          ? 
# 
loop_
_struct_sheet_order.sheet_id 
_struct_sheet_order.range_id_1 
_struct_sheet_order.range_id_2 
_struct_sheet_order.offset 
_struct_sheet_order.sense 
AA1 1 2 ? anti-parallel 
AA1 2 3 ? anti-parallel 
AA1 3 4 ? anti-parallel 
AA1 4 5 ? anti-parallel 
AA1 5 6 ? anti-parallel 
AA1 6 7 ? anti-parallel 
AA1 7 8 ? parallel      
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 VAL A 10  ? ALA A 14  ? VAL A 17  ALA A 21  
AA1 2 SER A 162 ? THR A 167 ? SER A 169 THR A 174 
AA1 3 TYR A 153 ? SER A 157 ? TYR A 160 SER A 164 
AA1 4 ALA A 138 ? LYS A 146 ? ALA A 145 LYS A 153 
AA1 5 GLY A 176 ? LEU A 183 ? GLY A 183 LEU A 190 
AA1 6 THR A 81  ? ASP A 86  ? THR A 88  ASP A 93  
AA1 7 ILE A 71  ? ASN A 76  ? ILE A 78  ASN A 83  
AA1 8 ILE A 211 ? LEU A 213 ? ILE A 218 LEU A 220 
# 
loop_
_pdbx_struct_sheet_hbond.sheet_id 
_pdbx_struct_sheet_hbond.range_id_1 
_pdbx_struct_sheet_hbond.range_id_2 
_pdbx_struct_sheet_hbond.range_1_label_atom_id 
_pdbx_struct_sheet_hbond.range_1_label_comp_id 
_pdbx_struct_sheet_hbond.range_1_label_asym_id 
_pdbx_struct_sheet_hbond.range_1_label_seq_id 
_pdbx_struct_sheet_hbond.range_1_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_1_auth_atom_id 
_pdbx_struct_sheet_hbond.range_1_auth_comp_id 
_pdbx_struct_sheet_hbond.range_1_auth_asym_id 
_pdbx_struct_sheet_hbond.range_1_auth_seq_id 
_pdbx_struct_sheet_hbond.range_2_label_atom_id 
_pdbx_struct_sheet_hbond.range_2_label_comp_id 
_pdbx_struct_sheet_hbond.range_2_label_asym_id 
_pdbx_struct_sheet_hbond.range_2_label_seq_id 
_pdbx_struct_sheet_hbond.range_2_PDB_ins_code 
_pdbx_struct_sheet_hbond.range_2_auth_atom_id 
_pdbx_struct_sheet_hbond.range_2_auth_comp_id 
_pdbx_struct_sheet_hbond.range_2_auth_asym_id 
_pdbx_struct_sheet_hbond.range_2_auth_seq_id 
AA1 1 2 N PHE A 13  ? N PHE A 20  O PHE A 163 ? O PHE A 170 
AA1 2 3 O ARG A 166 ? O ARG A 173 N ALA A 154 ? N ALA A 161 
AA1 3 4 O TRP A 155 ? O TRP A 162 N VAL A 143 ? N VAL A 150 
AA1 4 5 N THR A 142 ? N THR A 149 O ILE A 180 ? O ILE A 187 
AA1 5 6 O VAL A 179 ? O VAL A 186 N ILE A 84  ? N ILE A 91  
AA1 6 7 O THR A 83  ? O THR A 90  N ILE A 74  ? N ILE A 81  
AA1 7 8 N LEU A 73  ? N LEU A 80  O THR A 212 ? O THR A 219 
# 
_pdbx_entry_details.entry_id                   7HBL 
_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 HOH 614 ? ? O A HOH 615 ? ? 1.95 
2 1 NZ  A LYS 204 ? ? O A HOH 401 ? ? 2.09 
3 1 O   A ALA 126 ? ? O A HOH 402 ? ? 2.15 
4 1 OE1 A GLU 158 ? ? O A HOH 403 ? ? 2.19 
# 
loop_
_pdbx_validate_symm_contact.id 
_pdbx_validate_symm_contact.PDB_model_num 
_pdbx_validate_symm_contact.auth_atom_id_1 
_pdbx_validate_symm_contact.auth_asym_id_1 
_pdbx_validate_symm_contact.auth_comp_id_1 
_pdbx_validate_symm_contact.auth_seq_id_1 
_pdbx_validate_symm_contact.PDB_ins_code_1 
_pdbx_validate_symm_contact.label_alt_id_1 
_pdbx_validate_symm_contact.site_symmetry_1 
_pdbx_validate_symm_contact.auth_atom_id_2 
_pdbx_validate_symm_contact.auth_asym_id_2 
_pdbx_validate_symm_contact.auth_comp_id_2 
_pdbx_validate_symm_contact.auth_seq_id_2 
_pdbx_validate_symm_contact.PDB_ins_code_2 
_pdbx_validate_symm_contact.label_alt_id_2 
_pdbx_validate_symm_contact.site_symmetry_2 
_pdbx_validate_symm_contact.dist 
1 1 O A HOH 592 ? ? 1_555 O A HOH 601 ? ? 2_555 2.07 
2 1 O A HOH 632 ? ? 1_555 O A HOH 632 ? ? 2_555 2.13 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             CB 
_pdbx_validate_rmsd_angle.auth_asym_id_1             A 
_pdbx_validate_rmsd_angle.auth_comp_id_1             LEU 
_pdbx_validate_rmsd_angle.auth_seq_id_1              32 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CG 
_pdbx_validate_rmsd_angle.auth_asym_id_2             A 
_pdbx_validate_rmsd_angle.auth_comp_id_2             LEU 
_pdbx_validate_rmsd_angle.auth_seq_id_2              32 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             CD2 
_pdbx_validate_rmsd_angle.auth_asym_id_3             A 
_pdbx_validate_rmsd_angle.auth_comp_id_3             LEU 
_pdbx_validate_rmsd_angle.auth_seq_id_3              32 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                95.64 
_pdbx_validate_rmsd_angle.angle_target_value         111.00 
_pdbx_validate_rmsd_angle.angle_deviation            -15.36 
_pdbx_validate_rmsd_angle.angle_standard_deviation   1.70 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 TYR A 38  ? ? -160.20 110.89  
2 1 THR A 94  ? ? -107.13 40.09   
3 1 ALA A 166 ? ? 62.08   -144.51 
# 
_pdbx_struct_special_symmetry.id              1 
_pdbx_struct_special_symmetry.PDB_model_num   1 
_pdbx_struct_special_symmetry.auth_asym_id    A 
_pdbx_struct_special_symmetry.auth_comp_id    HOH 
_pdbx_struct_special_symmetry.auth_seq_id     649 
_pdbx_struct_special_symmetry.PDB_ins_code    ? 
_pdbx_struct_special_symmetry.label_asym_id   C 
_pdbx_struct_special_symmetry.label_comp_id   HOH 
_pdbx_struct_special_symmetry.label_seq_id    . 
# 
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 12.3473588626  -17.930784239  -18.7359891435 0.202557481737 0.239963528452 0.257420409004 
0.0127205267424    -0.0403853690805  -0.0256288270845  3.06076933351 1.38997515076 6.26214262788 -0.863197341056 -3.70945238765  
0.102101421404  0.16340467078    -0.213354404439 -0.0377492272347 0.0325742653578 -0.134531853324  -0.103561589318  
-0.0746248221448 0.184998971255  -0.0261777892448 
2 ? 'X-RAY DIFFRACTION' refined -5.18412912268 -6.26862731587 -20.9190904884 0.205065704004 0.18895008769  0.243171652035 
-0.000785718159643 -0.00279691343351 -0.0361854881141  2.35643001388 6.28935616807 9.80638935779 -2.65771263724  3.60355310648   
-6.31195900195  -0.0734510736842 0.11715431918   0.154038965582   0.100042903107  -0.107524262158  0.00223332992291 
-0.383728435286  0.282118199073  0.153357474227   
3 ? 'X-RAY DIFFRACTION' refined -10.1360992909 -14.9578888397 -25.1036498751 0.182695251711 0.190493942244 0.225510230768 
-0.00824713531344  -0.0523839848854  -0.049332452897   1.84558751368 4.18675936523 4.51493597652 -0.429447665497 0.0243257459128 
-2.3910500294   0.0543419033986  0.115406055336  -0.140040911767  -0.222640639025 0.0931799551021  0.350242546499   0.111834871405 
-0.303482511648 -0.197762270059  
4 ? 'X-RAY DIFFRACTION' refined 10.5311548401  -6.96887164331 -18.0557148455 0.199496775823 0.277399652804 0.289534051409 
-0.0260664852694   0.0190979084575   -0.0284061379781  5.34863557553 3.24548342463 6.58081556893 0.604753308753  -0.284099996846 
1.73143039643   0.163005879898   -0.677859654532 0.41542066215    0.132516331944  -0.103013875821  -0.168910838349  
-0.338942220808  0.603275700483  -0.0495294939892 
5 ? 'X-RAY DIFFRACTION' refined 0.826536974049 -19.2735326551 -27.8508335946 0.201005166096 0.183058951651 0.222071970084 
0.00106921546474   -0.0183649666511  -0.0427727266776  3.04570054292 2.15012330578 2.77429605088 -1.31293867196  0.477271444002  
-0.427431936504 0.211183836168   0.304746301977  -0.316161411395  -0.246047155341 -0.107701642487  0.18660449128    0.273865848386 
0.024284170909  -0.12404509059   
6 ? 'X-RAY DIFFRACTION' refined -2.61559208222 -23.6372134226 -13.6464899785 0.183210868436 0.133099921638 0.207114866336 
-0.000477351908228 -0.0170024994319  -0.00158071812694 4.02843255102 4.38615154776 6.3178328972  -0.729169338643 -0.137458340346 
-1.99648874543  -0.0249608727728 -0.268770360184 -0.339741794871  0.139696965644  -0.0473174917638 -0.0558853594577 0.492486746643 
0.240618913903  -0.0291883749815 
7 ? 'X-RAY DIFFRACTION' refined -12.1147411292 -14.2011380644 -10.4076360365 0.149374874904 0.216673252531 0.172770898188 
0.00533816102635   0.0154960648725   -0.0217969014413  3.83840965644 3.37487446848 5.31864838251 -0.914981647404 0.74623463933   
-1.50069526955  0.0209591730309  -0.295378625694 -0.114782372039  0.261953521878  -0.0148684375902 0.0515655039329  
-0.142566996327  -0.142659349246 0.0239022501397  
# 
loop_
_pdbx_refine_tls_group.id 
_pdbx_refine_tls_group.refine_tls_id 
_pdbx_refine_tls_group.pdbx_refine_id 
_pdbx_refine_tls_group.beg_auth_asym_id 
_pdbx_refine_tls_group.beg_auth_seq_id 
_pdbx_refine_tls_group.beg_label_asym_id 
_pdbx_refine_tls_group.beg_label_seq_id 
_pdbx_refine_tls_group.end_auth_asym_id 
_pdbx_refine_tls_group.end_auth_seq_id 
_pdbx_refine_tls_group.end_label_asym_id 
_pdbx_refine_tls_group.end_label_seq_id 
_pdbx_refine_tls_group.selection 
_pdbx_refine_tls_group.selection_details 
1 1 'X-RAY DIFFRACTION' A 16  A 1   A 40  A 25  . 
;chain 'A' and (resid 16 through 40 )
;
2 2 'X-RAY DIFFRACTION' A 41  A 26  A 65  A 50  . 
;chain 'A' and (resid 41 through 65 )
;
3 3 'X-RAY DIFFRACTION' A 66  A 51  A 99  A 84  . 
;chain 'A' and (resid 66 through 99 )
;
4 4 'X-RAY DIFFRACTION' A 100 A 85  A 136 A 121 . 
;chain 'A' and (resid 100 through 136 )
;
5 5 'X-RAY DIFFRACTION' A 137 A 122 A 182 A 167 . 
;chain 'A' and (resid 137 through 182 )
;
6 6 'X-RAY DIFFRACTION' A 183 A 168 A 199 A 184 . 
;chain 'A' and (resid 183 through 199 )
;
7 7 'X-RAY DIFFRACTION' A 200 A 185 A 224 A 209 . 
;chain 'A' and (resid 200 through 224 )
;
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       668 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   5.91 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
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 
9TW C1   C  Y N 1   
9TW C2   C  Y N 2   
9TW C3   C  Y N 3   
9TW C4   C  Y N 4   
9TW C5   C  Y N 5   
9TW C6   C  Y N 6   
9TW CL1  CL N N 7   
9TW F1   F  N N 8   
9TW C7   C  N N 9   
9TW O1   O  N N 10  
9TW N1   N  N N 11  
9TW H1   H  N N 12  
9TW H2   H  N N 13  
9TW H3   H  N N 14  
9TW H4   H  N N 15  
9TW H5   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 
9TW C4  C5   doub Y N 1   
9TW C4  C3   sing Y N 2   
9TW C5  C6   sing Y N 3   
9TW F1  C3   sing N N 4   
9TW C3  C2   doub Y N 5   
9TW N1  C7   sing N N 6   
9TW C6  C7   sing N N 7   
9TW C6  C1   doub Y N 8   
9TW C7  O1   doub N N 9   
9TW C2  C1   sing Y N 10  
9TW C2  CL1  sing N N 11  
9TW C1  H1   sing N N 12  
9TW C4  H2   sing N N 13  
9TW C5  H3   sing N N 14  
9TW N1  H4   sing N N 15  
9TW N1  H5   sing N N 16  
ALA N   CA   sing N N 17  
ALA N   H    sing N N 18  
ALA N   H2   sing N N 19  
ALA CA  C    sing N N 20  
ALA CA  CB   sing N N 21  
ALA CA  HA   sing N N 22  
ALA C   O    doub N N 23  
ALA C   OXT  sing N N 24  
ALA CB  HB1  sing N N 25  
ALA CB  HB2  sing N N 26  
ALA CB  HB3  sing N N 27  
ALA OXT HXT  sing N N 28  
ARG N   CA   sing N N 29  
ARG N   H    sing N N 30  
ARG N   H2   sing N N 31  
ARG CA  C    sing N N 32  
ARG CA  CB   sing N N 33  
ARG CA  HA   sing N N 34  
ARG C   O    doub N N 35  
ARG C   OXT  sing N N 36  
ARG CB  CG   sing N N 37  
ARG CB  HB2  sing N N 38  
ARG CB  HB3  sing N N 39  
ARG CG  CD   sing N N 40  
ARG CG  HG2  sing N N 41  
ARG CG  HG3  sing N N 42  
ARG CD  NE   sing N N 43  
ARG CD  HD2  sing N N 44  
ARG CD  HD3  sing N N 45  
ARG NE  CZ   sing N N 46  
ARG NE  HE   sing N N 47  
ARG CZ  NH1  sing N N 48  
ARG CZ  NH2  doub N N 49  
ARG NH1 HH11 sing N N 50  
ARG NH1 HH12 sing N N 51  
ARG NH2 HH21 sing N N 52  
ARG NH2 HH22 sing N N 53  
ARG OXT HXT  sing N N 54  
ASN N   CA   sing N N 55  
ASN N   H    sing N N 56  
ASN N   H2   sing N N 57  
ASN CA  C    sing N N 58  
ASN CA  CB   sing N N 59  
ASN CA  HA   sing N N 60  
ASN C   O    doub N N 61  
ASN C   OXT  sing N N 62  
ASN CB  CG   sing N N 63  
ASN CB  HB2  sing N N 64  
ASN CB  HB3  sing N N 65  
ASN CG  OD1  doub N N 66  
ASN CG  ND2  sing N N 67  
ASN ND2 HD21 sing N N 68  
ASN ND2 HD22 sing N N 69  
ASN OXT HXT  sing N N 70  
ASP N   CA   sing N N 71  
ASP N   H    sing N N 72  
ASP N   H2   sing N N 73  
ASP CA  C    sing N N 74  
ASP CA  CB   sing N N 75  
ASP CA  HA   sing N N 76  
ASP C   O    doub N N 77  
ASP C   OXT  sing N N 78  
ASP CB  CG   sing N N 79  
ASP CB  HB2  sing N N 80  
ASP CB  HB3  sing N N 81  
ASP CG  OD1  doub N N 82  
ASP CG  OD2  sing N N 83  
ASP OD2 HD2  sing N N 84  
ASP OXT HXT  sing N N 85  
GLN N   CA   sing N N 86  
GLN N   H    sing N N 87  
GLN N   H2   sing N N 88  
GLN CA  C    sing N N 89  
GLN CA  CB   sing N N 90  
GLN CA  HA   sing N N 91  
GLN C   O    doub N N 92  
GLN C   OXT  sing N N 93  
GLN CB  CG   sing N N 94  
GLN CB  HB2  sing N N 95  
GLN CB  HB3  sing N N 96  
GLN CG  CD   sing N N 97  
GLN CG  HG2  sing N N 98  
GLN CG  HG3  sing N N 99  
GLN CD  OE1  doub N N 100 
GLN CD  NE2  sing N N 101 
GLN NE2 HE21 sing N N 102 
GLN NE2 HE22 sing N N 103 
GLN OXT HXT  sing N N 104 
GLU N   CA   sing N N 105 
GLU N   H    sing N N 106 
GLU N   H2   sing N N 107 
GLU CA  C    sing N N 108 
GLU CA  CB   sing N N 109 
GLU CA  HA   sing N N 110 
GLU C   O    doub N N 111 
GLU C   OXT  sing N N 112 
GLU CB  CG   sing N N 113 
GLU CB  HB2  sing N N 114 
GLU CB  HB3  sing N N 115 
GLU CG  CD   sing N N 116 
GLU CG  HG2  sing N N 117 
GLU CG  HG3  sing N N 118 
GLU CD  OE1  doub N N 119 
GLU CD  OE2  sing N N 120 
GLU OE2 HE2  sing N N 121 
GLU OXT HXT  sing N N 122 
GLY N   CA   sing N N 123 
GLY N   H    sing N N 124 
GLY N   H2   sing N N 125 
GLY CA  C    sing N N 126 
GLY CA  HA2  sing N N 127 
GLY CA  HA3  sing N N 128 
GLY C   O    doub N N 129 
GLY C   OXT  sing N N 130 
GLY OXT HXT  sing N N 131 
HIS N   CA   sing N N 132 
HIS N   H    sing N N 133 
HIS N   H2   sing N N 134 
HIS CA  C    sing N N 135 
HIS CA  CB   sing N N 136 
HIS CA  HA   sing N N 137 
HIS C   O    doub N N 138 
HIS C   OXT  sing N N 139 
HIS CB  CG   sing N N 140 
HIS CB  HB2  sing N N 141 
HIS CB  HB3  sing N N 142 
HIS CG  ND1  sing Y N 143 
HIS CG  CD2  doub Y N 144 
HIS ND1 CE1  doub Y N 145 
HIS ND1 HD1  sing N N 146 
HIS CD2 NE2  sing Y N 147 
HIS CD2 HD2  sing N N 148 
HIS CE1 NE2  sing Y N 149 
HIS CE1 HE1  sing N N 150 
HIS NE2 HE2  sing N N 151 
HIS OXT HXT  sing N N 152 
HOH O   H1   sing N N 153 
HOH O   H2   sing N N 154 
ILE N   CA   sing N N 155 
ILE N   H    sing N N 156 
ILE N   H2   sing N N 157 
ILE CA  C    sing N N 158 
ILE CA  CB   sing N N 159 
ILE CA  HA   sing N N 160 
ILE C   O    doub N N 161 
ILE C   OXT  sing N N 162 
ILE CB  CG1  sing N N 163 
ILE CB  CG2  sing N N 164 
ILE CB  HB   sing N N 165 
ILE CG1 CD1  sing N N 166 
ILE CG1 HG12 sing N N 167 
ILE CG1 HG13 sing N N 168 
ILE CG2 HG21 sing N N 169 
ILE CG2 HG22 sing N N 170 
ILE CG2 HG23 sing N N 171 
ILE CD1 HD11 sing N N 172 
ILE CD1 HD12 sing N N 173 
ILE CD1 HD13 sing N N 174 
ILE OXT HXT  sing N N 175 
LEU N   CA   sing N N 176 
LEU N   H    sing N N 177 
LEU N   H2   sing N N 178 
LEU CA  C    sing N N 179 
LEU CA  CB   sing N N 180 
LEU CA  HA   sing N N 181 
LEU C   O    doub N N 182 
LEU C   OXT  sing N N 183 
LEU CB  CG   sing N N 184 
LEU CB  HB2  sing N N 185 
LEU CB  HB3  sing N N 186 
LEU CG  CD1  sing N N 187 
LEU CG  CD2  sing N N 188 
LEU CG  HG   sing N N 189 
LEU CD1 HD11 sing N N 190 
LEU CD1 HD12 sing N N 191 
LEU CD1 HD13 sing N N 192 
LEU CD2 HD21 sing N N 193 
LEU CD2 HD22 sing N N 194 
LEU CD2 HD23 sing N N 195 
LEU OXT HXT  sing N N 196 
LYS N   CA   sing N N 197 
LYS N   H    sing N N 198 
LYS N   H2   sing N N 199 
LYS CA  C    sing N N 200 
LYS CA  CB   sing N N 201 
LYS CA  HA   sing N N 202 
LYS C   O    doub N N 203 
LYS C   OXT  sing N N 204 
LYS CB  CG   sing N N 205 
LYS CB  HB2  sing N N 206 
LYS CB  HB3  sing N N 207 
LYS CG  CD   sing N N 208 
LYS CG  HG2  sing N N 209 
LYS CG  HG3  sing N N 210 
LYS CD  CE   sing N N 211 
LYS CD  HD2  sing N N 212 
LYS CD  HD3  sing N N 213 
LYS CE  NZ   sing N N 214 
LYS CE  HE2  sing N N 215 
LYS CE  HE3  sing N N 216 
LYS NZ  HZ1  sing N N 217 
LYS NZ  HZ2  sing N N 218 
LYS NZ  HZ3  sing N N 219 
LYS OXT HXT  sing N N 220 
MET N   CA   sing N N 221 
MET N   H    sing N N 222 
MET N   H2   sing N N 223 
MET CA  C    sing N N 224 
MET CA  CB   sing N N 225 
MET CA  HA   sing N N 226 
MET C   O    doub N N 227 
MET C   OXT  sing N N 228 
MET CB  CG   sing N N 229 
MET CB  HB2  sing N N 230 
MET CB  HB3  sing N N 231 
MET CG  SD   sing N N 232 
MET CG  HG2  sing N N 233 
MET CG  HG3  sing N N 234 
MET SD  CE   sing N N 235 
MET CE  HE1  sing N N 236 
MET CE  HE2  sing N N 237 
MET CE  HE3  sing N N 238 
MET OXT HXT  sing N N 239 
PHE N   CA   sing N N 240 
PHE N   H    sing N N 241 
PHE N   H2   sing N N 242 
PHE CA  C    sing N N 243 
PHE CA  CB   sing N N 244 
PHE CA  HA   sing N N 245 
PHE C   O    doub N N 246 
PHE C   OXT  sing N N 247 
PHE CB  CG   sing N N 248 
PHE CB  HB2  sing N N 249 
PHE CB  HB3  sing N N 250 
PHE CG  CD1  doub Y N 251 
PHE CG  CD2  sing Y N 252 
PHE CD1 CE1  sing Y N 253 
PHE CD1 HD1  sing N N 254 
PHE CD2 CE2  doub Y N 255 
PHE CD2 HD2  sing N N 256 
PHE CE1 CZ   doub Y N 257 
PHE CE1 HE1  sing N N 258 
PHE CE2 CZ   sing Y N 259 
PHE CE2 HE2  sing N N 260 
PHE CZ  HZ   sing N N 261 
PHE OXT HXT  sing N N 262 
PRO N   CA   sing N N 263 
PRO N   CD   sing N N 264 
PRO N   H    sing N N 265 
PRO CA  C    sing N N 266 
PRO CA  CB   sing N N 267 
PRO CA  HA   sing N N 268 
PRO C   O    doub N N 269 
PRO C   OXT  sing N N 270 
PRO CB  CG   sing N N 271 
PRO CB  HB2  sing N N 272 
PRO CB  HB3  sing N N 273 
PRO CG  CD   sing N N 274 
PRO CG  HG2  sing N N 275 
PRO CG  HG3  sing N N 276 
PRO CD  HD2  sing N N 277 
PRO CD  HD3  sing N N 278 
PRO OXT HXT  sing N N 279 
SER N   CA   sing N N 280 
SER N   H    sing N N 281 
SER N   H2   sing N N 282 
SER CA  C    sing N N 283 
SER CA  CB   sing N N 284 
SER CA  HA   sing N N 285 
SER C   O    doub N N 286 
SER C   OXT  sing N N 287 
SER CB  OG   sing N N 288 
SER CB  HB2  sing N N 289 
SER CB  HB3  sing N N 290 
SER OG  HG   sing N N 291 
SER OXT HXT  sing N N 292 
THR N   CA   sing N N 293 
THR N   H    sing N N 294 
THR N   H2   sing N N 295 
THR CA  C    sing N N 296 
THR CA  CB   sing N N 297 
THR CA  HA   sing N N 298 
THR C   O    doub N N 299 
THR C   OXT  sing N N 300 
THR CB  OG1  sing N N 301 
THR CB  CG2  sing N N 302 
THR CB  HB   sing N N 303 
THR OG1 HG1  sing N N 304 
THR CG2 HG21 sing N N 305 
THR CG2 HG22 sing N N 306 
THR CG2 HG23 sing N N 307 
THR OXT HXT  sing N N 308 
TRP N   CA   sing N N 309 
TRP N   H    sing N N 310 
TRP N   H2   sing N N 311 
TRP CA  C    sing N N 312 
TRP CA  CB   sing N N 313 
TRP CA  HA   sing N N 314 
TRP C   O    doub N N 315 
TRP C   OXT  sing N N 316 
TRP CB  CG   sing N N 317 
TRP CB  HB2  sing N N 318 
TRP CB  HB3  sing N N 319 
TRP CG  CD1  doub Y N 320 
TRP CG  CD2  sing Y N 321 
TRP CD1 NE1  sing Y N 322 
TRP CD1 HD1  sing N N 323 
TRP CD2 CE2  doub Y N 324 
TRP CD2 CE3  sing Y N 325 
TRP NE1 CE2  sing Y N 326 
TRP NE1 HE1  sing N N 327 
TRP CE2 CZ2  sing Y N 328 
TRP CE3 CZ3  doub Y N 329 
TRP CE3 HE3  sing N N 330 
TRP CZ2 CH2  doub Y N 331 
TRP CZ2 HZ2  sing N N 332 
TRP CZ3 CH2  sing Y N 333 
TRP CZ3 HZ3  sing N N 334 
TRP CH2 HH2  sing N N 335 
TRP OXT HXT  sing N N 336 
TYR N   CA   sing N N 337 
TYR N   H    sing N N 338 
TYR N   H2   sing N N 339 
TYR CA  C    sing N N 340 
TYR CA  CB   sing N N 341 
TYR CA  HA   sing N N 342 
TYR C   O    doub N N 343 
TYR C   OXT  sing N N 344 
TYR CB  CG   sing N N 345 
TYR CB  HB2  sing N N 346 
TYR CB  HB3  sing N N 347 
TYR CG  CD1  doub Y N 348 
TYR CG  CD2  sing Y N 349 
TYR CD1 CE1  sing Y N 350 
TYR CD1 HD1  sing N N 351 
TYR CD2 CE2  doub Y N 352 
TYR CD2 HD2  sing N N 353 
TYR CE1 CZ   doub Y N 354 
TYR CE1 HE1  sing N N 355 
TYR CE2 CZ   sing Y N 356 
TYR CE2 HE2  sing N N 357 
TYR CZ  OH   sing N N 358 
TYR OH  HH   sing N N 359 
TYR OXT HXT  sing N N 360 
VAL N   CA   sing N N 361 
VAL N   H    sing N N 362 
VAL N   H2   sing N N 363 
VAL CA  C    sing N N 364 
VAL CA  CB   sing N N 365 
VAL CA  HA   sing N N 366 
VAL C   O    doub N N 367 
VAL C   OXT  sing N N 368 
VAL CB  CG1  sing N N 369 
VAL CB  CG2  sing N N 370 
VAL CB  HB   sing N N 371 
VAL CG1 HG11 sing N N 372 
VAL CG1 HG12 sing N N 373 
VAL CG1 HG13 sing N N 374 
VAL CG2 HG21 sing N N 375 
VAL CG2 HG22 sing N N 376 
VAL CG2 HG23 sing N N 377 
VAL OXT HXT  sing N N 378 
# 
_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                    7HBL 
_atom_sites.fract_transf_matrix[1][1]   0.015179 
_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]   0.011206 
_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]   0.010017 
_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.
;
? 
CL ? ? 9.50761 7.44341 ? ? 1.04373  23.83732 ? ? 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   ? 4.53857   -28.64797 -39.06164 1.000 55.10181  ? 16  GLU A N   1 
ATOM   2    C  CA  . GLU A 1 9   ? 5.64965   -27.73133 -39.24874 1.000 60.64628  ? 16  GLU A CA  1 
ATOM   3    C  C   . GLU A 1 9   ? 5.82939   -26.85097 -38.01706 1.000 60.86924  ? 16  GLU A C   1 
ATOM   4    O  O   . GLU A 1 9   ? 5.12923   -25.84899 -37.83636 1.000 51.56399  ? 16  GLU A O   1 
ATOM   5    C  CB  . GLU A 1 9   ? 5.41973   -26.87270 -40.49437 1.000 76.34576  ? 16  GLU A CB  1 
ATOM   6    C  CG  . GLU A 1 9   ? 6.37922   -25.69904 -40.66999 1.000 87.54818  ? 16  GLU A CG  1 
ATOM   7    C  CD  . GLU A 1 9   ? 7.66464   -26.09274 -41.36982 1.000 102.26167 ? 16  GLU A CD  1 
ATOM   8    O  OE1 . GLU A 1 9   ? 7.66129   -26.26913 -42.60975 1.000 95.03869  ? 16  GLU A OE1 1 
ATOM   9    O  OE2 . GLU A 1 9   ? 8.68954   -26.21593 -40.67291 1.000 96.41323  ? 16  GLU A OE2 1 
ATOM   10   N  N   . VAL A 1 10  ? 6.77637   -27.23454 -37.16798 1.000 46.44999  ? 17  VAL A N   1 
ATOM   11   C  CA  . VAL A 1 10  ? 7.00912   -26.58756 -35.88454 1.000 36.71518  ? 17  VAL A CA  1 
ATOM   12   C  C   . VAL A 1 10  ? 8.37557   -25.91956 -35.92948 1.000 35.73439  ? 17  VAL A C   1 
ATOM   13   O  O   . VAL A 1 10  ? 9.37174   -26.55619 -36.29072 1.000 39.71558  ? 17  VAL A O   1 
ATOM   14   C  CB  . VAL A 1 10  ? 6.93362   -27.60367 -34.73322 1.000 39.73188  ? 17  VAL A CB  1 
ATOM   15   C  CG1 . VAL A 1 10  ? 7.37833   -26.96957 -33.43031 1.000 40.05008  ? 17  VAL A CG1 1 
ATOM   16   C  CG2 . VAL A 1 10  ? 5.53701   -28.18432 -34.63200 1.000 52.27624  ? 17  VAL A CG2 1 
ATOM   17   N  N   . GLU A 1 11  ? 8.42494   -24.64262 -35.56958 1.000 32.07237  ? 18  GLU A N   1 
ATOM   18   C  CA  . GLU A 1 11  ? 9.67388   -23.89446 -35.52036 1.000 29.78576  ? 18  GLU A CA  1 
ATOM   19   C  C   . GLU A 1 11  ? 10.09882  -23.73362 -34.06867 1.000 27.65816  ? 18  GLU A C   1 
ATOM   20   O  O   . GLU A 1 11  ? 9.28222   -23.37585 -33.21634 1.000 27.36141  ? 18  GLU A O   1 
ATOM   21   C  CB  . GLU A 1 11  ? 9.52461   -22.52468 -36.18429 1.000 29.76345  ? 18  GLU A CB  1 
ATOM   22   C  CG  . GLU A 1 11  ? 9.33365   -22.58552 -37.69103 1.000 31.81919  ? 18  GLU A CG  1 
ATOM   23   C  CD  . GLU A 1 11  ? 9.16868   -21.21161 -38.31631 1.000 42.18831  ? 18  GLU A CD  1 
ATOM   24   O  OE1 . GLU A 1 11  ? 8.14278   -20.55538 -38.04768 1.000 44.11881  ? 18  GLU A OE1 1 
ATOM   25   O  OE2 . GLU A 1 11  ? 10.05568  -20.79032 -39.08777 1.000 43.44077  ? 18  GLU A OE2 1 
ATOM   26   N  N   . THR A 1 12  ? 11.37212  -24.00301 -33.79199 1.000 26.45647  ? 19  THR A N   1 
ATOM   27   C  CA  . THR A 1 12  ? 11.92059  -23.89953 -32.44821 1.000 24.83295  ? 19  THR A CA  1 
ATOM   28   C  C   . THR A 1 12  ? 12.91537  -22.74950 -32.39923 1.000 25.25093  ? 19  THR A C   1 
ATOM   29   O  O   . THR A 1 12  ? 13.79482  -22.64732 -33.26051 1.000 23.41798  ? 19  THR A O   1 
ATOM   30   C  CB  . THR A 1 12  ? 12.59983  -25.20301 -32.02699 1.000 25.30836  ? 19  THR A CB  1 
ATOM   31   O  OG1 . THR A 1 12  ? 11.66966  -26.28615 -32.15072 1.000 27.46514  ? 19  THR A OG1 1 
ATOM   32   C  CG2 . THR A 1 12  ? 13.09565  -25.10891 -30.57806 1.000 24.04241  ? 19  THR A CG2 1 
ATOM   33   N  N   . PHE A 1 13  ? 12.76550  -21.89298 -31.39298 1.000 24.40041  ? 20  PHE A N   1 
ATOM   34   C  CA  . PHE A 1 13  ? 13.54182  -20.67166 -31.24381 1.000 23.15920  ? 20  PHE A CA  1 
ATOM   35   C  C   . PHE A 1 13  ? 14.22116  -20.67562 -29.88532 1.000 25.96683  ? 20  PHE A C   1 
ATOM   36   O  O   . PHE A 1 13  ? 13.67962  -21.20474 -28.91427 1.000 23.62429  ? 20  PHE A O   1 
ATOM   37   C  CB  . PHE A 1 13  ? 12.64989  -19.43293 -31.30734 1.000 23.89254  ? 20  PHE A CB  1 
ATOM   38   C  CG  . PHE A 1 13  ? 11.93866  -19.25313 -32.61285 1.000 25.94404  ? 20  PHE A CG  1 
ATOM   39   C  CD1 . PHE A 1 13  ? 10.72263  -19.88221 -32.83769 1.000 25.54535  ? 20  PHE A CD1 1 
ATOM   40   C  CD2 . PHE A 1 13  ? 12.45307  -18.42299 -33.59685 1.000 28.23009  ? 20  PHE A CD2 1 
ATOM   41   C  CE1 . PHE A 1 13  ? 10.05026  -19.71600 -34.03149 1.000 27.63460  ? 20  PHE A CE1 1 
ATOM   42   C  CE2 . PHE A 1 13  ? 11.77946  -18.24716 -34.79461 1.000 30.97567  ? 20  PHE A CE2 1 
ATOM   43   C  CZ  . PHE A 1 13  ? 10.57825  -18.89650 -35.01139 1.000 30.12344  ? 20  PHE A CZ  1 
ATOM   44   N  N   . ALA A 1 14  ? 15.38680  -20.04117 -29.80779 1.000 22.29198  ? 21  ALA A N   1 
ATOM   45   C  CA  . ALA A 1 14  ? 16.01949  -19.77647 -28.52041 1.000 21.72102  ? 21  ALA A CA  1 
ATOM   46   C  C   . ALA A 1 14  ? 15.52600  -18.45568 -27.94247 1.000 22.40259  ? 21  ALA A C   1 
ATOM   47   O  O   . ALA A 1 14  ? 15.45858  -17.44427 -28.64638 1.000 24.04957  ? 21  ALA A O   1 
ATOM   48   C  CB  . ALA A 1 14  ? 17.53932  -19.72304 -28.66639 1.000 22.37821  ? 21  ALA A CB  1 
ATOM   49   N  N   . PHE A 1 15  ? 15.20026  -18.45527 -26.64782 1.000 21.63180  ? 22  PHE A N   1 
ATOM   50   C  CA  . PHE A 1 15  ? 15.00483  -17.17927 -25.97265 1.000 21.55232  ? 22  PHE A CA  1 
ATOM   51   C  C   . PHE A 1 15  ? 16.29686  -16.37289 -25.99960 1.000 20.50117  ? 22  PHE A C   1 
ATOM   52   O  O   . PHE A 1 15  ? 17.39754  -16.92103 -25.88273 1.000 24.13992  ? 22  PHE A O   1 
ATOM   53   C  CB  . PHE A 1 15  ? 14.59178  -17.37155 -24.50814 1.000 21.37918  ? 22  PHE A CB  1 
ATOM   54   C  CG  . PHE A 1 15  ? 13.19217  -17.89452 -24.31215 1.000 20.27320  ? 22  PHE A CG  1 
ATOM   55   C  CD1 . PHE A 1 15  ? 12.08644  -17.09707 -24.57756 1.000 20.50176  ? 22  PHE A CD1 1 
ATOM   56   C  CD2 . PHE A 1 15  ? 12.98568  -19.17581 -23.81542 1.000 21.85266  ? 22  PHE A CD2 1 
ATOM   57   C  CE1 . PHE A 1 15  ? 10.79963  -17.57397 -24.37028 1.000 20.32066  ? 22  PHE A CE1 1 
ATOM   58   C  CE2 . PHE A 1 15  ? 11.70287  -19.65963 -23.61000 1.000 23.31198  ? 22  PHE A CE2 1 
ATOM   59   C  CZ  . PHE A 1 15  ? 10.61009  -18.86230 -23.88325 1.000 19.96024  ? 22  PHE A CZ  1 
ATOM   60   N  N   . GLN A 1 16  ? 16.15744  -15.05494 -26.13022 1.000 23.27510  ? 23  GLN A N   1 
ATOM   61   C  CA  . GLN A 1 16  ? 17.28084  -14.17980 -25.82720 1.000 26.78095  ? 23  GLN A CA  1 
ATOM   62   C  C   . GLN A 1 16  ? 17.78633  -14.47019 -24.41790 1.000 21.54876  ? 23  GLN A C   1 
ATOM   63   O  O   . GLN A 1 16  ? 17.01737  -14.82104 -23.52051 1.000 24.92071  ? 23  GLN A O   1 
ATOM   64   C  CB  . GLN A 1 16  ? 16.87769  -12.71175 -25.94272 1.000 26.63985  ? 23  GLN A CB  1 
ATOM   65   C  CG  . GLN A 1 16  ? 16.57222  -12.25157 -27.35076 1.000 29.31507  ? 23  GLN A CG  1 
ATOM   66   C  CD  . GLN A 1 16  ? 15.93629  -10.87666 -27.36755 1.000 44.95423  ? 23  GLN A CD  1 
ATOM   67   O  OE1 . GLN A 1 16  ? 14.76275  -10.72776 -27.04479 1.000 44.31803  ? 23  GLN A OE1 1 
ATOM   68   N  NE2 . GLN A 1 16  ? 16.71278  -9.86200  -27.73688 1.000 47.29942  ? 23  GLN A NE2 1 
ATOM   69   N  N   . ALA A 1 17  ? 19.10197  -14.33197 -24.23449 1.000 25.14182  ? 24  ALA A N   1 
ATOM   70   C  CA  . ALA A 1 17  ? 19.73000  -14.73695 -22.97951 1.000 25.21972  ? 24  ALA A CA  1 
ATOM   71   C  C   . ALA A 1 17  ? 19.09728  -14.04514 -21.78224 1.000 27.40197  ? 24  ALA A C   1 
ATOM   72   O  O   . ALA A 1 17  ? 18.88790  -14.67026 -20.73441 1.000 28.49571  ? 24  ALA A O   1 
ATOM   73   C  CB  . ALA A 1 17  ? 21.22858  -14.44306 -23.02795 1.000 28.21824  ? 24  ALA A CB  1 
ATOM   74   N  N   . GLU A 1 18  ? 18.77529  -12.75700 -21.92324 1.000 26.28826  ? 25  GLU A N   1 
ATOM   75   C  CA  . GLU A 1 18  ? 18.21169  -12.00272 -20.81143 1.000 24.56794  ? 25  GLU A CA  1 
ATOM   76   C  C   . GLU A 1 18  ? 16.83365  -12.52332 -20.41518 1.000 23.50034  ? 25  GLU A C   1 
ATOM   77   O  O   . GLU A 1 18  ? 16.48397  -12.50492 -19.22938 1.000 25.76631  ? 25  GLU A O   1 
ATOM   78   C  CB  . GLU A 1 18  ? 18.13666  -10.52052 -21.17838 1.000 29.38797  ? 25  GLU A CB  1 
ATOM   79   C  CG  . GLU A 1 18  ? 19.49200  -9.86161  -21.40859 1.000 36.13252  ? 25  GLU A CG  1 
ATOM   80   C  CD  . GLU A 1 18  ? 20.03452  -10.06174 -22.82074 1.000 49.11494  ? 25  GLU A CD  1 
ATOM   81   O  OE1 . GLU A 1 18  ? 19.40107  -10.78395 -23.62214 1.000 36.88698  ? 25  GLU A OE1 1 
ATOM   82   O  OE2 . GLU A 1 18  ? 21.10076  -9.48593  -23.13103 1.000 49.88556  ? 25  GLU A OE2 1 
ATOM   83   N  N   . ILE A 1 19  ? 16.04401  -12.99036 -21.38609 1.000 24.15965  ? 26  ILE A N   1 
ATOM   84   C  CA  . ILE A 1 19  ? 14.71500  -13.51717 -21.08025 1.000 25.03768  ? 26  ILE A CA  1 
ATOM   85   C  C   . ILE A 1 19  ? 14.82991  -14.90193 -20.45677 1.000 24.34870  ? 26  ILE A C   1 
ATOM   86   O  O   . ILE A 1 19  ? 14.09626  -15.24260 -19.52144 1.000 23.76619  ? 26  ILE A O   1 
ATOM   87   C  CB  . ILE A 1 19  ? 13.83016  -13.53747 -22.34466 1.000 25.39280  ? 26  ILE A CB  1 
ATOM   88   C  CG1 . ILE A 1 19  ? 13.27960  -12.14327 -22.66034 1.000 29.72908  ? 26  ILE A CG1 1 
ATOM   89   C  CG2 . ILE A 1 19  ? 12.64128  -14.48791 -22.16610 1.000 26.82433  ? 26  ILE A CG2 1 
ATOM   90   C  CD1 . ILE A 1 19  ? 14.31226  -11.13006 -23.11028 1.000 38.15023  ? 26  ILE A CD1 1 
ATOM   91   N  N   . ALA A 1 20  ? 15.75335  -15.72316 -20.96098 1.000 21.74416  ? 27  ALA A N   1 
ATOM   92   C  CA  . ALA A 1 20  ? 15.99482  -17.01856 -20.33668 1.000 24.41854  ? 27  ALA A CA  1 
ATOM   93   C  C   . ALA A 1 20  ? 16.42974  -16.84446 -18.88924 1.000 21.46477  ? 27  ALA A C   1 
ATOM   94   O  O   . ALA A 1 20  ? 16.03176  -17.62207 -18.01327 1.000 27.84156  ? 27  ALA A O   1 
ATOM   95   C  CB  . ALA A 1 20  ? 17.04815  -17.80163 -21.12406 1.000 25.95810  ? 27  ALA A CB  1 
ATOM   96   N  N   . GLN A 1 21  ? 17.24701  -15.82291 -18.62054 1.000 24.33445  ? 28  GLN A N   1 
ATOM   97   C  CA  . GLN A 1 21  ? 17.66867  -15.55411 -17.25016 1.000 23.31845  ? 28  GLN A CA  1 
ATOM   98   C  C   . GLN A 1 21  ? 16.48647  -15.16639 -16.37616 1.000 28.07491  ? 28  GLN A C   1 
ATOM   99   O  O   . GLN A 1 21  ? 16.36928  -15.63580 -15.23684 1.000 28.33793  ? 28  GLN A O   1 
ATOM   100  C  CB  . GLN A 1 21  ? 18.72400  -14.45128 -17.23575 1.000 27.97079  ? 28  GLN A CB  1 
ATOM   101  C  CG  . GLN A 1 21  ? 19.38795  -14.23709 -15.88588 1.000 36.43593  ? 28  GLN A CG  1 
ATOM   102  C  CD  . GLN A 1 21  ? 20.48387  -13.18466 -15.94159 1.000 65.58671  ? 28  GLN A CD  1 
ATOM   103  O  OE1 . GLN A 1 21  ? 20.61344  -12.45786 -16.92833 1.000 66.18005  ? 28  GLN A OE1 1 
ATOM   104  N  NE2 . GLN A 1 21  ? 21.26780  -13.08787 -14.87324 1.000 76.43218  ? 28  GLN A NE2 1 
ATOM   105  N  N   . LEU A 1 22  ? 15.59798  -14.30947 -16.89303 1.000 25.46648  ? 29  LEU A N   1 
ATOM   106  C  CA  . LEU A 1 22  ? 14.41432  -13.92485 -16.12709 1.000 25.60607  ? 29  LEU A CA  1 
ATOM   107  C  C   . LEU A 1 22  ? 13.53333  -15.13158 -15.82639 1.000 25.87453  ? 29  LEU A C   1 
ATOM   108  O  O   . LEU A 1 22  ? 13.02893  -15.27903 -14.70430 1.000 25.76282  ? 29  LEU A O   1 
ATOM   109  C  CB  . LEU A 1 22  ? 13.61698  -12.86398 -16.88481 1.000 27.21323  ? 29  LEU A CB  1 
ATOM   110  C  CG  . LEU A 1 22  ? 12.22929  -12.57977 -16.30430 1.000 28.40307  ? 29  LEU A CG  1 
ATOM   111  C  CD1 . LEU A 1 22  ? 12.37139  -11.80557 -15.00192 1.000 32.83226  ? 29  LEU A CD1 1 
ATOM   112  C  CD2 . LEU A 1 22  ? 11.35659  -11.83438 -17.30534 1.000 32.28948  ? 29  LEU A CD2 1 
ATOM   113  N  N   . MET A 1 23  ? 13.33089  -16.00774 -16.81484 1.000 22.18305  ? 30  MET A N   1 
ATOM   114  C  CA  . MET A 1 23  ? 12.49520  -17.18013 -16.57733 1.000 23.39080  ? 30  MET A CA  1 
ATOM   115  C  C   . MET A 1 23  ? 13.12924  -18.13021 -15.57144 1.000 25.24643  ? 30  MET A C   1 
ATOM   116  O  O   . MET A 1 23  ? 12.43292  -18.67732 -14.71021 1.000 23.00729  ? 30  MET A O   1 
ATOM   117  C  CB  . MET A 1 23  ? 12.17849  -17.91081 -17.88562 1.000 21.91988  ? 30  MET A CB  1 
ATOM   118  C  CG  . MET A 1 23  ? 11.40718  -17.06230 -18.89061 1.000 21.76959  ? 30  MET A CG  1 
ATOM   119  S  SD  . MET A 1 23  ? 11.26348  -17.86748 -20.49904 1.000 23.66215  ? 30  MET A SD  1 
ATOM   120  C  CE  . MET A 1 23  ? 10.16628  -19.21977 -20.07732 1.000 24.88419  ? 30  MET A CE  1 
ATOM   121  N  N   . SER A 1 24  ? 14.44251  -18.35244 -15.66828 1.000 25.73825  ? 31  SER A N   1 
ATOM   122  C  CA  . SER A 1 24  ? 15.10802  -19.21814 -14.69994 1.000 25.33180  ? 31  SER A CA  1 
ATOM   123  C  C   . SER A 1 24  ? 14.96260  -18.66525 -13.29240 1.000 31.24485  ? 31  SER A C   1 
ATOM   124  O  O   . SER A 1 24  ? 14.75119  -19.41133 -12.32857 1.000 29.63092  ? 31  SER A O   1 
ATOM   125  C  CB  . SER A 1 24  ? 16.58248  -19.36363 -15.06574 1.000 33.13347  ? 31  SER A CB  1 
ATOM   126  O  OG  . SER A 1 24  ? 17.26674  -20.18293 -14.13211 1.000 45.63297  ? 31  SER A OG  1 
ATOM   127  N  N   . LEU A 1 25  ? 15.07128  -17.35245 -13.16019 1.000 25.10625  ? 32  LEU A N   1 
ATOM   128  C  CA  . LEU A 1 25  ? 14.94546  -16.73338 -11.85715 1.000 24.27816  ? 32  LEU A CA  1 
ATOM   129  C  C   . LEU A 1 25  ? 13.50875  -16.82706 -11.33201 1.000 27.09913  ? 32  LEU A C   1 
ATOM   130  O  O   . LEU A 1 25  ? 13.29536  -17.02061 -10.12769 1.000 27.83211  ? 32  LEU A O   1 
ATOM   131  C  CB  . LEU A 1 25  ? 15.50697  -15.31559 -11.98366 1.000 34.72065  ? 32  LEU A CB  1 
ATOM   132  C  CG  . LEU A 1 25  ? 15.71351  -14.39827 -10.80562 1.000 69.96969  ? 32  LEU A CG  1 
ATOM   133  C  CD1 . LEU A 1 25  ? 16.42773  -13.15443 -11.19117 1.000 64.44440  ? 32  LEU A CD1 1 
ATOM   134  C  CD2 . LEU A 1 25  ? 14.33392  -13.99950 -10.69300 1.000 56.80780  ? 32  LEU A CD2 1 
ATOM   135  N  N   . ILE A 1 26  ? 12.51396  -16.71630 -12.21306 1.000 23.54038  ? 33  ILE A N   1 
ATOM   136  C  CA  . ILE A 1 26  ? 11.12983  -16.89260 -11.77834 1.000 27.64794  ? 33  ILE A CA  1 
ATOM   137  C  C   . ILE A 1 26  ? 10.88905  -18.32871 -11.32651 1.000 28.20161  ? 33  ILE A C   1 
ATOM   138  O  O   . ILE A 1 26  ? 10.14847  -18.58141 -10.36364 1.000 29.12254  ? 33  ILE A O   1 
ATOM   139  C  CB  . ILE A 1 26  ? 10.16524  -16.47621 -12.90380 1.000 23.43532  ? 33  ILE A CB  1 
ATOM   140  C  CG1 . ILE A 1 26  ? 10.15025  -14.95281 -13.05022 1.000 25.86959  ? 33  ILE A CG1 1 
ATOM   141  C  CG2 . ILE A 1 26  ? 8.75583   -17.03654 -12.65804 1.000 25.13208  ? 33  ILE A CG2 1 
ATOM   142  C  CD1 . ILE A 1 26  ? 9.44748   -14.44518 -14.30709 1.000 26.80386  ? 33  ILE A CD1 1 
ATOM   143  N  N   . ILE A 1 27  ? 11.53851  -19.28801 -11.98438 1.000 24.42163  ? 34  ILE A N   1 
ATOM   144  C  CA  . ILE A 1 27  ? 11.27155  -20.69437 -11.69779 1.000 29.17424  ? 34  ILE A CA  1 
ATOM   145  C  C   . ILE A 1 27  ? 12.00948  -21.15475 -10.44359 1.000 29.88733  ? 34  ILE A C   1 
ATOM   146  O  O   . ILE A 1 27  ? 11.49400  -21.96991 -9.66982  1.000 37.02854  ? 34  ILE A O   1 
ATOM   147  C  CB  . ILE A 1 27  ? 11.63507  -21.54845 -12.92742 1.000 30.46974  ? 34  ILE A CB  1 
ATOM   148  C  CG1 . ILE A 1 27  ? 10.62582  -21.30306 -14.05086 1.000 24.71954  ? 34  ILE A CG1 1 
ATOM   149  C  CG2 . ILE A 1 27  ? 11.70692  -23.03174 -12.56893 1.000 32.43937  ? 34  ILE A CG2 1 
ATOM   150  C  CD1 . ILE A 1 27  ? 11.11322  -21.72485 -15.41580 1.000 27.39356  ? 34  ILE A CD1 1 
ATOM   151  N  N   . ASN A 1 28  ? 13.20837  -20.62912 -10.19755 1.000 29.89044  ? 35  ASN A N   1 
ATOM   152  C  CA  . ASN A 1 28  ? 14.06880  -21.18719 -9.16418  1.000 31.80054  ? 35  ASN A CA  1 
ATOM   153  C  C   . ASN A 1 28  ? 14.13167  -20.36406 -7.88256  1.000 34.70130  ? 35  ASN A C   1 
ATOM   154  O  O   . ASN A 1 28  ? 14.58712  -20.88842 -6.86042  1.000 41.14861  ? 35  ASN A O   1 
ATOM   155  C  CB  . ASN A 1 28  ? 15.48251  -21.37956 -9.71962  1.000 35.71646  ? 35  ASN A CB  1 
ATOM   156  C  CG  . ASN A 1 28  ? 15.50784  -22.32676 -10.89411 1.000 44.39061  ? 35  ASN A CG  1 
ATOM   157  O  OD1 . ASN A 1 28  ? 14.89943  -23.39748 -10.85398 1.000 47.15770  ? 35  ASN A OD1 1 
ATOM   158  N  ND2 . ASN A 1 28  ? 16.20504  -21.93757 -11.95391 1.000 55.05041  ? 35  ASN A ND2 1 
ATOM   159  N  N   . THR A 1 29  ? 13.68799  -19.10821 -7.89195  1.000 31.67299  ? 36  THR A N   1 
ATOM   160  C  CA  . THR A 1 29  ? 13.73163  -18.30075 -6.67815  1.000 35.88865  ? 36  THR A CA  1 
ATOM   161  C  C   . THR A 1 29  ? 12.61915  -18.72134 -5.72568  1.000 33.42085  ? 36  THR A C   1 
ATOM   162  O  O   . THR A 1 29  ? 11.48676  -18.96667 -6.14837  1.000 32.45282  ? 36  THR A O   1 
ATOM   163  C  CB  . THR A 1 29  ? 13.58709  -16.81435 -7.01209  1.000 38.21808  ? 36  THR A CB  1 
ATOM   164  O  OG1 . THR A 1 29  ? 14.69688  -16.39008 -7.80809  1.000 38.58144  ? 36  THR A OG1 1 
ATOM   165  C  CG2 . THR A 1 29  ? 13.54201  -15.97357 -5.73661  1.000 43.58621  ? 36  THR A CG2 1 
ATOM   166  N  N   . PHE A 1 30  ? 12.93857  -18.80524 -4.43363  1.000 30.04173  ? 37  PHE A N   1 
ATOM   167  C  CA  . PHE A 1 30  ? 11.89073  -19.03787 -3.45064  1.000 32.76235  ? 37  PHE A CA  1 
ATOM   168  C  C   . PHE A 1 30  ? 11.05808  -17.76985 -3.28952  1.000 31.53939  ? 37  PHE A C   1 
ATOM   169  O  O   . PHE A 1 30  ? 11.58844  -16.71287 -2.93270  1.000 34.03619  ? 37  PHE A O   1 
ATOM   170  C  CB  . PHE A 1 30  ? 12.48085  -19.46444 -2.11130  1.000 32.56314  ? 37  PHE A CB  1 
ATOM   171  C  CG  . PHE A 1 30  ? 11.43841  -19.73910 -1.07589  1.000 34.44119  ? 37  PHE A CG  1 
ATOM   172  C  CD1 . PHE A 1 30  ? 10.61517  -20.84660 -1.18860  1.000 37.12837  ? 37  PHE A CD1 1 
ATOM   173  C  CD2 . PHE A 1 30  ? 11.25091  -18.87369 -0.00931  1.000 34.38590  ? 37  PHE A CD2 1 
ATOM   174  C  CE1 . PHE A 1 30  ? 9.64003   -21.10168 -0.24282  1.000 35.41792  ? 37  PHE A CE1 1 
ATOM   175  C  CE2 . PHE A 1 30  ? 10.27470  -19.12197 0.93108   1.000 38.65807  ? 37  PHE A CE2 1 
ATOM   176  C  CZ  . PHE A 1 30  ? 9.47004   -20.23813 0.81515   1.000 33.74252  ? 37  PHE A CZ  1 
ATOM   177  N  N   . TYR A 1 31  ? 9.75539   -17.87292 -3.55045  1.000 27.65583  ? 38  TYR A N   1 
ATOM   178  C  CA  . TYR A 1 31  ? 8.87689   -16.70431 -3.51075  1.000 27.06585  ? 38  TYR A CA  1 
ATOM   179  C  C   . TYR A 1 31  ? 7.45422   -17.22390 -3.35738  1.000 26.21895  ? 38  TYR A C   1 
ATOM   180  O  O   . TYR A 1 31  ? 6.92136   -17.83548 -4.28445  1.000 25.90605  ? 38  TYR A O   1 
ATOM   181  C  CB  . TYR A 1 31  ? 9.03160   -15.86456 -4.77881  1.000 27.52033  ? 38  TYR A CB  1 
ATOM   182  C  CG  . TYR A 1 31  ? 8.14702   -14.63873 -4.81282  1.000 30.40927  ? 38  TYR A CG  1 
ATOM   183  C  CD1 . TYR A 1 31  ? 8.42316   -13.54664 -4.00123  1.000 32.79241  ? 38  TYR A CD1 1 
ATOM   184  C  CD2 . TYR A 1 31  ? 7.03735   -14.57259 -5.64882  1.000 32.02015  ? 38  TYR A CD2 1 
ATOM   185  C  CE1 . TYR A 1 31  ? 7.62436   -12.42201 -4.01239  1.000 41.70684  ? 38  TYR A CE1 1 
ATOM   186  C  CE2 . TYR A 1 31  ? 6.22780   -13.44099 -5.66985  1.000 29.40279  ? 38  TYR A CE2 1 
ATOM   187  C  CZ  . TYR A 1 31  ? 6.53068   -12.37313 -4.84739  1.000 38.27030  ? 38  TYR A CZ  1 
ATOM   188  O  OH  . TYR A 1 31  ? 5.74292   -11.24404 -4.85317  1.000 42.64137  ? 38  TYR A OH  1 
ATOM   189  N  N   . SER A 1 32  ? 6.84992   -16.99099 -2.19361  1.000 27.10442  ? 39  SER A N   1 
ATOM   190  C  CA  . SER A 1 32  ? 5.59262   -17.65136 -1.86697  1.000 26.79164  ? 39  SER A CA  1 
ATOM   191  C  C   . SER A 1 32  ? 4.38395   -16.99410 -2.51889  1.000 27.80815  ? 39  SER A C   1 
ATOM   192  O  O   . SER A 1 32  ? 3.36005   -17.66107 -2.69834  1.000 29.03059  ? 39  SER A O   1 
ATOM   193  C  CB  . SER A 1 32  ? 5.40306   -17.68591 -0.34968  1.000 28.33578  ? 39  SER A CB  1 
ATOM   194  O  OG  . SER A 1 32  ? 6.40784   -18.48132 0.25791   1.000 29.72434  ? 39  SER A OG  1 
ATOM   195  N  N   . ASN A 1 33  ? 4.48558   -15.71872 -2.88931  1.000 26.00490  ? 40  ASN A N   1 
ATOM   196  C  CA  . ASN A 1 33  ? 3.34522   -14.93196 -3.36218  1.000 28.99201  ? 40  ASN A CA  1 
ATOM   197  C  C   . ASN A 1 33  ? 3.06935   -15.19718 -4.84787  1.000 26.85876  ? 40  ASN A C   1 
ATOM   198  O  O   . ASN A 1 33  ? 3.05872   -14.29560 -5.68293  1.000 25.96699  ? 40  ASN A O   1 
ATOM   199  C  CB  . ASN A 1 33  ? 3.62115   -13.45620 -3.09511  1.000 30.90358  ? 40  ASN A CB  1 
ATOM   200  C  CG  . ASN A 1 33  ? 2.44828   -12.55955 -3.43243  1.000 31.71153  ? 40  ASN A CG  1 
ATOM   201  O  OD1 . ASN A 1 33  ? 1.29346   -12.93784 -3.26194  1.000 32.63062  ? 40  ASN A OD1 1 
ATOM   202  N  ND2 . ASN A 1 33  ? 2.74528   -11.35384 -3.89897  1.000 31.33229  ? 40  ASN A ND2 1 
ATOM   203  N  N   . LYS A 1 34  ? 2.81852   -16.47179 -5.16833  1.000 23.89334  ? 41  LYS A N   1 
ATOM   204  C  CA  . LYS A 1 34  ? 2.68128   -16.88012 -6.56527  1.000 21.40020  ? 41  LYS A CA  1 
ATOM   205  C  C   . LYS A 1 34  ? 1.39148   -16.38503 -7.21217  1.000 21.39045  ? 41  LYS A C   1 
ATOM   206  O  O   . LYS A 1 34  ? 1.32210   -16.31275 -8.44801  1.000 22.45790  ? 41  LYS A O   1 
ATOM   207  C  CB  . LYS A 1 34  ? 2.74012   -18.40498 -6.66753  1.000 25.03628  ? 41  LYS A CB  1 
ATOM   208  C  CG  . LYS A 1 34  ? 4.10316   -19.00947 -6.34643  1.000 22.97041  ? 41  LYS A CG  1 
ATOM   209  C  CD  . LYS A 1 34  ? 4.04568   -20.53163 -6.43146  1.000 27.84178  ? 41  LYS A CD  1 
ATOM   210  C  CE  . LYS A 1 34  ? 5.39742   -21.16894 -6.16575  1.000 28.36152  ? 41  LYS A CE  1 
ATOM   211  N  NZ  . LYS A 1 34  ? 6.30242   -21.02099 -7.32806  1.000 26.93115  ? 41  LYS A NZ  1 
ATOM   212  N  N   . GLU A 1 35  ? 0.37884   -16.04209 -6.41309  1.000 21.77121  ? 42  GLU A N   1 
ATOM   213  C  CA  . GLU A 1 35  ? -0.93986  -15.71016 -6.95119  1.000 23.21899  ? 42  GLU A CA  1 
ATOM   214  C  C   . GLU A 1 35  ? -0.92767  -14.49498 -7.87044  1.000 25.21763  ? 42  GLU A C   1 
ATOM   215  O  O   . GLU A 1 35  ? -1.90595  -14.28251 -8.59799  1.000 24.59437  ? 42  GLU A O   1 
ATOM   216  C  CB  . GLU A 1 35  ? -1.93383  -15.47373 -5.80848  1.000 25.37305  ? 42  GLU A CB  1 
ATOM   217  C  CG  . GLU A 1 35  ? -1.72970  -14.17770 -5.03189  1.000 23.58154  ? 42  GLU A CG  1 
ATOM   218  C  CD  . GLU A 1 35  ? -2.63497  -14.07081 -3.80772  1.000 31.97868  ? 42  GLU A CD  1 
ATOM   219  O  OE1 . GLU A 1 35  ? -2.78452  -15.07697 -3.08785  1.000 38.36230  ? 42  GLU A OE1 1 
ATOM   220  O  OE2 . GLU A 1 35  ? -3.18920  -12.97843 -3.56455  1.000 40.39003  ? 42  GLU A OE2 1 
ATOM   221  N  N   . ILE A 1 36  ? 0.14126   -13.69011 -7.85755  1.000 23.76465  ? 43  ILE A N   1 
ATOM   222  C  CA  . ILE A 1 36  ? 0.16300   -12.49119 -8.68742  1.000 22.30193  ? 43  ILE A CA  1 
ATOM   223  C  C   . ILE A 1 36  ? 0.18363   -12.81914 -10.17108 1.000 21.21491  ? 43  ILE A C   1 
ATOM   224  O  O   . ILE A 1 36  ? -0.07430  -11.92750 -10.98831 1.000 21.95540  ? 43  ILE A O   1 
ATOM   225  C  CB  . ILE A 1 36  ? 1.35552   -11.58034 -8.33821  1.000 24.70143  ? 43  ILE A CB  1 
ATOM   226  C  CG1 . ILE A 1 36  ? 2.68832   -12.29933 -8.55620  1.000 29.92530  ? 43  ILE A CG1 1 
ATOM   227  C  CG2 . ILE A 1 36  ? 1.23794   -11.06602 -6.90499  1.000 29.22359  ? 43  ILE A CG2 1 
ATOM   228  C  CD1 . ILE A 1 36  ? 3.36797   -11.95843 -9.86856  1.000 48.74538  ? 43  ILE A CD1 1 
ATOM   229  N  N   . PHE A 1 37  ? 0.48465   -14.06948 -10.54801 1.000 21.03661  ? 44  PHE A N   1 
ATOM   230  C  CA  . PHE A 1 37  ? 0.48363   -14.42150 -11.96743 1.000 20.41080  ? 44  PHE A CA  1 
ATOM   231  C  C   . PHE A 1 37  ? -0.85584  -14.08358 -12.60104 1.000 20.46586  ? 44  PHE A C   1 
ATOM   232  O  O   . PHE A 1 37  ? -0.91155  -13.66053 -13.76189 1.000 20.64536  ? 44  PHE A O   1 
ATOM   233  C  CB  . PHE A 1 37  ? 0.78232   -15.91476 -12.17904 1.000 21.07380  ? 44  PHE A CB  1 
ATOM   234  C  CG  . PHE A 1 37  ? -0.41934  -16.80959 -11.94338 1.000 21.90477  ? 44  PHE A CG  1 
ATOM   235  C  CD1 . PHE A 1 37  ? -0.72923  -17.25937 -10.67110 1.000 21.89370  ? 44  PHE A CD1 1 
ATOM   236  C  CD2 . PHE A 1 37  ? -1.25651  -17.17036 -12.99486 1.000 24.60112  ? 44  PHE A CD2 1 
ATOM   237  C  CE1 . PHE A 1 37  ? -1.85247  -18.06740 -10.45320 1.000 22.77094  ? 44  PHE A CE1 1 
ATOM   238  C  CE2 . PHE A 1 37  ? -2.38037  -17.96639 -12.78034 1.000 23.08485  ? 44  PHE A CE2 1 
ATOM   239  C  CZ  . PHE A 1 37  ? -2.67418  -18.41518 -11.51092 1.000 22.74348  ? 44  PHE A CZ  1 
ATOM   240  N  N   . LEU A 1 38  ? -1.95262  -14.28159 -11.86120 1.000 20.14755  ? 45  LEU A N   1 
ATOM   241  C  CA  . LEU A 1 38  ? -3.26477  -14.11322 -12.47584 1.000 18.59563  ? 45  LEU A CA  1 
ATOM   242  C  C   . LEU A 1 38  ? -3.56728  -12.64080 -12.69712 1.000 22.45061  ? 45  LEU A C   1 
ATOM   243  O  O   . LEU A 1 38  ? -4.11160  -12.26486 -13.74468 1.000 22.00921  ? 45  LEU A O   1 
ATOM   244  C  CB  . LEU A 1 38  ? -4.34287  -14.76743 -11.61566 1.000 20.84726  ? 45  LEU A CB  1 
ATOM   245  C  CG  . LEU A 1 38  ? -5.74610  -14.75570 -12.24188 1.000 20.48508  ? 45  LEU A CG  1 
ATOM   246  C  CD1 . LEU A 1 38  ? -5.73185  -15.53836 -13.54442 1.000 22.61225  ? 45  LEU A CD1 1 
ATOM   247  C  CD2 . LEU A 1 38  ? -6.77388  -15.34095 -11.28151 1.000 26.06419  ? 45  LEU A CD2 1 
ATOM   248  N  N   . ARG A 1 39  ? -3.20410  -11.79507 -11.72551 1.000 22.65519  ? 46  ARG A N   1 
ATOM   249  C  CA  . ARG A 1 39  ? -3.30455  -10.35083 -11.90924 1.000 20.10151  ? 46  ARG A CA  1 
ATOM   250  C  C   . ARG A 1 39  ? -2.53799  -9.90722  -13.14592 1.000 23.92333  ? 46  ARG A C   1 
ATOM   251  O  O   . ARG A 1 39  ? -3.01749  -9.07152  -13.92084 1.000 22.64278  ? 46  ARG A O   1 
ATOM   252  C  CB  . ARG A 1 39  ? -2.76560  -9.62660  -10.67169 1.000 24.45387  ? 46  ARG A CB  1 
ATOM   253  C  CG  . ARG A 1 39  ? -2.72517  -8.12301  -10.77969 1.000 27.13846  ? 46  ARG A CG  1 
ATOM   254  C  CD  . ARG A 1 39  ? -1.99694  -7.51687  -9.57604  1.000 32.90059  ? 46  ARG A CD  1 
ATOM   255  N  NE  . ARG A 1 39  ? -0.56854  -7.81046  -9.63223  1.000 38.03938  ? 46  ARG A NE  1 
ATOM   256  C  CZ  . ARG A 1 39  ? 0.26189   -7.73748  -8.60082  1.000 41.92043  ? 46  ARG A CZ  1 
ATOM   257  N  NH1 . ARG A 1 39  ? -0.15859  -7.38585  -7.39559  1.000 38.73904  ? 46  ARG A NH1 1 
ATOM   258  N  NH2 . ARG A 1 39  ? 1.54728   -8.02948  -8.78233  1.000 42.48971  ? 46  ARG A NH2 1 
ATOM   259  N  N   . GLU A 1 40  ? -1.33944  -10.45706 -13.34843 1.000 20.12105  ? 47  GLU A N   1 
ATOM   260  C  CA  . GLU A 1 40  ? -0.51138  -9.99561  -14.45458 1.000 19.68345  ? 47  GLU A CA  1 
ATOM   261  C  C   . GLU A 1 40  ? -1.10854  -10.39672 -15.79027 1.000 21.05443  ? 47  GLU A C   1 
ATOM   262  O  O   . GLU A 1 40  ? -1.07610  -9.61621  -16.75007 1.000 22.13592  ? 47  GLU A O   1 
ATOM   263  C  CB  . GLU A 1 40  ? 0.91058   -10.54159 -14.31482 1.000 19.67539  ? 47  GLU A CB  1 
ATOM   264  C  CG  . GLU A 1 40  ? 1.63614   -10.04116 -13.06812 1.000 25.81361  ? 47  GLU A CG  1 
ATOM   265  C  CD  . GLU A 1 40  ? 1.58727   -8.52800  -12.91640 1.000 32.59385  ? 47  GLU A CD  1 
ATOM   266  O  OE1 . GLU A 1 40  ? 1.68158   -7.81784  -13.93584 1.000 29.67618  ? 47  GLU A OE1 1 
ATOM   267  O  OE2 . GLU A 1 40  ? 1.44979   -8.04499  -11.77224 1.000 32.12633  ? 47  GLU A OE2 1 
ATOM   268  N  N   . LEU A 1 41  ? -1.64080  -11.61812 -15.88207 1.000 18.88525  ? 48  LEU A N   1 
ATOM   269  C  CA  . LEU A 1 41  ? -2.21287  -12.05602 -17.15213 1.000 19.23554  ? 48  LEU A CA  1 
ATOM   270  C  C   . LEU A 1 41  ? -3.52732  -11.34439 -17.44171 1.000 21.40356  ? 48  LEU A C   1 
ATOM   271  O  O   . LEU A 1 41  ? -3.82168  -11.01979 -18.59995 1.000 21.45969  ? 48  LEU A O   1 
ATOM   272  C  CB  . LEU A 1 41  ? -2.40779  -13.57146 -17.15779 1.000 20.02542  ? 48  LEU A CB  1 
ATOM   273  C  CG  . LEU A 1 41  ? -1.11460  -14.38163 -17.05763 1.000 21.18593  ? 48  LEU A CG  1 
ATOM   274  C  CD1 . LEU A 1 41  ? -1.42670  -15.86982 -16.86490 1.000 22.76909  ? 48  LEU A CD1 1 
ATOM   275  C  CD2 . LEU A 1 41  ? -0.24649  -14.16821 -18.28335 1.000 22.81144  ? 48  LEU A CD2 1 
ATOM   276  N  N   . ILE A 1 42  ? -4.33710  -11.10325 -16.40815 1.000 19.15976  ? 49  ILE A N   1 
ATOM   277  C  CA  . ILE A 1 42  ? -5.56815  -10.34734 -16.60750 1.000 22.04956  ? 49  ILE A CA  1 
ATOM   278  C  C   . ILE A 1 42  ? -5.24492  -8.92390  -17.03449 1.000 21.13516  ? 49  ILE A C   1 
ATOM   279  O  O   . ILE A 1 42  ? -5.91204  -8.35366  -17.90592 1.000 20.54045  ? 49  ILE A O   1 
ATOM   280  C  CB  . ILE A 1 42  ? -6.43655  -10.39159 -15.33601 1.000 23.46030  ? 49  ILE A CB  1 
ATOM   281  C  CG1 . ILE A 1 42  ? -7.01670  -11.80324 -15.16450 1.000 19.75918  ? 49  ILE A CG1 1 
ATOM   282  C  CG2 . ILE A 1 42  ? -7.55835  -9.34363  -15.39990 1.000 24.35164  ? 49  ILE A CG2 1 
ATOM   283  C  CD1 . ILE A 1 42  ? -7.78171  -12.02672 -13.85812 1.000 22.94416  ? 49  ILE A CD1 1 
ATOM   284  N  N   . SER A 1 43  ? -4.19057  -8.33842  -16.45729 1.000 19.98378  ? 50  SER A N   1 
ATOM   285  C  CA  . SER A 1 43  ? -3.79840  -6.99580  -16.86407 1.000 22.08351  ? 50  SER A CA  1 
ATOM   286  C  C   . SER A 1 43  ? -3.34195  -6.98599  -18.31996 1.000 22.42820  ? 50  SER A C   1 
ATOM   287  O  O   . SER A 1 43  ? -3.66566  -6.06230  -19.07788 1.000 21.44974  ? 50  SER A O   1 
ATOM   288  C  CB  . SER A 1 43  ? -2.70268  -6.46800  -15.93582 1.000 27.14900  ? 50  SER A CB  1 
ATOM   289  O  OG  . SER A 1 43  ? -2.15756  -5.26367  -16.43605 1.000 31.27886  ? 50  SER A OG  1 
ATOM   290  N  N   . ASN A 1 44  ? -2.59801  -8.01486  -18.73254 1.000 19.95072  ? 51  ASN A N   1 
ATOM   291  C  CA  . ASN A 1 44  ? -2.19640  -8.11727  -20.13215 1.000 19.94785  ? 51  ASN A CA  1 
ATOM   292  C  C   . ASN A 1 44  ? -3.41561  -8.22167  -21.03761 1.000 19.50937  ? 51  ASN A C   1 
ATOM   293  O  O   . ASN A 1 44  ? -3.45404  -7.61344  -22.11527 1.000 20.84741  ? 51  ASN A O   1 
ATOM   294  C  CB  . ASN A 1 44  ? -1.30034  -9.33651  -20.33087 1.000 21.84772  ? 51  ASN A CB  1 
ATOM   295  C  CG  . ASN A 1 44  ? 0.09871   -9.10744  -19.83745 1.000 31.70281  ? 51  ASN A CG  1 
ATOM   296  O  OD1 . ASN A 1 44  ? 0.43195   -8.02020  -19.36802 1.000 29.30931  ? 51  ASN A OD1 1 
ATOM   297  N  ND2 . ASN A 1 44  ? 0.92788   -10.13566 -19.92402 1.000 28.71750  ? 51  ASN A ND2 1 
ATOM   298  N  N   . SER A 1 45  ? -4.41011  -9.01055  -20.62731 1.000 18.32539  ? 52  SER A N   1 
ATOM   299  C  CA  . SER A 1 45  ? -5.62575  -9.12436  -21.42634 1.000 21.73615  ? 52  SER A CA  1 
ATOM   300  C  C   . SER A 1 45  ? -6.34172  -7.78639  -21.50797 1.000 20.69772  ? 52  SER A C   1 
ATOM   301  O  O   . SER A 1 45  ? -6.81466  -7.39128  -22.58148 1.000 20.55887  ? 52  SER A O   1 
ATOM   302  C  CB  . SER A 1 45  ? -6.55643  -10.19055 -20.84305 1.000 20.03201  ? 52  SER A CB  1 
ATOM   303  O  OG  . SER A 1 45  ? -6.02281  -11.49567 -21.00765 1.000 22.78307  ? 52  SER A OG  1 
ATOM   304  N  N   . SER A 1 46  ? -6.42058  -7.06355  -20.38487 1.000 19.63999  ? 53  SER A N   1 
ATOM   305  C  CA  . SER A 1 46  ? -7.06558  -5.75488  -20.41806 1.000 19.42634  ? 53  SER A CA  1 
ATOM   306  C  C   . SER A 1 46  ? -6.33329  -4.80690  -21.36958 1.000 23.41677  ? 53  SER A C   1 
ATOM   307  O  O   . SER A 1 46  ? -6.97308  -4.06540  -22.12648 1.000 22.41981  ? 53  SER A O   1 
ATOM   308  C  CB  . SER A 1 46  ? -7.15151  -5.17177  -19.00219 1.000 19.80337  ? 53  SER A CB  1 
ATOM   309  O  OG  . SER A 1 46  ? -7.63311  -3.83712  -19.02050 1.000 22.89656  ? 53  SER A OG  1 
ATOM   310  N  N   . ASP A 1 47  ? -4.99217  -4.82978  -21.37269 1.000 20.04012  ? 54  ASP A N   1 
ATOM   311  C  CA  . ASP A 1 47  ? -4.25925  -3.97601  -22.30702 1.000 21.69682  ? 54  ASP A CA  1 
ATOM   312  C  C   . ASP A 1 47  ? -4.54547  -4.34782  -23.75311 1.000 23.89376  ? 54  ASP A C   1 
ATOM   313  O  O   . ASP A 1 47  ? -4.63115  -3.46957  -24.62014 1.000 22.55789  ? 54  ASP A O   1 
ATOM   314  C  CB  . ASP A 1 47  ? -2.74796  -4.01883  -22.06113 1.000 20.70283  ? 54  ASP A CB  1 
ATOM   315  C  CG  . ASP A 1 47  ? -2.34503  -3.49572  -20.68935 1.000 28.25121  ? 54  ASP A CG  1 
ATOM   316  O  OD1 . ASP A 1 47  ? -3.09711  -2.68371  -20.10291 1.000 31.53670  ? 54  ASP A OD1 1 
ATOM   317  O  OD2 . ASP A 1 47  ? -1.22626  -3.82741  -20.23979 1.000 31.47863  ? 54  ASP A OD2 1 
ATOM   318  N  N   . ALA A 1 48  ? -4.68078  -5.64576  -24.03686 1.000 20.19902  ? 55  ALA A N   1 
ATOM   319  C  CA  . ALA A 1 48  ? -4.93382  -6.07364  -25.40930 1.000 21.08506  ? 55  ALA A CA  1 
ATOM   320  C  C   . ALA A 1 48  ? -6.34135  -5.69852  -25.84633 1.000 21.05627  ? 55  ALA A C   1 
ATOM   321  O  O   . ALA A 1 48  ? -6.57156  -5.37469  -27.01793 1.000 20.81789  ? 55  ALA A O   1 
ATOM   322  C  CB  . ALA A 1 48  ? -4.71326  -7.58027  -25.54148 1.000 22.05748  ? 55  ALA A CB  1 
ATOM   323  N  N   . LEU A 1 49  ? -7.29492  -5.75092  -24.91466 1.000 21.11718  ? 56  LEU A N   1 
ATOM   324  C  CA  . LEU A 1 49  ? -8.65147  -5.30441  -25.20522 1.000 20.24733  ? 56  LEU A CA  1 
ATOM   325  C  C   . LEU A 1 49  ? -8.69465  -3.79987  -25.43299 1.000 21.53437  ? 56  LEU A C   1 
ATOM   326  O  O   . LEU A 1 49  ? -9.39342  -3.32640  -26.33655 1.000 20.86583  ? 56  LEU A O   1 
ATOM   327  C  CB  . LEU A 1 49  ? -9.58101  -5.71688  -24.06313 1.000 18.71337  ? 56  LEU A CB  1 
ATOM   328  C  CG  . LEU A 1 49  ? -9.83448  -7.22773  -24.00571 1.000 21.05812  ? 56  LEU A CG  1 
ATOM   329  C  CD1 . LEU A 1 49  ? -10.22210 -7.65456  -22.59739 1.000 21.91942  ? 56  LEU A CD1 1 
ATOM   330  C  CD2 . LEU A 1 49  ? -10.91367 -7.63485  -24.99869 1.000 21.49675  ? 56  LEU A CD2 1 
ATOM   331  N  N   . ASP A 1 50  ? -7.95488  -3.02927  -24.62942 1.000 21.07756  ? 57  ASP A N   1 
ATOM   332  C  CA  . ASP A 1 50  ? -7.87483  -1.59015  -24.87539 1.000 20.27473  ? 57  ASP A CA  1 
ATOM   333  C  C   . ASP A 1 50  ? -7.38978  -1.30112  -26.28910 1.000 22.70477  ? 57  ASP A C   1 
ATOM   334  O  O   . ASP A 1 50  ? -7.87044  -0.36629  -26.93616 1.000 22.73606  ? 57  ASP A O   1 
ATOM   335  C  CB  . ASP A 1 50  ? -6.93445  -0.89999  -23.88210 1.000 20.71545  ? 57  ASP A CB  1 
ATOM   336  C  CG  . ASP A 1 50  ? -7.44983  -0.90039  -22.45702 1.000 28.06625  ? 57  ASP A CG  1 
ATOM   337  O  OD1 . ASP A 1 50  ? -8.63415  -1.21473  -22.21870 1.000 29.22863  ? 57  ASP A OD1 1 
ATOM   338  O  OD2 . ASP A 1 50  ? -6.65467  -0.52942  -21.57091 1.000 30.43169  ? 57  ASP A OD2 1 
ATOM   339  N  N   . LYS A 1 51  ? -6.41390  -2.07614  -26.77366 1.000 21.26698  ? 58  LYS A N   1 
ATOM   340  C  CA  . LYS A 1 51  ? -5.82288  -1.78524  -28.07888 1.000 22.45161  ? 58  LYS A CA  1 
ATOM   341  C  C   . LYS A 1 51  ? -6.82894  -1.99221  -29.20131 1.000 23.03682  ? 58  LYS A C   1 
ATOM   342  O  O   . LYS A 1 51  ? -6.92608  -1.16628  -30.11631 1.000 24.85763  ? 58  LYS A O   1 
ATOM   343  C  CB  . LYS A 1 51  ? -4.58416  -2.65509  -28.31105 1.000 21.77040  ? 58  LYS A CB  1 
ATOM   344  C  CG  . LYS A 1 51  ? -3.39625  -2.27671  -27.43819 1.000 25.34299  ? 58  LYS A CG  1 
ATOM   345  C  CD  . LYS A 1 51  ? -2.24266  -3.26220  -27.63303 1.000 27.27361  ? 58  LYS A CD  1 
ATOM   346  C  CE  . LYS A 1 51  ? -1.17674  -3.11083  -26.54989 1.000 34.49770  ? 58  LYS A CE  1 
ATOM   347  N  NZ  . LYS A 1 51  ? -0.03847  -4.05783  -26.76426 1.000 38.26450  ? 58  LYS A NZ  1 
ATOM   348  N  N   . ILE A 1 52  ? -7.56855  -3.10274  -29.17160 1.000 21.65269  ? 59  ILE A N   1 
ATOM   349  C  CA  . ILE A 1 52  ? -8.53287  -3.32025  -30.24533 1.000 23.17560  ? 59  ILE A CA  1 
ATOM   350  C  C   . ILE A 1 52  ? -9.69440  -2.34913  -30.10882 1.000 24.88684  ? 59  ILE A C   1 
ATOM   351  O  O   . ILE A 1 52  ? -10.25124 -1.90116  -31.11616 1.000 23.60081  ? 59  ILE A O   1 
ATOM   352  C  CB  . ILE A 1 52  ? -9.00680  -4.78740  -30.29717 1.000 23.60885  ? 59  ILE A CB  1 
ATOM   353  C  CG1 . ILE A 1 52  ? -9.79532  -5.05946  -31.58583 1.000 27.41414  ? 59  ILE A CG1 1 
ATOM   354  C  CG2 . ILE A 1 52  ? -9.82273  -5.16354  -29.06535 1.000 21.89839  ? 59  ILE A CG2 1 
ATOM   355  C  CD1 . ILE A 1 52  ? -9.00323  -4.79263  -32.87107 1.000 29.08308  ? 59  ILE A CD1 1 
ATOM   356  N  N   . ARG A 1 53  ? -10.06584 -1.97348  -28.88230 1.000 22.71080  ? 60  ARG A N   1 
ATOM   357  C  CA  . ARG A 1 53  ? -11.09359 -0.94594  -28.75310 1.000 21.70769  ? 60  ARG A CA  1 
ATOM   358  C  C   . ARG A 1 53  ? -10.65435 0.36728   -29.38397 1.000 24.94022  ? 60  ARG A C   1 
ATOM   359  O  O   . ARG A 1 53  ? -11.42278 0.98997   -30.12738 1.000 25.14707  ? 60  ARG A O   1 
ATOM   360  C  CB  . ARG A 1 53  ? -11.49303 -0.72788  -27.29457 1.000 25.04660  ? 60  ARG A CB  1 
ATOM   361  C  CG  . ARG A 1 53  ? -12.80913 0.05597   -27.23510 1.000 41.28976  ? 60  ARG A CG  1 
ATOM   362  C  CD  . ARG A 1 53  ? -13.14823 0.60743   -25.87756 1.000 57.21069  ? 60  ARG A CD  1 
ATOM   363  N  NE  . ARG A 1 53  ? -14.23037 -0.15821  -25.27168 1.000 64.00817  ? 60  ARG A NE  1 
ATOM   364  C  CZ  . ARG A 1 53  ? -14.15661 -0.77020  -24.09972 1.000 54.90436  ? 60  ARG A CZ  1 
ATOM   365  N  NH1 . ARG A 1 53  ? -13.06082 -0.71552  -23.36107 1.000 47.05157  ? 60  ARG A NH1 1 
ATOM   366  N  NH2 . ARG A 1 53  ? -15.20432 -1.46590  -23.66561 1.000 42.18577  ? 60  ARG A NH2 1 
ATOM   367  N  N   . TYR A 1 54  ? -9.42630  0.80741   -29.10305 1.000 23.71075  ? 61  TYR A N   1 
ATOM   368  C  CA  . TYR A 1 54  ? -8.95652  2.06421   -29.67391 1.000 24.22750  ? 61  TYR A CA  1 
ATOM   369  C  C   . TYR A 1 54  ? -8.97507  2.01761   -31.19614 1.000 26.86537  ? 61  TYR A C   1 
ATOM   370  O  O   . TYR A 1 54  ? -9.42309  2.96569   -31.85050 1.000 26.38799  ? 61  TYR A O   1 
ATOM   371  C  CB  . TYR A 1 54  ? -7.55241  2.39521   -29.17503 1.000 26.38898  ? 61  TYR A CB  1 
ATOM   372  C  CG  . TYR A 1 54  ? -7.10970  3.74913   -29.66692 1.000 28.69342  ? 61  TYR A CG  1 
ATOM   373  C  CD1 . TYR A 1 54  ? -7.65652  4.91439   -29.13987 1.000 27.99166  ? 61  TYR A CD1 1 
ATOM   374  C  CD2 . TYR A 1 54  ? -6.18991  3.86401   -30.69790 1.000 30.57976  ? 61  TYR A CD2 1 
ATOM   375  C  CE1 . TYR A 1 54  ? -7.27463  6.15241   -29.60715 1.000 30.46036  ? 61  TYR A CE1 1 
ATOM   376  C  CE2 . TYR A 1 54  ? -5.80407  5.09972   -31.17448 1.000 32.59254  ? 61  TYR A CE2 1 
ATOM   377  C  CZ  . TYR A 1 54  ? -6.34920  6.23926   -30.62390 1.000 34.61662  ? 61  TYR A CZ  1 
ATOM   378  O  OH  . TYR A 1 54  ? -5.96722  7.47295   -31.08671 1.000 39.22460  ? 61  TYR A OH  1 
ATOM   379  N  N   . GLU A 1 55  ? -8.48563  0.92029   -31.77692 1.000 26.46082  ? 62  GLU A N   1 
ATOM   380  C  CA  . GLU A 1 55  ? -8.47003  0.79513   -33.23257 1.000 26.21658  ? 62  GLU A CA  1 
ATOM   381  C  C   . GLU A 1 55  ? -9.88068  0.86151   -33.80138 1.000 29.23787  ? 62  GLU A C   1 
ATOM   382  O  O   . GLU A 1 55  ? -10.10627 1.46356   -34.85853 1.000 33.91920  ? 62  GLU A O   1 
ATOM   383  C  CB  . GLU A 1 55  ? -7.78398  -0.51381  -33.62136 1.000 27.92889  ? 62  GLU A CB  1 
ATOM   384  C  CG  . GLU A 1 55  ? -6.27109  -0.40331  -33.64369 1.000 33.17339  ? 62  GLU A CG  1 
ATOM   385  C  CD  . GLU A 1 55  ? -5.60115  -1.57299  -34.33593 1.000 52.18296  ? 62  GLU A CD  1 
ATOM   386  O  OE1 . GLU A 1 55  ? -6.32121  -2.46598  -34.82688 1.000 41.73690  ? 62  GLU A OE1 1 
ATOM   387  O  OE2 . GLU A 1 55  ? -4.35183  -1.60264  -34.38056 1.000 46.94457  ? 62  GLU A OE2 1 
ATOM   388  N  N   . SER A 1 56  ? -10.84962 0.26794   -33.09932 1.000 25.24625  ? 63  SER A N   1 
ATOM   389  C  CA  . SER A 1 56  ? -12.22294 0.24745   -33.59287 1.000 26.86406  ? 63  SER A CA  1 
ATOM   390  C  C   . SER A 1 56  ? -12.87764 1.62009   -33.55248 1.000 28.48568  ? 63  SER A C   1 
ATOM   391  O  O   . SER A 1 56  ? -13.91280 1.81536   -34.19718 1.000 31.55089  ? 63  SER A O   1 
ATOM   392  C  CB  . SER A 1 56  ? -13.06795 -0.73739  -32.78275 1.000 27.77370  ? 63  SER A CB  1 
ATOM   393  O  OG  . SER A 1 56  ? -13.38708 -0.21302  -31.50253 1.000 33.08709  ? 63  SER A OG  1 
ATOM   394  N  N   . LEU A 1 57  ? -12.30703 2.57532   -32.81523 1.000 27.59960  ? 64  LEU A N   1 
ATOM   395  C  CA  . LEU A 1 57  ? -12.93587 3.89005   -32.72281 1.000 31.70884  ? 64  LEU A CA  1 
ATOM   396  C  C   . LEU A 1 57  ? -12.94971 4.60381   -34.06393 1.000 38.76090  ? 64  LEU A C   1 
ATOM   397  O  O   . LEU A 1 57  ? -13.86046 5.39356   -34.33537 1.000 41.87500  ? 64  LEU A O   1 
ATOM   398  C  CB  . LEU A 1 57  ? -12.22542 4.75279   -31.68148 1.000 32.13638  ? 64  LEU A CB  1 
ATOM   399  C  CG  . LEU A 1 57  ? -12.33947 4.25149   -30.24540 1.000 31.27361  ? 64  LEU A CG  1 
ATOM   400  C  CD1 . LEU A 1 57  ? -11.66228 5.22722   -29.30369 1.000 32.71225  ? 64  LEU A CD1 1 
ATOM   401  C  CD2 . LEU A 1 57  ? -13.78958 4.04090   -29.84727 1.000 36.11597  ? 64  LEU A CD2 1 
ATOM   402  N  N   . THR A 1 58  ? -11.95273 4.35074   -34.90929 1.000 31.44955  ? 65  THR A N   1 
ATOM   403  C  CA  . THR A 1 58  ? -11.88606 4.96427   -36.22648 1.000 30.82413  ? 65  THR A CA  1 
ATOM   404  C  C   . THR A 1 58  ? -12.12347 3.97622   -37.35916 1.000 43.62755  ? 65  THR A C   1 
ATOM   405  O  O   . THR A 1 58  ? -12.30001 4.40539   -38.50430 1.000 44.15856  ? 65  THR A O   1 
ATOM   406  C  CB  . THR A 1 58  ? -10.52649 5.65442   -36.42755 1.000 51.13244  ? 65  THR A CB  1 
ATOM   407  O  OG1 . THR A 1 58  ? -9.47115  4.69095   -36.30823 1.000 44.62352  ? 65  THR A OG1 1 
ATOM   408  C  CG2 . THR A 1 58  ? -10.32741 6.75200   -35.39080 1.000 45.72843  ? 65  THR A CG2 1 
ATOM   409  N  N   . ASP A 1 59  ? -12.14102 2.67496   -37.07173 1.000 40.15830  ? 66  ASP A N   1 
ATOM   410  C  CA  . ASP A 1 59  ? -12.38179 1.64698   -38.08257 1.000 36.92678  ? 66  ASP A CA  1 
ATOM   411  C  C   . ASP A 1 59  ? -13.24770 0.56120   -37.45498 1.000 33.27406  ? 66  ASP A C   1 
ATOM   412  O  O   . ASP A 1 59  ? -12.73482 -0.40306  -36.87581 1.000 32.67277  ? 66  ASP A O   1 
ATOM   413  C  CB  . ASP A 1 59  ? -11.06848 1.06619   -38.61120 1.000 37.41554  ? 66  ASP A CB  1 
ATOM   414  C  CG  . ASP A 1 59  ? -11.27601 0.10285   -39.77344 1.000 43.52864  ? 66  ASP A CG  1 
ATOM   415  O  OD1 . ASP A 1 59  ? -12.44047 -0.13852  -40.15401 1.000 46.28811  ? 66  ASP A OD1 1 
ATOM   416  O  OD2 . ASP A 1 59  ? -10.27217 -0.41530  -40.30534 1.000 45.56178  ? 66  ASP A OD2 1 
ATOM   417  N  N   . PRO A 1 60  ? -14.57527 0.70250   -37.53634 1.000 42.29959  ? 67  PRO A N   1 
ATOM   418  C  CA  . PRO A 1 60  ? -15.45614 -0.32233  -36.94412 1.000 38.64279  ? 67  PRO A CA  1 
ATOM   419  C  C   . PRO A 1 60  ? -15.21554 -1.72578  -37.47694 1.000 38.35722  ? 67  PRO A C   1 
ATOM   420  O  O   . PRO A 1 60  ? -15.44713 -2.69796  -36.74633 1.000 39.98878  ? 67  PRO A O   1 
ATOM   421  C  CB  . PRO A 1 60  ? -16.86738 0.16743   -37.30230 1.000 39.02256  ? 67  PRO A CB  1 
ATOM   422  C  CG  . PRO A 1 60  ? -16.71996 1.57861   -37.79075 1.000 58.64041  ? 67  PRO A CG  1 
ATOM   423  C  CD  . PRO A 1 60  ? -15.27676 1.96872   -37.79080 1.000 46.36916  ? 67  PRO A CD  1 
ATOM   424  N  N   . SER A 1 61  ? -14.76567 -1.86768  -38.72838 1.000 37.96657  ? 68  SER A N   1 
ATOM   425  C  CA  . SER A 1 61  ? -14.53620 -3.19522  -39.28702 1.000 38.76349  ? 68  SER A CA  1 
ATOM   426  C  C   . SER A 1 61  ? -13.47880 -3.97858  -38.52216 1.000 35.61287  ? 68  SER A C   1 
ATOM   427  O  O   . SER A 1 61  ? -13.38106 -5.19674  -38.70497 1.000 34.62043  ? 68  SER A O   1 
ATOM   428  C  CB  . SER A 1 61  ? -14.13235 -3.09291  -40.75956 1.000 37.09449  ? 68  SER A CB  1 
ATOM   429  O  OG  . SER A 1 61  ? -12.81953 -2.57666  -40.89292 1.000 41.81092  ? 68  SER A OG  1 
ATOM   430  N  N   . LYS A 1 62  ? -12.68920 -3.32044  -37.66946 1.000 31.38733  ? 69  LYS A N   1 
ATOM   431  C  CA  . LYS A 1 62  ? -11.73776 -4.05042  -36.84456 1.000 27.81137  ? 69  LYS A CA  1 
ATOM   432  C  C   . LYS A 1 62  ? -12.42589 -5.03406  -35.90944 1.000 31.49142  ? 69  LYS A C   1 
ATOM   433  O  O   . LYS A 1 62  ? -11.77103 -5.94699  -35.39755 1.000 31.18801  ? 69  LYS A O   1 
ATOM   434  C  CB  . LYS A 1 62  ? -10.89398 -3.06895  -36.03784 1.000 30.91636  ? 69  LYS A CB  1 
ATOM   435  C  CG  . LYS A 1 62  ? -10.04396 -2.14460  -36.89164 1.000 41.97477  ? 69  LYS A CG  1 
ATOM   436  C  CD  . LYS A 1 62  ? -8.61724  -2.65255  -36.98566 1.000 36.95960  ? 69  LYS A CD  1 
ATOM   437  C  CE  . LYS A 1 62  ? -7.74335  -1.70832  -37.79328 1.000 41.74740  ? 69  LYS A CE  1 
ATOM   438  N  NZ  . LYS A 1 62  ? -6.32448  -2.16554  -37.80502 1.000 50.61923  ? 69  LYS A NZ  1 
ATOM   439  N  N   . LEU A 1 63  ? -13.72353 -4.86541  -35.66076 1.000 29.87963  ? 70  LEU A N   1 
ATOM   440  C  CA  . LEU A 1 63  ? -14.46723 -5.77295  -34.80078 1.000 31.41579  ? 70  LEU A CA  1 
ATOM   441  C  C   . LEU A 1 63  ? -15.29219 -6.78091  -35.58882 1.000 32.52721  ? 70  LEU A C   1 
ATOM   442  O  O   . LEU A 1 63  ? -16.10989 -7.49180  -34.99465 1.000 34.45868  ? 70  LEU A O   1 
ATOM   443  C  CB  . LEU A 1 63  ? -15.36901 -4.98192  -33.84765 1.000 32.26430  ? 70  LEU A CB  1 
ATOM   444  C  CG  . LEU A 1 63  ? -14.65641 -4.03508  -32.87750 1.000 30.67330  ? 70  LEU A CG  1 
ATOM   445  C  CD1 . LEU A 1 63  ? -15.66325 -3.31279  -31.98813 1.000 32.23376  ? 70  LEU A CD1 1 
ATOM   446  C  CD2 . LEU A 1 63  ? -13.64506 -4.80379  -32.04012 1.000 32.65341  ? 70  LEU A CD2 1 
ATOM   447  N  N   . ASP A 1 64  ? -15.09363 -6.86440  -36.90927 1.000 30.62761  ? 71  ASP A N   1 
ATOM   448  C  CA  . ASP A 1 64  ? -15.79052 -7.88194  -37.69257 1.000 38.04572  ? 71  ASP A CA  1 
ATOM   449  C  C   . ASP A 1 64  ? -15.42665 -9.28118  -37.22213 1.000 36.14335  ? 71  ASP A C   1 
ATOM   450  O  O   . ASP A 1 64  ? -16.21514 -10.21922 -37.38842 1.000 38.82157  ? 71  ASP A O   1 
ATOM   451  C  CB  . ASP A 1 64  ? -15.47347 -7.73083  -39.18232 1.000 36.41642  ? 71  ASP A CB  1 
ATOM   452  C  CG  . ASP A 1 64  ? -16.12221 -6.50658  -39.80053 1.000 50.17568  ? 71  ASP A CG  1 
ATOM   453  O  OD1 . ASP A 1 64  ? -17.03376 -5.92648  -39.17223 1.000 49.25534  ? 71  ASP A OD1 1 
ATOM   454  O  OD2 . ASP A 1 64  ? -15.72715 -6.12988  -40.92613 1.000 48.34346  ? 71  ASP A OD2 1 
ATOM   455  N  N   . SER A 1 65  ? -14.24182 -9.43524  -36.63788 1.000 31.39090  ? 72  SER A N   1 
ATOM   456  C  CA  . SER A 1 65  ? -13.76803 -10.68578 -36.06245 1.000 27.64897  ? 72  SER A CA  1 
ATOM   457  C  C   . SER A 1 65  ? -14.31247 -10.94270 -34.66442 1.000 35.45875  ? 72  SER A C   1 
ATOM   458  O  O   . SER A 1 65  ? -13.88829 -11.90681 -34.01786 1.000 37.96556  ? 72  SER A O   1 
ATOM   459  C  CB  . SER A 1 65  ? -12.23765 -10.68593 -36.03517 1.000 31.01915  ? 72  SER A CB  1 
ATOM   460  O  OG  . SER A 1 65  ? -11.75214 -9.47125  -35.48823 1.000 31.43449  ? 72  SER A OG  1 
ATOM   461  N  N   . GLY A 1 66  ? -15.23008 -10.10876 -34.18061 1.000 32.34926  ? 73  GLY A N   1 
ATOM   462  C  CA  . GLY A 1 66  ? -15.80154 -10.29998 -32.86127 1.000 35.12553  ? 73  GLY A CA  1 
ATOM   463  C  C   . GLY A 1 66  ? -16.05993 -8.99054  -32.14770 1.000 32.47706  ? 73  GLY A C   1 
ATOM   464  O  O   . GLY A 1 66  ? -15.12536 -8.22687  -31.89328 1.000 30.20650  ? 73  GLY A O   1 
ATOM   465  N  N   . LYS A 1 67  ? -17.32426 -8.71795  -31.81700 1.000 33.21403  ? 74  LYS A N   1 
ATOM   466  C  CA  . LYS A 1 67  ? -17.66934 -7.44243  -31.19990 1.000 27.32544  ? 74  LYS A CA  1 
ATOM   467  C  C   . LYS A 1 67  ? -17.49295 -7.46238  -29.68594 1.000 29.58336  ? 74  LYS A C   1 
ATOM   468  O  O   . LYS A 1 67  ? -17.27788 -6.40665  -29.08033 1.000 35.69556  ? 74  LYS A O   1 
ATOM   469  C  CB  . LYS A 1 67  ? -19.11259 -7.06929  -31.53792 1.000 31.77577  ? 74  LYS A CB  1 
ATOM   470  C  CG  . LYS A 1 67  ? -19.23586 -5.85505  -32.44158 1.000 54.71617  ? 74  LYS A CG  1 
ATOM   471  C  CD  . LYS A 1 67  ? -18.95667 -6.22707  -33.88880 1.000 59.66691  ? 74  LYS A CD  1 
ATOM   472  C  CE  . LYS A 1 67  ? -19.64842 -5.28240  -34.86216 1.000 65.01680  ? 74  LYS A CE  1 
ATOM   473  N  NZ  . LYS A 1 67  ? -18.98640 -3.94466  -34.90813 1.000 66.75106  ? 74  LYS A NZ  1 
ATOM   474  N  N   . GLU A 1 68  ? -17.58657 -8.63635  -29.06504 1.000 28.77563  ? 75  GLU A N   1 
ATOM   475  C  CA  . GLU A 1 68  ? -17.53442 -8.74366  -27.61277 1.000 26.79768  ? 75  GLU A CA  1 
ATOM   476  C  C   . GLU A 1 68  ? -16.10814 -8.54830  -27.11658 1.000 28.48226  ? 75  GLU A C   1 
ATOM   477  O  O   . GLU A 1 68  ? -15.16773 -9.13339  -27.65763 1.000 31.28614  ? 75  GLU A O   1 
ATOM   478  C  CB  . GLU A 1 68  ? -18.04069 -10.11448 -27.16670 1.000 31.58793  ? 75  GLU A CB  1 
ATOM   479  C  CG  . GLU A 1 68  ? -19.54697 -10.27329 -27.13398 1.000 39.62618  ? 75  GLU A CG  1 
ATOM   480  C  CD  . GLU A 1 68  ? -19.96741 -11.62696 -26.57172 1.000 86.84958  ? 75  GLU A CD  1 
ATOM   481  O  OE1 . GLU A 1 68  ? -19.42994 -12.66539 -27.02349 1.000 57.45580  ? 75  GLU A OE1 1 
ATOM   482  O  OE2 . GLU A 1 68  ? -20.83202 -11.65250 -25.66972 1.000 86.24632  ? 75  GLU A OE2 1 
ATOM   483  N  N   . LEU A 1 69  ? -15.95099 -7.73860  -26.07006 1.000 25.41984  ? 76  LEU A N   1 
ATOM   484  C  CA  . LEU A 1 69  ? -14.64826 -7.49001  -25.45508 1.000 23.96830  ? 76  LEU A CA  1 
ATOM   485  C  C   . LEU A 1 69  ? -14.70594 -8.00929  -24.02334 1.000 21.41310  ? 76  LEU A C   1 
ATOM   486  O  O   . LEU A 1 69  ? -15.33763 -7.38528  -23.16199 1.000 23.52551  ? 76  LEU A O   1 
ATOM   487  C  CB  . LEU A 1 69  ? -14.31522 -5.99849  -25.49345 1.000 25.88210  ? 76  LEU A CB  1 
ATOM   488  C  CG  . LEU A 1 69  ? -14.20102 -5.37527  -26.88850 1.000 28.05253  ? 76  LEU A CG  1 
ATOM   489  C  CD1 . LEU A 1 69  ? -13.76189 -3.92018  -26.78999 1.000 36.78730  ? 76  LEU A CD1 1 
ATOM   490  C  CD2 . LEU A 1 69  ? -13.24264 -6.17058  -27.76471 1.000 27.61472  ? 76  LEU A CD2 1 
ATOM   491  N  N   . HIS A 1 70  ? -14.06478 -9.15047  -23.76595 1.000 22.72810  ? 77  HIS A N   1 
ATOM   492  C  CA  . HIS A 1 70  ? -14.23446 -9.80471  -22.47193 1.000 19.94668  ? 77  HIS A CA  1 
ATOM   493  C  C   . HIS A 1 70  ? -13.03355 -10.67474 -22.14295 1.000 21.90761  ? 77  HIS A C   1 
ATOM   494  O  O   . HIS A 1 70  ? -12.15917 -10.92054 -22.97801 1.000 20.48846  ? 77  HIS A O   1 
ATOM   495  C  CB  . HIS A 1 70  ? -15.51050 -10.65129 -22.44169 1.000 23.34863  ? 77  HIS A CB  1 
ATOM   496  C  CG  . HIS A 1 70  ? -15.51765 -11.76372 -23.44391 1.000 24.06068  ? 77  HIS A CG  1 
ATOM   497  N  ND1 . HIS A 1 70  ? -16.46917 -11.85759 -24.43640 1.000 33.10404  ? 77  HIS A ND1 1 
ATOM   498  C  CD2 . HIS A 1 70  ? -14.70135 -12.83273 -23.60377 1.000 27.20056  ? 77  HIS A CD2 1 
ATOM   499  C  CE1 . HIS A 1 70  ? -16.23366 -12.93125 -25.16880 1.000 29.60200  ? 77  HIS A CE1 1 
ATOM   500  N  NE2 . HIS A 1 70  ? -15.16659 -13.54090 -24.68521 1.000 29.94592  ? 77  HIS A NE2 1 
ATOM   501  N  N   . ILE A 1 71  ? -13.03014 -11.16299 -20.90266 1.000 20.35926  ? 78  ILE A N   1 
ATOM   502  C  CA  . ILE A 1 71  ? -12.00190 -12.05033 -20.37572 1.000 18.59124  ? 78  ILE A CA  1 
ATOM   503  C  C   . ILE A 1 71  ? -12.69541 -13.24235 -19.72842 1.000 20.27646  ? 78  ILE A C   1 
ATOM   504  O  O   . ILE A 1 71  ? -13.58265 -13.06080 -18.88681 1.000 21.76286  ? 78  ILE A O   1 
ATOM   505  C  CB  . ILE A 1 71  ? -11.11475 -11.34075 -19.33468 1.000 21.96064  ? 78  ILE A CB  1 
ATOM   506  C  CG1 . ILE A 1 71  ? -10.43293 -10.11344 -19.94307 1.000 19.78441  ? 78  ILE A CG1 1 
ATOM   507  C  CG2 . ILE A 1 71  ? -10.10036 -12.33288 -18.75572 1.000 19.62428  ? 78  ILE A CG2 1 
ATOM   508  C  CD1 . ILE A 1 71  ? -9.72293  -9.22815  -18.91868 1.000 22.92544  ? 78  ILE A CD1 1 
ATOM   509  N  N   . ASN A 1 72  ? -12.28804 -14.45500 -20.10452 1.000 21.37143  ? 79  ASN A N   1 
ATOM   510  C  CA  . ASN A 1 72  ? -12.81732 -15.67241 -19.49969 1.000 17.89640  ? 79  ASN A CA  1 
ATOM   511  C  C   . ASN A 1 72  ? -11.70248 -16.42301 -18.78197 1.000 22.41531  ? 79  ASN A C   1 
ATOM   512  O  O   . ASN A 1 72  ? -10.58004 -16.51472 -19.28167 1.000 20.70866  ? 79  ASN A O   1 
ATOM   513  C  CB  . ASN A 1 72  ? -13.46549 -16.59361 -20.54544 1.000 19.25317  ? 79  ASN A CB  1 
ATOM   514  C  CG  . ASN A 1 72  ? -14.67380 -15.96837 -21.20723 1.000 22.28888  ? 79  ASN A CG  1 
ATOM   515  O  OD1 . ASN A 1 72  ? -15.38953 -15.16874 -20.60339 1.000 24.21517  ? 79  ASN A OD1 1 
ATOM   516  N  ND2 . ASN A 1 72  ? -14.92357 -16.35385 -22.45316 1.000 24.59025  ? 79  ASN A ND2 1 
ATOM   517  N  N   . LEU A 1 73  ? -12.01651 -16.96105 -17.60785 1.000 18.91038  ? 80  LEU A N   1 
ATOM   518  C  CA  . LEU A 1 73  ? -11.09939 -17.80146 -16.84895 1.000 17.51671  ? 80  LEU A CA  1 
ATOM   519  C  C   . LEU A 1 73  ? -11.68817 -19.20288 -16.83031 1.000 21.06016  ? 80  LEU A C   1 
ATOM   520  O  O   . LEU A 1 73  ? -12.81061 -19.39860 -16.36296 1.000 20.25218  ? 80  LEU A O   1 
ATOM   521  C  CB  . LEU A 1 73  ? -10.92447 -17.27004 -15.42766 1.000 19.80949  ? 80  LEU A CB  1 
ATOM   522  C  CG  . LEU A 1 73  ? -10.58111 -15.78388 -15.29650 1.000 19.73756  ? 80  LEU A CG  1 
ATOM   523  C  CD1 . LEU A 1 73  ? -10.47425 -15.42368 -13.83386 1.000 18.92215  ? 80  LEU A CD1 1 
ATOM   524  C  CD2 . LEU A 1 73  ? -9.27418  -15.45096 -16.02184 1.000 19.92446  ? 80  LEU A CD2 1 
ATOM   525  N  N   . ILE A 1 74  ? -10.94885 -20.17126 -17.36196 1.000 20.44768  ? 81  ILE A N   1 
ATOM   526  C  CA  . ILE A 1 74  ? -11.46471 -21.51428 -17.57049 1.000 20.26522  ? 81  ILE A CA  1 
ATOM   527  C  C   . ILE A 1 74  ? -10.54832 -22.50821 -16.87679 1.000 21.72580  ? 81  ILE A C   1 
ATOM   528  O  O   . ILE A 1 74  ? -9.51174  -22.89991 -17.41466 1.000 21.53044  ? 81  ILE A O   1 
ATOM   529  C  CB  . ILE A 1 74  ? -11.59754 -21.84099 -19.07002 1.000 20.88359  ? 81  ILE A CB  1 
ATOM   530  C  CG1 . ILE A 1 74  ? -12.34452 -20.70783 -19.77731 1.000 22.11664  ? 81  ILE A CG1 1 
ATOM   531  C  CG2 . ILE A 1 74  ? -12.31459 -23.16543 -19.22928 1.000 21.04721  ? 81  ILE A CG2 1 
ATOM   532  C  CD1 . ILE A 1 74  ? -12.50507 -20.89358 -21.28147 1.000 22.59473  ? 81  ILE A CD1 1 
ATOM   533  N  N   . PRO A 1 75  ? -10.91642 -22.97328 -15.68595 1.000 22.48338  ? 82  PRO A N   1 
ATOM   534  C  CA  . PRO A 1 75  ? -10.16167 -24.05129 -15.04639 1.000 21.72629  ? 82  PRO A CA  1 
ATOM   535  C  C   . PRO A 1 75  ? -10.61217 -25.40800 -15.56324 1.000 25.33429  ? 82  PRO A C   1 
ATOM   536  O  O   . PRO A 1 75  ? -11.78983 -25.61812 -15.86548 1.000 27.82914  ? 82  PRO A O   1 
ATOM   537  C  CB  . PRO A 1 75  ? -10.50912 -23.88339 -13.56489 1.000 22.43077  ? 82  PRO A CB  1 
ATOM   538  C  CG  . PRO A 1 75  ? -11.92431 -23.35029 -13.59246 1.000 25.11937  ? 82  PRO A CG  1 
ATOM   539  C  CD  . PRO A 1 75  ? -12.07385 -22.54556 -14.87536 1.000 24.17373  ? 82  PRO A CD  1 
ATOM   540  N  N   . ASN A 1 76  ? -9.65923  -26.33694 -15.66547 1.000 25.02386  ? 83  ASN A N   1 
ATOM   541  C  CA  . ASN A 1 76  ? -9.95890  -27.71161 -16.07529 1.000 25.53830  ? 83  ASN A CA  1 
ATOM   542  C  C   . ASN A 1 76  ? -9.14942  -28.65596 -15.19268 1.000 28.57045  ? 83  ASN A C   1 
ATOM   543  O  O   . ASN A 1 76  ? -7.94611  -28.82770 -15.40309 1.000 28.27394  ? 83  ASN A O   1 
ATOM   544  C  CB  . ASN A 1 76  ? -9.64401  -27.93422 -17.55008 1.000 25.75976  ? 83  ASN A CB  1 
ATOM   545  C  CG  . ASN A 1 76  ? -10.17345 -29.26216 -18.06302 1.000 35.37162  ? 83  ASN A CG  1 
ATOM   546  O  OD1 . ASN A 1 76  ? -9.89958  -30.31760 -17.48986 1.000 36.10565  ? 83  ASN A OD1 1 
ATOM   547  N  ND2 . ASN A 1 76  ? -10.94099 -29.21484 -19.14254 1.000 41.89390  ? 83  ASN A ND2 1 
ATOM   548  N  N   . LYS A 1 77  ? -9.81490  -29.28656 -14.22396 1.000 29.24506  ? 84  LYS A N   1 
ATOM   549  C  CA  . LYS A 1 77  ? -9.09532  -30.15196 -13.29204 1.000 28.15212  ? 84  LYS A CA  1 
ATOM   550  C  C   . LYS A 1 77  ? -8.62717  -31.44310 -13.94779 1.000 35.44990  ? 84  LYS A C   1 
ATOM   551  O  O   . LYS A 1 77  ? -7.62199  -32.01684 -13.51642 1.000 34.18282  ? 84  LYS A O   1 
ATOM   552  C  CB  . LYS A 1 77  ? -9.95899  -30.47254 -12.07349 1.000 32.05853  ? 84  LYS A CB  1 
ATOM   553  C  CG  . LYS A 1 77  ? -10.19028 -29.28684 -11.15777 1.000 37.48033  ? 84  LYS A CG  1 
ATOM   554  C  CD  . LYS A 1 77  ? -10.91879 -29.71534 -9.89429  1.000 41.73871  ? 84  LYS A CD  1 
ATOM   555  C  CE  . LYS A 1 77  ? -11.15376 -28.53977 -8.96484  1.000 41.75998  ? 84  LYS A CE  1 
ATOM   556  N  NZ  . LYS A 1 77  ? -12.02319 -27.51763 -9.60134  1.000 53.20332  ? 84  LYS A NZ  1 
ATOM   557  N  N   . GLN A 1 78  ? -9.33296  -31.92258 -14.97491 1.000 35.18359  ? 85  GLN A N   1 
ATOM   558  C  CA  . GLN A 1 78  ? -8.90256  -33.15221 -15.63661 1.000 40.21060  ? 85  GLN A CA  1 
ATOM   559  C  C   . GLN A 1 78  ? -7.59689  -32.94117 -16.39377 1.000 39.61211  ? 85  GLN A C   1 
ATOM   560  O  O   . GLN A 1 78  ? -6.70396  -33.79613 -16.35361 1.000 41.06296  ? 85  GLN A O   1 
ATOM   561  C  CB  . GLN A 1 78  ? -9.99079  -33.66404 -16.58086 1.000 45.53848  ? 85  GLN A CB  1 
ATOM   562  C  CG  . GLN A 1 78  ? -11.14309 -34.38516 -15.89769 1.000 63.60736  ? 85  GLN A CG  1 
ATOM   563  C  CD  . GLN A 1 78  ? -11.87440 -33.50971 -14.89888 1.000 82.86371  ? 85  GLN A CD  1 
ATOM   564  O  OE1 . GLN A 1 78  ? -11.99070 -33.85249 -13.72109 1.000 82.49400  ? 85  GLN A OE1 1 
ATOM   565  N  NE2 . GLN A 1 78  ? -12.36583 -32.36421 -15.36530 1.000 72.44022  ? 85  GLN A NE2 1 
ATOM   566  N  N   . ASP A 1 79  ? -7.46811  -31.80829 -17.08346 1.000 33.08182  ? 86  ASP A N   1 
ATOM   567  C  CA  . ASP A 1 79  ? -6.25950  -31.46842 -17.82122 1.000 33.93979  ? 86  ASP A CA  1 
ATOM   568  C  C   . ASP A 1 79  ? -5.22624  -30.75693 -16.95964 1.000 29.64359  ? 86  ASP A C   1 
ATOM   569  O  O   . ASP A 1 79  ? -4.09371  -30.56648 -17.41608 1.000 33.24287  ? 86  ASP A O   1 
ATOM   570  C  CB  . ASP A 1 79  ? -6.60607  -30.57763 -19.02082 1.000 34.88908  ? 86  ASP A CB  1 
ATOM   571  C  CG  . ASP A 1 79  ? -7.53090  -31.26265 -20.01341 1.000 49.54513  ? 86  ASP A CG  1 
ATOM   572  O  OD1 . ASP A 1 79  ? -7.74043  -32.49126 -19.89580 1.000 49.90766  ? 86  ASP A OD1 1 
ATOM   573  O  OD2 . ASP A 1 79  ? -8.05585  -30.56539 -20.90841 1.000 42.29322  ? 86  ASP A OD2 1 
ATOM   574  N  N   . ARG A 1 80  ? -5.59293  -30.38567 -15.73172 1.000 30.70141  ? 87  ARG A N   1 
ATOM   575  C  CA  . ARG A 1 80  ? -4.77765  -29.55009 -14.84546 1.000 24.57359  ? 87  ARG A CA  1 
ATOM   576  C  C   . ARG A 1 80  ? -4.29261  -28.29520 -15.56681 1.000 25.98626  ? 87  ARG A C   1 
ATOM   577  O  O   . ARG A 1 80  ? -3.10104  -27.96489 -15.57088 1.000 26.83030  ? 87  ARG A O   1 
ATOM   578  C  CB  . ARG A 1 80  ? -3.60159  -30.32869 -14.24867 1.000 28.52186  ? 87  ARG A CB  1 
ATOM   579  C  CG  . ARG A 1 80  ? -3.15233  -29.73407 -12.91811 1.000 28.01853  ? 87  ARG A CG  1 
ATOM   580  C  CD  . ARG A 1 80  ? -1.71508  -30.04124 -12.56489 1.000 40.61902  ? 87  ARG A CD  1 
ATOM   581  N  NE  . ARG A 1 80  ? -1.46950  -31.46496 -12.40422 1.000 48.15100  ? 87  ARG A NE  1 
ATOM   582  C  CZ  . ARG A 1 80  ? -0.28080  -32.03496 -12.54207 1.000 57.61028  ? 87  ARG A CZ  1 
ATOM   583  N  NH1 . ARG A 1 80  ? 0.79617   -31.32657 -12.84708 1.000 41.54157  ? 87  ARG A NH1 1 
ATOM   584  N  NH2 . ARG A 1 80  ? -0.16716  -33.34578 -12.35839 1.000 57.15276  ? 87  ARG A NH2 1 
ATOM   585  N  N   . THR A 1 81  ? -5.23844  -27.58039 -16.17769 1.000 23.57322  ? 88  THR A N   1 
ATOM   586  C  CA  . THR A 1 81  ? -4.93897  -26.34578 -16.88581 1.000 23.78036  ? 88  THR A CA  1 
ATOM   587  C  C   . THR A 1 81  ? -5.84410  -25.22497 -16.40360 1.000 24.08039  ? 88  THR A C   1 
ATOM   588  O  O   . THR A 1 81  ? -7.01714  -25.44580 -16.09411 1.000 25.27199  ? 88  THR A O   1 
ATOM   589  C  CB  . THR A 1 81  ? -5.10102  -26.49029 -18.40859 1.000 24.37508  ? 88  THR A CB  1 
ATOM   590  O  OG1 . THR A 1 81  ? -6.42385  -26.95426 -18.71602 1.000 26.18734  ? 88  THR A OG1 1 
ATOM   591  C  CG2 . THR A 1 81  ? -4.07597  -27.47130 -18.96747 1.000 27.77664  ? 88  THR A CG2 1 
ATOM   592  N  N   . LEU A 1 82  ? -5.28575  -24.02082 -16.34435 1.000 20.34741  ? 89  LEU A N   1 
ATOM   593  C  CA  . LEU A 1 82  ? -6.05867  -22.79825 -16.17485 1.000 21.19156  ? 89  LEU A CA  1 
ATOM   594  C  C   . LEU A 1 82  ? -5.84502  -21.95410 -17.42187 1.000 21.70496  ? 89  LEU A C   1 
ATOM   595  O  O   . LEU A 1 82  ? -4.70697  -21.62208 -17.76147 1.000 21.14337  ? 89  LEU A O   1 
ATOM   596  C  CB  . LEU A 1 82  ? -5.63985  -22.03211 -14.91983 1.000 25.36742  ? 89  LEU A CB  1 
ATOM   597  C  CG  . LEU A 1 82  ? -6.35399  -20.68653 -14.73387 1.000 18.54945  ? 89  LEU A CG  1 
ATOM   598  C  CD1 . LEU A 1 82  ? -7.85190  -20.89789 -14.56347 1.000 22.21067  ? 89  LEU A CD1 1 
ATOM   599  C  CD2 . LEU A 1 82  ? -5.77665  -19.96259 -13.52697 1.000 21.78348  ? 89  LEU A CD2 1 
ATOM   600  N  N   . THR A 1 83  ? -6.92805  -21.62633 -18.10876 1.000 21.16851  ? 90  THR A N   1 
ATOM   601  C  CA  . THR A 1 83  ? -6.85647  -20.90988 -19.37236 1.000 20.88838  ? 90  THR A CA  1 
ATOM   602  C  C   . THR A 1 83  ? -7.44514  -19.51799 -19.18974 1.000 24.47364  ? 90  THR A C   1 
ATOM   603  O  O   . THR A 1 83  ? -8.53813  -19.37165 -18.62751 1.000 22.39555  ? 90  THR A O   1 
ATOM   604  C  CB  . THR A 1 83  ? -7.60514  -21.67126 -20.46746 1.000 21.62517  ? 90  THR A CB  1 
ATOM   605  O  OG1 . THR A 1 83  ? -6.99883  -22.95506 -20.66669 1.000 24.80151  ? 90  THR A OG1 1 
ATOM   606  C  CG2 . THR A 1 83  ? -7.56632  -20.89554 -21.76432 1.000 23.64329  ? 90  THR A CG2 1 
ATOM   607  N  N   . ILE A 1 84  ? -6.70459  -18.49977 -19.62934 1.000 20.48194  ? 91  ILE A N   1 
ATOM   608  C  CA  . ILE A 1 84  ? -7.15680  -17.10855 -19.60917 1.000 20.16264  ? 91  ILE A CA  1 
ATOM   609  C  C   . ILE A 1 84  ? -7.39879  -16.70230 -21.05921 1.000 23.55725  ? 91  ILE A C   1 
ATOM   610  O  O   . ILE A 1 84  ? -6.45385  -16.63668 -21.85386 1.000 23.02358  ? 91  ILE A O   1 
ATOM   611  C  CB  . ILE A 1 84  ? -6.13716  -16.17113 -18.93938 1.000 23.53505  ? 91  ILE A CB  1 
ATOM   612  C  CG1 . ILE A 1 84  ? -5.95273  -16.50397 -17.45233 1.000 27.30046  ? 91  ILE A CG1 1 
ATOM   613  C  CG2 . ILE A 1 84  ? -6.57928  -14.71959 -19.07705 1.000 22.21364  ? 91  ILE A CG2 1 
ATOM   614  C  CD1 . ILE A 1 84  ? -4.85610  -17.51080 -17.18013 1.000 34.07235  ? 91  ILE A CD1 1 
ATOM   615  N  N   . VAL A 1 85  ? -8.65476  -16.41433 -21.41120 1.000 17.89298  ? 92  VAL A N   1 
ATOM   616  C  CA  . VAL A 1 85  ? -9.03598  -16.08030 -22.78229 1.000 19.27881  ? 92  VAL A CA  1 
ATOM   617  C  C   . VAL A 1 85  ? -9.43754  -14.61625 -22.83302 1.000 22.37150  ? 92  VAL A C   1 
ATOM   618  O  O   . VAL A 1 85  ? -10.22957 -14.16431 -22.00000 1.000 22.92260  ? 92  VAL A O   1 
ATOM   619  C  CB  . VAL A 1 85  ? -10.20553 -16.95635 -23.27529 1.000 23.45996  ? 92  VAL A CB  1 
ATOM   620  C  CG1 . VAL A 1 85  ? -10.51647 -16.66694 -24.74663 1.000 27.01509  ? 92  VAL A CG1 1 
ATOM   621  C  CG2 . VAL A 1 85  ? -9.90727  -18.42344 -23.05447 1.000 29.39767  ? 92  VAL A CG2 1 
ATOM   622  N  N   . ASP A 1 86  ? -8.93574  -13.87895 -23.83039 1.000 20.74539  ? 93  ASP A N   1 
ATOM   623  C  CA  . ASP A 1 86  ? -9.46975  -12.54184 -24.05698 1.000 20.81467  ? 93  ASP A CA  1 
ATOM   624  C  C   . ASP A 1 86  ? -9.75220  -12.38544 -25.54094 1.000 23.72121  ? 93  ASP A C   1 
ATOM   625  O  O   . ASP A 1 86  ? -9.19691  -13.09702 -26.38147 1.000 23.20973  ? 93  ASP A O   1 
ATOM   626  C  CB  . ASP A 1 86  ? -8.53285  -11.38870 -23.64661 1.000 22.61215  ? 93  ASP A CB  1 
ATOM   627  C  CG  . ASP A 1 86  ? -7.18095  -11.44205 -24.34224 1.000 26.20311  ? 93  ASP A CG  1 
ATOM   628  O  OD1 . ASP A 1 86  ? -7.14088  -11.08349 -25.54287 1.000 25.96025  ? 93  ASP A OD1 1 
ATOM   629  O  OD2 . ASP A 1 86  ? -6.16232  -11.77920 -23.70019 1.000 24.11812  ? 93  ASP A OD2 1 
ATOM   630  N  N   . THR A 1 87  ? -10.59647 -11.41512 -25.85844 1.000 20.72360  ? 94  THR A N   1 
ATOM   631  C  CA  . THR A 1 87  ? -10.90442 -11.08571 -27.24257 1.000 18.22286  ? 94  THR A CA  1 
ATOM   632  C  C   . THR A 1 87  ? -10.24413 -9.76749  -27.63550 1.000 23.91558  ? 94  THR A C   1 
ATOM   633  O  O   . THR A 1 87  ? -10.82820 -8.93809  -28.33485 1.000 22.67653  ? 94  THR A O   1 
ATOM   634  C  CB  . THR A 1 87  ? -12.41294 -11.03272 -27.45433 1.000 21.66614  ? 94  THR A CB  1 
ATOM   635  O  OG1 . THR A 1 87  ? -13.00230 -10.19451 -26.45103 1.000 22.38753  ? 94  THR A OG1 1 
ATOM   636  C  CG2 . THR A 1 87  ? -13.01028 -12.44183 -27.32929 1.000 22.58214  ? 94  THR A CG2 1 
ATOM   637  N  N   . GLY A 1 88  ? -9.01168  -9.56486  -27.18075 1.000 21.16084  ? 95  GLY A N   1 
ATOM   638  C  CA  . GLY A 1 88  ? -8.26951  -8.35986  -27.48184 1.000 24.53299  ? 95  GLY A CA  1 
ATOM   639  C  C   . GLY A 1 88  ? -7.67277  -8.39998  -28.87544 1.000 19.56138  ? 95  GLY A C   1 
ATOM   640  O  O   . GLY A 1 88  ? -8.08438  -9.17448  -29.74528 1.000 22.25556  ? 95  GLY A O   1 
ATOM   641  N  N   . ILE A 1 89  ? -6.66394  -7.54809  -29.08098 1.000 19.37486  ? 96  ILE A N   1 
ATOM   642  C  CA  . ILE A 1 89  ? -6.13633  -7.34556  -30.42762 1.000 20.13641  ? 96  ILE A CA  1 
ATOM   643  C  C   . ILE A 1 89  ? -5.37970  -8.56518  -30.93752 1.000 22.67779  ? 96  ILE A C   1 
ATOM   644  O  O   . ILE A 1 89  ? -5.19503  -8.70854  -32.15181 1.000 23.71143  ? 96  ILE A O   1 
ATOM   645  C  CB  . ILE A 1 89  ? -5.25107  -6.08358  -30.45932 1.000 23.69138  ? 96  ILE A CB  1 
ATOM   646  C  CG1 . ILE A 1 89  ? -4.98405  -5.64147  -31.90443 1.000 25.58018  ? 96  ILE A CG1 1 
ATOM   647  C  CG2 . ILE A 1 89  ? -3.94859  -6.30706  -29.68299 1.000 23.52964  ? 96  ILE A CG2 1 
ATOM   648  C  CD1 . ILE A 1 89  ? -4.57654  -4.19254  -32.01504 1.000 28.77527  ? 96  ILE A CD1 1 
ATOM   649  N  N   . GLY A 1 90  ? -4.94816  -9.46059  -30.05085 1.000 21.65038  ? 97  GLY A N   1 
ATOM   650  C  CA  . GLY A 1 90  ? -4.19350  -10.62105 -30.47794 1.000 23.70468  ? 97  GLY A CA  1 
ATOM   651  C  C   . GLY A 1 90  ? -2.77690  -10.25390 -30.86837 1.000 23.64398  ? 97  GLY A C   1 
ATOM   652  O  O   . GLY A 1 90  ? -2.32098  -9.11848  -30.71296 1.000 24.59953  ? 97  GLY A O   1 
ATOM   653  N  N   . MET A 1 91  ? -2.05317  -11.25434 -31.36808 1.000 22.62095  ? 98  MET A N   1 
ATOM   654  C  CA  . MET A 1 91  ? -0.66414  -11.06263 -31.76850 1.000 23.20041  ? 98  MET A CA  1 
ATOM   655  C  C   . MET A 1 91  ? -0.40701  -11.72034 -33.11454 1.000 24.35228  ? 98  MET A C   1 
ATOM   656  O  O   . MET A 1 91  ? -0.94090  -12.79509 -33.40656 1.000 24.19696  ? 98  MET A O   1 
ATOM   657  C  CB  . MET A 1 91  ? 0.32898   -11.64248 -30.73352 1.000 24.50662  ? 98  MET A CB  1 
ATOM   658  C  CG  . MET A 1 91  ? 0.17695   -11.09664 -29.32410 1.000 26.40448  ? 98  MET A CG  1 
ATOM   659  S  SD  . MET A 1 91  ? 1.30075   -11.89560 -28.16212 1.000 25.76592  ? 98  MET A SD  1 
ATOM   660  C  CE  . MET A 1 91  ? 0.19467   -13.14285 -27.50408 1.000 26.56648  ? 98  MET A CE  1 
ATOM   661  N  N   . THR A 1 92  ? 0.43450   -11.07902 -33.92134 1.000 23.00483  ? 99  THR A N   1 
ATOM   662  C  CA  . THR A 1 92  ? 0.91401   -11.67459 -35.15702 1.000 24.65909  ? 99  THR A CA  1 
ATOM   663  C  C   . THR A 1 92  ? 2.01529   -12.68328 -34.84738 1.000 25.69428  ? 99  THR A C   1 
ATOM   664  O  O   . THR A 1 92  ? 2.52796   -12.75620 -33.72811 1.000 27.38860  ? 99  THR A O   1 
ATOM   665  C  CB  . THR A 1 92  ? 1.46057   -10.60678 -36.09572 1.000 29.66401  ? 99  THR A CB  1 
ATOM   666  O  OG1 . THR A 1 92  ? 2.59762   -9.98841  -35.48299 1.000 30.63335  ? 99  THR A OG1 1 
ATOM   667  C  CG2 . THR A 1 92  ? 0.40881   -9.54278  -36.36581 1.000 28.80229  ? 99  THR A CG2 1 
ATOM   668  N  N   . LYS A 1 93  ? 2.38441   -13.46635 -35.86286 1.000 24.87376  ? 100 LYS A N   1 
ATOM   669  C  CA  . LYS A 1 93  ? 3.50307   -14.38973 -35.69716 1.000 25.41844  ? 100 LYS A CA  1 
ATOM   670  C  C   . LYS A 1 93  ? 4.76722   -13.63839 -35.31113 1.000 24.61186  ? 100 LYS A C   1 
ATOM   671  O  O   . LYS A 1 93  ? 5.51810   -14.07689 -34.43194 1.000 24.82729  ? 100 LYS A O   1 
ATOM   672  C  CB  . LYS A 1 93  ? 3.73245   -15.19084 -36.97904 1.000 26.78239  ? 100 LYS A CB  1 
ATOM   673  C  CG  . LYS A 1 93  ? 4.83731   -16.23562 -36.84087 1.000 27.30013  ? 100 LYS A CG  1 
ATOM   674  C  CD  . LYS A 1 93  ? 5.10805   -16.95661 -38.15833 1.000 29.20014  ? 100 LYS A CD  1 
ATOM   675  C  CE  . LYS A 1 93  ? 6.04713   -18.13219 -37.94355 1.000 33.76738  ? 100 LYS A CE  1 
ATOM   676  N  NZ  . LYS A 1 93  ? 6.74463   -18.52122 -39.19763 1.000 39.24921  ? 100 LYS A NZ  1 
ATOM   677  N  N   . ALA A 1 94  ? 5.01091   -12.49333 -35.95234 1.000 27.30076  ? 101 ALA A N   1 
ATOM   678  C  CA  . ALA A 1 94  ? 6.17713   -11.68974 -35.60534 1.000 27.71645  ? 101 ALA A CA  1 
ATOM   679  C  C   . ALA A 1 94  ? 6.10289   -11.21789 -34.15925 1.000 26.49326  ? 101 ALA A C   1 
ATOM   680  O  O   . ALA A 1 94  ? 7.11869   -11.19904 -33.45460 1.000 29.27991  ? 101 ALA A O   1 
ATOM   681  C  CB  . ALA A 1 94  ? 6.29889   -10.50318 -36.56217 1.000 29.40875  ? 101 ALA A CB  1 
ATOM   682  N  N   . ASP A 1 95  ? 4.90322   -10.84440 -33.69691 1.000 26.06549  ? 102 ASP A N   1 
ATOM   683  C  CA  . ASP A 1 95  ? 4.72612   -10.47119 -32.29403 1.000 28.79843  ? 102 ASP A CA  1 
ATOM   684  C  C   . ASP A 1 95  ? 5.08320   -11.62242 -31.36512 1.000 25.73715  ? 102 ASP A C   1 
ATOM   685  O  O   . ASP A 1 95  ? 5.77362   -11.43084 -30.35716 1.000 26.50089  ? 102 ASP A O   1 
ATOM   686  C  CB  . ASP A 1 95  ? 3.28607   -10.02342 -32.03211 1.000 28.20028  ? 102 ASP A CB  1 
ATOM   687  C  CG  . ASP A 1 95  ? 2.96875   -8.67574  -32.63460 1.000 32.47256  ? 102 ASP A CG  1 
ATOM   688  O  OD1 . ASP A 1 95  ? 3.90384   -7.87342  -32.84334 1.000 38.75500  ? 102 ASP A OD1 1 
ATOM   689  O  OD2 . ASP A 1 95  ? 1.77168   -8.40774  -32.87782 1.000 32.88233  ? 102 ASP A OD2 1 
ATOM   690  N  N   . LEU A 1 96  ? 4.58867   -12.82650 -31.66785 1.000 22.55464  ? 103 LEU A N   1 
ATOM   691  C  CA  . LEU A 1 96  ? 4.87054   -13.97086 -30.80720 1.000 24.81460  ? 103 LEU A CA  1 
ATOM   692  C  C   . LEU A 1 96  ? 6.36501   -14.19932 -30.67610 1.000 27.89821  ? 103 LEU A C   1 
ATOM   693  O  O   . LEU A 1 96  ? 6.87377   -14.39405 -29.56876 1.000 25.45464  ? 103 LEU A O   1 
ATOM   694  C  CB  . LEU A 1 96  ? 4.20608   -15.23249 -31.35261 1.000 26.26399  ? 103 LEU A CB  1 
ATOM   695  C  CG  . LEU A 1 96  ? 2.71853   -15.40572 -31.10123 1.000 26.57515  ? 103 LEU A CG  1 
ATOM   696  C  CD1 . LEU A 1 96  ? 2.22409   -16.65747 -31.83414 1.000 26.15206  ? 103 LEU A CD1 1 
ATOM   697  C  CD2 . LEU A 1 96  ? 2.42361   -15.48174 -29.60041 1.000 22.04129  ? 103 LEU A CD2 1 
ATOM   698  N  N   . ILE A 1 97  ? 7.08472   -14.17548 -31.79865 1.000 23.12959  ? 104 ILE A N   1 
ATOM   699  C  CA  . ILE A 1 97  ? 8.51823   -14.44438 -31.76699 1.000 23.58667  ? 104 ILE A CA  1 
ATOM   700  C  C   . ILE A 1 97  ? 9.24866   -13.33686 -31.01814 1.000 28.70415  ? 104 ILE A C   1 
ATOM   701  O  O   . ILE A 1 97  ? 10.20407  -13.59243 -30.27159 1.000 28.01192  ? 104 ILE A O   1 
ATOM   702  C  CB  . ILE A 1 97  ? 9.04594   -14.61141 -33.20254 1.000 27.98945  ? 104 ILE A CB  1 
ATOM   703  C  CG1 . ILE A 1 97  ? 8.47331   -15.88453 -33.82928 1.000 25.86365  ? 104 ILE A CG1 1 
ATOM   704  C  CG2 . ILE A 1 97  ? 10.57382  -14.63185 -33.21803 1.000 27.28072  ? 104 ILE A CG2 1 
ATOM   705  C  CD1 . ILE A 1 97  ? 8.58846   -15.92126 -35.34813 1.000 31.36060  ? 104 ILE A CD1 1 
ATOM   706  N  N   . ASN A 1 98  ? 8.79574   -12.09705 -31.18653 1.000 24.16832  ? 105 ASN A N   1 
ATOM   707  C  CA  . ASN A 1 98  ? 9.39265   -10.94367 -30.52913 1.000 27.57354  ? 105 ASN A CA  1 
ATOM   708  C  C   . ASN A 1 98  ? 8.88262   -10.82700 -29.09748 1.000 26.41380  ? 105 ASN A C   1 
ATOM   709  O  O   . ASN A 1 98  ? 8.34813   -9.78747  -28.70195 1.000 25.99934  ? 105 ASN A O   1 
ATOM   710  C  CB  . ASN A 1 98  ? 9.08894   -9.67020  -31.32101 1.000 31.00385  ? 105 ASN A CB  1 
ATOM   711  C  CG  . ASN A 1 98  ? 10.08140  -8.56226  -31.04679 1.000 55.85551  ? 105 ASN A CG  1 
ATOM   712  O  OD1 . ASN A 1 98  ? 11.07751  -8.75327  -30.33953 1.000 53.39449  ? 105 ASN A OD1 1 
ATOM   713  N  ND2 . ASN A 1 98  ? 9.81501   -7.38966  -31.60707 1.000 54.13509  ? 105 ASN A ND2 1 
ATOM   714  N  N   . ASN A 1 99  ? 9.02380   -11.90855 -28.33289 1.000 25.33562  ? 106 ASN A N   1 
ATOM   715  C  CA  . ASN A 1 99  ? 8.70087   -11.93824 -26.90678 1.000 23.74945  ? 106 ASN A CA  1 
ATOM   716  C  C   . ASN A 1 99  ? 7.24350   -11.56636 -26.63920 1.000 26.98761  ? 106 ASN A C   1 
ATOM   717  O  O   . ASN A 1 99  ? 6.93124   -10.80478 -25.72072 1.000 24.50365  ? 106 ASN A O   1 
ATOM   718  C  CB  . ASN A 1 99  ? 9.65432   -11.04188 -26.11510 1.000 23.92700  ? 106 ASN A CB  1 
ATOM   719  C  CG  . ASN A 1 99  ? 11.09619  -11.50676 -26.21541 1.000 22.01793  ? 106 ASN A CG  1 
ATOM   720  O  OD1 . ASN A 1 99  ? 11.39674  -12.68358 -25.99881 1.000 25.32686  ? 106 ASN A OD1 1 
ATOM   721  N  ND2 . ASN A 1 99  ? 11.99483  -10.58468 -26.53425 1.000 26.92741  ? 106 ASN A ND2 1 
ATOM   722  N  N   . LEU A 1 100 ? 6.34420   -12.12783 -27.44869 1.000 23.10215  ? 107 LEU A N   1 
ATOM   723  C  CA  . LEU A 1 100 ? 4.90115   -11.95833 -27.26179 1.000 25.92275  ? 107 LEU A CA  1 
ATOM   724  C  C   . LEU A 1 100 ? 4.51455   -10.48245 -27.20852 1.000 26.14418  ? 107 LEU A C   1 
ATOM   725  O  O   . LEU A 1 100 ? 3.71879   -10.05143 -26.37109 1.000 26.62324  ? 107 LEU A O   1 
ATOM   726  C  CB  . LEU A 1 100 ? 4.41998   -12.70403 -26.01407 1.000 23.31819  ? 107 LEU A CB  1 
ATOM   727  C  CG  . LEU A 1 100 ? 4.73806   -14.20639 -26.08296 1.000 26.32225  ? 107 LEU A CG  1 
ATOM   728  C  CD1 . LEU A 1 100 ? 5.91416   -14.57046 -25.18732 1.000 29.92762  ? 107 LEU A CD1 1 
ATOM   729  C  CD2 . LEU A 1 100 ? 3.53582   -15.06230 -25.74860 1.000 33.86046  ? 107 LEU A CD2 1 
ATOM   730  N  N   . GLY A 1 101 ? 5.08218   -9.69985  -28.12459 1.000 23.92388  ? 108 GLY A N   1 
ATOM   731  C  CA  . GLY A 1 101 ? 4.71212   -8.30507  -28.25496 1.000 27.28475  ? 108 GLY A CA  1 
ATOM   732  C  C   . GLY A 1 101 ? 5.22452   -7.38955  -27.16769 1.000 27.68356  ? 108 GLY A C   1 
ATOM   733  O  O   . GLY A 1 101 ? 4.70609   -6.27829  -27.01580 1.000 35.60281  ? 108 GLY A O   1 
ATOM   734  N  N   . THR A 1 102 ? 6.23504   -7.81350  -26.41298 1.000 28.92620  ? 109 THR A N   1 
ATOM   735  C  CA  . THR A 1 102 ? 6.77034   -7.03391  -25.30788 1.000 30.30368  ? 109 THR A CA  1 
ATOM   736  C  C   . THR A 1 102 ? 8.17690   -6.55410  -25.63515 1.000 28.87486  ? 109 THR A C   1 
ATOM   737  O  O   . THR A 1 102 ? 8.84302   -7.07407  -26.53341 1.000 28.29729  ? 109 THR A O   1 
ATOM   738  C  CB  . THR A 1 102 ? 6.80998   -7.85374  -24.01334 1.000 29.65301  ? 109 THR A CB  1 
ATOM   739  O  OG1 . THR A 1 102 ? 7.83301   -8.85321  -24.11140 1.000 28.38397  ? 109 THR A OG1 1 
ATOM   740  C  CG2 . THR A 1 102 ? 5.46650   -8.53191  -23.75168 1.000 32.76799  ? 109 THR A CG2 1 
ATOM   741  N  N   . ILE A 1 103 ? 8.62661   -5.55088  -24.88509 1.000 22.22599  ? 110 ILE A N   1 
ATOM   742  C  CA  . ILE A 1 103 ? 10.02040  -5.11922  -24.95016 1.000 24.70612  ? 110 ILE A CA  1 
ATOM   743  C  C   . ILE A 1 103 ? 10.78261  -5.82894  -23.83896 1.000 29.70680  ? 110 ILE A C   1 
ATOM   744  O  O   . ILE A 1 103 ? 11.37047  -5.19706  -22.95023 1.000 26.41117  ? 110 ILE A O   1 
ATOM   745  C  CB  . ILE A 1 103 ? 10.15286  -3.58665  -24.86930 1.000 32.66795  ? 110 ILE A CB  1 
ATOM   746  C  CG1 . ILE A 1 103 ? 9.43468   -3.02376  -23.64205 1.000 31.71470  ? 110 ILE A CG1 1 
ATOM   747  C  CG2 . ILE A 1 103 ? 9.64454   -2.94380  -26.15732 1.000 32.53178  ? 110 ILE A CG2 1 
ATOM   748  C  CD1 . ILE A 1 103 ? 9.72064   -1.55989  -23.41669 1.000 44.48796  ? 110 ILE A CD1 1 
ATOM   749  N  N   . ALA A 1 104 ? 10.79724  -7.16107  -23.90877 1.000 25.57446  ? 111 ALA A N   1 
ATOM   750  C  CA  . ALA A 1 104 ? 11.22934  -7.95716  -22.76917 1.000 25.04792  ? 111 ALA A CA  1 
ATOM   751  C  C   . ALA A 1 104 ? 12.70501  -7.76060  -22.43975 1.000 22.06748  ? 111 ALA A C   1 
ATOM   752  O  O   . ALA A 1 104 ? 13.08172  -7.86745  -21.27005 1.000 25.21258  ? 111 ALA A O   1 
ATOM   753  C  CB  . ALA A 1 104 ? 10.92185  -9.43473  -23.01902 1.000 27.66511  ? 111 ALA A CB  1 
ATOM   754  N  N   . LYS A 1 105 ? 13.55715  -7.48818  -23.43174 1.000 24.68900  ? 112 LYS A N   1 
ATOM   755  C  CA  . LYS A 1 105 ? 14.97494  -7.31373  -23.12702 1.000 29.16565  ? 112 LYS A CA  1 
ATOM   756  C  C   . LYS A 1 105 ? 15.19594  -6.08438  -22.25245 1.000 32.07529  ? 112 LYS A C   1 
ATOM   757  O  O   . LYS A 1 105 ? 15.80873  -6.17398  -21.18338 1.000 28.42795  ? 112 LYS A O   1 
ATOM   758  C  CB  . LYS A 1 105 ? 15.80494  -7.22260  -24.41367 1.000 27.33577  ? 112 LYS A CB  1 
ATOM   759  C  CG  . LYS A 1 105 ? 17.30323  -7.17060  -24.16934 1.000 41.82054  ? 112 LYS A CG  1 
ATOM   760  C  CD  . LYS A 1 105 ? 18.09793  -7.20992  -25.47884 1.000 36.85178  ? 112 LYS A CD  1 
ATOM   761  C  CE  . LYS A 1 105 ? 19.59517  -7.14262  -25.23336 1.000 60.68962  ? 112 LYS A CE  1 
ATOM   762  N  NZ  . LYS A 1 105 ? 19.93327  -6.68584  -23.85502 1.000 68.39352  ? 112 LYS A NZ  1 
ATOM   763  N  N   . SER A 1 106 ? 14.69117  -4.92549  -22.67955 1.000 28.70349  ? 113 SER A N   1 
ATOM   764  C  CA  . SER A 1 106 ? 14.87583  -3.72580  -21.87031 1.000 29.49013  ? 113 SER A CA  1 
ATOM   765  C  C   . SER A 1 106 ? 14.02029  -3.77511  -20.61234 1.000 29.24307  ? 113 SER A C   1 
ATOM   766  O  O   . SER A 1 106 ? 14.43126  -3.26043  -19.56766 1.000 33.69667  ? 113 SER A O   1 
ATOM   767  C  CB  . SER A 1 106 ? 14.55797  -2.47403  -22.69063 1.000 36.02240  ? 113 SER A CB  1 
ATOM   768  O  OG  . SER A 1 106 ? 13.21053  -2.48327  -23.12800 1.000 38.31739  ? 113 SER A OG  1 
ATOM   769  N  N   . GLY A 1 107 ? 12.83715  -4.39024  -20.69394 1.000 26.62567  ? 114 GLY A N   1 
ATOM   770  C  CA  . GLY A 1 107 ? 12.00663  -4.54210  -19.50779 1.000 29.73811  ? 114 GLY A CA  1 
ATOM   771  C  C   . GLY A 1 107 ? 12.66210  -5.39484  -18.43803 1.000 30.44534  ? 114 GLY A C   1 
ATOM   772  O  O   . GLY A 1 107 ? 12.61592  -5.06252  -17.24978 1.000 29.64248  ? 114 GLY A O   1 
ATOM   773  N  N   . THR A 1 108 ? 13.27708  -6.51178  -18.84101 1.000 28.44409  ? 115 THR A N   1 
ATOM   774  C  CA  . THR A 1 108 ? 14.00776  -7.34102  -17.88802 1.000 28.70521  ? 115 THR A CA  1 
ATOM   775  C  C   . THR A 1 108 ? 15.14952  -6.56394  -17.24734 1.000 32.51007  ? 115 THR A C   1 
ATOM   776  O  O   . THR A 1 108 ? 15.37211  -6.66127  -16.03474 1.000 31.64908  ? 115 THR A O   1 
ATOM   777  C  CB  . THR A 1 108 ? 14.54418  -8.59318  -18.58263 1.000 29.24852  ? 115 THR A CB  1 
ATOM   778  O  OG1 . THR A 1 108 ? 13.44440  -9.37405  -19.06107 1.000 27.20606  ? 115 THR A OG1 1 
ATOM   779  C  CG2 . THR A 1 108 ? 15.36948  -9.43018  -17.62804 1.000 30.64854  ? 115 THR A CG2 1 
ATOM   780  N  N   . LYS A 1 109 ? 15.88200  -5.78435  -18.04797 1.000 30.30394  ? 116 LYS A N   1 
ATOM   781  C  CA  . LYS A 1 109 ? 16.96963  -4.97383  -17.51081 1.000 31.55264  ? 116 LYS A CA  1 
ATOM   782  C  C   . LYS A 1 109 ? 16.45059  -3.97742  -16.47822 1.000 35.21474  ? 116 LYS A C   1 
ATOM   783  O  O   . LYS A 1 109 ? 17.03555  -3.82053  -15.39908 1.000 42.06147  ? 116 LYS A O   1 
ATOM   784  C  CB  . LYS A 1 109 ? 17.69087  -4.25781  -18.65620 1.000 31.47830  ? 116 LYS A CB  1 
ATOM   785  C  CG  . LYS A 1 109 ? 18.83130  -3.33588  -18.24290 1.000 50.87384  ? 116 LYS A CG  1 
ATOM   786  C  CD  . LYS A 1 109 ? 19.24433  -2.44652  -19.41157 1.000 49.05432  ? 116 LYS A CD  1 
ATOM   787  C  CE  . LYS A 1 109 ? 20.23557  -1.36813  -18.99652 1.000 53.24499  ? 116 LYS A CE  1 
ATOM   788  N  NZ  . LYS A 1 109 ? 21.29949  -1.92166  -18.11646 1.000 57.56728  ? 116 LYS A NZ  1 
ATOM   789  N  N   . ALA A 1 110 ? 15.34568  -3.29540  -16.79243 1.000 34.77606  ? 117 ALA A N   1 
ATOM   790  C  CA  . ALA A 1 110 ? 14.77985  -2.32846  -15.85417 1.000 35.36297  ? 117 ALA A CA  1 
ATOM   791  C  C   . ALA A 1 110 ? 14.25917  -3.01583  -14.59724 1.000 34.68483  ? 117 ALA A C   1 
ATOM   792  O  O   . ALA A 1 110 ? 14.46527  -2.52092  -13.48242 1.000 40.94849  ? 117 ALA A O   1 
ATOM   793  C  CB  . ALA A 1 110 ? 13.66519  -1.52662  -16.53001 1.000 34.42139  ? 117 ALA A CB  1 
ATOM   794  N  N   . PHE A 1 111 ? 13.57283  -4.15137  -14.76048 1.000 33.58896  ? 118 PHE A N   1 
ATOM   795  C  CA  . PHE A 1 111 ? 13.11493  -4.93177  -13.61221 1.000 28.96464  ? 118 PHE A CA  1 
ATOM   796  C  C   . PHE A 1 111 ? 14.29072  -5.33658  -12.73183 1.000 38.63675  ? 118 PHE A C   1 
ATOM   797  O  O   . PHE A 1 111 ? 14.23302  -5.20574  -11.50349 1.000 37.87803  ? 118 PHE A O   1 
ATOM   798  C  CB  . PHE A 1 111 ? 12.34585  -6.15785  -14.11879 1.000 27.71161  ? 118 PHE A CB  1 
ATOM   799  C  CG  . PHE A 1 111 ? 11.73549  -7.01634  -13.04183 1.000 31.23949  ? 118 PHE A CG  1 
ATOM   800  C  CD1 . PHE A 1 111 ? 11.15494  -6.45719  -11.91433 1.000 30.89188  ? 118 PHE A CD1 1 
ATOM   801  C  CD2 . PHE A 1 111 ? 11.68594  -8.39379  -13.19642 1.000 31.97243  ? 118 PHE A CD2 1 
ATOM   802  C  CE1 . PHE A 1 111 ? 10.56701  -7.25457  -10.94960 1.000 35.80923  ? 118 PHE A CE1 1 
ATOM   803  C  CE2 . PHE A 1 111 ? 11.10060  -9.19714  -12.23295 1.000 39.99750  ? 118 PHE A CE2 1 
ATOM   804  C  CZ  . PHE A 1 111 ? 10.53903  -8.62395  -11.10352 1.000 29.97399  ? 118 PHE A CZ  1 
ATOM   805  N  N   . MET A 1 112 ? 15.38061  -5.79499  -13.35111 1.000 37.90916  ? 119 MET A N   1 
ATOM   806  C  CA  . MET A 1 112 ? 16.57866  -6.15980  -12.59913 1.000 43.60885  ? 119 MET A CA  1 
ATOM   807  C  C   . MET A 1 112 ? 17.13713  -4.95562  -11.85238 1.000 48.01444  ? 119 MET A C   1 
ATOM   808  O  O   . MET A 1 112 ? 17.48651  -5.04705  -10.66839 1.000 43.93527  ? 119 MET A O   1 
ATOM   809  C  CB  . MET A 1 112 ? 17.62869  -6.71420  -13.55751 1.000 40.18331  ? 119 MET A CB  1 
ATOM   810  C  CG  . MET A 1 112 ? 17.36479  -8.12190  -14.04342 1.000 39.38631  ? 119 MET A CG  1 
ATOM   811  S  SD  . MET A 1 112 ? 16.46325  -9.21215  -12.93281 1.000 47.88966  ? 119 MET A SD  1 
ATOM   812  C  CE  . MET A 1 112 ? 17.26319  -10.73766 -13.42243 1.000 67.19556  ? 119 MET A CE  1 
ATOM   813  N  N   . GLU A 1 113 ? 17.23957  -3.81673  -12.53998 1.000 42.78079  ? 120 GLU A N   1 
ATOM   814  C  CA  . GLU A 1 113 ? 17.76602  -2.60714  -11.91553 1.000 46.95799  ? 120 GLU A CA  1 
ATOM   815  C  C   . GLU A 1 113 ? 16.86098  -2.12769  -10.78743 1.000 61.46899  ? 120 GLU A C   1 
ATOM   816  O  O   . GLU A 1 113 ? 17.34113  -1.61141  -9.77101  1.000 54.15144  ? 120 GLU A O   1 
ATOM   817  C  CB  . GLU A 1 113 ? 17.93145  -1.51086  -12.96839 1.000 63.66947  ? 120 GLU A CB  1 
ATOM   818  C  CG  . GLU A 1 113 ? 19.15728  -1.66071  -13.84956 1.000 59.03189  ? 120 GLU A CG  1 
ATOM   819  C  CD  . GLU A 1 113 ? 19.06801  -0.82682  -15.11625 1.000 75.44273  ? 120 GLU A CD  1 
ATOM   820  O  OE1 . GLU A 1 113 ? 17.95720  -0.35692  -15.44664 1.000 65.33445  ? 120 GLU A OE1 1 
ATOM   821  O  OE2 . GLU A 1 113 ? 20.10813  -0.64310  -15.78329 1.000 70.86279  ? 120 GLU A OE2 1 
ATOM   822  N  N   . ALA A 1 114 ? 15.54558  -2.28458  -10.95039 1.000 47.07312  ? 121 ALA A N   1 
ATOM   823  C  CA  . ALA A 1 114 ? 14.62218  -1.84983  -9.90908  1.000 49.40295  ? 121 ALA A CA  1 
ATOM   824  C  C   . ALA A 1 114 ? 14.73075  -2.72859  -8.67197  1.000 56.18364  ? 121 ALA A C   1 
ATOM   825  O  O   . ALA A 1 114 ? 14.63346  -2.23355  -7.54300  1.000 54.27890  ? 121 ALA A O   1 
ATOM   826  C  CB  . ALA A 1 114 ? 13.19319  -1.85336  -10.43947 1.000 42.61996  ? 121 ALA A CB  1 
ATOM   827  N  N   . LEU A 1 115 ? 14.92535  -4.03508  -8.86304  1.000 39.83531  ? 122 LEU A N   1 
ATOM   828  C  CA  . LEU A 1 115 ? 15.05080  -4.93555  -7.72051  1.000 41.57841  ? 122 LEU A CA  1 
ATOM   829  C  C   . LEU A 1 115 ? 16.29092  -4.61733  -6.90261  1.000 49.24483  ? 122 LEU A C   1 
ATOM   830  O  O   . LEU A 1 115 ? 16.27671  -4.72658  -5.67137  1.000 54.66298  ? 122 LEU A O   1 
ATOM   831  C  CB  . LEU A 1 115 ? 15.08325  -6.37983  -8.20260  1.000 39.70889  ? 122 LEU A CB  1 
ATOM   832  C  CG  . LEU A 1 115 ? 13.75969  -6.82380  -8.81757  1.000 43.45544  ? 122 LEU A CG  1 
ATOM   833  C  CD1 . LEU A 1 115 ? 13.91707  -8.20116  -9.33952  1.000 38.91946  ? 122 LEU A CD1 1 
ATOM   834  C  CD2 . LEU A 1 115 ? 12.63973  -6.78614  -7.78852  1.000 37.28959  ? 122 LEU A CD2 1 
ATOM   835  N  N   . GLN A 1 116 ? 17.37790  -4.22425  -7.56866  1.000 55.03977  ? 123 GLN A N   1 
ATOM   836  C  CA  . GLN A 1 116 ? 18.56008  -3.79670  -6.83206  1.000 58.98781  ? 123 GLN A CA  1 
ATOM   837  C  C   . GLN A 1 116 ? 18.30365  -2.50325  -6.07156  1.000 57.53436  ? 123 GLN A C   1 
ATOM   838  O  O   . GLN A 1 116 ? 18.94252  -2.25209  -5.04339  1.000 65.65295  ? 123 GLN A O   1 
ATOM   839  C  CB  . GLN A 1 116 ? 19.74440  -3.63603  -7.78467  1.000 66.72478  ? 123 GLN A CB  1 
ATOM   840  C  CG  . GLN A 1 116 ? 20.31171  -4.95249  -8.29051  1.000 74.72253  ? 123 GLN A CG  1 
ATOM   841  C  CD  . GLN A 1 116 ? 20.35001  -6.02994  -7.21699  1.000 90.44430  ? 123 GLN A CD  1 
ATOM   842  O  OE1 . GLN A 1 116 ? 21.27119  -6.07590  -6.39958  1.000 87.37199  ? 123 GLN A OE1 1 
ATOM   843  N  NE2 . GLN A 1 116 ? 19.35295  -6.91073  -7.22338  1.000 83.87741  ? 123 GLN A NE2 1 
ATOM   844  N  N   . ALA A 1 117 ? 17.37280  -1.68183  -6.55097  1.000 58.76161  ? 124 ALA A N   1 
ATOM   845  C  CA  . ALA A 1 117 ? 17.03843  -0.41334  -5.92049  1.000 64.95836  ? 124 ALA A CA  1 
ATOM   846  C  C   . ALA A 1 117 ? 15.88601  -0.52561  -4.92590  1.000 57.11256  ? 124 ALA A C   1 
ATOM   847  O  O   . ALA A 1 117 ? 15.41264  0.50099   -4.42847  1.000 58.95177  ? 124 ALA A O   1 
ATOM   848  C  CB  . ALA A 1 117 ? 16.70723  0.63136   -6.98982  1.000 66.93228  ? 124 ALA A CB  1 
ATOM   849  N  N   . GLY A 1 118 ? 15.42440  -1.73385  -4.62753  1.000 53.66961  ? 125 GLY A N   1 
ATOM   850  C  CA  . GLY A 1 118 ? 14.42502  -1.93368  -3.60110  1.000 53.77713  ? 125 GLY A CA  1 
ATOM   851  C  C   . GLY A 1 118 ? 13.01038  -2.19241  -4.07251  1.000 50.17052  ? 125 GLY A C   1 
ATOM   852  O  O   . GLY A 1 118 ? 12.08184  -2.05042  -3.27118  1.000 53.70026  ? 125 GLY A O   1 
ATOM   853  N  N   . ALA A 1 119 ? 12.81156  -2.55751  -5.33512  1.000 46.40583  ? 126 ALA A N   1 
ATOM   854  C  CA  . ALA A 1 119 ? 11.48143  -2.92743  -5.78933  1.000 49.67895  ? 126 ALA A CA  1 
ATOM   855  C  C   . ALA A 1 119 ? 11.17585  -4.37297  -5.40253  1.000 57.53037  ? 126 ALA A C   1 
ATOM   856  O  O   . ALA A 1 119 ? 12.06821  -5.15031  -5.05211  1.000 50.90879  ? 126 ALA A O   1 
ATOM   857  C  CB  . ALA A 1 119 ? 11.35860  -2.74292  -7.30211  1.000 50.60662  ? 126 ALA A CB  1 
ATOM   858  N  N   . ASP A 1 120 ? 9.89540   -4.72946  -5.45647  1.000 53.71768  ? 127 ASP A N   1 
ATOM   859  C  CA  . ASP A 1 120 ? 9.48029   -6.08786  -5.14137  1.000 56.83531  ? 127 ASP A CA  1 
ATOM   860  C  C   . ASP A 1 120 ? 9.25444   -6.89073  -6.41546  1.000 47.87034  ? 127 ASP A C   1 
ATOM   861  O  O   . ASP A 1 120 ? 9.00227   -6.34453  -7.49186  1.000 49.75398  ? 127 ASP A O   1 
ATOM   862  C  CB  . ASP A 1 120 ? 8.20374   -6.10860  -4.29484  1.000 63.61553  ? 127 ASP A CB  1 
ATOM   863  C  CG  . ASP A 1 120 ? 7.94329   -7.47720  -3.67135  1.000 74.64364  ? 127 ASP A CG  1 
ATOM   864  O  OD1 . ASP A 1 120 ? 8.73515   -7.87926  -2.79274  1.000 85.04641  ? 127 ASP A OD1 1 
ATOM   865  O  OD2 . ASP A 1 120 ? 6.98366   -8.17042  -4.08015  1.000 48.82178  ? 127 ASP A OD2 1 
ATOM   866  N  N   . ILE A 1 121 ? 9.34586   -8.21293  -6.26645  1.000 44.33903  ? 128 ILE A N   1 
ATOM   867  C  CA  . ILE A 1 121 ? 9.09010   -9.12612  -7.37308  1.000 41.56926  ? 128 ILE A CA  1 
ATOM   868  C  C   . ILE A 1 121 ? 7.67642   -8.93566  -7.90986  1.000 44.81704  ? 128 ILE A C   1 
ATOM   869  O  O   . ILE A 1 121 ? 7.43517   -9.01637  -9.12157  1.000 42.15320  ? 128 ILE A O   1 
ATOM   870  C  CB  . ILE A 1 121 ? 9.33138   -10.57690 -6.91740  1.000 46.68359  ? 128 ILE A CB  1 
ATOM   871  C  CG1 . ILE A 1 121 ? 10.82998  -10.83998 -6.73705  1.000 47.18508  ? 128 ILE A CG1 1 
ATOM   872  C  CG2 . ILE A 1 121 ? 8.69717   -11.55505 -7.88854  1.000 33.98076  ? 128 ILE A CG2 1 
ATOM   873  C  CD1 . ILE A 1 121 ? 11.20466  -11.51326 -5.42264  1.000 60.37344  ? 128 ILE A CD1 1 
ATOM   874  N  N   . SER A 1 122 ? 6.72049   -8.66857  -7.01928  1.000 41.59947  ? 129 SER A N   1 
ATOM   875  C  CA  . SER A 1 122 ? 5.34092   -8.45595  -7.43679  1.000 39.33589  ? 129 SER A CA  1 
ATOM   876  C  C   . SER A 1 122 ? 5.18034   -7.24120  -8.34029  1.000 43.58625  ? 129 SER A C   1 
ATOM   877  O  O   . SER A 1 122 ? 4.10204   -7.05712  -8.91617  1.000 38.75079  ? 129 SER A O   1 
ATOM   878  C  CB  . SER A 1 122 ? 4.44920   -8.30719  -6.20671  1.000 40.46714  ? 129 SER A CB  1 
ATOM   879  O  OG  . SER A 1 122 ? 4.70775   -7.07592  -5.55812  1.000 45.20627  ? 129 SER A OG  1 
ATOM   880  N  N   . MET A 1 123 ? 6.21464   -6.41486  -8.47518  1.000 34.20065  ? 130 MET A N   1 
ATOM   881  C  CA  . MET A 1 123 ? 6.19192   -5.24632  -9.34073  1.000 38.70615  ? 130 MET A CA  1 
ATOM   882  C  C   . MET A 1 123 ? 6.56440   -5.57856  -10.78145 1.000 32.47652  ? 130 MET A C   1 
ATOM   883  O  O   . MET A 1 123 ? 6.70191   -4.66314  -11.59821 1.000 33.06275  ? 130 MET A O   1 
ATOM   884  C  CB  . MET A 1 123 ? 7.13316   -4.17861  -8.77736  1.000 41.57607  ? 130 MET A CB  1 
ATOM   885  C  CG  . MET A 1 123 ? 6.58536   -3.52220  -7.51507  1.000 45.66037  ? 130 MET A CG  1 
ATOM   886  S  SD  . MET A 1 123 ? 7.76508   -2.38921  -6.75193  1.000 56.33295  ? 130 MET A SD  1 
ATOM   887  C  CE  . MET A 1 123 ? 7.77542   -1.10766  -7.99401  1.000 52.69894  ? 130 MET A CE  1 
ATOM   888  N  N   . ILE A 1 124 ? 6.69471   -6.86940  -11.10902 1.000 28.12283  ? 131 ILE A N   1 
ATOM   889  C  CA  . ILE A 1 124 ? 7.12927   -7.30161  -12.43928 1.000 28.90774  ? 131 ILE A CA  1 
ATOM   890  C  C   . ILE A 1 124 ? 6.31920   -6.63369  -13.55031 1.000 26.87837  ? 131 ILE A C   1 
ATOM   891  O  O   . ILE A 1 124 ? 6.86743   -6.25887  -14.59305 1.000 24.65630  ? 131 ILE A O   1 
ATOM   892  C  CB  . ILE A 1 124 ? 7.07033   -8.84022  -12.53399 1.000 26.24993  ? 131 ILE A CB  1 
ATOM   893  C  CG1 . ILE A 1 124 ? 7.69506   -9.32519  -13.84555 1.000 26.09618  ? 131 ILE A CG1 1 
ATOM   894  C  CG2 . ILE A 1 124 ? 5.64269   -9.36373  -12.34098 1.000 26.85676  ? 131 ILE A CG2 1 
ATOM   895  C  CD1 . ILE A 1 124 ? 7.74145   -10.83981 -13.97036 1.000 28.65905  ? 131 ILE A CD1 1 
ATOM   896  N  N   . GLY A 1 125 ? 5.01455   -6.44740  -13.34222 1.000 29.52570  ? 132 GLY A N   1 
ATOM   897  C  CA  . GLY A 1 125 ? 4.17811   -5.90573  -14.40236 1.000 27.82807  ? 132 GLY A CA  1 
ATOM   898  C  C   . GLY A 1 125 ? 4.50056   -4.47463  -14.78952 1.000 30.78384  ? 132 GLY A C   1 
ATOM   899  O  O   . GLY A 1 125 ? 4.20217   -4.06666  -15.91718 1.000 35.13925  ? 132 GLY A O   1 
ATOM   900  N  N   . GLN A 1 126 ? 5.09587   -3.70381  -13.88079 1.000 31.55370  ? 133 GLN A N   1 
ATOM   901  C  CA  . GLN A 1 126 ? 5.47787   -2.32930  -14.17932 1.000 34.09311  ? 133 GLN A CA  1 
ATOM   902  C  C   . GLN A 1 126 ? 6.59287   -2.24350  -15.20907 1.000 44.64672  ? 133 GLN A C   1 
ATOM   903  O  O   . GLN A 1 126 ? 6.88490   -1.14751  -15.69880 1.000 38.84331  ? 133 GLN A O   1 
ATOM   904  C  CB  . GLN A 1 126 ? 5.91079   -1.63201  -12.89485 1.000 38.21749  ? 133 GLN A CB  1 
ATOM   905  C  CG  . GLN A 1 126 ? 4.81690   -1.58874  -11.84308 1.000 43.34408  ? 133 GLN A CG  1 
ATOM   906  C  CD  . GLN A 1 126 ? 5.28220   -0.96764  -10.54810 1.000 56.11839  ? 133 GLN A CD  1 
ATOM   907  O  OE1 . GLN A 1 126 ? 4.82896   -1.34980  -9.46965  1.000 64.19189  ? 133 GLN A OE1 1 
ATOM   908  N  NE2 . GLN A 1 126 ? 6.20026   -0.00908  -10.64394 1.000 54.12159  ? 133 GLN A NE2 1 
ATOM   909  N  N   . PHE A 1 127 ? 7.21319   -3.36969  -15.54568 1.000 31.09067  ? 134 PHE A N   1 
ATOM   910  C  CA  . PHE A 1 127 ? 8.35689   -3.41324  -16.44232 1.000 28.57459  ? 134 PHE A CA  1 
ATOM   911  C  C   . PHE A 1 127 ? 8.03237   -4.15083  -17.72835 1.000 29.43656  ? 134 PHE A C   1 
ATOM   912  O  O   . PHE A 1 127 ? 8.94124   -4.48252  -18.49825 1.000 30.46744  ? 134 PHE A O   1 
ATOM   913  C  CB  . PHE A 1 127 ? 9.52050   -4.05510  -15.69972 1.000 27.95784  ? 134 PHE A CB  1 
ATOM   914  C  CG  . PHE A 1 127 ? 9.85527   -3.32952  -14.44015 1.000 31.41470  ? 134 PHE A CG  1 
ATOM   915  C  CD1 . PHE A 1 127 ? 10.24179  -1.99753  -14.47382 1.000 48.03051  ? 134 PHE A CD1 1 
ATOM   916  C  CD2 . PHE A 1 127 ? 9.63539   -3.92401  -13.21354 1.000 29.89109  ? 134 PHE A CD2 1 
ATOM   917  C  CE1 . PHE A 1 127 ? 10.50296  -1.30691  -13.30319 1.000 36.78950  ? 134 PHE A CE1 1 
ATOM   918  C  CE2 . PHE A 1 127 ? 9.88922   -3.23957  -12.03837 1.000 43.27706  ? 134 PHE A CE2 1 
ATOM   919  C  CZ  . PHE A 1 127 ? 10.31825  -1.92939  -12.08660 1.000 48.63374  ? 134 PHE A CZ  1 
ATOM   920  N  N   . GLY A 1 128 ? 6.75509   -4.42224  -17.96935 1.000 28.05169  ? 135 GLY A N   1 
ATOM   921  C  CA  . GLY A 1 128 ? 6.32506   -4.96342  -19.23328 1.000 28.13394  ? 135 GLY A CA  1 
ATOM   922  C  C   . GLY A 1 128 ? 6.58525   -6.43432  -19.43534 1.000 26.32953  ? 135 GLY A C   1 
ATOM   923  O  O   . GLY A 1 128 ? 6.41634   -6.91699  -20.55863 1.000 30.03076  ? 135 GLY A O   1 
ATOM   924  N  N   . VAL A 1 129 ? 6.97858   -7.16862  -18.39275 1.000 22.68308  ? 136 VAL A N   1 
ATOM   925  C  CA  . VAL A 1 129 ? 7.29431   -8.58676  -18.54915 1.000 19.92923  ? 136 VAL A CA  1 
ATOM   926  C  C   . VAL A 1 129 ? 6.45639   -9.44234  -17.60066 1.000 23.49701  ? 136 VAL A C   1 
ATOM   927  O  O   . VAL A 1 129 ? 6.85311   -10.55527 -17.23260 1.000 22.60770  ? 136 VAL A O   1 
ATOM   928  C  CB  . VAL A 1 129 ? 8.80483   -8.83102  -18.35693 1.000 20.73463  ? 136 VAL A CB  1 
ATOM   929  C  CG1 . VAL A 1 129 ? 9.59016   -8.22799  -19.52974 1.000 24.44435  ? 136 VAL A CG1 1 
ATOM   930  C  CG2 . VAL A 1 129 ? 9.29566   -8.22636  -17.04180 1.000 23.88875  ? 136 VAL A CG2 1 
ATOM   931  N  N   . GLY A 1 130 ? 5.27446   -8.94581  -17.22469 1.000 21.83397  ? 137 GLY A N   1 
ATOM   932  C  CA  . GLY A 1 130 ? 4.40101   -9.69061  -16.32932 1.000 22.18000  ? 137 GLY A CA  1 
ATOM   933  C  C   . GLY A 1 130 ? 3.97153   -11.04304 -16.86188 1.000 21.58335  ? 137 GLY A C   1 
ATOM   934  O  O   . GLY A 1 130 ? 3.64210   -11.93529 -16.06693 1.000 22.41450  ? 137 GLY A O   1 
ATOM   935  N  N   . PHE A 1 131 ? 3.97419   -11.22066 -18.18965 1.000 20.25257  ? 138 PHE A N   1 
ATOM   936  C  CA  . PHE A 1 131 ? 3.59122   -12.50827 -18.76193 1.000 20.68060  ? 138 PHE A CA  1 
ATOM   937  C  C   . PHE A 1 131 ? 4.39801   -13.65016 -18.16319 1.000 19.92496  ? 138 PHE A C   1 
ATOM   938  O  O   . PHE A 1 131 ? 3.85387   -14.72053 -17.87037 1.000 20.59432  ? 138 PHE A O   1 
ATOM   939  C  CB  . PHE A 1 131 ? 3.77035   -12.51027 -20.27999 1.000 22.48704  ? 138 PHE A CB  1 
ATOM   940  C  CG  . PHE A 1 131 ? 3.71730   -13.88808 -20.87318 1.000 22.10247  ? 138 PHE A CG  1 
ATOM   941  C  CD1 . PHE A 1 131 ? 2.50525   -14.53337 -21.03701 1.000 22.27478  ? 138 PHE A CD1 1 
ATOM   942  C  CD2 . PHE A 1 131 ? 4.88359   -14.55916 -21.21992 1.000 22.59902  ? 138 PHE A CD2 1 
ATOM   943  C  CE1 . PHE A 1 131 ? 2.44851   -15.81900 -21.55884 1.000 19.65218  ? 138 PHE A CE1 1 
ATOM   944  C  CE2 . PHE A 1 131 ? 4.83452   -15.83862 -21.74446 1.000 22.90889  ? 138 PHE A CE2 1 
ATOM   945  C  CZ  . PHE A 1 131 ? 3.61508   -16.46941 -21.91296 1.000 24.09071  ? 138 PHE A CZ  1 
ATOM   946  N  N   . TYR A 1 132 ? 5.70133   -13.44393 -17.98395 1.000 21.70290  ? 139 TYR A N   1 
ATOM   947  C  CA  . TYR A 1 132 ? 6.56638   -14.53663 -17.56672 1.000 19.14529  ? 139 TYR A CA  1 
ATOM   948  C  C   . TYR A 1 132 ? 6.30822   -14.97492 -16.13066 1.000 22.88344  ? 139 TYR A C   1 
ATOM   949  O  O   . TYR A 1 132 ? 6.78426   -16.04565 -15.73720 1.000 21.47349  ? 139 TYR A O   1 
ATOM   950  C  CB  . TYR A 1 132 ? 8.03101   -14.13208 -17.78614 1.000 19.07477  ? 139 TYR A CB  1 
ATOM   951  C  CG  . TYR A 1 132 ? 8.29169   -13.84214 -19.24715 1.000 22.98292  ? 139 TYR A CG  1 
ATOM   952  C  CD1 . TYR A 1 132 ? 8.52793   -14.87206 -20.15156 1.000 24.78644  ? 139 TYR A CD1 1 
ATOM   953  C  CD2 . TYR A 1 132 ? 8.25123   -12.53923 -19.73202 1.000 23.60940  ? 139 TYR A CD2 1 
ATOM   954  C  CE1 . TYR A 1 132 ? 8.74680   -14.60618 -21.50380 1.000 20.91610  ? 139 TYR A CE1 1 
ATOM   955  C  CE2 . TYR A 1 132 ? 8.46644   -12.26598 -21.07162 1.000 24.48161  ? 139 TYR A CE2 1 
ATOM   956  C  CZ  . TYR A 1 132 ? 8.70994   -13.29845 -21.95027 1.000 24.27442  ? 139 TYR A CZ  1 
ATOM   957  O  OH  . TYR A 1 132 ? 8.91292   -13.00858 -23.27684 1.000 24.97911  ? 139 TYR A OH  1 
ATOM   958  N  N   . SER A 1 133 ? 5.53882   -14.20597 -15.35305 1.000 20.53434  ? 140 SER A N   1 
ATOM   959  C  CA  . SER A 1 133 ? 5.12152   -14.67958 -14.03723 1.000 21.42833  ? 140 SER A CA  1 
ATOM   960  C  C   . SER A 1 133 ? 4.24528   -15.91834 -14.12292 1.000 18.38157  ? 140 SER A C   1 
ATOM   961  O  O   . SER A 1 133 ? 4.03908   -16.58096 -13.09938 1.000 22.26600  ? 140 SER A O   1 
ATOM   962  C  CB  . SER A 1 133 ? 4.37808   -13.58148 -13.26753 1.000 22.86882  ? 140 SER A CB  1 
ATOM   963  O  OG  . SER A 1 133 ? 3.10495   -13.32636 -13.83089 1.000 22.62228  ? 140 SER A OG  1 
ATOM   964  N  N   . ALA A 1 134 ? 3.73232   -16.24755 -15.31415 1.000 20.09634  ? 141 ALA A N   1 
ATOM   965  C  CA  . ALA A 1 134 ? 3.01662   -17.50598 -15.49041 1.000 18.70795  ? 141 ALA A CA  1 
ATOM   966  C  C   . ALA A 1 134 ? 3.83889   -18.68852 -14.99843 1.000 20.01545  ? 141 ALA A C   1 
ATOM   967  O  O   . ALA A 1 134 ? 3.27927   -19.67101 -14.50127 1.000 20.84230  ? 141 ALA A O   1 
ATOM   968  C  CB  . ALA A 1 134 ? 2.64658   -17.69999 -16.96566 1.000 19.69611  ? 141 ALA A CB  1 
ATOM   969  N  N   . TYR A 1 135 ? 5.17061   -18.60513 -15.10517 1.000 20.20473  ? 142 TYR A N   1 
ATOM   970  C  CA  . TYR A 1 135 ? 6.02724   -19.72443 -14.73287 1.000 18.52283  ? 142 TYR A CA  1 
ATOM   971  C  C   . TYR A 1 135 ? 6.20482   -19.84416 -13.22311 1.000 21.19565  ? 142 TYR A C   1 
ATOM   972  O  O   . TYR A 1 135 ? 6.91755   -20.74203 -12.76195 1.000 25.18009  ? 142 TYR A O   1 
ATOM   973  C  CB  . TYR A 1 135 ? 7.36924   -19.59487 -15.46466 1.000 18.53847  ? 142 TYR A CB  1 
ATOM   974  C  CG  . TYR A 1 135 ? 7.17535   -19.90291 -16.93190 1.000 19.65282  ? 142 TYR A CG  1 
ATOM   975  C  CD1 . TYR A 1 135 ? 7.16588   -21.21412 -17.39919 1.000 21.01247  ? 142 TYR A CD1 1 
ATOM   976  C  CD2 . TYR A 1 135 ? 6.91216   -18.88261 -17.83581 1.000 19.30527  ? 142 TYR A CD2 1 
ATOM   977  C  CE1 . TYR A 1 135 ? 6.93962   -21.49616 -18.74778 1.000 21.66470  ? 142 TYR A CE1 1 
ATOM   978  C  CE2 . TYR A 1 135 ? 6.68545   -19.15125 -19.18219 1.000 23.05909  ? 142 TYR A CE2 1 
ATOM   979  C  CZ  . TYR A 1 135 ? 6.70002   -20.45464 -19.62636 1.000 21.67732  ? 142 TYR A CZ  1 
ATOM   980  O  OH  . TYR A 1 135 ? 6.48033   -20.71463 -20.95912 1.000 21.55544  ? 142 TYR A OH  1 
ATOM   981  N  N   . LEU A 1 136 ? 5.55557   -18.97223 -12.44896 1.000 22.08803  ? 143 LEU A N   1 
ATOM   982  C  CA  . LEU A 1 136 ? 5.43305   -19.19999 -11.01333 1.000 21.04183  ? 143 LEU A CA  1 
ATOM   983  C  C   . LEU A 1 136 ? 4.56483   -20.41591 -10.72217 1.000 25.73328  ? 143 LEU A C   1 
ATOM   984  O  O   . LEU A 1 136 ? 4.77524   -21.10639 -9.71983  1.000 25.93108  ? 143 LEU A O   1 
ATOM   985  C  CB  . LEU A 1 136 ? 4.83440   -17.96762 -10.33302 1.000 22.93975  ? 143 LEU A CB  1 
ATOM   986  C  CG  . LEU A 1 136 ? 5.70902   -16.71206 -10.28453 1.000 23.76477  ? 143 LEU A CG  1 
ATOM   987  C  CD1 . LEU A 1 136 ? 4.90471   -15.51341 -9.82601  1.000 23.58445  ? 143 LEU A CD1 1 
ATOM   988  C  CD2 . LEU A 1 136 ? 6.93630   -16.92886 -9.39623  1.000 25.11234  ? 143 LEU A CD2 1 
ATOM   989  N  N   . VAL A 1 137 ? 3.58674   -20.69202 -11.58248 1.000 24.84261  ? 144 VAL A N   1 
ATOM   990  C  CA  . VAL A 1 137 ? 2.62960   -21.75891 -11.32974 1.000 23.07647  ? 144 VAL A CA  1 
ATOM   991  C  C   . VAL A 1 137 ? 2.57518   -22.79743 -12.44394 1.000 23.12875  ? 144 VAL A C   1 
ATOM   992  O  O   . VAL A 1 137 ? 2.07347   -23.90855 -12.20510 1.000 25.93017  ? 144 VAL A O   1 
ATOM   993  C  CB  . VAL A 1 137 ? 1.21722   -21.18914 -11.06842 1.000 23.32522  ? 144 VAL A CB  1 
ATOM   994  C  CG1 . VAL A 1 137 ? 1.20988   -20.30800 -9.82034  1.000 26.76106  ? 144 VAL A CG1 1 
ATOM   995  C  CG2 . VAL A 1 137 ? 0.72343   -20.40423 -12.28259 1.000 23.44634  ? 144 VAL A CG2 1 
ATOM   996  N  N   . ALA A 1 138 ? 3.08709   -22.50672 -13.63488 1.000 23.12400  ? 145 ALA A N   1 
ATOM   997  C  CA  . ALA A 1 138 ? 2.94986   -23.39433 -14.78070 1.000 25.28177  ? 145 ALA A CA  1 
ATOM   998  C  C   . ALA A 1 138 ? 4.28303   -24.03756 -15.12768 1.000 26.23159  ? 145 ALA A C   1 
ATOM   999  O  O   . ALA A 1 138 ? 5.31794   -23.36619 -15.16343 1.000 27.27673  ? 145 ALA A O   1 
ATOM   1000 C  CB  . ALA A 1 138 ? 2.41630   -22.63861 -15.99856 1.000 21.60987  ? 145 ALA A CB  1 
ATOM   1001 N  N   . GLU A 1 139 ? 4.24900   -25.34311 -15.38587 1.000 22.00030  ? 146 GLU A N   1 
ATOM   1002 C  CA  . GLU A 1 139 ? 5.41891   -26.01794 -15.93560 1.000 22.35693  ? 146 GLU A CA  1 
ATOM   1003 C  C   . GLU A 1 139 ? 5.51548   -25.83890 -17.44165 1.000 26.11653  ? 146 GLU A C   1 
ATOM   1004 O  O   . GLU A 1 139 ? 6.60480   -25.96955 -18.01176 1.000 26.50403  ? 146 GLU A O   1 
ATOM   1005 C  CB  . GLU A 1 139 ? 5.38185   -27.50469 -15.57748 1.000 29.23728  ? 146 GLU A CB  1 
ATOM   1006 C  CG  . GLU A 1 139 ? 4.11313   -28.21628 -16.00563 1.000 37.44586  ? 146 GLU A CG  1 
ATOM   1007 C  CD  . GLU A 1 139 ? 4.15241   -29.70993 -15.72735 1.000 65.21227  ? 146 GLU A CD  1 
ATOM   1008 O  OE1 . GLU A 1 139 ? 3.44562   -30.46686 -16.42951 1.000 59.29157  ? 146 GLU A OE1 1 
ATOM   1009 O  OE2 . GLU A 1 139 ? 4.87861   -30.12416 -14.79817 1.000 58.57850  ? 146 GLU A OE2 1 
ATOM   1010 N  N   . LYS A 1 140 ? 4.40036   -25.53080 -18.08943 1.000 22.66580  ? 147 LYS A N   1 
ATOM   1011 C  CA  . LYS A 1 140 ? 4.36048   -25.30300 -19.52241 1.000 21.71620  ? 147 LYS A CA  1 
ATOM   1012 C  C   . LYS A 1 140 ? 3.27432   -24.27387 -19.77560 1.000 21.41353  ? 147 LYS A C   1 
ATOM   1013 O  O   . LYS A 1 140 ? 2.25309   -24.26501 -19.08210 1.000 22.30223  ? 147 LYS A O   1 
ATOM   1014 C  CB  . LYS A 1 140 ? 4.08134   -26.60286 -20.28114 1.000 22.29123  ? 147 LYS A CB  1 
ATOM   1015 C  CG  . LYS A 1 140 ? 4.03438   -26.45213 -21.78751 1.000 23.58029  ? 147 LYS A CG  1 
ATOM   1016 C  CD  . LYS A 1 140 ? 3.94657   -27.81689 -22.45052 1.000 31.76074  ? 147 LYS A CD  1 
ATOM   1017 C  CE  . LYS A 1 140 ? 2.51085   -28.20606 -22.74846 1.000 36.98513  ? 147 LYS A CE  1 
ATOM   1018 N  NZ  . LYS A 1 140 ? 2.38216   -29.65721 -23.06683 1.000 42.93502  ? 147 LYS A NZ  1 
ATOM   1019 N  N   . VAL A 1 141 ? 3.51118   -23.38707 -20.73738 1.000 18.97503  ? 148 VAL A N   1 
ATOM   1020 C  CA  . VAL A 1 141 ? 2.52900   -22.37867 -21.11398 1.000 17.09830  ? 148 VAL A CA  1 
ATOM   1021 C  C   . VAL A 1 141 ? 2.33683   -22.45582 -22.61841 1.000 22.36013  ? 148 VAL A C   1 
ATOM   1022 O  O   . VAL A 1 141 ? 3.31735   -22.46029 -23.37239 1.000 21.31596  ? 148 VAL A O   1 
ATOM   1023 C  CB  . VAL A 1 141 ? 2.96455   -20.96160 -20.70480 1.000 18.88906  ? 148 VAL A CB  1 
ATOM   1024 C  CG1 . VAL A 1 141 ? 1.95490   -19.93519 -21.20902 1.000 22.65326  ? 148 VAL A CG1 1 
ATOM   1025 C  CG2 . VAL A 1 141 ? 3.14511   -20.85830 -19.18866 1.000 21.15097  ? 148 VAL A CG2 1 
ATOM   1026 N  N   . THR A 1 142 ? 1.07910   -22.52803 -23.04579 1.000 20.46526  ? 149 THR A N   1 
ATOM   1027 C  CA  . THR A 1 142 ? 0.70346   -22.49432 -24.45358 1.000 22.07915  ? 149 THR A CA  1 
ATOM   1028 C  C   . THR A 1 142 ? -0.08320  -21.21303 -24.69832 1.000 24.20654  ? 149 THR A C   1 
ATOM   1029 O  O   . THR A 1 142 ? -0.99290  -20.88499 -23.92915 1.000 24.52713  ? 149 THR A O   1 
ATOM   1030 C  CB  . THR A 1 142 ? -0.14726  -23.71123 -24.83211 1.000 22.92037  ? 149 THR A CB  1 
ATOM   1031 O  OG1 . THR A 1 142 ? 0.50366   -24.91887 -24.41783 1.000 26.29611  ? 149 THR A OG1 1 
ATOM   1032 C  CG2 . THR A 1 142 ? -0.37564  -23.75792 -26.33932 1.000 24.26649  ? 149 THR A CG2 1 
ATOM   1033 N  N   . VAL A 1 143 ? 0.27187   -20.48181 -25.75052 1.000 19.83898  ? 150 VAL A N   1 
ATOM   1034 C  CA  . VAL A 1 143 ? -0.41273  -19.24208 -26.10217 1.000 19.87947  ? 150 VAL A CA  1 
ATOM   1035 C  C   . VAL A 1 143 ? -0.97848  -19.40624 -27.50596 1.000 24.73360  ? 150 VAL A C   1 
ATOM   1036 O  O   . VAL A 1 143 ? -0.22173  -19.57907 -28.46705 1.000 23.52448  ? 150 VAL A O   1 
ATOM   1037 C  CB  . VAL A 1 143 ? 0.52696   -18.02901 -26.01796 1.000 21.80914  ? 150 VAL A CB  1 
ATOM   1038 C  CG1 . VAL A 1 143 ? -0.18234  -16.76441 -26.49693 1.000 24.52588  ? 150 VAL A CG1 1 
ATOM   1039 C  CG2 . VAL A 1 143 ? 1.04348   -17.85798 -24.59522 1.000 22.03008  ? 150 VAL A CG2 1 
ATOM   1040 N  N   . ILE A 1 144 ? -2.30375  -19.37732 -27.61790 1.000 19.54144  ? 151 ILE A N   1 
ATOM   1041 C  CA  . ILE A 1 144 ? -2.99777  -19.41360 -28.90465 1.000 20.67631  ? 151 ILE A CA  1 
ATOM   1042 C  C   . ILE A 1 144 ? -3.45177  -17.99348 -29.19669 1.000 23.61515  ? 151 ILE A C   1 
ATOM   1043 O  O   . ILE A 1 144 ? -4.05187  -17.34970 -28.33011 1.000 22.56064  ? 151 ILE A O   1 
ATOM   1044 C  CB  . ILE A 1 144 ? -4.21454  -20.35714 -28.87143 1.000 22.95664  ? 151 ILE A CB  1 
ATOM   1045 C  CG1 . ILE A 1 144 ? -3.88176  -21.69762 -28.21496 1.000 32.73331  ? 151 ILE A CG1 1 
ATOM   1046 C  CG2 . ILE A 1 144 ? -4.73432  -20.58214 -30.28640 1.000 26.80215  ? 151 ILE A CG2 1 
ATOM   1047 C  CD1 . ILE A 1 144 ? -2.83858  -22.47082 -28.92287 1.000 31.36560  ? 151 ILE A CD1 1 
ATOM   1048 N  N   . THR A 1 145 ? -3.18078  -17.49645 -30.40349 1.000 21.55619  ? 152 THR A N   1 
ATOM   1049 C  CA  . THR A 1 145 ? -3.51692  -16.10404 -30.66862 1.000 24.29186  ? 152 THR A CA  1 
ATOM   1050 C  C   . THR A 1 145 ? -3.95844  -15.91990 -32.11522 1.000 25.37731  ? 152 THR A C   1 
ATOM   1051 O  O   . THR A 1 145 ? -3.52017  -16.64152 -33.01453 1.000 24.20154  ? 152 THR A O   1 
ATOM   1052 C  CB  . THR A 1 145 ? -2.33042  -15.18860 -30.32531 1.000 24.61748  ? 152 THR A CB  1 
ATOM   1053 O  OG1 . THR A 1 145 ? -2.77759  -13.82968 -30.25519 1.000 23.87846  ? 152 THR A OG1 1 
ATOM   1054 C  CG2 . THR A 1 145 ? -1.20695  -15.32112 -31.36899 1.000 23.70098  ? 152 THR A CG2 1 
ATOM   1055 N  N   . LYS A 1 146 ? -4.84794  -14.94759 -32.32264 1.000 20.51167  ? 153 LYS A N   1 
ATOM   1056 C  CA  . LYS A 1 146 ? -5.31656  -14.58124 -33.65666 1.000 23.45124  ? 153 LYS A CA  1 
ATOM   1057 C  C   . LYS A 1 146 ? -5.41461  -13.06543 -33.71121 1.000 25.30575  ? 153 LYS A C   1 
ATOM   1058 O  O   . LYS A 1 146 ? -6.17321  -12.46898 -32.94190 1.000 23.29840  ? 153 LYS A O   1 
ATOM   1059 C  CB  . LYS A 1 146 ? -6.67599  -15.21933 -33.97129 1.000 22.94830  ? 153 LYS A CB  1 
ATOM   1060 C  CG  . LYS A 1 146 ? -7.30618  -14.78375 -35.30016 1.000 26.72131  ? 153 LYS A CG  1 
ATOM   1061 C  CD  . LYS A 1 146 ? -6.49353  -15.26702 -36.49738 1.000 30.63463  ? 153 LYS A CD  1 
ATOM   1062 C  CE  . LYS A 1 146 ? -7.19065  -14.93772 -37.81718 1.000 31.08719  ? 153 LYS A CE  1 
ATOM   1063 N  NZ  . LYS A 1 146 ? -7.19620  -13.48479 -38.15591 1.000 28.58598  ? 153 LYS A NZ  1 
ATOM   1064 N  N   . HIS A 1 147 ? -4.64966  -12.45774 -34.61320 1.000 26.31599  ? 154 HIS A N   1 
ATOM   1065 C  CA  . HIS A 1 147 ? -4.65160  -11.02434 -34.87105 1.000 24.35056  ? 154 HIS A CA  1 
ATOM   1066 C  C   . HIS A 1 147 ? -5.33529  -10.79610 -36.21369 1.000 26.81723  ? 154 HIS A C   1 
ATOM   1067 O  O   . HIS A 1 147 ? -5.23942  -11.64225 -37.10531 1.000 26.42518  ? 154 HIS A O   1 
ATOM   1068 C  CB  . HIS A 1 147 ? -3.20187  -10.50434 -34.87209 1.000 22.62026  ? 154 HIS A CB  1 
ATOM   1069 C  CG  . HIS A 1 147 ? -3.06603  -9.01727  -35.00242 1.000 29.47033  ? 154 HIS A CG  1 
ATOM   1070 N  ND1 . HIS A 1 147 ? -3.27546  -8.34745  -36.18636 1.000 28.57455  ? 154 HIS A ND1 1 
ATOM   1071 C  CD2 . HIS A 1 147 ? -2.71539  -8.07573  -34.09284 1.000 23.78536  ? 154 HIS A CD2 1 
ATOM   1072 C  CE1 . HIS A 1 147 ? -3.07010  -7.05439  -36.00303 1.000 31.38381  ? 154 HIS A CE1 1 
ATOM   1073 N  NE2 . HIS A 1 147 ? -2.72929  -6.86310  -34.74188 1.000 25.48213  ? 154 HIS A NE2 1 
ATOM   1074 N  N   . ASN A 1 148 ? -6.06040  -9.67713  -36.35461 1.000 25.00426  ? 155 ASN A N   1 
ATOM   1075 C  CA  . ASN A 1 148 ? -6.76120  -9.41145  -37.61378 1.000 27.17020  ? 155 ASN A CA  1 
ATOM   1076 C  C   . ASN A 1 148 ? -5.84669  -9.51198  -38.83314 1.000 28.38686  ? 155 ASN A C   1 
ATOM   1077 O  O   . ASN A 1 148 ? -6.30715  -9.86809  -39.92526 1.000 32.29729  ? 155 ASN A O   1 
ATOM   1078 C  CB  . ASN A 1 148 ? -7.42407  -8.02577  -37.58567 1.000 27.76403  ? 155 ASN A CB  1 
ATOM   1079 C  CG  . ASN A 1 148 ? -8.71601  -8.00141  -36.79689 1.000 34.60559  ? 155 ASN A CG  1 
ATOM   1080 O  OD1 . ASN A 1 148 ? -9.40932  -9.01420  -36.67815 1.000 35.04351  ? 155 ASN A OD1 1 
ATOM   1081 N  ND2 . ASN A 1 148 ? -9.05670  -6.82966  -36.25902 1.000 30.26439  ? 155 ASN A ND2 1 
ATOM   1082 N  N   . ASP A 1 149 ? -4.55859  -9.20827  -38.67949 1.000 30.41035  ? 156 ASP A N   1 
ATOM   1083 C  CA  . ASP A 1 149 ? -3.64599  -9.11964  -39.81487 1.000 32.17513  ? 156 ASP A CA  1 
ATOM   1084 C  C   . ASP A 1 149 ? -2.85259  -10.40036 -40.06466 1.000 37.17793  ? 156 ASP A C   1 
ATOM   1085 O  O   . ASP A 1 149 ? -1.94432  -10.39094 -40.90225 1.000 38.51968  ? 156 ASP A O   1 
ATOM   1086 C  CB  . ASP A 1 149 ? -2.66862  -7.95658  -39.61777 1.000 36.28057  ? 156 ASP A CB  1 
ATOM   1087 C  CG  . ASP A 1 149 ? -3.35113  -6.60676  -39.62557 1.000 40.48269  ? 156 ASP A CG  1 
ATOM   1088 O  OD1 . ASP A 1 149 ? -4.48413  -6.51719  -40.13170 1.000 35.98549  ? 156 ASP A OD1 1 
ATOM   1089 O  OD2 . ASP A 1 149 ? -2.75553  -5.63887  -39.10924 1.000 45.81634  ? 156 ASP A OD2 1 
ATOM   1090 N  N   . ASP A 1 150 ? -3.15548  -11.49503 -39.36889 1.000 32.75584  ? 157 ASP A N   1 
ATOM   1091 C  CA  . ASP A 1 150 ? -2.36235  -12.71204 -39.51716 1.000 28.75075  ? 157 ASP A CA  1 
ATOM   1092 C  C   . ASP A 1 150 ? -3.24644  -13.93125 -39.26463 1.000 39.81467  ? 157 ASP A C   1 
ATOM   1093 O  O   . ASP A 1 150 ? -4.43564  -13.81004 -38.96150 1.000 31.57888  ? 157 ASP A O   1 
ATOM   1094 C  CB  . ASP A 1 150 ? -1.15094  -12.68070 -38.57662 1.000 29.59413  ? 157 ASP A CB  1 
ATOM   1095 C  CG  . ASP A 1 150 ? 0.01955   -13.50079 -39.09100 1.000 33.74034  ? 157 ASP A CG  1 
ATOM   1096 O  OD1 . ASP A 1 150 ? -0.14180  -14.25370 -40.08080 1.000 34.50945  ? 157 ASP A OD1 1 
ATOM   1097 O  OD2 . ASP A 1 150 ? 1.11625   -13.36335 -38.51453 1.000 33.36579  ? 157 ASP A OD2 1 
ATOM   1098 N  N   . GLU A 1 151 ? -2.65297  -15.11759 -39.40160 1.000 31.01972  ? 158 GLU A N   1 
ATOM   1099 C  CA  . GLU A 1 151 ? -3.33601  -16.37752 -39.14440 1.000 31.06825  ? 158 GLU A CA  1 
ATOM   1100 C  C   . GLU A 1 151 ? -3.24664  -16.74027 -37.66307 1.000 25.21490  ? 158 GLU A C   1 
ATOM   1101 O  O   . GLU A 1 151 ? -2.56403  -16.08321 -36.87710 1.000 29.40228  ? 158 GLU A O   1 
ATOM   1102 C  CB  . GLU A 1 151 ? -2.73798  -17.49790 -39.99744 1.000 32.27807  ? 158 GLU A CB  1 
ATOM   1103 C  CG  . GLU A 1 151 ? -2.60366  -17.15924 -41.47337 1.000 46.10437  ? 158 GLU A CG  1 
ATOM   1104 C  CD  . GLU A 1 151 ? -3.92005  -16.73218 -42.09563 1.000 76.34117  ? 158 GLU A CD  1 
ATOM   1105 O  OE1 . GLU A 1 151 ? -4.92451  -17.44807 -41.90345 1.000 88.78653  ? 158 GLU A OE1 1 
ATOM   1106 O  OE2 . GLU A 1 151 ? -3.95169  -15.68731 -42.78100 1.000 81.69692  ? 158 GLU A OE2 1 
ATOM   1107 N  N   . GLN A 1 152 ? -3.93639  -17.81723 -37.29042 1.000 28.81015  ? 159 GLN A N   1 
ATOM   1108 C  CA  . GLN A 1 152 ? -3.92876  -18.28771 -35.90934 1.000 24.82347  ? 159 GLN A CA  1 
ATOM   1109 C  C   . GLN A 1 152 ? -2.67582  -19.11272 -35.63874 1.000 26.49636  ? 159 GLN A C   1 
ATOM   1110 O  O   . GLN A 1 152 ? -2.37463  -20.05570 -36.37904 1.000 28.86115  ? 159 GLN A O   1 
ATOM   1111 C  CB  . GLN A 1 152 ? -5.17499  -19.12222 -35.61844 1.000 27.45618  ? 159 GLN A CB  1 
ATOM   1112 C  CG  . GLN A 1 152 ? -5.39259  -19.42247 -34.13679 1.000 27.38850  ? 159 GLN A CG  1 
ATOM   1113 C  CD  . GLN A 1 152 ? -6.82637  -19.80786 -33.84506 1.000 33.38446  ? 159 GLN A CD  1 
ATOM   1114 O  OE1 . GLN A 1 152 ? -7.75052  -19.06218 -34.16105 1.000 34.48743  ? 159 GLN A OE1 1 
ATOM   1115 N  NE2 . GLN A 1 152 ? -7.02166  -20.97693 -33.24765 1.000 33.79281  ? 159 GLN A NE2 1 
ATOM   1116 N  N   . TYR A 1 153 ? -1.95797  -18.76345 -34.56881 1.000 25.27844  ? 160 TYR A N   1 
ATOM   1117 C  CA  . TYR A 1 153 ? -0.69512  -19.39792 -34.21751 1.000 25.73164  ? 160 TYR A CA  1 
ATOM   1118 C  C   . TYR A 1 153 ? -0.71244  -19.89004 -32.77640 1.000 26.39371  ? 160 TYR A C   1 
ATOM   1119 O  O   . TYR A 1 153 ? -1.43576  -19.36167 -31.92767 1.000 23.10710  ? 160 TYR A O   1 
ATOM   1120 C  CB  . TYR A 1 153 ? 0.47150   -18.43551 -34.39942 1.000 22.06246  ? 160 TYR A CB  1 
ATOM   1121 C  CG  . TYR A 1 153 ? 0.87976   -18.27025 -35.83682 1.000 27.64900  ? 160 TYR A CG  1 
ATOM   1122 C  CD1 . TYR A 1 153 ? 1.72043   -19.19117 -36.43800 1.000 27.78202  ? 160 TYR A CD1 1 
ATOM   1123 C  CD2 . TYR A 1 153 ? 0.40208   -17.21478 -36.60423 1.000 31.10259  ? 160 TYR A CD2 1 
ATOM   1124 C  CE1 . TYR A 1 153 ? 2.09843   -19.05565 -37.75299 1.000 33.65996  ? 160 TYR A CE1 1 
ATOM   1125 C  CE2 . TYR A 1 153 ? 0.77136   -17.07368 -37.92360 1.000 37.58249  ? 160 TYR A CE2 1 
ATOM   1126 C  CZ  . TYR A 1 153 ? 1.61993   -17.99923 -38.49261 1.000 42.25170  ? 160 TYR A CZ  1 
ATOM   1127 O  OH  . TYR A 1 153 ? 2.00285   -17.87772 -39.80918 1.000 48.81568  ? 160 TYR A OH  1 
ATOM   1128 N  N   . ALA A 1 154 ? 0.11963   -20.89691 -32.50649 1.000 23.82564  ? 161 ALA A N   1 
ATOM   1129 C  CA  . ALA A 1 154 ? 0.32795   -21.42235 -31.16140 1.000 21.83150  ? 161 ALA A CA  1 
ATOM   1130 C  C   . ALA A 1 154 ? 1.79367   -21.26708 -30.78645 1.000 24.90485  ? 161 ALA A C   1 
ATOM   1131 O  O   . ALA A 1 154 ? 2.67126   -21.79558 -31.47807 1.000 23.64627  ? 161 ALA A O   1 
ATOM   1132 C  CB  . ALA A 1 154 ? -0.08009  -22.89418 -31.07426 1.000 25.99215  ? 161 ALA A CB  1 
ATOM   1133 N  N   . TRP A 1 155 ? 2.04859   -20.54191 -29.70293 1.000 19.61756  ? 162 TRP A N   1 
ATOM   1134 C  CA  . TRP A 1 155 ? 3.35828   -20.43252 -29.07562 1.000 20.18742  ? 162 TRP A CA  1 
ATOM   1135 C  C   . TRP A 1 155 ? 3.37966   -21.36317 -27.86857 1.000 23.12086  ? 162 TRP A C   1 
ATOM   1136 O  O   . TRP A 1 155 ? 2.35657   -21.56266 -27.21035 1.000 22.23412  ? 162 TRP A O   1 
ATOM   1137 C  CB  . TRP A 1 155 ? 3.59133   -18.97385 -28.66373 1.000 21.44540  ? 162 TRP A CB  1 
ATOM   1138 C  CG  . TRP A 1 155 ? 4.82578   -18.60680 -27.88481 1.000 23.18992  ? 162 TRP A CG  1 
ATOM   1139 C  CD1 . TRP A 1 155 ? 5.91072   -17.92590 -28.36202 1.000 20.83939  ? 162 TRP A CD1 1 
ATOM   1140 C  CD2 . TRP A 1 155 ? 5.05891   -18.80060 -26.48258 1.000 19.45541  ? 162 TRP A CD2 1 
ATOM   1141 N  NE1 . TRP A 1 155 ? 6.81929   -17.71778 -27.35330 1.000 20.28520  ? 162 TRP A NE1 1 
ATOM   1142 C  CE2 . TRP A 1 155 ? 6.32094   -18.24339 -26.18889 1.000 21.71644  ? 162 TRP A CE2 1 
ATOM   1143 C  CE3 . TRP A 1 155 ? 4.33260   -19.40923 -25.44958 1.000 20.60418  ? 162 TRP A CE3 1 
ATOM   1144 C  CZ2 . TRP A 1 155 ? 6.87319   -18.27941 -24.91057 1.000 20.81322  ? 162 TRP A CZ2 1 
ATOM   1145 C  CZ3 . TRP A 1 155 ? 4.88287   -19.43866 -24.17894 1.000 22.29826  ? 162 TRP A CZ3 1 
ATOM   1146 C  CH2 . TRP A 1 155 ? 6.13982   -18.87773 -23.92106 1.000 19.95281  ? 162 TRP A CH2 1 
ATOM   1147 N  N   . GLU A 1 156 ? 4.53787   -21.95294 -27.57964 1.000 21.04388  ? 163 GLU A N   1 
ATOM   1148 C  CA  . GLU A 1 156 ? 4.58711   -22.85088 -26.43394 1.000 18.91947  ? 163 GLU A CA  1 
ATOM   1149 C  C   . GLU A 1 156 ? 5.99467   -22.89177 -25.85774 1.000 20.89912  ? 163 GLU A C   1 
ATOM   1150 O  O   . GLU A 1 156 ? 6.97892   -22.85317 -26.60018 1.000 22.23187  ? 163 GLU A O   1 
ATOM   1151 C  CB  . GLU A 1 156 ? 4.12442   -24.25770 -26.83305 1.000 26.71086  ? 163 GLU A CB  1 
ATOM   1152 C  CG  . GLU A 1 156 ? 4.01119   -25.25851 -25.69782 1.000 31.03199  ? 163 GLU A CG  1 
ATOM   1153 C  CD  . GLU A 1 156 ? 3.25573   -26.50586 -26.12269 1.000 52.63912  ? 163 GLU A CD  1 
ATOM   1154 O  OE1 . GLU A 1 156 ? 3.88314   -27.38606 -26.75158 1.000 42.00045  ? 163 GLU A OE1 1 
ATOM   1155 O  OE2 . GLU A 1 156 ? 2.04259   -26.61085 -25.82930 1.000 35.80534  ? 163 GLU A OE2 1 
ATOM   1156 N  N   . SER A 1 157 ? 6.08937   -22.96732 -24.53148 1.000 19.77224  ? 164 SER A N   1 
ATOM   1157 C  CA  . SER A 1 157 ? 7.40086   -23.13289 -23.91824 1.000 20.06764  ? 164 SER A CA  1 
ATOM   1158 C  C   . SER A 1 157 ? 7.27482   -23.78947 -22.55222 1.000 19.10220  ? 164 SER A C   1 
ATOM   1159 O  O   . SER A 1 157 ? 6.38490   -23.45343 -21.76313 1.000 20.28036  ? 164 SER A O   1 
ATOM   1160 C  CB  . SER A 1 157 ? 8.14096   -21.79822 -23.77074 1.000 19.69768  ? 164 SER A CB  1 
ATOM   1161 O  OG  . SER A 1 157 ? 9.41532   -22.01180 -23.14696 1.000 22.41664  ? 164 SER A OG  1 
ATOM   1162 N  N   . SER A 1 158 ? 8.19045   -24.71946 -22.28052 1.000 20.26066  ? 165 SER A N   1 
ATOM   1163 C  CA  . SER A 1 158 ? 8.40312   -25.25380 -20.94097 1.000 21.54802  ? 165 SER A CA  1 
ATOM   1164 C  C   . SER A 1 158 ? 9.65575   -24.66901 -20.30605 1.000 23.48034  ? 165 SER A C   1 
ATOM   1165 O  O   . SER A 1 158 ? 10.27898  -25.31126 -19.45023 1.000 26.83606  ? 165 SER A O   1 
ATOM   1166 C  CB  . SER A 1 158 ? 8.49164   -26.77866 -20.98171 1.000 25.92305  ? 165 SER A CB  1 
ATOM   1167 O  OG  . SER A 1 158 ? 7.26442   -27.34280 -21.40765 1.000 28.63071  ? 165 SER A OG  1 
ATOM   1168 N  N   . ALA A 1 159 ? 10.02888  -23.46177 -20.71896 1.000 22.57793  ? 166 ALA A N   1 
ATOM   1169 C  CA  . ALA A 1 159 ? 11.27048  -22.79399 -20.31354 1.000 24.76485  ? 166 ALA A CA  1 
ATOM   1170 C  C   . ALA A 1 159 ? 12.43178  -23.66241 -20.80546 1.000 27.00695  ? 166 ALA A C   1 
ATOM   1171 O  O   . ALA A 1 159 ? 12.35152  -24.27008 -21.88086 1.000 30.74877  ? 166 ALA A O   1 
ATOM   1172 C  CB  . ALA A 1 159 ? 11.25429  -22.50928 -18.82295 1.000 26.87249  ? 166 ALA A CB  1 
ATOM   1173 N  N   . GLY A 1 160 ? 13.52481  -23.74171 -20.05037 1.000 31.24099  ? 167 GLY A N   1 
ATOM   1174 C  CA  . GLY A 1 160 ? 14.66502  -24.47608 -20.56219 1.000 31.33037  ? 167 GLY A CA  1 
ATOM   1175 C  C   . GLY A 1 160 ? 15.34505  -23.84170 -21.75458 1.000 28.58172  ? 167 GLY A C   1 
ATOM   1176 O  O   . GLY A 1 160 ? 16.16141  -24.49637 -22.40959 1.000 30.52014  ? 167 GLY A O   1 
ATOM   1177 N  N   . GLY A 1 161 ? 15.03048  -22.58924 -22.06589 1.000 24.11886  ? 168 GLY A N   1 
ATOM   1178 C  CA  . GLY A 1 161 ? 15.78069  -21.83964 -23.04987 1.000 24.20182  ? 168 GLY A CA  1 
ATOM   1179 C  C   . GLY A 1 161 ? 15.17432  -21.74789 -24.43404 1.000 25.12662  ? 168 GLY A C   1 
ATOM   1180 O  O   . GLY A 1 161 ? 15.76178  -21.08330 -25.29522 1.000 24.90244  ? 168 GLY A O   1 
ATOM   1181 N  N   . SER A 1 162 ? 14.03467  -22.38728 -24.69033 1.000 23.93901  ? 169 SER A N   1 
ATOM   1182 C  CA  . SER A 1 162 ? 13.50726  -22.41830 -26.04855 1.000 20.93858  ? 169 SER A CA  1 
ATOM   1183 C  C   . SER A 1 162 ? 11.99000  -22.32725 -26.01392 1.000 20.51146  ? 169 SER A C   1 
ATOM   1184 O  O   . SER A 1 162 ? 11.34597  -22.64579 -25.00898 1.000 22.41622  ? 169 SER A O   1 
ATOM   1185 C  CB  . SER A 1 162 ? 13.91053  -23.68624 -26.81156 1.000 28.00927  ? 169 SER A CB  1 
ATOM   1186 O  OG  . SER A 1 162 ? 13.33288  -24.84051 -26.22857 1.000 26.08721  ? 169 SER A OG  1 
ATOM   1187 N  N   . PHE A 1 163 ? 11.42965  -21.89450 -27.14151 1.000 22.82105  ? 170 PHE A N   1 
ATOM   1188 C  CA  . PHE A 1 163 ? 9.98855   -21.89871 -27.35312 1.000 20.80659  ? 170 PHE A CA  1 
ATOM   1189 C  C   . PHE A 1 163 ? 9.70563   -22.34945 -28.77860 1.000 22.67041  ? 170 PHE A C   1 
ATOM   1190 O  O   . PHE A 1 163 ? 10.58900  -22.34606 -29.64060 1.000 24.16638  ? 170 PHE A O   1 
ATOM   1191 C  CB  . PHE A 1 163 ? 9.35286   -20.52007 -27.08327 1.000 21.73033  ? 170 PHE A CB  1 
ATOM   1192 C  CG  . PHE A 1 163 ? 9.85223   -19.41366 -27.98470 1.000 19.92395  ? 170 PHE A CG  1 
ATOM   1193 C  CD1 . PHE A 1 163 ? 10.97569  -18.68049 -27.64640 1.000 23.64439  ? 170 PHE A CD1 1 
ATOM   1194 C  CD2 . PHE A 1 163 ? 9.18279   -19.09391 -29.15485 1.000 21.49771  ? 170 PHE A CD2 1 
ATOM   1195 C  CE1 . PHE A 1 163 ? 11.42218  -17.65158 -28.45963 1.000 25.30927  ? 170 PHE A CE1 1 
ATOM   1196 C  CE2 . PHE A 1 163 ? 9.62399   -18.07873 -29.97253 1.000 21.76609  ? 170 PHE A CE2 1 
ATOM   1197 C  CZ  . PHE A 1 163 ? 10.74358  -17.34696 -29.62236 1.000 26.43897  ? 170 PHE A CZ  1 
ATOM   1198 N  N   . THR A 1 164 ? 8.46477   -22.76144 -29.02428 1.000 21.61758  ? 171 THR A N   1 
ATOM   1199 C  CA  . THR A 1 164 ? 8.06801   -23.18294 -30.35816 1.000 21.65969  ? 171 THR A CA  1 
ATOM   1200 C  C   . THR A 1 164 ? 6.92254   -22.31962 -30.85293 1.000 20.49351  ? 171 THR A C   1 
ATOM   1201 O  O   . THR A 1 164 ? 6.14461   -21.78099 -30.05937 1.000 21.69791  ? 171 THR A O   1 
ATOM   1202 C  CB  . THR A 1 164 ? 7.62959   -24.65524 -30.40228 1.000 24.41965  ? 171 THR A CB  1 
ATOM   1203 O  OG1 . THR A 1 164 ? 6.50172   -24.84145 -29.53650 1.000 28.42456  ? 171 THR A OG1 1 
ATOM   1204 C  CG2 . THR A 1 164 ? 8.76897   -25.57863 -29.98193 1.000 26.52239  ? 171 THR A CG2 1 
ATOM   1205 N  N   . VAL A 1 165 ? 6.82712   -22.20573 -32.17620 1.000 24.83614  ? 172 VAL A N   1 
ATOM   1206 C  CA  . VAL A 1 165 ? 5.70934   -21.53990 -32.83008 1.000 25.30237  ? 172 VAL A CA  1 
ATOM   1207 C  C   . VAL A 1 165 ? 5.24601   -22.42891 -33.97262 1.000 25.25126  ? 172 VAL A C   1 
ATOM   1208 O  O   . VAL A 1 165 ? 6.06584   -22.91848 -34.75839 1.000 25.42059  ? 172 VAL A O   1 
ATOM   1209 C  CB  . VAL A 1 165 ? 6.08995   -20.13729 -33.34790 1.000 26.15618  ? 172 VAL A CB  1 
ATOM   1210 C  CG1 . VAL A 1 165 ? 4.91956   -19.50644 -34.10255 1.000 25.39523  ? 172 VAL A CG1 1 
ATOM   1211 C  CG2 . VAL A 1 165 ? 6.53448   -19.24993 -32.20589 1.000 24.45677  ? 172 VAL A CG2 1 
ATOM   1212 N  N   . ARG A 1 166 ? 3.93459   -22.63713 -34.06585 1.000 25.63861  ? 173 ARG A N   1 
ATOM   1213 C  CA  . ARG A 1 166 ? 3.35808   -23.38934 -35.17005 1.000 26.28559  ? 173 ARG A CA  1 
ATOM   1214 C  C   . ARG A 1 166 ? 2.02309   -22.76819 -35.54793 1.000 26.03593  ? 173 ARG A C   1 
ATOM   1215 O  O   . ARG A 1 166 ? 1.38816   -22.08211 -34.74488 1.000 25.18828  ? 173 ARG A O   1 
ATOM   1216 C  CB  . ARG A 1 166 ? 3.14466   -24.86953 -34.81801 1.000 33.70947  ? 173 ARG A CB  1 
ATOM   1217 C  CG  . ARG A 1 166 ? 2.13967   -25.08592 -33.68975 1.000 33.75401  ? 173 ARG A CG  1 
ATOM   1218 C  CD  . ARG A 1 166 ? 2.28960   -26.45931 -33.04592 1.000 43.70379  ? 173 ARG A CD  1 
ATOM   1219 N  NE  . ARG A 1 166 ? 3.36332   -26.48038 -32.05774 1.000 45.50424  ? 173 ARG A NE  1 
ATOM   1220 C  CZ  . ARG A 1 166 ? 3.96551   -27.58054 -31.62410 1.000 54.36455  ? 173 ARG A CZ  1 
ATOM   1221 N  NH1 . ARG A 1 166 ? 3.58947   -28.78141 -32.03179 1.000 45.66207  ? 173 ARG A NH1 1 
ATOM   1222 N  NH2 . ARG A 1 166 ? 4.97146   -27.47300 -30.75979 1.000 51.70759  ? 173 ARG A NH2 1 
ATOM   1223 N  N   . THR A 1 167 ? 1.60063   -23.01467 -36.78545 1.000 28.84518  ? 174 THR A N   1 
ATOM   1224 C  CA  . THR A 1 167 ? 0.23686   -22.67255 -37.15954 1.000 27.86136  ? 174 THR A CA  1 
ATOM   1225 C  C   . THR A 1 167 ? -0.72002  -23.52036 -36.33193 1.000 38.04509  ? 174 THR A C   1 
ATOM   1226 O  O   . THR A 1 167 ? -0.48738  -24.71362 -36.11897 1.000 37.23714  ? 174 THR A O   1 
ATOM   1227 C  CB  . THR A 1 167 ? 0.01471   -22.90261 -38.65537 1.000 39.24296  ? 174 THR A CB  1 
ATOM   1228 O  OG1 . THR A 1 167 ? 0.83030   -21.98958 -39.39922 1.000 42.45156  ? 174 THR A OG1 1 
ATOM   1229 C  CG2 . THR A 1 167 ? -1.44358  -22.66457 -39.02089 1.000 53.60780  ? 174 THR A CG2 1 
ATOM   1230 N  N   . ASP A 1 168 ? -1.78070  -22.89881 -35.82702 1.000 32.29415  ? 175 ASP A N   1 
ATOM   1231 C  CA  . ASP A 1 168 ? -2.73243  -23.59475 -34.97345 1.000 36.67365  ? 175 ASP A CA  1 
ATOM   1232 C  C   . ASP A 1 168 ? -3.90396  -24.07100 -35.81842 1.000 42.72498  ? 175 ASP A C   1 
ATOM   1233 O  O   . ASP A 1 168 ? -4.65430  -23.25543 -36.36343 1.000 45.95880  ? 175 ASP A O   1 
ATOM   1234 C  CB  . ASP A 1 168 ? -3.22620  -22.70576 -33.83541 1.000 35.36087  ? 175 ASP A CB  1 
ATOM   1235 C  CG  . ASP A 1 168 ? -4.13693  -23.45139 -32.87649 1.000 49.37231  ? 175 ASP A CG  1 
ATOM   1236 O  OD1 . ASP A 1 168 ? -3.80396  -24.59811 -32.50978 1.000 56.15903  ? 175 ASP A OD1 1 
ATOM   1237 O  OD2 . ASP A 1 168 ? -5.19263  -22.90084 -32.50504 1.000 39.32261  ? 175 ASP A OD2 1 
ATOM   1238 N  N   . THR A 1 169 ? -4.05221  -25.38659 -35.92258 1.000 57.30916  ? 176 THR A N   1 
ATOM   1239 C  CA  . THR A 1 169 ? -5.15933  -26.00205 -36.63676 1.000 77.39278  ? 176 THR A CA  1 
ATOM   1240 C  C   . THR A 1 169 ? -6.36049  -26.25774 -35.74052 1.000 69.17921  ? 176 THR A C   1 
ATOM   1241 O  O   . THR A 1 169 ? -7.37734  -26.76866 -36.22039 1.000 60.63461  ? 176 THR A O   1 
ATOM   1242 C  CB  . THR A 1 169 ? -4.70598  -27.31989 -37.26802 1.000 71.13576  ? 176 THR A CB  1 
ATOM   1243 O  OG1 . THR A 1 169 ? -3.90067  -28.04152 -36.32571 1.000 70.83869  ? 176 THR A OG1 1 
ATOM   1244 C  CG2 . THR A 1 169 ? -3.88951  -27.04864 -38.52173 1.000 60.23618  ? 176 THR A CG2 1 
ATOM   1245 N  N   . GLY A 1 170 ? -6.26640  -25.91724 -34.45859 1.000 67.33503  ? 177 GLY A N   1 
ATOM   1246 C  CA  . GLY A 1 170 ? -7.34866  -26.15550 -33.52860 1.000 72.02231  ? 177 GLY A CA  1 
ATOM   1247 C  C   . GLY A 1 170 ? -8.53569  -25.23254 -33.70995 1.000 47.14867  ? 177 GLY A C   1 
ATOM   1248 O  O   . GLY A 1 170 ? -8.73613  -24.64975 -34.77940 1.000 56.02167  ? 177 GLY A O   1 
ATOM   1249 N  N   . GLU A 1 171 ? -9.32138  -25.09819 -32.65324 1.000 58.03395  ? 178 GLU A N   1 
ATOM   1250 C  CA  . GLU A 1 171 ? -10.55514 -24.32686 -32.66483 1.000 52.42543  ? 178 GLU A CA  1 
ATOM   1251 C  C   . GLU A 1 171 ? -10.29006 -22.87847 -33.06427 1.000 44.53918  ? 178 GLU A C   1 
ATOM   1252 O  O   . GLU A 1 171 ? -9.51178  -22.19690 -32.38522 1.000 36.16794  ? 178 GLU A O   1 
ATOM   1253 C  CB  . GLU A 1 171 ? -11.18337 -24.38890 -31.27429 1.000 55.29776  ? 178 GLU A CB  1 
ATOM   1254 C  CG  . GLU A 1 171 ? -12.67871 -24.25685 -31.26631 1.000 57.24035  ? 178 GLU A CG  1 
ATOM   1255 C  CD  . GLU A 1 171 ? -13.32996 -25.18927 -32.25765 1.000 61.53532  ? 178 GLU A CD  1 
ATOM   1256 O  OE1 . GLU A 1 171 ? -13.98933 -24.67953 -33.17989 1.000 62.39798  ? 178 GLU A OE1 1 
ATOM   1257 O  OE2 . GLU A 1 171 ? -13.18187 -26.42336 -32.12044 1.000 54.37265  ? 178 GLU A OE2 1 
ATOM   1258 N  N   . PRO A 1 172 ? -10.88057 -22.37852 -34.15153 1.000 43.26922  ? 179 PRO A N   1 
ATOM   1259 C  CA  . PRO A 1 172 ? -10.68323 -20.96479 -34.50884 1.000 42.55220  ? 179 PRO A CA  1 
ATOM   1260 C  C   . PRO A 1 172 ? -11.21534 -20.04384 -33.41934 1.000 43.41026  ? 179 PRO A C   1 
ATOM   1261 O  O   . PRO A 1 172 ? -12.29922 -20.26525 -32.87658 1.000 53.64136  ? 179 PRO A O   1 
ATOM   1262 C  CB  . PRO A 1 172 ? -11.47970 -20.79822 -35.80951 1.000 44.17929  ? 179 PRO A CB  1 
ATOM   1263 C  CG  . PRO A 1 172 ? -11.90348 -22.15461 -36.24203 1.000 47.26343  ? 179 PRO A CG  1 
ATOM   1264 C  CD  . PRO A 1 172 ? -11.48478 -23.17218 -35.23608 1.000 52.56457  ? 179 PRO A CD  1 
ATOM   1265 N  N   . MET A 1 173 ? -10.45241 -18.99077 -33.10645 1.000 36.11817  ? 180 MET A N   1 
ATOM   1266 C  CA  . MET A 1 173 ? -10.85944 -18.06826 -32.04949 1.000 37.48420  ? 180 MET A CA  1 
ATOM   1267 C  C   . MET A 1 173 ? -11.44350 -16.75449 -32.55152 1.000 47.37088  ? 180 MET A C   1 
ATOM   1268 O  O   . MET A 1 173 ? -12.02306 -16.01492 -31.74917 1.000 52.52298  ? 180 MET A O   1 
ATOM   1269 C  CB  . MET A 1 173 ? -9.69450  -17.73080 -31.11261 1.000 38.82862  ? 180 MET A CB  1 
ATOM   1270 C  CG  . MET A 1 173 ? -8.63932  -18.78116 -30.93292 1.000 50.21524  ? 180 MET A CG  1 
ATOM   1271 S  SD  . MET A 1 173 ? -7.14578  -17.94241 -30.38563 1.000 47.61859  ? 180 MET A SD  1 
ATOM   1272 C  CE  . MET A 1 173 ? -7.82611  -16.79634 -29.19539 1.000 41.83675  ? 180 MET A CE  1 
ATOM   1273 N  N   . GLY A 1 174 ? -11.28710 -16.42526 -33.82678 1.000 35.27856  ? 181 GLY A N   1 
ATOM   1274 C  CA  . GLY A 1 174 ? -11.84452 -15.18155 -34.32246 1.000 32.66870  ? 181 GLY A CA  1 
ATOM   1275 C  C   . GLY A 1 174 ? -10.89664 -14.01363 -34.15457 1.000 29.95454  ? 181 GLY A C   1 
ATOM   1276 O  O   . GLY A 1 174 ? -10.44571 -13.43496 -35.14769 1.000 32.46466  ? 181 GLY A O   1 
ATOM   1277 N  N   . ARG A 1 175 ? -10.59059 -13.66106 -32.90375 1.000 25.06667  ? 182 ARG A N   1 
ATOM   1278 C  CA  . ARG A 1 175 ? -9.59472  -12.64339 -32.59265 1.000 23.73610  ? 182 ARG A CA  1 
ATOM   1279 C  C   . ARG A 1 175 ? -9.31149  -12.69519 -31.09995 1.000 23.22201  ? 182 ARG A C   1 
ATOM   1280 O  O   . ARG A 1 175 ? -10.24140 -12.81873 -30.30105 1.000 26.16431  ? 182 ARG A O   1 
ATOM   1281 C  CB  . ARG A 1 175 ? -10.07656 -11.23503 -32.97407 1.000 22.25288  ? 182 ARG A CB  1 
ATOM   1282 C  CG  . ARG A 1 175 ? -8.99569  -10.16393 -32.79584 1.000 24.93616  ? 182 ARG A CG  1 
ATOM   1283 C  CD  . ARG A 1 175 ? -9.56621  -8.75365  -32.67177 1.000 22.31535  ? 182 ARG A CD  1 
ATOM   1284 N  NE  . ARG A 1 175 ? -10.47380 -8.62326  -31.53186 1.000 23.84342  ? 182 ARG A NE  1 
ATOM   1285 C  CZ  . ARG A 1 175 ? -11.79379 -8.51412  -31.61146 1.000 23.17527  ? 182 ARG A CZ  1 
ATOM   1286 N  NH1 . ARG A 1 175 ? -12.42263 -8.48179  -32.77954 1.000 25.63900  ? 182 ARG A NH1 1 
ATOM   1287 N  NH2 . ARG A 1 175 ? -12.50628 -8.42938  -30.48960 1.000 23.41255  ? 182 ARG A NH2 1 
ATOM   1288 N  N   . GLY A 1 176 ? -8.03464  -12.59195 -30.72491 1.000 23.41994  ? 183 GLY A N   1 
ATOM   1289 C  CA  . GLY A 1 176 ? -7.72664  -12.52481 -29.31273 1.000 22.37563  ? 183 GLY A CA  1 
ATOM   1290 C  C   . GLY A 1 176 ? -6.58987  -13.44621 -28.94157 1.000 26.43097  ? 183 GLY A C   1 
ATOM   1291 O  O   . GLY A 1 176 ? -5.79456  -13.86491 -29.78921 1.000 24.34325  ? 183 GLY A O   1 
ATOM   1292 N  N   . THR A 1 177 ? -6.50093  -13.75499 -27.65206 1.000 19.86431  ? 184 THR A N   1 
ATOM   1293 C  CA  . THR A 1 177 ? -5.39233  -14.54353 -27.13369 1.000 19.73557  ? 184 THR A CA  1 
ATOM   1294 C  C   . THR A 1 177 ? -5.89085  -15.49084 -26.05568 1.000 26.69374  ? 184 THR A C   1 
ATOM   1295 O  O   . THR A 1 177 ? -6.71826  -15.11718 -25.21814 1.000 22.99361  ? 184 THR A O   1 
ATOM   1296 C  CB  . THR A 1 177 ? -4.28244  -13.63913 -26.57249 1.000 23.26685  ? 184 THR A CB  1 
ATOM   1297 O  OG1 . THR A 1 177 ? -3.73280  -12.85660 -27.63430 1.000 26.34435  ? 184 THR A OG1 1 
ATOM   1298 C  CG2 . THR A 1 177 ? -3.16491  -14.46082 -25.91080 1.000 24.66425  ? 184 THR A CG2 1 
ATOM   1299 N  N   . LYS A 1 178 ? -5.37748  -16.71915 -26.08620 1.000 21.69601  ? 185 LYS A N   1 
ATOM   1300 C  CA  . LYS A 1 178 ? -5.69527  -17.75350 -25.11008 1.000 20.65833  ? 185 LYS A CA  1 
ATOM   1301 C  C   . LYS A 1 178 ? -4.38635  -18.17824 -24.45851 1.000 19.04855  ? 185 LYS A C   1 
ATOM   1302 O  O   . LYS A 1 178 ? -3.49760  -18.68043 -25.14739 1.000 24.12050  ? 185 LYS A O   1 
ATOM   1303 C  CB  . LYS A 1 178 ? -6.35918  -18.93469 -25.82240 1.000 27.38512  ? 185 LYS A CB  1 
ATOM   1304 C  CG  . LYS A 1 178 ? -6.56357  -20.18950 -25.02615 1.000 34.84636  ? 185 LYS A CG  1 
ATOM   1305 C  CD  . LYS A 1 178 ? -7.66642  -21.05278 -25.66435 1.000 42.00763  ? 185 LYS A CD  1 
ATOM   1306 C  CE  . LYS A 1 178 ? -8.64880  -20.21988 -26.47430 1.000 42.04586  ? 185 LYS A CE  1 
ATOM   1307 N  NZ  . LYS A 1 178 ? -9.79801  -21.03285 -26.98018 1.000 63.43716  ? 185 LYS A NZ  1 
ATOM   1308 N  N   . VAL A 1 179 ? -4.25039  -17.96411 -23.15006 1.000 19.32757  ? 186 VAL A N   1 
ATOM   1309 C  CA  . VAL A 1 179 ? -3.05519  -18.38868 -22.41520 1.000 20.05079  ? 186 VAL A CA  1 
ATOM   1310 C  C   . VAL A 1 179 ? -3.42238  -19.62910 -21.61193 1.000 22.80417  ? 186 VAL A C   1 
ATOM   1311 O  O   . VAL A 1 179 ? -4.24184  -19.55899 -20.68794 1.000 22.33169  ? 186 VAL A O   1 
ATOM   1312 C  CB  . VAL A 1 179 ? -2.50600  -17.28274 -21.49836 1.000 20.58556  ? 186 VAL A CB  1 
ATOM   1313 C  CG1 . VAL A 1 179 ? -1.31974  -17.80520 -20.68902 1.000 21.53736  ? 186 VAL A CG1 1 
ATOM   1314 C  CG2 . VAL A 1 179 ? -2.06545  -16.08626 -22.32325 1.000 19.80572  ? 186 VAL A CG2 1 
ATOM   1315 N  N   . ILE A 1 180 ? -2.81611  -20.76065 -21.95883 1.000 19.00646  ? 187 ILE A N   1 
ATOM   1316 C  CA  . ILE A 1 180 ? -3.10874  -22.04430 -21.32766 1.000 20.46074  ? 187 ILE A CA  1 
ATOM   1317 C  C   . ILE A 1 180 ? -1.96881  -22.35824 -20.36851 1.000 22.21984  ? 187 ILE A C   1 
ATOM   1318 O  O   . ILE A 1 180 ? -0.83584  -22.59306 -20.80000 1.000 21.03848  ? 187 ILE A O   1 
ATOM   1319 C  CB  . ILE A 1 180 ? -3.26923  -23.16260 -22.36390 1.000 22.36623  ? 187 ILE A CB  1 
ATOM   1320 C  CG1 . ILE A 1 180 ? -4.35077  -22.79137 -23.38535 1.000 24.45064  ? 187 ILE A CG1 1 
ATOM   1321 C  CG2 . ILE A 1 180 ? -3.60108  -24.48117 -21.66368 1.000 24.40003  ? 187 ILE A CG2 1 
ATOM   1322 C  CD1 . ILE A 1 180 ? -4.40555  -23.71938 -24.57940 1.000 29.86291  ? 187 ILE A CD1 1 
ATOM   1323 N  N   . LEU A 1 181 ? -2.26751  -22.37143 -19.06911 1.000 18.92829  ? 188 LEU A N   1 
ATOM   1324 C  CA  . LEU A 1 181 ? -1.28570  -22.66332 -18.02772 1.000 19.65290  ? 188 LEU A CA  1 
ATOM   1325 C  C   . LEU A 1 181 ? -1.39055  -24.14002 -17.66925 1.000 22.39915  ? 188 LEU A C   1 
ATOM   1326 O  O   . LEU A 1 181 ? -2.39407  -24.56962 -17.09583 1.000 23.51009  ? 188 LEU A O   1 
ATOM   1327 C  CB  . LEU A 1 181 ? -1.52633  -21.79775 -16.79185 1.000 19.65620  ? 188 LEU A CB  1 
ATOM   1328 C  CG  . LEU A 1 181 ? -1.61566  -20.29195 -17.02245 1.000 21.51089  ? 188 LEU A CG  1 
ATOM   1329 C  CD1 . LEU A 1 181 ? -1.94588  -19.61115 -15.70552 1.000 23.69932  ? 188 LEU A CD1 1 
ATOM   1330 C  CD2 . LEU A 1 181 ? -0.31442  -19.76903 -17.58330 1.000 22.08000  ? 188 LEU A CD2 1 
ATOM   1331 N  N   . HIS A 1 182 ? -0.34905  -24.91103 -17.97845 1.000 22.39919  ? 189 HIS A N   1 
ATOM   1332 C  CA  . HIS A 1 182 ? -0.27197  -26.30989 -17.55741 1.000 21.70281  ? 189 HIS A CA  1 
ATOM   1333 C  C   . HIS A 1 182 ? 0.35488   -26.29146 -16.16827 1.000 23.39512  ? 189 HIS A C   1 
ATOM   1334 O  O   . HIS A 1 182 ? 1.56034   -26.09779 -16.02225 1.000 24.03161  ? 189 HIS A O   1 
ATOM   1335 C  CB  . HIS A 1 182 ? 0.53768   -27.13150 -18.55465 1.000 22.16492  ? 189 HIS A CB  1 
ATOM   1336 C  CG  . HIS A 1 182 ? 0.03258   -27.02684 -19.95990 1.000 27.40921  ? 189 HIS A CG  1 
ATOM   1337 N  ND1 . HIS A 1 182 ? -0.73510  -28.00592 -20.55252 1.000 31.93640  ? 189 HIS A ND1 1 
ATOM   1338 C  CD2 . HIS A 1 182 ? 0.17247   -26.04575 -20.88396 1.000 24.71307  ? 189 HIS A CD2 1 
ATOM   1339 C  CE1 . HIS A 1 182 ? -1.03733  -27.63730 -21.78591 1.000 32.65423  ? 189 HIS A CE1 1 
ATOM   1340 N  NE2 . HIS A 1 182 ? -0.49974  -26.45166 -22.01164 1.000 29.94217  ? 189 HIS A NE2 1 
ATOM   1341 N  N   . LEU A 1 183 ? -0.47299  -26.44014 -15.14082 1.000 23.60975  ? 190 LEU A N   1 
ATOM   1342 C  CA  . LEU A 1 183 ? -0.04581  -26.10426 -13.79063 1.000 26.19664  ? 190 LEU A CA  1 
ATOM   1343 C  C   . LEU A 1 183 ? 0.92067   -27.14312 -13.23888 1.000 25.17697  ? 190 LEU A C   1 
ATOM   1344 O  O   . LEU A 1 183 ? 0.83008   -28.33469 -13.54732 1.000 27.53999  ? 190 LEU A O   1 
ATOM   1345 C  CB  . LEU A 1 183 ? -1.25766  -25.99534 -12.86586 1.000 23.91339  ? 190 LEU A CB  1 
ATOM   1346 C  CG  . LEU A 1 183 ? -2.20543  -24.83364 -13.15408 1.000 23.03086  ? 190 LEU A CG  1 
ATOM   1347 C  CD1 . LEU A 1 183 ? -3.31509  -24.78498 -12.11654 1.000 25.69412  ? 190 LEU A CD1 1 
ATOM   1348 C  CD2 . LEU A 1 183 ? -1.44692  -23.52699 -13.17388 1.000 27.73498  ? 190 LEU A CD2 1 
ATOM   1349 N  N   . LYS A 1 184 ? 1.84928   -26.67769 -12.40031 1.000 25.75658  ? 191 LYS A N   1 
ATOM   1350 C  CA  . LYS A 1 184 ? 2.68233   -27.59128 -11.63053 1.000 28.61587  ? 191 LYS A CA  1 
ATOM   1351 C  C   . LYS A 1 184 ? 1.81817   -28.41767 -10.68756 1.000 29.29195  ? 191 LYS A C   1 
ATOM   1352 O  O   . LYS A 1 184 ? 0.74893   -27.98521 -10.25059 1.000 29.64889  ? 191 LYS A O   1 
ATOM   1353 C  CB  . LYS A 1 184 ? 3.73829   -26.82927 -10.82371 1.000 32.29806  ? 191 LYS A CB  1 
ATOM   1354 C  CG  . LYS A 1 184 ? 4.75059   -26.04463 -11.65677 1.000 36.36213  ? 191 LYS A CG  1 
ATOM   1355 C  CD  . LYS A 1 184 ? 5.39403   -24.92445 -10.82594 1.000 36.81182  ? 191 LYS A CD  1 
ATOM   1356 C  CE  . LYS A 1 184 ? 6.36663   -24.09564 -11.64790 1.000 42.42264  ? 191 LYS A CE  1 
ATOM   1357 N  NZ  . LYS A 1 184 ? 7.21296   -23.19686 -10.80149 1.000 47.26088  ? 191 LYS A NZ  1 
ATOM   1358 N  N   . GLU A 1 185 ? 2.31025   -29.61308 -10.35622 1.000 30.95221  ? 192 GLU A N   1 
ATOM   1359 C  CA  . GLU A 1 185 ? 1.51257   -30.56851 -9.59412  1.000 33.66322  ? 192 GLU A CA  1 
ATOM   1360 C  C   . GLU A 1 185 ? 1.08879   -30.01302 -8.23743  1.000 41.04142  ? 192 GLU A C   1 
ATOM   1361 O  O   . GLU A 1 185 ? 0.01531   -30.36448 -7.73393  1.000 38.40634  ? 192 GLU A O   1 
ATOM   1362 C  CB  . GLU A 1 185 ? 2.30108   -31.87380 -9.43575  1.000 39.31035  ? 192 GLU A CB  1 
ATOM   1363 C  CG  . GLU A 1 185 ? 1.72327   -32.87673 -8.46045  1.000 62.66955  ? 192 GLU A CG  1 
ATOM   1364 C  CD  . GLU A 1 185 ? 2.71255   -33.97476 -8.11749  1.000 84.35567  ? 192 GLU A CD  1 
ATOM   1365 O  OE1 . GLU A 1 185 ? 3.85472   -33.92466 -8.62259  1.000 77.47176  ? 192 GLU A OE1 1 
ATOM   1366 O  OE2 . GLU A 1 185 ? 2.35203   -34.88372 -7.33970  1.000 90.54810  ? 192 GLU A OE2 1 
ATOM   1367 N  N   . ASP A 1 186 ? 1.89447   -29.13879 -7.63650  1.000 32.64119  ? 193 ASP A N   1 
ATOM   1368 C  CA  . ASP A 1 186 ? 1.59152   -28.60806 -6.31354  1.000 33.17035  ? 193 ASP A CA  1 
ATOM   1369 C  C   . ASP A 1 186 ? 0.90627   -27.24688 -6.36519  1.000 30.18289  ? 193 ASP A C   1 
ATOM   1370 O  O   . ASP A 1 186 ? 0.79900   -26.57697 -5.33294  1.000 30.34476  ? 193 ASP A O   1 
ATOM   1371 C  CB  . ASP A 1 186 ? 2.86308   -28.52605 -5.46626  1.000 37.83905  ? 193 ASP A CB  1 
ATOM   1372 C  CG  . ASP A 1 186 ? 3.88108   -27.55062 -6.02062  1.000 44.55261  ? 193 ASP A CG  1 
ATOM   1373 O  OD1 . ASP A 1 186 ? 3.74033   -27.11498 -7.18361  1.000 53.15449  ? 193 ASP A OD1 1 
ATOM   1374 O  OD2 . ASP A 1 186 ? 4.83062   -27.21311 -5.28193  1.000 52.35786  ? 193 ASP A OD2 1 
ATOM   1375 N  N   . GLN A 1 187 ? 0.42557   -26.83248 -7.53293  1.000 26.23603  ? 194 GLN A N   1 
ATOM   1376 C  CA  . GLN A 1 187 ? -0.18748  -25.52199 -7.69456  1.000 23.57556  ? 194 GLN A CA  1 
ATOM   1377 C  C   . GLN A 1 187 ? -1.64395  -25.64001 -8.13036  1.000 25.62462  ? 194 GLN A C   1 
ATOM   1378 O  O   . GLN A 1 187 ? -2.18593  -24.72566 -8.75122  1.000 25.71019  ? 194 GLN A O   1 
ATOM   1379 C  CB  . GLN A 1 187 ? 0.60533   -24.67866 -8.69343  1.000 27.29936  ? 194 GLN A CB  1 
ATOM   1380 C  CG  . GLN A 1 187 ? 2.04608   -24.40026 -8.26973  1.000 26.49312  ? 194 GLN A CG  1 
ATOM   1381 C  CD  . GLN A 1 187 ? 2.14883   -23.69996 -6.92774  1.000 30.82397  ? 194 GLN A CD  1 
ATOM   1382 O  OE1 . GLN A 1 187 ? 1.34696   -22.82474 -6.60775  1.000 32.64208  ? 194 GLN A OE1 1 
ATOM   1383 N  NE2 . GLN A 1 187 ? 3.15527   -24.06339 -6.14913  1.000 31.59474  ? 194 GLN A NE2 1 
ATOM   1384 N  N   . THR A 1 188 ? -2.29530  -26.75796 -7.80725  1.000 28.85378  ? 195 THR A N   1 
ATOM   1385 C  CA  . THR A 1 188 ? -3.65896  -26.97055 -8.28004  1.000 33.01805  ? 195 THR A CA  1 
ATOM   1386 C  C   . THR A 1 188 ? -4.69900  -26.15837 -7.51810  1.000 31.78109  ? 195 THR A C   1 
ATOM   1387 O  O   . THR A 1 188 ? -5.87890  -26.20335 -7.89029  1.000 29.60685  ? 195 THR A O   1 
ATOM   1388 C  CB  . THR A 1 188 ? -4.02980  -28.45353 -8.20963  1.000 30.47318  ? 195 THR A CB  1 
ATOM   1389 O  OG1 . THR A 1 188 ? -3.91378  -28.91425 -6.85879  1.000 34.97338  ? 195 THR A OG1 1 
ATOM   1390 C  CG2 . THR A 1 188 ? -3.12507  -29.27625 -9.12003  1.000 32.95019  ? 195 THR A CG2 1 
ATOM   1391 N  N   . GLU A 1 189 ? -4.30355  -25.41995 -6.47313  1.000 28.48475  ? 196 GLU A N   1 
ATOM   1392 C  CA  . GLU A 1 189 ? -5.25934  -24.54032 -5.80402  1.000 27.75225  ? 196 GLU A CA  1 
ATOM   1393 C  C   . GLU A 1 189 ? -5.83437  -23.51264 -6.76734  1.000 24.17744  ? 196 GLU A C   1 
ATOM   1394 O  O   . GLU A 1 189 ? -6.95019  -23.02571 -6.56005  1.000 26.85015  ? 196 GLU A O   1 
ATOM   1395 C  CB  . GLU A 1 189 ? -4.60778  -23.83051 -4.61477  1.000 28.30833  ? 196 GLU A CB  1 
ATOM   1396 C  CG  . GLU A 1 189 ? -3.57905  -22.77764 -5.00399  1.000 27.93546  ? 196 GLU A CG  1 
ATOM   1397 C  CD  . GLU A 1 189 ? -2.76943  -22.29936 -3.82123  1.000 36.10347  ? 196 GLU A CD  1 
ATOM   1398 O  OE1 . GLU A 1 189 ? -1.86838  -23.04920 -3.39524  1.000 36.10748  ? 196 GLU A OE1 1 
ATOM   1399 O  OE2 . GLU A 1 189 ? -3.03218  -21.18508 -3.31154  1.000 32.86169  ? 196 GLU A OE2 1 
ATOM   1400 N  N   . TYR A 1 190 ? -5.09690  -23.17439 -7.82282  1.000 25.16878  ? 197 TYR A N   1 
ATOM   1401 C  CA  . TYR A 1 190 ? -5.53462  -22.17430 -8.78780  1.000 23.77555  ? 197 TYR A CA  1 
ATOM   1402 C  C   . TYR A 1 190 ? -6.54266  -22.72469 -9.78502  1.000 24.28066  ? 197 TYR A C   1 
ATOM   1403 O  O   . TYR A 1 190 ? -6.90330  -22.02394 -10.73570 1.000 26.68311  ? 197 TYR A O   1 
ATOM   1404 C  CB  . TYR A 1 190 ? -4.31285  -21.57907 -9.49328  1.000 24.52514  ? 197 TYR A CB  1 
ATOM   1405 C  CG  . TYR A 1 190 ? -3.39665  -20.93946 -8.47997  1.000 24.64655  ? 197 TYR A CG  1 
ATOM   1406 C  CD1 . TYR A 1 190 ? -3.79716  -19.81287 -7.78027  1.000 23.53320  ? 197 TYR A CD1 1 
ATOM   1407 C  CD2 . TYR A 1 190 ? -2.16556  -21.50406 -8.16576  1.000 25.23271  ? 197 TYR A CD2 1 
ATOM   1408 C  CE1 . TYR A 1 190 ? -2.98616  -19.24204 -6.82423  1.000 25.94214  ? 197 TYR A CE1 1 
ATOM   1409 C  CE2 . TYR A 1 190 ? -1.34430  -20.93783 -7.20831  1.000 28.69555  ? 197 TYR A CE2 1 
ATOM   1410 C  CZ  . TYR A 1 190 ? -1.76408  -19.80029 -6.53926  1.000 24.49664  ? 197 TYR A CZ  1 
ATOM   1411 O  OH  . TYR A 1 190 ? -0.97514  -19.21659 -5.57922  1.000 27.87657  ? 197 TYR A OH  1 
ATOM   1412 N  N   . LEU A 1 191 ? -7.00511  -23.95798 -9.57812  1.000 23.01841  ? 198 LEU A N   1 
ATOM   1413 C  CA  . LEU A 1 191 ? -8.14441  -24.50187 -10.29702 1.000 24.84178  ? 198 LEU A CA  1 
ATOM   1414 C  C   . LEU A 1 191 ? -9.42231  -24.46970 -9.47473  1.000 28.90180  ? 198 LEU A C   1 
ATOM   1415 O  O   . LEU A 1 191 ? -10.48680 -24.80961 -10.00014 1.000 29.95269  ? 198 LEU A O   1 
ATOM   1416 C  CB  . LEU A 1 191 ? -7.86461  -25.94715 -10.72321 1.000 24.54266  ? 198 LEU A CB  1 
ATOM   1417 C  CG  . LEU A 1 191 ? -6.62351  -26.13778 -11.58686 1.000 23.92185  ? 198 LEU A CG  1 
ATOM   1418 C  CD1 . LEU A 1 191 ? -6.37177  -27.61621 -11.83569 1.000 30.39933  ? 198 LEU A CD1 1 
ATOM   1419 C  CD2 . LEU A 1 191 ? -6.77175  -25.37690 -12.89648 1.000 29.15079  ? 198 LEU A CD2 1 
ATOM   1420 N  N   . GLU A 1 192 ? -9.34310  -24.09907 -8.19984  1.000 24.82675  ? 199 GLU A N   1 
ATOM   1421 C  CA  . GLU A 1 192 ? -10.50494 -24.11750 -7.32397  1.000 25.89959  ? 199 GLU A CA  1 
ATOM   1422 C  C   . GLU A 1 192 ? -11.25900 -22.80285 -7.45308  1.000 28.34756  ? 199 GLU A C   1 
ATOM   1423 O  O   . GLU A 1 192 ? -10.65280 -21.72611 -7.41323  1.000 26.36894  ? 199 GLU A O   1 
ATOM   1424 C  CB  . GLU A 1 192 ? -10.08419 -24.36452 -5.87646  1.000 31.85656  ? 199 GLU A CB  1 
ATOM   1425 C  CG  . GLU A 1 192 ? -9.46282  -25.73864 -5.65581  1.000 35.80816  ? 199 GLU A CG  1 
ATOM   1426 C  CD  . GLU A 1 192 ? -8.88699  -25.91297 -4.26233  1.000 73.07929  ? 199 GLU A CD  1 
ATOM   1427 O  OE1 . GLU A 1 192 ? -7.82393  -26.55922 -4.13687  1.000 74.14811  ? 199 GLU A OE1 1 
ATOM   1428 O  OE2 . GLU A 1 192 ? -9.49737  -25.40837 -3.29321  1.000 78.56414  ? 199 GLU A OE2 1 
ATOM   1429 N  N   . GLU A 1 193 ? -12.58007 -22.89909 -7.62694  1.000 26.44031  ? 200 GLU A N   1 
ATOM   1430 C  CA  . GLU A 1 193 ? -13.39319 -21.70950 -7.86862  1.000 24.95540  ? 200 GLU A CA  1 
ATOM   1431 C  C   . GLU A 1 193 ? -13.18057 -20.65558 -6.78782  1.000 24.69918  ? 200 GLU A C   1 
ATOM   1432 O  O   . GLU A 1 193 ? -13.01597 -19.46802 -7.08577  1.000 25.52983  ? 200 GLU A O   1 
ATOM   1433 C  CB  . GLU A 1 193 ? -14.87699 -22.07955 -7.94566  1.000 28.63635  ? 200 GLU A CB  1 
ATOM   1434 C  CG  . GLU A 1 193 ? -15.73614 -20.95275 -8.49211  1.000 34.89839  ? 200 GLU A CG  1 
ATOM   1435 C  CD  . GLU A 1 193 ? -17.22345 -21.23842 -8.40885  1.000 59.39712  ? 200 GLU A CD  1 
ATOM   1436 O  OE1 . GLU A 1 193 ? -17.60370 -22.26769 -7.81648  1.000 39.09254  ? 200 GLU A OE1 1 
ATOM   1437 O  OE2 . GLU A 1 193 ? -18.01220 -20.42996 -8.94163  1.000 49.11003  ? 200 GLU A OE2 1 
ATOM   1438 N  N   . ARG A 1 194 ? -13.19153 -21.06994 -5.52137  1.000 28.09637  ? 201 ARG A N   1 
ATOM   1439 C  CA  . ARG A 1 194 ? -13.12282 -20.08438 -4.44790  1.000 26.65052  ? 201 ARG A CA  1 
ATOM   1440 C  C   . ARG A 1 194 ? -11.76998 -19.38471 -4.41381  1.000 28.80239  ? 201 ARG A C   1 
ATOM   1441 O  O   . ARG A 1 194 ? -11.69637 -18.19926 -4.06910  1.000 27.21901  ? 201 ARG A O   1 
ATOM   1442 C  CB  . ARG A 1 194 ? -13.43560 -20.74581 -3.10534  1.000 30.12944  ? 201 ARG A CB  1 
ATOM   1443 C  CG  . ARG A 1 194 ? -12.45842 -21.80237 -2.65162  1.000 31.60596  ? 201 ARG A CG  1 
ATOM   1444 C  CD  . ARG A 1 194 ? -12.80428 -22.21206 -1.22086  1.000 36.38957  ? 201 ARG A CD  1 
ATOM   1445 N  NE  . ARG A 1 194 ? -12.01438 -23.33492 -0.73522  1.000 53.48041  ? 201 ARG A NE  1 
ATOM   1446 C  CZ  . ARG A 1 194 ? -12.24726 -23.95584 0.41258   1.000 42.71431  ? 201 ARG A CZ  1 
ATOM   1447 N  NH1 . ARG A 1 194 ? -13.27046 -23.62008 1.18265   1.000 51.56009  ? 201 ARG A NH1 1 
ATOM   1448 N  NH2 . ARG A 1 194 ? -11.43194 -24.93251 0.80015   1.000 59.79547  ? 201 ARG A NH2 1 
ATOM   1449 N  N   . ARG A 1 195 ? -10.69941 -20.08942 -4.78917  1.000 24.30121  ? 202 ARG A N   1 
ATOM   1450 C  CA  . ARG A 1 195 ? -9.37584  -19.47507 -4.81705  1.000 24.32785  ? 202 ARG A CA  1 
ATOM   1451 C  C   . ARG A 1 195 ? -9.26270  -18.47496 -5.96099  1.000 25.03379  ? 202 ARG A C   1 
ATOM   1452 O  O   . ARG A 1 195 ? -8.70523  -17.38344 -5.79137  1.000 23.81085  ? 202 ARG A O   1 
ATOM   1453 C  CB  . ARG A 1 195 ? -8.30724  -20.55993 -4.94548  1.000 24.50739  ? 202 ARG A CB  1 
ATOM   1454 C  CG  . ARG A 1 195 ? -6.85936  -20.05340 -4.92289  1.000 24.51898  ? 202 ARG A CG  1 
ATOM   1455 C  CD  . ARG A 1 195 ? -6.45885  -19.53482 -3.54174  1.000 30.22237  ? 202 ARG A CD  1 
ATOM   1456 N  NE  . ARG A 1 195 ? -5.02911  -19.24635 -3.47339  1.000 26.46729  ? 202 ARG A NE  1 
ATOM   1457 C  CZ  . ARG A 1 195 ? -4.49954  -18.04391 -3.28581  1.000 30.33621  ? 202 ARG A CZ  1 
ATOM   1458 N  NH1 . ARG A 1 195 ? -5.25361  -16.97925 -3.07113  1.000 28.47151  ? 202 ARG A NH1 1 
ATOM   1459 N  NH2 . ARG A 1 195 ? -3.17585  -17.90894 -3.30493  1.000 29.01514  ? 202 ARG A NH2 1 
ATOM   1460 N  N   . ILE A 1 196 ? -9.77131  -18.83275 -7.14033  1.000 23.63922  ? 203 ILE A N   1 
ATOM   1461 C  CA  . ILE A 1 196 ? -9.72787  -17.90351 -8.26415  1.000 22.62401  ? 203 ILE A CA  1 
ATOM   1462 C  C   . ILE A 1 196 ? -10.55097 -16.66058 -7.95211  1.000 22.96018  ? 203 ILE A C   1 
ATOM   1463 O  O   . ILE A 1 196 ? -10.09066 -15.53211 -8.15436  1.000 23.18943  ? 203 ILE A O   1 
ATOM   1464 C  CB  . ILE A 1 196 ? -10.20291 -18.58395 -9.56059  1.000 21.88652  ? 203 ILE A CB  1 
ATOM   1465 C  CG1 . ILE A 1 196 ? -9.29218  -19.77059 -9.91022  1.000 24.86695  ? 203 ILE A CG1 1 
ATOM   1466 C  CG2 . ILE A 1 196 ? -10.21731 -17.57321 -10.70127 1.000 23.40458  ? 203 ILE A CG2 1 
ATOM   1467 C  CD1 . ILE A 1 196 ? -9.95663  -20.78789 -10.83162 1.000 24.73533  ? 203 ILE A CD1 1 
ATOM   1468 N  N   . LYS A 1 197 ? -11.77225 -16.84792 -7.43019  1.000 22.77386  ? 204 LYS A N   1 
ATOM   1469 C  CA  . LYS A 1 197 ? -12.61309 -15.70147 -7.07933  1.000 23.18279  ? 204 LYS A CA  1 
ATOM   1470 C  C   . LYS A 1 197 ? -11.90409 -14.77034 -6.10826  1.000 23.53424  ? 204 LYS A C   1 
ATOM   1471 O  O   . LYS A 1 197 ? -11.96825 -13.54400 -6.25497  1.000 24.75166  ? 204 LYS A O   1 
ATOM   1472 C  CB  . LYS A 1 197 ? -13.93653 -16.14968 -6.44870  1.000 26.79304  ? 204 LYS A CB  1 
ATOM   1473 C  CG  . LYS A 1 197 ? -15.02697 -16.53218 -7.41105  1.000 38.49383  ? 204 LYS A CG  1 
ATOM   1474 C  CD  . LYS A 1 197 ? -16.32493 -16.77510 -6.64583  1.000 43.62064  ? 204 LYS A CD  1 
ATOM   1475 C  CE  . LYS A 1 197 ? -17.12505 -17.91978 -7.22839  1.000 59.97699  ? 204 LYS A CE  1 
ATOM   1476 N  NZ  . LYS A 1 197 ? -17.41977 -18.96762 -6.21053  1.000 64.39874  ? 204 LYS A NZ  1 
ATOM   1477 N  N   . GLU A 1 198 ? -11.24992 -15.34088 -5.09197  1.000 21.88588  ? 205 GLU A N   1 
ATOM   1478 C  CA  . GLU A 1 198 ? -10.53618 -14.54327 -4.09895  1.000 23.89125  ? 205 GLU A CA  1 
ATOM   1479 C  C   . GLU A 1 198 ? -9.45228  -13.69466 -4.74837  1.000 23.35840  ? 205 GLU A C   1 
ATOM   1480 O  O   . GLU A 1 198 ? -9.29446  -12.51016 -4.42480  1.000 23.56776  ? 205 GLU A O   1 
ATOM   1481 C  CB  . GLU A 1 198 ? -9.92528  -15.46366 -3.03881  1.000 21.48969  ? 205 GLU A CB  1 
ATOM   1482 C  CG  . GLU A 1 198 ? -8.99234  -14.78494 -2.04874  1.000 27.24536  ? 205 GLU A CG  1 
ATOM   1483 C  CD  . GLU A 1 198 ? -8.35858  -15.78299 -1.09712  1.000 29.98266  ? 205 GLU A CD  1 
ATOM   1484 O  OE1 . GLU A 1 198 ? -7.80866  -16.78484 -1.60470  1.000 30.60168  ? 205 GLU A OE1 1 
ATOM   1485 O  OE2 . GLU A 1 198 ? -8.39208  -15.56908 0.14049   1.000 29.18109  ? 205 GLU A OE2 1 
ATOM   1486 N  N   . ILE A 1 199 ? -8.68372  -14.29505 -5.65861  1.000 21.31848  ? 206 ILE A N   1 
ATOM   1487 C  CA  . ILE A 1 199 ? -7.57784  -13.58830 -6.29829  1.000 21.41659  ? 206 ILE A CA  1 
ATOM   1488 C  C   . ILE A 1 199 ? -8.09692  -12.48524 -7.20777  1.000 24.86568  ? 206 ILE A C   1 
ATOM   1489 O  O   . ILE A 1 199 ? -7.54172  -11.38000 -7.24480  1.000 25.41407  ? 206 ILE A O   1 
ATOM   1490 C  CB  . ILE A 1 199 ? -6.70082  -14.58234 -7.07905  1.000 24.60615  ? 206 ILE A CB  1 
ATOM   1491 C  CG1 . ILE A 1 199 ? -6.05788  -15.58350 -6.12123  1.000 27.72578  ? 206 ILE A CG1 1 
ATOM   1492 C  CG2 . ILE A 1 199 ? -5.64056  -13.84859 -7.86529  1.000 27.40262  ? 206 ILE A CG2 1 
ATOM   1493 C  CD1 . ILE A 1 199 ? -5.42958  -16.76736 -6.82363  1.000 27.70991  ? 206 ILE A CD1 1 
ATOM   1494 N  N   . VAL A 1 200 ? -9.15409  -12.77017 -7.97074  1.000 21.62127  ? 207 VAL A N   1 
ATOM   1495 C  CA  . VAL A 1 200 ? -9.70541  -11.75479 -8.86142  1.000 20.50186  ? 207 VAL A CA  1 
ATOM   1496 C  C   . VAL A 1 200 ? -10.23367 -10.57688 -8.05417  1.000 23.39933  ? 207 VAL A C   1 
ATOM   1497 O  O   . VAL A 1 200 ? -9.99227  -9.41202  -8.39606  1.000 25.80705  ? 207 VAL A O   1 
ATOM   1498 C  CB  . VAL A 1 200 ? -10.79323 -12.36994 -9.75809  1.000 21.62325  ? 207 VAL A CB  1 
ATOM   1499 C  CG1 . VAL A 1 200 ? -11.57390 -11.26877 -10.47139 1.000 23.80602  ? 207 VAL A CG1 1 
ATOM   1500 C  CG2 . VAL A 1 200 ? -10.16648 -13.34463 -10.75481 1.000 22.56201  ? 207 VAL A CG2 1 
ATOM   1501 N  N   . LYS A 1 201 ? -10.92615 -10.85801 -6.94587  1.000 22.95230  ? 208 LYS A N   1 
ATOM   1502 C  CA  . LYS A 1 201 ? -11.45943 -9.78198  -6.11859  1.000 25.49099  ? 208 LYS A CA  1 
ATOM   1503 C  C   . LYS A 1 201 ? -10.34485 -8.97995  -5.45648  1.000 26.62699  ? 208 LYS A C   1 
ATOM   1504 O  O   . LYS A 1 201 ? -10.46925 -7.76243  -5.29944  1.000 31.70440  ? 208 LYS A O   1 
ATOM   1505 C  CB  . LYS A 1 201 ? -12.40458 -10.36195 -5.06644  1.000 28.82845  ? 208 LYS A CB  1 
ATOM   1506 C  CG  . LYS A 1 201 ? -12.97799 -9.35026  -4.09405  1.000 35.53323  ? 208 LYS A CG  1 
ATOM   1507 C  CD  . LYS A 1 201 ? -13.99190 -10.00760 -3.17010  1.000 47.16007  ? 208 LYS A CD  1 
ATOM   1508 C  CE  . LYS A 1 201 ? -14.74065 -8.98247  -2.33717  1.000 47.83483  ? 208 LYS A CE  1 
ATOM   1509 N  NZ  . LYS A 1 201 ? -15.09392 -9.52672  -0.99590  1.000 63.46714  ? 208 LYS A NZ  1 
ATOM   1510 N  N   . LYS A 1 202 ? -9.23912  -9.63824  -5.09639  1.000 26.15964  ? 209 LYS A N   1 
ATOM   1511 C  CA  . LYS A 1 202 ? -8.16047  -8.96001  -4.38400  1.000 27.01268  ? 209 LYS A CA  1 
ATOM   1512 C  C   . LYS A 1 202 ? -7.34758  -8.06358  -5.31275  1.000 24.59704  ? 209 LYS A C   1 
ATOM   1513 O  O   . LYS A 1 202 ? -6.96445  -6.95081  -4.92704  1.000 28.05862  ? 209 LYS A O   1 
ATOM   1514 C  CB  . LYS A 1 202 ? -7.25637  -9.99891  -3.71668  1.000 28.17882  ? 209 LYS A CB  1 
ATOM   1515 C  CG  . LYS A 1 202 ? -5.88896  -9.48371  -3.27006  1.000 36.36539  ? 209 LYS A CG  1 
ATOM   1516 C  CD  . LYS A 1 202 ? -5.15931  -10.54838 -2.45739  1.000 39.86344  ? 209 LYS A CD  1 
ATOM   1517 C  CE  . LYS A 1 202 ? -4.15762  -9.94064  -1.49599  1.000 55.50552  ? 209 LYS A CE  1 
ATOM   1518 N  NZ  . LYS A 1 202 ? -3.34741  -10.99025 -0.80519  1.000 58.45258  ? 209 LYS A NZ  1 
ATOM   1519 N  N   . HIS A 1 203 ? -7.07438  -8.52971  -6.53807  1.000 27.61742  ? 210 HIS A N   1 
ATOM   1520 C  CA  . HIS A 1 203 ? -6.08808  -7.90990  -7.41556  1.000 31.52230  ? 210 HIS A CA  1 
ATOM   1521 C  C   . HIS A 1 203 ? -6.64368  -7.32785  -8.70757  1.000 30.07229  ? 210 HIS A C   1 
ATOM   1522 O  O   . HIS A 1 203 ? -5.95338  -6.51718  -9.33562  1.000 30.25575  ? 210 HIS A O   1 
ATOM   1523 C  CB  . HIS A 1 203 ? -4.99747  -8.92536  -7.79969  1.000 27.70566  ? 210 HIS A CB  1 
ATOM   1524 C  CG  . HIS A 1 203 ? -4.17306  -9.39791  -6.64543  1.000 32.45984  ? 210 HIS A CG  1 
ATOM   1525 N  ND1 . HIS A 1 203 ? -3.39065  -8.54887  -5.89194  1.000 36.62768  ? 210 HIS A ND1 1 
ATOM   1526 C  CD2 . HIS A 1 203 ? -4.01012  -10.63167 -6.11221  1.000 36.40584  ? 210 HIS A CD2 1 
ATOM   1527 C  CE1 . HIS A 1 203 ? -2.77656  -9.24106  -4.94948  1.000 40.29606  ? 210 HIS A CE1 1 
ATOM   1528 N  NE2 . HIS A 1 203 ? -3.13748  -10.50761 -5.05929  1.000 38.90845  ? 210 HIS A NE2 1 
ATOM   1529 N  N   . SER A 1 204 ? -7.85054  -7.71709  -9.12874  1.000 24.78125  ? 211 SER A N   1 
ATOM   1530 C  CA  . SER A 1 204 ? -8.38293  -7.34758  -10.43589 1.000 26.60498  ? 211 SER A CA  1 
ATOM   1531 C  C   . SER A 1 204 ? -9.81098  -6.81863  -10.33916 1.000 26.62799  ? 211 SER A C   1 
ATOM   1532 O  O   . SER A 1 204 ? -10.56546 -6.90388  -11.31254 1.000 28.53232  ? 211 SER A O   1 
ATOM   1533 C  CB  . SER A 1 204 ? -8.32280  -8.54699  -11.38898 1.000 26.22288  ? 211 SER A CB  1 
ATOM   1534 O  OG  . SER A 1 204 ? -7.00060  -9.06015  -11.45946 1.000 28.34136  ? 211 SER A OG  1 
ATOM   1535 N  N   . GLN A 1 205 ? -10.18652 -6.24864  -9.19152  1.000 28.53761  ? 212 GLN A N   1 
ATOM   1536 C  CA  . GLN A 1 205 ? -11.58186 -5.88926  -8.95880  1.000 34.96956  ? 212 GLN A CA  1 
ATOM   1537 C  C   . GLN A 1 205 ? -12.04820 -4.70282  -9.79973  1.000 35.04945  ? 212 GLN A C   1 
ATOM   1538 O  O   . GLN A 1 205 ? -13.25934 -4.49954  -9.93474  1.000 39.48334  ? 212 GLN A O   1 
ATOM   1539 C  CB  . GLN A 1 205 ? -11.80362 -5.60126  -7.47088  1.000 37.44501  ? 212 GLN A CB  1 
ATOM   1540 C  CG  . GLN A 1 205 ? -11.06597 -4.38300  -6.97222  1.000 43.51754  ? 212 GLN A CG  1 
ATOM   1541 C  CD  . GLN A 1 205 ? -9.77176  -4.73072  -6.25501  1.000 72.46314  ? 212 GLN A CD  1 
ATOM   1542 O  OE1 . GLN A 1 205 ? -8.80315  -5.19680  -6.86777  1.000 46.04482  ? 212 GLN A OE1 1 
ATOM   1543 N  NE2 . GLN A 1 205 ? -9.74476  -4.48945  -4.94793  1.000 47.70642  ? 212 GLN A NE2 1 
ATOM   1544 N  N   . PHE A 1 206 ? -11.13461 -3.92573  -10.38112 1.000 28.00943  ? 213 PHE A N   1 
ATOM   1545 C  CA  . PHE A 1 206 ? -11.51214 -2.74192  -11.14490 1.000 30.97194  ? 213 PHE A CA  1 
ATOM   1546 C  C   . PHE A 1 206 ? -11.20672 -2.84970  -12.63924 1.000 33.46430  ? 213 PHE A C   1 
ATOM   1547 O  O   . PHE A 1 206 ? -11.29939 -1.84081  -13.34608 1.000 39.07961  ? 213 PHE A O   1 
ATOM   1548 C  CB  . PHE A 1 206 ? -10.82810 -1.50993  -10.55669 1.000 33.28725  ? 213 PHE A CB  1 
ATOM   1549 C  CG  . PHE A 1 206 ? -11.14412 -1.28591  -9.10361  1.000 38.85962  ? 213 PHE A CG  1 
ATOM   1550 C  CD1 . PHE A 1 206 ? -12.45762 -1.18143  -8.67372  1.000 41.88870  ? 213 PHE A CD1 1 
ATOM   1551 C  CD2 . PHE A 1 206 ? -10.13236 -1.20921  -8.16678  1.000 41.33828  ? 213 PHE A CD2 1 
ATOM   1552 C  CE1 . PHE A 1 206 ? -12.75223 -0.98116  -7.33729  1.000 51.75331  ? 213 PHE A CE1 1 
ATOM   1553 C  CE2 . PHE A 1 206 ? -10.41729 -1.00570  -6.82849  1.000 46.35888  ? 213 PHE A CE2 1 
ATOM   1554 C  CZ  . PHE A 1 206 ? -11.73024 -0.89585  -6.41421  1.000 45.10276  ? 213 PHE A CZ  1 
ATOM   1555 N  N   . ILE A 1 207 ? -10.86155 -4.04125  -13.14137 1.000 24.78198  ? 214 ILE A N   1 
ATOM   1556 C  CA  . ILE A 1 207 ? -10.64025 -4.21730  -14.57433 1.000 21.74666  ? 214 ILE A CA  1 
ATOM   1557 C  C   . ILE A 1 207 ? -11.91378 -3.85881  -15.33560 1.000 28.31091  ? 214 ILE A C   1 
ATOM   1558 O  O   . ILE A 1 207 ? -13.02456 -4.24011  -14.94342 1.000 27.63355  ? 214 ILE A O   1 
ATOM   1559 C  CB  . ILE A 1 207 ? -10.18852 -5.66117  -14.86166 1.000 23.69975  ? 214 ILE A CB  1 
ATOM   1560 C  CG1 . ILE A 1 207 ? -8.79521  -5.90904  -14.27341 1.000 23.18338  ? 214 ILE A CG1 1 
ATOM   1561 C  CG2 . ILE A 1 207 ? -10.18602 -5.96242  -16.35957 1.000 26.09597  ? 214 ILE A CG2 1 
ATOM   1562 C  CD1 . ILE A 1 207 ? -7.68951  -5.14689  -14.97966 1.000 26.59595  ? 214 ILE A CD1 1 
ATOM   1563 N  N   . GLY A 1 208 ? -11.75776 -3.11641  -16.43202 1.000 25.36155  ? 215 GLY A N   1 
ATOM   1564 C  CA  . GLY A 1 208 ? -12.90029 -2.54433  -17.12076 1.000 24.66422  ? 215 GLY A CA  1 
ATOM   1565 C  C   . GLY A 1 208 ? -13.53931 -3.40801  -18.18911 1.000 26.22067  ? 215 GLY A C   1 
ATOM   1566 O  O   . GLY A 1 208 ? -14.15636 -2.89047  -19.12380 1.000 28.08474  ? 215 GLY A O   1 
ATOM   1567 N  N   . TYR A 1 209 ? -13.40246 -4.72146  -18.06437 1.000 23.86142  ? 216 TYR A N   1 
ATOM   1568 C  CA  . TYR A 1 209 ? -14.00998 -5.66966  -18.98532 1.000 22.52946  ? 216 TYR A CA  1 
ATOM   1569 C  C   . TYR A 1 209 ? -14.59737 -6.80385  -18.14189 1.000 26.09849  ? 216 TYR A C   1 
ATOM   1570 O  O   . TYR A 1 209 ? -14.07586 -7.09680  -17.07107 1.000 25.13992  ? 216 TYR A O   1 
ATOM   1571 C  CB  . TYR A 1 209 ? -12.97570 -6.23333  -19.96813 1.000 22.34754  ? 216 TYR A CB  1 
ATOM   1572 C  CG  . TYR A 1 209 ? -12.37260 -5.16286  -20.82838 1.000 25.15923  ? 216 TYR A CG  1 
ATOM   1573 C  CD1 . TYR A 1 209 ? -12.99715 -4.74833  -21.99279 1.000 22.94681  ? 216 TYR A CD1 1 
ATOM   1574 C  CD2 . TYR A 1 209 ? -11.18124 -4.54772  -20.46365 1.000 24.56812  ? 216 TYR A CD2 1 
ATOM   1575 C  CE1 . TYR A 1 209 ? -12.45162 -3.75772  -22.77745 1.000 25.93084  ? 216 TYR A CE1 1 
ATOM   1576 C  CE2 . TYR A 1 209 ? -10.62761 -3.55166  -21.24034 1.000 21.74871  ? 216 TYR A CE2 1 
ATOM   1577 C  CZ  . TYR A 1 209 ? -11.26797 -3.16248  -22.40128 1.000 23.01232  ? 216 TYR A CZ  1 
ATOM   1578 O  OH  . TYR A 1 209 ? -10.75023 -2.17007  -23.19098 1.000 27.89332  ? 216 TYR A OH  1 
ATOM   1579 N  N   . PRO A 1 210 ? -15.67421 -7.42897  -18.61657 1.000 26.34770  ? 217 PRO A N   1 
ATOM   1580 C  CA  . PRO A 1 210 ? -16.26690 -8.52692  -17.82744 1.000 23.38910  ? 217 PRO A CA  1 
ATOM   1581 C  C   . PRO A 1 210 ? -15.32095 -9.71228  -17.73554 1.000 26.73632  ? 217 PRO A C   1 
ATOM   1582 O  O   . PRO A 1 210 ? -14.78249 -10.18276 -18.74106 1.000 25.42926  ? 217 PRO A O   1 
ATOM   1583 C  CB  . PRO A 1 210 ? -17.54359 -8.87800  -18.60887 1.000 25.36413  ? 217 PRO A CB  1 
ATOM   1584 C  CG  . PRO A 1 210 ? -17.33231 -8.34388  -19.97462 1.000 29.28760  ? 217 PRO A CG  1 
ATOM   1585 C  CD  . PRO A 1 210 ? -16.41498 -7.15367  -19.85138 1.000 26.36446  ? 217 PRO A CD  1 
ATOM   1586 N  N   . ILE A 1 211 ? -15.11075 -10.18817 -16.51018 1.000 25.85178  ? 218 ILE A N   1 
ATOM   1587 C  CA  . ILE A 1 211 ? -14.31071 -11.37991 -16.24647 1.000 20.99073  ? 218 ILE A CA  1 
ATOM   1588 C  C   . ILE A 1 211 ? -15.27507 -12.46730 -15.80384 1.000 23.57250  ? 218 ILE A C   1 
ATOM   1589 O  O   . ILE A 1 211 ? -15.94837 -12.32786 -14.77377 1.000 27.42941  ? 218 ILE A O   1 
ATOM   1590 C  CB  . ILE A 1 211 ? -13.23607 -11.13183 -15.17596 1.000 22.56482  ? 218 ILE A CB  1 
ATOM   1591 C  CG1 . ILE A 1 211 ? -12.24864 -10.04296 -15.62410 1.000 21.50756  ? 218 ILE A CG1 1 
ATOM   1592 C  CG2 . ILE A 1 211 ? -12.49934 -12.43482 -14.85318 1.000 23.74670  ? 218 ILE A CG2 1 
ATOM   1593 C  CD1 . ILE A 1 211 ? -11.36282 -9.53078  -14.47497 1.000 21.69688  ? 218 ILE A CD1 1 
ATOM   1594 N  N   . THR A 1 212 ? -15.35830 -13.53617 -16.58363 1.000 22.53836  ? 219 THR A N   1 
ATOM   1595 C  CA  . THR A 1 212 ? -16.28541 -14.62471 -16.31133 1.000 19.25019  ? 219 THR A CA  1 
ATOM   1596 C  C   . THR A 1 212 ? -15.47739 -15.83390 -15.87794 1.000 22.15057  ? 219 THR A C   1 
ATOM   1597 O  O   . THR A 1 212 ? -14.63643 -16.32117 -16.63781 1.000 21.71156  ? 219 THR A O   1 
ATOM   1598 C  CB  . THR A 1 212 ? -17.12356 -14.96673 -17.54021 1.000 21.96861  ? 219 THR A CB  1 
ATOM   1599 O  OG1 . THR A 1 212 ? -17.89508 -13.82326 -17.93081 1.000 24.64263  ? 219 THR A OG1 1 
ATOM   1600 C  CG2 . THR A 1 212 ? -18.06365 -16.13135 -17.22017 1.000 26.59904  ? 219 THR A CG2 1 
ATOM   1601 N  N   . LEU A 1 213 ? -15.72539 -16.30394 -14.66069 1.000 22.84203  ? 220 LEU A N   1 
ATOM   1602 C  CA  . LEU A 1 213 ? -15.08429 -17.50924 -14.14830 1.000 22.77982  ? 220 LEU A CA  1 
ATOM   1603 C  C   . LEU A 1 213 ? -15.98343 -18.69686 -14.47755 1.000 21.95752  ? 220 LEU A C   1 
ATOM   1604 O  O   . LEU A 1 213 ? -17.08398 -18.82245 -13.92696 1.000 23.78829  ? 220 LEU A O   1 
ATOM   1605 C  CB  . LEU A 1 213 ? -14.83680 -17.39305 -12.64510 1.000 22.81211  ? 220 LEU A CB  1 
ATOM   1606 C  CG  . LEU A 1 213 ? -14.28793 -18.62997 -11.93138 1.000 24.72369  ? 220 LEU A CG  1 
ATOM   1607 C  CD1 . LEU A 1 213 ? -13.03815 -19.16718 -12.60284 1.000 25.19159  ? 220 LEU A CD1 1 
ATOM   1608 C  CD2 . LEU A 1 213 ? -13.99816 -18.28655 -10.46461 1.000 25.60228  ? 220 LEU A CD2 1 
ATOM   1609 N  N   . PHE A 1 214 ? -15.52222 -19.55531 -15.38675 1.000 19.80820  ? 221 PHE A N   1 
ATOM   1610 C  CA  . PHE A 1 214 ? -16.27217 -20.74883 -15.75072 1.000 21.80957  ? 221 PHE A CA  1 
ATOM   1611 C  C   . PHE A 1 214 ? -16.23982 -21.74660 -14.59612 1.000 25.17528  ? 221 PHE A C   1 
ATOM   1612 O  O   . PHE A 1 214 ? -15.27296 -21.81150 -13.83332 1.000 25.04332  ? 221 PHE A O   1 
ATOM   1613 C  CB  . PHE A 1 214 ? -15.67465 -21.41386 -16.99954 1.000 22.50023  ? 221 PHE A CB  1 
ATOM   1614 C  CG  . PHE A 1 214 ? -15.95351 -20.69438 -18.30737 1.000 21.49425  ? 221 PHE A CG  1 
ATOM   1615 C  CD1 . PHE A 1 214 ? -16.05420 -19.31050 -18.36902 1.000 22.29780  ? 221 PHE A CD1 1 
ATOM   1616 C  CD2 . PHE A 1 214 ? -16.07758 -21.41923 -19.48676 1.000 22.28131  ? 221 PHE A CD2 1 
ATOM   1617 C  CE1 . PHE A 1 214 ? -16.29366 -18.66378 -19.58212 1.000 21.43247  ? 221 PHE A CE1 1 
ATOM   1618 C  CE2 . PHE A 1 214 ? -16.31841 -20.77910 -20.70940 1.000 22.30790  ? 221 PHE A CE2 1 
ATOM   1619 C  CZ  . PHE A 1 214 ? -16.42418 -19.39744 -20.74977 1.000 24.51227  ? 221 PHE A CZ  1 
ATOM   1620 N  N   . VAL A 1 215 ? -17.29525 -22.54124 -14.47152 1.000 26.58197  ? 222 VAL A N   1 
ATOM   1621 C  CA  . VAL A 1 215 ? -17.31693 -23.62973 -13.50566 1.000 28.26754  ? 222 VAL A CA  1 
ATOM   1622 C  C   . VAL A 1 215 ? -17.21087 -24.95722 -14.24898 1.000 32.50859  ? 222 VAL A C   1 
ATOM   1623 O  O   . VAL A 1 215 ? -17.30738 -25.02346 -15.47403 1.000 29.11235  ? 222 VAL A O   1 
ATOM   1624 C  CB  . VAL A 1 215 ? -18.56261 -23.58798 -12.60254 1.000 40.56518  ? 222 VAL A CB  1 
ATOM   1625 C  CG1 . VAL A 1 215 ? -18.41940 -22.47936 -11.56075 1.000 40.14993  ? 222 VAL A CG1 1 
ATOM   1626 C  CG2 . VAL A 1 215 ? -19.79985 -23.37634 -13.42974 1.000 33.37365  ? 222 VAL A CG2 1 
ATOM   1627 N  N   . GLU A 1 216 ? -17.00405 -26.02642 -13.48912 1.000 30.85088  ? 223 GLU A N   1 
ATOM   1628 C  CA  . GLU A 1 216 ? -16.82614 -27.35171 -14.05910 1.000 33.67720  ? 223 GLU A CA  1 
ATOM   1629 C  C   . GLU A 1 216 ? -17.93036 -28.28617 -13.59423 1.000 37.06637  ? 223 GLU A C   1 
ATOM   1630 O  O   . GLU A 1 216 ? -18.52393 -28.08656 -12.53175 1.000 44.26550  ? 223 GLU A O   1 
ATOM   1631 C  CB  . GLU A 1 216 ? -15.46635 -27.94340 -13.68013 1.000 37.01054  ? 223 GLU A CB  1 
ATOM   1632 C  CG  . GLU A 1 216 ? -14.28795 -27.10190 -14.13525 1.000 29.57007  ? 223 GLU A CG  1 
ATOM   1633 C  CD  . GLU A 1 216 ? -12.97156 -27.61225 -13.58231 1.000 41.86059  ? 223 GLU A CD  1 
ATOM   1634 O  OE1 . GLU A 1 216 ? -12.50074 -28.66681 -14.05960 1.000 36.97006  ? 223 GLU A OE1 1 
ATOM   1635 O  OE2 . GLU A 1 216 ? -12.40821 -26.95739 -12.67845 1.000 45.86622  ? 223 GLU A OE2 1 
ATOM   1636 N  N   . LYS A 1 217 ? -18.19368 -29.30879 -14.40765 1.000 42.13051  ? 224 LYS A N   1 
ATOM   1637 C  CA  . LYS A 1 217 ? -19.13277 -30.37678 -14.06716 1.000 48.94877  ? 224 LYS A CA  1 
ATOM   1638 C  C   . LYS A 1 217 ? -18.85297 -30.97939 -12.68914 1.000 65.07560  ? 224 LYS A C   1 
ATOM   1639 O  O   . LYS A 1 217 ? -17.70836 -31.28432 -12.35321 1.000 54.54733  ? 224 LYS A O   1 
ATOM   1640 C  CB  . LYS A 1 217 ? -19.08730 -31.48234 -15.12917 1.000 53.41379  ? 224 LYS A CB  1 
ATOM   1641 C  CG  . LYS A 1 217 ? -20.14650 -32.56489 -14.95658 1.000 71.10611  ? 224 LYS A CG  1 
ATOM   1642 C  CD  . LYS A 1 217 ? -20.39009 -33.34463 -16.25025 1.000 77.33258  ? 224 LYS A CD  1 
ATOM   1643 C  CE  . LYS A 1 217 ? -19.32655 -34.41543 -16.47611 1.000 92.77226  ? 224 LYS A CE  1 
ATOM   1644 N  NZ  . LYS A 1 217 ? -18.09389 -33.88238 -17.12665 1.000 88.92573  ? 224 LYS A NZ  1 
HETATM 1645 C  C1  . 9TW B 2 .   ? 12.78003  -13.36024 -7.94544  1.000 89.68192  ? 301 9TW A C1  1 
HETATM 1646 C  C2  . 9TW B 2 .   ? 11.67957  -13.28358 -8.78126  1.000 82.80121  ? 301 9TW A C2  1 
HETATM 1647 C  C3  . 9TW B 2 .   ? 11.58713  -12.25646 -9.69540  1.000 88.59921  ? 301 9TW A C3  1 
HETATM 1648 C  C4  . 9TW B 2 .   ? 12.55962  -11.30849 -9.80352  1.000 87.95479  ? 301 9TW A C4  1 
HETATM 1649 C  C5  . 9TW B 2 .   ? 13.67004  -11.38554 -8.97017  1.000 84.14364  ? 301 9TW A C5  1 
HETATM 1650 C  C6  . 9TW B 2 .   ? 13.78605  -12.40361 -8.03365  1.000 90.78172  ? 301 9TW A C6  1 
HETATM 1651 CL CL1 . 9TW B 2 .   ? 10.41818  -14.45792 -8.67728  1.000 67.51874  ? 301 9TW A CL1 1 
HETATM 1652 F  F1  . 9TW B 2 .   ? 10.49983  -12.18639 -10.50358 0.534 54.44548  ? 301 9TW A F1  1 
HETATM 1653 C  C7  . 9TW B 2 .   ? 15.01450  -12.46731 -7.16969  1.000 72.21956  ? 301 9TW A C7  1 
HETATM 1654 O  O1  . 9TW B 2 .   ? 14.98905  -13.10268 -6.10564  0.282 73.50697  ? 301 9TW A O1  1 
HETATM 1655 N  N1  . 9TW B 2 .   ? 16.10513  -11.84220 -7.59688  1.000 61.69591  ? 301 9TW A N1  1 
HETATM 1656 O  O   . HOH C 3 .   ? -16.87346 -20.16510 -4.58266  1.000 54.02836  ? 401 HOH A O   1 
HETATM 1657 O  O   . HOH C 3 .   ? 14.06144  -5.37401  -4.27954  1.000 52.68019  ? 402 HOH A O   1 
HETATM 1658 O  O   . HOH C 3 .   ? -6.93185  -16.92549 -41.20728 1.000 49.94102  ? 403 HOH A O   1 
HETATM 1659 O  O   . HOH C 3 .   ? 11.58530  -21.54799 -40.58351 1.000 52.46963  ? 404 HOH A O   1 
HETATM 1660 O  O   . HOH C 3 .   ? 18.48469  -6.92539  -9.81331  1.000 47.65597  ? 405 HOH A O   1 
HETATM 1661 O  O   . HOH C 3 .   ? 22.23055  -7.56220  -22.58407 1.000 68.10710  ? 406 HOH A O   1 
HETATM 1662 O  O   . HOH C 3 .   ? 10.41690  -8.94105  -3.97888  1.000 54.15977  ? 407 HOH A O   1 
HETATM 1663 O  O   . HOH C 3 .   ? -20.46779 -20.61779 -9.16450  1.000 54.25068  ? 408 HOH A O   1 
HETATM 1664 O  O   . HOH C 3 .   ? -2.80217  -3.20718  -35.53086 1.000 48.96245  ? 409 HOH A O   1 
HETATM 1665 O  O   . HOH C 3 .   ? -1.62317  -28.99849 -5.83270  1.000 37.03740  ? 410 HOH A O   1 
HETATM 1666 O  O   . HOH C 3 .   ? 3.26026   -24.30321 -38.61323 1.000 41.65061  ? 411 HOH A O   1 
HETATM 1667 O  O   . HOH C 3 .   ? -16.17748 -25.43525 -17.73927 1.000 29.93538  ? 412 HOH A O   1 
HETATM 1668 O  O   . HOH C 3 .   ? -0.35153  -5.36844  -18.38195 1.000 30.77099  ? 413 HOH A O   1 
HETATM 1669 O  O   . HOH C 3 .   ? 9.42185   -24.06459 -9.80446  1.000 52.01983  ? 414 HOH A O   1 
HETATM 1670 O  O   . HOH C 3 .   ? 1.93901   -15.67734 -41.14412 1.000 46.95023  ? 415 HOH A O   1 
HETATM 1671 O  O   . HOH C 3 .   ? -8.79368  -11.86990 -36.35801 1.000 32.99700  ? 416 HOH A O   1 
HETATM 1672 O  O   . HOH C 3 .   ? 1.02397   -6.24383  -34.06512 1.000 47.82059  ? 417 HOH A O   1 
HETATM 1673 O  O   . HOH C 3 .   ? 3.43442   -7.83013  -36.63900 1.000 46.06688  ? 418 HOH A O   1 
HETATM 1674 O  O   . HOH C 3 .   ? -13.05218 -7.22133  -11.98180 1.000 33.97506  ? 419 HOH A O   1 
HETATM 1675 O  O   . HOH C 3 .   ? 0.12683   -28.36533 -25.76768 1.000 56.65777  ? 420 HOH A O   1 
HETATM 1676 O  O   . HOH C 3 .   ? -0.19773  -5.70478  -38.64304 1.000 49.76310  ? 421 HOH A O   1 
HETATM 1677 O  O   . HOH C 3 .   ? -5.35670  -10.42357 -27.32002 1.000 22.70615  ? 422 HOH A O   1 
HETATM 1678 O  O   . HOH C 3 .   ? 7.77646   -23.24216 -14.31535 1.000 35.21355  ? 423 HOH A O   1 
HETATM 1679 O  O   . HOH C 3 .   ? 20.47074  -10.95409 -25.99466 1.000 44.84154  ? 424 HOH A O   1 
HETATM 1680 O  O   . HOH C 3 .   ? -3.28452  -12.09977 -8.96950  1.000 38.57248  ? 425 HOH A O   1 
HETATM 1681 O  O   . HOH C 3 .   ? -18.02951 -3.90343  -28.91719 1.000 47.09130  ? 426 HOH A O   1 
HETATM 1682 O  O   . HOH C 3 .   ? -14.12612 -11.52281 0.39920   1.000 50.16631  ? 427 HOH A O   1 
HETATM 1683 O  O   . HOH C 3 .   ? -5.72903  -2.07877  -19.42044 1.000 28.41072  ? 428 HOH A O   1 
HETATM 1684 O  O   . HOH C 3 .   ? 5.87999   -25.59029 -7.15417  1.000 47.98018  ? 429 HOH A O   1 
HETATM 1685 O  O   . HOH C 3 .   ? -2.88340  -6.00850  -6.35920  1.000 42.17662  ? 430 HOH A O   1 
HETATM 1686 O  O   . HOH C 3 .   ? -16.34425 -12.65138 -19.71292 1.000 26.14317  ? 431 HOH A O   1 
HETATM 1687 O  O   . HOH C 3 .   ? 7.77549   -18.97073 -6.55073  1.000 26.80962  ? 432 HOH A O   1 
HETATM 1688 O  O   . HOH C 3 .   ? 6.51363   -26.60254 -27.56367 1.000 36.75348  ? 433 HOH A O   1 
HETATM 1689 O  O   . HOH C 3 .   ? -10.71455 -14.63278 1.00065   1.000 32.22463  ? 434 HOH A O   1 
HETATM 1690 O  O   . HOH C 3 .   ? 0.47970   -14.65467 -1.41431  1.000 45.08986  ? 435 HOH A O   1 
HETATM 1691 O  O   . HOH C 3 .   ? 18.67035  -19.73430 -11.92853 1.000 52.91414  ? 436 HOH A O   1 
HETATM 1692 O  O   . HOH C 3 .   ? -20.53860 -13.98700 -18.05037 1.000 39.92476  ? 437 HOH A O   1 
HETATM 1693 O  O   . HOH C 3 .   ? 9.64816   -14.66575 -25.21343 1.000 25.62726  ? 438 HOH A O   1 
HETATM 1694 O  O   . HOH C 3 .   ? -13.02240 -24.85978 -10.78406 1.000 39.29275  ? 439 HOH A O   1 
HETATM 1695 O  O   . HOH C 3 .   ? -8.09587  1.80159   -36.56236 1.000 43.22139  ? 440 HOH A O   1 
HETATM 1696 O  O   . HOH C 3 .   ? -4.08764  -4.28169  -37.25343 1.000 49.64083  ? 441 HOH A O   1 
HETATM 1697 O  O   . HOH C 3 .   ? 9.06214   -26.34089 -17.06849 1.000 33.55382  ? 442 HOH A O   1 
HETATM 1698 O  O   . HOH C 3 .   ? -4.09843  -4.95890  -8.23272  1.000 51.09377  ? 443 HOH A O   1 
HETATM 1699 O  O   . HOH C 3 .   ? 0.55581   -5.40867  -14.08932 1.000 46.66623  ? 444 HOH A O   1 
HETATM 1700 O  O   . HOH C 3 .   ? 3.13889   -6.05158  -11.22311 1.000 29.71454  ? 445 HOH A O   1 
HETATM 1701 O  O   . HOH C 3 .   ? 18.13303  -7.19571  -20.34301 1.000 38.63942  ? 446 HOH A O   1 
HETATM 1702 O  O   . HOH C 3 .   ? 2.85624   -20.28611 -2.80717  1.000 38.14422  ? 447 HOH A O   1 
HETATM 1703 O  O   . HOH C 3 .   ? -14.57190 -7.00247  -14.44349 1.000 40.75087  ? 448 HOH A O   1 
HETATM 1704 O  O   . HOH C 3 .   ? 0.82106   -20.93636 -4.58686  1.000 30.92597  ? 449 HOH A O   1 
HETATM 1705 O  O   . HOH C 3 .   ? 11.15513  -28.29379 -30.45286 1.000 34.69568  ? 450 HOH A O   1 
HETATM 1706 O  O   . HOH C 3 .   ? -7.34341  -27.98964 -21.11489 1.000 47.06551  ? 451 HOH A O   1 
HETATM 1707 O  O   . HOH C 3 .   ? 13.50805  -14.14506 -26.76911 1.000 27.07501  ? 452 HOH A O   1 
HETATM 1708 O  O   . HOH C 3 .   ? 5.87728   -21.82106 -37.19848 1.000 35.85662  ? 453 HOH A O   1 
HETATM 1709 O  O   . HOH C 3 .   ? 16.15231  1.59513   -15.08291 1.000 44.30840  ? 454 HOH A O   1 
HETATM 1710 O  O   . HOH C 3 .   ? 6.53668   -29.65956 -20.26515 1.000 44.22476  ? 455 HOH A O   1 
HETATM 1711 O  O   . HOH C 3 .   ? -6.35355  -5.02957  -35.62648 1.000 28.24991  ? 456 HOH A O   1 
HETATM 1712 O  O   . HOH C 3 .   ? 7.56808   -27.83163 -24.03398 1.000 37.75101  ? 457 HOH A O   1 
HETATM 1713 O  O   . HOH C 3 .   ? -7.18980  -5.50232  -2.66934  1.000 53.57769  ? 458 HOH A O   1 
HETATM 1714 O  O   . HOH C 3 .   ? -2.34456  -13.70297 -35.63036 1.000 24.78232  ? 459 HOH A O   1 
HETATM 1715 O  O   . HOH C 3 .   ? -7.74128  -28.15435 -7.80322  1.000 37.24405  ? 460 HOH A O   1 
HETATM 1716 O  O   . HOH C 3 .   ? 17.91596  -19.29746 -24.70889 1.000 34.38365  ? 461 HOH A O   1 
HETATM 1717 O  O   . HOH C 3 .   ? -9.21720  -2.24931  -17.49813 1.000 25.75312  ? 462 HOH A O   1 
HETATM 1718 O  O   . HOH C 3 .   ? -15.27659 -10.94976 -29.67017 1.000 31.79535  ? 463 HOH A O   1 
HETATM 1719 O  O   . HOH C 3 .   ? -8.41751  4.72554   -33.65775 1.000 33.89783  ? 464 HOH A O   1 
HETATM 1720 O  O   . HOH C 3 .   ? -2.55461  -10.66096 -26.54578 1.000 38.21165  ? 465 HOH A O   1 
HETATM 1721 O  O   . HOH C 3 .   ? 7.58572   1.38023   -14.98150 1.000 38.14117  ? 466 HOH A O   1 
HETATM 1722 O  O   . HOH C 3 .   ? 11.09782  -8.18738  -27.57239 1.000 28.95374  ? 467 HOH A O   1 
HETATM 1723 O  O   . HOH C 3 .   ? -15.82300 0.30529   -30.39646 1.000 47.21963  ? 468 HOH A O   1 
HETATM 1724 O  O   . HOH C 3 .   ? 19.38252  0.19009   -9.89159  1.000 50.61233  ? 469 HOH A O   1 
HETATM 1725 O  O   . HOH C 3 .   ? -0.74972  -11.14106 -3.07521  1.000 43.03718  ? 470 HOH A O   1 
HETATM 1726 O  O   . HOH C 3 .   ? 5.94391   -21.13276 -0.18720  1.000 30.69059  ? 471 HOH A O   1 
HETATM 1727 O  O   . HOH C 3 .   ? 11.45887  -27.33251 -34.66512 1.000 31.57693  ? 472 HOH A O   1 
HETATM 1728 O  O   . HOH C 3 .   ? -19.46441 -9.98177  -32.95230 1.000 45.22884  ? 473 HOH A O   1 
HETATM 1729 O  O   . HOH C 3 .   ? -5.39292  -7.57577  -13.10588 1.000 24.69970  ? 474 HOH A O   1 
HETATM 1730 O  O   . HOH C 3 .   ? 1.43545   -7.77500  -16.66327 1.000 27.19225  ? 475 HOH A O   1 
HETATM 1731 O  O   . HOH C 3 .   ? -7.77359  -24.30908 -22.91871 1.000 34.76218  ? 476 HOH A O   1 
HETATM 1732 O  O   . HOH C 3 .   ? -18.85141 -10.80769 -23.58195 1.000 34.27128  ? 477 HOH A O   1 
HETATM 1733 O  O   . HOH C 3 .   ? -5.86764  -31.14627 -11.59916 1.000 36.47431  ? 478 HOH A O   1 
HETATM 1734 O  O   . HOH C 3 .   ? -1.19428  -7.30650  -23.64189 1.000 29.80173  ? 479 HOH A O   1 
HETATM 1735 O  O   . HOH C 3 .   ? -8.25427  -24.77363 -19.03555 1.000 23.07595  ? 480 HOH A O   1 
HETATM 1736 O  O   . HOH C 3 .   ? 9.45259   -10.97915 -34.88733 1.000 44.71936  ? 481 HOH A O   1 
HETATM 1737 O  O   . HOH C 3 .   ? 15.43495  -20.19650 -18.78160 1.000 29.25719  ? 482 HOH A O   1 
HETATM 1738 O  O   . HOH C 3 .   ? 9.74400   -17.54441 -7.73482  1.000 26.56930  ? 483 HOH A O   1 
HETATM 1739 O  O   . HOH C 3 .   ? 13.79014  -11.31306 -29.55316 1.000 43.82921  ? 484 HOH A O   1 
HETATM 1740 O  O   . HOH C 3 .   ? -1.53921  -6.28736  -26.16343 1.000 30.57189  ? 485 HOH A O   1 
HETATM 1741 O  O   . HOH C 3 .   ? -6.44973  -7.73452  -34.40165 1.000 25.70366  ? 486 HOH A O   1 
HETATM 1742 O  O   . HOH C 3 .   ? -13.50858 -26.34716 -17.89020 1.000 32.67433  ? 487 HOH A O   1 
HETATM 1743 O  O   . HOH C 3 .   ? -13.24628 -0.63002  -20.61324 1.000 37.22096  ? 488 HOH A O   1 
HETATM 1744 O  O   . HOH C 3 .   ? 10.50748  -25.32648 -23.64536 1.000 28.02094  ? 489 HOH A O   1 
HETATM 1745 O  O   . HOH C 3 .   ? -14.62012 -22.58034 -11.26529 1.000 35.29252  ? 490 HOH A O   1 
HETATM 1746 O  O   . HOH C 3 .   ? -6.57895  -5.17430  -38.93194 1.000 49.48345  ? 491 HOH A O   1 
HETATM 1747 O  O   . HOH C 3 .   ? -17.03769 -5.23056  -22.80427 1.000 31.44961  ? 492 HOH A O   1 
HETATM 1748 O  O   . HOH C 3 .   ? 0.69427   -26.93257 -37.28793 1.000 50.05442  ? 493 HOH A O   1 
HETATM 1749 O  O   . HOH C 3 .   ? -6.22971  -14.01216 0.90735   1.000 37.48218  ? 494 HOH A O   1 
HETATM 1750 O  O   . HOH C 3 .   ? -3.56743  -10.84612 -23.99638 1.000 32.38116  ? 495 HOH A O   1 
HETATM 1751 O  O   . HOH C 3 .   ? -11.95905 -7.55598  -38.37620 1.000 42.57312  ? 496 HOH A O   1 
HETATM 1752 O  O   . HOH C 3 .   ? -19.80763 -19.32003 -14.12634 1.000 26.59755  ? 497 HOH A O   1 
HETATM 1753 O  O   . HOH C 3 .   ? 19.710    -16.636   -27.395   1.000 49.38782  ? 498 HOH A O   1 
HETATM 1754 O  O   . HOH C 3 .   ? 8.72234   -15.45351 -27.78584 1.000 23.32654  ? 499 HOH A O   1 
HETATM 1755 O  O   . HOH C 3 .   ? 15.75918  -0.84035  -19.89103 1.000 38.59435  ? 500 HOH A O   1 
HETATM 1756 O  O   . HOH C 3 .   ? -10.30109 -11.55895 -2.01370  1.000 26.63687  ? 501 HOH A O   1 
HETATM 1757 O  O   . HOH C 3 .   ? -4.06983  0.30270   -22.17253 1.000 41.23615  ? 502 HOH A O   1 
HETATM 1758 O  O   . HOH C 3 .   ? -2.12762  -0.28011  -19.08595 1.000 53.82792  ? 503 HOH A O   1 
HETATM 1759 O  O   . HOH C 3 .   ? 7.79571   -23.37241 -7.27316  1.000 42.49738  ? 504 HOH A O   1 
HETATM 1760 O  O   . HOH C 3 .   ? -15.68663 6.53839   -32.56949 1.000 49.10721  ? 505 HOH A O   1 
HETATM 1761 O  O   . HOH C 3 .   ? -4.70217  0.45584   -30.54886 1.000 35.24310  ? 506 HOH A O   1 
HETATM 1762 O  O   . HOH C 3 .   ? -6.17542  -11.28337 -9.99546  1.000 30.91429  ? 507 HOH A O   1 
HETATM 1763 O  O   . HOH C 3 .   ? 12.92632  -13.87112 -29.74280 1.000 34.41525  ? 508 HOH A O   1 
HETATM 1764 O  O   . HOH C 3 .   ? -11.09542 -14.14030 -37.76608 1.000 43.14863  ? 509 HOH A O   1 
HETATM 1765 O  O   . HOH C 3 .   ? 0.70871   -29.67771 -15.99890 1.000 42.04603  ? 510 HOH A O   1 
HETATM 1766 O  O   . HOH C 3 .   ? 21.60031  -2.99756  -15.49517 1.000 57.62918  ? 511 HOH A O   1 
HETATM 1767 O  O   . HOH C 3 .   ? 14.25240  -15.97866 -30.70823 1.000 38.55861  ? 512 HOH A O   1 
HETATM 1768 O  O   . HOH C 3 .   ? 4.03715   -24.10178 -30.65128 1.000 25.55289  ? 513 HOH A O   1 
HETATM 1769 O  O   . HOH C 3 .   ? -12.26381 -27.82653 -29.86815 1.000 40.81302  ? 514 HOH A O   1 
HETATM 1770 O  O   . HOH C 3 .   ? 21.798    -13.135   -19.383   1.000 57.95743  ? 515 HOH A O   1 
HETATM 1771 O  O   . HOH C 3 .   ? -14.11412 -12.49919 -7.73648  1.000 29.88412  ? 516 HOH A O   1 
HETATM 1772 O  O   . HOH C 3 .   ? -1.84788  -25.55966 -4.67233  1.000 29.37189  ? 517 HOH A O   1 
HETATM 1773 O  O   . HOH C 3 .   ? -13.73920 -16.91301 -2.60848  1.000 30.43225  ? 518 HOH A O   1 
HETATM 1774 O  O   . HOH C 3 .   ? -5.20758  -14.21170 -22.58368 1.000 22.55971  ? 519 HOH A O   1 
HETATM 1775 O  O   . HOH C 3 .   ? -2.51327  -15.41134 -0.29695  1.000 47.81749  ? 520 HOH A O   1 
HETATM 1776 O  O   . HOH C 3 .   ? 0.44576   -22.28797 -1.95679  1.000 48.92959  ? 521 HOH A O   1 
HETATM 1777 O  O   . HOH C 3 .   ? 8.38276   -16.24413 -39.57663 1.000 41.32881  ? 522 HOH A O   1 
HETATM 1778 O  O   . HOH C 3 .   ? 16.91203  0.62920   -17.88598 1.000 45.22086  ? 523 HOH A O   1 
HETATM 1779 O  O   . HOH C 3 .   ? 18.26352  -10.95279 -17.43029 1.000 44.61656  ? 524 HOH A O   1 
HETATM 1780 O  O   . HOH C 3 .   ? 3.58734   -6.78382  -17.96131 1.000 27.85887  ? 525 HOH A O   1 
HETATM 1781 O  O   . HOH C 3 .   ? 10.64406  -25.63144 -26.68732 1.000 34.10653  ? 526 HOH A O   1 
HETATM 1782 O  O   . HOH C 3 .   ? -3.11870  -1.11576  -24.12177 1.000 33.83699  ? 527 HOH A O   1 
HETATM 1783 O  O   . HOH C 3 .   ? 3.99174   -9.21655  -20.20566 1.000 25.95825  ? 528 HOH A O   1 
HETATM 1784 O  O   . HOH C 3 .   ? 4.15448   -19.52383 -40.67068 1.000 42.62352  ? 529 HOH A O   1 
HETATM 1785 O  O   . HOH C 3 .   ? -16.13009 -3.02045  -21.17030 1.000 36.05793  ? 530 HOH A O   1 
HETATM 1786 O  O   . HOH C 3 .   ? -10.28112 -14.92220 -28.27863 1.000 33.95099  ? 531 HOH A O   1 
HETATM 1787 O  O   . HOH C 3 .   ? -3.32529  -20.95437 -0.48631  1.000 39.99519  ? 532 HOH A O   1 
HETATM 1788 O  O   . HOH C 3 .   ? 12.32847  -27.27926 -19.22873 1.000 50.59968  ? 533 HOH A O   1 
HETATM 1789 O  O   . HOH C 3 .   ? -14.62862 -4.43057  -12.59379 1.000 42.60121  ? 534 HOH A O   1 
HETATM 1790 O  O   . HOH C 3 .   ? -17.76284 -18.60830 -11.14626 1.000 40.43401  ? 535 HOH A O   1 
HETATM 1791 O  O   . HOH C 3 .   ? -1.80455  -32.58835 -7.74377  1.000 56.10698  ? 536 HOH A O   1 
HETATM 1792 O  O   . HOH C 3 .   ? 2.01089   -6.01415  -26.03469 1.000 43.06732  ? 537 HOH A O   1 
HETATM 1793 O  O   . HOH C 3 .   ? 10.51435  -21.54392 -6.99302  1.000 45.81334  ? 538 HOH A O   1 
HETATM 1794 O  O   . HOH C 3 .   ? -9.03005  -17.87836 -36.46446 1.000 46.47196  ? 539 HOH A O   1 
HETATM 1795 O  O   . HOH C 3 .   ? 13.60932  -20.43679 -20.75181 1.000 24.30143  ? 540 HOH A O   1 
HETATM 1796 O  O   . HOH C 3 .   ? 8.75155   -20.47228 -4.34501  1.000 30.85710  ? 541 HOH A O   1 
HETATM 1797 O  O   . HOH C 3 .   ? -1.05825  -27.37641 -35.11350 1.000 57.36972  ? 542 HOH A O   1 
HETATM 1798 O  O   . HOH C 3 .   ? -12.25105 -26.87836 -20.26632 1.000 33.16919  ? 543 HOH A O   1 
HETATM 1799 O  O   . HOH C 3 .   ? 8.36086   -20.66840 -9.34838  1.000 35.81410  ? 544 HOH A O   1 
HETATM 1800 O  O   . HOH C 3 .   ? 3.62908   -11.89015 -38.62864 1.000 30.88711  ? 545 HOH A O   1 
HETATM 1801 O  O   . HOH C 3 .   ? -1.29376  -29.79344 -17.14825 1.000 46.12774  ? 546 HOH A O   1 
HETATM 1802 O  O   . HOH C 3 .   ? 7.40855   1.90300   -12.49241 1.000 38.08485  ? 547 HOH A O   1 
HETATM 1803 O  O   . HOH C 3 .   ? -17.304   -28.748   -17.139   1.000 51.60372  ? 548 HOH A O   1 
HETATM 1804 O  O   . HOH C 3 .   ? -9.14368  -10.47556 -40.32560 1.000 45.75332  ? 549 HOH A O   1 
HETATM 1805 O  O   . HOH C 3 .   ? -8.21875  -3.89399  -10.68854 1.000 31.51277  ? 550 HOH A O   1 
HETATM 1806 O  O   . HOH C 3 .   ? -0.29544  -7.01554  -31.01806 1.000 44.37827  ? 551 HOH A O   1 
HETATM 1807 O  O   . HOH C 3 .   ? -6.09154  -18.62992 -39.11419 1.000 42.22382  ? 552 HOH A O   1 
HETATM 1808 O  O   . HOH C 3 .   ? -1.31154  -4.49284  -33.73650 1.000 49.69735  ? 553 HOH A O   1 
HETATM 1809 O  O   . HOH C 3 .   ? -17.78642 -15.04467 -12.98277 1.000 30.29692  ? 554 HOH A O   1 
HETATM 1810 O  O   . HOH C 3 .   ? 17.37120  -15.43666 -29.62891 1.000 52.61185  ? 555 HOH A O   1 
HETATM 1811 O  O   . HOH C 3 .   ? -3.51091  -13.13230 -20.63465 1.000 29.07351  ? 556 HOH A O   1 
HETATM 1812 O  O   . HOH C 3 .   ? -13.56048 -25.67889 -7.75126  1.000 36.26084  ? 557 HOH A O   1 
HETATM 1813 O  O   . HOH C 3 .   ? 15.33932  -7.26407  -28.02425 1.000 40.42820  ? 558 HOH A O   1 
HETATM 1814 O  O   . HOH C 3 .   ? -15.90767 -4.01836  -15.54700 1.000 45.03408  ? 559 HOH A O   1 
HETATM 1815 O  O   . HOH C 3 .   ? -16.12838 -25.36686 -10.74134 1.000 42.27160  ? 560 HOH A O   1 
HETATM 1816 O  O   . HOH C 3 .   ? 4.87709   -30.44209 -11.57250 1.000 43.90078  ? 561 HOH A O   1 
HETATM 1817 O  O   . HOH C 3 .   ? -7.24429  1.20881   -19.24192 1.000 44.24039  ? 562 HOH A O   1 
HETATM 1818 O  O   . HOH C 3 .   ? 20.82309  -14.11647 -26.64233 1.000 38.79756  ? 563 HOH A O   1 
HETATM 1819 O  O   . HOH C 3 .   ? 16.932    -24.863   -25.255   1.000 41.34058  ? 564 HOH A O   1 
HETATM 1820 O  O   . HOH C 3 .   ? -14.29772 -16.07060 -25.98358 1.000 31.25969  ? 565 HOH A O   1 
HETATM 1821 O  O   . HOH C 3 .   ? 15.76476  -18.56780 -3.53085  1.000 36.24980  ? 566 HOH A O   1 
HETATM 1822 O  O   . HOH C 3 .   ? -5.26464  -5.16859  -11.90052 1.000 46.65190  ? 567 HOH A O   1 
HETATM 1823 O  O   . HOH C 3 .   ? -14.06713 -0.71420  -13.51688 1.000 32.09489  ? 568 HOH A O   1 
HETATM 1824 O  O   . HOH C 3 .   ? 1.14847   -8.65219  -27.01685 1.000 37.65979  ? 569 HOH A O   1 
HETATM 1825 O  O   . HOH C 3 .   ? 13.60138  -4.06174  -25.64630 1.000 23.37317  ? 570 HOH A O   1 
HETATM 1826 O  O   . HOH C 3 .   ? -15.21124 -11.90444 -11.89414 1.000 40.24536  ? 571 HOH A O   1 
HETATM 1827 O  O   . HOH C 3 .   ? -5.41540  -31.51362 -6.74001  1.000 53.62834  ? 572 HOH A O   1 
HETATM 1828 O  O   . HOH C 3 .   ? 13.17819  -6.85549  -26.34761 1.000 28.53107  ? 573 HOH A O   1 
HETATM 1829 O  O   . HOH C 3 .   ? -16.52488 -8.95225  -14.15570 1.000 40.25149  ? 574 HOH A O   1 
HETATM 1830 O  O   . HOH C 3 .   ? 0.78660   -4.54347  -16.38974 1.000 50.98636  ? 575 HOH A O   1 
HETATM 1831 O  O   . HOH C 3 .   ? -4.30233  -13.95160 -0.70162  1.000 47.62197  ? 576 HOH A O   1 
HETATM 1832 O  O   . HOH C 3 .   ? 0.11072   -16.72564 -3.45655  1.000 31.00555  ? 577 HOH A O   1 
HETATM 1833 O  O   . HOH C 3 .   ? -18.04900 -5.58834  -25.43908 1.000 43.44085  ? 578 HOH A O   1 
HETATM 1834 O  O   . HOH C 3 .   ? -13.16571 -12.15941 -30.98801 1.000 29.80933  ? 579 HOH A O   1 
HETATM 1835 O  O   . HOH C 3 .   ? 0.55442   -5.63678  -21.97854 1.000 42.91673  ? 580 HOH A O   1 
HETATM 1836 O  O   . HOH C 3 .   ? -13.82432 -18.51111 -24.35541 1.000 26.65722  ? 581 HOH A O   1 
HETATM 1837 O  O   . HOH C 3 .   ? -9.524    -30.778   -23.608   1.000 52.34928  ? 582 HOH A O   1 
HETATM 1838 O  O   . HOH C 3 .   ? -14.13252 -23.90951 -4.77201  1.000 32.68248  ? 583 HOH A O   1 
HETATM 1839 O  O   . HOH C 3 .   ? 2.90296   -3.74395  -9.12528  1.000 55.22797  ? 584 HOH A O   1 
HETATM 1840 O  O   . HOH C 3 .   ? 8.370     -8.291    0.269     1.000 56.95872  ? 585 HOH A O   1 
HETATM 1841 O  O   . HOH C 3 .   ? -1.51157  -8.63591  -27.74435 1.000 35.01338  ? 586 HOH A O   1 
HETATM 1842 O  O   . HOH C 3 .   ? 3.93894   -22.86910 -3.37857  1.000 42.25364  ? 587 HOH A O   1 
HETATM 1843 O  O   . HOH C 3 .   ? 1.20699   -3.07888  -24.06826 1.000 49.23113  ? 588 HOH A O   1 
HETATM 1844 O  O   . HOH C 3 .   ? 1.26077   -8.60071  -4.29588  1.000 34.78685  ? 589 HOH A O   1 
HETATM 1845 O  O   . HOH C 3 .   ? -11.11266 -22.71074 -24.65457 1.000 54.68117  ? 590 HOH A O   1 
HETATM 1846 O  O   . HOH C 3 .   ? 8.52476   -19.86640 -41.71082 1.000 55.12595  ? 591 HOH A O   1 
HETATM 1847 O  O   . HOH C 3 .   ? 5.39724   1.46521   -16.78353 1.000 45.63227  ? 592 HOH A O   1 
HETATM 1848 O  O   . HOH C 3 .   ? 1.825     -18.312   0.040     1.000 40.46221  ? 593 HOH A O   1 
HETATM 1849 O  O   . HOH C 3 .   ? 1.93565   -25.80611 -29.24936 1.000 40.78710  ? 594 HOH A O   1 
HETATM 1850 O  O   . HOH C 3 .   ? -3.95105  -33.04577 -10.99124 1.000 51.68871  ? 595 HOH A O   1 
HETATM 1851 O  O   . HOH C 3 .   ? 4.520     -1.828    -18.274   1.000 46.90835  ? 596 HOH A O   1 
HETATM 1852 O  O   . HOH C 3 .   ? 8.05700   -25.88013 -25.89943 1.000 39.85160  ? 597 HOH A O   1 
HETATM 1853 O  O   . HOH C 3 .   ? 10.47128  -17.53124 -38.80169 1.000 57.42821  ? 598 HOH A O   1 
HETATM 1854 O  O   . HOH C 3 .   ? 14.38812  -22.28490 -17.21465 1.000 37.18011  ? 599 HOH A O   1 
HETATM 1855 O  O   . HOH C 3 .   ? -5.90459  -10.98384 1.31476   1.000 50.28584  ? 600 HOH A O   1 
HETATM 1856 O  O   . HOH C 3 .   ? -4.683    -3.150    -15.815   1.000 52.30104  ? 601 HOH A O   1 
HETATM 1857 O  O   . HOH C 3 .   ? -2.28465  -26.86883 -24.92280 1.000 52.41730  ? 602 HOH A O   1 
HETATM 1858 O  O   . HOH C 3 .   ? -15.25217 -1.97319  -11.23555 1.000 47.43647  ? 603 HOH A O   1 
HETATM 1859 O  O   . HOH C 3 .   ? -1.11821  -5.79218  -12.41189 1.000 47.97400  ? 604 HOH A O   1 
HETATM 1860 O  O   . HOH C 3 .   ? 3.59849   -0.04322  -16.52423 1.000 52.83345  ? 605 HOH A O   1 
HETATM 1861 O  O   . HOH C 3 .   ? -14.49665 -28.98111 -16.99996 1.000 51.14928  ? 606 HOH A O   1 
HETATM 1862 O  O   . HOH C 3 .   ? 23.09123  -9.97281  -26.10876 1.000 59.47631  ? 607 HOH A O   1 
HETATM 1863 O  O   . HOH C 3 .   ? 12.109    -25.258   -38.273   1.000 34.78226  ? 608 HOH A O   1 
HETATM 1864 O  O   . HOH C 3 .   ? -15.277   -23.123   -30.154   1.000 35.42043  ? 609 HOH A O   1 
HETATM 1865 O  O   . HOH C 3 .   ? -14.06493 -9.68285  -8.37273  1.000 40.30482  ? 610 HOH A O   1 
HETATM 1866 O  O   . HOH C 3 .   ? -14.01320 -14.11557 -2.93340  1.000 41.00182  ? 611 HOH A O   1 
HETATM 1867 O  O   . HOH C 3 .   ? -12.45299 -16.29309 -28.06534 1.000 38.95111  ? 612 HOH A O   1 
HETATM 1868 O  O   . HOH C 3 .   ? 14.85338  -7.87290  -30.28629 1.000 52.70587  ? 613 HOH A O   1 
HETATM 1869 O  O   . HOH C 3 .   ? -9.07546  -5.70677  -39.83839 1.000 50.45046  ? 614 HOH A O   1 
HETATM 1870 O  O   . HOH C 3 .   ? -10.42404 -7.10216  -40.05248 1.000 60.45197  ? 615 HOH A O   1 
HETATM 1871 O  O   . HOH C 3 .   ? 5.512     -3.751    -23.669   1.000 54.37820  ? 616 HOH A O   1 
HETATM 1872 O  O   . HOH C 3 .   ? -6.919    -23.161   -1.616    1.000 44.65146  ? 617 HOH A O   1 
HETATM 1873 O  O   . HOH C 3 .   ? -5.33917  2.34766   -26.03242 1.000 50.26567  ? 618 HOH A O   1 
HETATM 1874 O  O   . HOH C 3 .   ? -16.35150 -17.93024 -2.67261  1.000 56.10173  ? 619 HOH A O   1 
HETATM 1875 O  O   . HOH C 3 .   ? 7.63714   -28.93446 -28.40893 1.000 49.26089  ? 620 HOH A O   1 
HETATM 1876 O  O   . HOH C 3 .   ? -9.84235  -25.92153 -20.81414 1.000 37.88539  ? 621 HOH A O   1 
HETATM 1877 O  O   . HOH C 3 .   ? 1.40892   -2.88089  -13.08583 1.000 51.00429  ? 622 HOH A O   1 
HETATM 1878 O  O   . HOH C 3 .   ? -18.70130 -11.67116 -21.04117 1.000 34.58549  ? 623 HOH A O   1 
HETATM 1879 O  O   . HOH C 3 .   ? 6.09289   -29.88822 -24.79634 1.000 53.57724  ? 624 HOH A O   1 
HETATM 1880 O  O   . HOH C 3 .   ? 18.84073  -8.27167  -17.78644 1.000 41.85237  ? 625 HOH A O   1 
HETATM 1881 O  O   . HOH C 3 .   ? 7.70213   -13.97346 -38.31922 1.000 41.95309  ? 626 HOH A O   1 
HETATM 1882 O  O   . HOH C 3 .   ? -3.40008  -27.22133 -3.13539  1.000 51.40675  ? 627 HOH A O   1 
HETATM 1883 O  O   . HOH C 3 .   ? -6.10038  3.69267   -34.60514 1.000 49.71706  ? 628 HOH A O   1 
HETATM 1884 O  O   . HOH C 3 .   ? -10.52501 -8.75819  -1.48430  1.000 45.92102  ? 629 HOH A O   1 
HETATM 1885 O  O   . HOH C 3 .   ? 3.36921   -9.31241  -39.28321 1.000 44.75039  ? 630 HOH A O   1 
HETATM 1886 O  O   . HOH C 3 .   ? -11.94148 -9.68745  -39.82500 1.000 59.73329  ? 631 HOH A O   1 
HETATM 1887 O  O   . HOH C 3 .   ? -0.29288  -1.02419  -22.85107 1.000 51.80457  ? 632 HOH A O   1 
HETATM 1888 O  O   . HOH C 3 .   ? -16.208   3.129     -26.466   1.000 49.05127  ? 633 HOH A O   1 
HETATM 1889 O  O   . HOH C 3 .   ? 17.39251  -17.47276 -5.00066  1.000 57.82759  ? 634 HOH A O   1 
HETATM 1890 O  O   . HOH C 3 .   ? 5.67188   -13.09056 -39.90255 1.000 38.08310  ? 635 HOH A O   1 
HETATM 1891 O  O   . HOH C 3 .   ? 6.66158   -21.55503 -2.68742  1.000 36.46398  ? 636 HOH A O   1 
HETATM 1892 O  O   . HOH C 3 .   ? 2.348     -0.839    -26.071   1.000 48.54024  ? 637 HOH A O   1 
HETATM 1893 O  O   . HOH C 3 .   ? -22.582   -14.560   -23.428   1.000 54.72753  ? 638 HOH A O   1 
HETATM 1894 O  O   . HOH C 3 .   ? -6.062    6.914     -36.300   1.000 49.27843  ? 639 HOH A O   1 
HETATM 1895 O  O   . HOH C 3 .   ? 10.51849  -22.57138 -4.51262  1.000 44.74463  ? 640 HOH A O   1 
HETATM 1896 O  O   . HOH C 3 .   ? 8.522     -10.994   -0.126    1.000 48.81113  ? 641 HOH A O   1 
HETATM 1897 O  O   . HOH C 3 .   ? 22.703    -15.457   -19.210   1.000 52.28118  ? 642 HOH A O   1 
HETATM 1898 O  O   . HOH C 3 .   ? -7.06433  -30.60686 -9.03866  1.000 37.97792  ? 643 HOH A O   1 
HETATM 1899 O  O   . HOH C 3 .   ? -22.894   -15.363   -25.880   1.000 47.29328  ? 644 HOH A O   1 
HETATM 1900 O  O   . HOH C 3 .   ? 11.38326  -29.98746 -34.38534 1.000 43.28610  ? 645 HOH A O   1 
HETATM 1901 O  O   . HOH C 3 .   ? -12.37615 -12.90362 -1.07414  1.000 40.64997  ? 646 HOH A O   1 
HETATM 1902 O  O   . HOH C 3 .   ? 10.78474  -28.02099 -27.81249 1.000 43.32848  ? 647 HOH A O   1 
HETATM 1903 O  O   . HOH C 3 .   ? -4.32638  -28.08839 -23.40860 1.000 46.11718  ? 648 HOH A O   1 
HETATM 1904 O  O   . HOH C 3 .   ? -0.00000  -0.00000  -18.47246 0.50  34.31209  ? 649 HOH A O   1 
HETATM 1905 O  O   . HOH C 3 .   ? -16.26493 -12.63060 -6.23263  1.000 48.41015  ? 650 HOH A O   1 
HETATM 1906 O  O   . HOH C 3 .   ? 9.57483   -25.30286 -14.75066 1.000 46.42758  ? 651 HOH A O   1 
HETATM 1907 O  O   . HOH C 3 .   ? -12.02495 -26.19283 -27.79416 1.000 47.43556  ? 652 HOH A O   1 
HETATM 1908 O  O   . HOH C 3 .   ? 21.748    -17.852   -25.220   1.000 54.30755  ? 653 HOH A O   1 
HETATM 1909 O  O   . HOH C 3 .   ? 2.02971   -0.42521  -14.30238 1.000 53.24634  ? 654 HOH A O   1 
HETATM 1910 O  O   . HOH C 3 .   ? 4.81681   -14.81931 -41.56193 1.000 46.87758  ? 655 HOH A O   1 
HETATM 1911 O  O   . HOH C 3 .   ? 2.962     -2.128    -20.313   1.000 52.33072  ? 656 HOH A O   1 
HETATM 1912 O  O   . HOH C 3 .   ? 4.028     -1.924    -28.151   1.000 42.08995  ? 657 HOH A O   1 
HETATM 1913 O  O   . HOH C 3 .   ? 0.42690   -1.33316  -16.77477 1.000 45.17757  ? 658 HOH A O   1 
HETATM 1914 O  O   . HOH C 3 .   ? 10.87486  -29.88038 -19.07306 1.000 52.65098  ? 659 HOH A O   1 
HETATM 1915 O  O   . HOH C 3 .   ? -6.79047  -26.75047 -23.37608 1.000 54.77387  ? 660 HOH A O   1 
HETATM 1916 O  O   . HOH C 3 .   ? 19.246    -20.553   -22.112   1.000 41.50793  ? 661 HOH A O   1 
HETATM 1917 O  O   . HOH C 3 .   ? -14.45240 -14.03134 -10.20516 1.000 36.12303  ? 662 HOH A O   1 
HETATM 1918 O  O   . HOH C 3 .   ? -16.99791 -15.44568 -10.20482 1.000 43.96437  ? 663 HOH A O   1 
HETATM 1919 O  O   . HOH C 3 .   ? 9.59278   -12.59556 -37.38462 1.000 53.06914  ? 664 HOH A O   1 
HETATM 1920 O  O   . HOH C 3 .   ? -14.79898 -9.29431  -11.18930 1.000 43.84258  ? 665 HOH A O   1 
HETATM 1921 O  O   . HOH C 3 .   ? -19.58475 -5.84508  -21.42403 1.000 41.96986  ? 666 HOH A O   1 
HETATM 1922 O  O   . HOH C 3 .   ? -9.34342  -32.57205 -8.51467  1.000 53.51820  ? 667 HOH A O   1 
HETATM 1923 O  O   . HOH C 3 .   ? -21.06402 -7.58711  -21.02552 1.000 59.22930  ? 668 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   ? 0.61505 0.95013 0.52844 -0.11383 -0.01964 -0.31173 16  GLU A N   
2    C CA  . GLU A 9   ? 0.69712 1.00804 0.59913 -0.07159 -0.02851 -0.28957 16  GLU A CA  
3    C C   . GLU A 9   ? 0.69739 0.99928 0.61609 -0.05120 -0.03628 -0.26742 16  GLU A C   
4    O O   . GLU A 9   ? 0.55275 0.91806 0.48839 -0.03063 -0.04996 -0.25355 16  GLU A O   
5    C CB  . GLU A 9   ? 0.87296 1.25662 0.77121 -0.04017 -0.04271 -0.28282 16  GLU A CB  
6    C CG  . GLU A 9   ? 1.02239 1.39301 0.91103 0.00954  -0.05029 -0.25496 16  GLU A CG  
7    C CD  . GLU A 9   ? 1.23961 1.54600 1.09987 0.01898  -0.04004 -0.25631 16  GLU A CD  
8    O OE1 . GLU A 9   ? 1.14586 1.47495 0.99023 0.02303  -0.03997 -0.26406 16  GLU A OE1 
9    O OE2 . GLU A 9   ? 1.19096 1.42005 1.05225 0.02416  -0.02972 -0.24119 16  GLU A OE2 
10   N N   . VAL A 10  ? 0.54361 0.76269 0.45859 -0.05426 -0.02427 -0.25982 17  VAL A N   
11   C CA  . VAL A 10  ? 0.42117 0.61563 0.35820 -0.03893 -0.02708 -0.23012 17  VAL A CA  
12   C C   . VAL A 10  ? 0.42537 0.57111 0.36126 -0.00278 -0.02579 -0.19690 17  VAL A C   
13   O O   . VAL A 10  ? 0.49944 0.58860 0.42097 -0.00167 -0.01298 -0.19475 17  VAL A O   
14   C CB  . VAL A 10  ? 0.47617 0.61589 0.41757 -0.07057 -0.01086 -0.23726 17  VAL A CB  
15   C CG1 . VAL A 10  ? 0.48362 0.59418 0.44392 -0.05192 -0.01346 -0.20537 17  VAL A CG1 
16   C CG2 . VAL A 10  ? 0.61662 0.80638 0.56326 -0.10908 -0.00957 -0.26839 17  VAL A CG2 
17   N N   . GLU A 11  ? 0.36725 0.53447 0.31688 0.02571  -0.03620 -0.17189 18  GLU A N   
18   C CA  . GLU A 11  ? 0.35127 0.47784 0.30262 0.05469  -0.03318 -0.14277 18  GLU A CA  
19   C C   . GLU A 11  ? 0.33068 0.42044 0.29977 0.05158  -0.03040 -0.12519 18  GLU A C   
20   O O   . GLU A 11  ? 0.31478 0.42849 0.29635 0.04518  -0.03625 -0.12488 18  GLU A O   
21   C CB  . GLU A 11  ? 0.33848 0.50570 0.28669 0.08824  -0.04034 -0.12781 18  GLU A CB  
22   C CG  . GLU A 11  ? 0.35928 0.56318 0.28652 0.10004  -0.04250 -0.13976 18  GLU A CG  
23   C CD  . GLU A 11  ? 0.48105 0.72143 0.40048 0.13954  -0.04495 -0.12053 18  GLU A CD  
24   O OE1 . GLU A 11  ? 0.48677 0.77904 0.41050 0.14936  -0.05148 -0.11796 18  GLU A OE1 
25   O OE2 . GLU A 11  ? 0.50927 0.72514 0.41614 0.16287  -0.03750 -0.10671 18  GLU A OE2 
26   N N   . THR A 12  ? 0.33268 0.37032 0.30222 0.05735  -0.02140 -0.11056 19  THR A N   
27   C CA  . THR A 12  ? 0.31633 0.32640 0.30081 0.05613  -0.01905 -0.09396 19  THR A CA  
28   C C   . THR A 12  ? 0.32055 0.32585 0.31301 0.07826  -0.02006 -0.07190 19  THR A C   
29   O O   . THR A 12  ? 0.30369 0.29675 0.28934 0.09202  -0.01497 -0.06566 19  THR A O   
30   C CB  . THR A 12  ? 0.34060 0.30228 0.31872 0.04562  -0.00520 -0.09400 19  THR A CB  
31   O OG1 . THR A 12  ? 0.37343 0.33038 0.33974 0.02049  0.00195  -0.11791 19  THR A OG1 
32   C CG2 . THR A 12  ? 0.32520 0.27083 0.31747 0.04729  -0.00404 -0.07619 19  THR A CG2 
33   N N   . PHE A 13  ? 0.30266 0.31630 0.30815 0.07924  -0.02430 -0.06194 20  PHE A N   
34   C CA  . PHE A 13  ? 0.28621 0.29592 0.29781 0.09323  -0.02196 -0.04584 20  PHE A CA  
35   C C   . PHE A 13  ? 0.32142 0.31800 0.34720 0.08439  -0.02136 -0.03664 20  PHE A C   
36   O O   . PHE A 13  ? 0.28997 0.28737 0.32028 0.07197  -0.02478 -0.04032 20  PHE A O   
37   C CB  . PHE A 13  ? 0.28899 0.32182 0.29699 0.10351  -0.02370 -0.04386 20  PHE A CB  
38   C CG  . PHE A 13  ? 0.31119 0.37078 0.30379 0.11873  -0.02474 -0.04982 20  PHE A CG  
39   C CD1 . PHE A 13  ? 0.29529 0.39077 0.28455 0.11032  -0.03306 -0.06600 20  PHE A CD1 
40   C CD2 . PHE A 13  ? 0.34580 0.40026 0.32656 0.14130  -0.01622 -0.03974 20  PHE A CD2 
41   C CE1 . PHE A 13  ? 0.31342 0.44828 0.28829 0.12495  -0.03575 -0.07279 20  PHE A CE1 
42   C CE2 . PHE A 13  ? 0.37585 0.46167 0.33942 0.15999  -0.01718 -0.04343 20  PHE A CE2 
43   C CZ  . PHE A 13  ? 0.35094 0.48178 0.31183 0.15230  -0.02842 -0.06027 20  PHE A CZ  
44   N N   . ALA A 14  ? 0.27498 0.26457 0.30745 0.09017  -0.01625 -0.02544 21  ALA A N   
45   C CA  . ALA A 14  ? 0.26244 0.25450 0.30836 0.08135  -0.01688 -0.01858 21  ALA A CA  
46   C C   . ALA A 14  ? 0.26917 0.26643 0.31560 0.07725  -0.01593 -0.01912 21  ALA A C   
47   O O   . ALA A 14  ? 0.29461 0.28632 0.33285 0.08606  -0.00797 -0.01764 21  ALA A O   
48   C CB  . ALA A 14  ? 0.26752 0.26053 0.32222 0.08535  -0.01091 -0.00928 21  ALA A CB  
49   N N   . PHE A 15  ? 0.25539 0.25876 0.30776 0.06576  -0.02074 -0.02012 22  PHE A N   
50   C CA  . PHE A 15  ? 0.25532 0.25751 0.30605 0.05997  -0.01602 -0.02064 22  PHE A CA  
51   C C   . PHE A 15  ? 0.24126 0.24072 0.29698 0.05435  -0.00622 -0.01828 22  PHE A C   
52   O O   . PHE A 15  ? 0.27885 0.29182 0.34654 0.05078  -0.00846 -0.01512 22  PHE A O   
53   C CB  . PHE A 15  ? 0.24876 0.25927 0.30428 0.04762  -0.02262 -0.02253 22  PHE A CB  
54   C CG  . PHE A 15  ? 0.23498 0.24908 0.28623 0.04870  -0.02861 -0.02651 22  PHE A CG  
55   C CD1 . PHE A 15  ? 0.24040 0.25640 0.28218 0.05568  -0.02547 -0.02868 22  PHE A CD1 
56   C CD2 . PHE A 15  ? 0.25267 0.26941 0.30822 0.04338  -0.03431 -0.02732 22  PHE A CD2 
57   C CE1 . PHE A 15  ? 0.23326 0.26426 0.27457 0.05483  -0.03116 -0.03339 22  PHE A CE1 
58   C CE2 . PHE A 15  ? 0.27026 0.29206 0.32343 0.03918  -0.03714 -0.03355 22  PHE A CE2 
59   C CZ  . PHE A 15  ? 0.22524 0.25947 0.27369 0.04350  -0.03724 -0.03750 22  PHE A CZ  
60   N N   . GLN A 16  ? 0.28553 0.26814 0.33067 0.05355  0.00767  -0.01978 23  GLN A N   
61   C CA  . GLN A 16  ? 0.32964 0.30885 0.37906 0.03795  0.02050  -0.02284 23  GLN A CA  
62   C C   . GLN A 16  ? 0.24963 0.25624 0.31289 0.01785  0.01078  -0.02796 23  GLN A C   
63   O O   . GLN A 16  ? 0.29080 0.30346 0.35261 0.01591  0.00080  -0.02909 23  GLN A O   
64   C CB  . GLN A 16  ? 0.34597 0.29106 0.37516 0.03748  0.04281  -0.02516 23  GLN A CB  
65   C CG  . GLN A 16  ? 0.39380 0.31433 0.40571 0.06157  0.05731  -0.01714 23  GLN A CG  
66   C CD  . GLN A 16  ? 0.61389 0.49540 0.59877 0.06929  0.08299  -0.01506 23  GLN A CD  
67   O OE1 . GLN A 16  ? 0.61033 0.49036 0.58319 0.08149  0.08083  -0.01223 23  GLN A OE1 
68   N NE2 . GLN A 16  ? 0.65860 0.50645 0.63211 0.06274  0.11088  -0.01590 23  GLN A NE2 
69   N N   . ALA A 17  ? 0.28297 0.31247 0.35983 0.00368  0.01411  -0.03087 24  ALA A N   
70   C CA  . ALA A 17  ? 0.26510 0.33712 0.35601 -0.01104 0.00289  -0.03417 24  ALA A CA  
71   C C   . ALA A 17  ? 0.29756 0.36484 0.37874 -0.02763 0.00402  -0.04427 24  ALA A C   
72   O O   . ALA A 17  ? 0.30197 0.39392 0.38682 -0.02861 -0.00963 -0.04294 24  ALA A O   
73   C CB  . ALA A 17  ? 0.28559 0.39373 0.39285 -0.02630 0.00881  -0.03854 24  ALA A CB  
74   N N   . GLU A 18  ? 0.30098 0.33190 0.36596 -0.03856 0.02338  -0.05324 25  GLU A N   
75   C CA  . GLU A 18  ? 0.28770 0.30692 0.33885 -0.05492 0.02910  -0.06394 25  GLU A CA  
76   C C   . GLU A 18  ? 0.28066 0.28881 0.32344 -0.03736 0.01762  -0.05619 25  GLU A C   
77   O O   . GLU A 18  ? 0.30705 0.32575 0.34621 -0.04741 0.01190  -0.06139 25  GLU A O   
78   C CB  . GLU A 18  ? 0.37278 0.34200 0.40183 -0.06630 0.05973  -0.07308 25  GLU A CB  
79   C CG  . GLU A 18  ? 0.45292 0.43089 0.48907 -0.09306 0.07658  -0.08587 25  GLU A CG  
80   C CD  . GLU A 18  ? 0.61714 0.58805 0.66095 -0.07712 0.08263  -0.07541 25  GLU A CD  
81   O OE1 . GLU A 18  ? 0.46503 0.42810 0.50840 -0.04563 0.07148  -0.05934 25  GLU A OE1 
82   O OE2 . GLU A 18  ? 0.62362 0.59852 0.67328 -0.09828 0.09985  -0.08502 25  GLU A OE2 
83   N N   . ILE A 19  ? 0.29549 0.28731 0.33515 -0.01277 0.01462  -0.04523 26  ILE A N   
84   C CA  . ILE A 19  ? 0.30903 0.29858 0.34371 0.00061  0.00472  -0.04012 26  ILE A CA  
85   C C   . ILE A 19  ? 0.28490 0.30538 0.33486 0.00085  -0.01474 -0.03617 26  ILE A C   
86   O O   . ILE A 19  ? 0.27643 0.30229 0.32429 -0.00062 -0.02149 -0.03601 26  ILE A O   
87   C CB  . ILE A 19  ? 0.32166 0.29535 0.34779 0.02411  0.00848  -0.03287 26  ILE A CB  
88   C CG1 . ILE A 19  ? 0.39582 0.33533 0.39842 0.03253  0.03114  -0.03203 26  ILE A CG1 
89   C CG2 . ILE A 19  ? 0.33346 0.32268 0.36307 0.03353  -0.00584 -0.03004 26  ILE A CG2 
90   C CD1 . ILE A 19  ? 0.51443 0.42681 0.50830 0.02384  0.05336  -0.03543 26  ILE A CD1 
91   N N   . ALA A 20  ? 0.24196 0.27949 0.30472 0.00500  -0.02065 -0.03132 27  ALA A N   
92   C CA  . ALA A 20  ? 0.26527 0.32556 0.33696 0.00914  -0.03260 -0.02463 27  ALA A CA  
93   C C   . ALA A 20  ? 0.21790 0.30600 0.29166 -0.00359 -0.03700 -0.02746 27  ALA A C   
94   O O   . ALA A 20  ? 0.29623 0.39320 0.36843 0.00097  -0.04379 -0.02212 27  ALA A O   
95   C CB  . ALA A 20  ? 0.27767 0.34966 0.35896 0.01894  -0.03344 -0.01715 27  ALA A CB  
96   N N   . GLN A 21  ? 0.24875 0.35165 0.32420 -0.02102 -0.03127 -0.03716 28  GLN A N   
97   C CA  . GLN A 21  ? 0.22436 0.36177 0.29987 -0.03690 -0.03562 -0.04423 28  GLN A CA  
98   C C   . GLN A 21  ? 0.29710 0.41235 0.35727 -0.04130 -0.03459 -0.04885 28  GLN A C   
99   O O   . GLN A 21  ? 0.29319 0.43202 0.35150 -0.04115 -0.04313 -0.04657 28  GLN A O   
100  C CB  . GLN A 21  ? 0.27574 0.43228 0.35474 -0.06195 -0.02610 -0.05956 28  GLN A CB  
101  C CG  . GLN A 21  ? 0.36444 0.57435 0.44560 -0.08194 -0.03218 -0.07054 28  GLN A CG  
102  C CD  . GLN A 21  ? 0.72363 0.95835 0.81001 -0.11362 -0.02059 -0.09050 28  GLN A CD  
103  O OE1 . GLN A 21  ? 0.74446 0.94165 0.82843 -0.12127 -0.00366 -0.09597 28  GLN A OE1 
104  N NE2 . GLN A 21  ? 0.83717 1.13763 0.92928 -0.13317 -0.02785 -0.10246 28  GLN A NE2 
105  N N   . LEU A 22  ? 0.28301 0.35443 0.33018 -0.04171 -0.02252 -0.05333 29  LEU A N   
106  C CA  . LEU A 22  ? 0.29679 0.34741 0.32872 -0.04212 -0.01947 -0.05567 29  LEU A CA  
107  C C   . LEU A 22  ? 0.29672 0.35320 0.33320 -0.02619 -0.03157 -0.04424 29  LEU A C   
108  O O   . LEU A 22  ? 0.29516 0.35813 0.32558 -0.02886 -0.03513 -0.04434 29  LEU A O   
109  C CB  . LEU A 22  ? 0.33750 0.34333 0.35314 -0.03681 -0.00170 -0.05762 29  LEU A CB  
110  C CG  . LEU A 22  ? 0.36394 0.35057 0.36468 -0.02900 0.00228  -0.05551 29  LEU A CG  
111  C CD1 . LEU A 22  ? 0.42649 0.40881 0.41217 -0.04896 0.00975  -0.06745 29  LEU A CD1 
112  C CD2 . LEU A 22  ? 0.42898 0.38249 0.41539 -0.01095 0.01817  -0.05018 29  LEU A CD2 
113  N N   . MET A 23  ? 0.24855 0.30059 0.29371 -0.01151 -0.03550 -0.03582 30  MET A N   
114  C CA  . MET A 23  ? 0.26297 0.31516 0.31061 -0.00193 -0.04177 -0.02845 30  MET A CA  
115  C C   . MET A 23  ? 0.27794 0.35263 0.32868 -0.00039 -0.04806 -0.02126 30  MET A C   
116  O O   . MET A 23  ? 0.25172 0.32482 0.29762 0.00188  -0.04894 -0.01726 30  MET A O   
117  C CB  . MET A 23  ? 0.24607 0.28780 0.29898 0.00863  -0.04170 -0.02543 30  MET A CB  
118  C CG  . MET A 23  ? 0.25035 0.27902 0.29777 0.01367  -0.03586 -0.02972 30  MET A CG  
119  S SD  . MET A 23  ? 0.27333 0.30057 0.32516 0.02423  -0.03715 -0.02938 30  MET A SD  
120  C CE  . MET A 23  ? 0.28632 0.31807 0.34110 0.01995  -0.04078 -0.03144 30  MET A CE  
121  N N   . SER A 24  ? 0.27384 0.37250 0.33160 0.00122  -0.05074 -0.01780 31  SER A N   
122  C CA  . SER A 24  ? 0.25870 0.38728 0.31652 0.00957  -0.05516 -0.00739 31  SER A CA  
123  C C   . SER A 24  ? 0.32934 0.47892 0.37891 -0.00020 -0.05860 -0.01254 31  SER A C   
124  O O   . SER A 24  ? 0.30804 0.46722 0.35058 0.00983  -0.05996 -0.00282 31  SER A O   
125  C CB  . SER A 24  ? 0.34244 0.50605 0.41043 0.01429  -0.05730 -0.00295 31  SER A CB  
126  O OG  . SER A 24  ? 0.48861 0.69052 0.55471 0.02877  -0.06054 0.01034  31  SER A OG  
127  N N   . LEU A 25  ? 0.25153 0.40407 0.29832 -0.01969 -0.05692 -0.02810 32  LEU A N   
128  C CA  . LEU A 25  ? 0.23918 0.40878 0.27449 -0.03254 -0.05829 -0.03687 32  LEU A CA  
129  C C   . LEU A 25  ? 0.28971 0.42655 0.31338 -0.02785 -0.05510 -0.03409 32  LEU A C   
130  O O   . LEU A 25  ? 0.29706 0.44931 0.31112 -0.02698 -0.05798 -0.03205 32  LEU A O   
131  C CB  . LEU A 25  ? 0.37169 0.54381 0.40373 -0.05801 -0.05130 -0.05681 32  LEU A CB  
132  C CG  . LEU A 25  ? 0.81617 1.00804 0.83432 -0.08128 -0.04898 -0.07428 32  LEU A CG  
133  C CD1 . LEU A 25  ? 0.74838 0.93634 0.76387 -0.10922 -0.03644 -0.09515 32  LEU A CD1 
134  C CD2 . LEU A 25  ? 0.67196 0.81176 0.67472 -0.07750 -0.04023 -0.07393 32  LEU A CD2 
135  N N   . ILE A 26  ? 0.25722 0.35554 0.28166 -0.02345 -0.04906 -0.03345 33  ILE A N   
136  C CA  . ILE A 26  ? 0.31856 0.39602 0.33591 -0.01851 -0.04592 -0.03028 33  ILE A CA  
137  C C   . ILE A 26  ? 0.32277 0.40565 0.34312 -0.00630 -0.04874 -0.01709 33  ILE A C   
138  O O   . ILE A 26  ? 0.33811 0.41799 0.35042 -0.00457 -0.04670 -0.01359 33  ILE A O   
139  C CB  . ILE A 26  ? 0.27364 0.32410 0.29269 -0.01444 -0.03936 -0.03235 33  ILE A CB  
140  C CG1 . ILE A 26  ? 0.31464 0.34755 0.32074 -0.02214 -0.02876 -0.04228 33  ILE A CG1 
141  C CG2 . ILE A 26  ? 0.29754 0.34067 0.31669 -0.00807 -0.03771 -0.02768 33  ILE A CG2 
142  C CD1 . ILE A 26  ? 0.33379 0.34612 0.33851 -0.01119 -0.02025 -0.04089 33  ILE A CD1 
143  N N   . ILE A 27  ? 0.27093 0.35728 0.29970 0.00312  -0.04985 -0.00890 34  ILE A N   
144  C CA  . ILE A 27  ? 0.33522 0.41182 0.36145 0.01554  -0.04473 0.00405  34  ILE A CA  
145  C C   . ILE A 27  ? 0.33856 0.44190 0.35512 0.02657  -0.04601 0.01565  34  ILE A C   
146  O O   . ILE A 27  ? 0.43617 0.52814 0.44261 0.03591  -0.03840 0.02607  34  ILE A O   
147  C CB  . ILE A 27  ? 0.35441 0.41581 0.38750 0.02270  -0.04047 0.00811  34  ILE A CB  
148  C CG1 . ILE A 27  ? 0.28640 0.32696 0.32588 0.01379  -0.03859 -0.00296 34  ILE A CG1 
149  C CG2 . ILE A 27  ? 0.38782 0.43291 0.41182 0.03715  -0.02884 0.02291  34  ILE A CG2 
150  C CD1 . ILE A 27  ? 0.32147 0.35276 0.36660 0.01739  -0.03696 -0.00411 34  ILE A CD1 
151  N N   . ASN A 28  ? 0.32449 0.46818 0.34303 0.02578  -0.05426 0.01378  35  ASN A N   
152  C CA  . ASN A 28  ? 0.33777 0.52253 0.34798 0.04174  -0.05657 0.02695  35  ASN A CA  
153  C C   . ASN A 28  ? 0.36586 0.58648 0.36615 0.03152  -0.06388 0.01821  35  ASN A C   
154  O O   . ASN A 28  ? 0.43903 0.69613 0.42830 0.04784  -0.06540 0.03042  35  ASN A O   
155  C CB  . ASN A 28  ? 0.37138 0.59430 0.39138 0.05091  -0.06073 0.03241  35  ASN A CB  
156  C CG  . ASN A 28  ? 0.49201 0.67811 0.51652 0.06442  -0.05113 0.04275  35  ASN A CG  
157  O OD1 . ASN A 28  ? 0.54341 0.69109 0.55727 0.07832  -0.03828 0.05507  35  ASN A OD1 
158  N ND2 . ASN A 28  ? 0.61978 0.81394 0.65794 0.05847  -0.05456 0.03633  35  ASN A ND2 
159  N N   . THR A 29  ? 0.33106 0.54132 0.33105 0.00720  -0.06598 -0.00182 36  THR A N   
160  C CA  . THR A 29  ? 0.37973 0.61796 0.36591 -0.00582 -0.06996 -0.01346 36  THR A CA  
161  C C   . THR A 29  ? 0.36097 0.57674 0.33212 0.00392  -0.06480 -0.00471 36  THR A C   
162  O O   . THR A 29  ? 0.36367 0.53237 0.33701 0.00609  -0.05687 -0.00109 36  THR A O   
163  C CB  . THR A 29  ? 0.41568 0.63634 0.40009 -0.03430 -0.06668 -0.03741 36  THR A CB  
164  O OG1 . THR A 29  ? 0.40841 0.65179 0.40571 -0.04587 -0.06881 -0.04654 36  THR A OG1 
165  C CG2 . THR A 29  ? 0.48369 0.72384 0.44854 -0.05104 -0.06686 -0.05264 36  THR A CG2 
166  N N   . PHE A 30  ? 0.31005 0.56545 0.26595 0.00957  -0.06895 -0.00185 37  PHE A N   
167  C CA  . PHE A 30  ? 0.35717 0.59112 0.29653 0.01678  -0.06266 0.00476  37  PHE A CA  
168  C C   . PHE A 30  ? 0.35360 0.55944 0.28531 -0.00674 -0.05923 -0.01533 37  PHE A C   
169  O O   . PHE A 30  ? 0.38052 0.60905 0.30366 -0.02709 -0.06277 -0.03492 37  PHE A O   
170  C CB  . PHE A 30  ? 0.34299 0.62981 0.26445 0.03299  -0.06724 0.01470  37  PHE A CB  
171  C CG  . PHE A 30  ? 0.38085 0.64434 0.28342 0.04237  -0.05892 0.02318  37  PHE A CG  
172  C CD1 . PHE A 30  ? 0.42988 0.64877 0.33205 0.06134  -0.04482 0.04349  37  PHE A CD1 
173  C CD2 . PHE A 30  ? 0.38002 0.66256 0.26393 0.02937  -0.06240 0.00886  37  PHE A CD2 
174  C CE1 . PHE A 30  ? 0.42097 0.61792 0.30682 0.06858  -0.03467 0.05128  37  PHE A CE1 
175  C CE2 . PHE A 30  ? 0.44755 0.70755 0.31373 0.03920  -0.05365 0.01758  37  PHE A CE2 
176  C CZ  . PHE A 30  ? 0.39839 0.61685 0.26682 0.05932  -0.03993 0.03963  37  PHE A CZ  
177  N N   . TYR A 31  ? 0.32000 0.47762 0.25318 -0.00435 -0.04973 -0.01113 38  TYR A N   
178  C CA  . TYR A 31  ? 0.32536 0.45307 0.24996 -0.01956 -0.04279 -0.02565 38  TYR A CA  
179  C C   . TYR A 31  ? 0.32473 0.42145 0.25002 -0.00900 -0.03357 -0.01434 38  TYR A C   
180  O O   . TYR A 31  ? 0.32113 0.39976 0.26342 -0.00376 -0.03027 -0.00747 38  TYR A O   
181  C CB  . TYR A 31  ? 0.33423 0.44209 0.26933 -0.03194 -0.04017 -0.03756 38  TYR A CB  
182  C CG  . TYR A 31  ? 0.38739 0.45929 0.30873 -0.04110 -0.02759 -0.04874 38  TYR A CG  
183  C CD1 . TYR A 31  ? 0.42608 0.49626 0.32362 -0.05783 -0.02139 -0.06555 38  TYR A CD1 
184  C CD2 . TYR A 31  ? 0.41505 0.45713 0.34444 -0.03203 -0.01970 -0.04273 38  TYR A CD2 
185  C CE1 . TYR A 31  ? 0.55915 0.58751 0.43801 -0.06266 -0.00423 -0.07378 38  TYR A CE1 
186  C CE2 . TYR A 31  ? 0.39744 0.40891 0.31082 -0.03322 -0.00510 -0.04881 38  TYR A CE2 
187  C CZ  . TYR A 31  ? 0.52283 0.52186 0.40940 -0.04721 0.00427  -0.06315 38  TYR A CZ  
188  O OH  . TYR A 31  ? 0.59863 0.55814 0.46341 -0.04529 0.02428  -0.06746 38  TYR A OH  
189  N N   . SER A 32  ? 0.34283 0.43737 0.24965 -0.00776 -0.02875 -0.01405 39  SER A N   
190  C CA  . SER A 32  ? 0.34524 0.41925 0.25347 0.00245  -0.01906 -0.00173 39  SER A CA  
191  C C   . SER A 32  ? 0.36428 0.41240 0.27991 -0.00206 -0.01058 -0.00687 39  SER A C   
192  O O   . SER A 32  ? 0.37883 0.41808 0.30613 0.00304  -0.00346 0.00145  39  SER A O   
193  C CB  . SER A 32  ? 0.36951 0.45312 0.25401 0.00844  -0.01596 0.00256  39  SER A CB  
194  O OG  . SER A 32  ? 0.37914 0.49421 0.25605 0.02040  -0.02223 0.01260  39  SER A OG  
195  N N   . ASN A 33  ? 0.34744 0.38532 0.25530 -0.01087 -0.00861 -0.02012 40  ASN A N   
196  C CA  . ASN A 33  ? 0.39268 0.40898 0.29990 -0.00794 0.00281  -0.02188 40  ASN A CA  
197  C C   . ASN A 33  ? 0.35730 0.37459 0.28862 -0.00405 0.00119  -0.01930 40  ASN A C   
198  O O   . ASN A 33  ? 0.35080 0.35616 0.27968 -0.00297 0.00624  -0.02458 40  ASN A O   
199  C CB  . ASN A 33  ? 0.43256 0.42814 0.31350 -0.01621 0.01212  -0.03569 40  ASN A CB  
200  C CG  . ASN A 33  ? 0.45435 0.42425 0.32630 -0.00589 0.02908  -0.03357 40  ASN A CG  
201  O OD1 . ASN A 33  ? 0.46132 0.43763 0.34087 0.00615  0.03325  -0.02291 40  ASN A OD1 
202  N ND2 . ASN A 33  ? 0.46503 0.40643 0.31902 -0.00951 0.04190  -0.04308 40  ASN A ND2 
203  N N   . LYS A 34  ? 0.31410 0.31842 0.27532 0.01248  -0.03951 -0.01228 41  LYS A N   
204  C CA  . LYS A 34  ? 0.26257 0.29669 0.25385 0.02210  -0.02496 -0.01161 41  LYS A CA  
205  C C   . LYS A 34  ? 0.27060 0.28454 0.25760 0.02214  -0.01368 -0.02393 41  LYS A C   
206  O O   . LYS A 34  ? 0.27280 0.30306 0.27744 0.02529  -0.00820 -0.02361 41  LYS A O   
207  C CB  . LYS A 34  ? 0.30735 0.34522 0.29869 0.04214  -0.01529 -0.01152 41  LYS A CB  
208  C CG  . LYS A 34  ? 0.26701 0.33771 0.26805 0.05244  -0.02152 0.00501  41  LYS A CG  
209  C CD  . LYS A 34  ? 0.34116 0.39352 0.32319 0.07826  -0.01410 0.00153  41  LYS A CD  
210  C CE  . LYS A 34  ? 0.33325 0.42217 0.32219 0.09867  -0.01621 0.02059  41  LYS A CE  
211  N NZ  . LYS A 34  ? 0.29034 0.43291 0.30001 0.12232  -0.00667 0.04016  41  LYS A NZ  
212  N N   . GLU A 35  ? 0.29422 0.27686 0.25613 0.02344  -0.00868 -0.03090 42  GLU A N   
213  C CA  . GLU A 35  ? 0.31328 0.29029 0.27865 0.02788  0.00465  -0.03436 42  GLU A CA  
214  C C   . GLU A 35  ? 0.33770 0.31359 0.30687 0.02127  0.00034  -0.03817 42  GLU A C   
215  O O   . GLU A 35  ? 0.32491 0.30442 0.30515 0.02472  0.01012  -0.03919 42  GLU A O   
216  C CB  . GLU A 35  ? 0.35722 0.31380 0.29304 0.04089  0.01602  -0.03171 42  GLU A CB  
217  C CG  . GLU A 35  ? 0.36714 0.27964 0.24921 0.04808  0.00736  -0.03896 42  GLU A CG  
218  C CD  . GLU A 35  ? 0.49721 0.38539 0.33245 0.07642  0.02400  -0.03413 42  GLU A CD  
219  O OE1 . GLU A 35  ? 0.57029 0.47516 0.41213 0.08178  0.03348  -0.02408 42  GLU A OE1 
220  O OE2 . GLU A 35  ? 0.63292 0.48310 0.41861 0.09800  0.02845  -0.03800 42  GLU A OE2 
221  N N   . ILE A 36  ? 0.32252 0.29508 0.28536 0.00835  -0.01788 -0.03525 43  ILE A N   
222  C CA  . ILE A 36  ? 0.30556 0.27231 0.26950 -0.00202 -0.02624 -0.03474 43  ILE A CA  
223  C C   . ILE A 36  ? 0.26550 0.27208 0.26849 -0.00053 -0.01569 -0.03081 43  ILE A C   
224  O O   . ILE A 36  ? 0.27484 0.27844 0.28093 -0.00609 -0.01748 -0.03101 43  ILE A O   
225  C CB  . ILE A 36  ? 0.34421 0.29846 0.29586 -0.02555 -0.05784 -0.02248 43  ILE A CB  
226  C CG1 . ILE A 36  ? 0.37542 0.39030 0.37131 -0.03458 -0.06402 -0.00034 43  ILE A CG1 
227  C CG2 . ILE A 36  ? 0.44627 0.33152 0.33257 -0.02432 -0.07618 -0.03046 43  ILE A CG2 
228  C CD1 . ILE A 36  ? 0.58054 0.65086 0.62071 -0.04313 -0.06416 0.02137  43  ILE A CD1 
229  N N   . PHE A 37  ? 0.24848 0.28144 0.26938 0.01082  -0.00656 -0.02775 44  PHE A N   
230  C CA  . PHE A 37  ? 0.22968 0.28138 0.26446 0.02132  0.00162  -0.02603 44  PHE A CA  
231  C C   . PHE A 37  ? 0.23887 0.26856 0.27019 0.02024  0.00632  -0.03633 44  PHE A C   
232  O O   . PHE A 37  ? 0.23676 0.27372 0.27395 0.02168  0.00784  -0.03538 44  PHE A O   
233  C CB  . PHE A 37  ? 0.24079 0.29296 0.26695 0.04251  0.00683  -0.02579 44  PHE A CB  
234  C CG  . PHE A 37  ? 0.26953 0.28281 0.27994 0.04304  0.00530  -0.03607 44  PHE A CG  
235  C CD1 . PHE A 37  ? 0.27415 0.27694 0.28077 0.03727  0.00389  -0.03548 44  PHE A CD1 
236  C CD2 . PHE A 37  ? 0.31552 0.30374 0.31547 0.04595  0.00124  -0.04053 44  PHE A CD2 
237  C CE1 . PHE A 37  ? 0.29428 0.27405 0.29687 0.03228  0.00012  -0.03307 44  PHE A CE1 
238  C CE2 . PHE A 37  ? 0.30846 0.26632 0.30234 0.03641  -0.00922 -0.03889 44  PHE A CE2 
239  C CZ  . PHE A 37  ? 0.30144 0.26107 0.30164 0.02850  -0.00893 -0.03212 44  PHE A CZ  
240  N N   . LEU A 38  ? 0.24348 0.25379 0.26824 0.01946  0.00948  -0.04059 45  LEU A N   
241  C CA  . LEU A 38  ? 0.22310 0.22784 0.25561 0.01879  0.01299  -0.04028 45  LEU A CA  
242  C C   . LEU A 38  ? 0.27463 0.27527 0.30312 0.01731  0.01518  -0.04262 45  LEU A C   
243  O O   . LEU A 38  ? 0.26497 0.26825 0.30303 0.01615  0.01522  -0.04253 45  LEU A O   
244  C CB  . LEU A 38  ? 0.24977 0.25477 0.28756 0.01948  0.01731  -0.03041 45  LEU A CB  
245  C CG  . LEU A 38  ? 0.23431 0.25002 0.29401 0.01485  0.01694  -0.01704 45  LEU A CG  
246  C CD1 . LEU A 38  ? 0.26747 0.26502 0.32667 0.00573  -0.00139 -0.01923 45  LEU A CD1 
247  C CD2 . LEU A 38  ? 0.29212 0.32907 0.36912 0.01440  0.02270  0.00721  45  LEU A CD2 
248  N N   . ARG A 39  ? 0.29146 0.27379 0.29554 0.01804  0.01242  -0.04497 46  ARG A N   
249  C CA  . ARG A 39  ? 0.27519 0.23173 0.25685 0.01707  0.00619  -0.04823 46  ARG A CA  
250  C C   . ARG A 39  ? 0.31198 0.28431 0.31269 0.00187  -0.00349 -0.04466 46  ARG A C   
251  O O   . ARG A 39  ? 0.29923 0.26296 0.29813 0.00145  -0.00398 -0.04566 46  ARG A O   
252  C CB  . ARG A 39  ? 0.36186 0.27275 0.29453 0.01731  -0.00809 -0.05146 46  ARG A CB  
253  C CG  . ARG A 39  ? 0.42792 0.28618 0.31704 0.01412  -0.02601 -0.05492 46  ARG A CG  
254  C CD  . ARG A 39  ? 0.54392 0.33654 0.36961 0.00826  -0.05424 -0.05713 46  ARG A CD  
255  N NE  . ARG A 39  ? 0.58900 0.40988 0.44644 -0.02569 -0.07821 -0.04298 46  ARG A NE  
256  C CZ  . ARG A 39  ? 0.66068 0.44714 0.48496 -0.03946 -0.10617 -0.03796 46  ARG A CZ  
257  N NH1 . ARG A 39  ? 0.67365 0.38097 0.41728 -0.01941 -0.11463 -0.05130 46  ARG A NH1 
258  N NH2 . ARG A 39  ? 0.63679 0.47097 0.50666 -0.07030 -0.12609 -0.01521 46  ARG A NH2 
259  N N   . GLU A 40  ? 0.24781 0.24938 0.26732 -0.00668 -0.00900 -0.03580 47  GLU A N   
260  C CA  . GLU A 40  ? 0.22578 0.25658 0.26552 -0.01625 -0.01428 -0.02195 47  GLU A CA  
261  C C   . GLU A 40  ? 0.23564 0.27879 0.28554 -0.00268 -0.00065 -0.02615 47  GLU A C   
262  O O   . GLU A 40  ? 0.24541 0.29517 0.30048 -0.00739 -0.00232 -0.02005 47  GLU A O   
263  C CB  . GLU A 40  ? 0.20362 0.27900 0.26496 -0.01976 -0.01844 -0.00149 47  GLU A CB  
264  C CG  . GLU A 40  ? 0.28948 0.35047 0.34085 -0.04126 -0.04241 0.00844  47  GLU A CG  
265  C CD  . GLU A 40  ? 0.39888 0.41459 0.42495 -0.06626 -0.06964 0.01225  47  GLU A CD  
266  O OE1 . GLU A 40  ? 0.35176 0.38262 0.39318 -0.07610 -0.07291 0.02435  47  GLU A OE1 
267  O OE2 . GLU A 40  ? 0.42859 0.38332 0.40874 -0.07348 -0.09004 0.00321  47  GLU A OE2 
268  N N   . LEU A 41  ? 0.21090 0.24920 0.25746 0.01210  0.00762  -0.03460 48  LEU A N   
269  C CA  . LEU A 41  ? 0.21978 0.25047 0.26061 0.02298  0.01036  -0.03850 48  LEU A CA  
270  C C   . LEU A 41  ? 0.25167 0.26548 0.29609 0.01550  0.00813  -0.04352 48  LEU A C   
271  O O   . LEU A 41  ? 0.25433 0.26480 0.29624 0.01763  0.00655  -0.04346 48  LEU A O   
272  C CB  . LEU A 41  ? 0.24271 0.25271 0.26545 0.03613  0.00760  -0.04342 48  LEU A CB  
273  C CG  . LEU A 41  ? 0.25683 0.28115 0.26699 0.05570  0.01276  -0.03730 48  LEU A CG  
274  C CD1 . LEU A 41  ? 0.30158 0.28369 0.27985 0.06797  0.00394  -0.04464 48  LEU A CD1 
275  C CD2 . LEU A 41  ? 0.27275 0.32068 0.27330 0.07774  0.02218  -0.02609 48  LEU A CD2 
276  N N   . ILE A 42  ? 0.22472 0.23092 0.27235 0.01208  0.00992  -0.04449 49  ILE A N   
277  C CA  . ILE A 42  ? 0.26105 0.26283 0.31390 0.01356  0.01229  -0.04208 49  ILE A CA  
278  C C   . ILE A 42  ? 0.25724 0.24770 0.29810 0.01125  0.01000  -0.04459 49  ILE A C   
279  O O   . ILE A 42  ? 0.24907 0.23757 0.29380 0.01270  0.00945  -0.04324 49  ILE A O   
280  C CB  . ILE A 42  ? 0.27772 0.28260 0.33107 0.02257  0.02136  -0.03506 49  ILE A CB  
281  C CG1 . ILE A 42  ? 0.21834 0.23917 0.29324 0.01714  0.01807  -0.02321 49  ILE A CG1 
282  C CG2 . ILE A 42  ? 0.28918 0.29516 0.34092 0.03639  0.02965  -0.02762 49  ILE A CG2 
283  C CD1 . ILE A 42  ? 0.24978 0.28967 0.33232 0.02708  0.03048  -0.00660 49  ILE A CD1 
284  N N   . SER A 43  ? 0.25146 0.23111 0.27672 0.00370  0.00307  -0.04473 50  SER A N   
285  C CA  . SER A 43  ? 0.28958 0.24957 0.29993 -0.00662 -0.00885 -0.04144 50  SER A CA  
286  C C   . SER A 43  ? 0.27701 0.26610 0.30906 -0.01297 -0.00841 -0.03283 50  SER A C   
287  O O   . SER A 43  ? 0.27033 0.24755 0.29711 -0.01622 -0.01261 -0.03083 50  SER A O   
288  C CB  . SER A 43  ? 0.36796 0.30636 0.35722 -0.02267 -0.02803 -0.03550 50  SER A CB  
289  O OG  . SER A 43  ? 0.43018 0.34958 0.40869 -0.04263 -0.04897 -0.02421 50  SER A OG  
290  N N   . ASN A 44  ? 0.22870 0.25227 0.27707 -0.00851 -0.00188 -0.02655 51  ASN A N   
291  C CA  . ASN A 44  ? 0.21831 0.26656 0.27306 -0.00128 0.00377  -0.01680 51  ASN A CA  
292  C C   . ASN A 44  ? 0.22351 0.24937 0.26838 0.00804  0.00545  -0.02873 51  ASN A C   
293  O O   . ASN A 44  ? 0.24068 0.26887 0.28255 0.00881  0.00526  -0.02329 51  ASN A O   
294  C CB  . ASN A 44  ? 0.23268 0.30989 0.28755 0.01746  0.01373  -0.00912 51  ASN A CB  
295  C CG  . ASN A 44  ? 0.33484 0.45773 0.41199 0.00856  0.01215  0.01648  51  ASN A CG  
296  O OD1 . ASN A 44  ? 0.29985 0.42424 0.38952 -0.01909 -0.00371 0.02908  51  ASN A OD1 
297  N ND2 . ASN A 44  ? 0.28607 0.44158 0.36349 0.03222  0.02423  0.02773  51  ASN A ND2 
298  N N   . SER A 45  ? 0.21529 0.22312 0.25787 0.01245  0.00408  -0.03947 52  SER A N   
299  C CA  . SER A 45  ? 0.26458 0.25606 0.30523 0.01414  -0.00234 -0.04235 52  SER A CA  
300  C C   . SER A 45  ? 0.24962 0.23867 0.29813 0.00949  -0.00200 -0.04022 52  SER A C   
301  O O   . SER A 45  ? 0.25072 0.23393 0.29649 0.01026  -0.00664 -0.03863 52  SER A O   
302  C CB  . SER A 45  ? 0.24327 0.22664 0.29121 0.01147  -0.00977 -0.04149 52  SER A CB  
303  O OG  . SER A 45  ? 0.29192 0.25677 0.31696 0.01790  -0.01706 -0.04509 52  SER A OG  
304  N N   . SER A 46  ? 0.23854 0.22227 0.28542 0.00919  0.00194  -0.04061 53  SER A N   
305  C CA  . SER A 46  ? 0.24578 0.21102 0.28131 0.01417  0.00139  -0.03963 53  SER A CA  
306  C C   . SER A 46  ? 0.30315 0.25827 0.32831 0.00344  -0.00687 -0.03702 53  SER A C   
307  O O   . SER A 46  ? 0.29539 0.24010 0.31636 0.00695  -0.00924 -0.03545 53  SER A O   
308  C CB  . SER A 46  ? 0.26819 0.20723 0.27702 0.02483  0.00419  -0.04239 53  SER A CB  
309  O OG  . SER A 46  ? 0.33094 0.23214 0.30689 0.03723  0.00089  -0.04320 53  SER A OG  
310  N N   . ASP A 47  ? 0.25635 0.22267 0.28242 -0.01009 -0.01165 -0.03014 54  ASP A N   
311  C CA  . ASP A 47  ? 0.27526 0.24767 0.30145 -0.02324 -0.01946 -0.01581 54  ASP A CA  
312  C C   . ASP A 47  ? 0.29465 0.28606 0.32714 -0.01249 -0.01109 -0.01392 54  ASP A C   
313  O O   . ASP A 47  ? 0.28144 0.26677 0.30889 -0.01704 -0.01560 -0.00635 54  ASP A O   
314  C CB  . ASP A 47  ? 0.24772 0.25116 0.28773 -0.04029 -0.02577 0.00528  54  ASP A CB  
315  C CG  . ASP A 47  ? 0.36008 0.33021 0.38312 -0.05762 -0.04540 0.00632  54  ASP A CG  
316  O OD1 . ASP A 47  ? 0.43469 0.34375 0.41981 -0.05477 -0.05645 -0.00743 54  ASP A OD1 
317  O OD2 . ASP A 47  ? 0.38472 0.38589 0.42544 -0.07155 -0.05213 0.02427  54  ASP A OD2 
318  N N   . ALA A 48  ? 0.24385 0.24685 0.27677 0.00245  -0.00301 -0.02050 55  ALA A N   
319  C CA  . ALA A 48  ? 0.26152 0.26105 0.27857 0.01663  -0.00155 -0.02074 55  ALA A CA  
320  C C   . ALA A 48  ? 0.26991 0.24434 0.28579 0.01467  -0.01124 -0.02835 55  ALA A C   
321  O O   . ALA A 48  ? 0.27446 0.24014 0.27638 0.01930  -0.01487 -0.02554 55  ALA A O   
322  C CB  . ALA A 48  ? 0.28319 0.27571 0.27919 0.03525  0.00059  -0.02691 55  ALA A CB  
323  N N   . LEU A 49  ? 0.26716 0.23644 0.29876 0.01088  -0.01424 -0.03299 56  LEU A N   
324  C CA  . LEU A 49  ? 0.25459 0.21830 0.29641 0.01199  -0.02091 -0.02977 56  LEU A CA  
325  C C   . LEU A 49  ? 0.27719 0.22992 0.31110 0.01294  -0.01917 -0.02733 56  LEU A C   
326  O O   . LEU A 49  ? 0.27083 0.21807 0.30391 0.01555  -0.02520 -0.02335 56  LEU A O   
327  C CB  . LEU A 49  ? 0.22251 0.20086 0.28766 0.01458  -0.01844 -0.02418 56  LEU A CB  
328  C CG  . LEU A 49  ? 0.24812 0.23000 0.32199 0.00696  -0.03002 -0.02053 56  LEU A CG  
329  C CD1 . LEU A 49  ? 0.24379 0.24855 0.34050 0.00850  -0.02153 -0.01192 56  LEU A CD1 
330  C CD2 . LEU A 49  ? 0.25284 0.22933 0.33461 -0.00199 -0.05328 -0.00807 56  LEU A CD2 
331  N N   . ASP A 50  ? 0.27975 0.21983 0.30126 0.00902  -0.01671 -0.02833 57  ASP A N   
332  C CA  . ASP A 50  ? 0.28690 0.19692 0.28653 0.00604  -0.02426 -0.02476 57  ASP A CA  
333  C C   . ASP A 50  ? 0.31446 0.23365 0.31457 -0.00326 -0.02833 -0.01581 57  ASP A C   
334  O O   . ASP A 50  ? 0.32546 0.22465 0.31376 -0.00167 -0.03452 -0.01259 57  ASP A O   
335  C CB  . ASP A 50  ? 0.31081 0.19033 0.28595 -0.00599 -0.03432 -0.02326 57  ASP A CB  
336  C CG  . ASP A 50  ? 0.42066 0.27250 0.37323 0.01136  -0.03098 -0.03286 57  ASP A CG  
337  O OD1 . ASP A 50  ? 0.42827 0.29299 0.38929 0.03583  -0.01705 -0.03490 57  ASP A OD1 
338  O OD2 . ASP A 50  ? 0.47173 0.28903 0.39551 0.00080  -0.04448 -0.03330 57  ASP A OD2 
339  N N   . LYS A 51  ? 0.28337 0.23290 0.29178 -0.00735 -0.02280 -0.00903 58  LYS A N   
340  C CA  . LYS A 51  ? 0.29504 0.26002 0.29801 -0.00830 -0.02120 0.00599  58  LYS A CA  
341  C C   . LYS A 51  ? 0.31153 0.26229 0.30147 0.00557  -0.02321 -0.00158 58  LYS A C   
342  O O   . LYS A 51  ? 0.34031 0.28367 0.32050 0.00394  -0.02696 0.00700  58  LYS A O   
343  C CB  . LYS A 51  ? 0.27106 0.27755 0.27856 -0.00123 -0.00856 0.01993  58  LYS A CB  
344  C CG  . LYS A 51  ? 0.29996 0.33410 0.32886 -0.02161 -0.01172 0.04060  58  LYS A CG  
345  C CD  . LYS A 51  ? 0.30270 0.39201 0.34156 -0.00540 0.00571  0.05964  58  LYS A CD  
346  C CE  . LYS A 51  ? 0.37350 0.49536 0.44190 -0.02809 -0.00169 0.08139  58  LYS A CE  
347  N NZ  . LYS A 51  ? 0.39422 0.58276 0.47690 -0.00533 0.01902  0.10698  58  LYS A NZ  
348  N N   . ILE A 52  ? 0.29726 0.24054 0.28490 0.01567  -0.02605 -0.01406 59  ILE A N   
349  C CA  . ILE A 52  ? 0.32859 0.25122 0.30076 0.02235  -0.03854 -0.01677 59  ILE A CA  
350  C C   . ILE A 52  ? 0.34547 0.26332 0.33679 0.01753  -0.04581 -0.01417 59  ILE A C   
351  O O   . ILE A 52  ? 0.33658 0.24235 0.31779 0.01976  -0.05506 -0.01014 59  ILE A O   
352  C CB  . ILE A 52  ? 0.34501 0.24896 0.30306 0.02704  -0.05202 -0.02436 59  ILE A CB  
353  C CG1 . ILE A 52  ? 0.41600 0.28360 0.34202 0.03053  -0.07521 -0.02405 59  ILE A CG1 
354  C CG2 . ILE A 52  ? 0.30614 0.22408 0.30182 0.01618  -0.05651 -0.02377 59  ILE A CG2 
355  C CD1 . ILE A 52  ? 0.45934 0.31001 0.33568 0.04999  -0.06787 -0.02270 59  ILE A CD1 
356  N N   . ARG A 53  ? 0.30874 0.23369 0.32048 0.01718  -0.04038 -0.01469 60  ARG A N   
357  C CA  . ARG A 53  ? 0.29614 0.21481 0.31384 0.02610  -0.04198 -0.00893 60  ARG A CA  
358  C C   . ARG A 53  ? 0.35457 0.24623 0.34681 0.02396  -0.04482 -0.00688 60  ARG A C   
359  O O   . ARG A 53  ? 0.36114 0.24438 0.34995 0.03083  -0.05121 -0.00141 60  ARG A O   
360  C CB  . ARG A 53  ? 0.33512 0.25703 0.35951 0.03919  -0.03158 -0.00853 60  ARG A CB  
361  C CG  . ARG A 53  ? 0.53761 0.46385 0.56737 0.06280  -0.02893 0.00387  60  ARG A CG  
362  C CD  . ARG A 53  ? 0.74971 0.66385 0.76018 0.09178  -0.01428 0.00545  60  ARG A CD  
363  N NE  . ARG A 53  ? 0.80215 0.77416 0.85570 0.10786  -0.00291 0.02634  60  ARG A NE  
364  C CZ  . ARG A 53  ? 0.67934 0.66799 0.73879 0.11562  0.00948  0.02851  60  ARG A CZ  
365  N NH1 . ARG A 53  ? 0.60660 0.55304 0.62811 0.10970  0.01058  0.00751  60  ARG A NH1 
366  N NH2 . ARG A 53  ? 0.48018 0.53417 0.58852 0.12678  0.01843  0.05798  60  ARG A NH2 
367  N N   . TYR A 54  ? 0.34807 0.22786 0.32497 0.01122  -0.04401 -0.00596 61  TYR A N   
368  C CA  . TYR A 54  ? 0.37103 0.22382 0.32568 0.00103  -0.05355 0.00388  61  TYR A CA  
369  C C   . TYR A 54  ? 0.40008 0.26678 0.35390 0.00087  -0.05404 0.01204  61  TYR A C   
370  O O   . TYR A 54  ? 0.40657 0.25014 0.34591 0.00241  -0.06222 0.01727  61  TYR A O   
371  C CB  . TYR A 54  ? 0.40108 0.25119 0.35039 -0.02231 -0.05995 0.01558  61  TYR A CB  
372  C CG  . TYR A 54  ? 0.44885 0.26553 0.37584 -0.04102 -0.07866 0.03334  61  TYR A CG  
373  C CD1 . TYR A 54  ? 0.47811 0.22280 0.36264 -0.03709 -0.09709 0.02727  61  TYR A CD1 
374  C CD2 . TYR A 54  ? 0.45565 0.30924 0.39700 -0.05794 -0.07815 0.05968  61  TYR A CD2 
375  C CE1 . TYR A 54  ? 0.53404 0.23369 0.38963 -0.05748 -0.12150 0.04470  61  TYR A CE1 
376  C CE2 . TYR A 54  ? 0.49532 0.32204 0.42101 -0.08051 -0.09871 0.08305  61  TYR A CE2 
377  C CZ  . TYR A 54  ? 0.56295 0.30725 0.44507 -0.08401 -0.12379 0.07421  61  TYR A CZ  
378  O OH  . TYR A 54  ? 0.64317 0.34607 0.50111 -0.11000 -0.15158 0.09852  61  TYR A OH  
379  N N   . GLU A 55  ? 0.38383 0.27963 0.34194 0.00412  -0.04596 0.01299  62  GLU A N   
380  C CA  . GLU A 55  ? 0.38669 0.28415 0.32527 0.01258  -0.04615 0.01978  62  GLU A CA  
381  C C   . GLU A 55  ? 0.43376 0.30915 0.36799 0.02045  -0.05973 0.01198  62  GLU A C   
382  O O   . GLU A 55  ? 0.50331 0.36566 0.41980 0.02316  -0.06572 0.01894  62  GLU A O   
383  C CB  . GLU A 55  ? 0.40834 0.32241 0.33042 0.02742  -0.03598 0.01895  62  GLU A CB  
384  C CG  . GLU A 55  ? 0.45989 0.41440 0.38615 0.02679  -0.01902 0.04219  62  GLU A CG  
385  C CD  . GLU A 55  ? 0.70776 0.67534 0.59962 0.05854  -0.00360 0.04626  62  GLU A CD  
386  O OE1 . GLU A 55  ? 0.60310 0.52788 0.45483 0.07743  -0.01328 0.02615  62  GLU A OE1 
387  O OE2 . GLU A 55  ? 0.62192 0.63963 0.52213 0.06637  0.01546  0.07349  62  GLU A OE2 
388  N N   . SER A 56  ? 0.37534 0.25339 0.33051 0.02287  -0.06585 0.00375  63  SER A N   
389  C CA  . SER A 56  ? 0.39402 0.26785 0.35883 0.02668  -0.08241 0.00774  63  SER A CA  
390  C C   . SER A 56  ? 0.41453 0.28233 0.38547 0.03364  -0.08203 0.01521  63  SER A C   
391  O O   . SER A 56  ? 0.45009 0.31988 0.42883 0.03861  -0.09518 0.02435  63  SER A O   
392  C CB  . SER A 56  ? 0.38766 0.28242 0.38519 0.02418  -0.08986 0.01034  63  SER A CB  
393  O OG  . SER A 56  ? 0.43917 0.35453 0.46345 0.03242  -0.07496 0.01392  63  SER A OG  
394  N N   . LEU A 57  ? 0.41194 0.26433 0.37239 0.03478  -0.07200 0.01334  64  LEU A N   
395  C CA  . LEU A 57  ? 0.47774 0.30324 0.42382 0.04861  -0.07493 0.01838  64  LEU A CA  
396  C C   . LEU A 57  ? 0.57975 0.38669 0.50630 0.04445  -0.08531 0.02550  64  LEU A C   
397  O O   . LEU A 57  ? 0.62578 0.41880 0.54648 0.06030  -0.09104 0.03178  64  LEU A O   
398  C CB  . LEU A 57  ? 0.50684 0.29159 0.42260 0.04819  -0.07314 0.01376  64  LEU A CB  
399  C CG  . LEU A 57  ? 0.49118 0.28331 0.41376 0.06015  -0.06255 0.00658  64  LEU A CG  
400  C CD1 . LEU A 57  ? 0.54796 0.27541 0.41956 0.06012  -0.07077 0.00140  64  LEU A CD1 
401  C CD2 . LEU A 57  ? 0.53482 0.35705 0.48037 0.09218  -0.05267 0.01444  64  LEU A CD2 
402  N N   . THR A 58  ? 0.49027 0.30025 0.40442 0.02859  -0.08541 0.02823  65  THR A N   
403  C CA  . THR A 58  ? 0.49435 0.29035 0.38648 0.02648  -0.09267 0.03828  65  THR A CA  
404  C C   . THR A 58  ? 0.65607 0.46277 0.53881 0.03197  -0.09754 0.03711  65  THR A C   
405  O O   . THR A 58  ? 0.67561 0.46729 0.53492 0.03538  -0.10526 0.04450  65  THR A O   
406  C CB  . THR A 58  ? 0.75858 0.54935 0.63487 0.00822  -0.08963 0.05360  65  THR A CB  
407  O OG1 . THR A 58  ? 0.66071 0.48836 0.54642 0.00321  -0.07594 0.05743  65  THR A OG1 
408  C CG2 . THR A 58  ? 0.70685 0.45826 0.57236 -0.00220 -0.09959 0.05580  65  THR A CG2 
409  N N   . ASP A 59  ? 0.62173 0.45762 0.44648 0.12144  -0.05076 0.08352  66  ASP A N   
410  C CA  . ASP A 59  ? 0.56983 0.43876 0.39446 0.11702  -0.06581 0.08257  66  ASP A CA  
411  C C   . ASP A 59  ? 0.49970 0.40674 0.35782 0.11647  -0.07585 0.07424  66  ASP A C   
412  O O   . ASP A 59  ? 0.48567 0.40200 0.35375 0.10239  -0.07379 0.05909  66  ASP A O   
413  C CB  . ASP A 59  ? 0.58481 0.44752 0.38929 0.09929  -0.06089 0.07441  66  ASP A CB  
414  C CG  . ASP A 59  ? 0.66139 0.54309 0.44941 0.09730  -0.07503 0.07278  66  ASP A CG  
415  O OD1 . ASP A 59  ? 0.68740 0.58923 0.48211 0.10523  -0.09294 0.07788  66  ASP A OD1 
416  O OD2 . ASP A 59  ? 0.69627 0.57174 0.46314 0.08802  -0.06845 0.06739  66  ASP A OD2 
417  N N   . PRO A 60  ? 0.59878 0.53058 0.47784 0.13180  -0.08656 0.08655  67  PRO A N   
418  C CA  . PRO A 60  ? 0.52627 0.49909 0.44289 0.12912  -0.09642 0.08278  67  PRO A CA  
419  C C   . PRO A 60  ? 0.51849 0.50850 0.43041 0.10901  -0.11222 0.07053  67  PRO A C   
420  O O   . PRO A 60  ? 0.52389 0.53465 0.46085 0.09962  -0.11488 0.06144  67  PRO A O   
421  C CB  . PRO A 60  ? 0.51385 0.51545 0.45338 0.14878  -0.10795 0.10483  67  PRO A CB  
422  C CG  . PRO A 60  ? 0.78238 0.75010 0.69558 0.16629  -0.09907 0.11841  67  PRO A CG  
423  C CD  . PRO A 60  ? 0.65523 0.57544 0.53114 0.15441  -0.08411 0.10615  67  PRO A CD  
424  N N   . SER A 61  ? 0.52983 0.50706 0.40567 0.10318  -0.12178 0.07036  68  SER A N   
425  C CA  . SER A 61  ? 0.54357 0.52578 0.40348 0.08666  -0.13584 0.05753  68  SER A CA  
426  C C   . SER A 61  ? 0.50733 0.47828 0.36752 0.07456  -0.12081 0.03885  68  SER A C   
427  O O   . SER A 61  ? 0.49650 0.47012 0.34880 0.06254  -0.13030 0.02702  68  SER A O   
428  C CB  . SER A 61  ? 0.54619 0.50725 0.35599 0.08652  -0.14381 0.06062  68  SER A CB  
429  O OG  . SER A 61  ? 0.62478 0.55567 0.40817 0.08739  -0.12111 0.05765  68  SER A OG  
430  N N   . LYS A 62  ? 0.45657 0.41245 0.32355 0.07696  -0.09927 0.03666  69  LYS A N   
431  C CA  . LYS A 62  ? 0.41078 0.36204 0.28389 0.06586  -0.08734 0.02195  69  LYS A CA  
432  C C   . LYS A 62  ? 0.43894 0.41363 0.34396 0.06023  -0.09408 0.01457  69  LYS A C   
433  O O   . LYS A 62  ? 0.43483 0.40790 0.34227 0.05049  -0.08912 0.00231  69  LYS A O   
434  C CB  . LYS A 62  ? 0.45576 0.38744 0.33149 0.06687  -0.06833 0.02342  69  LYS A CB  
435  C CG  . LYS A 62  ? 0.61330 0.52117 0.46038 0.06804  -0.05987 0.03235  69  LYS A CG  
436  C CD  . LYS A 62  ? 0.55470 0.45746 0.39213 0.05667  -0.04835 0.02641  69  LYS A CD  
437  C CE  . LYS A 62  ? 0.62942 0.51306 0.44372 0.05633  -0.03765 0.03919  69  LYS A CE  
438  N NZ  . LYS A 62  ? 0.74071 0.62780 0.55479 0.04644  -0.02387 0.03800  69  LYS A NZ  
439  N N   . LEU A 63  ? 0.40165 0.40011 0.33353 0.06705  -0.10405 0.02432  70  LEU A N   
440  C CA  . LEU A 63  ? 0.40083 0.42590 0.36693 0.06114  -0.10969 0.02161  70  LEU A CA  
441  C C   . LEU A 63  ? 0.40700 0.45239 0.37650 0.05025  -0.13523 0.02335  70  LEU A C   
442  O O   . LEU A 63  ? 0.41126 0.48381 0.41421 0.04349  -0.14338 0.02608  70  LEU A O   
443  C CB  . LEU A 63  ? 0.39496 0.43706 0.39388 0.07628  -0.10068 0.03399  70  LEU A CB  
444  C CG  . LEU A 63  ? 0.38749 0.40081 0.37715 0.08510  -0.07762 0.03032  70  LEU A CG  
445  C CD1 . LEU A 63  ? 0.39572 0.41969 0.40933 0.10439  -0.06708 0.04238  70  LEU A CD1 
446  C CD2 . LEU A 63  ? 0.41780 0.41950 0.40339 0.07103  -0.06929 0.01403  70  LEU A CD2 
447  N N   . ASP A 64  ? 0.40021 0.43057 0.33294 0.04702  -0.14870 0.02261  71  ASP A N   
448  C CA  . ASP A 64  ? 0.49406 0.53306 0.41844 0.03292  -0.17674 0.02166  71  ASP A CA  
449  C C   . ASP A 64  ? 0.47389 0.50323 0.39616 0.01659  -0.17815 0.00516  71  ASP A C   
450  O O   . ASP A 64  ? 0.50122 0.54194 0.43188 0.00120  -0.20122 0.00539  71  ASP A O   
451  C CB  . ASP A 64  ? 0.49999 0.51294 0.37073 0.03357  -0.18854 0.02107  71  ASP A CB  
452  C CG  . ASP A 64  ? 0.66910 0.69493 0.54241 0.04771  -0.19535 0.04096  71  ASP A CG  
453  O OD1 . ASP A 64  ? 0.63088 0.69009 0.55051 0.05654  -0.19574 0.05638  71  ASP A OD1 
454  O OD2 . ASP A 64  ? 0.66928 0.67098 0.49657 0.05204  -0.19891 0.04262  71  ASP A OD2 
455  N N   . SER A 65  ? 0.42426 0.43238 0.33607 0.01880  -0.15516 -0.00743 72  SER A N   
456  C CA  . SER A 65  ? 0.38093 0.37787 0.29174 0.00758  -0.15191 -0.02165 72  SER A CA  
457  C C   . SER A 65  ? 0.45456 0.47844 0.41427 0.00404  -0.14672 -0.01813 72  SER A C   
458  O O   . SER A 65  ? 0.48845 0.50355 0.45052 -0.00388 -0.14154 -0.02813 72  SER A O   
459  C CB  . SER A 65  ? 0.44197 0.41123 0.32539 0.01377  -0.12911 -0.03222 72  SER A CB  
460  O OG  . SER A 65  ? 0.44014 0.41563 0.33860 0.02428  -0.11053 -0.02520 72  SER A OG  
461  N N   . GLY A 66  ? 0.39269 0.44742 0.38901 0.01209  -0.14598 -0.00294 73  GLY A N   
462  C CA  . GLY A 66  ? 0.40493 0.48527 0.44441 0.01199  -0.13768 0.00264  73  GLY A CA  
463  C C   . GLY A 66  ? 0.36095 0.45295 0.42008 0.03143  -0.11967 0.01383  73  GLY A C   
464  O O   . GLY A 66  ? 0.34759 0.41422 0.38591 0.04027  -0.10266 0.00773  73  GLY A O   
465  N N   . LYS A 67  ? 0.34490 0.47376 0.44332 0.03835  -0.12305 0.03156  74  LYS A N   
466  C CA  . LYS A 67  ? 0.26436 0.39841 0.37548 0.06166  -0.10420 0.04322  74  LYS A CA  
467  C C   . LYS A 67  ? 0.29084 0.42041 0.41278 0.06777  -0.08133 0.03938  74  LYS A C   
468  O O   . LYS A 67  ? 0.37904 0.48841 0.48882 0.08554  -0.06215 0.04027  74  LYS A O   
469  C CB  . LYS A 67  ? 0.29313 0.47152 0.44269 0.07202  -0.11471 0.06769  74  LYS A CB  
470  C CG  . LYS A 67  ? 0.59187 0.76197 0.72513 0.08907  -0.11723 0.07781  74  LYS A CG  
471  C CD  . LYS A 67  ? 0.66758 0.82773 0.77176 0.07383  -0.14287 0.07292  74  LYS A CD  
472  C CE  . LYS A 67  ? 0.73052 0.90427 0.83555 0.08855  -0.15460 0.09243  74  LYS A CE  
473  N NZ  . LYS A 67  ? 0.77519 0.91141 0.84964 0.10879  -0.13435 0.09175  74  LYS A NZ  
474  N N   . GLU A 68  ? 0.27040 0.41321 0.40974 0.05316  -0.08364 0.03532  75  GLU A N   
475  C CA  . GLU A 68  ? 0.24277 0.38393 0.39148 0.05894  -0.06301 0.03400  75  GLU A CA  
476  C C   . GLU A 68  ? 0.29193 0.38876 0.40150 0.05701  -0.05138 0.01512  75  GLU A C   
477  O O   . GLU A 68  ? 0.34011 0.41938 0.42924 0.04274  -0.06038 0.00220  75  GLU A O   
478  C CB  . GLU A 68  ? 0.28472 0.45239 0.46309 0.04184  -0.07043 0.03730  75  GLU A CB  
479  C CG  . GLU A 68  ? 0.35184 0.57228 0.58149 0.04401  -0.07604 0.06170  75  GLU A CG  
480  C CD  . GLU A 68  ? 0.93300 1.17550 1.19138 0.02398  -0.08182 0.06611  75  GLU A CD  
481  O OE1 . GLU A 68  ? 0.57289 0.79599 0.81418 0.00121  -0.09886 0.05253  75  GLU A OE1 
482  O OE2 . GLU A 68  ? 0.90145 1.17806 1.19746 0.03224  -0.06757 0.08420  75  GLU A OE2 
483  N N   . LEU A 69  ? 0.26320 0.34141 0.36123 0.07170  -0.03152 0.01478  76  LEU A N   
484  C CA  . LEU A 69  ? 0.26963 0.30807 0.33299 0.06745  -0.02330 -0.00035 76  LEU A CA  
485  C C   . LEU A 69  ? 0.23624 0.27424 0.30312 0.06785  -0.01097 -0.00210 76  LEU A C   
486  O O   . LEU A 69  ? 0.26479 0.29890 0.33017 0.08516  0.00517  0.00499  76  LEU A O   
487  C CB  . LEU A 69  ? 0.31503 0.31919 0.34919 0.08109  -0.01438 -0.00049 76  LEU A CB  
488  C CG  . LEU A 69  ? 0.34635 0.34690 0.37262 0.08194  -0.02465 0.00310  76  LEU A CG  
489  C CD1 . LEU A 69  ? 0.48179 0.44029 0.47567 0.09282  -0.01501 0.00295  76  LEU A CD1 
490  C CD2 . LEU A 69  ? 0.34311 0.34413 0.36199 0.06271  -0.03794 -0.00619 76  LEU A CD2 
491  N N   . HIS A 70  ? 0.25197 0.29140 0.32019 0.05125  -0.01696 -0.01047 77  HIS A N   
492  C CA  . HIS A 70  ? 0.21355 0.25677 0.28756 0.05074  -0.00690 -0.00944 77  HIS A CA  
493  C C   . HIS A 70  ? 0.24815 0.27617 0.30807 0.03535  -0.01227 -0.02128 77  HIS A C   
494  O O   . HIS A 70  ? 0.23544 0.25594 0.28710 0.02565  -0.02284 -0.02885 77  HIS A O   
495  C CB  . HIS A 70  ? 0.22934 0.31353 0.34427 0.04914  -0.00836 0.00472  77  HIS A CB  
496  C CG  . HIS A 70  ? 0.22773 0.32747 0.35900 0.02984  -0.02875 0.00292  77  HIS A CG  
497  N ND1 . HIS A 70  ? 0.32422 0.45238 0.48121 0.02642  -0.04264 0.01361  77  HIS A ND1 
498  C CD2 . HIS A 70  ? 0.27536 0.36173 0.39641 0.01376  -0.03812 -0.00800 77  HIS A CD2 
499  C CE1 . HIS A 70  ? 0.28104 0.40677 0.43693 0.00725  -0.06086 0.00722  77  HIS A CE1 
500  N NE2 . HIS A 70  ? 0.30156 0.40083 0.43542 0.00109  -0.05660 -0.00600 77  HIS A NE2 
501  N N   . ILE A 71  ? 0.23033 0.25541 0.28781 0.03544  -0.00327 -0.02062 78  ILE A N   
502  C CA  . ILE A 71  ? 0.21511 0.22905 0.26223 0.02363  -0.00715 -0.02816 78  ILE A CA  
503  C C   . ILE A 71  ? 0.22295 0.25580 0.29167 0.01939  -0.00391 -0.02063 78  ILE A C   
504  O O   . ILE A 71  ? 0.23650 0.27845 0.31194 0.02903  0.00943  -0.01106 78  ILE A O   
505  C CB  . ILE A 71  ? 0.27946 0.26262 0.29233 0.02640  -0.00123 -0.03416 78  ILE A CB  
506  C CG1 . ILE A 71  ? 0.26601 0.22764 0.25806 0.02709  -0.00537 -0.03952 78  ILE A CG1 
507  C CG2 . ILE A 71  ? 0.25294 0.23188 0.26082 0.01513  -0.00678 -0.03808 78  ILE A CG2 
508  C CD1 . ILE A 71  ? 0.33069 0.25577 0.28461 0.02725  -0.00265 -0.04453 78  ILE A CD1 
509  N N   . ASN A 72  ? 0.23290 0.26886 0.31026 0.00622  -0.01424 -0.02370 79  ASN A N   
510  C CA  . ASN A 72  ? 0.17929 0.22652 0.27417 -0.00108 -0.01278 -0.01634 79  ASN A CA  
511  C C   . ASN A 72  ? 0.24891 0.27681 0.32596 -0.00556 -0.01284 -0.02195 79  ASN A C   
512  O O   . ASN A 72  ? 0.23638 0.25061 0.29984 -0.00811 -0.02004 -0.03079 79  ASN A O   
513  C CB  . ASN A 72  ? 0.18388 0.24546 0.30219 -0.01409 -0.02688 -0.01321 79  ASN A CB  
514  C CG  . ASN A 72  ? 0.20524 0.29383 0.34781 -0.01129 -0.03004 -0.00322 79  ASN A CG  
515  O OD1 . ASN A 72  ? 0.22073 0.32538 0.37396 0.00177  -0.01656 0.00705  79  ASN A OD1 
516  N ND2 . ASN A 72  ? 0.23093 0.32332 0.38007 -0.02225 -0.04792 -0.00507 79  ASN A ND2 
517  N N   . LEU A 73  ? 0.20357 0.23289 0.28205 -0.00512 -0.00376 -0.01426 80  LEU A N   
518  C CA  . LEU A 73  ? 0.19591 0.20958 0.26007 -0.00883 -0.00453 -0.01590 80  LEU A CA  
519  C C   . LEU A 73  ? 0.23207 0.25177 0.31635 -0.01917 -0.00676 -0.00791 80  LEU A C   
520  O O   . LEU A 73  ? 0.20991 0.24655 0.31303 -0.02066 0.00110  0.00450  80  LEU A O   
521  C CB  . LEU A 73  ? 0.23662 0.23940 0.27665 -0.00034 0.00684  -0.01299 80  LEU A CB  
522  C CG  . LEU A 73  ? 0.24904 0.23764 0.26325 0.00835  0.00928  -0.01988 80  LEU A CG  
523  C CD1 . LEU A 73  ? 0.25652 0.22525 0.23719 0.01540  0.01898  -0.01777 80  LEU A CD1 
524  C CD2 . LEU A 73  ? 0.25757 0.23658 0.26289 0.00262  -0.00435 -0.02972 80  LEU A CD2 
525  N N   . ILE A 74  ? 0.23065 0.23536 0.31091 -0.02590 -0.01657 -0.01347 81  ILE A N   
526  C CA  . ILE A 74  ? 0.22579 0.22520 0.31900 -0.03809 -0.02203 -0.00812 81  ILE A CA  
527  C C   . ILE A 74  ? 0.25661 0.23419 0.33468 -0.03688 -0.02054 -0.00719 81  ILE A C   
528  O O   . ILE A 74  ? 0.26479 0.22426 0.32901 -0.03328 -0.02593 -0.01521 81  ILE A O   
529  C CB  . ILE A 74  ? 0.23560 0.22704 0.33085 -0.04643 -0.03643 -0.01618 81  ILE A CB  
530  C CG1 . ILE A 74  ? 0.23930 0.25377 0.34726 -0.04482 -0.03915 -0.01621 81  ILE A CG1 
531  C CG2 . ILE A 74  ? 0.23794 0.21846 0.34330 -0.06310 -0.04475 -0.00999 81  ILE A CG2 
532  C CD1 . ILE A 74  ? 0.24950 0.25556 0.35343 -0.05272 -0.05512 -0.02386 81  ILE A CD1 
533  N N   . PRO A 75  ? 0.26483 0.24415 0.34529 -0.03805 -0.01187 0.00471  82  PRO A N   
534  C CA  . PRO A 75  ? 0.26688 0.22446 0.33416 -0.03722 -0.01153 0.00849  82  PRO A CA  
535  C C   . PRO A 75  ? 0.31644 0.25470 0.39145 -0.05043 -0.01833 0.01178  82  PRO A C   
536  O O   . PRO A 75  ? 0.33772 0.28630 0.43336 -0.06436 -0.02121 0.01821  82  PRO A O   
537  C CB  . PRO A 75  ? 0.27469 0.24055 0.33702 -0.03322 0.00120  0.02105  82  PRO A CB  
538  C CG  . PRO A 75  ? 0.29281 0.28394 0.37767 -0.03742 0.00890  0.02886  82  PRO A CG  
539  C CD  . PRO A 75  ? 0.27395 0.27567 0.36887 -0.03796 0.00017  0.01759  82  PRO A CD  
540  N N   . ASN A 76  ? 0.32803 0.23677 0.38599 -0.04615 -0.02162 0.00873  83  ASN A N   
541  C CA  . ASN A 76  ? 0.34672 0.22256 0.40106 -0.05758 -0.02798 0.01083  83  ASN A CA  
542  C C   . ASN A 76  ? 0.39828 0.25010 0.43717 -0.04885 -0.02248 0.01881  83  ASN A C   
543  O O   . ASN A 76  ? 0.40470 0.24206 0.42752 -0.03325 -0.02224 0.01337  83  ASN A O   
544  C CB  . ASN A 76  ? 0.36258 0.21357 0.40260 -0.05809 -0.03853 -0.00433 83  ASN A CB  
545  C CG  . ASN A 76  ? 0.50199 0.31065 0.53132 -0.07412 -0.04828 -0.00412 83  ASN A CG  
546  O OD1 . ASN A 76  ? 0.52516 0.30359 0.54309 -0.07358 -0.04514 0.00287  83  ASN A OD1 
547  N ND2 . ASN A 76  ? 0.58629 0.38914 0.61634 -0.08956 -0.06193 -0.01113 83  ASN A ND2 
548  N N   . LYS A 77  ? 0.40531 0.25489 0.45097 -0.05803 -0.01734 0.03427  84  LYS A N   
549  C CA  . LYS A 77  ? 0.40413 0.23153 0.43400 -0.04897 -0.01206 0.04452  84  LYS A CA  
550  C C   . LYS A 77  ? 0.51919 0.29667 0.53108 -0.04819 -0.01771 0.04105  84  LYS A C   
551  O O   . LYS A 77  ? 0.51493 0.27309 0.51077 -0.03198 -0.01410 0.04567  84  LYS A O   
552  C CB  . LYS A 77  ? 0.44762 0.28411 0.48635 -0.05844 -0.00298 0.06388  84  LYS A CB  
553  C CG  . LYS A 77  ? 0.50238 0.37705 0.54466 -0.05135 0.00719  0.06857  84  LYS A CG  
554  C CD  . LYS A 77  ? 0.55440 0.43330 0.59818 -0.05625 0.02007  0.08968  84  LYS A CD  
555  C CE  . LYS A 77  ? 0.54769 0.45518 0.58381 -0.04583 0.03265  0.09327  84  LYS A CE  
556  N NZ  . LYS A 77  ? 0.67525 0.61265 0.73358 -0.04924 0.03515  0.08725  84  LYS A NZ  
557  N N   . GLN A 78  ? 0.52421 0.27728 0.53533 -0.06471 -0.02722 0.03379  85  GLN A N   
558  C CA  . GLN A 78  ? 0.61744 0.31022 0.60016 -0.06298 -0.03229 0.02823  85  GLN A CA  
559  C C   . GLN A 78  ? 0.62069 0.30181 0.58258 -0.03718 -0.02949 0.01459  85  GLN A C   
560  O O   . GLN A 78  ? 0.65898 0.30283 0.59840 -0.01956 -0.02420 0.01653  85  GLN A O   
561  C CB  . GLN A 78  ? 0.69528 0.35961 0.67536 -0.09011 -0.04696 0.02267  85  GLN A CB  
562  C CG  . GLN A 78  ? 0.91980 0.57943 0.91756 -0.11727 -0.05029 0.04091  85  GLN A CG  
563  C CD  . GLN A 78  ? 1.12894 0.85352 1.16599 -0.12220 -0.04077 0.05674  85  GLN A CD  
564  O OE1 . GLN A 78  ? 1.11977 0.85100 1.16364 -0.12169 -0.02969 0.07466  85  GLN A OE1 
565  N NE2 . GLN A 78  ? 0.97457 0.74425 1.03358 -0.12461 -0.04349 0.05082  85  GLN A NE2 
566  N N   . ASP A 79  ? 0.52428 0.23801 0.49466 -0.03320 -0.03133 0.00315  86  ASP A N   
567  C CA  . ASP A 79  ? 0.54027 0.25247 0.49682 -0.00968 -0.02665 -0.00670 86  ASP A CA  
568  C C   . ASP A 79  ? 0.46679 0.22078 0.43875 0.00846  -0.01870 0.00221  86  ASP A C   
569  O O   . ASP A 79  ? 0.51236 0.27110 0.47962 0.02880  -0.01356 -0.00009 86  ASP A O   
570  C CB  . ASP A 79  ? 0.54784 0.27333 0.50445 -0.01564 -0.03312 -0.02148 86  ASP A CB  
571  C CG  . ASP A 79  ? 0.75505 0.43659 0.69086 -0.03454 -0.04568 -0.03112 86  ASP A CG  
572  O OD1 . ASP A 79  ? 0.78272 0.41477 0.69877 -0.04136 -0.04866 -0.02841 86  ASP A OD1 
573  O OD2 . ASP A 79  ? 0.65851 0.35268 0.59575 -0.04390 -0.05437 -0.04067 86  ASP A OD2 
574  N N   . ARG A 80  ? 0.46508 0.24800 0.45343 0.00106  -0.01790 0.01364  87  ARG A N   
575  C CA  . ARG A 80  ? 0.37137 0.19267 0.36964 0.01203  -0.01541 0.02114  87  ARG A CA  
576  C C   . ARG A 80  ? 0.37650 0.22794 0.38293 0.01653  -0.01736 0.01108  87  ARG A C   
577  O O   . ARG A 80  ? 0.38034 0.24872 0.39037 0.03102  -0.01652 0.01452  87  ARG A O   
578  C CB  . ARG A 80  ? 0.42716 0.23812 0.41842 0.03110  -0.01202 0.03367  87  ARG A CB  
579  C CG  . ARG A 80  ? 0.40788 0.25155 0.40514 0.03341  -0.01425 0.04620  87  ARG A CG  
580  C CD  . ARG A 80  ? 0.56363 0.41672 0.56299 0.05375  -0.01525 0.05878  87  ARG A CD  
581  N NE  . ARG A 80  ? 0.67496 0.49131 0.66325 0.06598  -0.01000 0.06915  87  ARG A NE  
582  C CZ  . ARG A 80  ? 0.79461 0.60898 0.78533 0.08940  -0.00687 0.07947  87  ARG A CZ  
583  N NH1 . ARG A 80  ? 0.57216 0.42513 0.58109 0.10138  -0.00894 0.08271  87  ARG A NH1 
584  N NH2 . ARG A 80  ? 0.80731 0.58075 0.78348 0.10153  -0.00090 0.08906  87  ARG A NH2 
585  N N   . THR A 81  ? 0.34100 0.20157 0.35311 0.00327  -0.02043 0.00112  88  THR A N   
586  C CA  . THR A 81  ? 0.33337 0.21874 0.35143 0.00558  -0.02216 -0.00776 88  THR A CA  
587  C C   . THR A 81  ? 0.32543 0.23619 0.35333 -0.00571 -0.02332 -0.00836 88  THR A C   
588  O O   . THR A 81  ? 0.33923 0.24821 0.37279 -0.01716 -0.02261 -0.00525 88  THR A O   
589  C CB  . THR A 81  ? 0.35024 0.21671 0.35919 0.00563  -0.02411 -0.02032 88  THR A CB  
590  O OG1 . THR A 81  ? 0.37962 0.22838 0.38700 -0.01147 -0.03003 -0.02379 88  THR A OG1 
591  C CG2 . THR A 81  ? 0.40861 0.24593 0.40085 0.02303  -0.01872 -0.02051 88  THR A CG2 
592  N N   . LEU A 82  ? 0.26986 0.20337 0.29988 -0.00189 -0.02431 -0.01067 89  LEU A N   
593  C CA  . LEU A 82  ? 0.27388 0.22420 0.30711 -0.00840 -0.02403 -0.01396 89  LEU A CA  
594  C C   . LEU A 82  ? 0.27713 0.23463 0.31293 -0.00712 -0.02691 -0.02358 89  LEU A C   
595  O O   . LEU A 82  ? 0.26843 0.23189 0.30303 -0.00056 -0.02830 -0.02412 89  LEU A O   
596  C CB  . LEU A 82  ? 0.32683 0.28678 0.35023 -0.00661 -0.02376 -0.00858 89  LEU A CB  
597  C CG  . LEU A 82  ? 0.23957 0.20756 0.25766 -0.00932 -0.02119 -0.01289 89  LEU A CG  
598  C CD1 . LEU A 82  ? 0.28240 0.25253 0.30898 -0.01291 -0.01290 -0.00938 89  LEU A CD1 
599  C CD2 . LEU A 82  ? 0.28881 0.25399 0.28487 -0.00805 -0.02339 -0.00978 89  LEU A CD2 
600  N N   . THR A 83  ? 0.26773 0.22741 0.30917 -0.01343 -0.02792 -0.02852 90  THR A N   
601  C CA  . THR A 83  ? 0.26320 0.22653 0.30393 -0.01229 -0.03113 -0.03668 90  THR A CA  
602  C C   . THR A 83  ? 0.30221 0.28130 0.34637 -0.01348 -0.02983 -0.03710 90  THR A C   
603  O O   . THR A 83  ? 0.27103 0.25720 0.32270 -0.01668 -0.02660 -0.03258 90  THR A O   
604  C CB  . THR A 83  ? 0.27778 0.22658 0.31730 -0.01832 -0.03671 -0.04165 90  THR A CB  
605  O OG1 . THR A 83  ? 0.33066 0.25364 0.35804 -0.01480 -0.03656 -0.04267 90  THR A OG1 
606  C CG2 . THR A 83  ? 0.30447 0.25577 0.33809 -0.01637 -0.04040 -0.04920 90  THR A CG2 
607  N N   . ILE A 84  ? 0.25201 0.23565 0.29056 -0.00979 -0.03073 -0.04057 91  ILE A N   
608  C CA  . ILE A 84  ? 0.24686 0.23656 0.28267 -0.00935 -0.02950 -0.04183 91  ILE A CA  
609  C C   . ILE A 84  ? 0.28854 0.28024 0.32629 -0.00881 -0.03291 -0.04652 91  ILE A C   
610  O O   . ILE A 84  ? 0.28427 0.27368 0.31684 -0.00662 -0.03419 -0.04891 91  ILE A O   
611  C CB  . ILE A 84  ? 0.29455 0.28173 0.31794 -0.00906 -0.03037 -0.04092 91  ILE A CB  
612  C CG1 . ILE A 84  ? 0.34717 0.32905 0.36108 -0.00993 -0.02939 -0.03616 91  ILE A CG1 
613  C CG2 . ILE A 84  ? 0.28252 0.26514 0.29635 -0.00797 -0.02903 -0.04346 91  ILE A CG2 
614  C CD1 . ILE A 84  ? 0.43037 0.41538 0.44885 -0.00996 -0.03337 -0.03118 91  ILE A CD1 
615  N N   . VAL A 85  ? 0.21190 0.21027 0.25769 -0.00984 -0.03390 -0.04557 92  VAL A N   
616  C CA  . VAL A 85  ? 0.22886 0.22916 0.27449 -0.00995 -0.03990 -0.04854 92  VAL A CA  
617  C C   . VAL A 85  ? 0.26654 0.27246 0.31101 -0.00434 -0.03688 -0.04632 92  VAL A C   
618  O O   . VAL A 85  ? 0.26928 0.28148 0.32019 -0.00053 -0.03088 -0.04110 92  VAL A O   
619  C CB  . VAL A 85  ? 0.27622 0.28125 0.33391 -0.01742 -0.04801 -0.04652 92  VAL A CB  
620  C CG1 . VAL A 85  ? 0.32412 0.32759 0.37474 -0.01858 -0.05794 -0.04983 92  VAL A CG1 
621  C CG2 . VAL A 85  ? 0.35738 0.34779 0.41181 -0.02352 -0.05036 -0.04830 92  VAL A CG2 
622  N N   . ASP A 86  ? 0.25095 0.25221 0.28508 -0.00200 -0.03922 -0.04900 93  ASP A N   
623  C CA  . ASP A 86  ? 0.25236 0.25456 0.28394 0.00400  -0.03732 -0.04588 93  ASP A CA  
624  C C   . ASP A 86  ? 0.28930 0.29404 0.31795 0.00461  -0.04491 -0.04606 93  ASP A C   
625  O O   . ASP A 86  ? 0.28768 0.28678 0.30740 0.00124  -0.04945 -0.05050 93  ASP A O   
626  C CB  . ASP A 86  ? 0.28564 0.27273 0.30079 0.00552  -0.03259 -0.04663 93  ASP A CB  
627  C CG  . ASP A 86  ? 0.33452 0.31825 0.34283 0.00083  -0.03474 -0.04817 93  ASP A CG  
628  O OD1 . ASP A 86  ? 0.33310 0.31670 0.33657 0.00283  -0.03644 -0.04744 93  ASP A OD1 
629  O OD2 . ASP A 86  ? 0.30832 0.29152 0.31654 -0.00385 -0.03414 -0.04784 93  ASP A OD2 
630  N N   . THR A 87  ? 0.24844 0.25863 0.28033 0.01115  -0.04530 -0.04051 94  THR A N   
631  C CA  . THR A 87  ? 0.21819 0.23021 0.24398 0.01275  -0.05376 -0.03868 94  THR A CA  
632  C C   . THR A 87  ? 0.30105 0.29831 0.30933 0.01863  -0.04841 -0.03726 94  THR A C   
633  O O   . THR A 87  ? 0.28603 0.28424 0.29134 0.02542  -0.05116 -0.03124 94  THR A O   
634  C CB  . THR A 87  ? 0.24758 0.28139 0.29424 0.01555  -0.06100 -0.02941 94  THR A CB  
635  O OG1 . THR A 87  ? 0.25088 0.29068 0.30906 0.02663  -0.04929 -0.02200 94  THR A OG1 
636  C CG2 . THR A 87  ? 0.24919 0.29612 0.31271 0.00385  -0.07050 -0.02936 94  THR A CG2 
637  N N   . GLY A 88  ? 0.27395 0.25813 0.27193 0.01495  -0.04190 -0.04070 95  GLY A N   
638  C CA  . GLY A 88  ? 0.32684 0.29553 0.30977 0.01565  -0.03800 -0.03767 95  GLY A CA  
639  C C   . GLY A 88  ? 0.26767 0.23608 0.23949 0.01497  -0.03976 -0.03603 95  GLY A C   
640  O O   . GLY A 88  ? 0.30060 0.27554 0.26947 0.01648  -0.04564 -0.03816 95  GLY A O   
641  N N   . ILE A 89  ? 0.27193 0.22991 0.23431 0.01161  -0.03478 -0.03137 96  ILE A N   
642  C CA  . ILE A 89  ? 0.28642 0.24308 0.23560 0.01331  -0.03271 -0.02637 96  ILE A CA  
643  C C   . ILE A 89  ? 0.31607 0.28198 0.26360 0.01351  -0.02922 -0.02940 96  ILE A C   
644  O O   . ILE A 89  ? 0.33620 0.29878 0.26594 0.01879  -0.02685 -0.02740 96  ILE A O   
645  C CB  . ILE A 89  ? 0.33757 0.28189 0.28070 0.00750  -0.02745 -0.01723 96  ILE A CB  
646  C CG1 . ILE A 89  ? 0.36796 0.30906 0.29491 0.01163  -0.02374 -0.00894 96  ILE A CG1 
647  C CG2 . ILE A 89  ? 0.32874 0.28053 0.28475 -0.00398 -0.02408 -0.01483 96  ILE A CG2 
648  C CD1 . ILE A 89  ? 0.41714 0.34021 0.33598 0.00631  -0.02081 0.00191  96  ILE A CD1 
649  N N   . GLY A 90  ? 0.29590 0.26968 0.25704 0.01011  -0.02780 -0.03368 97  GLY A N   
650  C CA  . GLY A 90  ? 0.32158 0.29977 0.27931 0.01410  -0.02200 -0.03550 97  GLY A CA  
651  C C   . GLY A 90  ? 0.31686 0.30397 0.27753 0.01456  -0.01018 -0.02437 97  GLY A C   
652  O O   . GLY A 90  ? 0.32574 0.31557 0.29336 0.00717  -0.00903 -0.01514 97  GLY A O   
653  N N   . MET A 91  ? 0.30445 0.29518 0.25986 0.02357  -0.00051 -0.02367 98  MET A N   
654  C CA  . MET A 91  ? 0.30330 0.31062 0.26759 0.02721  0.01433  -0.00909 98  MET A CA  
655  C C   . MET A 91  ? 0.33139 0.32771 0.26618 0.04411  0.02763  -0.00931 98  MET A C   
656  O O   . MET A 91  ? 0.34414 0.31988 0.25535 0.05267  0.02541  -0.02209 98  MET A O   
657  C CB  . MET A 91  ? 0.30231 0.33208 0.29675 0.02513  0.01778  -0.00215 98  MET A CB  
658  C CG  . MET A 91  ? 0.31763 0.35290 0.33272 0.00862  0.00402  -0.00258 98  MET A CG  
659  S SD  . MET A 91  ? 0.29036 0.35199 0.33663 0.00669  0.00441  0.00668  98  MET A SD  
660  C CE  . MET A 91  ? 0.31156 0.35288 0.34497 0.01290  -0.00200 -0.01138 98  MET A CE  
661  N N   . THR A 92  ? 0.31150 0.31819 0.24439 0.04837  0.04183  0.00563  99  THR A N   
662  C CA  . THR A 92  ? 0.34609 0.34277 0.24808 0.06789  0.06016  0.00858  99  THR A CA  
663  C C   . THR A 92  ? 0.34789 0.36166 0.26672 0.08139  0.07702  0.01609  99  THR A C   
664  O O   . THR A 92  ? 0.34702 0.38711 0.30651 0.07308  0.07330  0.02280  99  THR A O   
665  C CB  . THR A 92  ? 0.40859 0.41369 0.30481 0.06888  0.07275  0.02574  99  THR A CB  
666  O OG1 . THR A 92  ? 0.39286 0.43562 0.33545 0.05884  0.08019  0.04667  99  THR A OG1 
667  C CG2 . THR A 92  ? 0.40850 0.39632 0.28953 0.05749  0.05646  0.02098  99  THR A CG2 
668  N N   . LYS A 93  ? 0.31876 0.36172 0.26461 0.07519  -0.02539 -0.02991 100 LYS A N   
669  C CA  . LYS A 93  ? 0.32886 0.35831 0.27862 0.06773  -0.00771 -0.03900 100 LYS A CA  
670  C C   . LYS A 93  ? 0.32477 0.33852 0.27185 0.06895  0.00434  -0.01875 100 LYS A C   
671  O O   . LYS A 93  ? 0.32435 0.32695 0.29202 0.06685  0.01475  -0.02021 100 LYS A O   
672  C CB  . LYS A 93  ? 0.34917 0.39390 0.27453 0.06495  -0.00459 -0.05805 100 LYS A CB  
673  C CG  . LYS A 93  ? 0.35747 0.38858 0.29123 0.06297  0.01316  -0.07243 100 LYS A CG  
674  C CD  . LYS A 93  ? 0.38447 0.43221 0.29280 0.06161  0.01844  -0.09580 100 LYS A CD  
675  C CE  . LYS A 93  ? 0.44297 0.47345 0.36659 0.06495  0.03457  -0.11574 100 LYS A CE  
676  N NZ  . LYS A 93  ? 0.51382 0.56527 0.41219 0.06718  0.04569  -0.13582 100 LYS A NZ  
677  N N   . ALA A 94  ? 0.36796 0.38079 0.28856 0.07126  0.00239  0.00097  101 ALA A N   
678  C CA  . ALA A 94  ? 0.37840 0.37765 0.29705 0.06607  0.01502  0.01873  101 ALA A CA  
679  C C   . ALA A 94  ? 0.35864 0.34079 0.30719 0.06583  0.01387  0.02498  101 ALA A C   
680  O O   . ALA A 94  ? 0.38958 0.36973 0.35319 0.05961  0.02513  0.02688  101 ALA A O   
681  C CB  . ALA A 94  ? 0.41570 0.40684 0.29486 0.06468  0.01327  0.04153  101 ALA A CB  
682  N N   . ASP A 95  ? 0.35167 0.32846 0.31024 0.07304  0.00009  0.02548  102 ASP A N   
683  C CA  . ASP A 95  ? 0.38089 0.34670 0.36661 0.07243  0.00012  0.02635  102 ASP A CA  
684  C C   . ASP A 95  ? 0.33214 0.30447 0.34128 0.06638  0.00779  0.01366  102 ASP A C   
685  O O   . ASP A 95  ? 0.33926 0.30604 0.36162 0.06186  0.01417  0.01758  102 ASP A O   
686  C CB  . ASP A 95  ? 0.36862 0.33827 0.36459 0.08321  -0.01460 0.02312  102 ASP A CB  
687  C CG  . ASP A 95  ? 0.43568 0.38731 0.41082 0.09530  -0.02443 0.04030  102 ASP A CG  
688  O OD1 . ASP A 95  ? 0.53054 0.45566 0.48632 0.08955  -0.01669 0.05711  102 ASP A OD1 
689  O OD2 . ASP A 95  ? 0.43561 0.39931 0.41446 0.11061  -0.04015 0.03712  102 ASP A OD2 
690  N N   . LEU A 96  ? 0.28758 0.26935 0.30004 0.06581  0.00622  -0.00152 103 LEU A N   
691  C CA  . LEU A 96  ? 0.31273 0.28833 0.34178 0.06128  0.01277  -0.00987 103 LEU A CA  
692  C C   . LEU A 96  ? 0.35245 0.32532 0.38223 0.06341  0.02304  -0.00524 103 LEU A C   
693  O O   . LEU A 96  ? 0.31845 0.28670 0.36201 0.06316  0.02581  -0.00076 103 LEU A O   
694  C CB  . LEU A 96  ? 0.33118 0.30758 0.35915 0.05760  0.01134  -0.02814 103 LEU A CB  
695  C CG  . LEU A 96  ? 0.32782 0.31512 0.36680 0.05030  0.00323  -0.03832 103 LEU A CG  
696  C CD1 . LEU A 96  ? 0.32351 0.31124 0.35891 0.04156  0.00323  -0.05989 103 LEU A CD1 
697  C CD2 . LEU A 96  ? 0.26681 0.24668 0.32398 0.04308  0.00699  -0.03360 103 LEU A CD2 
698  N N   . ILE A 97  ? 0.29386 0.27621 0.30876 0.06584  0.02855  -0.00714 104 ILE A N   
699  C CA  . ILE A 97  ? 0.29414 0.28653 0.31552 0.06910  0.03945  -0.00742 104 ILE A CA  
700  C C   . ILE A 97  ? 0.35392 0.35300 0.38371 0.06305  0.04208  0.00695  104 ILE A C   
701  O O   . ILE A 97  ? 0.33533 0.34608 0.38292 0.06560  0.04598  0.00694  104 ILE A O   
702  C CB  . ILE A 97  ? 0.35071 0.35974 0.35302 0.07034  0.04757  -0.01589 104 ILE A CB  
703  C CG1 . ILE A 97  ? 0.32779 0.33009 0.32482 0.07555  0.04603  -0.03708 104 ILE A CG1 
704  C CG2 . ILE A 97  ? 0.33012 0.36298 0.34345 0.07267  0.06083  -0.01718 104 ILE A CG2 
705  C CD1 . ILE A 97  ? 0.40022 0.42154 0.36980 0.07434  0.05114  -0.04811 104 ILE A CD1 
706  N N   . ASN A 98  ? 0.30340 0.29423 0.32066 0.05575  0.03871  0.01829  105 ASN A N   
707  C CA  . ASN A 98  ? 0.34541 0.33428 0.36798 0.04590  0.04188  0.02896  105 ASN A CA  
708  C C   . ASN A 98  ? 0.32763 0.30808 0.36789 0.04628  0.03494  0.02802  105 ASN A C   
709  O O   . ASN A 98  ? 0.32846 0.29299 0.36641 0.04240  0.03105  0.03284  105 ASN A O   
710  C CB  . ASN A 98  ? 0.40342 0.37378 0.40081 0.03926  0.04140  0.04236  105 ASN A CB  
711  C CG  . ASN A 98  ? 0.71960 0.68587 0.71679 0.02245  0.05087  0.05148  105 ASN A CG  
712  O OD1 . ASN A 98  ? 0.67350 0.66303 0.69222 0.01524  0.05754  0.04516  105 ASN A OD1 
713  N ND2 . ASN A 98  ? 0.71629 0.65214 0.68846 0.01571  0.05070  0.06649  105 ASN A ND2 
714  N N   . ASN A 99  ? 0.30639 0.29489 0.36136 0.05197  0.03373  0.02172  106 ASN A N   
715  C CA  . ASN A 99  ? 0.28318 0.26945 0.34974 0.05025  0.02910  0.02195  106 ASN A CA  
716  C C   . ASN A 99  ? 0.32956 0.30223 0.39361 0.04924  0.02328  0.01965  106 ASN A C   
717  O O   . ASN A 99  ? 0.29680 0.26828 0.36596 0.04471  0.02178  0.01900  106 ASN A O   
718  C CB  . ASN A 99  ? 0.27809 0.27804 0.35299 0.04119  0.03141  0.02466  106 ASN A CB  
719  C CG  . ASN A 99  ? 0.24079 0.26923 0.32656 0.04349  0.03599  0.02374  106 ASN A CG  
720  O OD1 . ASN A 99  ? 0.27806 0.31375 0.37050 0.05660  0.03365  0.02225  106 ASN A OD1 
721  N ND2 . ASN A 99  ? 0.29667 0.34111 0.38534 0.03088  0.04289  0.02404  106 ASN A ND2 
722  N N   . LEU A 100 ? 0.28376 0.25196 0.34206 0.05363  0.02014  0.01477  107 LEU A N   
723  C CA  . LEU A 100 ? 0.31802 0.28650 0.38043 0.05395  0.01403  0.00871  107 LEU A CA  
724  C C   . LEU A 100 ? 0.32263 0.28611 0.38462 0.05747  0.01002  0.01183  107 LEU A C   
725  O O   . LEU A 100 ? 0.32348 0.29123 0.39685 0.05812  0.00799  0.00562  107 LEU A O   
726  C CB  . LEU A 100 ? 0.28055 0.25219 0.35325 0.04720  0.01603  0.00442  107 LEU A CB  
727  C CG  . LEU A 100 ? 0.32306 0.28467 0.39240 0.04526  0.01937  0.00365  107 LEU A CG  
728  C CD1 . LEU A 100 ? 0.37034 0.32756 0.43921 0.04735  0.02216  0.01323  107 LEU A CD1 
729  C CD2 . LEU A 100 ? 0.41802 0.37762 0.49090 0.03485  0.02025  -0.00437 107 LEU A CD2 
730  N N   . GLY A 101 ? 0.30338 0.25520 0.35042 0.05972  0.01007  0.02117  108 GLY A N   
731  C CA  . GLY A 101 ? 0.35442 0.28704 0.39524 0.06515  0.00551  0.02718  108 GLY A CA  
732  C C   . GLY A 101 ? 0.36126 0.28064 0.40995 0.05746  0.01069  0.02627  108 GLY A C   
733  O O   . GLY A 101 ? 0.46910 0.36661 0.51704 0.06406  0.00685  0.02616  108 GLY A O   
734  N N   . THR A 102 ? 0.37020 0.30251 0.42635 0.04523  0.01816  0.02402  109 THR A N   
735  C CA  . THR A 102 ? 0.38636 0.31504 0.44999 0.03470  0.02218  0.01890  109 THR A CA  
736  C C   . THR A 102 ? 0.37088 0.29736 0.42887 0.01974  0.02978  0.02544  109 THR A C   
737  O O   . THR A 102 ? 0.36205 0.29942 0.41370 0.01826  0.03370  0.03270  109 THR A O   
738  C CB  . THR A 102 ? 0.36527 0.32020 0.44122 0.03102  0.02268  0.01037  109 THR A CB  
739  O OG1 . THR A 102 ? 0.34255 0.31648 0.41943 0.02853  0.02479  0.01591  109 THR A OG1 
740  C CG2 . THR A 102 ? 0.40028 0.36328 0.48147 0.03940  0.01903  0.00418  109 THR A CG2 
741  N N   . ILE A 103 ? 0.28888 0.20505 0.35056 0.00650  0.03326  0.01940  110 ILE A N   
742  C CA  . ILE A 103 ? 0.31690 0.24219 0.37963 -0.01441 0.04177  0.02069  110 ILE A CA  
743  C C   . ILE A 103 ? 0.35886 0.33023 0.43963 -0.01964 0.04049  0.01064  110 ILE A C   
744  O O   . ILE A 103 ? 0.31099 0.29304 0.39948 -0.03577 0.04200  -0.00038 110 ILE A O   
745  C CB  . ILE A 103 ? 0.43444 0.31789 0.48891 -0.03044 0.04675  0.01875  110 ILE A CB  
746  C CG1 . ILE A 103 ? 0.42381 0.29462 0.48659 -0.02712 0.04241  0.00138  110 ILE A CG1 
747  C CG2 . ILE A 103 ? 0.45697 0.29236 0.48673 -0.02391 0.04711  0.03640  110 ILE A CG2 
748  C CD1 . ILE A 103 ? 0.60251 0.42854 0.65929 -0.04504 0.04841  -0.00606 110 ILE A CD1 
749  N N   . ALA A 104 ? 0.29629 0.29358 0.38185 -0.00557 0.03671  0.01435  111 ALA A N   
750  C CA  . ALA A 104 ? 0.27430 0.30647 0.37094 -0.00276 0.03136  0.00959  111 ALA A CA  
751  C C   . ALA A 104 ? 0.21853 0.29066 0.32928 -0.01565 0.03312  0.00462  111 ALA A C   
752  O O   . ALA A 104 ? 0.24663 0.34735 0.36398 -0.01865 0.02668  -0.00200 111 ALA A O   
753  C CB  . ALA A 104 ? 0.30612 0.34341 0.40161 0.01594  0.02742  0.01675  111 ALA A CB  
754  N N   . LYS A 105 ? 0.24697 0.32886 0.36223 -0.02453 0.04172  0.00675  112 LYS A N   
755  C CA  . LYS A 105 ? 0.28004 0.41284 0.41528 -0.03888 0.04423  -0.00150 112 LYS A CA  
756  C C   . LYS A 105 ? 0.31641 0.44822 0.45409 -0.06501 0.04504  -0.01433 112 LYS A C   
757  O O   . LYS A 105 ? 0.25116 0.42661 0.40236 -0.06984 0.03733  -0.02521 112 LYS A O   
758  C CB  . LYS A 105 ? 0.25024 0.39859 0.38981 -0.04766 0.05740  0.00130  112 LYS A CB  
759  C CG  . LYS A 105 ? 0.40155 0.61800 0.56944 -0.06171 0.06111  -0.01031 112 LYS A CG  
760  C CD  . LYS A 105 ? 0.32876 0.56968 0.50177 -0.07010 0.07745  -0.00935 112 LYS A CD  
761  C CE  . LYS A 105 ? 0.59188 0.91377 0.80027 -0.08529 0.08234  -0.02472 112 LYS A CE  
762  N NZ  . LYS A 105 ? 0.67487 1.02445 0.89933 -0.09789 0.07056  -0.03687 112 LYS A NZ  
763  N N   . SER A 106 ? 0.29595 0.37598 0.41867 -0.08103 0.05318  -0.01395 113 SER A N   
764  C CA  . SER A 106 ? 0.30929 0.37786 0.43334 -0.10680 0.05536  -0.02993 113 SER A CA  
765  C C   . SER A 106 ? 0.30940 0.37231 0.42939 -0.09601 0.04507  -0.04076 113 SER A C   
766  O O   . SER A 106 ? 0.35640 0.44123 0.48270 -0.11320 0.04258  -0.05961 113 SER A O   
767  C CB  . SER A 106 ? 0.42035 0.42220 0.52613 -0.12398 0.06685  -0.02457 113 SER A CB  
768  O OG  . SER A 106 ? 0.47335 0.42223 0.56030 -0.09963 0.06264  -0.01295 113 SER A OG  
769  N N   . GLY A 107 ? 0.28771 0.32700 0.39694 -0.07043 0.04005  -0.03141 114 GLY A N   
770  C CA  . GLY A 107 ? 0.32757 0.37001 0.43233 -0.06200 0.03328  -0.04159 114 GLY A CA  
771  C C   . GLY A 107 ? 0.31545 0.41578 0.42556 -0.06060 0.02410  -0.04451 114 GLY A C   
772  O O   . GLY A 107 ? 0.30060 0.41895 0.40674 -0.06955 0.02035  -0.06007 114 GLY A O   
773  N N   . THR A 108 ? 0.27801 0.40772 0.39502 -0.04721 0.01959  -0.02996 115 THR A N   
774  C CA  . THR A 108 ? 0.26230 0.44502 0.38335 -0.04059 0.00786  -0.02866 115 THR A CA  
775  C C   . THR A 108 ? 0.29033 0.51993 0.42498 -0.06333 0.00498  -0.04685 115 THR A C   
776  O O   . THR A 108 ? 0.26894 0.53538 0.39820 -0.06596 -0.00562 -0.05476 115 THR A O   
777  C CB  . THR A 108 ? 0.26075 0.46005 0.39051 -0.01843 0.00409  -0.01207 115 THR A CB  
778  O OG1 . THR A 108 ? 0.25374 0.41042 0.36954 -0.00120 0.00611  0.00118  115 THR A OG1 
779  C CG2 . THR A 108 ? 0.25977 0.51097 0.39376 -0.00574 -0.01093 -0.00797 115 THR A CG2 
780  N N   . LYS A 109 ? 0.25664 0.48796 0.40681 -0.08291 0.01473  -0.05412 116 LYS A N   
781  C CA  . LYS A 109 ? 0.25171 0.52903 0.41812 -0.11174 0.01422  -0.07523 116 LYS A CA  
782  C C   . LYS A 109 ? 0.30914 0.56682 0.46204 -0.13134 0.01415  -0.09677 116 LYS A C   
783  O O   . LYS A 109 ? 0.37725 0.68673 0.53416 -0.14399 0.00459  -0.11456 116 LYS A O   
784  C CB  . LYS A 109 ? 0.24804 0.51900 0.42900 -0.13528 0.02968  -0.07761 116 LYS A CB  
785  C CG  . LYS A 109 ? 0.47177 0.78860 0.67261 -0.17377 0.03305  -0.10192 116 LYS A CG  
786  C CD  . LYS A 109 ? 0.45786 0.74379 0.66219 -0.20396 0.05365  -0.10117 116 LYS A CD  
787  C CE  . LYS A 109 ? 0.50464 0.80536 0.71306 -0.23828 0.05789  -0.12197 116 LYS A CE  
788  N NZ  . LYS A 109 ? 0.52327 0.91296 0.75107 -0.23095 0.04266  -0.13456 116 LYS A NZ  
789  N N   . ALA A 110 ? 0.33268 0.51894 0.46972 -0.13203 0.02387  -0.09761 117 ALA A N   
790  C CA  . ALA A 110 ? 0.35165 0.51455 0.47743 -0.14665 0.02574  -0.12223 117 ALA A CA  
791  C C   . ALA A 110 ? 0.33664 0.53297 0.44826 -0.13193 0.01456  -0.12596 117 ALA A C   
792  O O   . ALA A 110 ? 0.40839 0.63291 0.51455 -0.14861 0.01073  -0.15074 117 ALA A O   
793  C CB  . ALA A 110 ? 0.37105 0.45100 0.48581 -0.14181 0.03689  -0.12081 117 ALA A CB  
794  N N   . PHE A 111 ? 0.32715 0.51961 0.42947 -0.10372 0.01032  -0.10225 118 PHE A N   
795  C CA  . PHE A 111 ? 0.26506 0.48711 0.34835 -0.09235 0.00140  -0.09939 118 PHE A CA  
796  C C   . PHE A 111 ? 0.36378 0.65667 0.44757 -0.09793 -0.01366 -0.10195 118 PHE A C   
797  O O   . PHE A 111 ? 0.34945 0.67431 0.41543 -0.10615 -0.02006 -0.11614 118 PHE A O   
798  C CB  . PHE A 111 ? 0.25881 0.46009 0.33401 -0.06593 0.00081  -0.07093 118 PHE A CB  
799  C CG  . PHE A 111 ? 0.30591 0.52498 0.35607 -0.05728 -0.00470 -0.06255 118 PHE A CG  
800  C CD1 . PHE A 111 ? 0.30353 0.53382 0.33640 -0.06950 -0.00148 -0.08317 118 PHE A CD1 
801  C CD2 . PHE A 111 ? 0.31825 0.53723 0.35933 -0.03795 -0.01096 -0.03416 118 PHE A CD2 
802  C CE1 . PHE A 111 ? 0.36955 0.61696 0.37408 -0.06524 -0.00367 -0.07317 118 PHE A CE1 
803  C CE2 . PHE A 111 ? 0.42703 0.65343 0.43926 -0.03384 -0.01397 -0.02214 118 PHE A CE2 
804  C CZ  . PHE A 111 ? 0.30099 0.54433 0.29355 -0.04882 -0.00980 -0.04047 118 PHE A CZ  
805  N N   . MET A 112 ? 0.33726 0.66128 0.44184 -0.09289 -0.01984 -0.09045 119 MET A N   
806  C CA  . MET A 112 ? 0.38133 0.78233 0.49328 -0.09397 -0.03700 -0.09383 119 MET A CA  
807  C C   . MET A 112 ? 0.42375 0.85931 0.54127 -0.12836 -0.03748 -0.12921 119 MET A C   
808  O O   . MET A 112 ? 0.35804 0.84871 0.46259 -0.13272 -0.05210 -0.13982 119 MET A O   
809  C CB  . MET A 112 ? 0.31806 0.74859 0.46013 -0.08223 -0.03998 -0.08141 119 MET A CB  
810  C CG  . MET A 112 ? 0.31569 0.72865 0.45216 -0.04529 -0.04502 -0.05008 119 MET A CG  
811  S SD  . MET A 112 ? 0.44241 0.83970 0.53748 -0.02246 -0.05720 -0.02764 119 MET A SD  
812  C CE  . MET A 112 ? 0.67671 1.09228 0.78413 0.01715  -0.07101 0.00013  119 MET A CE  
813  N N   . GLU A 113 ? 0.36345 0.76485 0.49717 -0.15453 -0.02178 -0.14773 120 GLU A N   
814  C CA  . GLU A 113 ? 0.40990 0.82707 0.54722 -0.18970 -0.01854 -0.18270 120 GLU A CA  
815  C C   . GLU A 113 ? 0.60912 1.00843 0.71799 -0.19515 -0.01779 -0.20356 120 GLU A C   
816  O O   . GLU A 113 ? 0.50975 0.93924 0.60851 -0.20812 -0.02065 -0.22410 120 GLU A O   
817  C CB  . GLU A 113 ? 0.63625 0.99559 0.78730 -0.21319 0.00113  -0.19044 120 GLU A CB  
818  C CG  . GLU A 113 ? 0.55910 0.94948 0.73437 -0.21815 0.00396  -0.17968 120 GLU A CG  
819  C CD  . GLU A 113 ? 0.78783 1.11103 0.96763 -0.23659 0.02427  -0.17533 120 GLU A CD  
820  O OE1 . GLU A 113 ? 0.68926 0.93796 0.85519 -0.23674 0.03350  -0.17406 120 GLU A OE1 
821  O OE2 . GLU A 113 ? 0.71787 1.06206 0.91254 -0.24956 0.03096  -0.17236 120 GLU A OE2 
822  N N   . ALA A 114 ? 0.45093 0.79430 0.54333 -0.17852 -0.01002 -0.19454 121 ALA A N   
823  C CA  . ALA A 114 ? 0.49257 0.82444 0.56008 -0.18223 -0.00641 -0.21741 121 ALA A CA  
824  C C   . ALA A 114 ? 0.56455 0.96387 0.60631 -0.17370 -0.02246 -0.21187 121 ALA A C   
825  O O   . ALA A 114 ? 0.53989 0.96006 0.56240 -0.18525 -0.02161 -0.23573 121 ALA A O   
826  C CB  . ALA A 114 ? 0.43245 0.69439 0.49253 -0.16170 0.00698  -0.20681 121 ALA A CB  
827  N N   . LEU A 115 ? 0.35151 0.77326 0.38878 -0.14807 -0.03417 -0.17427 122 LEU A N   
828  C CA  . LEU A 115 ? 0.36552 0.84263 0.37165 -0.13748 -0.05101 -0.16121 122 LEU A CA  
829  C C   . LEU A 115 ? 0.44000 0.98205 0.44903 -0.14985 -0.06383 -0.17639 122 LEU A C   
830  O O   . LEU A 115 ? 0.50766 1.08217 0.48712 -0.15054 -0.06971 -0.17971 122 LEU A O   
831  C CB  . LEU A 115 ? 0.34503 0.81631 0.34741 -0.10505 -0.06001 -0.11575 122 LEU A CB  
832  C CG  . LEU A 115 ? 0.41836 0.82050 0.41225 -0.09063 -0.04403 -0.09691 122 LEU A CG  
833  C CD1 . LEU A 115 ? 0.36480 0.75690 0.35706 -0.06273 -0.05245 -0.05723 122 LEU A CD1 
834  C CD2 . LEU A 115 ? 0.35389 0.75159 0.31136 -0.09707 -0.03619 -0.10487 122 LEU A CD2 
835  N N   . GLN A 116 ? 0.49739 1.05241 0.54145 -0.15765 -0.06394 -0.18223 123 GLN A N   
836  C CA  . GLN A 116 ? 0.52742 1.13644 0.57740 -0.16966 -0.07084 -0.19844 123 GLN A CA  
837  C C   . GLN A 116 ? 0.51676 1.11241 0.55688 -0.19843 -0.05766 -0.23656 123 GLN A C   
838  O O   . GLN A 116 ? 0.60584 1.25134 0.63733 -0.20760 -0.06476 -0.25146 123 GLN A O   
839  C CB  . GLN A 116 ? 0.60669 1.23259 0.69596 -0.17428 -0.07011 -0.19814 123 GLN A CB  
840  C CG  . GLN A 116 ? 0.69331 1.35042 0.79539 -0.14123 -0.08541 -0.16460 123 GLN A CG  
841  C CD  . GLN A 116 ? 0.88919 1.58526 0.96203 -0.11392 -0.10667 -0.14253 123 GLN A CD  
842  O OE1 . GLN A 116 ? 0.83185 1.58449 0.90340 -0.11246 -0.11950 -0.14821 123 GLN A OE1 
843  N NE2 . GLN A 116 ? 0.82536 1.48898 0.87262 -0.09265 -0.11035 -0.11563 123 GLN A NE2 
844  N N   . ALA A 117 ? 0.55419 1.08224 0.59625 -0.21040 -0.03896 -0.25288 124 ALA A N   
845  C CA  . ALA A 117 ? 0.64341 1.14584 0.67888 -0.23281 -0.02470 -0.28925 124 ALA A CA  
846  C C   . ALA A 117 ? 0.55592 1.05471 0.55938 -0.22536 -0.02099 -0.29705 124 ALA A C   
847  O O   . ALA A 117 ? 0.58930 1.06167 0.58892 -0.23885 -0.00749 -0.32795 124 ALA A O   
848  C CB  . ALA A 117 ? 0.68808 1.11129 0.74375 -0.24602 -0.00620 -0.30164 124 ALA A CB  
849  N N   . GLY A 118 ? 0.51201 1.03509 0.49209 -0.20428 -0.03144 -0.26929 125 GLY A N   
850  C CA  . GLY A 118 ? 0.52240 1.05223 0.46866 -0.19992 -0.02668 -0.27347 125 GLY A CA  
851  C C   . GLY A 118 ? 0.49602 0.97621 0.43403 -0.18775 -0.01363 -0.26714 125 GLY A C   
852  O O   . GLY A 118 ? 0.54759 1.02785 0.46492 -0.18823 -0.00283 -0.27954 125 GLY A O   
853  N N   . ALA A 119 ? 0.45508 0.89751 0.41062 -0.17733 -0.01345 -0.24990 126 ALA A N   
854  C CA  . ALA A 119 ? 0.51263 0.91530 0.45964 -0.16433 -0.00226 -0.24318 126 ALA A CA  
855  C C   . ALA A 119 ? 0.61414 1.04173 0.53001 -0.14735 -0.01014 -0.20275 126 ALA A C   
856  O O   . ALA A 119 ? 0.52051 0.99164 0.42215 -0.14294 -0.02936 -0.17938 126 ALA A O   
857  C CB  . ALA A 119 ? 0.53363 0.87280 0.51638 -0.15294 0.00489  -0.22882 126 ALA A CB  
858  N N   . ASP A 120 ? 0.57883 0.97752 0.48468 -0.13744 0.00494  -0.19426 127 ASP A N   
859  C CA  . ASP A 120 ? 0.62547 1.03382 0.50019 -0.12610 0.00198  -0.15479 127 ASP A CA  
860  C C   . ASP A 120 ? 0.52040 0.88053 0.41793 -0.10606 0.00285  -0.11976 127 ASP A C   
861  O O   . ASP A 120 ? 0.54616 0.86513 0.47913 -0.10038 0.01063  -0.12840 127 ASP A O   
862  C CB  . ASP A 120 ? 0.71758 1.13588 0.56363 -0.13403 0.02011  -0.16798 127 ASP A CB  
863  C CG  . ASP A 120 ? 0.86697 1.30152 0.66762 -0.13194 0.01687  -0.12722 127 ASP A CG  
864  O OD1 . ASP A 120 ? 0.99684 1.46721 0.76732 -0.13446 0.00054  -0.11184 127 ASP A OD1 
865  O OD2 . ASP A 120 ? 0.54986 0.95449 0.35065 -0.12654 0.02972  -0.10696 127 ASP A OD2 
866  N N   . ILE A 121 ? 0.48305 0.84600 0.35563 -0.09535 -0.00573 -0.07960 128 ILE A N   
867  C CA  . ILE A 121 ? 0.45788 0.77529 0.34628 -0.07781 -0.00444 -0.04807 128 ILE A CA  
868  C C   . ILE A 121 ? 0.50581 0.78848 0.40856 -0.07934 0.01639  -0.05845 128 ILE A C   
869  O O   . ILE A 121 ? 0.47480 0.71967 0.40715 -0.06809 0.01963  -0.05218 128 ILE A O   
870  C CB  . ILE A 121 ? 0.53438 0.85330 0.38609 -0.06780 -0.01579 -0.00550 128 ILE A CB  
871  C CG1 . ILE A 121 ? 0.52988 0.88192 0.38101 -0.05533 -0.04076 0.00762  128 ILE A CG1 
872  C CG2 . ILE A 121 ? 0.38825 0.65372 0.24915 -0.05584 -0.00838 0.02079  128 ILE A CG2 
873  C CD1 . ILE A 121 ? 0.70199 1.09100 0.50092 -0.05467 -0.05620 0.02940  128 ILE A CD1 
874  N N   . SER A 122 ? 0.46526 0.76740 0.34792 -0.09285 0.03055  -0.07658 129 SER A N   
875  C CA  . SER A 122 ? 0.43649 0.72044 0.33765 -0.09296 0.04985  -0.09100 129 SER A CA  
876  C C   . SER A 122 ? 0.48410 0.74342 0.42856 -0.08415 0.05345  -0.12014 129 SER A C   
877  O O   . SER A 122 ? 0.42088 0.66376 0.38772 -0.07699 0.06492  -0.12982 129 SER A O   
878  C CB  . SER A 122 ? 0.44729 0.76982 0.32046 -0.10983 0.06580  -0.11070 129 SER A CB  
879  O OG  . SER A 122 ? 0.49803 0.84649 0.37311 -0.11681 0.06734  -0.15129 129 SER A OG  
880  N N   . MET A 123 ? 0.36229 0.61910 0.31808 -0.08523 0.04362  -0.13355 130 MET A N   
881  C CA  . MET A 123 ? 0.41971 0.64150 0.40945 -0.07925 0.04661  -0.15594 130 MET A CA  
882  C C   . MET A 123 ? 0.34613 0.52977 0.35806 -0.06580 0.03989  -0.13019 130 MET A C   
883  O O   . MET A 123 ? 0.35749 0.50728 0.39147 -0.06199 0.04088  -0.14116 130 MET A O   
884  C CB  . MET A 123 ? 0.45216 0.68666 0.44088 -0.09414 0.04208  -0.18450 130 MET A CB  
885  C CG  . MET A 123 ? 0.49962 0.76401 0.47126 -0.10624 0.05223  -0.22246 130 MET A CG  
886  S SD  . MET A 123 ? 0.62970 0.91470 0.59600 -0.12952 0.04558  -0.25967 130 MET A SD  
887  C CE  . MET A 123 ? 0.59535 0.80604 0.60093 -0.12419 0.05135  -0.27657 130 MET A CE  
888  N N   . ILE A 124 ? 0.29353 0.47822 0.29679 -0.05891 0.03415  -0.09660 131 ILE A N   
889  C CA  . ILE A 124 ? 0.30747 0.46249 0.32840 -0.04651 0.02826  -0.07442 131 ILE A CA  
890  C C   . ILE A 124 ? 0.28627 0.40392 0.33107 -0.03665 0.03517  -0.08339 131 ILE A C   
891  O O   . ILE A 124 ? 0.26183 0.35407 0.32092 -0.03184 0.03179  -0.07786 131 ILE A O   
892  C CB  . ILE A 124 ? 0.27886 0.43346 0.28506 -0.03931 0.02425  -0.04246 131 ILE A CB  
893  C CG1 . ILE A 124 ? 0.27952 0.40954 0.30248 -0.02613 0.01806  -0.02404 131 ILE A CG1 
894  C CG2 . ILE A 124 ? 0.29049 0.44063 0.28931 -0.04150 0.03600  -0.04164 131 ILE A CG2 
895  C CD1 . ILE A 124 ? 0.31977 0.44010 0.32904 -0.01714 0.01379  0.00430  131 ILE A CD1 
896  N N   . GLY A 125 ? 0.31833 0.43641 0.36710 -0.03306 0.04466  -0.09749 132 GLY A N   
897  C CA  . GLY A 125 ? 0.29920 0.38756 0.37058 -0.01814 0.04736  -0.10355 132 GLY A CA  
898  C C   . GLY A 125 ? 0.34346 0.39949 0.42670 -0.01472 0.04670  -0.12091 132 GLY A C   
899  O O   . GLY A 125 ? 0.40593 0.42747 0.50173 -0.00081 0.04429  -0.11514 132 GLY A O   
900  N N   . GLN A 126 ? 0.35295 0.41671 0.42924 -0.02846 0.04858  -0.14182 133 GLN A N   
901  C CA  . GLN A 126 ? 0.39571 0.41935 0.48033 -0.03068 0.04959  -0.15955 133 GLN A CA  
902  C C   . GLN A 126 ? 0.53770 0.53472 0.62395 -0.03700 0.04388  -0.13846 133 GLN A C   
903  O O   . GLN A 126 ? 0.47770 0.43007 0.56810 -0.04093 0.04600  -0.14622 133 GLN A O   
904  C CB  . GLN A 126 ? 0.44443 0.48783 0.51983 -0.04932 0.05345  -0.19083 133 GLN A CB  
905  C CG  . GLN A 126 ? 0.50054 0.57399 0.57235 -0.04485 0.06248  -0.21695 133 GLN A CG  
906  C CD  . GLN A 126 ? 0.65853 0.75767 0.71604 -0.06498 0.06622  -0.25025 133 GLN A CD  
907  O OE1 . GLN A 126 ? 0.75029 0.89661 0.79210 -0.07071 0.07197  -0.26342 133 GLN A OE1 
908  N NE2 . GLN A 126 ? 0.64200 0.71200 0.70237 -0.07923 0.06388  -0.26498 133 GLN A NE2 
909  N N   . PHE A 127 ? 0.35922 0.38067 0.44141 -0.03838 0.03810  -0.11270 134 PHE A N   
910  C CA  . PHE A 127 ? 0.32940 0.34141 0.41490 -0.04546 0.03475  -0.09562 134 PHE A CA  
911  C C   . PHE A 127 ? 0.34494 0.34061 0.43291 -0.02889 0.03283  -0.07033 134 PHE A C   
912  O O   . PHE A 127 ? 0.35655 0.35489 0.44618 -0.03243 0.03131  -0.05488 134 PHE A O   
913  C CB  . PHE A 127 ? 0.30608 0.36849 0.38770 -0.05868 0.02863  -0.09263 134 PHE A CB  
914  C CG  . PHE A 127 ? 0.34386 0.42950 0.42025 -0.07708 0.02886  -0.12010 134 PHE A CG  
915  C CD1 . PHE A 127 ? 0.56128 0.61991 0.64375 -0.09490 0.03424  -0.14253 134 PHE A CD1 
916  C CD2 . PHE A 127 ? 0.31550 0.44354 0.37668 -0.07772 0.02511  -0.12522 134 PHE A CD2 
917  C CE1 . PHE A 127 ? 0.41380 0.49316 0.49088 -0.11382 0.03497  -0.17372 134 PHE A CE1 
918  C CE2 . PHE A 127 ? 0.47935 0.63331 0.53167 -0.09532 0.02525  -0.15392 134 PHE A CE2 
919  C CZ  . PHE A 127 ? 0.55163 0.68257 0.61366 -0.11327 0.03004  -0.18064 134 PHE A CZ  
920  N N   . GLY A 128 ? 0.33019 0.31585 0.41979 -0.01186 0.03334  -0.06910 135 GLY A N   
921  C CA  . GLY A 128 ? 0.33595 0.30579 0.42722 0.00264  0.03067  -0.05059 135 GLY A CA  
922  C C   . GLY A 128 ? 0.30606 0.30030 0.39404 0.00487  0.02777  -0.03352 135 GLY A C   
923  O O   . GLY A 128 ? 0.35682 0.33941 0.44480 0.01407  0.02588  -0.02077 135 GLY A O   
924  N N   . VAL A 129 ? 0.25166 0.27627 0.33393 -0.00220 0.02674  -0.03287 136 VAL A N   
925  C CA  . VAL A 129 ? 0.21458 0.25110 0.29154 0.00264  0.02330  -0.01510 136 VAL A CA  
926  C C   . VAL A 129 ? 0.25893 0.30860 0.32525 0.00085  0.02502  -0.01364 136 VAL A C   
927  O O   . VAL A 129 ? 0.24915 0.30583 0.30402 0.00172  0.02174  0.00127  136 VAL A O   
928  C CB  . VAL A 129 ? 0.21766 0.27527 0.29490 -0.00108 0.01832  -0.00816 136 VAL A CB  
929  C CG1 . VAL A 129 ? 0.26469 0.31180 0.35229 -0.00260 0.02045  -0.00687 136 VAL A CG1 
930  C CG2 . VAL A 129 ? 0.24997 0.33503 0.32266 -0.01408 0.01603  -0.02090 136 VAL A CG2 
931  N N   . GLY A 130 ? 0.27588 0.25373 0.29998 -0.02505 -0.00427 -0.04034 137 GLY A N   
932  C CA  . GLY A 130 ? 0.28357 0.26534 0.29383 -0.01520 -0.00180 -0.04023 137 GLY A CA  
933  C C   . GLY A 130 ? 0.27193 0.26326 0.28488 -0.01348 0.00410  -0.03081 137 GLY A C   
934  O O   . GLY A 130 ? 0.28283 0.28018 0.28863 -0.00784 0.00557  -0.02797 137 GLY A O   
935  N N   . PHE A 131 ? 0.25176 0.24360 0.27414 -0.01781 0.00708  -0.02577 138 PHE A N   
936  C CA  . PHE A 131 ? 0.25452 0.25197 0.27928 -0.01627 0.01012  -0.01982 138 PHE A CA  
937  C C   . PHE A 131 ? 0.24286 0.24726 0.26694 -0.01418 0.00775  -0.01894 138 PHE A C   
938  O O   . PHE A 131 ? 0.25200 0.25648 0.27401 -0.01108 0.00937  -0.01431 138 PHE A O   
939  C CB  . PHE A 131 ? 0.27493 0.27311 0.30637 -0.01922 0.01176  -0.01720 138 PHE A CB  
940  C CG  . PHE A 131 ? 0.26835 0.27023 0.30122 -0.01708 0.01187  -0.01499 138 PHE A CG  
941  C CD1 . PHE A 131 ? 0.27143 0.27058 0.30433 -0.01579 0.01236  -0.01285 138 PHE A CD1 
942  C CD2 . PHE A 131 ? 0.27164 0.27977 0.30725 -0.01598 0.01070  -0.01565 138 PHE A CD2 
943  C CE1 . PHE A 131 ? 0.23793 0.23580 0.27297 -0.01473 0.01022  -0.01265 138 PHE A CE1 
944  C CE2 . PHE A 131 ? 0.27617 0.28314 0.31113 -0.01207 0.00967  -0.01567 138 PHE A CE2 
945  C CZ  . PHE A 131 ? 0.29385 0.29330 0.32818 -0.01208 0.00868  -0.01481 138 PHE A CZ  
946  N N   . TYR A 132 ? 0.26205 0.27270 0.28986 -0.01600 0.00357  -0.02234 139 TYR A N   
947  C CA  . TYR A 132 ? 0.22673 0.24574 0.25496 -0.01202 0.00085  -0.02097 139 TYR A CA  
948  C C   . TYR A 132 ? 0.27786 0.29709 0.29451 -0.00580 -0.00103 -0.01993 139 TYR A C   
949  O O   . TYR A 132 ? 0.25932 0.28252 0.27406 -0.00052 -0.00253 -0.01605 139 TYR A O   
950  C CB  . TYR A 132 ? 0.21816 0.24945 0.25714 -0.01540 -0.00326 -0.02422 139 TYR A CB  
951  C CG  . TYR A 132 ? 0.26334 0.29753 0.31238 -0.01966 0.00122  -0.02175 139 TYR A CG  
952  C CD1 . TYR A 132 ? 0.28420 0.32294 0.33464 -0.01457 0.00434  -0.01881 139 TYR A CD1 
953  C CD2 . TYR A 132 ? 0.27052 0.30109 0.32545 -0.02727 0.00249  -0.02199 139 TYR A CD2 
954  C CE1 . TYR A 132 ? 0.23187 0.27552 0.28733 -0.01574 0.00920  -0.01639 139 TYR A CE1 
955  C CE2 . TYR A 132 ? 0.27793 0.31250 0.33976 -0.02981 0.00798  -0.01694 139 TYR A CE2 
956  C CZ  . TYR A 132 ? 0.27283 0.31574 0.33375 -0.02344 0.01163  -0.01423 139 TYR A CZ  
957  O OH  . TYR A 132 ? 0.27874 0.32775 0.34260 -0.02349 0.01768  -0.00912 139 TYR A OH  
958  N N   . SER A 133 ? 0.25269 0.26763 0.25989 -0.00428 -0.00034 -0.02246 140 SER A N   
959  C CA  . SER A 133 ? 0.26793 0.28527 0.26098 0.00391  0.00042  -0.01913 140 SER A CA  
960  C C   . SER A 133 ? 0.22977 0.24480 0.22385 0.00585  0.00716  -0.00724 140 SER A C   
961  O O   . SER A 133 ? 0.28120 0.29933 0.26547 0.01251  0.00916  -0.00002 140 SER A O   
962  C CB  . SER A 133 ? 0.29124 0.30546 0.27222 0.00777  0.00118  -0.02491 140 SER A CB  
963  O OG  . SER A 133 ? 0.28858 0.29781 0.27315 0.00653  0.00857  -0.02110 140 SER A OG  
964  N N   . ALA A 134 ? 0.24939 0.25895 0.25523 0.00010  0.01005  -0.00467 141 ALA A N   
965  C CA  . ALA A 134 ? 0.23157 0.23658 0.24266 -0.00052 0.01358  0.00509  141 ALA A CA  
966  C C   . ALA A 134 ? 0.24973 0.25283 0.25793 0.00432  0.01100  0.01046  141 ALA A C   
967  O O   . ALA A 134 ? 0.26178 0.26019 0.26994 0.00573  0.01424  0.02143  141 ALA A O   
968  C CB  . ALA A 134 ? 0.24208 0.24123 0.26506 -0.00660 0.01299  0.00283  141 ALA A CB  
969  N N   . TYR A 135 ? 0.25092 0.25850 0.25827 0.00716  0.00536  0.00426  142 TYR A N   
970  C CA  . TYR A 135 ? 0.23065 0.23726 0.23587 0.01417  0.00217  0.00898  142 TYR A CA  
971  C C   . TYR A 135 ? 0.26708 0.28011 0.25814 0.02232  0.00140  0.01490  142 TYR A C   
972  O O   . TYR A 135 ? 0.31888 0.33183 0.30601 0.03026  -0.00161 0.02046  142 TYR A O   
973  C CB  . TYR A 135 ? 0.22586 0.24043 0.23809 0.01555  -0.00292 0.00090  142 TYR A CB  
974  C CG  . TYR A 135 ? 0.23948 0.24641 0.26083 0.01195  -0.00119 -0.00208 142 TYR A CG  
975  C CD1 . TYR A 135 ? 0.26046 0.25452 0.28340 0.01653  -0.00199 0.00081  142 TYR A CD1 
976  C CD2 . TYR A 135 ? 0.23232 0.24254 0.25865 0.00499  0.00072  -0.00782 142 TYR A CD2 
977  C CE1 . TYR A 135 ? 0.26967 0.25610 0.29739 0.01500  -0.00198 -0.00451 142 TYR A CE1 
978  C CE2 . TYR A 135 ? 0.28017 0.28505 0.31091 0.00377  0.00192  -0.01058 142 TYR A CE2 
979  C CZ  . TYR A 135 ? 0.26642 0.26022 0.29700 0.00908  0.00010  -0.01006 142 TYR A CZ  
980  O OH  . TYR A 135 ? 0.26632 0.25474 0.29795 0.00971  -0.00034 -0.01538 142 TYR A OH  
981  N N   . LEU A 136 ? 0.27980 0.29833 0.26111 0.02269  0.00400  0.01385  143 LEU A N   
982  C CA  . LEU A 136 ? 0.27040 0.29496 0.23413 0.03253  0.00532  0.02151  143 LEU A CA  
983  C C   . LEU A 136 ? 0.33234 0.34877 0.29664 0.03386  0.01345  0.03969  143 LEU A C   
984  O O   . LEU A 136 ? 0.33829 0.35687 0.29011 0.04325  0.01443  0.05099  143 LEU A O   
985  C CB  . LEU A 136 ? 0.29623 0.32775 0.24762 0.03467  0.00701  0.01468  143 LEU A CB  
986  C CG  . LEU A 136 ? 0.30582 0.34263 0.25451 0.03377  -0.00287 -0.00298 143 LEU A CG  
987  C CD1 . LEU A 136 ? 0.30741 0.34365 0.24505 0.03591  -0.00080 -0.01090 143 LEU A CD1 
988  C CD2 . LEU A 136 ? 0.32274 0.37033 0.26108 0.04228  -0.01297 -0.00632 143 LEU A CD2 
989  N N   . VAL A 137 ? 0.31897 0.32636 0.29857 0.02428  0.01872  0.04353  144 VAL A N   
990  C CA  . VAL A 137 ? 0.29698 0.29697 0.28285 0.02189  0.02613  0.06126  144 VAL A CA  
991  C C   . VAL A 137 ? 0.29779 0.27923 0.30177 0.01391  0.02303  0.06273  144 VAL A C   
992  O O   . VAL A 137 ? 0.33481 0.30471 0.34571 0.01162  0.02634  0.07784  144 VAL A O   
993  C CB  . VAL A 137 ? 0.29568 0.30570 0.28488 0.01809  0.03558  0.06679  144 VAL A CB  
994  C CG1 . VAL A 137 ? 0.34125 0.36755 0.30800 0.02973  0.03915  0.06575  144 VAL A CG1 
995  C CG2 . VAL A 137 ? 0.29278 0.30214 0.29594 0.00889  0.03358  0.05410  144 VAL A CG2 
996  N N   . ALA A 138 ? 0.29675 0.27393 0.30793 0.01026  0.01665  0.04803  145 ALA A N   
997  C CA  . ALA A 138 ? 0.32527 0.28497 0.35035 0.00449  0.01272  0.04577  145 ALA A CA  
998  C C   . ALA A 138 ? 0.34136 0.29281 0.36251 0.01292  0.00603  0.04016  145 ALA A C   
999  O O   . ALA A 138 ? 0.35236 0.31686 0.36717 0.01860  0.00317  0.03114  145 ALA A O   
1000 C CB  . ALA A 138 ? 0.27472 0.23747 0.30889 -0.00342 0.01124  0.03387  145 ALA A CB  
1001 N N   . GLU A 139 ? 0.29308 0.22292 0.31991 0.01377  0.00326  0.04561  146 GLU A N   
1002 C CA  . GLU A 139 ? 0.30170 0.22188 0.32588 0.02371  -0.00316 0.03836  146 GLU A CA  
1003 C C   . GLU A 139 ? 0.34842 0.26568 0.37821 0.02139  -0.00728 0.02236  146 GLU A C   
1004 O O   . GLU A 139 ? 0.35357 0.27371 0.37976 0.03120  -0.01065 0.01344  146 GLU A O   
1005 C CB  . GLU A 139 ? 0.39719 0.29070 0.42300 0.02799  -0.00522 0.05013  146 GLU A CB  
1006 C CG  . GLU A 139 ? 0.50372 0.37488 0.54418 0.01513  -0.00572 0.05511  146 GLU A CG  
1007 C CD  . GLU A 139 ? 0.86493 0.70381 0.90903 0.01839  -0.00904 0.06652  146 GLU A CD  
1008 O OE1 . GLU A 139 ? 0.79366 0.60762 0.85154 0.00923  -0.01425 0.06418  146 GLU A OE1 
1009 O OE2 . GLU A 139 ? 0.78498 0.62235 0.81839 0.03021  -0.00743 0.07783  146 GLU A OE2 
1010 N N   . LYS A 140 ? 0.30280 0.21752 0.34087 0.01006  -0.00679 0.01920  147 LYS A N   
1011 C CA  . LYS A 140 ? 0.29041 0.20403 0.33068 0.00878  -0.01088 0.00472  147 LYS A CA  
1012 C C   . LYS A 140 ? 0.28049 0.20676 0.32636 -0.00208 -0.00785 0.00393  147 LYS A C   
1013 O O   . LYS A 140 ? 0.28907 0.21605 0.34226 -0.01002 -0.00448 0.01400  147 LYS A O   
1014 C CB  . LYS A 140 ? 0.30545 0.19115 0.35036 0.00941  -0.01864 -0.00022 147 LYS A CB  
1015 C CG  . LYS A 140 ? 0.32289 0.20747 0.36558 0.01100  -0.02409 -0.01667 147 LYS A CG  
1016 C CD  . LYS A 140 ? 0.43648 0.29006 0.48022 0.01484  -0.03402 -0.02473 147 LYS A CD  
1017 C CE  . LYS A 140 ? 0.50262 0.34169 0.56096 -0.00011 -0.04061 -0.02497 147 LYS A CE  
1018 N NZ  . LYS A 140 ? 0.58874 0.39098 0.65161 0.00089  -0.05171 -0.03041 147 LYS A NZ  
1019 N N   . VAL A 141 ? 0.24679 0.18488 0.28930 -0.00112 -0.00809 -0.00636 148 VAL A N   
1020 C CA  . VAL A 141 ? 0.21808 0.16688 0.26469 -0.00889 -0.00603 -0.00756 148 VAL A CA  
1021 C C   . VAL A 141 ? 0.28625 0.23132 0.33201 -0.00792 -0.01168 -0.01883 148 VAL A C   
1022 O O   . VAL A 141 ? 0.27521 0.22234 0.31236 0.00060  -0.01263 -0.02639 148 VAL A O   
1023 C CB  . VAL A 141 ? 0.23649 0.20367 0.27754 -0.00804 -0.00031 -0.00701 148 VAL A CB  
1024 C CG1 . VAL A 141 ? 0.28056 0.25534 0.32482 -0.01356 0.00136  -0.00842 148 VAL A CG1 
1025 C CG2 . VAL A 141 ? 0.26466 0.23640 0.30258 -0.00688 0.00355  0.00164  148 VAL A CG2 
1026 N N   . THR A 142 ? 0.26015 0.20258 0.31486 -0.01559 -0.01548 -0.01964 149 THR A N   
1027 C CA  . THR A 142 ? 0.28169 0.22325 0.33397 -0.01432 -0.02243 -0.03079 149 THR A CA  
1028 C C   . THR A 142 ? 0.30217 0.26111 0.35645 -0.01803 -0.01911 -0.02858 149 THR A C   
1029 O O   . THR A 142 ? 0.30035 0.26594 0.36563 -0.02509 -0.01581 -0.02026 149 THR A O   
1030 C CB  . THR A 142 ? 0.29472 0.21832 0.35783 -0.02008 -0.03323 -0.03543 149 THR A CB  
1031 O OG1 . THR A 142 ? 0.34471 0.24723 0.40719 -0.01669 -0.03597 -0.03518 149 THR A OG1 
1032 C CG2 . THR A 142 ? 0.31470 0.23692 0.37039 -0.01558 -0.04296 -0.05038 149 THR A CG2 
1033 N N   . VAL A 143 ? 0.24790 0.21486 0.29103 -0.01178 -0.01906 -0.03469 150 VAL A N   
1034 C CA  . VAL A 143 ? 0.24393 0.22440 0.28700 -0.01305 -0.01642 -0.03204 150 VAL A CA  
1035 C C   . VAL A 143 ? 0.30667 0.28818 0.34491 -0.00950 -0.02533 -0.04096 150 VAL A C   
1036 O O   . VAL A 143 ? 0.29662 0.27684 0.32036 -0.00056 -0.02711 -0.04812 150 VAL A O   
1037 C CB  . VAL A 143 ? 0.26848 0.25767 0.30250 -0.00903 -0.00758 -0.02800 150 VAL A CB  
1038 C CG1 . VAL A 143 ? 0.30042 0.29839 0.33306 -0.00881 -0.00556 -0.02487 150 VAL A CG1 
1039 C CG2 . VAL A 143 ? 0.27010 0.25903 0.30792 -0.01206 -0.00169 -0.02177 150 VAL A CG2 
1040 N N   . ILE A 144 ? 0.23526 0.22170 0.28552 -0.01531 -0.03118 -0.04063 151 ILE A N   
1041 C CA  . ILE A 144 ? 0.24939 0.24046 0.29576 -0.01180 -0.04176 -0.04938 151 ILE A CA  
1042 C C   . ILE A 144 ? 0.28267 0.28944 0.32516 -0.00808 -0.03670 -0.04282 151 ILE A C   
1043 O O   . ILE A 144 ? 0.26298 0.27688 0.31734 -0.01281 -0.03079 -0.03389 151 ILE A O   
1044 C CB  . ILE A 144 ? 0.27229 0.26079 0.33917 -0.02160 -0.05398 -0.05352 151 ILE A CB  
1045 C CG1 . ILE A 144 ? 0.39967 0.36838 0.47567 -0.02807 -0.05690 -0.05498 151 ILE A CG1 
1046 C CG2 . ILE A 144 ? 0.32240 0.31376 0.38220 -0.01648 -0.06871 -0.06687 151 ILE A CG2 
1047 C CD1 . ILE A 144 ? 0.39412 0.34569 0.45194 -0.01858 -0.06211 -0.06726 151 ILE A CD1 
1048 N N   . THR A 145 ? 0.26089 0.27265 0.28550 0.00200  -0.03855 -0.04653 152 THR A N   
1049 C CA  . THR A 145 ? 0.29346 0.31629 0.31324 0.00657  -0.03290 -0.03794 152 THR A CA  
1050 C C   . THR A 145 ? 0.30909 0.34048 0.31465 0.01661  -0.04157 -0.04306 152 THR A C   
1051 O O   . THR A 145 ? 0.30001 0.32852 0.29102 0.02335  -0.04818 -0.05316 152 THR A O   
1052 C CB  . THR A 145 ? 0.30165 0.32150 0.31221 0.00888  -0.01937 -0.02926 152 THR A CB  
1053 O OG1 . THR A 145 ? 0.29072 0.31509 0.30146 0.01078  -0.01397 -0.01983 152 THR A OG1 
1054 C CG2 . THR A 145 ? 0.29622 0.31675 0.28756 0.01804  -0.01720 -0.03190 152 THR A CG2 
1055 N N   . LYS A 146 ? 0.24297 0.28524 0.25114 0.01963  -0.04195 -0.03643 153 LYS A N   
1056 C CA  . LYS A 146 ? 0.28182 0.33462 0.27460 0.03127  -0.04980 -0.03857 153 LYS A CA  
1057 C C   . LYS A 146 ? 0.30597 0.36265 0.29288 0.03765  -0.04012 -0.02399 153 LYS A C   
1058 O O   . LYS A 146 ? 0.27429 0.33390 0.27704 0.03400  -0.03765 -0.01785 153 LYS A O   
1059 C CB  . LYS A 146 ? 0.26691 0.33091 0.27411 0.02865  -0.06683 -0.04797 153 LYS A CB  
1060 C CG  . LYS A 146 ? 0.31509 0.39353 0.30667 0.04205  -0.07737 -0.05049 153 LYS A CG  
1061 C CD  . LYS A 146 ? 0.37593 0.45053 0.33752 0.05391  -0.08207 -0.06017 153 LYS A CD  
1062 C CE  . LYS A 146 ? 0.38239 0.47306 0.32572 0.06880  -0.09470 -0.06385 153 LYS A CE  
1063 N NZ  . LYS A 146 ? 0.35262 0.45087 0.28265 0.07990  -0.08370 -0.04553 153 LYS A NZ  
1064 N N   . HIS A 147 ? 0.32647 0.38268 0.29074 0.04795  -0.03419 -0.01781 154 HIS A N   
1065 C CA  . HIS A 147 ? 0.30438 0.36023 0.26059 0.05493  -0.02549 -0.00235 154 HIS A CA  
1066 C C   . HIS A 147 ? 0.33716 0.40608 0.27570 0.06967  -0.03455 -0.00177 154 HIS A C   
1067 O O   . HIS A 147 ? 0.33463 0.41077 0.25864 0.07614  -0.04361 -0.01256 154 HIS A O   
1068 C CB  . HIS A 147 ? 0.28870 0.33554 0.23523 0.05411  -0.01085 0.00762  154 HIS A CB  
1069 C CG  . HIS A 147 ? 0.37909 0.41941 0.32124 0.05783  -0.00104 0.02511  154 HIS A CG  
1070 N ND1 . HIS A 147 ? 0.37207 0.41824 0.29539 0.07120  -0.00061 0.03554  154 HIS A ND1 
1071 C CD2 . HIS A 147 ? 0.30809 0.33402 0.26163 0.05019  0.00800  0.03396  154 HIS A CD2 
1072 C CE1 . HIS A 147 ? 0.41123 0.44498 0.33623 0.07084  0.00898  0.05172  154 HIS A CE1 
1073 N NE2 . HIS A 147 ? 0.33473 0.35515 0.27833 0.05783  0.01359  0.04972  154 HIS A NE2 
1074 N N   . ASN A 148 ? 0.31335 0.38493 0.25177 0.07670  -0.03344 0.00969  155 ASN A N   
1075 C CA  . ASN A 148 ? 0.34194 0.42784 0.26256 0.09267  -0.04299 0.01157  155 ASN A CA  
1076 C C   . ASN A 148 ? 0.36669 0.45553 0.25635 0.10432  -0.03968 0.01453  155 ASN A C   
1077 O O   . ASN A 148 ? 0.41765 0.52085 0.28865 0.11747  -0.05179 0.00789  155 ASN A O   
1078 C CB  . ASN A 148 ? 0.34963 0.43379 0.27148 0.10100  -0.03885 0.02756  155 ASN A CB  
1079 C CG  . ASN A 148 ? 0.42475 0.51765 0.37245 0.09760  -0.04662 0.02275  155 ASN A CG  
1080 O OD1 . ASN A 148 ? 0.42038 0.52808 0.38303 0.09190  -0.05932 0.00859  155 ASN A OD1 
1081 N ND2 . ASN A 148 ? 0.37060 0.45452 0.32480 0.10153  -0.03893 0.03497  155 ASN A ND2 
1082 N N   . ASP A 149 ? 0.39779 0.47600 0.28167 0.10060  -0.02375 0.02431  156 ASP A N   
1083 C CA  . ASP A 149 ? 0.42738 0.51212 0.28301 0.11297  -0.01631 0.03220  156 ASP A CA  
1084 C C   . ASP A 149 ? 0.49208 0.58162 0.33889 0.11334  -0.01850 0.01635  156 ASP A C   
1085 O O   . ASP A 149 ? 0.51395 0.61127 0.33835 0.12406  -0.00957 0.02276  156 ASP A O   
1086 C CB  . ASP A 149 ? 0.48251 0.55648 0.33951 0.10915  0.00331  0.05517  156 ASP A CB  
1087 C CG  . ASP A 149 ? 0.53802 0.60327 0.39687 0.11335  0.00591  0.07260  156 ASP A CG  
1088 O OD1 . ASP A 149 ? 0.48074 0.55470 0.33184 0.12493  -0.00601 0.07000  156 ASP A OD1 
1089 O OD2 . ASP A 149 ? 0.60753 0.65652 0.47676 0.10523  0.01878  0.08822  156 ASP A OD2 
1090 N N   . ASP A 150 ? 0.43194 0.51704 0.29559 0.10308  -0.02923 -0.00291 157 ASP A N   
1091 C CA  . ASP A 150 ? 0.38391 0.46835 0.24014 0.10412  -0.03131 -0.01806 157 ASP A CA  
1092 C C   . ASP A 150 ? 0.52129 0.60215 0.38934 0.09843  -0.05107 -0.04066 157 ASP A C   
1093 O O   . ASP A 150 ? 0.41073 0.49398 0.29514 0.09267  -0.06176 -0.04305 157 ASP A O   
1094 C CB  . ASP A 150 ? 0.39266 0.46824 0.26354 0.09250  -0.01581 -0.01130 157 ASP A CB  
1095 C CG  . ASP A 150 ? 0.44880 0.52951 0.30367 0.10118  -0.01096 -0.01817 157 ASP A CG  
1096 O OD1 . ASP A 150 ? 0.46411 0.55123 0.29586 0.11584  -0.02102 -0.03199 157 ASP A OD1 
1097 O OD2 . ASP A 150 ? 0.44103 0.52057 0.30615 0.09457  0.00254  -0.01019 157 ASP A OD2 
1098 N N   . GLU A 151 ? 0.41399 0.48934 0.27528 0.10033  -0.05585 -0.05673 158 GLU A N   
1099 C CA  . GLU A 151 ? 0.41321 0.47975 0.28749 0.09312  -0.07448 -0.07795 158 GLU A CA  
1100 C C   . GLU A 151 ? 0.33309 0.38573 0.23923 0.07355  -0.06973 -0.07601 158 GLU A C   
1101 O O   . GLU A 151 ? 0.38409 0.43420 0.29886 0.06730  -0.05340 -0.06146 158 GLU A O   
1102 C CB  . GLU A 151 ? 0.43811 0.50036 0.28795 0.10647  -0.08285 -0.09719 158 GLU A CB  
1103 C CG  . GLU A 151 ? 0.62075 0.69873 0.43227 0.12967  -0.08464 -0.09844 158 GLU A CG  
1104 C CD  . GLU A 151 ? 1.00078 1.09100 0.80884 0.13387  -0.10036 -0.10048 158 GLU A CD  
1105 O OE1 . GLU A 151 ? 1.15395 1.23956 0.97997 0.12462  -0.12059 -0.11677 158 GLU A OE1 
1106 O OE2 . GLU A 151 ? 1.06996 1.17527 0.85888 0.14637  -0.09276 -0.08481 158 GLU A OE2 
1107 N N   . GLN A 152 ? 0.37587 0.41934 0.29944 0.06387  -0.08492 -0.09075 159 GLN A N   
1108 C CA  . GLN A 152 ? 0.32008 0.35097 0.27213 0.04656  -0.08107 -0.08804 159 GLN A CA  
1109 C C   . GLN A 152 ? 0.34864 0.36451 0.29359 0.04860  -0.07518 -0.09338 159 GLN A C   
1110 O O   . GLN A 152 ? 0.38658 0.39422 0.31579 0.05795  -0.08515 -0.10964 159 GLN A O   
1111 C CB  . GLN A 152 ? 0.34612 0.37408 0.32300 0.03421  -0.09855 -0.09827 159 GLN A CB  
1112 C CG  . GLN A 152 ? 0.33760 0.35768 0.34536 0.01646  -0.09247 -0.09004 159 GLN A CG  
1113 C CD  . GLN A 152 ? 0.40111 0.42873 0.43862 0.00348  -0.10559 -0.09235 159 GLN A CD  
1114 O OE1 . GLN A 152 ? 0.40653 0.45387 0.44996 0.00532  -0.10927 -0.08819 159 GLN A OE1 
1115 N NE2 . GLN A 152 ? 0.40427 0.41728 0.46242 -0.00951 -0.11258 -0.09770 159 GLN A NE2 
1116 N N   . TYR A 153 ? 0.33066 0.34309 0.28671 0.04125  -0.06014 -0.08083 160 TYR A N   
1117 C CA  . TYR A 153 ? 0.34123 0.34383 0.29263 0.04419  -0.05301 -0.08296 160 TYR A CA  
1118 C C   . TYR A 153 ? 0.34574 0.33600 0.32110 0.02974  -0.05076 -0.07875 160 TYR A C   
1119 O O   . TYR A 153 ? 0.29693 0.29065 0.29038 0.01831  -0.04805 -0.06923 160 TYR A O   
1120 C CB  . TYR A 153 ? 0.29466 0.30981 0.23380 0.05177  -0.03601 -0.07034 160 TYR A CB  
1121 C CG  . TYR A 153 ? 0.37088 0.39769 0.28197 0.06970  -0.03531 -0.07389 160 TYR A CG  
1122 C CD1 . TYR A 153 ? 0.37912 0.40351 0.27296 0.08343  -0.03674 -0.08581 160 TYR A CD1 
1123 C CD2 . TYR A 153 ? 0.41382 0.45422 0.31371 0.07516  -0.03312 -0.06503 160 TYR A CD2 
1124 C CE1 . TYR A 153 ? 0.45869 0.49650 0.32373 0.10248  -0.03489 -0.08887 160 TYR A CE1 
1125 C CE2 . TYR A 153 ? 0.50127 0.55414 0.37255 0.09332  -0.03152 -0.06634 160 TYR A CE2 
1126 C CZ  . TYR A 153 ? 0.56643 0.61918 0.41976 0.10712  -0.03203 -0.07847 160 TYR A CZ  
1127 O OH  . TYR A 153 ? 0.65507 0.72294 0.47677 0.12787  -0.02920 -0.07972 160 TYR A OH  
1128 N N   . ALA A 154 ? 0.31841 0.29507 0.29179 0.03266  -0.05119 -0.08525 161 ALA A N   
1129 C CA  . ALA A 154 ? 0.29108 0.25592 0.28250 0.02232  -0.04783 -0.07958 161 ALA A CA  
1130 C C   . ALA A 154 ? 0.33088 0.29979 0.31560 0.02917  -0.03553 -0.07396 161 ALA A C   
1131 O O   . ALA A 154 ? 0.32040 0.28799 0.29006 0.04254  -0.03570 -0.08211 161 ALA A O   
1132 C CB  . ALA A 154 ? 0.34890 0.29074 0.34794 0.01891  -0.06156 -0.09130 161 ALA A CB  
1133 N N   . TRP A 155 ? 0.25788 0.23353 0.25397 0.02107  -0.02560 -0.06095 162 TRP A N   
1134 C CA  . TRP A 155 ? 0.26327 0.24412 0.25964 0.02417  -0.01620 -0.05518 162 TRP A CA  
1135 C C   . TRP A 155 ? 0.30156 0.26766 0.30928 0.01878  -0.01886 -0.05374 162 TRP A C   
1136 O O   . TRP A 155 ? 0.28921 0.24712 0.30847 0.00857  -0.02264 -0.05054 162 TRP A O   
1137 C CB  . TRP A 155 ? 0.27256 0.26877 0.27350 0.01850  -0.00605 -0.04322 162 TRP A CB  
1138 C CG  . TRP A 155 ? 0.28988 0.29496 0.29627 0.01785  0.00205  -0.03657 162 TRP A CG  
1139 C CD1 . TRP A 155 ? 0.25535 0.27696 0.25949 0.02220  0.01003  -0.03201 162 TRP A CD1 
1140 C CD2 . TRP A 155 ? 0.24058 0.24155 0.25709 0.01188  0.00252  -0.03269 162 TRP A CD2 
1141 N NE1 . TRP A 155 ? 0.24254 0.27083 0.25737 0.01823  0.01371  -0.02719 162 TRP A NE1 
1142 C CE2 . TRP A 155 ? 0.26318 0.27860 0.28334 0.01303  0.00874  -0.02821 162 TRP A CE2 
1143 C CE3 . TRP A 155 ? 0.25715 0.24554 0.28018 0.00609  -0.00156 -0.03152 162 TRP A CE3 
1144 C CZ2 . TRP A 155 ? 0.24859 0.26574 0.27647 0.00967  0.00890  -0.02500 162 TRP A CZ2 
1145 C CZ3 . TRP A 155 ? 0.27649 0.26626 0.30448 0.00402  0.00068  -0.02644 162 TRP A CZ3 
1146 C CH2 . TRP A 155 ? 0.24169 0.24544 0.27098 0.00633  0.00483  -0.02440 162 TRP A CH2 
1147 N N   . GLU A 156 ? 0.27669 0.24121 0.28167 0.02663  -0.01638 -0.05463 163 GLU A N   
1148 C CA  . GLU A 156 ? 0.25189 0.20149 0.26548 0.02342  -0.01882 -0.05125 163 GLU A CA  
1149 C C   . GLU A 156 ? 0.27403 0.23326 0.28678 0.03122  -0.01288 -0.04731 163 GLU A C   
1150 O O   . GLU A 156 ? 0.28944 0.26044 0.29483 0.04262  -0.00978 -0.05166 163 GLU A O   
1151 C CB  . GLU A 156 ? 0.35953 0.28347 0.37189 0.02641  -0.02990 -0.06103 163 GLU A CB  
1152 C CG  . GLU A 156 ? 0.41756 0.32162 0.43989 0.02204  -0.03261 -0.05473 163 GLU A CG  
1153 C CD  . GLU A 156 ? 0.69959 0.57466 0.72579 0.01981  -0.04509 -0.06339 163 GLU A CD  
1154 O OE1 . GLU A 156 ? 0.57373 0.43253 0.58957 0.03270  -0.05119 -0.07509 163 GLU A OE1 
1155 O OE2 . GLU A 156 ? 0.48361 0.35242 0.52441 0.00544  -0.04920 -0.05888 163 GLU A OE2 
1156 N N   . SER A 157 ? 0.25780 0.21520 0.27825 0.02609  -0.01123 -0.03855 164 SER A N   
1157 C CA  . SER A 157 ? 0.25814 0.22541 0.27893 0.03430  -0.00825 -0.03544 164 SER A CA  
1158 C C   . SER A 157 ? 0.24858 0.20393 0.27329 0.03223  -0.01020 -0.02736 164 SER A C   
1159 O O   . SER A 157 ? 0.26307 0.21565 0.29184 0.02188  -0.00913 -0.02028 164 SER A O   
1160 C CB  . SER A 157 ? 0.24317 0.23731 0.26794 0.03127  -0.00148 -0.03125 164 SER A CB  
1161 O OG  . SER A 157 ? 0.27200 0.27917 0.30055 0.03869  -0.00054 -0.02877 164 SER A OG  
1162 N N   . SER A 158 ? 0.26578 0.21580 0.28823 0.04412  -0.01233 -0.02749 165 SER A N   
1163 C CA  . SER A 158 ? 0.28368 0.22768 0.30737 0.04592  -0.01323 -0.01761 165 SER A CA  
1164 C C   . SER A 158 ? 0.29887 0.26941 0.32387 0.05200  -0.01089 -0.01484 165 SER A C   
1165 O O   . SER A 158 ? 0.34234 0.31154 0.36577 0.06080  -0.01316 -0.00920 165 SER A O   
1166 C CB  . SER A 158 ? 0.34944 0.26521 0.37030 0.05579  -0.01886 -0.01816 165 SER A CB  
1167 O OG  . SER A 158 ? 0.39139 0.28136 0.41509 0.04695  -0.02313 -0.02017 165 SER A OG  
1168 N N   . ALA A 159 ? 0.27808 0.27259 0.30719 0.04716  -0.00719 -0.01813 166 ALA A N   
1169 C CA  . ALA A 159 ? 0.29406 0.31710 0.32979 0.05022  -0.00626 -0.01715 166 ALA A CA  
1170 C C   . ALA A 159 ? 0.31940 0.35026 0.35647 0.06694  -0.00704 -0.02027 166 ALA A C   
1171 O O   . ALA A 159 ? 0.37193 0.39239 0.40400 0.07467  -0.00614 -0.02648 166 ALA A O   
1172 C CB  . ALA A 159 ? 0.31976 0.34674 0.35454 0.04665  -0.00906 -0.01070 166 ALA A CB  
1173 N N   . GLY A 160 ? 0.36453 0.41492 0.40757 0.07457  -0.00942 -0.01709 167 GLY A N   
1174 C CA  . GLY A 160 ? 0.36031 0.42343 0.40667 0.09230  -0.00923 -0.01990 167 GLY A CA  
1175 C C   . GLY A 160 ? 0.31346 0.40381 0.36870 0.09381  -0.00248 -0.02412 167 GLY A C   
1176 O O   . GLY A 160 ? 0.33430 0.43517 0.39015 0.11083  -0.00030 -0.02743 167 GLY A O   
1177 N N   . GLY A 161 ? 0.25095 0.35293 0.31253 0.07787  0.00165  -0.02309 168 GLY A N   
1178 C CA  . GLY A 161 ? 0.23801 0.37042 0.31113 0.07742  0.00934  -0.02257 168 GLY A CA  
1179 C C   . GLY A 161 ? 0.25637 0.37986 0.31847 0.07874  0.01579  -0.02614 168 GLY A C   
1180 O O   . GLY A 161 ? 0.24210 0.39190 0.31218 0.07881  0.02405  -0.02306 168 GLY A O   
1181 N N   . SER A 162 ? 0.25841 0.34780 0.30337 0.07982  0.01209  -0.03175 169 SER A N   
1182 C CA  . SER A 162 ? 0.22703 0.30933 0.25921 0.08418  0.01574  -0.03736 169 SER A CA  
1183 C C   . SER A 162 ? 0.23464 0.28705 0.25765 0.07217  0.01068  -0.03978 169 SER A C   
1184 O O   . SER A 162 ? 0.26490 0.29773 0.28908 0.06489  0.00476  -0.03807 169 SER A O   
1185 C CB  . SER A 162 ? 0.32344 0.39802 0.34276 0.10648  0.01459  -0.04683 169 SER A CB  
1186 O OG  . SER A 162 ? 0.31341 0.35268 0.32511 0.11011  0.00493  -0.05200 169 SER A OG  
1187 N N   . PHE A 163 ? 0.26694 0.31912 0.28104 0.07135  0.01352  -0.04270 170 PHE A N   
1188 C CA  . PHE A 163 ? 0.25221 0.28011 0.25824 0.06285  0.00785  -0.04649 170 PHE A CA  
1189 C C   . PHE A 163 ? 0.28324 0.30583 0.27231 0.07489  0.00628  -0.05666 170 PHE A C   
1190 O O   . PHE A 163 ? 0.29806 0.33977 0.28038 0.08870  0.01263  -0.05834 170 PHE A O   
1191 C CB  . PHE A 163 ? 0.25939 0.29381 0.27245 0.04631  0.01116  -0.03835 170 PHE A CB  
1192 C CG  . PHE A 163 ? 0.22851 0.28633 0.24217 0.04625  0.02013  -0.03270 170 PHE A CG  
1193 C CD1 . PHE A 163 ? 0.26275 0.34479 0.29084 0.04287  0.02690  -0.02440 170 PHE A CD1 
1194 C CD2 . PHE A 163 ? 0.25319 0.30939 0.25424 0.04899  0.02129  -0.03451 170 PHE A CD2 
1195 C CE1 . PHE A 163 ? 0.27567 0.37835 0.30761 0.04074  0.03606  -0.01611 170 PHE A CE1 
1196 C CE2 . PHE A 163 ? 0.24984 0.32663 0.25054 0.04940  0.03073  -0.02606 170 PHE A CE2 
1197 C CZ  . PHE A 163 ? 0.29599 0.39533 0.31324 0.04441  0.03888  -0.01579 170 PHE A CZ  
1198 N N   . THR A 164 ? 0.28017 0.27870 0.26250 0.07042  -0.00261 -0.06373 171 THR A N   
1199 C CA  . THR A 164 ? 0.28891 0.28071 0.25334 0.08152  -0.00747 -0.07599 171 THR A CA  
1200 C C   . THR A 164 ? 0.27447 0.26768 0.23651 0.07122  -0.00930 -0.07412 171 THR A C   
1201 O O   . THR A 164 ? 0.28684 0.27585 0.26174 0.05540  -0.01019 -0.06660 171 THR A O   
1202 C CB  . THR A 164 ? 0.33666 0.29615 0.29503 0.08787  -0.02058 -0.09007 171 THR A CB  
1203 O OG1 . THR A 164 ? 0.38962 0.32884 0.36154 0.07039  -0.02794 -0.08655 171 THR A OG1 
1204 C CG2 . THR A 164 ? 0.36469 0.31994 0.32310 0.10186  -0.01937 -0.09225 171 THR A CG2 
1205 N N   . VAL A 165 ? 0.33312 0.33360 0.27694 0.08264  -0.00982 -0.08105 172 VAL A N   
1206 C CA  . VAL A 165 ? 0.34070 0.34213 0.27855 0.07716  -0.01396 -0.08119 172 VAL A CA  
1207 C C   . VAL A 165 ? 0.35095 0.34028 0.26820 0.09071  -0.02629 -0.09960 172 VAL A C   
1208 O O   . VAL A 165 ? 0.35737 0.35213 0.25636 0.10970  -0.02419 -0.10798 172 VAL A O   
1209 C CB  . VAL A 165 ? 0.34390 0.37163 0.27829 0.07757  -0.00087 -0.06720 172 VAL A CB  
1210 C CG1 . VAL A 165 ? 0.33722 0.36516 0.26252 0.07551  -0.00613 -0.06728 172 VAL A CG1 
1211 C CG2 . VAL A 165 ? 0.31258 0.34858 0.26808 0.06327  0.00840  -0.05196 172 VAL A CG2 
1212 N N   . ARG A 166 ? 0.35967 0.33425 0.28023 0.08178  -0.03972 -0.10666 173 ARG A N   
1213 C CA  . ARG A 166 ? 0.37783 0.34094 0.27996 0.09267  -0.05495 -0.12608 173 ARG A CA  
1214 C C   . ARG A 166 ? 0.37199 0.34015 0.27711 0.08345  -0.06344 -0.12544 173 ARG A C   
1215 O O   . ARG A 166 ? 0.35294 0.32539 0.27871 0.06697  -0.05998 -0.11232 173 ARG A O   
1216 C CB  . ARG A 166 ? 0.48066 0.41132 0.38883 0.09145  -0.06971 -0.14171 173 ARG A CB  
1217 C CG  . ARG A 166 ? 0.47658 0.39174 0.41418 0.06832  -0.07613 -0.13512 173 ARG A CG  
1218 C CD  . ARG A 166 ? 0.60996 0.49323 0.55735 0.06612  -0.08456 -0.14240 173 ARG A CD  
1219 N NE  . ARG A 166 ? 0.63000 0.51551 0.58345 0.06799  -0.07106 -0.12981 173 ARG A NE  
1220 C CZ  . ARG A 166 ? 0.74970 0.61191 0.70399 0.07442  -0.07421 -0.13440 173 ARG A CZ  
1221 N NH1 . ARG A 166 ? 0.65140 0.48130 0.60226 0.07805  -0.09039 -0.15130 173 ARG A NH1 
1222 N NH2 . ARG A 166 ? 0.71171 0.58216 0.67078 0.07769  -0.06206 -0.12214 173 ARG A NH2 
1223 N N   . THR A 167 ? 0.41464 0.38365 0.29769 0.09622  -0.07518 -0.14050 174 THR A N   
1224 C CA  . THR A 167 ? 0.39946 0.37192 0.28723 0.08835  -0.08807 -0.14347 174 THR A CA  
1225 C C   . THR A 167 ? 0.52614 0.47687 0.44253 0.06942  -0.10242 -0.14967 174 THR A C   
1226 O O   . THR A 167 ? 0.52310 0.44920 0.44255 0.06954  -0.11115 -0.16224 174 THR A O   
1227 C CB  . THR A 167 ? 0.55254 0.52986 0.40866 0.10762  -0.10070 -0.16113 174 THR A CB  
1228 O OG1 . THR A 167 ? 0.59342 0.59517 0.42437 0.12443  -0.08446 -0.15003 174 THR A OG1 
1229 C CG2 . THR A 167 ? 0.73033 0.71237 0.59415 0.09942  -0.11755 -0.16611 174 THR A CG2 
1230 N N   . ASP A 168 ? 0.44276 0.40271 0.38156 0.05349  -0.10378 -0.13915 175 ASP A N   
1231 C CA  . ASP A 168 ? 0.49246 0.43816 0.46281 0.03400  -0.11421 -0.14013 175 ASP A CA  
1232 C C   . ASP A 168 ? 0.56842 0.51280 0.54213 0.03170  -0.13725 -0.15693 175 ASP A C   
1233 O O   . ASP A 168 ? 0.60280 0.56894 0.57449 0.03333  -0.14076 -0.15435 175 ASP A O   
1234 C CB  . ASP A 168 ? 0.46300 0.42237 0.45819 0.01886  -0.10173 -0.11895 175 ASP A CB  
1235 C CG  . ASP A 168 ? 0.63297 0.58142 0.66153 -0.00053 -0.10897 -0.11633 175 ASP A CG  
1236 O OD1 . ASP A 168 ? 0.72505 0.64917 0.75956 -0.00423 -0.11405 -0.12241 175 ASP A OD1 
1237 O OD2 . ASP A 168 ? 0.49335 0.45803 0.54270 -0.01124 -0.10915 -0.10717 175 ASP A OD2 
1238 N N   . THR A 169 ? 0.75997 0.67799 0.73953 0.02816  -0.15402 -0.17428 176 THR A N   
1239 C CA  . THR A 169 ? 1.01132 0.92842 1.00083 0.02270  -0.17195 -0.18421 176 THR A CA  
1240 C C   . THR A 169 ? 0.89258 0.81090 0.92502 -0.00240 -0.17703 -0.17448 176 THR A C   
1241 O O   . THR A 169 ? 0.77911 0.69914 0.82559 -0.01000 -0.19144 -0.18097 176 THR A O   
1242 C CB  . THR A 169 ? 0.94521 0.83642 0.92121 0.03178  -0.18054 -0.19937 176 THR A CB  
1243 O OG1 . THR A 169 ? 0.94699 0.81410 0.93045 0.02804  -0.17228 -0.19434 176 THR A OG1 
1244 C CG2 . THR A 169 ? 0.81818 0.71786 0.75266 0.05838  -0.17864 -0.20995 176 THR A CG2 
1245 N N   . GLY A 170 ? 0.86167 0.78124 0.91552 -0.01487 -0.16482 -0.15836 177 GLY A N   
1246 C CA  . GLY A 170 ? 0.90574 0.83042 1.00036 -0.03727 -0.16538 -0.14511 177 GLY A CA  
1247 C C   . GLY A 170 ? 0.57374 0.53204 0.68565 -0.04317 -0.16958 -0.13971 177 GLY A C   
1248 O O   . GLY A 170 ? 0.68731 0.66148 0.77979 -0.03062 -0.17756 -0.14932 177 GLY A O   
1249 N N   . GLU A 171 ? 0.69541 0.66662 0.84300 -0.06042 -0.16303 -0.12273 178 GLU A N   
1250 C CA  . GLU A 171 ? 0.60505 0.61093 0.77595 -0.06669 -0.16572 -0.11509 178 GLU A CA  
1251 C C   . GLU A 171 ? 0.50631 0.53428 0.65170 -0.04933 -0.15546 -0.11023 178 GLU A C   
1252 O O   . GLU A 171 ? 0.40540 0.43167 0.53715 -0.04337 -0.13477 -0.09684 178 GLU A O   
1253 C CB  . GLU A 171 ? 0.62540 0.64174 0.83391 -0.08430 -0.15314 -0.09368 178 GLU A CB  
1254 C CG  . GLU A 171 ? 0.62899 0.67617 0.86970 -0.09503 -0.15809 -0.08660 178 GLU A CG  
1255 C CD  . GLU A 171 ? 0.68482 0.72516 0.92808 -0.09950 -0.17734 -0.10169 178 GLU A CD  
1256 O OE1 . GLU A 171 ? 0.68926 0.75192 0.92965 -0.09322 -0.18913 -0.11000 178 GLU A OE1 
1257 O OE2 . GLU A 171 ? 0.60184 0.61440 0.84967 -0.10841 -0.18120 -0.10517 178 GLU A OE2 
1258 N N   . PRO A 172 ? 0.48679 0.53411 0.62313 -0.04011 -0.16848 -0.11944 179 PRO A N   
1259 C CA  . PRO A 172 ? 0.47955 0.54573 0.59151 -0.02324 -0.15641 -0.11037 179 PRO A CA  
1260 C C   . PRO A 172 ? 0.47659 0.56237 0.61043 -0.02872 -0.13937 -0.08905 179 PRO A C   
1261 O O   . PRO A 172 ? 0.58828 0.69121 0.75864 -0.04204 -0.14358 -0.08343 179 PRO A O   
1262 C CB  . PRO A 172 ? 0.49624 0.58126 0.60111 -0.01432 -0.17729 -0.12369 179 PRO A CB  
1263 C CG  . PRO A 172 ? 0.53545 0.60702 0.65333 -0.02476 -0.19848 -0.14166 179 PRO A CG  
1264 C CD  . PRO A 172 ? 0.60556 0.65023 0.74142 -0.04056 -0.19153 -0.13814 179 PRO A CD  
1265 N N   . MET A 173 ? 0.39206 0.47615 0.50411 -0.01790 -0.12019 -0.07733 180 MET A N   
1266 C CA  . MET A 173 ? 0.39950 0.49781 0.52691 -0.02010 -0.10409 -0.05959 180 MET A CA  
1267 C C   . MET A 173 ? 0.52013 0.63970 0.64005 -0.00676 -0.10247 -0.05319 180 MET A C   
1268 O O   . MET A 173 ? 0.57551 0.70926 0.71086 -0.00694 -0.09217 -0.04074 180 MET A O   
1269 C CB  . MET A 173 ? 0.42720 0.50754 0.54057 -0.01895 -0.08439 -0.05034 180 MET A CB  
1270 C CG  . MET A 173 ? 0.58273 0.63781 0.68741 -0.02351 -0.08428 -0.05713 180 MET A CG  
1271 S SD  . MET A 173 ? 0.56263 0.60481 0.64185 -0.01508 -0.06431 -0.04849 180 MET A SD  
1272 C CE  . MET A 173 ? 0.47936 0.53658 0.57367 -0.01702 -0.05069 -0.03258 180 MET A CE  
1273 N N   . GLY A 174 ? 0.37474 0.49628 0.46941 0.00676  -0.11150 -0.06056 181 GLY A N   
1274 C CA  . GLY A 174 ? 0.33835 0.47805 0.42486 0.02083  -0.11018 -0.05251 181 GLY A CA  
1275 C C   . GLY A 174 ? 0.31699 0.44305 0.37810 0.03145  -0.09149 -0.04031 181 GLY A C   
1276 O O   . GLY A 174 ? 0.35905 0.48259 0.39187 0.04534  -0.09169 -0.03921 181 GLY A O   
1277 N N   . ARG A 175 ? 0.25459 0.37209 0.32573 0.02497  -0.07571 -0.03075 182 ARG A N   
1278 C CA  . ARG A 175 ? 0.24986 0.35076 0.30125 0.03122  -0.05933 -0.02094 182 ARG A CA  
1279 C C   . ARG A 175 ? 0.24149 0.33365 0.30718 0.02109  -0.04699 -0.01612 182 ARG A C   
1280 O O   . ARG A 175 ? 0.26641 0.37199 0.35572 0.01601  -0.04662 -0.01339 182 ARG A O   
1281 C CB  . ARG A 175 ? 0.23167 0.33932 0.27452 0.04537  -0.05582 -0.01049 182 ARG A CB  
1282 C CG  . ARG A 175 ? 0.27917 0.36580 0.30249 0.05030  -0.04083 -0.00041 182 ARG A CG  
1283 C CD  . ARG A 175 ? 0.24640 0.33282 0.26865 0.06156  -0.03531 0.01100  182 ARG A CD  
1284 N NE  . ARG A 175 ? 0.25494 0.35064 0.30036 0.05904  -0.03278 0.01160  182 ARG A NE  
1285 C CZ  . ARG A 175 ? 0.23321 0.35249 0.29485 0.06546  -0.03977 0.01233  182 ARG A CZ  
1286 N NH1 . ARG A 175 ? 0.26046 0.39597 0.31774 0.07491  -0.05186 0.01175  182 ARG A NH1 
1287 N NH2 . ARG A 175 ? 0.22571 0.35551 0.30835 0.06366  -0.03453 0.01397  182 ARG A NH2 
1288 N N   . GLY A 176 ? 0.30753 0.35198 0.23034 0.04481  -0.04612 0.06532  183 GLY A N   
1289 C CA  . GLY A 176 ? 0.28716 0.31890 0.24412 0.03745  -0.03672 0.05684  183 GLY A CA  
1290 C C   . GLY A 176 ? 0.34299 0.36550 0.29577 0.02800  -0.02730 0.04070  183 GLY A C   
1291 O O   . GLY A 176 ? 0.32590 0.34780 0.25124 0.03052  -0.02072 0.03985  183 GLY A O   
1292 N N   . THR A 177 ? 0.25317 0.26984 0.23175 0.02025  -0.02516 0.02945  184 THR A N   
1293 C CA  . THR A 177 ? 0.25308 0.26340 0.23338 0.01409  -0.01649 0.01793  184 THR A CA  
1294 C C   . THR A 177 ? 0.33678 0.34580 0.33166 0.00707  -0.02358 0.00245  184 THR A C   
1295 O O   . THR A 177 ? 0.28226 0.29402 0.29737 0.00526  -0.02741 0.00341  184 THR A O   
1296 C CB  . THR A 177 ? 0.29440 0.29769 0.29194 0.00974  -0.00306 0.02758  184 THR A CB  
1297 O OG1 . THR A 177 ? 0.33711 0.34206 0.32179 0.01355  0.00588  0.04541  184 THR A OG1 
1298 C CG2 . THR A 177 ? 0.30762 0.31497 0.31454 0.00478  0.00331  0.01851  184 THR A CG2 
1299 N N   . LYS A 178 ? 0.27973 0.28257 0.26204 0.00544  -0.02304 -0.01015 185 LYS A N   
1300 C CA  . LYS A 178 ? 0.26566 0.26149 0.25777 -0.00177 -0.02802 -0.02213 185 LYS A CA  
1301 C C   . LYS A 178 ? 0.24576 0.23525 0.24275 0.00099  -0.01675 -0.02451 185 LYS A C   
1302 O O   . LYS A 178 ? 0.31711 0.30298 0.29638 0.00962  -0.00925 -0.02651 185 LYS A O   
1303 C CB  . LYS A 178 ? 0.36209 0.34824 0.33018 -0.00617 -0.04053 -0.03425 185 LYS A CB  
1304 C CG  . LYS A 178 ? 0.46117 0.43039 0.43244 -0.01517 -0.04466 -0.04526 185 LYS A CG  
1305 C CD  . LYS A 178 ? 0.56004 0.52115 0.51491 -0.02847 -0.06334 -0.05482 185 LYS A CD  
1306 C CE  . LYS A 178 ? 0.55008 0.53969 0.50778 -0.03069 -0.07622 -0.04666 185 LYS A CE  
1307 N NZ  . LYS A 178 ? 0.82319 0.81456 0.77257 -0.04925 -0.09949 -0.05436 185 LYS A NZ  
1308 N N   . VAL A 179 ? 0.24135 0.23245 0.26056 -0.00393 -0.01517 -0.02323 186 VAL A N   
1309 C CA  . VAL A 179 ? 0.24753 0.23972 0.27459 -0.00177 -0.00866 -0.02328 186 VAL A CA  
1310 C C   . VAL A 179 ? 0.28757 0.26649 0.31240 -0.00339 -0.01292 -0.03102 186 VAL A C   
1311 O O   . VAL A 179 ? 0.27861 0.25679 0.31310 -0.01082 -0.01728 -0.03128 186 VAL A O   
1312 C CB  . VAL A 179 ? 0.24484 0.24572 0.29160 -0.00819 -0.00690 -0.01632 186 VAL A CB  
1313 C CG1 . VAL A 179 ? 0.25001 0.26087 0.30745 -0.00734 -0.00505 -0.01486 186 VAL A CG1 
1314 C CG2 . VAL A 179 ? 0.23208 0.23924 0.28121 -0.00970 -0.00190 -0.00583 186 VAL A CG2 
1315 N N   . ILE A 180 ? 0.24864 0.21470 0.25882 0.00541  -0.00951 -0.03576 187 ILE A N   
1316 C CA  . ILE A 180 ? 0.27713 0.22001 0.28028 0.00442  -0.01277 -0.04127 187 ILE A CA  
1317 C C   . ILE A 180 ? 0.29326 0.24311 0.30789 0.01378  -0.00691 -0.03435 187 ILE A C   
1318 O O   . ILE A 180 ? 0.27651 0.23351 0.28935 0.02907  0.00145  -0.03134 187 ILE A O   
1319 C CB  . ILE A 180 ? 0.32249 0.23339 0.29393 0.00950  -0.01421 -0.05278 187 ILE A CB  
1320 C CG1 . ILE A 180 ? 0.35294 0.26444 0.31163 -0.00119 -0.02453 -0.05867 187 ILE A CG1 
1321 C CG2 . ILE A 180 ? 0.36218 0.23909 0.32582 0.00531  -0.01788 -0.05672 187 ILE A CG2 
1322 C CD1 . ILE A 180 ? 0.44665 0.32451 0.36349 0.00308  -0.02827 -0.07327 187 ILE A CD1 
1323 N N   . LEU A 181 ? 0.24695 0.19922 0.27302 0.00643  -0.01086 -0.03005 188 LEU A N   
1324 C CA  . LEU A 181 ? 0.24986 0.21212 0.28474 0.01407  -0.00964 -0.02180 188 LEU A CA  
1325 C C   . LEU A 181 ? 0.29973 0.23090 0.32043 0.02143  -0.00869 -0.02097 188 LEU A C   
1326 O O   . LEU A 181 ? 0.32140 0.23473 0.33715 0.01006  -0.01213 -0.02094 188 LEU A O   
1327 C CB  . LEU A 181 ? 0.24127 0.21920 0.28638 0.00306  -0.01493 -0.01809 188 LEU A CB  
1328 C CG  . LEU A 181 ? 0.25682 0.25000 0.31050 -0.00599 -0.01637 -0.02013 188 LEU A CG  
1329 C CD1 . LEU A 181 ? 0.28474 0.27936 0.33637 -0.01389 -0.02074 -0.02064 188 LEU A CD1 
1330 C CD2 . LEU A 181 ? 0.25229 0.26774 0.31891 -0.00295 -0.01464 -0.01472 188 LEU A CD2 
1331 N N   . HIS A 182 ? 0.30368 0.22838 0.31901 0.04151  -0.00242 -0.01791 189 HIS A N   
1332 C CA  . HIS A 182 ? 0.31240 0.20008 0.31212 0.05301  -0.00033 -0.01453 189 HIS A CA  
1333 C C   . HIS A 182 ? 0.32084 0.23265 0.33542 0.05805  -0.00367 0.00126  189 HIS A C   
1334 O O   . HIS A 182 ? 0.31247 0.25778 0.34284 0.07349  -0.00223 0.01066  189 HIS A O   
1335 C CB  . HIS A 182 ? 0.33164 0.19669 0.31383 0.07847  0.01011  -0.01881 189 HIS A CB  
1336 C CG  . HIS A 182 ? 0.41218 0.25720 0.37204 0.07438  0.01198  -0.03549 189 HIS A CG  
1337 N ND1 . HIS A 182 ? 0.50053 0.28709 0.42583 0.06977  0.00901  -0.04976 189 HIS A ND1 
1338 C CD2 . HIS A 182 ? 0.36684 0.24133 0.33081 0.07253  0.01476  -0.03928 189 HIS A CD2 
1339 C CE1 . HIS A 182 ? 0.51677 0.30058 0.42336 0.06638  0.00832  -0.06311 189 HIS A CE1 
1340 N NE2 . HIS A 182 ? 0.45698 0.29420 0.38648 0.06957  0.01315  -0.05555 189 HIS A NE2 
1341 N N   . LEU A 183 ? 0.32855 0.22963 0.33889 0.04412  -0.00868 0.00579  190 LEU A N   
1342 C CA  . LEU A 183 ? 0.34955 0.27849 0.36732 0.04444  -0.01441 0.01843  190 LEU A CA  
1343 C C   . LEU A 183 ? 0.33964 0.26305 0.35391 0.06756  -0.01363 0.03422  190 LEU A C   
1344 O O   . LEU A 183 ? 0.38932 0.26882 0.38825 0.07979  -0.00711 0.03663  190 LEU A O   
1345 C CB  . LEU A 183 ? 0.32682 0.24620 0.33558 0.02652  -0.01590 0.02022  190 LEU A CB  
1346 C CG  . LEU A 183 ? 0.30883 0.24209 0.32415 0.00878  -0.01623 0.00861  190 LEU A CG  
1347 C CD1 . LEU A 183 ? 0.34561 0.27698 0.35367 -0.00257 -0.01345 0.01407  190 LEU A CD1 
1348 C CD2 . LEU A 183 ? 0.35384 0.32014 0.37982 0.00838  -0.02133 0.00378  190 LEU A CD2 
1349 N N   . LYS A 184 ? 0.32847 0.29468 0.35548 0.07343  -0.02189 0.04550  191 LYS A N   
1350 C CA  . LYS A 184 ? 0.36427 0.33384 0.38916 0.09594  -0.02428 0.06534  191 LYS A CA  
1351 C C   . LYS A 184 ? 0.39481 0.32429 0.39386 0.09190  -0.02313 0.07493  191 LYS A C   
1352 O O   . LYS A 184 ? 0.40535 0.32711 0.39407 0.06976  -0.02344 0.06905  191 LYS A O   
1353 C CB  . LYS A 184 ? 0.38425 0.41503 0.42790 0.09671  -0.03903 0.07587  191 LYS A CB  
1354 C CG  . LYS A 184 ? 0.40850 0.48774 0.48535 0.09847  -0.04031 0.07325  191 LYS A CG  
1355 C CD  . LYS A 184 ? 0.39085 0.52431 0.48353 0.08070  -0.06014 0.07679  191 LYS A CD  
1356 C CE  . LYS A 184 ? 0.43251 0.61601 0.56334 0.07581  -0.06134 0.07755  191 LYS A CE  
1357 N NZ  . LYS A 184 ? 0.46911 0.70741 0.61918 0.05746  -0.08475 0.08456  191 LYS A NZ  
1358 N N   . GLU A 185 ? 0.42704 0.33246 0.41654 0.11570  -0.01997 0.09276  192 GLU A N   
1359 C CA  . GLU A 185 ? 0.48575 0.34353 0.44977 0.11225  -0.01596 0.10589  192 GLU A CA  
1360 C C   . GLU A 185 ? 0.57397 0.45835 0.52707 0.09724  -0.02354 0.11534  192 GLU A C   
1361 O O   . GLU A 185 ? 0.55612 0.41119 0.49195 0.08211  -0.01706 0.12083  192 GLU A O   
1362 C CB  . GLU A 185 ? 0.57086 0.39736 0.52539 0.14547  -0.01161 0.12665  192 GLU A CB  
1363 C CG  . GLU A 185 ? 0.89038 0.67173 0.81905 0.14398  -0.00868 0.14757  192 GLU A CG  
1364 C CD  . GLU A 185 ? 1.16740 0.94239 1.09534 0.16954  -0.00946 0.16201  192 GLU A CD  
1365 O OE1 . GLU A 185 ? 1.06304 0.87006 1.01048 0.19185  -0.01044 0.15869  192 GLU A OE1 
1366 O OE2 . GLU A 185 ? 1.26367 1.00383 1.17291 0.16738  -0.00789 0.17844  192 GLU A OE2 
1367 N N   . ASP A 186 ? 0.44648 0.38620 0.40754 0.09972  -0.03704 0.11724  193 ASP A N   
1368 C CA  . ASP A 186 ? 0.45349 0.41387 0.39296 0.08865  -0.04535 0.12352  193 ASP A CA  
1369 C C   . ASP A 186 ? 0.41015 0.38751 0.34915 0.06386  -0.04671 0.10051  193 ASP A C   
1370 O O   . ASP A 186 ? 0.41342 0.40929 0.33025 0.05640  -0.05448 0.09983  193 ASP A O   
1371 C CB  . ASP A 186 ? 0.49757 0.50316 0.43698 0.10478  -0.06375 0.13979  193 ASP A CB  
1372 C CG  . ASP A 186 ? 0.55462 0.61202 0.52616 0.10179  -0.07710 0.12791  193 ASP A CG  
1373 O OD1 . ASP A 186 ? 0.65761 0.71091 0.65111 0.09402  -0.06884 0.11027  193 ASP A OD1 
1374 O OD2 . ASP A 186 ? 0.63661 0.74133 0.61142 0.10544  -0.09709 0.13804  193 ASP A OD2 
1375 N N   . GLN A 187 ? 0.35723 0.32467 0.31496 0.05321  -0.03912 0.08188  194 GLN A N   
1376 C CA  . GLN A 187 ? 0.31877 0.29897 0.27802 0.03434  -0.03941 0.06195  194 GLN A CA  
1377 C C   . GLN A 187 ? 0.35396 0.30710 0.31256 0.02184  -0.02471 0.05557  194 GLN A C   
1378 O O   . GLN A 187 ? 0.34972 0.30868 0.31846 0.01104  -0.02227 0.03965  194 GLN A O   
1379 C CB  . GLN A 187 ? 0.34916 0.35333 0.33476 0.03207  -0.04600 0.04863  194 GLN A CB  
1380 C CG  . GLN A 187 ? 0.32190 0.36669 0.31802 0.03889  -0.06271 0.05644  194 GLN A CG  
1381 C CD  . GLN A 187 ? 0.37987 0.44093 0.35037 0.02927  -0.07756 0.05572  194 GLN A CD  
1382 O OE1 . GLN A 187 ? 0.41401 0.46179 0.36445 0.01503  -0.07537 0.04082  194 GLN A OE1 
1383 N NE2 . GLN A 187 ? 0.38071 0.47065 0.34910 0.03903  -0.09326 0.07159  194 GLN A NE2 
1384 N N   . THR A 188 ? 0.40736 0.33266 0.35629 0.02223  -0.01562 0.07040  195 THR A N   
1385 C CA  . THR A 188 ? 0.46374 0.37060 0.42020 0.00632  -0.00423 0.06741  195 THR A CA  
1386 C C   . THR A 188 ? 0.44410 0.37051 0.39293 -0.00354 0.00394  0.06645  195 THR A C   
1387 O O   . THR A 188 ? 0.41239 0.33730 0.37523 -0.01671 0.01326  0.06620  195 THR A O   
1388 C CB  . THR A 188 ? 0.44670 0.31360 0.39753 0.00470  0.00223  0.08507  195 THR A CB  
1389 O OG1 . THR A 188 ? 0.51150 0.37781 0.43952 0.01179  0.00523  0.10736  195 THR A OG1 
1390 C CG2 . THR A 188 ? 0.48703 0.32401 0.44092 0.01855  -0.00227 0.08252  195 THR A CG2 
1391 N N   . GLU A 189 ? 0.40358 0.34927 0.32944 0.00324  0.00046  0.06578  196 GLU A N   
1392 C CA  . GLU A 189 ? 0.39432 0.35387 0.30627 -0.00050 0.01118  0.06109  196 GLU A CA  
1393 C C   . GLU A 189 ? 0.33889 0.30673 0.27301 -0.00664 0.01356  0.04209  196 GLU A C   
1394 O O   . GLU A 189 ? 0.36890 0.34694 0.30435 -0.00831 0.02732  0.04157  196 GLU A O   
1395 C CB  . GLU A 189 ? 0.41075 0.38057 0.28427 0.00808  0.00357  0.05726  196 GLU A CB  
1396 C CG  . GLU A 189 ? 0.40248 0.38048 0.27846 0.00720  -0.01453 0.03696  196 GLU A CG  
1397 C CD  . GLU A 189 ? 0.51646 0.50229 0.35301 0.01096  -0.02918 0.03431  196 GLU A CD  
1398 O OE1 . GLU A 189 ? 0.51524 0.50997 0.34671 0.01706  -0.04165 0.04923  196 GLU A OE1 
1399 O OE2 . GLU A 189 ? 0.48658 0.46762 0.29439 0.00886  -0.02923 0.01734  196 GLU A OE2 
1400 N N   . TYR A 190 ? 0.34590 0.31239 0.29801 -0.00760 0.00200  0.02930  197 TYR A N   
1401 C CA  . TYR A 190 ? 0.32032 0.29260 0.29044 -0.01182 0.00295  0.01406  197 TYR A CA  
1402 C C   . TYR A 190 ? 0.31839 0.28927 0.31489 -0.02029 0.00895  0.01741  197 TYR A C   
1403 O O   . TYR A 190 ? 0.34128 0.31869 0.35387 -0.02266 0.00782  0.00764  197 TYR A O   
1404 C CB  . TYR A 190 ? 0.32679 0.30104 0.30401 -0.01085 -0.01059 0.00282  197 TYR A CB  
1405 C CG  . TYR A 190 ? 0.33425 0.31420 0.28801 -0.00868 -0.02083 -0.00098 197 TYR A CG  
1406 C CD1 . TYR A 190 ? 0.32977 0.30483 0.25955 -0.00937 -0.01870 -0.01215 197 TYR A CD1 
1407 C CD2 . TYR A 190 ? 0.33892 0.32830 0.29152 -0.00487 -0.03335 0.00704  197 TYR A CD2 
1408 C CE1 . TYR A 190 ? 0.37020 0.34460 0.27088 -0.01103 -0.03170 -0.01860 197 TYR A CE1 
1409 C CE2 . TYR A 190 ? 0.38625 0.38634 0.31771 -0.00650 -0.04754 0.00428  197 TYR A CE2 
1410 C CZ  . TYR A 190 ? 0.34599 0.33591 0.24885 -0.01194 -0.04804 -0.01016 197 TYR A CZ  
1411 O OH  . TYR A 190 ? 0.39692 0.39114 0.27112 -0.01713 -0.06557 -0.01643 197 TYR A OH  
1412 N N   . LEU A 191 ? 0.30467 0.26568 0.30424 -0.02657 0.01357  0.03211  198 LEU A N   
1413 C CA  . LEU A 191 ? 0.31964 0.28145 0.34279 -0.04100 0.01719  0.03685  198 LEU A CA  
1414 C C   . LEU A 191 ? 0.36080 0.34578 0.39155 -0.04674 0.03223  0.05136  198 LEU A C   
1415 O O   . LEU A 191 ? 0.36073 0.35872 0.41861 -0.06181 0.03436  0.05802  198 LEU A O   
1416 C CB  . LEU A 191 ? 0.32738 0.25539 0.34974 -0.04886 0.01172  0.04358  198 LEU A CB  
1417 C CG  . LEU A 191 ? 0.32918 0.23569 0.34404 -0.03834 0.00134  0.03150  198 LEU A CG  
1418 C CD1 . LEU A 191 ? 0.42902 0.29163 0.43438 -0.04036 -0.00060 0.03829  198 LEU A CD1 
1419 C CD2 . LEU A 191 ? 0.38753 0.30466 0.41541 -0.04103 -0.00446 0.01485  198 LEU A CD2 
1420 N N   . GLU A 192 ? 0.31433 0.30776 0.32121 -0.03549 0.04251  0.05746  199 GLU A N   
1421 C CA  . GLU A 192 ? 0.31854 0.33690 0.32863 -0.03669 0.06191  0.07419  199 GLU A CA  
1422 C C   . GLU A 192 ? 0.33672 0.38375 0.35660 -0.02595 0.07141  0.06447  199 GLU A C   
1423 O O   . GLU A 192 ? 0.32188 0.35958 0.32044 -0.01186 0.06705  0.04608  199 GLU A O   
1424 C CB  . GLU A 192 ? 0.40954 0.42097 0.37989 -0.02617 0.07037  0.08584  199 GLU A CB  
1425 C CG  . GLU A 192 ? 0.47208 0.45495 0.43352 -0.03316 0.06373  0.10204  199 GLU A CG  
1426 C CD  . GLU A 192 ? 0.96059 0.93814 0.87796 -0.01971 0.06791  0.11425  199 GLU A CD  
1427 O OE1 . GLU A 192 ? 0.98705 0.94138 0.88886 -0.01460 0.05483  0.11860  199 GLU A OE1 
1428 O OE2 . GLU A 192 ? 1.03030 1.02835 0.92644 -0.01178 0.08467  0.12037  199 GLU A OE2 
1429 N N   . GLU A 193 ? 0.30914 0.32686 0.36861 -0.02621 0.00504  0.05820  200 GLU A N   
1430 C CA  . GLU A 193 ? 0.28024 0.32536 0.34259 -0.02837 0.01153  0.04793  200 GLU A CA  
1431 C C   . GLU A 193 ? 0.27530 0.34356 0.31960 -0.02138 0.01844  0.04904  200 GLU A C   
1432 O O   . GLU A 193 ? 0.28509 0.36225 0.32267 -0.01483 0.01960  0.03461  200 GLU A O   
1433 C CB  . GLU A 193 ? 0.31711 0.37372 0.39722 -0.04381 0.01496  0.05634  200 GLU A CB  
1434 C CG  . GLU A 193 ? 0.38475 0.46881 0.47241 -0.04202 0.01979  0.04490  200 GLU A CG  
1435 C CD  . GLU A 193 ? 0.67860 0.78880 0.78942 -0.05638 0.02406  0.05710  200 GLU A CD  
1436 O OE1 . GLU A 193 ? 0.41902 0.52673 0.53959 -0.07082 0.02453  0.07638  200 GLU A OE1 
1437 O OE2 . GLU A 193 ? 0.53636 0.67180 0.65780 -0.05345 0.02666  0.04968  200 GLU A OE2 
1438 N N   . ARG A 194 ? 0.32019 0.39462 0.35273 -0.02269 0.02223  0.06616  201 ARG A N   
1439 C CA  . ARG A 194 ? 0.30361 0.39753 0.31146 -0.01546 0.02806  0.06480  201 ARG A CA  
1440 C C   . ARG A 194 ? 0.33792 0.42549 0.33094 -0.00727 0.01811  0.05239  201 ARG A C   
1441 O O   . ARG A 194 ? 0.32172 0.41625 0.29623 -0.00269 0.01887  0.04017  201 ARG A O   
1442 C CB  . ARG A 194 ? 0.34894 0.45294 0.34290 -0.01783 0.03456  0.08770  201 ARG A CB  
1443 C CG  . ARG A 194 ? 0.37528 0.46136 0.36424 -0.01723 0.02530  0.10320  201 ARG A CG  
1444 C CD  . ARG A 194 ? 0.43823 0.53843 0.40598 -0.01790 0.03305  0.12709  201 ARG A CD  
1445 N NE  . ARG A 194 ? 0.66226 0.74419 0.62556 -0.01667 0.02451  0.14751  201 ARG A NE  
1446 C CZ  . ARG A 194 ? 0.52933 0.61800 0.47562 -0.01819 0.02991  0.17426  201 ARG A CZ  
1447 N NH1 . ARG A 194 ? 0.63635 0.75310 0.56960 -0.02137 0.04582  0.18427  201 ARG A NH1 
1448 N NH2 . ARG A 194 ? 0.75393 0.82271 0.69531 -0.01405 0.02022  0.19313  201 ARG A NH2 
1449 N N   . ARG A 195 ? 0.28237 0.35664 0.28432 -0.00521 0.00828  0.05552  202 ARG A N   
1450 C CA  . ARG A 195 ? 0.28325 0.36118 0.27992 0.00031  -0.00173 0.04736  202 ARG A CA  
1451 C C   . ARG A 195 ? 0.28909 0.36662 0.29546 -0.00004 -0.00188 0.02921  202 ARG A C   
1452 O O   . ARG A 195 ? 0.27498 0.35824 0.27148 -0.00097 -0.00687 0.02002  202 ARG A O   
1453 C CB  . ARG A 195 ? 0.28411 0.35496 0.29209 0.00675  -0.00982 0.05845  202 ARG A CB  
1454 C CG  . ARG A 195 ? 0.27821 0.36461 0.28879 0.01200  -0.02077 0.05530  202 ARG A CG  
1455 C CD  . ARG A 195 ? 0.35327 0.45517 0.33987 0.00963  -0.02909 0.06008  202 ARG A CD  
1456 N NE  . ARG A 195 ? 0.29619 0.41794 0.29151 0.01172  -0.04325 0.06123  202 ARG A NE  
1457 C CZ  . ARG A 195 ? 0.34322 0.47759 0.33183 0.00290  -0.05283 0.05019  202 ARG A CZ  
1458 N NH1 . ARG A 195 ? 0.33088 0.45351 0.29739 -0.00500 -0.04969 0.03526  202 ARG A NH1 
1459 N NH2 . ARG A 195 ? 0.31268 0.47173 0.31803 0.00217  -0.06663 0.05501  202 ARG A NH2 
1460 N N   . ILE A 196 ? 0.26867 0.33716 0.29236 -0.00045 0.00197  0.02459  203 ILE A N   
1461 C CA  . ILE A 196 ? 0.25354 0.32248 0.28358 0.00030  0.00264  0.01040  203 ILE A CA  
1462 C C   . ILE A 196 ? 0.26060 0.33400 0.27778 -0.00143 0.00751  0.00228  203 ILE A C   
1463 O O   . ILE A 196 ? 0.26631 0.33793 0.27685 -0.00141 0.00462  -0.00662 203 ILE A O   
1464 C CB  . ILE A 196 ? 0.24293 0.30107 0.28759 0.00133  0.00428  0.00644  203 ILE A CB  
1465 C CG1 . ILE A 196 ? 0.28240 0.32852 0.33391 0.00840  -0.00013 0.01126  203 ILE A CG1 
1466 C CG2 . ILE A 196 ? 0.26041 0.32147 0.30738 0.00327  0.00560  -0.00552 203 ILE A CG2 
1467 C CD1 . ILE A 196 ? 0.28624 0.31022 0.34336 0.00797  -0.00106 0.00753  203 ILE A CD1 
1468 N N   . LYS A 197 ? 0.25745 0.33652 0.27133 -0.00228 0.01533  0.00664  204 LYS A N   
1469 C CA  . LYS A 197 ? 0.26530 0.35007 0.26547 0.00226  0.02231  -0.00089 204 LYS A CA  
1470 C C   . LYS A 197 ? 0.28141 0.35949 0.25329 0.00508  0.01787  -0.00762 204 LYS A C   
1471 O O   . LYS A 197 ? 0.30480 0.37194 0.26371 0.00901  0.01735  -0.02017 204 LYS A O   
1472 C CB  . LYS A 197 ? 0.30432 0.40678 0.30692 0.00270  0.03355  0.00925  204 LYS A CB  
1473 C CG  . LYS A 197 ? 0.43992 0.55337 0.46930 -0.00119 0.03699  0.01180  204 LYS A CG  
1474 C CD  . LYS A 197 ? 0.49354 0.63503 0.52882 -0.00152 0.04944  0.02467  204 LYS A CD  
1475 C CE  . LYS A 197 ? 0.68651 0.83872 0.75363 -0.01622 0.04752  0.03695  204 LYS A CE  
1476 N NZ  . LYS A 197 ? 0.73816 0.90018 0.80851 -0.02638 0.05302  0.05858  204 LYS A NZ  
1477 N N   . GLU A 198 ? 0.26352 0.34493 0.22311 0.00302  0.01291  0.00078  205 GLU A N   
1478 C CA  . GLU A 198 ? 0.30105 0.37646 0.23025 0.00354  0.00438  -0.00639 205 GLU A CA  
1479 C C   . GLU A 198 ? 0.29620 0.36044 0.23088 -0.00306 -0.00831 -0.01667 205 GLU A C   
1480 O O   . GLU A 198 ? 0.31178 0.35999 0.22370 -0.00437 -0.01421 -0.02991 205 GLU A O   
1481 C CB  . GLU A 198 ? 0.27081 0.35611 0.18958 0.00226  -0.00157 0.00775  205 GLU A CB  
1482 C CG  . GLU A 198 ? 0.35501 0.43712 0.24308 0.00028  -0.01625 0.00091  205 GLU A CG  
1483 C CD  . GLU A 198 ? 0.38771 0.48365 0.26784 0.00068  -0.02374 0.01816  205 GLU A CD  
1484 O OE1 . GLU A 198 ? 0.38356 0.48627 0.29290 -0.00019 -0.02655 0.03179  205 GLU A OE1 
1485 O OE2 . GLU A 198 ? 0.38950 0.48785 0.23140 0.00410  -0.02712 0.01806  205 GLU A OE2 
1486 N N   . ILE A 199 ? 0.25825 0.32972 0.22203 -0.00714 -0.01244 -0.00999 206 ILE A N   
1487 C CA  . ILE A 199 ? 0.25597 0.32677 0.23100 -0.01474 -0.02248 -0.01413 206 ILE A CA  
1488 C C   . ILE A 199 ? 0.30509 0.35954 0.28015 -0.01533 -0.01775 -0.02467 206 ILE A C   
1489 O O   . ILE A 199 ? 0.31874 0.36058 0.28630 -0.02369 -0.02630 -0.03128 206 ILE A O   
1490 C CB  . ILE A 199 ? 0.28056 0.36847 0.28589 -0.01326 -0.02370 -0.00294 206 ILE A CB  
1491 C CG1 . ILE A 199 ? 0.31582 0.41738 0.32025 -0.01038 -0.03064 0.00940  206 ILE A CG1 
1492 C CG2 . ILE A 199 ? 0.30747 0.40406 0.32964 -0.02070 -0.02989 -0.00349 206 ILE A CG2 
1493 C CD1 . ILE A 199 ? 0.30352 0.41555 0.33378 -0.00160 -0.02878 0.02024  206 ILE A CD1 
1494 N N   . VAL A 200 ? 0.26130 0.31483 0.24538 -0.00770 -0.00596 -0.02496 207 VAL A N   
1495 C CA  . VAL A 200 ? 0.25186 0.29168 0.23544 -0.00526 -0.00191 -0.03241 207 VAL A CA  
1496 C C   . VAL A 200 ? 0.30568 0.32375 0.25964 -0.00138 -0.00231 -0.04352 207 VAL A C   
1497 O O   . VAL A 200 ? 0.34673 0.34194 0.29188 -0.00438 -0.00707 -0.05022 207 VAL A O   
1498 C CB  . VAL A 200 ? 0.25817 0.30651 0.25691 0.00228  0.00782  -0.03002 207 VAL A CB  
1499 C CG1 . VAL A 200 ? 0.29124 0.32791 0.28538 0.00874  0.01176  -0.03624 207 VAL A CG1 
1500 C CG2 . VAL A 200 ? 0.25958 0.31807 0.27960 0.00041  0.00653  -0.02396 207 VAL A CG2 
1501 N N   . LYS A 201 ? 0.30486 0.32706 0.24016 0.00619  0.00294  -0.04504 208 LYS A N   
1502 C CA  . LYS A 201 ? 0.35605 0.35614 0.25636 0.01549  0.00451  -0.05798 208 LYS A CA  
1503 C C   . LYS A 201 ? 0.38713 0.36216 0.26241 0.00457  -0.01231 -0.06766 208 LYS A C   
1504 O O   . LYS A 201 ? 0.47187 0.41190 0.32085 0.00782  -0.01647 -0.08166 208 LYS A O   
1505 C CB  . LYS A 201 ? 0.39730 0.41541 0.28264 0.02740  0.01648  -0.05469 208 LYS A CB  
1506 C CG  . LYS A 201 ? 0.50320 0.50121 0.34569 0.04296  0.02105  -0.06919 208 LYS A CG  
1507 C CD  . LYS A 201 ? 0.64399 0.67125 0.47662 0.05639  0.03768  -0.06108 208 LYS A CD  
1508 C CE  . LYS A 201 ? 0.67239 0.68358 0.46154 0.07944  0.04735  -0.07624 208 LYS A CE  
1509 N NZ  . LYS A 201 ? 0.87222 0.90609 0.63315 0.08857  0.05776  -0.07023 208 LYS A NZ  
1510 N N   . LYS A 202 ? 0.37300 0.36401 0.25693 -0.00865 -0.02390 -0.06007 209 LYS A N   
1511 C CA  . LYS A 202 ? 0.39612 0.37093 0.25931 -0.02239 -0.04369 -0.06784 209 LYS A CA  
1512 C C   . LYS A 202 ? 0.36510 0.32388 0.24560 -0.03859 -0.05444 -0.06879 209 LYS A C   
1513 O O   . LYS A 202 ? 0.42840 0.35325 0.28445 -0.04885 -0.06881 -0.08112 209 LYS A O   
1514 C CB  . LYS A 202 ? 0.39784 0.40331 0.26952 -0.02954 -0.05331 -0.05582 209 LYS A CB  
1515 C CG  . LYS A 202 ? 0.50335 0.50745 0.37092 -0.04891 -0.07787 -0.05822 209 LYS A CG  
1516 C CD  . LYS A 202 ? 0.53505 0.57281 0.40677 -0.05007 -0.08701 -0.04511 209 LYS A CD  
1517 C CE  . LYS A 202 ? 0.74196 0.77627 0.59072 -0.06600 -0.11396 -0.05220 209 LYS A CE  
1518 N NZ  . LYS A 202 ? 0.76321 0.83646 0.62126 -0.06587 -0.12478 -0.03575 209 LYS A NZ  
1519 N N   . HIS A 203 ? 0.38284 0.36356 0.30293 -0.04157 -0.04794 -0.05550 210 HIS A N   
1520 C CA  . HIS A 203 ? 0.42492 0.40497 0.36781 -0.05876 -0.05651 -0.04913 210 HIS A CA  
1521 C C   . HIS A 203 ? 0.40810 0.37338 0.36113 -0.05394 -0.04549 -0.04701 210 HIS A C   
1522 O O   . HIS A 203 ? 0.41031 0.36541 0.37387 -0.06906 -0.05223 -0.04168 210 HIS A O   
1523 C CB  . HIS A 203 ? 0.34897 0.37453 0.32920 -0.06516 -0.05862 -0.03225 210 HIS A CB  
1524 C CG  . HIS A 203 ? 0.40407 0.44901 0.38025 -0.07222 -0.07359 -0.02976 210 HIS A CG  
1525 N ND1 . HIS A 203 ? 0.46495 0.49913 0.42761 -0.09153 -0.09508 -0.03538 210 HIS A ND1 
1526 C CD2 . HIS A 203 ? 0.44271 0.51544 0.42510 -0.06278 -0.07219 -0.02138 210 HIS A CD2 
1527 C CE1 . HIS A 203 ? 0.50326 0.56344 0.46437 -0.09285 -0.10665 -0.03047 210 HIS A CE1 
1528 N NE2 . HIS A 203 ? 0.47414 0.55721 0.44700 -0.07435 -0.09211 -0.02085 210 HIS A NE2 
1529 N N   . SER A 204 ? 0.34104 0.30784 0.29270 -0.03488 -0.02990 -0.04863 211 SER A N   
1530 C CA  . SER A 204 ? 0.36222 0.32348 0.32516 -0.02830 -0.02056 -0.04418 211 SER A CA  
1531 C C   . SER A 204 ? 0.37687 0.31580 0.31907 -0.00957 -0.01196 -0.05371 211 SER A C   
1532 O O   . SER A 204 ? 0.39473 0.34135 0.34802 0.00127  -0.00295 -0.04921 211 SER A O   
1533 C CB  . SER A 204 ? 0.33589 0.33342 0.32704 -0.02343 -0.01175 -0.03336 211 SER A CB  
1534 O OG  . SER A 204 ? 0.34789 0.37001 0.35895 -0.03499 -0.01739 -0.02387 211 SER A OG  
1535 N N   . GLN A 205 ? 0.42001 0.33342 0.33087 -0.00372 -0.01496 -0.06684 212 GLN A N   
1536 C CA  . GLN A 205 ? 0.51110 0.41353 0.40406 0.01960  -0.00359 -0.07482 212 GLN A CA  
1537 C C   . GLN A 205 ? 0.52544 0.39444 0.41185 0.02882  -0.00222 -0.07615 212 GLN A C   
1538 O O   . GLN A 205 ? 0.58231 0.45329 0.46458 0.05139  0.00869  -0.07818 212 GLN A O   
1539 C CB  . GLN A 205 ? 0.56110 0.44552 0.41611 0.02753  -0.00524 -0.08933 212 GLN A CB  
1540 C CG  . GLN A 205 ? 0.66637 0.49839 0.48870 0.01765  -0.02130 -0.10297 212 GLN A CG  
1541 C CD  . GLN A 205 ? 1.03142 0.87041 0.85144 -0.00616 -0.03850 -0.10308 212 GLN A CD  
1542 O OE1 . GLN A 205 ? 0.67739 0.54122 0.53088 -0.02563 -0.04520 -0.08936 212 GLN A OE1 
1543 N NE2 . GLN A 205 ? 0.73801 0.55769 0.51693 -0.00264 -0.04588 -0.11837 212 GLN A NE2 
1544 N N   . PHE A 206 ? 0.44495 0.28650 0.33278 0.01220  -0.01282 -0.07216 213 PHE A N   
1545 C CA  . PHE A 206 ? 0.49875 0.30100 0.37704 0.02008  -0.01271 -0.07052 213 PHE A CA  
1546 C C   . PHE A 206 ? 0.51458 0.33561 0.42130 0.01259  -0.01016 -0.05174 213 PHE A C   
1547 O O   . PHE A 206 ? 0.59933 0.38669 0.49883 0.01484  -0.01179 -0.04555 213 PHE A O   
1548 C CB  . PHE A 206 ? 0.55844 0.29955 0.40677 0.00704  -0.02788 -0.08059 213 PHE A CB  
1549 C CG  . PHE A 206 ? 0.65064 0.36590 0.45994 0.01768  -0.03131 -0.10238 213 PHE A CG  
1550 C CD1 . PHE A 206 ? 0.69702 0.40887 0.48569 0.05100  -0.01740 -0.11269 213 PHE A CD1 
1551 C CD2 . PHE A 206 ? 0.69239 0.39275 0.48553 -0.00439 -0.04824 -0.11161 213 PHE A CD2 
1552 C CE1 . PHE A 206 ? 0.84256 0.53344 0.59039 0.06432  -0.01776 -0.13254 213 PHE A CE1 
1553 C CE2 . PHE A 206 ? 0.77866 0.45445 0.52832 0.00697  -0.05204 -0.13290 213 PHE A CE2 
1554 C CZ  . PHE A 206 ? 0.77264 0.44323 0.49783 0.04249  -0.03531 -0.14352 213 PHE A CZ  
1555 N N   . ILE A 207 ? 0.37874 0.24937 0.31349 0.00593  -0.00592 -0.04242 214 ILE A N   
1556 C CA  . ILE A 207 ? 0.32691 0.21762 0.28174 0.00347  -0.00176 -0.02670 214 ILE A CA  
1557 C C   . ILE A 207 ? 0.41319 0.29951 0.36298 0.02594  0.00498  -0.02460 214 ILE A C   
1558 O O   . ILE A 207 ? 0.40061 0.30049 0.34885 0.04350  0.01021  -0.03238 214 ILE A O   
1559 C CB  . ILE A 207 ? 0.32757 0.26691 0.30599 -0.00125 0.00204  -0.02215 214 ILE A CB  
1560 C CG1 . ILE A 207 ? 0.31476 0.26345 0.30265 -0.02171 -0.00533 -0.01943 214 ILE A CG1 
1561 C CG2 . ILE A 207 ? 0.34661 0.30747 0.33744 0.00300  0.00799  -0.01005 214 ILE A CG2 
1562 C CD1 . ILE A 207 ? 0.35633 0.30010 0.35409 -0.03952 -0.00919 -0.00485 214 ILE A CD1 
1563 N N   . GLY A 208 ? 0.38102 0.25264 0.32996 0.02532  0.00476  -0.01132 215 GLY A N   
1564 C CA  . GLY A 208 ? 0.37815 0.23988 0.31910 0.04771  0.00824  -0.00723 215 GLY A CA  
1565 C C   . GLY A 208 ? 0.37804 0.28450 0.33373 0.05825  0.01266  -0.00070 215 GLY A C   
1566 O O   . GLY A 208 ? 0.40430 0.30757 0.35523 0.07207  0.01298  0.00909  215 GLY A O   
1567 N N   . TYR A 209 ? 0.33024 0.27510 0.30128 0.05204  0.01421  -0.00610 216 TYR A N   
1568 C CA  . TYR A 209 ? 0.29741 0.27948 0.27913 0.05930  0.01500  -0.00425 216 TYR A CA  
1569 C C   . TYR A 209 ? 0.33002 0.33720 0.32440 0.05941  0.01554  -0.01562 216 TYR A C   
1570 O O   . TYR A 209 ? 0.31937 0.32137 0.31447 0.05029  0.01648  -0.02177 216 TYR A O   
1571 C CB  . TYR A 209 ? 0.28880 0.28673 0.27358 0.04881  0.01606  0.00340  216 TYR A CB  
1572 C CG  . TYR A 209 ? 0.33405 0.31347 0.30841 0.04640  0.01755  0.01957  216 TYR A CG  
1573 C CD1 . TYR A 209 ? 0.30861 0.29066 0.27261 0.05967  0.01708  0.02978  216 TYR A CD1 
1574 C CD2 . TYR A 209 ? 0.33241 0.29302 0.30805 0.02915  0.01814  0.02700  216 TYR A CD2 
1575 C CE1 . TYR A 209 ? 0.35610 0.31997 0.30918 0.05699  0.01937  0.04867  216 TYR A CE1 
1576 C CE2 . TYR A 209 ? 0.30466 0.24812 0.27357 0.02312  0.01967  0.04582  216 TYR A CE2 
1577 C CZ  . TYR A 209 ? 0.32465 0.26852 0.28119 0.03771  0.02141  0.05748  216 TYR A CZ  
1578 O OH  . TYR A 209 ? 0.39527 0.32111 0.34344 0.03185  0.02382  0.08005  216 TYR A OH  
1579 N N   . PRO A 210 ? 0.32053 0.35555 0.32501 0.06803  0.01363  -0.01653 217 PRO A N   
1580 C CA  . PRO A 210 ? 0.26995 0.32906 0.28966 0.06430  0.01399  -0.02338 217 PRO A CA  
1581 C C   . PRO A 210 ? 0.30944 0.37280 0.33362 0.04914  0.01269  -0.02677 217 PRO A C   
1582 O O   . PRO A 210 ? 0.29269 0.35924 0.31427 0.04614  0.00980  -0.02584 217 PRO A O   
1583 C CB  . PRO A 210 ? 0.28064 0.36992 0.31316 0.07252  0.00861  -0.02096 217 PRO A CB  
1584 C CG  . PRO A 210 ? 0.33652 0.41948 0.35679 0.07835  0.00398  -0.01485 217 PRO A CG  
1585 C CD  . PRO A 210 ? 0.31719 0.36428 0.32026 0.07975  0.00935  -0.00964 217 PRO A CD  
1586 N N   . ILE A 211 ? 0.29714 0.36006 0.32505 0.04253  0.01546  -0.03026 218 ILE A N   
1587 C CA  . ILE A 211 ? 0.23263 0.29897 0.26595 0.03141  0.01405  -0.03189 218 ILE A CA  
1588 C C   . ILE A 211 ? 0.25466 0.33900 0.30199 0.02796  0.01280  -0.03252 218 ILE A C   
1589 O O   . ILE A 211 ? 0.29958 0.39224 0.35038 0.02971  0.01754  -0.03080 218 ILE A O   
1590 C CB  . ILE A 211 ? 0.25927 0.31225 0.28584 0.02489  0.01579  -0.03193 218 ILE A CB  
1591 C CG1 . ILE A 211 ? 0.25429 0.29085 0.27204 0.02252  0.01503  -0.02866 218 ILE A CG1 
1592 C CG2 . ILE A 211 ? 0.26952 0.32913 0.30362 0.01752  0.01412  -0.03125 218 ILE A CG2 
1593 C CD1 . ILE A 211 ? 0.26393 0.28617 0.27428 0.01364  0.01248  -0.02979 218 ILE A CD1 
1594 N N   . THR A 212 ? 0.23779 0.32709 0.29148 0.02296  0.00652  -0.03456 219 THR A N   
1595 C CA  . THR A 212 ? 0.18648 0.28910 0.25584 0.01452  0.00219  -0.03351 219 THR A CA  
1596 C C   . THR A 212 ? 0.22848 0.31597 0.29717 0.00613  0.00066  -0.03401 219 THR A C   
1597 O O   . THR A 212 ? 0.23102 0.30344 0.29048 0.00821  -0.00288 -0.03944 219 THR A O   
1598 C CB  . THR A 212 ? 0.21548 0.32886 0.29036 0.01323  -0.00852 -0.03691 219 THR A CB  
1599 O OG1 . THR A 212 ? 0.24316 0.37331 0.31984 0.02415  -0.00762 -0.03372 219 THR A OG1 
1600 C CG2 . THR A 212 ? 0.26318 0.38917 0.35829 -0.00161 -0.01577 -0.03429 219 THR A CG2 
1601 N N   . LEU A 213 ? 0.23307 0.32521 0.30961 -0.00050 0.00443  -0.02708 220 LEU A N   
1602 C CA  . LEU A 213 ? 0.23754 0.31389 0.31411 -0.00745 0.00230  -0.02399 220 LEU A CA  
1603 C C   . LEU A 213 ? 0.22332 0.29747 0.31350 -0.02028 -0.00643 -0.02235 220 LEU A C   
1604 O O   . LEU A 213 ? 0.23386 0.32913 0.34085 -0.02965 -0.00500 -0.01317 220 LEU A O   
1605 C CB  . LEU A 213 ? 0.23737 0.31840 0.31099 -0.00828 0.00988  -0.01493 220 LEU A CB  
1606 C CG  . LEU A 213 ? 0.26621 0.33312 0.34006 -0.01425 0.00783  -0.00682 220 LEU A CG  
1607 C CD1 . LEU A 213 ? 0.28159 0.32686 0.34872 -0.00789 0.00257  -0.01261 220 LEU A CD1 
1608 C CD2 . LEU A 213 ? 0.27773 0.35311 0.34193 -0.01257 0.01464  0.00193  220 LEU A CD2 
1609 N N   . PHE A 214 ? 0.20709 0.25597 0.28956 -0.02075 -0.01566 -0.03114 221 PHE A N   
1610 C CA  . PHE A 214 ? 0.23433 0.26917 0.32516 -0.03563 -0.02817 -0.03239 221 PHE A CA  
1611 C C   . PHE A 214 ? 0.27861 0.30017 0.37776 -0.04682 -0.02672 -0.01883 221 PHE A C   
1612 O O   . PHE A 214 ? 0.28300 0.29513 0.37341 -0.03830 -0.01928 -0.01338 221 PHE A O   
1613 C CB  . PHE A 214 ? 0.26094 0.26241 0.33155 -0.02905 -0.03851 -0.04887 221 PHE A CB  
1614 C CG  . PHE A 214 ? 0.24788 0.26108 0.30773 -0.02153 -0.04358 -0.06076 221 PHE A CG  
1615 C CD1 . PHE A 214 ? 0.24719 0.29060 0.30943 -0.01264 -0.03479 -0.05664 221 PHE A CD1 
1616 C CD2 . PHE A 214 ? 0.27183 0.26059 0.31416 -0.02201 -0.05814 -0.07635 221 PHE A CD2 
1617 C CE1 . PHE A 214 ? 0.23712 0.28979 0.28743 -0.00461 -0.03964 -0.06415 221 PHE A CE1 
1618 C CE2 . PHE A 214 ? 0.27317 0.27399 0.30044 -0.01375 -0.06355 -0.08611 221 PHE A CE2 
1619 C CZ  . PHE A 214 ? 0.28802 0.32262 0.32072 -0.00504 -0.05373 -0.07807 221 PHE A CZ  
1620 N N   . VAL A 215 ? 0.29014 0.31256 0.40729 -0.06731 -0.03507 -0.01114 222 VAL A N   
1621 C CA  . VAL A 215 ? 0.31537 0.31901 0.43966 -0.08078 -0.03530 0.00468  222 VAL A CA  
1622 C C   . VAL A 215 ? 0.38898 0.34075 0.50544 -0.09061 -0.05274 -0.00426 222 VAL A C   
1623 O O   . VAL A 215 ? 0.35452 0.29109 0.46053 -0.08897 -0.06507 -0.02329 222 VAL A O   
1624 C CB  . VAL A 215 ? 0.44846 0.49203 0.60081 -0.09912 -0.02942 0.02594  222 VAL A CB  
1625 C CG1 . VAL A 215 ? 0.43228 0.51235 0.58089 -0.08421 -0.01020 0.03445  222 VAL A CG1 
1626 C CG2 . VAL A 215 ? 0.34035 0.41273 0.51496 -0.11250 -0.03939 0.02241  222 VAL A CG2 
1627 N N   . GLU A 216 ? 0.37822 0.29847 0.49550 -0.09964 -0.05437 0.00951  223 GLU A N   
1628 C CA  . GLU A 216 ? 0.43884 0.29672 0.54401 -0.10701 -0.07116 0.00125  223 GLU A CA  
1629 C C   . GLU A 216 ? 0.47711 0.32510 0.60614 -0.14142 -0.08154 0.01998  223 GLU A C   
1630 O O   . GLU A 216 ? 0.54733 0.43483 0.69972 -0.15440 -0.07040 0.04528  223 GLU A O   
1631 C CB  . GLU A 216 ? 0.50243 0.31863 0.58517 -0.08492 -0.06641 0.00195  223 GLU A CB  
1632 C CG  . GLU A 216 ? 0.40959 0.23988 0.47406 -0.05337 -0.05639 -0.01304 223 GLU A CG  
1633 C CD  . GLU A 216 ? 0.57788 0.38353 0.62910 -0.03131 -0.05058 -0.00674 223 GLU A CD  
1634 O OE1 . GLU A 216 ? 0.53975 0.29086 0.57408 -0.02140 -0.05915 -0.01542 223 GLU A OE1 
1635 O OE2 . GLU A 216 ? 0.61546 0.45550 0.67175 -0.02262 -0.03869 0.00621  223 GLU A OE2 
1636 N N   . LYS A 217 ? 0.56181 0.35594 0.68301 -0.15636 -0.10315 0.00748  224 LYS A N   
1637 C CA  . LYS A 217 ? 0.64827 0.42363 0.78792 -0.18966 -0.11439 0.02417  224 LYS A CA  
1638 C C   . LYS A 217 ? 0.85438 0.61837 0.99983 -0.19332 -0.10226 0.05458  224 LYS A C   
1639 O O   . LYS A 217 ? 0.74225 0.46433 0.86597 -0.17255 -0.09867 0.05535  224 LYS A O   
1640 C CB  . LYS A 217 ? 0.73579 0.44612 0.84757 -0.19081 -0.13322 0.00039  224 LYS A CB  
1641 C CG  . LYS A 217 ? 0.95849 0.65686 1.08636 -0.22243 -0.14305 0.01315  224 LYS A CG  
1642 C CD  . LYS A 217 ? 1.06101 0.71183 1.16544 -0.22763 -0.16447 -0.01486 224 LYS A CD  
1643 C CE  . LYS A 217 ? 1.29801 0.86432 1.36260 -0.20790 -0.16837 -0.02883 224 LYS A CE  
1644 N NZ  . LYS A 217 ? 1.26642 0.81606 1.29629 -0.16857 -0.16250 -0.05292 224 LYS A NZ  
# 
