data_7H68
# 
_entry.id   7H68 
# 
_audit_conform.dict_name       mmcif_pdbx.dic 
_audit_conform.dict_version    5.402 
_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   7H68         pdb_00007h68 10.2210/pdb7h68/pdb 
WWPDB D_1001407075 ?            ?                   
# 
_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       2025-03-05 
_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                        7H68 
_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   2024-04-19 
_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           N 
_pdbx_database_status.methods_development_category    ? 
# 
_pdbx_contact_author.id                 1 
_pdbx_contact_author.name_last          Rudolph 
_pdbx_contact_author.name_first         Markus 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.email              markus.rudolph@roche.com 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0003-0447-1101 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
'Banner, D.W.'  1 
'Benz, J.M.'    2 
'Joseph, C.'    3 
'Schlatter, D.' 4 
'Hilpert, H.'   5 
# 
_citation.id                        primary 
_citation.title                     'Crystal structures of human Chymase and Cathepsin G' 
_citation.journal_abbrev            'To be published' 
_citation.year                      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_DOI      ? 
_citation.journal_volume            ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.journal_id_ASTM           ? 
_citation.country                   ? 
_citation.journal_id_ISSN           ? 
_citation.journal_id_CSD            0353 
_citation.book_publisher            ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Markus, R.'    1 0000-0003-0447-1101 
primary 'Tosstorff, A.' 2 0000-0002-4969-3667 
# 
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 Chymase                                                                                          25032.910 1   
3.4.21.39 YES ? ? 
2 non-polymer syn 'ZINC ION'                                                                                       65.409    1   ? 
?   ? ? 
3 non-polymer syn 'CHLORIDE ION'                                                                                   35.453    3   ? 
?   ? ? 
4 non-polymer syn GLYCEROL                                                                                         92.094    2   ? 
?   ? ? 
5 non-polymer syn '(5R)-5-benzyl-3-[(R)-(5-fluoro-3-methyl-1H-indol-2-yl)(phenyl)methyl]-4-hydroxyfuran-2(5H)-one' 427.467   1   ? 
?   ? ? 
6 water       nat water                                                                                            18.015    316 ? 
?   ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        'Alpha-chymase,Mast cell protease I' 
# 
_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       
;IIGGTESKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPK
YNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQKNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDF
DHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWINQILQAN
;
_entity_poly.pdbx_seq_one_letter_code_can   
;IIGGTESKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPK
YNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQKNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDF
DHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWINQILQAN
;
_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 'ZINC ION'                                                                                       ZN    
3 'CHLORIDE ION'                                                                                   CL    
4 GLYCEROL                                                                                         GOL   
5 '(5R)-5-benzyl-3-[(R)-(5-fluoro-3-methyl-1H-indol-2-yl)(phenyl)methyl]-4-hydroxyfuran-2(5H)-one' A1AO4 
6 water                                                                                            HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   ILE n 
1 2   ILE n 
1 3   GLY n 
1 4   GLY n 
1 5   THR n 
1 6   GLU n 
1 7   SER n 
1 8   LYS n 
1 9   PRO n 
1 10  HIS n 
1 11  SER n 
1 12  ARG n 
1 13  PRO n 
1 14  TYR n 
1 15  MET n 
1 16  ALA n 
1 17  TYR n 
1 18  LEU n 
1 19  GLU n 
1 20  ILE n 
1 21  VAL n 
1 22  THR n 
1 23  SER n 
1 24  ASN n 
1 25  GLY n 
1 26  PRO n 
1 27  SER n 
1 28  LYS n 
1 29  PHE n 
1 30  CYS n 
1 31  GLY n 
1 32  GLY n 
1 33  PHE n 
1 34  LEU n 
1 35  ILE n 
1 36  ARG n 
1 37  ARG n 
1 38  ASN n 
1 39  PHE n 
1 40  VAL n 
1 41  LEU n 
1 42  THR n 
1 43  ALA n 
1 44  ALA n 
1 45  HIS n 
1 46  CYS n 
1 47  ALA n 
1 48  GLY n 
1 49  ARG n 
1 50  SER n 
1 51  ILE n 
1 52  THR n 
1 53  VAL n 
1 54  THR n 
1 55  LEU n 
1 56  GLY n 
1 57  ALA n 
1 58  HIS n 
1 59  ASN n 
1 60  ILE n 
1 61  THR n 
1 62  GLU n 
1 63  GLU n 
1 64  GLU n 
1 65  ASP n 
1 66  THR n 
1 67  TRP n 
1 68  GLN n 
1 69  LYS n 
1 70  LEU n 
1 71  GLU n 
1 72  VAL n 
1 73  ILE n 
1 74  LYS n 
1 75  GLN n 
1 76  PHE n 
1 77  ARG n 
1 78  HIS n 
1 79  PRO n 
1 80  LYS n 
1 81  TYR n 
1 82  ASN n 
1 83  THR n 
1 84  SER n 
1 85  THR n 
1 86  LEU n 
1 87  HIS n 
1 88  HIS n 
1 89  ASP n 
1 90  ILE n 
1 91  MET n 
1 92  LEU n 
1 93  LEU n 
1 94  LYS n 
1 95  LEU n 
1 96  LYS n 
1 97  GLU n 
1 98  LYS n 
1 99  ALA n 
1 100 SER n 
1 101 LEU n 
1 102 THR n 
1 103 LEU n 
1 104 ALA n 
1 105 VAL n 
1 106 GLY n 
1 107 THR n 
1 108 LEU n 
1 109 PRO n 
1 110 PHE n 
1 111 PRO n 
1 112 SER n 
1 113 GLN n 
1 114 LYS n 
1 115 ASN n 
1 116 PHE n 
1 117 VAL n 
1 118 PRO n 
1 119 PRO n 
1 120 GLY n 
1 121 ARG n 
1 122 MET n 
1 123 CYS n 
1 124 ARG n 
1 125 VAL n 
1 126 ALA n 
1 127 GLY n 
1 128 TRP n 
1 129 GLY n 
1 130 ARG n 
1 131 THR n 
1 132 GLY n 
1 133 VAL n 
1 134 LEU n 
1 135 LYS n 
1 136 PRO n 
1 137 GLY n 
1 138 SER n 
1 139 ASP n 
1 140 THR n 
1 141 LEU n 
1 142 GLN n 
1 143 GLU n 
1 144 VAL n 
1 145 LYS n 
1 146 LEU n 
1 147 ARG n 
1 148 LEU n 
1 149 MET n 
1 150 ASP n 
1 151 PRO n 
1 152 GLN n 
1 153 ALA n 
1 154 CYS n 
1 155 SER n 
1 156 HIS n 
1 157 PHE n 
1 158 ARG n 
1 159 ASP n 
1 160 PHE n 
1 161 ASP n 
1 162 HIS n 
1 163 ASN n 
1 164 LEU n 
1 165 GLN n 
1 166 LEU n 
1 167 CYS n 
1 168 VAL n 
1 169 GLY n 
1 170 ASN n 
1 171 PRO n 
1 172 ARG n 
1 173 LYS n 
1 174 THR n 
1 175 LYS n 
1 176 SER n 
1 177 ALA n 
1 178 PHE n 
1 179 LYS n 
1 180 GLY n 
1 181 ASP n 
1 182 SER n 
1 183 GLY n 
1 184 GLY n 
1 185 PRO n 
1 186 LEU n 
1 187 LEU n 
1 188 CYS n 
1 189 ALA n 
1 190 GLY n 
1 191 VAL n 
1 192 ALA n 
1 193 GLN n 
1 194 GLY n 
1 195 ILE n 
1 196 VAL n 
1 197 SER n 
1 198 TYR n 
1 199 GLY n 
1 200 ARG n 
1 201 SER n 
1 202 ASP n 
1 203 ALA n 
1 204 LYS n 
1 205 PRO n 
1 206 PRO n 
1 207 ALA n 
1 208 VAL n 
1 209 PHE n 
1 210 THR n 
1 211 ARG n 
1 212 ILE n 
1 213 SER n 
1 214 HIS n 
1 215 TYR n 
1 216 ARG n 
1 217 PRO n 
1 218 TRP n 
1 219 ILE n 
1 220 ASN n 
1 221 GLN n 
1 222 ILE n 
1 223 LEU n 
1 224 GLN n 
1 225 ALA n 
1 226 ASN 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                   226 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'CMA1, CYH, CYM' 
_entity_src_gen.gene_src_species                   ? 
_entity_src_gen.gene_src_strain                    ? 
_entity_src_gen.gene_src_tissue                    ? 
_entity_src_gen.gene_src_tissue_fraction           ? 
_entity_src_gen.gene_src_details                   ? 
_entity_src_gen.pdbx_gene_src_fragment             ? 
_entity_src_gen.pdbx_gene_src_scientific_name      'Homo sapiens' 
_entity_src_gen.pdbx_gene_src_ncbi_taxonomy_id     9606 
_entity_src_gen.pdbx_gene_src_variant              ? 
_entity_src_gen.pdbx_gene_src_cell_line            ? 
_entity_src_gen.pdbx_gene_src_atcc                 ? 
_entity_src_gen.pdbx_gene_src_organ                ? 
_entity_src_gen.pdbx_gene_src_organelle            ? 
_entity_src_gen.pdbx_gene_src_cell                 ? 
_entity_src_gen.pdbx_gene_src_cellular_location    ? 
_entity_src_gen.host_org_common_name               ? 
_entity_src_gen.pdbx_host_org_scientific_name      'Escherichia coli' 
_entity_src_gen.pdbx_host_org_ncbi_taxonomy_id     562 
_entity_src_gen.host_org_genus                     ? 
_entity_src_gen.pdbx_host_org_gene                 ? 
_entity_src_gen.pdbx_host_org_organ                ? 
_entity_src_gen.host_org_species                   ? 
_entity_src_gen.pdbx_host_org_tissue               ? 
_entity_src_gen.pdbx_host_org_tissue_fraction      ? 
_entity_src_gen.pdbx_host_org_strain               ? 
_entity_src_gen.pdbx_host_org_variant              ? 
_entity_src_gen.pdbx_host_org_cell_line            ? 
_entity_src_gen.pdbx_host_org_atcc                 ? 
_entity_src_gen.pdbx_host_org_culture_collection   ? 
_entity_src_gen.pdbx_host_org_cell                 ? 
_entity_src_gen.pdbx_host_org_organelle            ? 
_entity_src_gen.pdbx_host_org_cellular_location    ? 
_entity_src_gen.pdbx_host_org_vector_type          ? 
_entity_src_gen.pdbx_host_org_vector               ? 
_entity_src_gen.host_org_details                   ? 
_entity_src_gen.expression_system_id               ? 
_entity_src_gen.plasmid_name                       ? 
_entity_src_gen.plasmid_details                    ? 
_entity_src_gen.pdbx_description                   ? 
# 
loop_
_chem_comp.id 
_chem_comp.type 
_chem_comp.mon_nstd_flag 
_chem_comp.name 
_chem_comp.pdbx_synonyms 
_chem_comp.formula 
_chem_comp.formula_weight 
A1AO4 non-polymer         . '(5R)-5-benzyl-3-[(R)-(5-fluoro-3-methyl-1H-indol-2-yl)(phenyl)methyl]-4-hydroxyfuran-2(5H)-one' ? 
'C27 H22 F N O3' 427.467 
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 
CL    non-polymer         . 'CHLORIDE ION'                                                                                   ? 
'Cl -1'          35.453  
CYS   'L-peptide linking' y CYSTEINE                                                                                         ? 
'C3 H7 N O2 S'   121.158 
GLN   'L-peptide linking' y GLUTAMINE                                                                                        ? 
'C5 H10 N2 O3'   146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID'                                                                                  ? 
'C5 H9 N O4'     147.129 
GLY   'peptide linking'   y GLYCINE                                                                                          ? 
'C2 H5 N O2'     75.067  
GOL   non-polymer         . GLYCEROL                                                                                         
'GLYCERIN; PROPANE-1,2,3-TRIOL' 'C3 H8 O3'       92.094  
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 
ZN    non-polymer         . 'ZINC ION'                                                                                       ? 
'Zn 2'           65.409  
# 
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   ILE 1   1   1   ILE ILE A . n 
A 1 2   ILE 2   2   2   ILE ILE A . n 
A 1 3   GLY 3   3   3   GLY GLY A . n 
A 1 4   GLY 4   4   4   GLY GLY A . n 
A 1 5   THR 5   5   5   THR THR A . n 
A 1 6   GLU 6   6   6   GLU GLU A . n 
A 1 7   SER 7   7   7   SER SER A . n 
A 1 8   LYS 8   8   8   LYS LYS A . n 
A 1 9   PRO 9   9   9   PRO PRO A . n 
A 1 10  HIS 10  10  10  HIS HIS A . n 
A 1 11  SER 11  11  11  SER SER A . n 
A 1 12  ARG 12  12  12  ARG ARG A . n 
A 1 13  PRO 13  13  13  PRO PRO A . n 
A 1 14  TYR 14  14  14  TYR TYR A . n 
A 1 15  MET 15  15  15  MET MET A . n 
A 1 16  ALA 16  16  16  ALA ALA A . n 
A 1 17  TYR 17  17  17  TYR TYR A . n 
A 1 18  LEU 18  18  18  LEU LEU A . n 
A 1 19  GLU 19  19  19  GLU GLU A . n 
A 1 20  ILE 20  20  20  ILE ILE A . n 
A 1 21  VAL 21  21  21  VAL VAL A . n 
A 1 22  THR 22  22  22  THR THR A . n 
A 1 23  SER 23  23  23  SER SER A . n 
A 1 24  ASN 24  24  24  ASN ASN A . n 
A 1 25  GLY 25  25  25  GLY GLY A . n 
A 1 26  PRO 26  26  26  PRO PRO A . n 
A 1 27  SER 27  27  27  SER SER A . n 
A 1 28  LYS 28  28  28  LYS LYS A . n 
A 1 29  PHE 29  29  29  PHE PHE A . n 
A 1 30  CYS 30  30  30  CYS CYS A . n 
A 1 31  GLY 31  31  31  GLY GLY A . n 
A 1 32  GLY 32  32  32  GLY GLY A . n 
A 1 33  PHE 33  33  33  PHE PHE A . n 
A 1 34  LEU 34  34  34  LEU LEU A . n 
A 1 35  ILE 35  35  35  ILE ILE A . n 
A 1 36  ARG 36  36  36  ARG ARG A . n 
A 1 37  ARG 37  37  37  ARG ARG A . n 
A 1 38  ASN 38  38  38  ASN ASN A . n 
A 1 39  PHE 39  39  39  PHE PHE A . n 
A 1 40  VAL 40  40  40  VAL VAL A . n 
A 1 41  LEU 41  41  41  LEU LEU A . n 
A 1 42  THR 42  42  42  THR THR A . n 
A 1 43  ALA 43  43  43  ALA ALA A . n 
A 1 44  ALA 44  44  44  ALA ALA A . n 
A 1 45  HIS 45  45  45  HIS HIS A . n 
A 1 46  CYS 46  46  46  CYS CYS A . n 
A 1 47  ALA 47  47  47  ALA ALA A . n 
A 1 48  GLY 48  48  48  GLY GLY A . n 
A 1 49  ARG 49  49  49  ARG ARG A . n 
A 1 50  SER 50  50  50  SER SER A . n 
A 1 51  ILE 51  51  51  ILE ILE A . n 
A 1 52  THR 52  52  52  THR THR A . n 
A 1 53  VAL 53  53  53  VAL VAL A . n 
A 1 54  THR 54  54  54  THR THR A . n 
A 1 55  LEU 55  55  55  LEU LEU A . n 
A 1 56  GLY 56  56  56  GLY GLY A . n 
A 1 57  ALA 57  57  57  ALA ALA A . n 
A 1 58  HIS 58  58  58  HIS HIS A . n 
A 1 59  ASN 59  59  59  ASN ASN A . n 
A 1 60  ILE 60  60  60  ILE ILE A . n 
A 1 61  THR 61  61  61  THR THR A . n 
A 1 62  GLU 62  62  62  GLU GLU A . n 
A 1 63  GLU 63  63  63  GLU GLU A . n 
A 1 64  GLU 64  64  64  GLU GLU A . n 
A 1 65  ASP 65  65  65  ASP ASP A . n 
A 1 66  THR 66  66  66  THR THR A . n 
A 1 67  TRP 67  67  67  TRP TRP A . n 
A 1 68  GLN 68  68  68  GLN GLN A . n 
A 1 69  LYS 69  69  69  LYS LYS A . n 
A 1 70  LEU 70  70  70  LEU LEU A . n 
A 1 71  GLU 71  71  71  GLU GLU A . n 
A 1 72  VAL 72  72  72  VAL VAL A . n 
A 1 73  ILE 73  73  73  ILE ILE A . n 
A 1 74  LYS 74  74  74  LYS LYS A . n 
A 1 75  GLN 75  75  75  GLN GLN A . n 
A 1 76  PHE 76  76  76  PHE PHE A . n 
A 1 77  ARG 77  77  77  ARG ARG A . n 
A 1 78  HIS 78  78  78  HIS HIS A . n 
A 1 79  PRO 79  79  79  PRO PRO A . n 
A 1 80  LYS 80  80  80  LYS LYS A . n 
A 1 81  TYR 81  81  81  TYR TYR A . n 
A 1 82  ASN 82  82  82  ASN ASN A . n 
A 1 83  THR 83  83  83  THR THR A . n 
A 1 84  SER 84  84  84  SER SER A . n 
A 1 85  THR 85  85  85  THR THR A . n 
A 1 86  LEU 86  86  86  LEU LEU A . n 
A 1 87  HIS 87  87  87  HIS HIS A . n 
A 1 88  HIS 88  88  88  HIS HIS A . n 
A 1 89  ASP 89  89  89  ASP ASP A . n 
A 1 90  ILE 90  90  90  ILE ILE A . n 
A 1 91  MET 91  91  91  MET MET A . n 
A 1 92  LEU 92  92  92  LEU LEU A . n 
A 1 93  LEU 93  93  93  LEU LEU A . n 
A 1 94  LYS 94  94  94  LYS LYS A . n 
A 1 95  LEU 95  95  95  LEU LEU A . n 
A 1 96  LYS 96  96  96  LYS LYS A . n 
A 1 97  GLU 97  97  97  GLU GLU A . n 
A 1 98  LYS 98  98  98  LYS LYS A . n 
A 1 99  ALA 99  99  99  ALA ALA A . n 
A 1 100 SER 100 100 100 SER SER A . n 
A 1 101 LEU 101 101 101 LEU LEU A . n 
A 1 102 THR 102 102 102 THR THR A . n 
A 1 103 LEU 103 103 103 LEU LEU A . n 
A 1 104 ALA 104 104 104 ALA ALA A . n 
A 1 105 VAL 105 105 105 VAL VAL A . n 
A 1 106 GLY 106 106 106 GLY GLY A . n 
A 1 107 THR 107 107 107 THR THR A . n 
A 1 108 LEU 108 108 108 LEU LEU A . n 
A 1 109 PRO 109 109 109 PRO PRO A . n 
A 1 110 PHE 110 110 110 PHE PHE A . n 
A 1 111 PRO 111 111 111 PRO PRO A . n 
A 1 112 SER 112 112 112 SER SER A . n 
A 1 113 GLN 113 113 113 GLN ALA A . n 
A 1 114 LYS 114 114 114 LYS LYS A . n 
A 1 115 ASN 115 115 115 ASN ASN A . n 
A 1 116 PHE 116 116 116 PHE PHE A . n 
A 1 117 VAL 117 117 117 VAL VAL A . n 
A 1 118 PRO 118 118 118 PRO PRO A . n 
A 1 119 PRO 119 119 119 PRO PRO A . n 
A 1 120 GLY 120 120 120 GLY GLY A . n 
A 1 121 ARG 121 121 121 ARG ARG A . n 
A 1 122 MET 122 122 122 MET MET A . n 
A 1 123 CYS 123 123 123 CYS CYS A . n 
A 1 124 ARG 124 124 124 ARG ARG A . n 
A 1 125 VAL 125 125 125 VAL VAL A . n 
A 1 126 ALA 126 126 126 ALA ALA A . n 
A 1 127 GLY 127 127 127 GLY GLY A . n 
A 1 128 TRP 128 128 128 TRP TRP A . n 
A 1 129 GLY 129 129 129 GLY GLY A . n 
A 1 130 ARG 130 130 130 ARG ARG A . n 
A 1 131 THR 131 131 131 THR THR A . n 
A 1 132 GLY 132 132 132 GLY GLY A . n 
A 1 133 VAL 133 133 133 VAL VAL A . n 
A 1 134 LEU 134 134 134 LEU LEU A . n 
A 1 135 LYS 135 135 135 LYS LYS A . n 
A 1 136 PRO 136 136 136 PRO PRO A . n 
A 1 137 GLY 137 137 137 GLY GLY A . n 
A 1 138 SER 138 138 138 SER SER A . n 
A 1 139 ASP 139 139 139 ASP ASP A . n 
A 1 140 THR 140 140 140 THR THR A . n 
A 1 141 LEU 141 141 141 LEU LEU A . n 
A 1 142 GLN 142 142 142 GLN GLN A . n 
A 1 143 GLU 143 143 143 GLU GLU A . n 
A 1 144 VAL 144 144 144 VAL VAL A . n 
A 1 145 LYS 145 145 145 LYS LYS A . n 
A 1 146 LEU 146 146 146 LEU LEU A . n 
A 1 147 ARG 147 147 147 ARG ARG A . n 
A 1 148 LEU 148 148 148 LEU LEU A . n 
A 1 149 MET 149 149 149 MET MET A . n 
A 1 150 ASP 150 150 150 ASP ASP A . n 
A 1 151 PRO 151 151 151 PRO PRO A . n 
A 1 152 GLN 152 152 152 GLN GLN A . n 
A 1 153 ALA 153 153 153 ALA ALA A . n 
A 1 154 CYS 154 154 154 CYS CYS A . n 
A 1 155 SER 155 155 155 SER SER A . n 
A 1 156 HIS 156 156 156 HIS HIS A . n 
A 1 157 PHE 157 157 157 PHE PHE A . n 
A 1 158 ARG 158 158 158 ARG ARG A . n 
A 1 159 ASP 159 159 159 ASP ASP A . n 
A 1 160 PHE 160 160 160 PHE PHE A . n 
A 1 161 ASP 161 161 161 ASP ASP A . n 
A 1 162 HIS 162 162 162 HIS HIS A . n 
A 1 163 ASN 163 163 163 ASN ASN A . n 
A 1 164 LEU 164 164 164 LEU LEU A . n 
A 1 165 GLN 165 165 165 GLN GLN A . n 
A 1 166 LEU 166 166 166 LEU LEU A . n 
A 1 167 CYS 167 167 167 CYS CYS A . n 
A 1 168 VAL 168 168 168 VAL VAL A . n 
A 1 169 GLY 169 169 169 GLY GLY A . n 
A 1 170 ASN 170 170 170 ASN ASN A . n 
A 1 171 PRO 171 171 171 PRO PRO A . n 
A 1 172 ARG 172 172 172 ARG ARG A . n 
A 1 173 LYS 173 173 173 LYS LYS A . n 
A 1 174 THR 174 174 174 THR THR A . n 
A 1 175 LYS 175 175 175 LYS LYS A . n 
A 1 176 SER 176 176 176 SER SER A . n 
A 1 177 ALA 177 177 177 ALA ALA A . n 
A 1 178 PHE 178 178 178 PHE PHE A . n 
A 1 179 LYS 179 179 179 LYS LYS A . n 
A 1 180 GLY 180 180 180 GLY GLY A . n 
A 1 181 ASP 181 181 181 ASP ASP A . n 
A 1 182 SER 182 182 182 SER SER A . n 
A 1 183 GLY 183 183 183 GLY GLY A . n 
A 1 184 GLY 184 184 184 GLY GLY A . n 
A 1 185 PRO 185 185 185 PRO PRO A . n 
A 1 186 LEU 186 186 186 LEU LEU A . n 
A 1 187 LEU 187 187 187 LEU LEU A . n 
A 1 188 CYS 188 188 188 CYS CYS A . n 
A 1 189 ALA 189 189 189 ALA ALA A . n 
A 1 190 GLY 190 190 190 GLY GLY A . n 
A 1 191 VAL 191 191 191 VAL VAL A . n 
A 1 192 ALA 192 192 192 ALA ALA A . n 
A 1 193 GLN 193 193 193 GLN GLN A . n 
A 1 194 GLY 194 194 194 GLY GLY A . n 
A 1 195 ILE 195 195 195 ILE ILE A . n 
A 1 196 VAL 196 196 196 VAL VAL A . n 
A 1 197 SER 197 197 197 SER SER A . n 
A 1 198 TYR 198 198 198 TYR TYR A . n 
A 1 199 GLY 199 199 199 GLY GLY A . n 
A 1 200 ARG 200 200 200 ARG ARG A . n 
A 1 201 SER 201 201 201 SER SER A . n 
A 1 202 ASP 202 202 202 ASP ASP A . n 
A 1 203 ALA 203 203 203 ALA ALA A . n 
A 1 204 LYS 204 204 204 LYS LYS A . n 
A 1 205 PRO 205 205 205 PRO PRO A . n 
A 1 206 PRO 206 206 206 PRO PRO A . n 
A 1 207 ALA 207 207 207 ALA ALA A . n 
A 1 208 VAL 208 208 208 VAL VAL A . n 
A 1 209 PHE 209 209 209 PHE PHE A . n 
A 1 210 THR 210 210 210 THR THR A . n 
A 1 211 ARG 211 211 211 ARG ARG A . n 
A 1 212 ILE 212 212 212 ILE ILE A . n 
A 1 213 SER 213 213 213 SER SER A . n 
A 1 214 HIS 214 214 214 HIS HIS A . n 
A 1 215 TYR 215 215 215 TYR TYR A . n 
A 1 216 ARG 216 216 216 ARG ARG A . n 
A 1 217 PRO 217 217 217 PRO PRO A . n 
A 1 218 TRP 218 218 218 TRP TRP A . n 
A 1 219 ILE 219 219 219 ILE ILE A . n 
A 1 220 ASN 220 220 220 ASN ASN A . n 
A 1 221 GLN 221 221 221 GLN GLN A . n 
A 1 222 ILE 222 222 222 ILE ILE A . n 
A 1 223 LEU 223 223 223 LEU LEU A . n 
A 1 224 GLN 224 224 224 GLN GLN A . n 
A 1 225 ALA 225 225 225 ALA ALA A . n 
A 1 226 ASN 226 226 226 ASN ASN A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1AO4 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1AO4 
_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 ZN    1   301 300 ZN    ZN  A . 
C 3 CL    1   302 1   CL    CL  A . 
D 3 CL    1   303 2   CL    CL  A . 
E 3 CL    1   304 3   CL    CL  A . 
F 4 GOL   1   305 1   GOL   GOL A . 
G 4 GOL   1   306 2   GOL   GOL A . 
H 5 A1AO4 1   307 1   A1AO4 LIG A . 
I 6 HOH   1   401 230 HOH   HOH A . 
I 6 HOH   2   402 291 HOH   HOH A . 
I 6 HOH   3   403 264 HOH   HOH A . 
I 6 HOH   4   404 33  HOH   HOH A . 
I 6 HOH   5   405 188 HOH   HOH A . 
I 6 HOH   6   406 43  HOH   HOH A . 
I 6 HOH   7   407 237 HOH   HOH A . 
I 6 HOH   8   408 50  HOH   HOH A . 
I 6 HOH   9   409 61  HOH   HOH A . 
I 6 HOH   10  410 45  HOH   HOH A . 
I 6 HOH   11  411 286 HOH   HOH A . 
I 6 HOH   12  412 105 HOH   HOH A . 
I 6 HOH   13  413 104 HOH   HOH A . 
I 6 HOH   14  414 280 HOH   HOH A . 
I 6 HOH   15  415 289 HOH   HOH A . 
I 6 HOH   16  416 206 HOH   HOH A . 
I 6 HOH   17  417 71  HOH   HOH A . 
I 6 HOH   18  418 15  HOH   HOH A . 
I 6 HOH   19  419 199 HOH   HOH A . 
I 6 HOH   20  420 279 HOH   HOH A . 
I 6 HOH   21  421 285 HOH   HOH A . 
I 6 HOH   22  422 179 HOH   HOH A . 
I 6 HOH   23  423 60  HOH   HOH A . 
I 6 HOH   24  424 152 HOH   HOH A . 
I 6 HOH   25  425 100 HOH   HOH A . 
I 6 HOH   26  426 235 HOH   HOH A . 
I 6 HOH   27  427 67  HOH   HOH A . 
I 6 HOH   28  428 222 HOH   HOH A . 
I 6 HOH   29  429 197 HOH   HOH A . 
I 6 HOH   30  430 11  HOH   HOH A . 
I 6 HOH   31  431 115 HOH   HOH A . 
I 6 HOH   32  432 40  HOH   HOH A . 
I 6 HOH   33  433 21  HOH   HOH A . 
I 6 HOH   34  434 42  HOH   HOH A . 
I 6 HOH   35  435 277 HOH   HOH A . 
I 6 HOH   36  436 194 HOH   HOH A . 
I 6 HOH   37  437 177 HOH   HOH A . 
I 6 HOH   38  438 4   HOH   HOH A . 
I 6 HOH   39  439 189 HOH   HOH A . 
I 6 HOH   40  440 145 HOH   HOH A . 
I 6 HOH   41  441 227 HOH   HOH A . 
I 6 HOH   42  442 103 HOH   HOH A . 
I 6 HOH   43  443 141 HOH   HOH A . 
I 6 HOH   44  444 88  HOH   HOH A . 
I 6 HOH   45  445 8   HOH   HOH A . 
I 6 HOH   46  446 3   HOH   HOH A . 
I 6 HOH   47  447 283 HOH   HOH A . 
I 6 HOH   48  448 298 HOH   HOH A . 
I 6 HOH   49  449 118 HOH   HOH A . 
I 6 HOH   50  450 231 HOH   HOH A . 
I 6 HOH   51  451 243 HOH   HOH A . 
I 6 HOH   52  452 190 HOH   HOH A . 
I 6 HOH   53  453 113 HOH   HOH A . 
I 6 HOH   54  454 32  HOH   HOH A . 
I 6 HOH   55  455 35  HOH   HOH A . 
I 6 HOH   56  456 274 HOH   HOH A . 
I 6 HOH   57  457 269 HOH   HOH A . 
I 6 HOH   58  458 94  HOH   HOH A . 
I 6 HOH   59  459 81  HOH   HOH A . 
I 6 HOH   60  460 114 HOH   HOH A . 
I 6 HOH   61  461 149 HOH   HOH A . 
I 6 HOH   62  462 255 HOH   HOH A . 
I 6 HOH   63  463 198 HOH   HOH A . 
I 6 HOH   64  464 271 HOH   HOH A . 
I 6 HOH   65  465 41  HOH   HOH A . 
I 6 HOH   66  466 23  HOH   HOH A . 
I 6 HOH   67  467 128 HOH   HOH A . 
I 6 HOH   68  468 306 HOH   HOH A . 
I 6 HOH   69  469 59  HOH   HOH A . 
I 6 HOH   70  470 34  HOH   HOH A . 
I 6 HOH   71  471 300 HOH   HOH A . 
I 6 HOH   72  472 17  HOH   HOH A . 
I 6 HOH   73  473 156 HOH   HOH A . 
I 6 HOH   74  474 117 HOH   HOH A . 
I 6 HOH   75  475 126 HOH   HOH A . 
I 6 HOH   76  476 26  HOH   HOH A . 
I 6 HOH   77  477 9   HOH   HOH A . 
I 6 HOH   78  478 154 HOH   HOH A . 
I 6 HOH   79  479 123 HOH   HOH A . 
I 6 HOH   80  480 193 HOH   HOH A . 
I 6 HOH   81  481 46  HOH   HOH A . 
I 6 HOH   82  482 288 HOH   HOH A . 
I 6 HOH   83  483 25  HOH   HOH A . 
I 6 HOH   84  484 304 HOH   HOH A . 
I 6 HOH   85  485 144 HOH   HOH A . 
I 6 HOH   86  486 216 HOH   HOH A . 
I 6 HOH   87  487 205 HOH   HOH A . 
I 6 HOH   88  488 109 HOH   HOH A . 
I 6 HOH   89  489 228 HOH   HOH A . 
I 6 HOH   90  490 48  HOH   HOH A . 
I 6 HOH   91  491 92  HOH   HOH A . 
I 6 HOH   92  492 52  HOH   HOH A . 
I 6 HOH   93  493 20  HOH   HOH A . 
I 6 HOH   94  494 97  HOH   HOH A . 
I 6 HOH   95  495 108 HOH   HOH A . 
I 6 HOH   96  496 248 HOH   HOH A . 
I 6 HOH   97  497 232 HOH   HOH A . 
I 6 HOH   98  498 55  HOH   HOH A . 
I 6 HOH   99  499 72  HOH   HOH A . 
I 6 HOH   100 500 10  HOH   HOH A . 
I 6 HOH   101 501 22  HOH   HOH A . 
I 6 HOH   102 502 124 HOH   HOH A . 
I 6 HOH   103 503 284 HOH   HOH A . 
I 6 HOH   104 504 64  HOH   HOH A . 
I 6 HOH   105 505 28  HOH   HOH A . 
I 6 HOH   106 506 281 HOH   HOH A . 
I 6 HOH   107 507 139 HOH   HOH A . 
I 6 HOH   108 508 162 HOH   HOH A . 
I 6 HOH   109 509 78  HOH   HOH A . 
I 6 HOH   110 510 249 HOH   HOH A . 
I 6 HOH   111 511 292 HOH   HOH A . 
I 6 HOH   112 512 161 HOH   HOH A . 
I 6 HOH   113 513 214 HOH   HOH A . 
I 6 HOH   114 514 171 HOH   HOH A . 
I 6 HOH   115 515 150 HOH   HOH A . 
I 6 HOH   116 516 244 HOH   HOH A . 
I 6 HOH   117 517 79  HOH   HOH A . 
I 6 HOH   118 518 36  HOH   HOH A . 
I 6 HOH   119 519 256 HOH   HOH A . 
I 6 HOH   120 520 212 HOH   HOH A . 
I 6 HOH   121 521 268 HOH   HOH A . 
I 6 HOH   122 522 31  HOH   HOH A . 
I 6 HOH   123 523 200 HOH   HOH A . 
I 6 HOH   124 524 70  HOH   HOH A . 
I 6 HOH   125 525 24  HOH   HOH A . 
I 6 HOH   126 526 303 HOH   HOH A . 
I 6 HOH   127 527 39  HOH   HOH A . 
I 6 HOH   128 528 58  HOH   HOH A . 
I 6 HOH   129 529 220 HOH   HOH A . 
I 6 HOH   130 530 75  HOH   HOH A . 
I 6 HOH   131 531 86  HOH   HOH A . 
I 6 HOH   132 532 51  HOH   HOH A . 
I 6 HOH   133 533 313 HOH   HOH A . 
I 6 HOH   134 534 262 HOH   HOH A . 
I 6 HOH   135 535 310 HOH   HOH A . 
I 6 HOH   136 536 5   HOH   HOH A . 
I 6 HOH   137 537 53  HOH   HOH A . 
I 6 HOH   138 538 267 HOH   HOH A . 
I 6 HOH   139 539 218 HOH   HOH A . 
I 6 HOH   140 540 136 HOH   HOH A . 
I 6 HOH   141 541 16  HOH   HOH A . 
I 6 HOH   142 542 2   HOH   HOH A . 
I 6 HOH   143 543 18  HOH   HOH A . 
I 6 HOH   144 544 12  HOH   HOH A . 
I 6 HOH   145 545 180 HOH   HOH A . 
I 6 HOH   146 546 44  HOH   HOH A . 
I 6 HOH   147 547 1   HOH   HOH A . 
I 6 HOH   148 548 287 HOH   HOH A . 
I 6 HOH   149 549 223 HOH   HOH A . 
I 6 HOH   150 550 233 HOH   HOH A . 
I 6 HOH   151 551 135 HOH   HOH A . 
I 6 HOH   152 552 90  HOH   HOH A . 
I 6 HOH   153 553 19  HOH   HOH A . 
I 6 HOH   154 554 307 HOH   HOH A . 
I 6 HOH   155 555 185 HOH   HOH A . 
I 6 HOH   156 556 83  HOH   HOH A . 
I 6 HOH   157 557 202 HOH   HOH A . 
I 6 HOH   158 558 7   HOH   HOH A . 
I 6 HOH   159 559 247 HOH   HOH A . 
I 6 HOH   160 560 38  HOH   HOH A . 
I 6 HOH   161 561 175 HOH   HOH A . 
I 6 HOH   162 562 13  HOH   HOH A . 
I 6 HOH   163 563 168 HOH   HOH A . 
I 6 HOH   164 564 129 HOH   HOH A . 
I 6 HOH   165 565 146 HOH   HOH A . 
I 6 HOH   166 566 56  HOH   HOH A . 
I 6 HOH   167 567 6   HOH   HOH A . 
I 6 HOH   168 568 47  HOH   HOH A . 
I 6 HOH   169 569 127 HOH   HOH A . 
I 6 HOH   170 570 80  HOH   HOH A . 
I 6 HOH   171 571 66  HOH   HOH A . 
I 6 HOH   172 572 148 HOH   HOH A . 
I 6 HOH   173 573 107 HOH   HOH A . 
I 6 HOH   174 574 69  HOH   HOH A . 
I 6 HOH   175 575 225 HOH   HOH A . 
I 6 HOH   176 576 172 HOH   HOH A . 
I 6 HOH   177 577 137 HOH   HOH A . 
I 6 HOH   178 578 309 HOH   HOH A . 
I 6 HOH   179 579 49  HOH   HOH A . 
I 6 HOH   180 580 120 HOH   HOH A . 
I 6 HOH   181 581 263 HOH   HOH A . 
I 6 HOH   182 582 211 HOH   HOH A . 
I 6 HOH   183 583 91  HOH   HOH A . 
I 6 HOH   184 584 73  HOH   HOH A . 
I 6 HOH   185 585 106 HOH   HOH A . 
I 6 HOH   186 586 246 HOH   HOH A . 
I 6 HOH   187 587 121 HOH   HOH A . 
I 6 HOH   188 588 27  HOH   HOH A . 
I 6 HOH   189 589 302 HOH   HOH A . 
I 6 HOH   190 590 54  HOH   HOH A . 
I 6 HOH   191 591 229 HOH   HOH A . 
I 6 HOH   192 592 207 HOH   HOH A . 
I 6 HOH   193 593 85  HOH   HOH A . 
I 6 HOH   194 594 295 HOH   HOH A . 
I 6 HOH   195 595 65  HOH   HOH A . 
I 6 HOH   196 596 68  HOH   HOH A . 
I 6 HOH   197 597 166 HOH   HOH A . 
I 6 HOH   198 598 209 HOH   HOH A . 
I 6 HOH   199 599 276 HOH   HOH A . 
I 6 HOH   200 600 131 HOH   HOH A . 
I 6 HOH   201 601 311 HOH   HOH A . 
I 6 HOH   202 602 174 HOH   HOH A . 
I 6 HOH   203 603 203 HOH   HOH A . 
I 6 HOH   204 604 37  HOH   HOH A . 
I 6 HOH   205 605 275 HOH   HOH A . 
I 6 HOH   206 606 297 HOH   HOH A . 
I 6 HOH   207 607 293 HOH   HOH A . 
I 6 HOH   208 608 181 HOH   HOH A . 
I 6 HOH   209 609 84  HOH   HOH A . 
I 6 HOH   210 610 98  HOH   HOH A . 
I 6 HOH   211 611 74  HOH   HOH A . 
I 6 HOH   212 612 62  HOH   HOH A . 
I 6 HOH   213 613 122 HOH   HOH A . 
I 6 HOH   214 614 116 HOH   HOH A . 
I 6 HOH   215 615 239 HOH   HOH A . 
I 6 HOH   216 616 30  HOH   HOH A . 
I 6 HOH   217 617 176 HOH   HOH A . 
I 6 HOH   218 618 151 HOH   HOH A . 
I 6 HOH   219 619 95  HOH   HOH A . 
I 6 HOH   220 620 101 HOH   HOH A . 
I 6 HOH   221 621 170 HOH   HOH A . 
I 6 HOH   222 622 157 HOH   HOH A . 
I 6 HOH   223 623 238 HOH   HOH A . 
I 6 HOH   224 624 111 HOH   HOH A . 
I 6 HOH   225 625 140 HOH   HOH A . 
I 6 HOH   226 626 178 HOH   HOH A . 
I 6 HOH   227 627 182 HOH   HOH A . 
I 6 HOH   228 628 57  HOH   HOH A . 
I 6 HOH   229 629 252 HOH   HOH A . 
I 6 HOH   230 630 201 HOH   HOH A . 
I 6 HOH   231 631 87  HOH   HOH A . 
I 6 HOH   232 632 89  HOH   HOH A . 
I 6 HOH   233 633 14  HOH   HOH A . 
I 6 HOH   234 634 196 HOH   HOH A . 
I 6 HOH   235 635 164 HOH   HOH A . 
I 6 HOH   236 636 138 HOH   HOH A . 
I 6 HOH   237 637 294 HOH   HOH A . 
I 6 HOH   238 638 221 HOH   HOH A . 
I 6 HOH   239 639 316 HOH   HOH A . 
I 6 HOH   240 640 132 HOH   HOH A . 
I 6 HOH   241 641 270 HOH   HOH A . 
I 6 HOH   242 642 242 HOH   HOH A . 
I 6 HOH   243 643 234 HOH   HOH A . 
I 6 HOH   244 644 187 HOH   HOH A . 
I 6 HOH   245 645 219 HOH   HOH A . 
I 6 HOH   246 646 226 HOH   HOH A . 
I 6 HOH   247 647 63  HOH   HOH A . 
I 6 HOH   248 648 273 HOH   HOH A . 
I 6 HOH   249 649 163 HOH   HOH A . 
I 6 HOH   250 650 282 HOH   HOH A . 
I 6 HOH   251 651 160 HOH   HOH A . 
I 6 HOH   252 652 254 HOH   HOH A . 
I 6 HOH   253 653 183 HOH   HOH A . 
I 6 HOH   254 654 215 HOH   HOH A . 
I 6 HOH   255 655 169 HOH   HOH A . 
I 6 HOH   256 656 266 HOH   HOH A . 
I 6 HOH   257 657 251 HOH   HOH A . 
I 6 HOH   258 658 259 HOH   HOH A . 
I 6 HOH   259 659 290 HOH   HOH A . 
I 6 HOH   260 660 192 HOH   HOH A . 
I 6 HOH   261 661 258 HOH   HOH A . 
I 6 HOH   262 662 134 HOH   HOH A . 
I 6 HOH   263 663 296 HOH   HOH A . 
I 6 HOH   264 664 29  HOH   HOH A . 
I 6 HOH   265 665 186 HOH   HOH A . 
I 6 HOH   266 666 82  HOH   HOH A . 
I 6 HOH   267 667 130 HOH   HOH A . 
I 6 HOH   268 668 245 HOH   HOH A . 
I 6 HOH   269 669 315 HOH   HOH A . 
I 6 HOH   270 670 250 HOH   HOH A . 
I 6 HOH   271 671 110 HOH   HOH A . 
I 6 HOH   272 672 260 HOH   HOH A . 
I 6 HOH   273 673 240 HOH   HOH A . 
I 6 HOH   274 674 167 HOH   HOH A . 
I 6 HOH   275 675 142 HOH   HOH A . 
I 6 HOH   276 676 314 HOH   HOH A . 
I 6 HOH   277 677 210 HOH   HOH A . 
I 6 HOH   278 678 272 HOH   HOH A . 
I 6 HOH   279 679 147 HOH   HOH A . 
I 6 HOH   280 680 77  HOH   HOH A . 
I 6 HOH   281 681 76  HOH   HOH A . 
I 6 HOH   282 682 191 HOH   HOH A . 
I 6 HOH   283 683 112 HOH   HOH A . 
I 6 HOH   284 684 143 HOH   HOH A . 
I 6 HOH   285 685 208 HOH   HOH A . 
I 6 HOH   286 686 236 HOH   HOH A . 
I 6 HOH   287 687 261 HOH   HOH A . 
I 6 HOH   288 688 312 HOH   HOH A . 
I 6 HOH   289 689 301 HOH   HOH A . 
I 6 HOH   290 690 155 HOH   HOH A . 
I 6 HOH   291 691 265 HOH   HOH A . 
I 6 HOH   292 692 125 HOH   HOH A . 
I 6 HOH   293 693 158 HOH   HOH A . 
I 6 HOH   294 694 253 HOH   HOH A . 
I 6 HOH   295 695 213 HOH   HOH A . 
I 6 HOH   296 696 299 HOH   HOH A . 
I 6 HOH   297 697 102 HOH   HOH A . 
I 6 HOH   298 698 278 HOH   HOH A . 
I 6 HOH   299 699 93  HOH   HOH A . 
I 6 HOH   300 700 184 HOH   HOH A . 
I 6 HOH   301 701 224 HOH   HOH A . 
I 6 HOH   302 702 96  HOH   HOH A . 
I 6 HOH   303 703 217 HOH   HOH A . 
I 6 HOH   304 704 308 HOH   HOH A . 
I 6 HOH   305 705 305 HOH   HOH A . 
I 6 HOH   306 706 99  HOH   HOH A . 
I 6 HOH   307 707 133 HOH   HOH A . 
I 6 HOH   308 708 241 HOH   HOH A . 
I 6 HOH   309 709 165 HOH   HOH A . 
I 6 HOH   310 710 153 HOH   HOH A . 
I 6 HOH   311 711 195 HOH   HOH A . 
I 6 HOH   312 712 257 HOH   HOH A . 
I 6 HOH   313 713 119 HOH   HOH A . 
I 6 HOH   314 714 173 HOH   HOH A . 
I 6 HOH   315 715 159 HOH   HOH A . 
I 6 HOH   316 716 204 HOH   HOH A . 
# 
loop_
_pdbx_unobs_or_zero_occ_atoms.id 
_pdbx_unobs_or_zero_occ_atoms.PDB_model_num 
_pdbx_unobs_or_zero_occ_atoms.polymer_flag 
_pdbx_unobs_or_zero_occ_atoms.occupancy_flag 
_pdbx_unobs_or_zero_occ_atoms.auth_asym_id 
_pdbx_unobs_or_zero_occ_atoms.auth_comp_id 
_pdbx_unobs_or_zero_occ_atoms.auth_seq_id 
_pdbx_unobs_or_zero_occ_atoms.PDB_ins_code 
_pdbx_unobs_or_zero_occ_atoms.auth_atom_id 
_pdbx_unobs_or_zero_occ_atoms.label_alt_id 
_pdbx_unobs_or_zero_occ_atoms.label_asym_id 
_pdbx_unobs_or_zero_occ_atoms.label_comp_id 
_pdbx_unobs_or_zero_occ_atoms.label_seq_id 
_pdbx_unobs_or_zero_occ_atoms.label_atom_id 
1 1 Y 1 A GLN 113 ? CG  ? A GLN 113 CG  
2 1 Y 1 A GLN 113 ? CD  ? A GLN 113 CD  
3 1 Y 1 A GLN 113 ? OE1 ? A GLN 113 OE1 
4 1 Y 1 A GLN 113 ? NE2 ? A GLN 113 NE2 
# 
loop_
_software.classification 
_software.name 
_software.version 
_software.citation_id 
_software.pdbx_ordinal 
refinement       REFMAC 5.7.0029 ? 1 
'data scaling'   XSCALE .        ? 2 
'data reduction' XDS    .        ? 3 
phasing          PHASER .        ? 4 
# 
_cell.entry_id           7H68 
_cell.length_a           73.600 
_cell.length_b           73.600 
_cell.length_c           48.484 
_cell.angle_alpha        90.00 
_cell.angle_beta         90.00 
_cell.angle_gamma        90.00 
_cell.Z_PDB              4 
_cell.pdbx_unique_axis   ? 
# 
_symmetry.entry_id                         7H68 
_symmetry.space_group_name_H-M             'P 43' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                78 
# 
_exptl.entry_id          7H68 
_exptl.method            'X-RAY DIFFRACTION' 
_exptl.crystals_number   1 
# 
_exptl_crystal.id                    1 
_exptl_crystal.density_meas          ? 
_exptl_crystal.density_Matthews      2.63 
_exptl_crystal.density_percent_sol   53.21 
_exptl_crystal.description           ? 
# 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.method          MICROBATCH 
_exptl_crystal_grow.pH              8.5 
_exptl_crystal_grow.temp            293 
_exptl_crystal_grow.pdbx_details    
;Sample of human Chymase in 50 mM MES/NaOH pH 5.5, 150mM NaCl, 1mM TCEP, 10% Glycerol) at a concentration of 11mg/ml to 14mg/ml.Add [2-[(4-methylpyridin-2-yl)amino]-2-oxoethyl] 2-methylquinoline-4-carboxylate at 10x molar ratio. The compound helps to obtain crystals but is not visible in the structures. Add 0.5 mM ZnCl2. Add inhibitor, incubate for 16h on ice. Crystallize using microbatch setups with Al's oil (Hampton Research), with total drop size 1ul with 50% protein sample, using crystallization reagent of 0.1M Tris/HCl pH 8.5, 0.2M NaCl, 25% PEG 3350.
;
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp_details    ? 
# 
_diffrn.id                     1 
_diffrn.crystal_id             1 
_diffrn.ambient_temp           100 
_diffrn.ambient_temp_details   ? 
# 
_diffrn_detector.diffrn_id              1 
_diffrn_detector.type                   'MARMOSAIC 225 mm CCD' 
_diffrn_detector.detector               CCD 
_diffrn_detector.pdbx_collection_date   2009-03-11 
_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                    ? 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   1 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.pdbx_wavelength_list        1 
_diffrn_source.diffrn_id                   1 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.type                        'SLS BEAMLINE X06SA' 
_diffrn_source.pdbx_synchrotron_site       SLS 
_diffrn_source.pdbx_synchrotron_beamline   X06SA 
_diffrn_source.pdbx_wavelength             ? 
# 
_reflns.entry_id                     7H68 
_reflns.pdbx_diffrn_id               1 
_reflns.pdbx_ordinal                 1 
_reflns.d_resolution_low             32.91 
_reflns.d_resolution_high            1.22 
_reflns.number_obs                   67565 
_reflns.percent_possible_obs         86.6 
_reflns.pdbx_Rmerge_I_obs            0.031 
_reflns.pdbx_netI_over_sigmaI        19.65 
_reflns.pdbx_Rrim_I_all              0.036 
_reflns.pdbx_CC_half                 0.999 
_reflns.pdbx_number_measured_all     213822 
_reflns.observed_criterion_sigma_I   ? 
_reflns.observed_criterion_sigma_F   ? 
_reflns.number_all                   ? 
_reflns.pdbx_Rsym_value              ? 
_reflns.B_iso_Wilson_estimate        ? 
_reflns.pdbx_redundancy              ? 
# 
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_unique_obs 
_reflns_shell.Rmerge_I_obs 
_reflns_shell.percent_possible_obs 
_reflns_shell.pdbx_netI_over_sigmaI_obs 
_reflns_shell.pdbx_Rrim_I_all 
_reflns_shell.pdbx_CC_half 
_reflns_shell.percent_possible_all 
_reflns_shell.pdbx_Rsym_value 
_reflns_shell.meanI_over_sigI_obs 
_reflns_shell.pdbx_redundancy 
1 1  1.22 1.25  2434  1872 0.457 32.5 1.38  0.611 0.612 ? ? ? ? 
1 2  1.25 1.28  4471  3017 0.34  53.9 1.83  0.457 0.749 ? ? ? ? 
1 3  1.28 1.32  6285  3607 0.291 66.2 2.40  0.385 0.814 ? ? ? ? 
1 4  1.32 1.36  8325  4041 0.242 76.4 3.30  0.311 0.879 ? ? ? ? 
1 5  1.36 1.4   10942 4578 0.199 89.7 4.36  0.249 0.922 ? ? ? ? 
1 6  1.40 1.45  14815 4894 0.169 98.4 6.09  0.204 0.95  ? ? ? ? 
1 7  1.45 1.51  17349 4792 0.138 99.5 8.58  0.162 0.975 ? ? ? ? 
1 8  1.51 1.57  16749 4579 0.109 99.2 11.03 0.127 0.985 ? ? ? ? 
1 9  1.57 1.64  16138 4397 0.084 99.6 14.17 0.098 0.992 ? ? ? ? 
1 10 1.64 1.72  15515 4224 0.068 99.8 17.26 0.08  0.994 ? ? ? ? 
1 11 1.72 1.81  14733 4002 0.054 99.7 21.64 0.063 0.996 ? ? ? ? 
1 12 1.81 1.92  14085 3827 0.043 99.8 26.43 0.05  0.997 ? ? ? ? 
1 13 1.92 2.05  13226 3593 0.034 99.8 32.64 0.039 0.998 ? ? ? ? 
1 14 2.05 2.22  12242 3326 0.029 99.8 36.83 0.034 0.999 ? ? ? ? 
1 15 2.22 2.43  11310 3068 0.026 99.6 40.84 0.031 0.999 ? ? ? ? 
1 16 2.43 2.72  10234 2791 0.025 99.6 43.58 0.029 0.999 ? ? ? ? 
1 17 2.72 3.14  9031  2462 0.023 99.4 47.66 0.027 0.999 ? ? ? ? 
1 18 3.14 3.84  7587  2085 0.019 99.3 51.11 0.023 0.999 ? ? ? ? 
1 19 3.84 5.44  5629  1587 0.017 97.4 51.81 0.02  0.999 ? ? ? ? 
1 20 5.44 32.91 2722  823  0.02  88.3 49.47 0.024 0.999 ? ? ? ? 
# 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.entry_id                                 7H68 
_refine.pdbx_diffrn_id                           1 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.ls_number_reflns_obs                     60896 
_refine.ls_number_reflns_all                     ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.ls_d_res_low                             32.91 
_refine.ls_d_res_high                            1.25 
_refine.ls_percent_reflns_obs                    89.46 
_refine.ls_R_factor_obs                          0.12605 
_refine.ls_R_factor_all                          ? 
_refine.ls_R_factor_R_work                       0.12483 
_refine.ls_R_factor_R_free                       0.14810 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_percent_reflns_R_free                 5.2 
_refine.ls_number_reflns_R_free                  3309 
_refine.ls_number_parameters                     ? 
_refine.ls_number_restraints                     ? 
_refine.occupancy_min                            ? 
_refine.occupancy_max                            ? 
_refine.correlation_coeff_Fo_to_Fc               0.980 
_refine.correlation_coeff_Fo_to_Fc_free          0.973 
_refine.B_iso_mean                               15.312 
_refine.aniso_B[1][1]                            -0.05 
_refine.aniso_B[2][2]                            -0.05 
_refine.aniso_B[3][3]                            0.09 
_refine.aniso_B[1][2]                            0.00 
_refine.aniso_B[1][3]                            -0.00 
_refine.aniso_B[2][3]                            -0.00 
_refine.solvent_model_details                    'BABINET MODEL WITH MASK' 
_refine.solvent_model_param_ksol                 ? 
_refine.solvent_model_param_bsol                 ? 
_refine.pdbx_solvent_vdw_probe_radii             1.20 
_refine.pdbx_solvent_ion_probe_radii             0.80 
_refine.pdbx_solvent_shrinkage_radii             0.80 
_refine.pdbx_ls_cross_valid_method               THROUGHOUT 
_refine.details                                  'HYDROGENS HAVE BEEN ADDED IN THE RIDING POSITIONS' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_stereochemistry_target_values       'MAXIMUM LIKELIHOOD' 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_R_Free_selection_details            RANDOM 
_refine.pdbx_overall_ESU_R                       0.038 
_refine.pdbx_overall_ESU_R_Free                  0.037 
_refine.overall_SU_ML                            0.021 
_refine.pdbx_overall_phase_error                 ? 
_refine.overall_SU_B                             1.079 
_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        1755 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         48 
_refine_hist.number_atoms_solvent             316 
_refine_hist.number_atoms_total               2119 
_refine_hist.d_res_high                       1.25 
_refine_hist.d_res_low                        32.91 
# 
loop_
_refine_ls_restr.type 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.weight 
_refine_ls_restr.number 
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.pdbx_restraint_function 
r_bond_refined_d             0.009  0.019  ? 1910 'X-RAY DIFFRACTION' ? 
r_bond_other_d               0.001  0.020  ? 1830 'X-RAY DIFFRACTION' ? 
r_angle_refined_deg          1.439  1.986  ? 2605 'X-RAY DIFFRACTION' ? 
r_angle_other_deg            0.774  3.003  ? 4219 'X-RAY DIFFRACTION' ? 
r_dihedral_angle_1_deg       6.135  5.000  ? 245  'X-RAY DIFFRACTION' ? 
r_dihedral_angle_2_deg       33.633 22.785 ? 79   'X-RAY DIFFRACTION' ? 
r_dihedral_angle_3_deg       10.532 15.000 ? 322  'X-RAY DIFFRACTION' ? 
r_dihedral_angle_4_deg       12.304 15.000 ? 15   'X-RAY DIFFRACTION' ? 
r_chiral_restr               0.093  0.200  ? 285  'X-RAY DIFFRACTION' ? 
r_gen_planes_refined         0.007  0.021  ? 2149 'X-RAY DIFFRACTION' ? 
r_gen_planes_other           0.001  0.020  ? 440  'X-RAY DIFFRACTION' ? 
r_nbd_refined                ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_nbd_other                  ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_nbtor_refined              ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_nbtor_other                ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_xyhbond_nbd_refined        ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_xyhbond_nbd_other          ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_metal_ion_refined          ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_metal_ion_other            ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_symmetry_vdw_refined       ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_symmetry_vdw_other         ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_symmetry_hbond_refined     ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_symmetry_hbond_other       ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_symmetry_metal_ion_refined ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_symmetry_metal_ion_other   ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_mcbond_it                  ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_mcbond_other               ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_mcangle_it                 ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_mcangle_other              ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_scbond_it                  ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_scbond_other               ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_scangle_it                 ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_scangle_other              ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_long_range_B_refined       ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_long_range_B_other         ?      ?      ? ?    'X-RAY DIFFRACTION' ? 
r_rigid_bond_restr           2.381  3.000  ? 3740 'X-RAY DIFFRACTION' ? 
r_sphericity_free            21.605 5.000  ? 76   'X-RAY DIFFRACTION' ? 
r_sphericity_bonded          5.300  5.000  ? 3932 'X-RAY DIFFRACTION' ? 
# 
_refine_ls_shell.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_ls_shell.pdbx_total_number_of_bins_used   20 
_refine_ls_shell.d_res_high                       1.250 
_refine_ls_shell.d_res_low                        1.282 
_refine_ls_shell.number_reflns_R_work             2412 
_refine_ls_shell.R_factor_R_work                  0.236 
_refine_ls_shell.percent_reflns_obs               48.39 
_refine_ls_shell.R_factor_R_free                  0.289 
_refine_ls_shell.R_factor_R_free_error            ? 
_refine_ls_shell.percent_reflns_R_free            ? 
_refine_ls_shell.number_reflns_R_free             136 
_refine_ls_shell.number_reflns_all                ? 
_refine_ls_shell.R_factor_all                     ? 
# 
_struct.entry_id                  7H68 
_struct.title                     
;THE 1.25 A CRYSTAL STRUCTURE OF HUMAN CHYMASE IN COMPLEX WITH (2R)-2-benzyl-4-[(R)-(5-fluoro-3-methyl-1H-indol-2-yl)-phenylmethyl]-3-hydroxy-2H-furan-5-one
;
_struct.pdbx_model_details        ? 
_struct.pdbx_CASP_flag            ? 
_struct.pdbx_model_type_details   ? 
# 
_struct_keywords.entry_id        7H68 
_struct_keywords.pdbx_keywords   HYDROLASE 
_struct_keywords.text            'HUMAN CHYMASE, SERINE PROTEINASE, HYDROLASE' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 3 ? 
E N N 3 ? 
F N N 4 ? 
G N N 4 ? 
H N N 5 ? 
I N N 6 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    CMA1_HUMAN 
_struct_ref.pdbx_db_accession          P23946 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;IIGGTECKPHSRPYMAYLEIVTSNGPSKFCGGFLIRRNFVLTAAHCAGRSITVTLGAHNITEEEDTWQKLEVIKQFRHPK
YNTSTLHHDIMLLKLKEKASLTLAVGTLPFPSQFNFVPPGRMCRVAGWGRTGVLKPGSDTLQEVKLRLMDPQACSHFRDF
DHNLQLCVGNPRKTKSAFKGDSGGPLLCAGVAQGIVSYGRSDAKPPAVFTRISHYRPWINQILQAN
;
_struct_ref.pdbx_align_begin           22 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              7H68 
_struct_ref_seq.pdbx_strand_id                A 
_struct_ref_seq.seq_align_beg                 1 
_struct_ref_seq.pdbx_seq_align_beg_ins_code   ? 
_struct_ref_seq.seq_align_end                 226 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P23946 
_struct_ref_seq.db_align_beg                  22 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  247 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       1 
_struct_ref_seq.pdbx_auth_seq_align_end       226 
# 
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 7H68 SER A 7   ? UNP P23946 CYS 28  'engineered mutation' 7   1 
1 7H68 LYS A 114 ? UNP P23946 PHE 135 'engineered mutation' 114 2 
# 
_pdbx_struct_assembly.id                   1 
_pdbx_struct_assembly.details              author_defined_assembly 
_pdbx_struct_assembly.method_details       ? 
_pdbx_struct_assembly.oligomeric_details   monomeric 
_pdbx_struct_assembly.oligomeric_count     1 
# 
_pdbx_struct_assembly_gen.assembly_id       1 
_pdbx_struct_assembly_gen.oper_expression   1 
_pdbx_struct_assembly_gen.asym_id_list      A,B,C,D,E,F,G,H,I 
# 
_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 ALA A 43  ? ALA A 47  ? ALA A 43  ALA A 47  5 ? 5  
HELX_P HELX_P2 AA2 ASP A 150 ? SER A 155 ? ASP A 150 SER A 155 5 ? 6  
HELX_P HELX_P3 AA3 ILE A 212 ? ASN A 226 ? ILE A 212 ASN A 226 1 ? 15 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
loop_
_struct_conn.id 
_struct_conn.conn_type_id 
_struct_conn.pdbx_leaving_atom_flag 
_struct_conn.pdbx_PDB_id 
_struct_conn.ptnr1_label_asym_id 
_struct_conn.ptnr1_label_comp_id 
_struct_conn.ptnr1_label_seq_id 
_struct_conn.ptnr1_label_atom_id 
_struct_conn.pdbx_ptnr1_label_alt_id 
_struct_conn.pdbx_ptnr1_PDB_ins_code 
_struct_conn.pdbx_ptnr1_standard_comp_id 
_struct_conn.ptnr1_symmetry 
_struct_conn.ptnr2_label_asym_id 
_struct_conn.ptnr2_label_comp_id 
_struct_conn.ptnr2_label_seq_id 
_struct_conn.ptnr2_label_atom_id 
_struct_conn.pdbx_ptnr2_label_alt_id 
_struct_conn.pdbx_ptnr2_PDB_ins_code 
_struct_conn.ptnr1_auth_asym_id 
_struct_conn.ptnr1_auth_comp_id 
_struct_conn.ptnr1_auth_seq_id 
_struct_conn.ptnr2_auth_asym_id 
_struct_conn.ptnr2_auth_comp_id 
_struct_conn.ptnr2_auth_seq_id 
_struct_conn.ptnr2_symmetry 
_struct_conn.pdbx_ptnr3_label_atom_id 
_struct_conn.pdbx_ptnr3_label_seq_id 
_struct_conn.pdbx_ptnr3_label_comp_id 
_struct_conn.pdbx_ptnr3_label_asym_id 
_struct_conn.pdbx_ptnr3_label_alt_id 
_struct_conn.pdbx_ptnr3_PDB_ins_code 
_struct_conn.details 
_struct_conn.pdbx_dist_value 
_struct_conn.pdbx_value_order 
_struct_conn.pdbx_role 
disulf1 disulf ? ? A CYS 30  SG  ? ? ? 1_555 A CYS 46  SG ? ? A CYS 30  A CYS 46  1_555 ? ? ? ? ? ? ? 2.053 ? ? 
disulf2 disulf ? ? A CYS 123 SG  ? ? ? 1_555 A CYS 188 SG ? ? A CYS 123 A CYS 188 1_555 ? ? ? ? ? ? ? 2.069 ? ? 
disulf3 disulf ? ? A CYS 154 SG  ? ? ? 1_555 A CYS 167 SG ? ? A CYS 154 A CYS 167 1_555 ? ? ? ? ? ? ? 2.047 ? ? 
metalc1 metalc ? ? A HIS 10  NE2 ? ? ? 1_555 B ZN  .   ZN ? ? A HIS 10  A ZN  301 1_555 ? ? ? ? ? ? ? 2.055 ? ? 
metalc2 metalc ? ? A GLU 64  OE2 ? ? ? 1_555 B ZN  .   ZN ? ? A GLU 64  A ZN  301 1_555 ? ? ? ? ? ? ? 1.959 ? ? 
metalc3 metalc ? ? A GLU 71  OE2 ? ? ? 1_555 B ZN  .   ZN ? ? A GLU 71  A ZN  301 2_654 ? ? ? ? ? ? ? 1.937 ? ? 
metalc4 metalc ? ? A LYS 96  NZ  ? ? ? 1_555 B ZN  .   ZN ? ? A LYS 96  A ZN  301 2_654 ? ? ? ? ? ? ? 2.101 ? ? 
# 
loop_
_struct_conn_type.id 
_struct_conn_type.criteria 
_struct_conn_type.reference 
disulf ? ? 
metalc ? ? 
# 
loop_
_pdbx_struct_conn_angle.id 
_pdbx_struct_conn_angle.ptnr1_label_atom_id 
_pdbx_struct_conn_angle.ptnr1_label_alt_id 
_pdbx_struct_conn_angle.ptnr1_label_asym_id 
_pdbx_struct_conn_angle.ptnr1_label_comp_id 
_pdbx_struct_conn_angle.ptnr1_label_seq_id 
_pdbx_struct_conn_angle.ptnr1_auth_atom_id 
_pdbx_struct_conn_angle.ptnr1_auth_asym_id 
_pdbx_struct_conn_angle.ptnr1_auth_comp_id 
_pdbx_struct_conn_angle.ptnr1_auth_seq_id 
_pdbx_struct_conn_angle.ptnr1_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr1_symmetry 
_pdbx_struct_conn_angle.ptnr2_label_atom_id 
_pdbx_struct_conn_angle.ptnr2_label_alt_id 
_pdbx_struct_conn_angle.ptnr2_label_asym_id 
_pdbx_struct_conn_angle.ptnr2_label_comp_id 
_pdbx_struct_conn_angle.ptnr2_label_seq_id 
_pdbx_struct_conn_angle.ptnr2_auth_atom_id 
_pdbx_struct_conn_angle.ptnr2_auth_asym_id 
_pdbx_struct_conn_angle.ptnr2_auth_comp_id 
_pdbx_struct_conn_angle.ptnr2_auth_seq_id 
_pdbx_struct_conn_angle.ptnr2_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr2_symmetry 
_pdbx_struct_conn_angle.ptnr3_label_atom_id 
_pdbx_struct_conn_angle.ptnr3_label_alt_id 
_pdbx_struct_conn_angle.ptnr3_label_asym_id 
_pdbx_struct_conn_angle.ptnr3_label_comp_id 
_pdbx_struct_conn_angle.ptnr3_label_seq_id 
_pdbx_struct_conn_angle.ptnr3_auth_atom_id 
_pdbx_struct_conn_angle.ptnr3_auth_asym_id 
_pdbx_struct_conn_angle.ptnr3_auth_comp_id 
_pdbx_struct_conn_angle.ptnr3_auth_seq_id 
_pdbx_struct_conn_angle.ptnr3_PDB_ins_code 
_pdbx_struct_conn_angle.ptnr3_symmetry 
_pdbx_struct_conn_angle.value 
_pdbx_struct_conn_angle.value_esd 
1 NE2 ? A HIS 10 ? A HIS 10 ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 OE2 ? A GLU 64 ? A GLU 64 ? 1_555 123.5 ? 
2 NE2 ? A HIS 10 ? A HIS 10 ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 OE2 ? A GLU 71 ? A GLU 71 ? 1_555 72.3  ? 
3 OE2 ? A GLU 64 ? A GLU 64 ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 OE2 ? A GLU 71 ? A GLU 71 ? 1_555 51.5  ? 
4 NE2 ? A HIS 10 ? A HIS 10 ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 NZ  ? A LYS 96 ? A LYS 96 ? 1_555 73.5  ? 
5 OE2 ? A GLU 64 ? A GLU 64 ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 NZ  ? A LYS 96 ? A LYS 96 ? 1_555 51.5  ? 
6 OE2 ? A GLU 71 ? A GLU 71 ? 1_555 ZN ? B ZN . ? A ZN 301 ? 1_555 NZ  ? A LYS 96 ? A LYS 96 ? 1_555 6.6   ? 
# 
loop_
_pdbx_modification_feature.ordinal 
_pdbx_modification_feature.label_comp_id 
_pdbx_modification_feature.label_asym_id 
_pdbx_modification_feature.label_seq_id 
_pdbx_modification_feature.label_alt_id 
_pdbx_modification_feature.modified_residue_label_comp_id 
_pdbx_modification_feature.modified_residue_label_asym_id 
_pdbx_modification_feature.modified_residue_label_seq_id 
_pdbx_modification_feature.modified_residue_label_alt_id 
_pdbx_modification_feature.auth_comp_id 
_pdbx_modification_feature.auth_asym_id 
_pdbx_modification_feature.auth_seq_id 
_pdbx_modification_feature.PDB_ins_code 
_pdbx_modification_feature.symmetry 
_pdbx_modification_feature.modified_residue_auth_comp_id 
_pdbx_modification_feature.modified_residue_auth_asym_id 
_pdbx_modification_feature.modified_residue_auth_seq_id 
_pdbx_modification_feature.modified_residue_PDB_ins_code 
_pdbx_modification_feature.modified_residue_symmetry 
_pdbx_modification_feature.comp_id_linking_atom 
_pdbx_modification_feature.modified_residue_id_linking_atom 
_pdbx_modification_feature.modified_residue_id 
_pdbx_modification_feature.ref_pcm_id 
_pdbx_modification_feature.ref_comp_id 
_pdbx_modification_feature.type 
_pdbx_modification_feature.category 
1 CYS A 30  ? CYS A 46  ? CYS A 30  ? 1_555 CYS A 46  ? 1_555 SG SG . . . None 'Disulfide bridge' 
2 CYS A 123 ? CYS A 188 ? CYS A 123 ? 1_555 CYS A 188 ? 1_555 SG SG . . . None 'Disulfide bridge' 
3 CYS A 154 ? CYS A 167 ? CYS A 154 ? 1_555 CYS A 167 ? 1_555 SG SG . . . None 'Disulfide bridge' 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          PRO 
_struct_mon_prot_cis.label_seq_id           205 
_struct_mon_prot_cis.label_asym_id          A 
_struct_mon_prot_cis.label_alt_id           . 
_struct_mon_prot_cis.pdbx_PDB_ins_code      ? 
_struct_mon_prot_cis.auth_comp_id           PRO 
_struct_mon_prot_cis.auth_seq_id            205 
_struct_mon_prot_cis.auth_asym_id           A 
_struct_mon_prot_cis.pdbx_label_comp_id_2   PRO 
_struct_mon_prot_cis.pdbx_label_seq_id_2    206 
_struct_mon_prot_cis.pdbx_label_asym_id_2   A 
_struct_mon_prot_cis.pdbx_PDB_ins_code_2    ? 
_struct_mon_prot_cis.pdbx_auth_comp_id_2    PRO 
_struct_mon_prot_cis.pdbx_auth_seq_id_2     206 
_struct_mon_prot_cis.pdbx_auth_asym_id_2    A 
_struct_mon_prot_cis.pdbx_PDB_model_num     1 
_struct_mon_prot_cis.pdbx_omega_angle       5.24 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 8 ? 
AA2 ? 7 ? 
# 
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 ? anti-parallel 
AA2 1 2 ? anti-parallel 
AA2 2 3 ? anti-parallel 
AA2 3 4 ? anti-parallel 
AA2 4 5 ? anti-parallel 
AA2 5 6 ? anti-parallel 
AA2 6 7 ? anti-parallel 
# 
loop_
_struct_sheet_range.sheet_id 
_struct_sheet_range.id 
_struct_sheet_range.beg_label_comp_id 
_struct_sheet_range.beg_label_asym_id 
_struct_sheet_range.beg_label_seq_id 
_struct_sheet_range.pdbx_beg_PDB_ins_code 
_struct_sheet_range.end_label_comp_id 
_struct_sheet_range.end_label_asym_id 
_struct_sheet_range.end_label_seq_id 
_struct_sheet_range.pdbx_end_PDB_ins_code 
_struct_sheet_range.beg_auth_comp_id 
_struct_sheet_range.beg_auth_asym_id 
_struct_sheet_range.beg_auth_seq_id 
_struct_sheet_range.end_auth_comp_id 
_struct_sheet_range.end_auth_asym_id 
_struct_sheet_range.end_auth_seq_id 
AA1 1 THR A 5   ? GLU A 6   ? THR A 5   GLU A 6   
AA1 2 GLN A 142 ? MET A 149 ? GLN A 142 MET A 149 
AA1 3 GLN A 165 ? VAL A 168 ? GLN A 165 VAL A 168 
AA1 4 ALA A 207 ? ARG A 211 ? ALA A 207 ARG A 211 
AA1 5 VAL A 191 ? TYR A 198 ? VAL A 191 TYR A 198 
AA1 6 PRO A 185 ? CYS A 188 ? PRO A 185 CYS A 188 
AA1 7 MET A 122 ? GLY A 127 ? MET A 122 GLY A 127 
AA1 8 GLN A 142 ? MET A 149 ? GLN A 142 MET A 149 
AA2 1 MET A 15  ? THR A 22  ? MET A 15  THR A 22  
AA2 2 GLY A 25  ? ARG A 36  ? GLY A 25  ARG A 36  
AA2 3 PHE A 39  ? THR A 42  ? PHE A 39  THR A 42  
AA2 4 MET A 91  ? LEU A 95  ? MET A 91  LEU A 95  
AA2 5 GLN A 68  ? ARG A 77  ? GLN A 68  ARG A 77  
AA2 6 SER A 50  ? LEU A 55  ? SER A 50  LEU A 55  
AA2 7 MET A 15  ? THR A 22  ? MET A 15  THR A 22  
# 
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 THR A 5   ? N THR A 5   O GLU A 143 ? O GLU A 143 
AA1 2 3 N MET A 149 ? N MET A 149 O CYS A 167 ? O CYS A 167 
AA1 3 4 N VAL A 168 ? N VAL A 168 O ALA A 207 ? O ALA A 207 
AA1 4 5 O VAL A 208 ? O VAL A 208 N TYR A 198 ? N TYR A 198 
AA1 5 6 O GLN A 193 ? O GLN A 193 N LEU A 186 ? N LEU A 186 
AA1 6 7 O LEU A 187 ? O LEU A 187 N ARG A 124 ? N ARG A 124 
AA1 7 8 N CYS A 123 ? N CYS A 123 O LEU A 146 ? O LEU A 146 
AA2 1 2 N ILE A 20  ? N ILE A 20  O LYS A 28  ? O LYS A 28  
AA2 2 3 N PHE A 33  ? N PHE A 33  O LEU A 41  ? O LEU A 41  
AA2 3 4 N VAL A 40  ? N VAL A 40  O LEU A 93  ? O LEU A 93  
AA2 4 5 O LEU A 92  ? O LEU A 92  N PHE A 76  ? N PHE A 76  
AA2 5 6 O LEU A 70  ? O LEU A 70  N VAL A 53  ? N VAL A 53  
AA2 6 7 O SER A 50  ? O SER A 50  N VAL A 21  ? N VAL A 21  
# 
_pdbx_entry_details.entry_id                   7H68 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.has_ligand_of_interest     ? 
_pdbx_entry_details.has_protein_modification   Y 
# 
_pdbx_validate_close_contact.id               1 
_pdbx_validate_close_contact.PDB_model_num    1 
_pdbx_validate_close_contact.auth_atom_id_1   HE2 
_pdbx_validate_close_contact.auth_asym_id_1   A 
_pdbx_validate_close_contact.auth_comp_id_1   HIS 
_pdbx_validate_close_contact.auth_seq_id_1    10 
_pdbx_validate_close_contact.PDB_ins_code_1   ? 
_pdbx_validate_close_contact.label_alt_id_1   ? 
_pdbx_validate_close_contact.auth_atom_id_2   ZN 
_pdbx_validate_close_contact.auth_asym_id_2   A 
_pdbx_validate_close_contact.auth_comp_id_2   ZN 
_pdbx_validate_close_contact.auth_seq_id_2    301 
_pdbx_validate_close_contact.PDB_ins_code_2   ? 
_pdbx_validate_close_contact.label_alt_id_2   ? 
_pdbx_validate_close_contact.dist             1.23 
# 
_pdbx_validate_symm_contact.id                1 
_pdbx_validate_symm_contact.PDB_model_num     1 
_pdbx_validate_symm_contact.auth_atom_id_1    HZ1 
_pdbx_validate_symm_contact.auth_asym_id_1    A 
_pdbx_validate_symm_contact.auth_comp_id_1    LYS 
_pdbx_validate_symm_contact.auth_seq_id_1     96 
_pdbx_validate_symm_contact.PDB_ins_code_1    ? 
_pdbx_validate_symm_contact.label_alt_id_1    ? 
_pdbx_validate_symm_contact.site_symmetry_1   1_555 
_pdbx_validate_symm_contact.auth_atom_id_2    ZN 
_pdbx_validate_symm_contact.auth_asym_id_2    A 
_pdbx_validate_symm_contact.auth_comp_id_2    ZN 
_pdbx_validate_symm_contact.auth_seq_id_2     301 
_pdbx_validate_symm_contact.PDB_ins_code_2    ? 
_pdbx_validate_symm_contact.label_alt_id_2    ? 
_pdbx_validate_symm_contact.site_symmetry_2   2_654 
_pdbx_validate_symm_contact.dist              1.23 
# 
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 HIS A 58  ? ? -123.99 -74.22 
2 1 SER A 197 ? ? -115.00 -78.45 
# 
loop_
_pdbx_distant_solvent_atoms.id 
_pdbx_distant_solvent_atoms.PDB_model_num 
_pdbx_distant_solvent_atoms.auth_atom_id 
_pdbx_distant_solvent_atoms.label_alt_id 
_pdbx_distant_solvent_atoms.auth_asym_id 
_pdbx_distant_solvent_atoms.auth_comp_id 
_pdbx_distant_solvent_atoms.auth_seq_id 
_pdbx_distant_solvent_atoms.PDB_ins_code 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance 
1 1 O ? A HOH 714 ? 6.66 . 
2 1 O ? A HOH 715 ? 6.75 . 
3 1 O ? A HOH 716 ? 7.00 . 
# 
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 
A1AO4 C4   C  N R 1   
A1AO4 C6   C  Y N 2   
A1AO4 C7   C  N N 3   
A1AO4 C10  C  N R 4   
A1AO4 C13  C  Y N 5   
A1AO4 C15  C  Y N 6   
A1AO4 C20  C  Y N 7   
A1AO4 C21  C  Y N 8   
A1AO4 C24  C  Y N 9   
A1AO4 C26  C  Y N 10  
A1AO4 C28  C  Y N 11  
A1AO4 C1   C  N N 12  
A1AO4 C2   C  Y N 13  
A1AO4 C3   C  N N 14  
A1AO4 N5   N  Y N 15  
A1AO4 O8   O  N N 16  
A1AO4 C9   C  Y N 17  
A1AO4 C11  C  Y N 18  
A1AO4 O12  O  N N 19  
A1AO4 C14  C  N N 20  
A1AO4 C16  C  Y N 21  
A1AO4 O17  O  N N 22  
A1AO4 C18  C  Y N 23  
A1AO4 C19  C  N N 24  
A1AO4 F22  F  N N 25  
A1AO4 C23  C  Y N 26  
A1AO4 C25  C  Y N 27  
A1AO4 C27  C  Y N 28  
A1AO4 C29  C  Y N 29  
A1AO4 C30  C  Y N 30  
A1AO4 C31  C  Y N 31  
A1AO4 C32  C  Y N 32  
A1AO4 H1   H  N N 33  
A1AO4 H2   H  N N 34  
A1AO4 H3   H  N N 35  
A1AO4 H4   H  N N 36  
A1AO4 H5   H  N N 37  
A1AO4 H6   H  N N 38  
A1AO4 H7   H  N N 39  
A1AO4 H8   H  N N 40  
A1AO4 H9   H  N N 41  
A1AO4 H10  H  N N 42  
A1AO4 H11  H  N N 43  
A1AO4 H12  H  N N 44  
A1AO4 H13  H  N N 45  
A1AO4 H14  H  N N 46  
A1AO4 H15  H  N N 47  
A1AO4 H16  H  N N 48  
A1AO4 H17  H  N N 49  
A1AO4 H18  H  N N 50  
A1AO4 H19  H  N N 51  
A1AO4 H20  H  N N 52  
A1AO4 H21  H  N N 53  
A1AO4 H22  H  N N 54  
ALA   N    N  N N 55  
ALA   CA   C  N S 56  
ALA   C    C  N N 57  
ALA   O    O  N N 58  
ALA   CB   C  N N 59  
ALA   OXT  O  N N 60  
ALA   H    H  N N 61  
ALA   H2   H  N N 62  
ALA   HA   H  N N 63  
ALA   HB1  H  N N 64  
ALA   HB2  H  N N 65  
ALA   HB3  H  N N 66  
ALA   HXT  H  N N 67  
ARG   N    N  N N 68  
ARG   CA   C  N S 69  
ARG   C    C  N N 70  
ARG   O    O  N N 71  
ARG   CB   C  N N 72  
ARG   CG   C  N N 73  
ARG   CD   C  N N 74  
ARG   NE   N  N N 75  
ARG   CZ   C  N N 76  
ARG   NH1  N  N N 77  
ARG   NH2  N  N N 78  
ARG   OXT  O  N N 79  
ARG   H    H  N N 80  
ARG   H2   H  N N 81  
ARG   HA   H  N N 82  
ARG   HB2  H  N N 83  
ARG   HB3  H  N N 84  
ARG   HG2  H  N N 85  
ARG   HG3  H  N N 86  
ARG   HD2  H  N N 87  
ARG   HD3  H  N N 88  
ARG   HE   H  N N 89  
ARG   HH11 H  N N 90  
ARG   HH12 H  N N 91  
ARG   HH21 H  N N 92  
ARG   HH22 H  N N 93  
ARG   HXT  H  N N 94  
ASN   N    N  N N 95  
ASN   CA   C  N S 96  
ASN   C    C  N N 97  
ASN   O    O  N N 98  
ASN   CB   C  N N 99  
ASN   CG   C  N N 100 
ASN   OD1  O  N N 101 
ASN   ND2  N  N N 102 
ASN   OXT  O  N N 103 
ASN   H    H  N N 104 
ASN   H2   H  N N 105 
ASN   HA   H  N N 106 
ASN   HB2  H  N N 107 
ASN   HB3  H  N N 108 
ASN   HD21 H  N N 109 
ASN   HD22 H  N N 110 
ASN   HXT  H  N N 111 
ASP   N    N  N N 112 
ASP   CA   C  N S 113 
ASP   C    C  N N 114 
ASP   O    O  N N 115 
ASP   CB   C  N N 116 
ASP   CG   C  N N 117 
ASP   OD1  O  N N 118 
ASP   OD2  O  N N 119 
ASP   OXT  O  N N 120 
ASP   H    H  N N 121 
ASP   H2   H  N N 122 
ASP   HA   H  N N 123 
ASP   HB2  H  N N 124 
ASP   HB3  H  N N 125 
ASP   HD2  H  N N 126 
ASP   HXT  H  N N 127 
CL    CL   CL N N 128 
CYS   N    N  N N 129 
CYS   CA   C  N R 130 
CYS   C    C  N N 131 
CYS   O    O  N N 132 
CYS   CB   C  N N 133 
CYS   SG   S  N N 134 
CYS   OXT  O  N N 135 
CYS   H    H  N N 136 
CYS   H2   H  N N 137 
CYS   HA   H  N N 138 
CYS   HB2  H  N N 139 
CYS   HB3  H  N N 140 
CYS   HG   H  N N 141 
CYS   HXT  H  N N 142 
GLN   N    N  N N 143 
GLN   CA   C  N S 144 
GLN   C    C  N N 145 
GLN   O    O  N N 146 
GLN   CB   C  N N 147 
GLN   CG   C  N N 148 
GLN   CD   C  N N 149 
GLN   OE1  O  N N 150 
GLN   NE2  N  N N 151 
GLN   OXT  O  N N 152 
GLN   H    H  N N 153 
GLN   H2   H  N N 154 
GLN   HA   H  N N 155 
GLN   HB2  H  N N 156 
GLN   HB3  H  N N 157 
GLN   HG2  H  N N 158 
GLN   HG3  H  N N 159 
GLN   HE21 H  N N 160 
GLN   HE22 H  N N 161 
GLN   HXT  H  N N 162 
GLU   N    N  N N 163 
GLU   CA   C  N S 164 
GLU   C    C  N N 165 
GLU   O    O  N N 166 
GLU   CB   C  N N 167 
GLU   CG   C  N N 168 
GLU   CD   C  N N 169 
GLU   OE1  O  N N 170 
GLU   OE2  O  N N 171 
GLU   OXT  O  N N 172 
GLU   H    H  N N 173 
GLU   H2   H  N N 174 
GLU   HA   H  N N 175 
GLU   HB2  H  N N 176 
GLU   HB3  H  N N 177 
GLU   HG2  H  N N 178 
GLU   HG3  H  N N 179 
GLU   HE2  H  N N 180 
GLU   HXT  H  N N 181 
GLY   N    N  N N 182 
GLY   CA   C  N N 183 
GLY   C    C  N N 184 
GLY   O    O  N N 185 
GLY   OXT  O  N N 186 
GLY   H    H  N N 187 
GLY   H2   H  N N 188 
GLY   HA2  H  N N 189 
GLY   HA3  H  N N 190 
GLY   HXT  H  N N 191 
GOL   C1   C  N N 192 
GOL   O1   O  N N 193 
GOL   C2   C  N N 194 
GOL   O2   O  N N 195 
GOL   C3   C  N N 196 
GOL   O3   O  N N 197 
GOL   H11  H  N N 198 
GOL   H12  H  N N 199 
GOL   HO1  H  N N 200 
GOL   H2   H  N N 201 
GOL   HO2  H  N N 202 
GOL   H31  H  N N 203 
GOL   H32  H  N N 204 
GOL   HO3  H  N N 205 
HIS   N    N  N N 206 
HIS   CA   C  N S 207 
HIS   C    C  N N 208 
HIS   O    O  N N 209 
HIS   CB   C  N N 210 
HIS   CG   C  Y N 211 
HIS   ND1  N  Y N 212 
HIS   CD2  C  Y N 213 
HIS   CE1  C  Y N 214 
HIS   NE2  N  Y N 215 
HIS   OXT  O  N N 216 
HIS   H    H  N N 217 
HIS   H2   H  N N 218 
HIS   HA   H  N N 219 
HIS   HB2  H  N N 220 
HIS   HB3  H  N N 221 
HIS   HD1  H  N N 222 
HIS   HD2  H  N N 223 
HIS   HE1  H  N N 224 
HIS   HE2  H  N N 225 
HIS   HXT  H  N N 226 
HOH   O    O  N N 227 
HOH   H1   H  N N 228 
HOH   H2   H  N N 229 
ILE   N    N  N N 230 
ILE   CA   C  N S 231 
ILE   C    C  N N 232 
ILE   O    O  N N 233 
ILE   CB   C  N S 234 
ILE   CG1  C  N N 235 
ILE   CG2  C  N N 236 
ILE   CD1  C  N N 237 
ILE   OXT  O  N N 238 
ILE   H    H  N N 239 
ILE   H2   H  N N 240 
ILE   HA   H  N N 241 
ILE   HB   H  N N 242 
ILE   HG12 H  N N 243 
ILE   HG13 H  N N 244 
ILE   HG21 H  N N 245 
ILE   HG22 H  N N 246 
ILE   HG23 H  N N 247 
ILE   HD11 H  N N 248 
ILE   HD12 H  N N 249 
ILE   HD13 H  N N 250 
ILE   HXT  H  N N 251 
LEU   N    N  N N 252 
LEU   CA   C  N S 253 
LEU   C    C  N N 254 
LEU   O    O  N N 255 
LEU   CB   C  N N 256 
LEU   CG   C  N N 257 
LEU   CD1  C  N N 258 
LEU   CD2  C  N N 259 
LEU   OXT  O  N N 260 
LEU   H    H  N N 261 
LEU   H2   H  N N 262 
LEU   HA   H  N N 263 
LEU   HB2  H  N N 264 
LEU   HB3  H  N N 265 
LEU   HG   H  N N 266 
LEU   HD11 H  N N 267 
LEU   HD12 H  N N 268 
LEU   HD13 H  N N 269 
LEU   HD21 H  N N 270 
LEU   HD22 H  N N 271 
LEU   HD23 H  N N 272 
LEU   HXT  H  N N 273 
LYS   N    N  N N 274 
LYS   CA   C  N S 275 
LYS   C    C  N N 276 
LYS   O    O  N N 277 
LYS   CB   C  N N 278 
LYS   CG   C  N N 279 
LYS   CD   C  N N 280 
LYS   CE   C  N N 281 
LYS   NZ   N  N N 282 
LYS   OXT  O  N N 283 
LYS   H    H  N N 284 
LYS   H2   H  N N 285 
LYS   HA   H  N N 286 
LYS   HB2  H  N N 287 
LYS   HB3  H  N N 288 
LYS   HG2  H  N N 289 
LYS   HG3  H  N N 290 
LYS   HD2  H  N N 291 
LYS   HD3  H  N N 292 
LYS   HE2  H  N N 293 
LYS   HE3  H  N N 294 
LYS   HZ1  H  N N 295 
LYS   HZ2  H  N N 296 
LYS   HZ3  H  N N 297 
LYS   HXT  H  N N 298 
MET   N    N  N N 299 
MET   CA   C  N S 300 
MET   C    C  N N 301 
MET   O    O  N N 302 
MET   CB   C  N N 303 
MET   CG   C  N N 304 
MET   SD   S  N N 305 
MET   CE   C  N N 306 
MET   OXT  O  N N 307 
MET   H    H  N N 308 
MET   H2   H  N N 309 
MET   HA   H  N N 310 
MET   HB2  H  N N 311 
MET   HB3  H  N N 312 
MET   HG2  H  N N 313 
MET   HG3  H  N N 314 
MET   HE1  H  N N 315 
MET   HE2  H  N N 316 
MET   HE3  H  N N 317 
MET   HXT  H  N N 318 
PHE   N    N  N N 319 
PHE   CA   C  N S 320 
PHE   C    C  N N 321 
PHE   O    O  N N 322 
PHE   CB   C  N N 323 
PHE   CG   C  Y N 324 
PHE   CD1  C  Y N 325 
PHE   CD2  C  Y N 326 
PHE   CE1  C  Y N 327 
PHE   CE2  C  Y N 328 
PHE   CZ   C  Y N 329 
PHE   OXT  O  N N 330 
PHE   H    H  N N 331 
PHE   H2   H  N N 332 
PHE   HA   H  N N 333 
PHE   HB2  H  N N 334 
PHE   HB3  H  N N 335 
PHE   HD1  H  N N 336 
PHE   HD2  H  N N 337 
PHE   HE1  H  N N 338 
PHE   HE2  H  N N 339 
PHE   HZ   H  N N 340 
PHE   HXT  H  N N 341 
PRO   N    N  N N 342 
PRO   CA   C  N S 343 
PRO   C    C  N N 344 
PRO   O    O  N N 345 
PRO   CB   C  N N 346 
PRO   CG   C  N N 347 
PRO   CD   C  N N 348 
PRO   OXT  O  N N 349 
PRO   H    H  N N 350 
PRO   HA   H  N N 351 
PRO   HB2  H  N N 352 
PRO   HB3  H  N N 353 
PRO   HG2  H  N N 354 
PRO   HG3  H  N N 355 
PRO   HD2  H  N N 356 
PRO   HD3  H  N N 357 
PRO   HXT  H  N N 358 
SER   N    N  N N 359 
SER   CA   C  N S 360 
SER   C    C  N N 361 
SER   O    O  N N 362 
SER   CB   C  N N 363 
SER   OG   O  N N 364 
SER   OXT  O  N N 365 
SER   H    H  N N 366 
SER   H2   H  N N 367 
SER   HA   H  N N 368 
SER   HB2  H  N N 369 
SER   HB3  H  N N 370 
SER   HG   H  N N 371 
SER   HXT  H  N N 372 
THR   N    N  N N 373 
THR   CA   C  N S 374 
THR   C    C  N N 375 
THR   O    O  N N 376 
THR   CB   C  N R 377 
THR   OG1  O  N N 378 
THR   CG2  C  N N 379 
THR   OXT  O  N N 380 
THR   H    H  N N 381 
THR   H2   H  N N 382 
THR   HA   H  N N 383 
THR   HB   H  N N 384 
THR   HG1  H  N N 385 
THR   HG21 H  N N 386 
THR   HG22 H  N N 387 
THR   HG23 H  N N 388 
THR   HXT  H  N N 389 
TRP   N    N  N N 390 
TRP   CA   C  N S 391 
TRP   C    C  N N 392 
TRP   O    O  N N 393 
TRP   CB   C  N N 394 
TRP   CG   C  Y N 395 
TRP   CD1  C  Y N 396 
TRP   CD2  C  Y N 397 
TRP   NE1  N  Y N 398 
TRP   CE2  C  Y N 399 
TRP   CE3  C  Y N 400 
TRP   CZ2  C  Y N 401 
TRP   CZ3  C  Y N 402 
TRP   CH2  C  Y N 403 
TRP   OXT  O  N N 404 
TRP   H    H  N N 405 
TRP   H2   H  N N 406 
TRP   HA   H  N N 407 
TRP   HB2  H  N N 408 
TRP   HB3  H  N N 409 
TRP   HD1  H  N N 410 
TRP   HE1  H  N N 411 
TRP   HE3  H  N N 412 
TRP   HZ2  H  N N 413 
TRP   HZ3  H  N N 414 
TRP   HH2  H  N N 415 
TRP   HXT  H  N N 416 
TYR   N    N  N N 417 
TYR   CA   C  N S 418 
TYR   C    C  N N 419 
TYR   O    O  N N 420 
TYR   CB   C  N N 421 
TYR   CG   C  Y N 422 
TYR   CD1  C  Y N 423 
TYR   CD2  C  Y N 424 
TYR   CE1  C  Y N 425 
TYR   CE2  C  Y N 426 
TYR   CZ   C  Y N 427 
TYR   OH   O  N N 428 
TYR   OXT  O  N N 429 
TYR   H    H  N N 430 
TYR   H2   H  N N 431 
TYR   HA   H  N N 432 
TYR   HB2  H  N N 433 
TYR   HB3  H  N N 434 
TYR   HD1  H  N N 435 
TYR   HD2  H  N N 436 
TYR   HE1  H  N N 437 
TYR   HE2  H  N N 438 
TYR   HH   H  N N 439 
TYR   HXT  H  N N 440 
VAL   N    N  N N 441 
VAL   CA   C  N S 442 
VAL   C    C  N N 443 
VAL   O    O  N N 444 
VAL   CB   C  N N 445 
VAL   CG1  C  N N 446 
VAL   CG2  C  N N 447 
VAL   OXT  O  N N 448 
VAL   H    H  N N 449 
VAL   H2   H  N N 450 
VAL   HA   H  N N 451 
VAL   HB   H  N N 452 
VAL   HG11 H  N N 453 
VAL   HG12 H  N N 454 
VAL   HG13 H  N N 455 
VAL   HG21 H  N N 456 
VAL   HG22 H  N N 457 
VAL   HG23 H  N N 458 
VAL   HXT  H  N N 459 
ZN    ZN   ZN N N 460 
# 
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 
A1AO4 C31 C30  doub Y N 1   
A1AO4 C31 C29  sing Y N 2   
A1AO4 C30 C25  sing Y N 3   
A1AO4 C29 C26  doub Y N 4   
A1AO4 C28 C32  doub Y N 5   
A1AO4 C28 C23  sing Y N 6   
A1AO4 C32 C27  sing Y N 7   
A1AO4 C25 C21  doub Y N 8   
A1AO4 C23 C15  doub Y N 9   
A1AO4 C26 C21  sing Y N 10  
A1AO4 C27 C24  doub Y N 11  
A1AO4 C21 C14  sing N N 12  
A1AO4 C15 C24  sing Y N 13  
A1AO4 C15 C4   sing N N 14  
A1AO4 O12 C3   doub N N 15  
A1AO4 C14 C10  sing N N 16  
A1AO4 C4  C1   sing N N 17  
A1AO4 C4  C2   sing N N 18  
A1AO4 C3  C1   sing N N 19  
A1AO4 C3  O8   sing N N 20  
A1AO4 C1  C7   doub N N 21  
A1AO4 O8  C10  sing N N 22  
A1AO4 C7  C10  sing N N 23  
A1AO4 C7  O17  sing N N 24  
A1AO4 C19 C6   sing N N 25  
A1AO4 C2  C6   doub Y N 26  
A1AO4 C2  N5   sing Y N 27  
A1AO4 C6  C9   sing Y N 28  
A1AO4 N5  C11  sing Y N 29  
A1AO4 C9  C11  doub Y N 30  
A1AO4 C9  C13  sing Y N 31  
A1AO4 C11 C16  sing Y N 32  
A1AO4 C13 C18  doub Y N 33  
A1AO4 C16 C20  doub Y N 34  
A1AO4 C18 C20  sing Y N 35  
A1AO4 C18 F22  sing N N 36  
A1AO4 C4  H1   sing N N 37  
A1AO4 C10 H2   sing N N 38  
A1AO4 C13 H3   sing N N 39  
A1AO4 C20 H4   sing N N 40  
A1AO4 C24 H5   sing N N 41  
A1AO4 C26 H6   sing N N 42  
A1AO4 C28 H7   sing N N 43  
A1AO4 N5  H8   sing N N 44  
A1AO4 C14 H9   sing N N 45  
A1AO4 C14 H10  sing N N 46  
A1AO4 C16 H11  sing N N 47  
A1AO4 O17 H12  sing N N 48  
A1AO4 C19 H13  sing N N 49  
A1AO4 C19 H14  sing N N 50  
A1AO4 C19 H15  sing N N 51  
A1AO4 C23 H16  sing N N 52  
A1AO4 C25 H17  sing N N 53  
A1AO4 C27 H18  sing N N 54  
A1AO4 C29 H19  sing N N 55  
A1AO4 C30 H20  sing N N 56  
A1AO4 C31 H21  sing N N 57  
A1AO4 C32 H22  sing N N 58  
ALA   N   CA   sing N N 59  
ALA   N   H    sing N N 60  
ALA   N   H2   sing N N 61  
ALA   CA  C    sing N N 62  
ALA   CA  CB   sing N N 63  
ALA   CA  HA   sing N N 64  
ALA   C   O    doub N N 65  
ALA   C   OXT  sing N N 66  
ALA   CB  HB1  sing N N 67  
ALA   CB  HB2  sing N N 68  
ALA   CB  HB3  sing N N 69  
ALA   OXT HXT  sing N N 70  
ARG   N   CA   sing N N 71  
ARG   N   H    sing N N 72  
ARG   N   H2   sing N N 73  
ARG   CA  C    sing N N 74  
ARG   CA  CB   sing N N 75  
ARG   CA  HA   sing N N 76  
ARG   C   O    doub N N 77  
ARG   C   OXT  sing N N 78  
ARG   CB  CG   sing N N 79  
ARG   CB  HB2  sing N N 80  
ARG   CB  HB3  sing N N 81  
ARG   CG  CD   sing N N 82  
ARG   CG  HG2  sing N N 83  
ARG   CG  HG3  sing N N 84  
ARG   CD  NE   sing N N 85  
ARG   CD  HD2  sing N N 86  
ARG   CD  HD3  sing N N 87  
ARG   NE  CZ   sing N N 88  
ARG   NE  HE   sing N N 89  
ARG   CZ  NH1  sing N N 90  
ARG   CZ  NH2  doub N N 91  
ARG   NH1 HH11 sing N N 92  
ARG   NH1 HH12 sing N N 93  
ARG   NH2 HH21 sing N N 94  
ARG   NH2 HH22 sing N N 95  
ARG   OXT HXT  sing N N 96  
ASN   N   CA   sing N N 97  
ASN   N   H    sing N N 98  
ASN   N   H2   sing N N 99  
ASN   CA  C    sing N N 100 
ASN   CA  CB   sing N N 101 
ASN   CA  HA   sing N N 102 
ASN   C   O    doub N N 103 
ASN   C   OXT  sing N N 104 
ASN   CB  CG   sing N N 105 
ASN   CB  HB2  sing N N 106 
ASN   CB  HB3  sing N N 107 
ASN   CG  OD1  doub N N 108 
ASN   CG  ND2  sing N N 109 
ASN   ND2 HD21 sing N N 110 
ASN   ND2 HD22 sing N N 111 
ASN   OXT HXT  sing N N 112 
ASP   N   CA   sing N N 113 
ASP   N   H    sing N N 114 
ASP   N   H2   sing N N 115 
ASP   CA  C    sing N N 116 
ASP   CA  CB   sing N N 117 
ASP   CA  HA   sing N N 118 
ASP   C   O    doub N N 119 
ASP   C   OXT  sing N N 120 
ASP   CB  CG   sing N N 121 
ASP   CB  HB2  sing N N 122 
ASP   CB  HB3  sing N N 123 
ASP   CG  OD1  doub N N 124 
ASP   CG  OD2  sing N N 125 
ASP   OD2 HD2  sing N N 126 
ASP   OXT HXT  sing N N 127 
CYS   N   CA   sing N N 128 
CYS   N   H    sing N N 129 
CYS   N   H2   sing N N 130 
CYS   CA  C    sing N N 131 
CYS   CA  CB   sing N N 132 
CYS   CA  HA   sing N N 133 
CYS   C   O    doub N N 134 
CYS   C   OXT  sing N N 135 
CYS   CB  SG   sing N N 136 
CYS   CB  HB2  sing N N 137 
CYS   CB  HB3  sing N N 138 
CYS   SG  HG   sing N N 139 
CYS   OXT HXT  sing N N 140 
GLN   N   CA   sing N N 141 
GLN   N   H    sing N N 142 
GLN   N   H2   sing N N 143 
GLN   CA  C    sing N N 144 
GLN   CA  CB   sing N N 145 
GLN   CA  HA   sing N N 146 
GLN   C   O    doub N N 147 
GLN   C   OXT  sing N N 148 
GLN   CB  CG   sing N N 149 
GLN   CB  HB2  sing N N 150 
GLN   CB  HB3  sing N N 151 
GLN   CG  CD   sing N N 152 
GLN   CG  HG2  sing N N 153 
GLN   CG  HG3  sing N N 154 
GLN   CD  OE1  doub N N 155 
GLN   CD  NE2  sing N N 156 
GLN   NE2 HE21 sing N N 157 
GLN   NE2 HE22 sing N N 158 
GLN   OXT HXT  sing N N 159 
GLU   N   CA   sing N N 160 
GLU   N   H    sing N N 161 
GLU   N   H2   sing N N 162 
GLU   CA  C    sing N N 163 
GLU   CA  CB   sing N N 164 
GLU   CA  HA   sing N N 165 
GLU   C   O    doub N N 166 
GLU   C   OXT  sing N N 167 
GLU   CB  CG   sing N N 168 
GLU   CB  HB2  sing N N 169 
GLU   CB  HB3  sing N N 170 
GLU   CG  CD   sing N N 171 
GLU   CG  HG2  sing N N 172 
GLU   CG  HG3  sing N N 173 
GLU   CD  OE1  doub N N 174 
GLU   CD  OE2  sing N N 175 
GLU   OE2 HE2  sing N N 176 
GLU   OXT HXT  sing N N 177 
GLY   N   CA   sing N N 178 
GLY   N   H    sing N N 179 
GLY   N   H2   sing N N 180 
GLY   CA  C    sing N N 181 
GLY   CA  HA2  sing N N 182 
GLY   CA  HA3  sing N N 183 
GLY   C   O    doub N N 184 
GLY   C   OXT  sing N N 185 
GLY   OXT HXT  sing N N 186 
GOL   C1  O1   sing N N 187 
GOL   C1  C2   sing N N 188 
GOL   C1  H11  sing N N 189 
GOL   C1  H12  sing N N 190 
GOL   O1  HO1  sing N N 191 
GOL   C2  O2   sing N N 192 
GOL   C2  C3   sing N N 193 
GOL   C2  H2   sing N N 194 
GOL   O2  HO2  sing N N 195 
GOL   C3  O3   sing N N 196 
GOL   C3  H31  sing N N 197 
GOL   C3  H32  sing N N 198 
GOL   O3  HO3  sing N N 199 
HIS   N   CA   sing N N 200 
HIS   N   H    sing N N 201 
HIS   N   H2   sing N N 202 
HIS   CA  C    sing N N 203 
HIS   CA  CB   sing N N 204 
HIS   CA  HA   sing N N 205 
HIS   C   O    doub N N 206 
HIS   C   OXT  sing N N 207 
HIS   CB  CG   sing N N 208 
HIS   CB  HB2  sing N N 209 
HIS   CB  HB3  sing N N 210 
HIS   CG  ND1  sing Y N 211 
HIS   CG  CD2  doub Y N 212 
HIS   ND1 CE1  doub Y N 213 
HIS   ND1 HD1  sing N N 214 
HIS   CD2 NE2  sing Y N 215 
HIS   CD2 HD2  sing N N 216 
HIS   CE1 NE2  sing Y N 217 
HIS   CE1 HE1  sing N N 218 
HIS   NE2 HE2  sing N N 219 
HIS   OXT HXT  sing N N 220 
HOH   O   H1   sing N N 221 
HOH   O   H2   sing N N 222 
ILE   N   CA   sing N N 223 
ILE   N   H    sing N N 224 
ILE   N   H2   sing N N 225 
ILE   CA  C    sing N N 226 
ILE   CA  CB   sing N N 227 
ILE   CA  HA   sing N N 228 
ILE   C   O    doub N N 229 
ILE   C   OXT  sing N N 230 
ILE   CB  CG1  sing N N 231 
ILE   CB  CG2  sing N N 232 
ILE   CB  HB   sing N N 233 
ILE   CG1 CD1  sing N N 234 
ILE   CG1 HG12 sing N N 235 
ILE   CG1 HG13 sing N N 236 
ILE   CG2 HG21 sing N N 237 
ILE   CG2 HG22 sing N N 238 
ILE   CG2 HG23 sing N N 239 
ILE   CD1 HD11 sing N N 240 
ILE   CD1 HD12 sing N N 241 
ILE   CD1 HD13 sing N N 242 
ILE   OXT HXT  sing N N 243 
LEU   N   CA   sing N N 244 
LEU   N   H    sing N N 245 
LEU   N   H2   sing N N 246 
LEU   CA  C    sing N N 247 
LEU   CA  CB   sing N N 248 
LEU   CA  HA   sing N N 249 
LEU   C   O    doub N N 250 
LEU   C   OXT  sing N N 251 
LEU   CB  CG   sing N N 252 
LEU   CB  HB2  sing N N 253 
LEU   CB  HB3  sing N N 254 
LEU   CG  CD1  sing N N 255 
LEU   CG  CD2  sing N N 256 
LEU   CG  HG   sing N N 257 
LEU   CD1 HD11 sing N N 258 
LEU   CD1 HD12 sing N N 259 
LEU   CD1 HD13 sing N N 260 
LEU   CD2 HD21 sing N N 261 
LEU   CD2 HD22 sing N N 262 
LEU   CD2 HD23 sing N N 263 
LEU   OXT HXT  sing N N 264 
LYS   N   CA   sing N N 265 
LYS   N   H    sing N N 266 
LYS   N   H2   sing N N 267 
LYS   CA  C    sing N N 268 
LYS   CA  CB   sing N N 269 
LYS   CA  HA   sing N N 270 
LYS   C   O    doub N N 271 
LYS   C   OXT  sing N N 272 
LYS   CB  CG   sing N N 273 
LYS   CB  HB2  sing N N 274 
LYS   CB  HB3  sing N N 275 
LYS   CG  CD   sing N N 276 
LYS   CG  HG2  sing N N 277 
LYS   CG  HG3  sing N N 278 
LYS   CD  CE   sing N N 279 
LYS   CD  HD2  sing N N 280 
LYS   CD  HD3  sing N N 281 
LYS   CE  NZ   sing N N 282 
LYS   CE  HE2  sing N N 283 
LYS   CE  HE3  sing N N 284 
LYS   NZ  HZ1  sing N N 285 
LYS   NZ  HZ2  sing N N 286 
LYS   NZ  HZ3  sing N N 287 
LYS   OXT HXT  sing N N 288 
MET   N   CA   sing N N 289 
MET   N   H    sing N N 290 
MET   N   H2   sing N N 291 
MET   CA  C    sing N N 292 
MET   CA  CB   sing N N 293 
MET   CA  HA   sing N N 294 
MET   C   O    doub N N 295 
MET   C   OXT  sing N N 296 
MET   CB  CG   sing N N 297 
MET   CB  HB2  sing N N 298 
MET   CB  HB3  sing N N 299 
MET   CG  SD   sing N N 300 
MET   CG  HG2  sing N N 301 
MET   CG  HG3  sing N N 302 
MET   SD  CE   sing N N 303 
MET   CE  HE1  sing N N 304 
MET   CE  HE2  sing N N 305 
MET   CE  HE3  sing N N 306 
MET   OXT HXT  sing N N 307 
PHE   N   CA   sing N N 308 
PHE   N   H    sing N N 309 
PHE   N   H2   sing N N 310 
PHE   CA  C    sing N N 311 
PHE   CA  CB   sing N N 312 
PHE   CA  HA   sing N N 313 
PHE   C   O    doub N N 314 
PHE   C   OXT  sing N N 315 
PHE   CB  CG   sing N N 316 
PHE   CB  HB2  sing N N 317 
PHE   CB  HB3  sing N N 318 
PHE   CG  CD1  doub Y N 319 
PHE   CG  CD2  sing Y N 320 
PHE   CD1 CE1  sing Y N 321 
PHE   CD1 HD1  sing N N 322 
PHE   CD2 CE2  doub Y N 323 
PHE   CD2 HD2  sing N N 324 
PHE   CE1 CZ   doub Y N 325 
PHE   CE1 HE1  sing N N 326 
PHE   CE2 CZ   sing Y N 327 
PHE   CE2 HE2  sing N N 328 
PHE   CZ  HZ   sing N N 329 
PHE   OXT HXT  sing N N 330 
PRO   N   CA   sing N N 331 
PRO   N   CD   sing N N 332 
PRO   N   H    sing N N 333 
PRO   CA  C    sing N N 334 
PRO   CA  CB   sing N N 335 
PRO   CA  HA   sing N N 336 
PRO   C   O    doub N N 337 
PRO   C   OXT  sing N N 338 
PRO   CB  CG   sing N N 339 
PRO   CB  HB2  sing N N 340 
PRO   CB  HB3  sing N N 341 
PRO   CG  CD   sing N N 342 
PRO   CG  HG2  sing N N 343 
PRO   CG  HG3  sing N N 344 
PRO   CD  HD2  sing N N 345 
PRO   CD  HD3  sing N N 346 
PRO   OXT HXT  sing N N 347 
SER   N   CA   sing N N 348 
SER   N   H    sing N N 349 
SER   N   H2   sing N N 350 
SER   CA  C    sing N N 351 
SER   CA  CB   sing N N 352 
SER   CA  HA   sing N N 353 
SER   C   O    doub N N 354 
SER   C   OXT  sing N N 355 
SER   CB  OG   sing N N 356 
SER   CB  HB2  sing N N 357 
SER   CB  HB3  sing N N 358 
SER   OG  HG   sing N N 359 
SER   OXT HXT  sing N N 360 
THR   N   CA   sing N N 361 
THR   N   H    sing N N 362 
THR   N   H2   sing N N 363 
THR   CA  C    sing N N 364 
THR   CA  CB   sing N N 365 
THR   CA  HA   sing N N 366 
THR   C   O    doub N N 367 
THR   C   OXT  sing N N 368 
THR   CB  OG1  sing N N 369 
THR   CB  CG2  sing N N 370 
THR   CB  HB   sing N N 371 
THR   OG1 HG1  sing N N 372 
THR   CG2 HG21 sing N N 373 
THR   CG2 HG22 sing N N 374 
THR   CG2 HG23 sing N N 375 
THR   OXT HXT  sing N N 376 
TRP   N   CA   sing N N 377 
TRP   N   H    sing N N 378 
TRP   N   H2   sing N N 379 
TRP   CA  C    sing N N 380 
TRP   CA  CB   sing N N 381 
TRP   CA  HA   sing N N 382 
TRP   C   O    doub N N 383 
TRP   C   OXT  sing N N 384 
TRP   CB  CG   sing N N 385 
TRP   CB  HB2  sing N N 386 
TRP   CB  HB3  sing N N 387 
TRP   CG  CD1  doub Y N 388 
TRP   CG  CD2  sing Y N 389 
TRP   CD1 NE1  sing Y N 390 
TRP   CD1 HD1  sing N N 391 
TRP   CD2 CE2  doub Y N 392 
TRP   CD2 CE3  sing Y N 393 
TRP   NE1 CE2  sing Y N 394 
TRP   NE1 HE1  sing N N 395 
TRP   CE2 CZ2  sing Y N 396 
TRP   CE3 CZ3  doub Y N 397 
TRP   CE3 HE3  sing N N 398 
TRP   CZ2 CH2  doub Y N 399 
TRP   CZ2 HZ2  sing N N 400 
TRP   CZ3 CH2  sing Y N 401 
TRP   CZ3 HZ3  sing N N 402 
TRP   CH2 HH2  sing N N 403 
TRP   OXT HXT  sing N N 404 
TYR   N   CA   sing N N 405 
TYR   N   H    sing N N 406 
TYR   N   H2   sing N N 407 
TYR   CA  C    sing N N 408 
TYR   CA  CB   sing N N 409 
TYR   CA  HA   sing N N 410 
TYR   C   O    doub N N 411 
TYR   C   OXT  sing N N 412 
TYR   CB  CG   sing N N 413 
TYR   CB  HB2  sing N N 414 
TYR   CB  HB3  sing N N 415 
TYR   CG  CD1  doub Y N 416 
TYR   CG  CD2  sing Y N 417 
TYR   CD1 CE1  sing Y N 418 
TYR   CD1 HD1  sing N N 419 
TYR   CD2 CE2  doub Y N 420 
TYR   CD2 HD2  sing N N 421 
TYR   CE1 CZ   doub Y N 422 
TYR   CE1 HE1  sing N N 423 
TYR   CE2 CZ   sing Y N 424 
TYR   CE2 HE2  sing N N 425 
TYR   CZ  OH   sing N N 426 
TYR   OH  HH   sing N N 427 
TYR   OXT HXT  sing N N 428 
VAL   N   CA   sing N N 429 
VAL   N   H    sing N N 430 
VAL   N   H2   sing N N 431 
VAL   CA  C    sing N N 432 
VAL   CA  CB   sing N N 433 
VAL   CA  HA   sing N N 434 
VAL   C   O    doub N N 435 
VAL   C   OXT  sing N N 436 
VAL   CB  CG1  sing N N 437 
VAL   CB  CG2  sing N N 438 
VAL   CB  HB   sing N N 439 
VAL   CG1 HG11 sing N N 440 
VAL   CG1 HG12 sing N N 441 
VAL   CG1 HG13 sing N N 442 
VAL   CG2 HG21 sing N N 443 
VAL   CG2 HG22 sing N N 444 
VAL   CG2 HG23 sing N N 445 
VAL   OXT HXT  sing N N 446 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                Switzerland 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_deposit_group.group_id            G_1002292 
_pdbx_deposit_group.group_description   'A set of chymase crystal structures for D3R plus two CatG off-target structures' 
_pdbx_deposit_group.group_title         'A set of chymase crystal structures for D3R plus two CatG off-target structures' 
_pdbx_deposit_group.group_type          undefined 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      Other 
_pdbx_initial_refinement_model.accession_code   ? 
_pdbx_initial_refinement_model.details          'apo structure' 
# 
_atom_sites.entry_id                    7H68 
_atom_sites.fract_transf_matrix[1][1]   0.013587 
_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]   0.013587 
_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]   0.020625 
_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 
C  
CL 
F  
H  
N  
O  
S  
ZN 
# 
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    . ILE   A 1 1   ? 57.670 7.014   4.429   1.00 9.59  ?  1   ILE   A N    1 
ATOM   2    C  CA   . ILE   A 1 1   ? 58.094 7.945   5.513   1.00 9.95  ?  1   ILE   A CA   1 
ATOM   3    C  C    . ILE   A 1 1   ? 59.405 7.430   6.085   1.00 10.46 ?  1   ILE   A C    1 
ATOM   4    O  O    . ILE   A 1 1   ? 59.488 6.282   6.524   1.00 10.78 ?  1   ILE   A O    1 
ATOM   5    C  CB   . ILE   A 1 1   ? 57.040 8.022   6.642   1.00 10.31 ?  1   ILE   A CB   1 
ATOM   6    C  CG1  . ILE   A 1 1   ? 55.666 8.489   6.122   1.00 10.28 ?  1   ILE   A CG1  1 
ATOM   7    C  CG2  . ILE   A 1 1   ? 57.529 8.879   7.804   1.00 11.46 ?  1   ILE   A CG2  1 
ATOM   8    C  CD1  . ILE   A 1 1   ? 55.587 9.937   5.686   1.00 10.31 ?  1   ILE   A CD1  1 
ATOM   9    H  H1   . ILE   A 1 1   ? 56.883 6.527   4.686   1.00 9.83  ?  1   ILE   A H1   1 
ATOM   10   H  H2   . ILE   A 1 1   ? 57.492 7.519   3.634   1.00 9.58  ?  1   ILE   A H2   1 
ATOM   11   H  H3   . ILE   A 1 1   ? 58.373 6.386   4.245   1.00 9.68  ?  1   ILE   A H3   1 
ATOM   12   H  HA   . ILE   A 1 1   ? 58.229 8.843   5.145   1.00 10.04 ?  1   ILE   A HA   1 
ATOM   13   H  HB   . ILE   A 1 1   ? 56.925 7.122   6.984   1.00 10.29 ?  1   ILE   A HB   1 
ATOM   14   H  HG12 . ILE   A 1 1   ? 55.405 7.945   5.365   1.00 10.15 ?  1   ILE   A HG12 1 
ATOM   15   H  HG13 . ILE   A 1 1   ? 55.019 8.372   6.836   1.00 10.37 ?  1   ILE   A HG13 1 
ATOM   16   H  HG21 . ILE   A 1 1   ? 58.199 8.398   8.298   1.00 11.30 ?  1   ILE   A HG21 1 
ATOM   17   H  HG22 . ILE   A 1 1   ? 56.784 9.077   8.378   1.00 11.46 ?  1   ILE   A HG22 1 
ATOM   18   H  HG23 . ILE   A 1 1   ? 57.899 9.695   7.455   1.00 11.05 ?  1   ILE   A HG23 1 
ATOM   19   H  HD11 . ILE   A 1 1   ? 55.743 10.505  6.444   1.00 10.33 ?  1   ILE   A HD11 1 
ATOM   20   H  HD12 . ILE   A 1 1   ? 54.712 10.104  5.328   1.00 10.28 ?  1   ILE   A HD12 1 
ATOM   21   H  HD13 . ILE   A 1 1   ? 56.251 10.099  5.012   1.00 10.44 ?  1   ILE   A HD13 1 
ATOM   22   N  N    . ILE   A 1 2   ? 60.428 8.281   6.047   1.00 9.98  ?  2   ILE   A N    1 
ATOM   23   C  CA   . ILE   A 1 2   ? 61.745 7.967   6.606   1.00 10.89 ?  2   ILE   A CA   1 
ATOM   24   C  C    . ILE   A 1 2   ? 61.897 8.652   7.951   1.00 9.97  ?  2   ILE   A C    1 
ATOM   25   O  O    . ILE   A 1 2   ? 61.591 9.820   8.111   1.00 10.76 ?  2   ILE   A O    1 
ATOM   26   C  CB   . ILE   A 1 2   ? 62.860 8.409   5.649   1.00 12.02 ?  2   ILE   A CB   1 
ATOM   27   C  CG1  . ILE   A 1 2   ? 62.704 7.667   4.294   1.00 13.63 ?  2   ILE   A CG1  1 
ATOM   28   C  CG2  . ILE   A 1 2   ? 64.236 8.185   6.279   1.00 12.88 ?  2   ILE   A CG2  1 
ATOM   29   C  CD1  . ILE   A 1 2   ? 63.583 8.197   3.208   1.00 16.51 ?  2   ILE   A CD1  1 
ATOM   30   H  H    . ILE   A 1 2   ? 60.388 9.066   5.697   1.00 10.01 ?  2   ILE   A H    1 
ATOM   31   H  HA   . ILE   A 1 2   ? 61.831 6.999   6.732   1.00 10.86 ?  2   ILE   A HA   1 
ATOM   32   H  HB   . ILE   A 1 2   ? 62.756 9.359   5.485   1.00 11.95 ?  2   ILE   A HB   1 
ATOM   33   H  HG12 . ILE   A 1 2   ? 62.935 6.737   4.425   1.00 13.46 ?  2   ILE   A HG12 1 
ATOM   34   H  HG13 . ILE   A 1 2   ? 61.787 7.740   3.990   1.00 13.17 ?  2   ILE   A HG13 1 
ATOM   35   H  HG21 . ILE   A 1 2   ? 64.349 8.781   7.023   1.00 12.74 ?  2   ILE   A HG21 1 
ATOM   36   H  HG22 . ILE   A 1 2   ? 64.917 8.361   5.626   1.00 12.98 ?  2   ILE   A HG22 1 
ATOM   37   H  HG23 . ILE   A 1 2   ? 64.297 7.274   6.576   1.00 12.75 ?  2   ILE   A HG23 1 
ATOM   38   H  HD11 . ILE   A 1 2   ? 63.442 9.145   3.142   1.00 15.75 ?  2   ILE   A HD11 1 
ATOM   39   H  HD12 . ILE   A 1 2   ? 63.346 7.771   2.381   1.00 15.62 ?  2   ILE   A HD12 1 
ATOM   40   H  HD13 . ILE   A 1 2   ? 64.500 8.012   3.421   1.00 15.54 ?  2   ILE   A HD13 1 
ATOM   41   N  N    . GLY   A 1 3   ? 62.343 7.861   8.926   1.00 11.45 ?  3   GLY   A N    1 
ATOM   42   C  CA   . GLY   A 1 3   ? 62.677 8.394   10.231  1.00 12.92 ?  3   GLY   A CA   1 
ATOM   43   C  C    . GLY   A 1 3   ? 61.476 8.734   11.074  1.00 12.60 ?  3   GLY   A C    1 
ATOM   44   O  O    . GLY   A 1 3   ? 61.575 9.489   12.034  1.00 14.50 ?  3   GLY   A O    1 
ATOM   45   H  H    . GLY   A 1 3   ? 62.460 7.012   8.857   1.00 11.32 ?  3   GLY   A H    1 
ATOM   46   H  HA2  . GLY   A 1 3   ? 63.207 7.739   10.713  1.00 12.23 ?  3   GLY   A HA2  1 
ATOM   47   H  HA3  . GLY   A 1 3   ? 63.213 9.196   10.126  1.00 12.56 ?  3   GLY   A HA3  1 
ATOM   48   N  N    . GLY   A 1 4   ? 60.322 8.142   10.756  1.00 11.51 ?  4   GLY   A N    1 
ATOM   49   C  CA   . GLY   A 1 4   ? 59.113 8.418   11.498  1.00 12.35 ?  4   GLY   A CA   1 
ATOM   50   C  C    . GLY   A 1 4   ? 58.769 7.344   12.510  1.00 12.87 ?  4   GLY   A C    1 
ATOM   51   O  O    . GLY   A 1 4   ? 59.607 6.507   12.885  1.00 13.88 ?  4   GLY   A O    1 
ATOM   52   H  H    . GLY   A 1 4   ? 60.217 7.575   10.118  1.00 12.27 ?  4   GLY   A H    1 
ATOM   53   H  HA2  . GLY   A 1 4   ? 59.180 9.268   11.961  1.00 12.66 ?  4   GLY   A HA2  1 
ATOM   54   H  HA3  . GLY   A 1 4   ? 58.379 8.479   10.868  1.00 11.84 ?  4   GLY   A HA3  1 
ATOM   55   N  N    . THR   A 1 5   ? 57.512 7.354   12.921  1.00 11.73 ?  5   THR   A N    1 
ATOM   56   C  CA   . THR   A 1 5   ? 56.983 6.425   13.893  1.00 12.92 ?  5   THR   A CA   1 
ATOM   57   C  C    . THR   A 1 5   ? 55.729 5.798   13.302  1.00 11.97 ?  5   THR   A C    1 
ATOM   58   O  O    . THR   A 1 5   ? 55.071 6.396   12.463  1.00 12.12 ?  5   THR   A O    1 
ATOM   59   C  CB   . THR   A 1 5   ? 56.592 7.176   15.187  1.00 15.09 ?  5   THR   A CB   1 
ATOM   60   O  OG1  . THR   A 1 5   ? 55.656 8.228   14.899  1.00 18.57 ?  5   THR   A OG1  1 
ATOM   61   C  CG2  . THR   A 1 5   ? 57.832 7.758   15.857  1.00 17.38 ?  5   THR   A CG2  1 
ATOM   62   H  H    . THR   A 1 5   ? 56.925 7.919   12.641  1.00 12.20 ?  5   THR   A H    1 
ATOM   63   H  HA   . THR   A 1 5   ? 57.628 5.719   14.108  1.00 13.48 ?  5   THR   A HA   1 
ATOM   64   H  HB   . THR   A 1 5   ? 56.183 6.549   15.805  1.00 14.67 ?  5   THR   A HB   1 
ATOM   65   H  HG1  . THR   A 1 5   ? 55.466 8.608   15.593  0.00 17.05 ?  5   THR   A HG1  1 
ATOM   66   H  HG21 . THR   A 1 5   ? 58.464 7.059   16.041  1.00 17.19 ?  5   THR   A HG21 1 
ATOM   67   H  HG22 . THR   A 1 5   ? 57.589 8.183   16.682  1.00 17.20 ?  5   THR   A HG22 1 
ATOM   68   H  HG23 . THR   A 1 5   ? 58.244 8.407   15.282  1.00 16.96 ?  5   THR   A HG23 1 
ATOM   69   N  N    . GLU   A 1 6   ? 55.370 4.617   13.775  1.00 11.60 ?  6   GLU   A N    1 
ATOM   70   C  CA   . GLU   A 1 6   ? 54.106 4.005   13.394  1.00 11.21 ?  6   GLU   A CA   1 
ATOM   71   C  C    . GLU   A 1 6   ? 52.972 4.855   13.952  1.00 10.84 ?  6   GLU   A C    1 
ATOM   72   O  O    . GLU   A 1 6   ? 52.979 5.221   15.133  1.00 12.00 ?  6   GLU   A O    1 
ATOM   73   C  CB   . GLU   A 1 6   ? 54.032 2.589   13.930  1.00 11.38 ?  6   GLU   A CB   1 
ATOM   74   C  CG   . GLU   A 1 6   ? 52.785 1.848   13.475  1.00 12.92 ?  6   GLU   A CG   1 
ATOM   75   C  CD   . GLU   A 1 6   ? 52.730 0.417   13.948  1.00 14.71 ?  6   GLU   A CD   1 
ATOM   76   O  OE1  . GLU   A 1 6   ? 53.729 -0.087  14.495  1.00 18.88 ?  6   GLU   A OE1  1 
ATOM   77   O  OE2  . GLU   A 1 6   ? 51.673 -0.219  13.761  1.00 14.45 ?  6   GLU   A OE2  1 
ATOM   78   H  H    . GLU   A 1 6   ? 55.842 4.149   14.321  1.00 10.47 ?  6   GLU   A H    1 
ATOM   79   H  HA   . GLU   A 1 6   ? 54.033 3.972   12.417  1.00 11.27 ?  6   GLU   A HA   1 
ATOM   80   H  HB2  . GLU   A 1 6   ? 54.807 2.098   13.615  1.00 12.28 ?  6   GLU   A HB2  1 
ATOM   81   H  HB3  . GLU   A 1 6   ? 54.027 2.618   14.899  1.00 11.71 ?  6   GLU   A HB3  1 
ATOM   82   H  HG2  . GLU   A 1 6   ? 52.000 2.297   13.823  1.00 13.27 ?  6   GLU   A HG2  1 
ATOM   83   H  HG3  . GLU   A 1 6   ? 52.759 1.843   12.505  1.00 13.07 ?  6   GLU   A HG3  1 
ATOM   84   N  N    . SER   A 1 7   ? 51.984 5.192   13.120  1.00 10.27 ?  7   SER   A N    1 
ATOM   85   C  CA   . SER   A 1 7   ? 50.826 5.931   13.583  1.00 10.47 ?  7   SER   A CA   1 
ATOM   86   C  C    . SER   A 1 7   ? 50.028 5.038   14.545  1.00 10.16 ?  7   SER   A C    1 
ATOM   87   O  O    . SER   A 1 7   ? 50.006 3.810   14.416  1.00 11.04 ?  7   SER   A O    1 
ATOM   88   C  CB   . SER   A 1 7   ? 49.926 6.319   12.400  1.00 10.13 ?  7   SER   A CB   1 
ATOM   89   O  OG   . SER   A 1 7   ? 50.596 7.187   11.512  1.00 10.46 ?  7   SER   A OG   1 
ATOM   90   H  H    . SER   A 1 7   ? 51.969 4.999   12.282  1.00 10.63 ?  7   SER   A H    1 
ATOM   91   H  HA   . SER   A 1 7   ? 51.108 6.745   14.051  1.00 10.46 ?  7   SER   A HA   1 
ATOM   92   H  HB2  . SER   A 1 7   ? 49.670 5.515   11.922  1.00 10.30 ?  7   SER   A HB2  1 
ATOM   93   H  HB3  . SER   A 1 7   ? 49.135 6.767   12.740  1.00 10.56 ?  7   SER   A HB3  1 
ATOM   94   H  HG   . SER   A 1 7   ? 50.097 7.381   10.884  0.00 10.63 ?  7   SER   A HG   1 
ATOM   95   N  N    . LYS   A 1 8   ? 49.371 5.685   15.504  1.00 11.00 ?  8   LYS   A N    1 
ATOM   96   C  CA   . LYS   A 1 8   ? 48.347 4.997   16.274  1.00 11.10 ?  8   LYS   A CA   1 
ATOM   97   C  C    . LYS   A 1 8   ? 47.296 4.504   15.264  1.00 10.54 ?  8   LYS   A C    1 
ATOM   98   O  O    . LYS   A 1 8   ? 46.811 5.288   14.464  1.00 9.99  ?  8   LYS   A O    1 
ATOM   99   C  CB   . LYS   A 1 8   ? 47.718 5.938   17.291  1.00 13.34 ?  8   LYS   A CB   1 
ATOM   100  C  CG   . LYS   A 1 8   ? 46.587 5.334   18.104  1.00 16.21 ?  8   LYS   A CG   1 
ATOM   101  C  CD   . LYS   A 1 8   ? 46.040 6.373   19.090  1.00 18.98 ?  8   LYS   A CD   1 
ATOM   102  C  CE   . LYS   A 1 8   ? 45.163 5.746   20.165  1.00 24.94 ?  8   LYS   A CE   1 
ATOM   103  N  NZ   . LYS   A 1 8   ? 43.997 5.039   19.594  1.00 26.98 ?  8   LYS   A NZ   1 
ATOM   104  H  H    . LYS   A 1 8   ? 49.499 6.507   15.722  1.00 10.92 ?  8   LYS   A H    1 
ATOM   105  H  HA   . LYS   A 1 8   ? 48.746 4.243   16.753  1.00 11.28 ?  8   LYS   A HA   1 
ATOM   106  H  HB2  . LYS   A 1 8   ? 48.406 6.222   17.912  1.00 13.25 ?  8   LYS   A HB2  1 
ATOM   107  H  HB3  . LYS   A 1 8   ? 47.366 6.710   16.822  1.00 13.25 ?  8   LYS   A HB3  1 
ATOM   108  H  HG2  . LYS   A 1 8   ? 45.864 5.064   17.518  1.00 16.08 ?  8   LYS   A HG2  1 
ATOM   109  H  HG3  . LYS   A 1 8   ? 46.919 4.575   18.609  1.00 16.04 ?  8   LYS   A HG3  1 
ATOM   110  H  HD2  . LYS   A 1 8   ? 46.782 6.817   19.530  1.00 18.47 ?  8   LYS   A HD2  1 
ATOM   111  H  HD3  . LYS   A 1 8   ? 45.507 7.020   18.604  1.00 19.72 ?  8   LYS   A HD3  1 
ATOM   112  H  HE2  . LYS   A 1 8   ? 45.688 5.105   20.669  1.00 24.93 ?  8   LYS   A HE2  1 
ATOM   113  H  HE3  . LYS   A 1 8   ? 44.835 6.444   20.754  1.00 24.54 ?  8   LYS   A HE3  1 
ATOM   114  H  HZ1  . LYS   A 1 8   ? 43.517 5.624   19.003  1.00 26.76 ?  8   LYS   A HZ1  1 
ATOM   115  H  HZ2  . LYS   A 1 8   ? 43.409 4.760   20.300  1.00 26.32 ?  8   LYS   A HZ2  1 
ATOM   116  H  HZ3  . LYS   A 1 8   ? 44.282 4.264   19.104  1.00 24.90 ?  8   LYS   A HZ3  1 
ATOM   117  N  N    . PRO   A 1 9   ? 46.940 3.215   15.306  1.00 10.59 ?  9   PRO   A N    1 
ATOM   118  C  CA   . PRO   A 1 9   ? 46.042 2.712   14.251  1.00 9.72  ?  9   PRO   A CA   1 
ATOM   119  C  C    . PRO   A 1 9   ? 44.741 3.487   14.177  1.00 9.76  ?  9   PRO   A C    1 
ATOM   120  O  O    . PRO   A 1 9   ? 44.089 3.709   15.192  1.00 10.65 ?  9   PRO   A O    1 
ATOM   121  C  CB   . PRO   A 1 9   ? 45.821 1.248   14.661  1.00 10.96 ?  9   PRO   A CB   1 
ATOM   122  C  CG   . PRO   A 1 9   ? 47.111 0.878   15.353  1.00 12.28 ?  9   PRO   A CG   1 
ATOM   123  C  CD   . PRO   A 1 9   ? 47.493 2.116   16.122  1.00 11.46 ?  9   PRO   A CD   1 
ATOM   124  H  HA   . PRO   A 1 9   ? 46.494 2.739   13.383  1.00 9.94  ?  9   PRO   A HA   1 
ATOM   125  H  HB2  . PRO   A 1 9   ? 45.069 1.181   15.271  1.00 10.95 ?  9   PRO   A HB2  1 
ATOM   126  H  HB3  . PRO   A 1 9   ? 45.680 0.701   13.873  1.00 11.00 ?  9   PRO   A HB3  1 
ATOM   127  H  HG2  . PRO   A 1 9   ? 46.959 0.132   15.955  1.00 11.49 ?  9   PRO   A HG2  1 
ATOM   128  H  HG3  . PRO   A 1 9   ? 47.789 0.659   14.697  1.00 11.85 ?  9   PRO   A HG3  1 
ATOM   129  H  HD2  . PRO   A 1 9   ? 47.086 2.109   17.002  1.00 11.28 ?  9   PRO   A HD2  1 
ATOM   130  H  HD3  . PRO   A 1 9   ? 48.459 2.179   16.177  1.00 11.32 ?  9   PRO   A HD3  1 
ATOM   131  N  N    . HIS   A 1 10  ? 44.361 3.883   12.968  1.00 8.64  ?  10  HIS   A N    1 
ATOM   132  C  CA   . HIS   A 1 10  ? 43.093 4.559   12.687  1.00 8.78  ?  10  HIS   A CA   1 
ATOM   133  C  C    . HIS   A 1 10  ? 42.988 5.945   13.272  1.00 8.88  ?  10  HIS   A C    1 
ATOM   134  O  O    . HIS   A 1 10  ? 41.955 6.563   13.229  1.00 9.96  ?  10  HIS   A O    1 
ATOM   135  C  CB   . HIS   A 1 10  ? 41.876 3.687   13.071  1.00 8.73  ?  10  HIS   A CB   1 
ATOM   136  C  CG   . HIS   A 1 10  ? 41.998 2.286   12.585  1.00 9.73  ?  10  HIS   A CG   1 
ATOM   137  N  ND1  . HIS   A 1 10  ? 42.095 1.975   11.249  1.00 8.99  ?  10  HIS   A ND1  1 
ATOM   138  C  CD2  . HIS   A 1 10  ? 42.030 1.108   13.248  1.00 9.84  ?  10  HIS   A CD2  1 
ATOM   139  C  CE1  . HIS   A 1 10  ? 42.238 0.670   11.117  1.00 9.09  ?  10  HIS   A CE1  1 
ATOM   140  N  NE2  . HIS   A 1 10  ? 42.196 0.130   12.310  1.00 9.71  ?  10  HIS   A NE2  1 
ATOM   141  H  H    . HIS   A 1 10  ? 44.837 3.770   12.261  1.00 8.80  ?  10  HIS   A H    1 
ATOM   142  H  HA   . HIS   A 1 10  ? 43.048 4.678   11.718  1.00 8.80  ?  10  HIS   A HA   1 
ATOM   143  H  HB2  . HIS   A 1 10  ? 41.786 3.665   14.037  1.00 8.90  ?  10  HIS   A HB2  1 
ATOM   144  H  HB3  . HIS   A 1 10  ? 41.077 4.070   12.675  1.00 9.05  ?  10  HIS   A HB3  1 
ATOM   145  H  HD1  . HIS   A 1 10  ? 42.114 2.546   10.605  1.00 8.82  ?  10  HIS   A HD1  1 
ATOM   146  H  HD2  . HIS   A 1 10  ? 41.996 0.995   14.170  1.00 9.59  ?  10  HIS   A HD2  1 
ATOM   147  H  HE1  . HIS   A 1 10  ? 42.316 0.209   10.315  1.00 9.34  ?  10  HIS   A HE1  1 
ATOM   148  H  HE2  . HIS   A 1 10  ? 42.241 -0.696  12.471  1.00 9.32  ?  10  HIS   A HE2  1 
ATOM   149  N  N    . SER   A 1 11  ? 44.118 6.508   13.703  1.00 9.14  ?  11  SER   A N    1 
ATOM   150  C  CA   . SER   A 1 11  ? 44.136 7.846   14.288  1.00 9.44  ?  11  SER   A CA   1 
ATOM   151  C  C    . SER   A 1 11  ? 44.108 8.974   13.260  1.00 9.28  ?  11  SER   A C    1 
ATOM   152  O  O    . SER   A 1 11  ? 43.885 10.123  13.634  1.00 10.18 ?  11  SER   A O    1 
ATOM   153  C  CB   . SER   A 1 11  ? 45.390 8.027   15.160  1.00 10.29 ?  11  SER   A CB   1 
ATOM   154  O  OG   . SER   A 1 11  ? 46.581 7.926   14.400  1.00 11.08 ?  11  SER   A OG   1 
ATOM   155  H  H    . SER   A 1 11  ? 44.895 6.146   13.657  1.00 9.30  ?  11  SER   A H    1 
ATOM   156  H  HA   . SER   A 1 11  ? 43.356 7.953   14.871  1.00 9.45  ?  11  SER   A HA   1 
ATOM   157  H  HB2  . SER   A 1 11  ? 45.358 8.903   15.576  1.00 10.00 ?  11  SER   A HB2  1 
ATOM   158  H  HB3  . SER   A 1 11  ? 45.393 7.339   15.843  1.00 10.55 ?  11  SER   A HB3  1 
ATOM   159  H  HG   . SER   A 1 11  ? 47.229 8.032   14.877  0.00 11.02 ?  11  SER   A HG   1 
ATOM   160  N  N    . ARG   A 1 12  ? 44.257 8.631   11.972  1.00 8.70  ?  12  ARG   A N    1 
ATOM   161  C  CA   . ARG   A 1 12  ? 44.173 9.593   10.881  1.00 9.50  ?  12  ARG   A CA   1 
ATOM   162  C  C    . ARG   A 1 12  ? 43.145 9.059   9.904   1.00 8.58  ?  12  ARG   A C    1 
ATOM   163  O  O    . ARG   A 1 12  ? 43.488 8.542   8.818   1.00 8.44  ?  12  ARG   A O    1 
ATOM   164  C  CB   . ARG   A 1 12  ? 45.546 9.783   10.255  1.00 9.39  ?  12  ARG   A CB   1 
ATOM   165  C  CG   . ARG   A 1 12  ? 46.556 10.372  11.227  1.00 10.09 ?  12  ARG   A CG   1 
ATOM   166  C  CD   . ARG   A 1 12  ? 47.870 10.652  10.522  1.00 11.53 ?  12  ARG   A CD   1 
ATOM   167  N  NE   . ARG   A 1 12  ? 48.828 11.276  11.442  1.00 11.82 ?  12  ARG   A NE   1 
ATOM   168  C  CZ   . ARG   A 1 12  ? 48.821 12.558  11.758  1.00 12.50 ?  12  ARG   A CZ   1 
ATOM   169  N  NH1  . ARG   A 1 12  ? 48.000 13.420  11.171  1.00 13.01 ?  12  ARG   A NH1  1 
ATOM   170  N  NH2  . ARG   A 1 12  ? 49.701 13.000  12.646  1.00 14.15 ?  12  ARG   A NH2  1 
ATOM   171  H  H    . ARG   A 1 12  ? 44.423 7.833   11.701  1.00 8.90  ?  12  ARG   A H    1 
ATOM   172  H  HA   . ARG   A 1 12  ? 43.872 10.465  11.208  1.00 9.44  ?  12  ARG   A HA   1 
ATOM   173  H  HB2  . ARG   A 1 12  ? 45.882 8.923   9.958   1.00 9.48  ?  12  ARG   A HB2  1 
ATOM   174  H  HB3  . ARG   A 1 12  ? 45.468 10.389  9.502   1.00 9.57  ?  12  ARG   A HB3  1 
ATOM   175  H  HG2  . ARG   A 1 12  ? 46.214 11.207  11.582  1.00 10.37 ?  12  ARG   A HG2  1 
ATOM   176  H  HG3  . ARG   A 1 12  ? 46.722 9.741   11.945  1.00 10.04 ?  12  ARG   A HG3  1 
ATOM   177  H  HD2  . ARG   A 1 12  ? 48.250 9.811   10.224  1.00 11.38 ?  12  ARG   A HD2  1 
ATOM   178  H  HD3  . ARG   A 1 12  ? 47.722 11.234  9.761   1.00 11.66 ?  12  ARG   A HD3  1 
ATOM   179  H  HE   . ARG   A 1 12  ? 49.370 10.679  11.979  1.00 12.03 ?  12  ARG   A HE   1 
ATOM   180  H  HH11 . ARG   A 1 12  ? 47.413 13.156  10.602  1.00 12.22 ?  12  ARG   A HH11 1 
ATOM   181  H  HH12 . ARG   A 1 12  ? 48.031 14.252  11.385  1.00 12.64 ?  12  ARG   A HH12 1 
ATOM   182  H  HH21 . ARG   A 1 12  ? 50.255 12.460  13.017  1.00 13.94 ?  12  ARG   A HH21 1 
ATOM   183  H  HH22 . ARG   A 1 12  ? 49.737 13.838  12.836  1.00 13.68 ?  12  ARG   A HH22 1 
ATOM   184  N  N    . PRO   A 1 13  ? 41.849 9.166   10.271  1.00 8.64  ?  13  PRO   A N    1 
ATOM   185  C  CA   . PRO   A 1 13  ? 40.820 8.386   9.563   1.00 8.52  ?  13  PRO   A CA   1 
ATOM   186  C  C    . PRO   A 1 13  ? 40.508 8.868   8.138   1.00 7.83  ?  13  PRO   A C    1 
ATOM   187  O  O    . PRO   A 1 13  ? 39.784 8.198   7.388   1.00 8.08  ?  13  PRO   A O    1 
ATOM   188  C  CB   . PRO   A 1 13  ? 39.590 8.496   10.474  1.00 10.39 ?  13  PRO   A CB   1 
ATOM   189  C  CG   . PRO   A 1 13  ? 39.833 9.680   11.311  1.00 11.19 ?  13  PRO   A CG   1 
ATOM   190  C  CD   . PRO   A 1 13  ? 41.310 9.799   11.491  1.00 9.89  ?  13  PRO   A CD   1 
ATOM   191  H  HA   . PRO   A 1 13  ? 41.094 7.446   9.521   1.00 8.70  ?  13  PRO   A HA   1 
ATOM   192  H  HB2  . PRO   A 1 13  ? 38.788 8.612   9.940   1.00 10.39 ?  13  PRO   A HB2  1 
ATOM   193  H  HB3  . PRO   A 1 13  ? 39.522 7.701   11.025  1.00 9.96  ?  13  PRO   A HB3  1 
ATOM   194  H  HG2  . PRO   A 1 13  ? 39.484 10.465  10.863  1.00 11.15 ?  13  PRO   A HG2  1 
ATOM   195  H  HG3  . PRO   A 1 13  ? 39.397 9.560   12.169  1.00 10.70 ?  13  PRO   A HG3  1 
ATOM   196  H  HD2  . PRO   A 1 13  ? 41.570 10.732  11.537  1.00 9.75  ?  13  PRO   A HD2  1 
ATOM   197  H  HD3  . PRO   A 1 13  ? 41.587 9.310   12.281  1.00 10.09 ?  13  PRO   A HD3  1 
ATOM   198  N  N    . TYR   A 1 14  ? 41.059 10.015  7.766   1.00 8.10  ?  14  TYR   A N    1 
ATOM   199  C  CA   . TYR   A 1 14  ? 40.973 10.544  6.423   1.00 8.14  ?  14  TYR   A CA   1 
ATOM   200  C  C    . TYR   A 1 14  ? 42.024 9.949   5.481   1.00 7.02  ?  14  TYR   A C    1 
ATOM   201  O  O    . TYR   A 1 14  ? 41.942 10.205  4.283   1.00 7.58  ?  14  TYR   A O    1 
ATOM   202  C  CB   . TYR   A 1 14  ? 41.128 12.077  6.460   1.00 7.92  ?  14  TYR   A CB   1 
ATOM   203  C  CG   . TYR   A 1 14  ? 42.282 12.482  7.369   1.00 8.29  ?  14  TYR   A CG   1 
ATOM   204  C  CD1  . TYR   A 1 14  ? 43.590 12.463  6.933   1.00 8.82  ?  14  TYR   A CD1  1 
ATOM   205  C  CD2  . TYR   A 1 14  ? 42.054 12.848  8.702   1.00 9.13  ?  14  TYR   A CD2  1 
ATOM   206  C  CE1  . TYR   A 1 14  ? 44.636 12.759  7.782   1.00 9.36  ?  14  TYR   A CE1  1 
ATOM   207  C  CE2  . TYR   A 1 14  ? 43.102 13.139  9.557   1.00 9.70  ?  14  TYR   A CE2  1 
ATOM   208  C  CZ   . TYR   A 1 14  ? 44.394 13.131  9.086   1.00 9.81  ?  14  TYR   A CZ   1 
ATOM   209  O  OH   . TYR   A 1 14  ? 45.469 13.403  9.900   1.00 11.54 ?  14  TYR   A OH   1 
ATOM   210  H  H    . TYR   A 1 14  ? 41.497 10.512  8.303   1.00 8.08  ?  14  TYR   A H    1 
ATOM   211  H  HA   . TYR   A 1 14  ? 40.094 10.341  6.044   1.00 8.16  ?  14  TYR   A HA   1 
ATOM   212  H  HB2  . TYR   A 1 14  ? 41.306 12.413  5.568   1.00 7.97  ?  14  TYR   A HB2  1 
ATOM   213  H  HB3  . TYR   A 1 14  ? 40.313 12.472  6.810   1.00 7.89  ?  14  TYR   A HB3  1 
ATOM   214  H  HD1  . TYR   A 1 14  ? 43.775 12.209  6.058   1.00 8.60  ?  14  TYR   A HD1  1 
ATOM   215  H  HD2  . TYR   A 1 14  ? 41.184 12.849  9.031   1.00 8.86  ?  14  TYR   A HD2  1 
ATOM   216  H  HE1  . TYR   A 1 14  ? 45.509 12.741  7.462   1.00 9.23  ?  14  TYR   A HE1  1 
ATOM   217  H  HE2  . TYR   A 1 14  ? 42.929 13.384  10.438  1.00 9.44  ?  14  TYR   A HE2  1 
ATOM   218  H  HH   . TYR   A 1 14  ? 45.902 14.030  9.576   0.00 11.05 ?  14  TYR   A HH   1 
ATOM   219  N  N    . MET   A 1 15  ? 42.996 9.178   5.971   1.00 6.91  ?  15  MET   A N    1 
ATOM   220  C  CA   . MET   A 1 15  ? 44.085 8.729   5.108   1.00 7.17  ?  15  MET   A CA   1 
ATOM   221  C  C    . MET   A 1 15  ? 43.592 7.719   4.088   1.00 7.17  ?  15  MET   A C    1 
ATOM   222  O  O    . MET   A 1 15  ? 42.825 6.798   4.410   1.00 8.07  ?  15  MET   A O    1 
ATOM   223  C  CB   . MET   A 1 15  ? 45.194 8.110   5.930   1.00 7.58  ?  15  MET   A CB   1 
ATOM   224  C  CG   . MET   A 1 15  ? 46.040 9.137   6.659   1.00 8.12  ?  15  MET   A CG   1 
ATOM   225  S  SD   . MET   A 1 15  ? 46.859 10.364  5.620   1.00 8.78  ?  15  MET   A SD   1 
ATOM   226  C  CE   . MET   A 1 15  ? 47.827 9.341   4.514   1.00 9.32  ?  15  MET   A CE   1 
ATOM   227  H  H    . MET   A 1 15  ? 43.048 8.907   6.785   1.00 6.97  ?  15  MET   A H    1 
ATOM   228  H  HA   . MET   A 1 15  ? 44.450 9.505   4.635   1.00 7.20  ?  15  MET   A HA   1 
ATOM   229  H  HB2  . MET   A 1 15  ? 44.806 7.519   6.595   1.00 7.38  ?  15  MET   A HB2  1 
ATOM   230  H  HB3  . MET   A 1 15  ? 45.779 7.601   5.347   1.00 7.62  ?  15  MET   A HB3  1 
ATOM   231  H  HG2  . MET   A 1 15  ? 45.469 9.617   7.278   1.00 7.97  ?  15  MET   A HG2  1 
ATOM   232  H  HG3  . MET   A 1 15  ? 46.731 8.668   7.153   1.00 8.16  ?  15  MET   A HG3  1 
ATOM   233  H  HE1  . MET   A 1 15  ? 48.408 8.782   5.034   1.00 9.11  ?  15  MET   A HE1  1 
ATOM   234  H  HE2  . MET   A 1 15  ? 48.346 9.909   3.940   1.00 9.08  ?  15  MET   A HE2  1 
ATOM   235  H  HE3  . MET   A 1 15  ? 47.234 8.800   3.987   1.00 9.21  ?  15  MET   A HE3  1 
ATOM   236  N  N    . ALA   A 1 16  ? 44.063 7.874   2.862   1.00 7.21  ?  16  ALA   A N    1 
ATOM   237  C  CA   . ALA   A 1 16  ? 43.726 6.997   1.751   1.00 6.92  ?  16  ALA   A CA   1 
ATOM   238  C  C    . ALA   A 1 16  ? 44.983 6.348   1.211   1.00 6.78  ?  16  ALA   A C    1 
ATOM   239  O  O    . ALA   A 1 16  ? 45.999 7.026   1.009   1.00 7.62  ?  16  ALA   A O    1 
ATOM   240  C  CB   . ALA   A 1 16  ? 43.039 7.778   0.653   1.00 7.77  ?  16  ALA   A CB   1 
ATOM   241  H  H    . ALA   A 1 16  ? 44.601 8.505   2.635   1.00 7.25  ?  16  ALA   A H    1 
ATOM   242  H  HA   . ALA   A 1 16  ? 43.113 6.293   2.049   1.00 6.90  ?  16  ALA   A HA   1 
ATOM   243  H  HB1  . ALA   A 1 16  ? 42.253 8.197   1.013   1.00 7.63  ?  16  ALA   A HB1  1 
ATOM   244  H  HB2  . ALA   A 1 16  ? 42.795 7.175   -0.053  1.00 7.61  ?  16  ALA   A HB2  1 
ATOM   245  H  HB3  . ALA   A 1 16  ? 43.642 8.445   0.319   1.00 7.64  ?  16  ALA   A HB3  1 
ATOM   246  N  N    . TYR   A 1 17  ? 44.912 5.046   0.983   1.00 6.83  ?  17  TYR   A N    1 
ATOM   247  C  CA   . TYR   A 1 17  ? 45.973 4.264   0.351   1.00 7.18  ?  17  TYR   A CA   1 
ATOM   248  C  C    . TYR   A 1 17  ? 45.555 4.027   -1.089  1.00 7.35  ?  17  TYR   A C    1 
ATOM   249  O  O    . TYR   A 1 17  ? 44.490 3.454   -1.345  1.00 7.76  ?  17  TYR   A O    1 
ATOM   250  C  CB   . TYR   A 1 17  ? 46.149 2.942   1.101   1.00 7.80  ?  17  TYR   A CB   1 
ATOM   251  C  CG   . TYR   A 1 17  ? 47.211 2.015   0.574   1.00 8.31  ?  17  TYR   A CG   1 
ATOM   252  C  CD1  . TYR   A 1 17  ? 48.480 2.048   1.088   1.00 10.48 ?  17  TYR   A CD1  1 
ATOM   253  C  CD2  . TYR   A 1 17  ? 46.947 1.087   -0.425  1.00 9.83  ?  17  TYR   A CD2  1 
ATOM   254  C  CE1  . TYR   A 1 17  ? 49.467 1.186   0.661   1.00 11.50 ?  17  TYR   A CE1  1 
ATOM   255  C  CE2  . TYR   A 1 17  ? 47.925 0.202   -0.864  1.00 11.11 ?  17  TYR   A CE2  1 
ATOM   256  C  CZ   . TYR   A 1 17  ? 49.190 0.272   -0.312  1.00 10.31 ?  17  TYR   A CZ   1 
ATOM   257  O  OH   . TYR   A 1 17  ? 50.198 -0.608  -0.693  1.00 13.66 ?  17  TYR   A OH   1 
ATOM   258  H  H    . TYR   A 1 17  ? 44.229 4.567   1.191   1.00 6.83  ?  17  TYR   A H    1 
ATOM   259  H  HA   . TYR   A 1 17  ? 46.823 4.751   0.370   1.00 7.25  ?  17  TYR   A HA   1 
ATOM   260  H  HB2  . TYR   A 1 17  ? 46.368 3.143   2.025   1.00 7.91  ?  17  TYR   A HB2  1 
ATOM   261  H  HB3  . TYR   A 1 17  ? 45.308 2.460   1.069   1.00 7.68  ?  17  TYR   A HB3  1 
ATOM   262  H  HD1  . TYR   A 1 17  ? 48.677 2.655   1.761   1.00 9.55  ?  17  TYR   A HD1  1 
ATOM   263  H  HD2  . TYR   A 1 17  ? 46.090 1.033   -0.782  1.00 9.45  ?  17  TYR   A HD2  1 
ATOM   264  H  HE1  . TYR   A 1 17  ? 50.315 1.222   1.040   1.00 11.13 ?  17  TYR   A HE1  1 
ATOM   265  H  HE2  . TYR   A 1 17  ? 47.732 -0.423  -1.525  1.00 10.15 ?  17  TYR   A HE2  1 
ATOM   266  H  HH   . TYR   A 1 17  ? 50.448 -1.048  -0.071  0.00 12.85 ?  17  TYR   A HH   1 
ATOM   267  N  N    . LEU   A 1 18  ? 46.349 4.535   -2.027  1.00 7.14  ?  18  LEU   A N    1 
ATOM   268  C  CA   . LEU   A 1 18  ? 46.037 4.467   -3.449  1.00 7.29  ?  18  LEU   A CA   1 
ATOM   269  C  C    . LEU   A 1 18  ? 46.921 3.469   -4.176  1.00 8.30  ?  18  LEU   A C    1 
ATOM   270  O  O    . LEU   A 1 18  ? 48.145 3.528   -4.091  1.00 9.24  ?  18  LEU   A O    1 
ATOM   271  C  CB   . LEU   A 1 18  ? 46.221 5.842   -4.107  1.00 8.10  ?  18  LEU   A CB   1 
ATOM   272  C  CG   . LEU   A 1 18  ? 45.172 6.915   -3.901  1.00 10.65 ?  18  LEU   A CG   1 
ATOM   273  C  CD1  . LEU   A 1 18  ? 44.793 7.151   -2.472  1.00 12.42 ?  18  LEU   A CD1  1 
ATOM   274  C  CD2  . LEU   A 1 18  ? 45.609 8.205   -4.531  1.00 9.52  ?  18  LEU   A CD2  1 
ATOM   275  H  H    . LEU   A 1 18  ? 47.095 4.931   -1.861  1.00 7.12  ?  18  LEU   A H    1 
ATOM   276  H  HA   . LEU   A 1 18  ? 45.102 4.210   -3.569  1.00 7.60  ?  18  LEU   A HA   1 
ATOM   277  H  HB2  . LEU   A 1 18  ? 47.062 6.212   -3.796  1.00 8.37  ?  18  LEU   A HB2  1 
ATOM   278  H  HB3  . LEU   A 1 18  ? 46.279 5.705   -5.065  1.00 8.43  ?  18  LEU   A HB3  1 
ATOM   279  H  HG   . LEU   A 1 18  ? 44.366 6.635   -4.362  1.00 10.35 ?  18  LEU   A HG   1 
ATOM   280  H  HD11 . LEU   A 1 18  ? 44.337 6.375   -2.138  1.00 11.12 ?  18  LEU   A HD11 1 
ATOM   281  H  HD12 . LEU   A 1 18  ? 44.211 7.914   -2.421  1.00 11.39 ?  18  LEU   A HD12 1 
ATOM   282  H  HD13 . LEU   A 1 18  ? 45.589 7.311   -1.959  1.00 11.91 ?  18  LEU   A HD13 1 
ATOM   283  H  HD21 . LEU   A 1 18  ? 46.410 8.508   -4.098  1.00 9.62  ?  18  LEU   A HD21 1 
ATOM   284  H  HD22 . LEU   A 1 18  ? 44.913 8.858   -4.427  1.00 9.46  ?  18  LEU   A HD22 1 
ATOM   285  H  HD23 . LEU   A 1 18  ? 45.778 8.053   -5.464  1.00 9.58  ?  18  LEU   A HD23 1 
ATOM   286  N  N    . GLU   A 1 19  ? 46.262 2.589   -4.923  1.00 9.09  ?  19  GLU   A N    1 
ATOM   287  C  CA   . GLU   A 1 19  ? 46.959 1.681   -5.827  1.00 10.02 ?  19  GLU   A CA   1 
ATOM   288  C  C    . GLU   A 1 19  ? 46.618 2.118   -7.241  1.00 9.79  ?  19  GLU   A C    1 
ATOM   289  O  O    . GLU   A 1 19  ? 45.444 2.167   -7.608  1.00 10.53 ?  19  GLU   A O    1 
ATOM   290  C  CB   . GLU   A 1 19  ? 46.560 0.231   -5.571  1.00 13.14 ?  19  GLU   A CB   1 
ATOM   291  C  CG   . GLU   A 1 19  ? 47.290 -0.738  -6.497  1.00 14.96 ?  19  GLU   A CG   1 
ATOM   292  C  CD   . GLU   A 1 19  ? 47.148 -2.206  -6.138  1.00 21.85 ?  19  GLU   A CD   1 
ATOM   293  O  OE1  . GLU   A 1 19  ? 46.387 -2.545  -5.229  1.00 22.24 ?  19  GLU   A OE1  1 
ATOM   294  O  OE2  . GLU   A 1 19  ? 47.802 -3.029  -6.811  1.00 24.54 ?  19  GLU   A OE2  1 
ATOM   295  H  H    . GLU   A 1 19  ? 45.407 2.493   -4.927  1.00 9.01  ?  19  GLU   A H    1 
ATOM   296  H  HA   . GLU   A 1 19  ? 47.928 1.749   -5.700  1.00 10.16 ?  19  GLU   A HA   1 
ATOM   297  H  HB2  . GLU   A 1 19  ? 46.780 0.001   -4.655  1.00 13.03 ?  19  GLU   A HB2  1 
ATOM   298  H  HB3  . GLU   A 1 19  ? 45.609 0.132   -5.721  1.00 13.15 ?  19  GLU   A HB3  1 
ATOM   299  H  HG2  . GLU   A 1 19  ? 46.949 -0.629  -7.398  1.00 15.58 ?  19  GLU   A HG2  1 
ATOM   300  H  HG3  . GLU   A 1 19  ? 48.234 -0.522  -6.475  1.00 15.49 ?  19  GLU   A HG3  1 
ATOM   301  N  N    . ILE   A 1 20  ? 47.659 2.430   -8.001  1.00 9.97  ?  20  ILE   A N    1 
ATOM   302  C  CA   A ILE   A 1 20  ? 47.597 3.134   -9.278  0.50 10.77 ?  20  ILE   A CA   1 
ATOM   303  C  CA   B ILE   A 1 20  ? 47.442 3.026   -9.289  0.50 10.07 ?  20  ILE   A CA   1 
ATOM   304  C  C    . ILE   A 1 20  ? 47.940 2.123   -10.380 1.00 10.84 ?  20  ILE   A C    1 
ATOM   305  O  O    . ILE   A 1 20  ? 49.049 1.613   -10.353 1.00 11.11 ?  20  ILE   A O    1 
ATOM   306  C  CB   A ILE   A 1 20  ? 48.701 4.242   -9.331  0.50 11.84 ?  20  ILE   A CB   1 
ATOM   307  C  CB   B ILE   A 1 20  ? 48.121 4.368   -9.383  0.50 9.28  ?  20  ILE   A CB   1 
ATOM   308  C  CG1  A ILE   A 1 20  ? 48.757 5.143   -8.084  0.50 13.23 ?  20  ILE   A CG1  1 
ATOM   309  C  CG1  B ILE   A 1 20  ? 47.587 5.260   -8.275  0.50 8.51  ?  20  ILE   A CG1  1 
ATOM   310  C  CG2  A ILE   A 1 20  ? 48.589 5.081   -10.590 0.50 11.22 ?  20  ILE   A CG2  1 
ATOM   311  C  CG2  B ILE   A 1 20  ? 47.880 4.979   -10.751 0.50 10.28 ?  20  ILE   A CG2  1 
ATOM   312  C  CD1  A ILE   A 1 20  ? 47.449 5.726   -7.665  0.50 14.06 ?  20  ILE   A CD1  1 
ATOM   313  C  CD1  B ILE   A 1 20  ? 48.666 5.817   -7.395  0.50 9.35  ?  20  ILE   A CD1  1 
ATOM   314  H  H    . ILE   A 1 20  ? 48.476 2.264   -7.787  1.00 10.05 ?  20  ILE   A H    1 
ATOM   315  H  HA   A ILE   A 1 20  ? 46.714 3.528   -9.434  0.50 10.67 ?  20  ILE   A HA   1 
ATOM   316  H  HA   B ILE   A 1 20  ? 46.485 3.183   -9.428  0.50 10.24 ?  20  ILE   A HA   1 
ATOM   317  H  HB   A ILE   A 1 20  ? 49.558 3.793   -9.372  0.50 11.56 ?  20  ILE   A HB   1 
ATOM   318  H  HB   B ILE   A 1 20  ? 49.075 4.247   -9.256  0.50 9.57  ?  20  ILE   A HB   1 
ATOM   319  H  HG12 A ILE   A 1 20  ? 49.097 4.624   -7.339  0.50 12.91 ?  20  ILE   A HG12 1 
ATOM   320  H  HG12 B ILE   A 1 20  ? 47.122 6.008   -8.678  0.50 9.21  ?  20  ILE   A HG12 1 
ATOM   321  H  HG13 A ILE   A 1 20  ? 49.360 5.881   -8.265  0.50 13.31 ?  20  ILE   A HG13 1 
ATOM   322  H  HG13 B ILE   A 1 20  ? 46.971 4.766   -7.716  0.50 9.02  ?  20  ILE   A HG13 1 
ATOM   323  H  HG21 A ILE   A 1 20  ? 48.827 4.547   -11.352 0.50 11.28 ?  20  ILE   A HG21 1 
ATOM   324  H  HG21 B ILE   A 1 20  ? 48.358 4.480   -11.418 0.50 10.12 ?  20  ILE   A HG21 1 
ATOM   325  H  HG22 A ILE   A 1 20  ? 49.189 5.827   -10.517 0.50 11.63 ?  20  ILE   A HG22 1 
ATOM   326  H  HG22 B ILE   A 1 20  ? 48.195 5.884   -10.745 0.50 10.22 ?  20  ILE   A HG22 1 
ATOM   327  H  HG23 A ILE   A 1 20  ? 47.686 5.394   -10.677 0.50 11.30 ?  20  ILE   A HG23 1 
ATOM   328  H  HG23 B ILE   A 1 20  ? 46.938 4.961   -10.939 0.50 10.31 ?  20  ILE   A HG23 1 
ATOM   329  H  HD11 A ILE   A 1 20  ? 47.030 6.138   -8.424  0.50 14.03 ?  20  ILE   A HD11 1 
ATOM   330  H  HD11 B ILE   A 1 20  ? 49.141 5.090   -6.985  0.50 9.39  ?  20  ILE   A HD11 1 
ATOM   331  H  HD12 A ILE   A 1 20  ? 47.604 6.379   -6.978  0.50 13.91 ?  20  ILE   A HD12 1 
ATOM   332  H  HD12 B ILE   A 1 20  ? 48.263 6.368   -6.720  0.50 9.31  ?  20  ILE   A HD12 1 
ATOM   333  H  HD13 A ILE   A 1 20  ? 46.889 5.022   -7.327  0.50 13.37 ?  20  ILE   A HD13 1 
ATOM   334  H  HD13 B ILE   A 1 20  ? 49.266 6.341   -7.930  0.50 9.64  ?  20  ILE   A HD13 1 
ATOM   335  N  N    . VAL   A 1 21  ? 47.033 1.901   -11.317 1.00 12.33 ?  21  VAL   A N    1 
ATOM   336  C  CA   . VAL   A 1 21  ? 47.210 0.944   -12.366 1.00 16.22 ?  21  VAL   A CA   1 
ATOM   337  C  C    . VAL   A 1 21  ? 47.484 1.690   -13.644 1.00 17.26 ?  21  VAL   A C    1 
ATOM   338  O  O    . VAL   A 1 21  ? 46.859 2.716   -13.954 1.00 15.23 ?  21  VAL   A O    1 
ATOM   339  C  CB   . VAL   A 1 21  ? 45.934 0.073   -12.513 1.00 22.65 ?  21  VAL   A CB   1 
ATOM   340  C  CG1  . VAL   A 1 21  ? 46.008 -0.820  -13.731 1.00 26.11 ?  21  VAL   A CG1  1 
ATOM   341  C  CG2  . VAL   A 1 21  ? 45.726 -0.736  -11.243 1.00 25.46 ?  21  VAL   A CG2  1 
ATOM   342  H  H    . VAL   A 1 21  ? 46.281 2.315   -11.370 1.00 12.39 ?  21  VAL   A H    1 
ATOM   343  H  HA   . VAL   A 1 21  ? 47.961 0.354   -12.159 1.00 15.76 ?  21  VAL   A HA   1 
ATOM   344  H  HB   . VAL   A 1 21  ? 45.160 0.664   -12.621 1.00 21.59 ?  21  VAL   A HB   1 
ATOM   345  H  HG11 . VAL   A 1 21  ? 45.923 -0.290  -14.527 1.00 24.82 ?  21  VAL   A HG11 1 
ATOM   346  H  HG12 . VAL   A 1 21  ? 45.286 -1.447  -13.682 1.00 24.24 ?  21  VAL   A HG12 1 
ATOM   347  H  HG13 . VAL   A 1 21  ? 46.848 -1.282  -13.727 1.00 24.86 ?  21  VAL   A HG13 1 
ATOM   348  H  HG21 . VAL   A 1 21  ? 46.474 -1.324  -11.123 1.00 24.42 ?  21  VAL   A HG21 1 
ATOM   349  H  HG22 . VAL   A 1 21  ? 44.918 -1.247  -11.326 1.00 23.62 ?  21  VAL   A HG22 1 
ATOM   350  H  HG23 . VAL   A 1 21  ? 45.660 -0.138  -10.497 1.00 23.19 ?  21  VAL   A HG23 1 
ATOM   351  N  N    . THR   A 1 22  ? 48.419 1.131   -14.393 1.00 19.88 ?  22  THR   A N    1 
ATOM   352  C  CA   . THR   A 1 22  ? 48.742 1.594   -15.738 1.00 22.79 ?  22  THR   A CA   1 
ATOM   353  C  C    . THR   A 1 22  ? 48.776 0.374   -16.642 1.00 25.71 ?  22  THR   A C    1 
ATOM   354  O  O    . THR   A 1 22  ? 48.962 -0.757  -16.175 1.00 26.13 ?  22  THR   A O    1 
ATOM   355  C  CB   . THR   A 1 22  ? 50.098 2.301   -15.725 1.00 26.45 ?  22  THR   A CB   1 
ATOM   356  O  OG1  . THR   A 1 22  ? 51.069 1.466   -15.079 1.00 28.70 ?  22  THR   A OG1  1 
ATOM   357  C  CG2  . THR   A 1 22  ? 49.993 3.613   -14.956 1.00 27.22 ?  22  THR   A CG2  1 
ATOM   358  H  H    . THR   A 1 22  ? 48.902 0.465   -14.142 1.00 19.13 ?  22  THR   A H    1 
ATOM   359  H  HA   . THR   A 1 22  ? 48.061 2.215   -16.071 1.00 21.09 ?  22  THR   A HA   1 
ATOM   360  H  HB   . THR   A 1 22  ? 50.379 2.492   -16.634 1.00 26.00 ?  22  THR   A HB   1 
ATOM   361  H  HG1  . THR   A 1 22  ? 51.838 1.842   -15.136 0.00 27.09 ?  22  THR   A HG1  1 
ATOM   362  H  HG21 . THR   A 1 22  ? 49.278 4.146   -15.312 1.00 27.02 ?  22  THR   A HG21 1 
ATOM   363  H  HG22 . THR   A 1 22  ? 50.814 4.104   -15.033 1.00 27.11 ?  22  THR   A HG22 1 
ATOM   364  H  HG23 . THR   A 1 22  ? 49.821 3.438   -14.028 1.00 26.07 ?  22  THR   A HG23 1 
ATOM   365  N  N    . SER   A 1 23  ? 48.606 0.583   -17.940 1.00 27.74 ?  23  SER   A N    1 
ATOM   366  C  CA   . SER   A 1 23  ? 48.433 -0.544  -18.842 1.00 27.83 ?  23  SER   A CA   1 
ATOM   367  C  C    . SER   A 1 23  ? 49.708 -1.356  -19.072 1.00 25.79 ?  23  SER   A C    1 
ATOM   368  O  O    . SER   A 1 23  ? 49.591 -2.537  -19.425 1.00 21.37 ?  23  SER   A O    1 
ATOM   369  C  CB   . SER   A 1 23  ? 47.828 -0.091  -20.181 1.00 30.79 ?  23  SER   A CB   1 
ATOM   370  O  OG   . SER   A 1 23  ? 46.437 0.225   -20.029 1.00 37.63 ?  23  SER   A OG   1 
ATOM   371  H  H    . SER   A 1 23  ? 48.589 1.358   -18.314 1.00 27.02 ?  23  SER   A H    1 
ATOM   372  H  HA   . SER   A 1 23  ? 47.786 -1.159  -18.442 1.00 28.15 ?  23  SER   A HA   1 
ATOM   373  H  HB2  . SER   A 1 23  ? 48.299 0.696   -20.495 1.00 31.85 ?  23  SER   A HB2  1 
ATOM   374  H  HB3  . SER   A 1 23  ? 47.917 -0.808  -20.828 1.00 30.04 ?  23  SER   A HB3  1 
ATOM   375  H  HG   . SER   A 1 23  ? 46.160 0.466   -20.760 0.00 31.94 ?  23  SER   A HG   1 
ATOM   376  N  N    . ASN   A 1 24  ? 50.881 -0.749  -18.809 1.00 21.62 ?  24  ASN   A N    1 
ATOM   377  C  CA   . ASN   A 1 24  ? 52.206 -1.299  -19.171 1.00 24.87 ?  24  ASN   A CA   1 
ATOM   378  C  C    . ASN   A 1 24  ? 53.259 -1.467  -18.039 1.00 23.19 ?  24  ASN   A C    1 
ATOM   379  O  O    . ASN   A 1 24  ? 54.457 -1.587  -18.297 1.00 26.36 ?  24  ASN   A O    1 
ATOM   380  C  CB   . ASN   A 1 24  ? 52.819 -0.373  -20.216 1.00 28.31 ?  24  ASN   A CB   1 
ATOM   381  C  CG   . ASN   A 1 24  ? 53.122 1.007   -19.649 1.00 34.79 ?  24  ASN   A CG   1 
ATOM   382  O  OD1  . ASN   A 1 24  ? 52.568 1.406   -18.606 1.00 40.24 ?  24  ASN   A OD1  1 
ATOM   383  N  ND2  . ASN   A 1 24  ? 54.004 1.745   -20.323 1.00 38.58 ?  24  ASN   A ND2  1 
ATOM   384  H  H    . ASN   A 1 24  ? 50.941 0.005   -18.404 1.00 23.97 ?  24  ASN   A H    1 
ATOM   385  H  HA   . ASN   A 1 24  ? 52.085 -2.176  -19.581 1.00 25.23 ?  24  ASN   A HA   1 
ATOM   386  H  HB2  . ASN   A 1 24  ? 53.645 -0.758  -20.548 1.00 28.32 ?  24  ASN   A HB2  1 
ATOM   387  H  HB3  . ASN   A 1 24  ? 52.190 -0.264  -20.945 1.00 29.21 ?  24  ASN   A HB3  1 
ATOM   388  H  HD21 . ASN   A 1 24  ? 54.227 2.647   -20.011 1.00 36.57 ?  24  ASN   A HD21 1 
ATOM   389  H  HD22 . ASN   A 1 24  ? 54.430 1.388   -21.131 1.00 34.91 ?  24  ASN   A HD22 1 
ATOM   390  N  N    . GLY   A 1 25  ? 52.836 -1.434  -16.787 1.00 17.81 ?  25  GLY   A N    1 
ATOM   391  C  CA   . GLY   A 1 25  ? 53.726 -1.807  -15.697 1.00 15.23 ?  25  GLY   A CA   1 
ATOM   392  C  C    . GLY   A 1 25  ? 52.869 -2.193  -14.514 1.00 14.14 ?  25  GLY   A C    1 
ATOM   393  O  O    . GLY   A 1 25  ? 51.658 -2.086  -14.587 1.00 13.90 ?  25  GLY   A O    1 
ATOM   394  H  H    . GLY   A 1 25  ? 52.046 -1.198  -16.542 1.00 18.08 ?  25  GLY   A H    1 
ATOM   395  H  HA2  . GLY   A 1 25  ? 54.278 -2.563  -15.950 1.00 15.14 ?  25  GLY   A HA2  1 
ATOM   396  H  HA3  . GLY   A 1 25  ? 54.294 -1.059  -15.454 1.00 15.90 ?  25  GLY   A HA3  1 
ATOM   397  N  N    . PRO   A 1 26  ? 53.494 -2.727  -13.447 1.00 13.02 ?  26  PRO   A N    1 
ATOM   398  C  CA   . PRO   A 1 26  ? 52.747 -3.141  -12.260 1.00 12.13 ?  26  PRO   A CA   1 
ATOM   399  C  C    . PRO   A 1 26  ? 52.233 -1.932  -11.485 1.00 12.55 ?  26  PRO   A C    1 
ATOM   400  O  O    . PRO   A 1 26  ? 52.567 -0.798  -11.798 1.00 12.27 ?  26  PRO   A O    1 
ATOM   401  C  CB   . PRO   A 1 26  ? 53.774 -3.944  -11.443 1.00 14.06 ?  26  PRO   A CB   1 
ATOM   402  C  CG   . PRO   A 1 26  ? 55.076 -3.374  -11.837 1.00 14.78 ?  26  PRO   A CG   1 
ATOM   403  C  CD   . PRO   A 1 26  ? 54.936 -2.994  -13.290 1.00 14.29 ?  26  PRO   A CD   1 
ATOM   404  H  HA   . PRO   A 1 26  ? 51.997 -3.721  -12.506 1.00 12.83 ?  26  PRO   A HA   1 
ATOM   405  H  HB2  . PRO   A 1 26  ? 53.617 -3.822  -10.493 1.00 13.55 ?  26  PRO   A HB2  1 
ATOM   406  H  HB3  . PRO   A 1 26  ? 53.723 -4.882  -11.684 1.00 13.60 ?  26  PRO   A HB3  1 
ATOM   407  H  HG2  . PRO   A 1 26  ? 55.264 -2.591  -11.298 1.00 14.47 ?  26  PRO   A HG2  1 
ATOM   408  H  HG3  . PRO   A 1 26  ? 55.770 -4.042  -11.725 1.00 13.87 ?  26  PRO   A HG3  1 
ATOM   409  H  HD2  . PRO   A 1 26  ? 55.451 -2.194  -13.479 1.00 14.26 ?  26  PRO   A HD2  1 
ATOM   410  H  HD3  . PRO   A 1 26  ? 55.204 -3.732  -13.859 1.00 13.96 ?  26  PRO   A HD3  1 
ATOM   411  N  N    . SER   A 1 27  ? 51.399 -2.218  -10.511 1.00 13.04 ?  27  SER   A N    1 
ATOM   412  C  CA   . SER   A 1 27  ? 50.860 -1.184  -9.626  1.00 13.26 ?  27  SER   A CA   1 
ATOM   413  C  C    . SER   A 1 27  ? 51.922 -0.255  -9.050  1.00 13.03 ?  27  SER   A C    1 
ATOM   414  O  O    . SER   A 1 27  ? 52.988 -0.704  -8.656  1.00 14.38 ?  27  SER   A O    1 
ATOM   415  C  CB   . SER   A 1 27  ? 50.134 -1.866  -8.470  1.00 15.50 ?  27  SER   A CB   1 
ATOM   416  O  OG   . SER   A 1 27  ? 48.998 -2.556  -8.940  1.00 19.45 ?  27  SER   A OG   1 
ATOM   417  H  H    . SER   A 1 27  ? 51.119 -3.013  -10.335 1.00 13.38 ?  27  SER   A H    1 
ATOM   418  H  HA   . SER   A 1 27  ? 50.208 -0.651  -10.125 1.00 13.80 ?  27  SER   A HA   1 
ATOM   419  H  HB2  . SER   A 1 27  ? 50.736 -2.497  -8.046  1.00 15.62 ?  27  SER   A HB2  1 
ATOM   420  H  HB3  . SER   A 1 27  ? 49.856 -1.193  -7.832  1.00 14.53 ?  27  SER   A HB3  1 
ATOM   421  H  HG   . SER   A 1 27  ? 48.630 -2.943  -8.308  0.00 17.83 ?  27  SER   A HG   1 
ATOM   422  N  N    . LYS   A 1 28  ? 51.579 1.033   -8.968  1.00 12.46 ?  28  LYS   A N    1 
ATOM   423  C  CA   . LYS   A 1 28  ? 52.340 2.026   -8.211  1.00 12.53 ?  28  LYS   A CA   1 
ATOM   424  C  C    . LYS   A 1 28  ? 51.473 2.507   -7.053  1.00 11.38 ?  28  LYS   A C    1 
ATOM   425  O  O    . LYS   A 1 28  ? 50.276 2.250   -7.038  1.00 10.79 ?  28  LYS   A O    1 
ATOM   426  C  CB   . LYS   A 1 28  ? 52.698 3.222   -9.077  1.00 14.86 ?  28  LYS   A CB   1 
ATOM   427  C  CG   . LYS   A 1 28  ? 53.651 2.911   -10.211 1.00 18.73 ?  28  LYS   A CG   1 
ATOM   428  C  CD   . LYS   A 1 28  ? 53.874 4.174   -11.023 1.00 23.56 ?  28  LYS   A CD   1 
ATOM   429  C  CE   . LYS   A 1 28  ? 52.898 4.276   -12.164 1.00 28.04 ?  28  LYS   A CE   1 
ATOM   430  N  NZ   . LYS   A 1 28  ? 53.508 3.615   -13.356 1.00 34.83 ?  28  LYS   A NZ   1 
ATOM   431  H  H    . LYS   A 1 28  ? 50.889 1.368   -9.356  1.00 12.82 ?  28  LYS   A H    1 
ATOM   432  H  HA   . LYS   A 1 28  ? 53.164 1.638   -7.851  1.00 12.70 ?  28  LYS   A HA   1 
ATOM   433  H  HB2  . LYS   A 1 28  ? 51.885 3.580   -9.466  1.00 15.62 ?  28  LYS   A HB2  1 
ATOM   434  H  HB3  . LYS   A 1 28  ? 53.116 3.895   -8.517  1.00 13.76 ?  28  LYS   A HB3  1 
ATOM   435  H  HG2  . LYS   A 1 28  ? 54.503 2.622   -9.848  1.00 18.81 ?  28  LYS   A HG2  1 
ATOM   436  H  HG3  . LYS   A 1 28  ? 53.272 2.224   -10.782 1.00 18.64 ?  28  LYS   A HG3  1 
ATOM   437  H  HD2  . LYS   A 1 28  ? 53.757 4.953   -10.458 1.00 21.61 ?  28  LYS   A HD2  1 
ATOM   438  H  HD3  . LYS   A 1 28  ? 54.774 4.161   -11.386 1.00 22.99 ?  28  LYS   A HD3  1 
ATOM   439  H  HE2  . LYS   A 1 28  ? 52.069 3.826   -11.939 1.00 25.86 ?  28  LYS   A HE2  1 
ATOM   440  H  HE3  . LYS   A 1 28  ? 52.733 5.207   -12.364 1.00 26.99 ?  28  LYS   A HE3  1 
ATOM   441  H  HZ1  . LYS   A 1 28  ? 54.287 4.101   -13.640 1.00 31.85 ?  28  LYS   A HZ1  1 
ATOM   442  H  HZ2  . LYS   A 1 28  ? 52.877 3.595   -14.079 1.00 32.61 ?  28  LYS   A HZ2  1 
ATOM   443  H  HZ3  . LYS   A 1 28  ? 53.762 2.716   -13.140 1.00 31.55 ?  28  LYS   A HZ3  1 
ATOM   444  N  N    . PHE   A 1 29  ? 52.100 3.179   -6.085  1.00 10.93 ?  29  PHE   A N    1 
ATOM   445  C  CA   . PHE   A 1 29  ? 51.407 3.509   -4.829  1.00 10.72 ?  29  PHE   A CA   1 
ATOM   446  C  C    . PHE   A 1 29  ? 51.567 4.946   -4.430  1.00 9.25  ?  29  PHE   A C    1 
ATOM   447  O  O    . PHE   A 1 29  ? 52.646 5.542   -4.577  1.00 11.05 ?  29  PHE   A O    1 
ATOM   448  C  CB   . PHE   A 1 29  ? 51.862 2.551   -3.715  1.00 12.94 ?  29  PHE   A CB   1 
ATOM   449  C  CG   . PHE   A 1 29  ? 51.566 1.127   -4.066  1.00 13.19 ?  29  PHE   A CG   1 
ATOM   450  C  CD1  . PHE   A 1 29  ? 50.341 0.581   -3.742  1.00 13.39 ?  29  PHE   A CD1  1 
ATOM   451  C  CD2  . PHE   A 1 29  ? 52.468 0.359   -4.803  1.00 14.37 ?  29  PHE   A CD2  1 
ATOM   452  C  CE1  . PHE   A 1 29  ? 50.011 -0.726  -4.110  1.00 15.08 ?  29  PHE   A CE1  1 
ATOM   453  C  CE2  . PHE   A 1 29  ? 52.148 -0.939  -5.183  1.00 14.36 ?  29  PHE   A CE2  1 
ATOM   454  C  CZ   . PHE   A 1 29  ? 50.919 -1.479  -4.845  1.00 15.20 ?  29  PHE   A CZ   1 
ATOM   455  H  H    . PHE   A 1 29  ? 52.914 3.453   -6.127  1.00 11.07 ?  29  PHE   A H    1 
ATOM   456  H  HA   . PHE   A 1 29  ? 50.450 3.354   -4.954  1.00 10.87 ?  29  PHE   A HA   1 
ATOM   457  H  HB2  . PHE   A 1 29  ? 52.820 2.639   -3.589  1.00 12.58 ?  29  PHE   A HB2  1 
ATOM   458  H  HB3  . PHE   A 1 29  ? 51.397 2.766   -2.894  1.00 12.73 ?  29  PHE   A HB3  1 
ATOM   459  H  HD1  . PHE   A 1 29  ? 49.725 1.091   -3.268  1.00 13.57 ?  29  PHE   A HD1  1 
ATOM   460  H  HD2  . PHE   A 1 29  ? 53.287 0.723   -5.052  1.00 14.27 ?  29  PHE   A HD2  1 
ATOM   461  H  HE1  . PHE   A 1 29  ? 49.187 -1.086  -3.872  1.00 14.61 ?  29  PHE   A HE1  1 
ATOM   462  H  HE2  . PHE   A 1 29  ? 52.763 -1.448  -5.660  1.00 14.34 ?  29  PHE   A HE2  1 
ATOM   463  H  HZ   . PHE   A 1 29  ? 50.717 -2.357  -5.074  1.00 14.96 ?  29  PHE   A HZ   1 
ATOM   464  N  N    . CYS   A 1 30  ? 50.486 5.512   -3.892  1.00 9.05  ?  30  CYS   A N    1 
ATOM   465  C  CA   . CYS   A 1 30  ? 50.466 6.871   -3.382  1.00 8.19  ?  30  CYS   A CA   1 
ATOM   466  C  C    . CYS   A 1 30  ? 49.601 6.912   -2.140  1.00 7.05  ?  30  CYS   A C    1 
ATOM   467  O  O    . CYS   A 1 30  ? 48.827 5.994   -1.864  1.00 7.86  ?  30  CYS   A O    1 
ATOM   468  C  CB   . CYS   A 1 30  ? 49.928 7.866   -4.419  1.00 9.07  ?  30  CYS   A CB   1 
ATOM   469  S  SG   . CYS   A 1 30  ? 51.068 8.209   -5.765  1.00 10.71 ?  30  CYS   A SG   1 
ATOM   470  H  H    . CYS   A 1 30  ? 49.728 5.112   -3.815  1.00 8.97  ?  30  CYS   A H    1 
ATOM   471  H  HA   . CYS   A 1 30  ? 51.371 7.150   -3.129  1.00 8.20  ?  30  CYS   A HA   1 
ATOM   472  H  HB2  . CYS   A 1 30  ? 49.120 7.495   -4.808  1.00 9.36  ?  30  CYS   A HB2  1 
ATOM   473  H  HB3  . CYS   A 1 30  ? 49.721 8.707   -3.986  1.00 8.78  ?  30  CYS   A HB3  1 
ATOM   474  H  HG   . CYS   A 1 30  ? 51.373 7.069   -6.409  1.00 10.52 ?  30  CYS   A HG   1 
ATOM   475  N  N    . GLY   A 1 31  ? 49.672 8.035   -1.441  1.00 6.79  ?  31  GLY   A N    1 
ATOM   476  C  CA   . GLY   A 1 31  ? 48.694 8.385   -0.429  1.00 6.41  ?  31  GLY   A CA   1 
ATOM   477  C  C    . GLY   A 1 31  ? 47.701 9.379   -0.968  1.00 6.49  ?  31  GLY   A C    1 
ATOM   478  O  O    . GLY   A 1 31  ? 47.758 9.823   -2.114  1.00 7.58  ?  31  GLY   A O    1 
ATOM   479  H  H    . GLY   A 1 31  ? 50.293 8.623   -1.537  1.00 6.80  ?  31  GLY   A H    1 
ATOM   480  H  HA2  . GLY   A 1 31  ? 48.218 7.598   -0.125  1.00 6.57  ?  31  GLY   A HA2  1 
ATOM   481  H  HA3  . GLY   A 1 31  ? 49.144 8.784   0.332   1.00 6.62  ?  31  GLY   A HA3  1 
ATOM   482  N  N    . GLY   A 1 32  ? 46.764 9.740   -0.112  1.00 6.98  ?  32  GLY   A N    1 
ATOM   483  C  CA   . GLY   A 1 32  ? 45.771 10.742  -0.386  1.00 6.70  ?  32  GLY   A CA   1 
ATOM   484  C  C    . GLY   A 1 32  ? 44.958 10.940  0.874   1.00 6.26  ?  32  GLY   A C    1 
ATOM   485  O  O    . GLY   A 1 32  ? 45.228 10.314  1.903   1.00 7.17  ?  32  GLY   A O    1 
ATOM   486  H  H    . GLY   A 1 32  ? 46.688 9.391   0.671   1.00 6.67  ?  32  GLY   A H    1 
ATOM   487  H  HA2  . GLY   A 1 32  ? 46.188 11.578  -0.637  1.00 6.84  ?  32  GLY   A HA2  1 
ATOM   488  H  HA3  . GLY   A 1 32  ? 45.186 10.449  -1.103  1.00 6.81  ?  32  GLY   A HA3  1 
ATOM   489  N  N    . PHE   A 1 33  ? 43.976 11.833  0.808   1.00 6.63  ?  33  PHE   A N    1 
ATOM   490  C  CA   . PHE   A 1 33  ? 43.135 12.068  1.969   1.00 7.46  ?  33  PHE   A CA   1 
ATOM   491  C  C    . PHE   A 1 33  ? 41.722 12.437  1.567   1.00 7.57  ?  33  PHE   A C    1 
ATOM   492  O  O    . PHE   A 1 33  ? 41.485 13.162  0.600   1.00 7.84  ?  33  PHE   A O    1 
ATOM   493  C  CB   . PHE   A 1 33  ? 43.765 13.090  2.953   1.00 8.33  ?  33  PHE   A CB   1 
ATOM   494  C  CG   . PHE   A 1 33  ? 44.236 14.388  2.330   1.00 10.03 ?  33  PHE   A CG   1 
ATOM   495  C  CD1  . PHE   A 1 33  ? 45.343 14.448  1.478   1.00 10.83 ?  33  PHE   A CD1  1 
ATOM   496  C  CD2  . PHE   A 1 33  ? 43.630 15.575  2.691   1.00 11.30 ?  33  PHE   A CD2  1 
ATOM   497  C  CE1  . PHE   A 1 33  ? 45.798 15.653  0.986   1.00 12.05 ?  33  PHE   A CE1  1 
ATOM   498  C  CE2  . PHE   A 1 33  ? 44.081 16.791  2.170   1.00 12.40 ?  33  PHE   A CE2  1 
ATOM   499  C  CZ   . PHE   A 1 33  ? 45.173 16.821  1.334   1.00 13.09 ?  33  PHE   A CZ   1 
ATOM   500  H  H    . PHE   A 1 33  ? 43.785 12.307  0.116   1.00 6.57  ?  33  PHE   A H    1 
ATOM   501  H  HA   . PHE   A 1 33  ? 43.070 11.223  2.456   1.00 7.43  ?  33  PHE   A HA   1 
ATOM   502  H  HB2  . PHE   A 1 33  ? 43.108 13.304  3.633   1.00 8.32  ?  33  PHE   A HB2  1 
ATOM   503  H  HB3  . PHE   A 1 33  ? 44.536 12.674  3.370   1.00 8.55  ?  33  PHE   A HB3  1 
ATOM   504  H  HD1  . PHE   A 1 33  ? 45.790 13.667  1.249   1.00 10.22 ?  33  PHE   A HD1  1 
ATOM   505  H  HD2  . PHE   A 1 33  ? 42.900 15.566  3.267   1.00 11.10 ?  33  PHE   A HD2  1 
ATOM   506  H  HE1  . PHE   A 1 33  ? 46.524 15.671  0.404   1.00 11.54 ?  33  PHE   A HE1  1 
ATOM   507  H  HE2  . PHE   A 1 33  ? 43.654 17.583  2.405   1.00 12.21 ?  33  PHE   A HE2  1 
ATOM   508  H  HZ   . PHE   A 1 33  ? 45.463 17.629  0.977   1.00 12.18 ?  33  PHE   A HZ   1 
ATOM   509  N  N    . LEU   A 1 34  ? 40.787 11.897  2.342   1.00 7.99  ?  34  LEU   A N    1 
ATOM   510  C  CA   . LEU   A 1 34  ? 39.374 12.057  2.085   1.00 8.15  ?  34  LEU   A CA   1 
ATOM   511  C  C    . LEU   A 1 34  ? 38.915 13.435  2.558   1.00 8.16  ?  34  LEU   A C    1 
ATOM   512  O  O    . LEU   A 1 34  ? 38.951 13.721  3.758   1.00 10.01 ?  34  LEU   A O    1 
ATOM   513  C  CB   . LEU   A 1 34  ? 38.611 10.983  2.844   1.00 8.21  ?  34  LEU   A CB   1 
ATOM   514  C  CG   . LEU   A 1 34  ? 37.139 10.795  2.508   1.00 8.39  ?  34  LEU   A CG   1 
ATOM   515  C  CD1  . LEU   A 1 34  ? 36.965 10.157  1.136   1.00 8.78  ?  34  LEU   A CD1  1 
ATOM   516  C  CD2  . LEU   A 1 34  ? 36.456 9.972   3.590   1.00 9.10  ?  34  LEU   A CD2  1 
ATOM   517  H  H    . LEU   A 1 34  ? 40.958 11.429  3.044   1.00 7.95  ?  34  LEU   A H    1 
ATOM   518  H  HA   . LEU   A 1 34  ? 39.191 11.962  1.128   1.00 8.23  ?  34  LEU   A HA   1 
ATOM   519  H  HB2  . LEU   A 1 34  ? 39.046 10.133  2.671   1.00 8.20  ?  34  LEU   A HB2  1 
ATOM   520  H  HB3  . LEU   A 1 34  ? 38.670 11.177  3.793   1.00 8.33  ?  34  LEU   A HB3  1 
ATOM   521  H  HG   . LEU   A 1 34  ? 36.711 11.663  2.491   1.00 8.34  ?  34  LEU   A HG   1 
ATOM   522  H  HD11 . LEU   A 1 34  ? 37.312 10.751  0.466   1.00 8.82  ?  34  LEU   A HD11 1 
ATOM   523  H  HD12 . LEU   A 1 34  ? 36.030 10.002  0.981   1.00 8.78  ?  34  LEU   A HD12 1 
ATOM   524  H  HD13 . LEU   A 1 34  ? 37.442 9.325   1.115   1.00 8.81  ?  34  LEU   A HD13 1 
ATOM   525  H  HD21 . LEU   A 1 34  ? 36.902 9.125   3.666   1.00 9.12  ?  34  LEU   A HD21 1 
ATOM   526  H  HD22 . LEU   A 1 34  ? 35.537 9.838   3.347   1.00 8.92  ?  34  LEU   A HD22 1 
ATOM   527  H  HD23 . LEU   A 1 34  ? 36.507 10.446  4.424   1.00 8.87  ?  34  LEU   A HD23 1 
ATOM   528  N  N    . ILE   A 1 35  ? 38.485 14.291  1.634   1.00 8.79  ?  35  ILE   A N    1 
ATOM   529  C  CA   . ILE   A 1 35  ? 38.031 15.655  1.969   1.00 9.81  ?  35  ILE   A CA   1 
ATOM   530  C  C    . ILE   A 1 35  ? 36.513 15.803  1.896   1.00 10.09 ?  35  ILE   A C    1 
ATOM   531  O  O    . ILE   A 1 35  ? 35.965 16.749  2.471   1.00 12.28 ?  35  ILE   A O    1 
ATOM   532  C  CB   . ILE   A 1 35  ? 38.757 16.753  1.175   1.00 10.94 ?  35  ILE   A CB   1 
ATOM   533  C  CG1  . ILE   A 1 35  ? 38.431 16.704  -0.308  1.00 11.25 ?  35  ILE   A CG1  1 
ATOM   534  C  CG2  . ILE   A 1 35  ? 40.247 16.689  1.506   1.00 11.61 ?  35  ILE   A CG2  1 
ATOM   535  C  CD1  . ILE   A 1 35  ? 38.806 17.971  -1.049  1.00 12.45 ?  35  ILE   A CD1  1 
ATOM   536  H  H    . ILE   A 1 35  ? 38.450 14.112  0.794   1.00 8.93  ?  35  ILE   A H    1 
ATOM   537  H  HA   . ILE   A 1 35  ? 38.259 15.825  2.906   1.00 9.94  ?  35  ILE   A HA   1 
ATOM   538  H  HB   . ILE   A 1 35  ? 38.431 17.604  1.506   1.00 10.84 ?  35  ILE   A HB   1 
ATOM   539  H  HG12 . ILE   A 1 35  ? 38.920 15.970  -0.711  1.00 11.26 ?  35  ILE   A HG12 1 
ATOM   540  H  HG13 . ILE   A 1 35  ? 37.479 16.570  -0.428  1.00 11.24 ?  35  ILE   A HG13 1 
ATOM   541  H  HG21 . ILE   A 1 35  ? 40.361 16.763  2.456   1.00 11.40 ?  35  ILE   A HG21 1 
ATOM   542  H  HG22 . ILE   A 1 35  ? 40.695 17.416  1.066   1.00 11.58 ?  35  ILE   A HG22 1 
ATOM   543  H  HG23 . ILE   A 1 35  ? 40.603 15.853  1.197   1.00 11.38 ?  35  ILE   A HG23 1 
ATOM   544  H  HD11 . ILE   A 1 35  ? 38.354 18.715  -0.643  1.00 12.14 ?  35  ILE   A HD11 1 
ATOM   545  H  HD12 . ILE   A 1 35  ? 38.538 17.885  -1.967  1.00 12.28 ?  35  ILE   A HD12 1 
ATOM   546  H  HD13 . ILE   A 1 35  ? 39.756 18.095  -0.995  1.00 12.31 ?  35  ILE   A HD13 1 
ATOM   547  N  N    . ARG   A 1 36  ? 35.844 14.899  1.178   1.00 10.01 ?  36  ARG   A N    1 
ATOM   548  C  CA   . ARG   A 1 36  ? 34.385 14.760  1.176   1.00 10.46 ?  36  ARG   A CA   1 
ATOM   549  C  C    . ARG   A 1 36  ? 34.117 13.281  1.162   1.00 9.42  ?  36  ARG   A C    1 
ATOM   550  O  O    . ARG   A 1 36  ? 35.013 12.501  0.821   1.00 8.70  ?  36  ARG   A O    1 
ATOM   551  C  CB   . ARG   A 1 36  ? 33.746 15.366  -0.071  1.00 13.40 ?  36  ARG   A CB   1 
ATOM   552  C  CG   . ARG   A 1 36  ? 33.917 16.853  -0.257  1.00 16.32 ?  36  ARG   A CG   1 
ATOM   553  C  CD   . ARG   A 1 36  ? 33.085 17.616  0.736   1.00 19.48 ?  36  ARG   A CD   1 
ATOM   554  N  NE   . ARG   A 1 36  ? 33.158 19.060  0.529   1.00 23.64 ?  36  ARG   A NE   1 
ATOM   555  C  CZ   . ARG   A 1 36  ? 34.130 19.848  0.982   1.00 25.28 ?  36  ARG   A CZ   1 
ATOM   556  N  NH1  . ARG   A 1 36  ? 35.173 19.351  1.646   1.00 27.35 ?  36  ARG   A NH1  1 
ATOM   557  N  NH2  . ARG   A 1 36  ? 34.071 21.157  0.736   1.00 28.21 ?  36  ARG   A NH2  1 
ATOM   558  H  H    . ARG   A 1 36  ? 36.226 14.340  0.650   1.00 9.58  ?  36  ARG   A H    1 
ATOM   559  H  HA   . ARG   A 1 36  ? 33.988 15.155  1.980   1.00 10.83 ?  36  ARG   A HA   1 
ATOM   560  H  HB2  . ARG   A 1 36  ? 34.127 14.933  -0.849  1.00 13.05 ?  36  ARG   A HB2  1 
ATOM   561  H  HB3  . ARG   A 1 36  ? 32.794 15.186  -0.042  1.00 13.33 ?  36  ARG   A HB3  1 
ATOM   562  H  HG2  . ARG   A 1 36  ? 34.848 17.092  -0.125  1.00 15.54 ?  36  ARG   A HG2  1 
ATOM   563  H  HG3  . ARG   A 1 36  ? 33.629 17.100  -1.149  1.00 16.15 ?  36  ARG   A HG3  1 
ATOM   564  H  HD2  . ARG   A 1 36  ? 32.158 17.353  0.632   1.00 19.00 ?  36  ARG   A HD2  1 
ATOM   565  H  HD3  . ARG   A 1 36  ? 33.381 17.412  1.637   1.00 18.87 ?  36  ARG   A HD3  1 
ATOM   566  H  HE   . ARG   A 1 36  ? 32.439 19.471  0.022   1.00 22.61 ?  36  ARG   A HE   1 
ATOM   567  H  HH11 . ARG   A 1 36  ? 35.230 18.511  1.815   1.00 25.80 ?  36  ARG   A HH11 1 
ATOM   568  H  HH12 . ARG   A 1 36  ? 35.794 19.878  1.923   1.00 26.56 ?  36  ARG   A HH12 1 
ATOM   569  H  HH21 . ARG   A 1 36  ? 33.407 21.487  0.301   1.00 28.13 ?  36  ARG   A HH21 1 
ATOM   570  H  HH22 . ARG   A 1 36  ? 34.700 21.676  1.012   1.00 29.00 ?  36  ARG   A HH22 1 
ATOM   571  N  N    . ARG   A 1 37  ? 32.896 12.839  1.457   1.00 9.46  ?  37  ARG   A N    1 
ATOM   572  C  CA   . ARG   A 1 37  ? 32.682 11.409  1.478   1.00 9.14  ?  37  ARG   A CA   1 
ATOM   573  C  C    . ARG   A 1 37  ? 32.950 10.722  0.130   1.00 9.53  ?  37  ARG   A C    1 
ATOM   574  O  O    . ARG   A 1 37  ? 33.264 9.550   0.118   1.00 9.82  ?  37  ARG   A O    1 
ATOM   575  C  CB   . ARG   A 1 37  ? 31.283 11.056  2.003   1.00 9.22  ?  37  ARG   A CB   1 
ATOM   576  C  CG   . ARG   A 1 37  ? 31.119 11.333  3.489   1.00 9.72  ?  37  ARG   A CG   1 
ATOM   577  C  CD   . ARG   A 1 37  ? 29.697 11.110  3.955   1.00 10.04 ?  37  ARG   A CD   1 
ATOM   578  N  NE   . ARG   A 1 37  ? 29.324 9.709   3.932   1.00 9.30  ?  37  ARG   A NE   1 
ATOM   579  C  CZ   . ARG   A 1 37  ? 28.158 9.227   4.364   1.00 9.40  ?  37  ARG   A CZ   1 
ATOM   580  N  NH1  . ARG   A 1 37  ? 27.227 10.064  4.826   1.00 10.17 ?  37  ARG   A NH1  1 
ATOM   581  N  NH2  . ARG   A 1 37  ? 27.911 7.943   4.325   1.00 10.13 ?  37  ARG   A NH2  1 
ATOM   582  H  H    . ARG   A 1 37  ? 32.212 13.328  1.638   1.00 9.40  ?  37  ARG   A H    1 
ATOM   583  H  HA   . ARG   A 1 37  ? 33.316 11.022  2.118   1.00 9.52  ?  37  ARG   A HA   1 
ATOM   584  H  HB2  . ARG   A 1 37  ? 30.622 11.581  1.524   1.00 9.63  ?  37  ARG   A HB2  1 
ATOM   585  H  HB3  . ARG   A 1 37  ? 31.123 10.111  1.859   1.00 9.39  ?  37  ARG   A HB3  1 
ATOM   586  H  HG2  . ARG   A 1 37  ? 31.698 10.737  3.989   1.00 10.22 ?  37  ARG   A HG2  1 
ATOM   587  H  HG3  . ARG   A 1 37  ? 31.356 12.256  3.670   1.00 9.72  ?  37  ARG   A HG3  1 
ATOM   588  H  HD2  . ARG   A 1 37  ? 29.610 11.434  4.865   1.00 9.88  ?  37  ARG   A HD2  1 
ATOM   589  H  HD3  . ARG   A 1 37  ? 29.094 11.592  3.367   1.00 10.37 ?  37  ARG   A HD3  1 
ATOM   590  H  HE   . ARG   A 1 37  ? 30.009 9.070   3.680   1.00 9.26  ?  37  ARG   A HE   1 
ATOM   591  H  HH11 . ARG   A 1 37  ? 27.372 10.910  4.863   1.00 10.02 ?  37  ARG   A HH11 1 
ATOM   592  H  HH12 . ARG   A 1 37  ? 26.472 9.756   5.099   1.00 9.98  ?  37  ARG   A HH12 1 
ATOM   593  H  HH21 . ARG   A 1 37  ? 28.504 7.398   4.022   1.00 9.53  ?  37  ARG   A HH21 1 
ATOM   594  H  HH22 . ARG   A 1 37  ? 27.152 7.640   4.593   1.00 9.87  ?  37  ARG   A HH22 1 
ATOM   595  N  N    . ASN   A 1 38  ? 32.855 11.456  -0.970  1.00 8.74  ?  38  ASN   A N    1 
ATOM   596  C  CA   . ASN   A 1 38  ? 33.183 10.915  -2.281  1.00 9.41  ?  38  ASN   A CA   1 
ATOM   597  C  C    . ASN   A 1 38  ? 34.317 11.644  -2.989  1.00 9.17  ?  38  ASN   A C    1 
ATOM   598  O  O    . ASN   A 1 38  ? 34.413 11.545  -4.200  1.00 8.99  ?  38  ASN   A O    1 
ATOM   599  C  CB   . ASN   A 1 38  ? 31.947 10.855  -3.192  1.00 10.81 ?  38  ASN   A CB   1 
ATOM   600  C  CG   . ASN   A 1 38  ? 31.358 12.204  -3.475  1.00 11.66 ?  38  ASN   A CG   1 
ATOM   601  O  OD1  . ASN   A 1 38  ? 31.670 13.185  -2.817  1.00 12.73 ?  38  ASN   A OD1  1 
ATOM   602  N  ND2  . ASN   A 1 38  ? 30.504 12.259  -4.496  1.00 13.85 ?  38  ASN   A ND2  1 
ATOM   603  H  H    . ASN   A 1 38  ? 32.597 12.275  -0.988  1.00 9.00  ?  38  ASN   A H    1 
ATOM   604  H  HA   . ASN   A 1 38  ? 33.486 9.989   -2.174  1.00 9.45  ?  38  ASN   A HA   1 
ATOM   605  H  HB2  . ASN   A 1 38  ? 32.189 10.447  -4.038  1.00 10.42 ?  38  ASN   A HB2  1 
ATOM   606  H  HB3  . ASN   A 1 38  ? 31.266 10.319  -2.758  1.00 10.99 ?  38  ASN   A HB3  1 
ATOM   607  H  HD21 . ASN   A 1 38  ? 30.109 13.117  -4.756  1.00 12.99 ?  38  ASN   A HD21 1 
ATOM   608  H  HD22 . ASN   A 1 38  ? 30.269 11.444  -4.987  1.00 13.19 ?  38  ASN   A HD22 1 
ATOM   609  N  N    . PHE   A 1 39  ? 35.205 12.328  -2.265  1.00 8.46  ?  39  PHE   A N    1 
ATOM   610  C  CA   . PHE   A 1 39  ? 36.389 12.926  -2.900  1.00 8.74  ?  39  PHE   A CA   1 
ATOM   611  C  C    . PHE   A 1 39  ? 37.644 12.742  -2.065  1.00 8.53  ?  39  PHE   A C    1 
ATOM   612  O  O    . PHE   A 1 39  ? 37.693 13.061  -0.875  1.00 9.01  ?  39  PHE   A O    1 
ATOM   613  C  CB   . PHE   A 1 39  ? 36.213 14.417  -3.158  1.00 10.36 ?  39  PHE   A CB   1 
ATOM   614  C  CG   . PHE   A 1 39  ? 35.493 14.732  -4.434  1.00 11.69 ?  39  PHE   A CG   1 
ATOM   615  C  CD1  . PHE   A 1 39  ? 36.180 14.802  -5.650  1.00 13.46 ?  39  PHE   A CD1  1 
ATOM   616  C  CD2  . PHE   A 1 39  ? 34.107 14.944  -4.425  1.00 14.18 ?  39  PHE   A CD2  1 
ATOM   617  C  CE1  . PHE   A 1 39  ? 35.497 15.104  -6.824  1.00 16.07 ?  39  PHE   A CE1  1 
ATOM   618  C  CE2  . PHE   A 1 39  ? 33.437 15.248  -5.594  1.00 15.54 ?  39  PHE   A CE2  1 
ATOM   619  C  CZ   . PHE   A 1 39  ? 34.136 15.306  -6.779  1.00 15.39 ?  39  PHE   A CZ   1 
ATOM   620  H  H    . PHE   A 1 39  ? 35.152 12.463  -1.417  1.00 8.77  ?  39  PHE   A H    1 
ATOM   621  H  HA   . PHE   A 1 39  ? 36.536 12.497  -3.764  1.00 8.86  ?  39  PHE   A HA   1 
ATOM   622  H  HB2  . PHE   A 1 39  ? 35.709 14.805  -2.427  1.00 10.39 ?  39  PHE   A HB2  1 
ATOM   623  H  HB3  . PHE   A 1 39  ? 37.087 14.836  -3.208  1.00 10.48 ?  39  PHE   A HB3  1 
ATOM   624  H  HD1  . PHE   A 1 39  ? 37.099 14.661  -5.671  1.00 13.45 ?  39  PHE   A HD1  1 
ATOM   625  H  HD2  . PHE   A 1 39  ? 33.639 14.903  -3.622  1.00 13.92 ?  39  PHE   A HD2  1 
ATOM   626  H  HE1  . PHE   A 1 39  ? 35.953 15.151  -7.634  1.00 15.36 ?  39  PHE   A HE1  1 
ATOM   627  H  HE2  . PHE   A 1 39  ? 32.518 15.388  -5.585  1.00 14.91 ?  39  PHE   A HE2  1 
ATOM   628  H  HZ   . PHE   A 1 39  ? 33.681 15.507  -7.565  1.00 13.81 ?  39  PHE   A HZ   1 
ATOM   629  N  N    . VAL   A 1 40  ? 38.685 12.260  -2.746  1.00 8.47  ?  40  VAL   A N    1 
ATOM   630  C  CA   . VAL   A 1 40  ? 40.029 12.123  -2.204  1.00 7.75  ?  40  VAL   A CA   1 
ATOM   631  C  C    . VAL   A 1 40  ? 40.956 13.104  -2.913  1.00 8.08  ?  40  VAL   A C    1 
ATOM   632  O  O    . VAL   A 1 40  ? 40.952 13.188  -4.139  1.00 8.93  ?  40  VAL   A O    1 
ATOM   633  C  CB   . VAL   A 1 40  ? 40.531 10.679  -2.390  1.00 7.94  ?  40  VAL   A CB   1 
ATOM   634  C  CG1  . VAL   A 1 40  ? 42.002 10.539  -2.036  1.00 8.65  ?  40  VAL   A CG1  1 
ATOM   635  C  CG2  . VAL   A 1 40  ? 39.720 9.724   -1.532  1.00 9.33  ?  40  VAL   A CG2  1 
ATOM   636  H  H    . VAL   A 1 40  ? 38.636 11.993  -3.563  1.00 8.42  ?  40  VAL   A H    1 
ATOM   637  H  HA   . VAL   A 1 40  ? 40.024 12.321  -1.246  1.00 7.91  ?  40  VAL   A HA   1 
ATOM   638  H  HB   . VAL   A 1 40  ? 40.417 10.417  -3.326  1.00 8.22  ?  40  VAL   A HB   1 
ATOM   639  H  HG11 . VAL   A 1 40  ? 42.537 10.958  -2.715  1.00 8.76  ?  40  VAL   A HG11 1 
ATOM   640  H  HG12 . VAL   A 1 40  ? 42.225 9.605   -1.983  1.00 8.62  ?  40  VAL   A HG12 1 
ATOM   641  H  HG13 . VAL   A 1 40  ? 42.160 10.960  -1.186  1.00 8.64  ?  40  VAL   A HG13 1 
ATOM   642  H  HG21 . VAL   A 1 40  ? 39.807 9.983   -0.611  1.00 9.02  ?  40  VAL   A HG21 1 
ATOM   643  H  HG22 . VAL   A 1 40  ? 40.054 8.832   -1.654  1.00 9.07  ?  40  VAL   A HG22 1 
ATOM   644  H  HG23 . VAL   A 1 40  ? 38.799 9.766   -1.799  1.00 9.15  ?  40  VAL   A HG23 1 
ATOM   645  N  N    . LEU   A 1 41  ? 41.734 13.834  -2.127  1.00 8.17  ?  41  LEU   A N    1 
ATOM   646  C  CA   . LEU   A 1 41  ? 42.728 14.742  -2.634  1.00 8.42  ?  41  LEU   A CA   1 
ATOM   647  C  C    . LEU   A 1 41  ? 44.070 14.008  -2.630  1.00 7.98  ?  41  LEU   A C    1 
ATOM   648  O  O    . LEU   A 1 41  ? 44.405 13.290  -1.687  1.00 8.46  ?  41  LEU   A O    1 
ATOM   649  C  CB   . LEU   A 1 41  ? 42.767 15.983  -1.742  1.00 9.65  ?  41  LEU   A CB   1 
ATOM   650  C  CG   . LEU   A 1 41  ? 43.569 17.189  -2.206  1.00 11.00 ?  41  LEU   A CG   1 
ATOM   651  C  CD1  . LEU   A 1 41  ? 43.248 17.629  -3.624  1.00 10.85 ?  41  LEU   A CD1  1 
ATOM   652  C  CD2  . LEU   A 1 41  ? 43.286 18.334  -1.235  1.00 11.72 ?  41  LEU   A CD2  1 
ATOM   653  H  H    . LEU   A 1 41  ? 41.700 13.813  -1.268  1.00 8.26  ?  41  LEU   A H    1 
ATOM   654  H  HA   . LEU   A 1 41  ? 42.508 15.013  -3.549  1.00 8.61  ?  41  LEU   A HA   1 
ATOM   655  H  HB2  . LEU   A 1 41  ? 41.852 16.283  -1.618  1.00 9.82  ?  41  LEU   A HB2  1 
ATOM   656  H  HB3  . LEU   A 1 41  ? 43.130 15.719  -0.882  1.00 9.53  ?  41  LEU   A HB3  1 
ATOM   657  H  HG   . LEU   A 1 41  ? 44.515 16.980  -2.160  1.00 10.69 ?  41  LEU   A HG   1 
ATOM   658  H  HD11 . LEU   A 1 41  ? 43.583 16.973  -4.238  1.00 10.47 ?  41  LEU   A HD11 1 
ATOM   659  H  HD12 . LEU   A 1 41  ? 43.669 18.474  -3.790  1.00 10.54 ?  41  LEU   A HD12 1 
ATOM   660  H  HD13 . LEU   A 1 41  ? 42.296 17.713  -3.718  1.00 10.90 ?  41  LEU   A HD13 1 
ATOM   661  H  HD21 . LEU   A 1 41  ? 42.368 18.601  -1.328  1.00 11.50 ?  41  LEU   A HD21 1 
ATOM   662  H  HD22 . LEU   A 1 41  ? 43.863 19.073  -1.445  1.00 11.44 ?  41  LEU   A HD22 1 
ATOM   663  H  HD23 . LEU   A 1 41  ? 43.448 18.036  -0.338  1.00 11.49 ?  41  LEU   A HD23 1 
ATOM   664  N  N    . THR   A 1 42  ? 44.834 14.193  -3.701  1.00 8.06  ?  42  THR   A N    1 
ATOM   665  C  CA   . THR   A 1 42  ? 46.124 13.533  -3.867  1.00 7.73  ?  42  THR   A CA   1 
ATOM   666  C  C    . THR   A 1 42  ? 46.977 14.347  -4.848  1.00 7.35  ?  42  THR   A C    1 
ATOM   667  O  O    . THR   A 1 42  ? 46.629 15.488  -5.175  1.00 8.39  ?  42  THR   A O    1 
ATOM   668  C  CB   . THR   A 1 42  ? 45.926 12.061  -4.290  1.00 7.97  ?  42  THR   A CB   1 
ATOM   669  O  OG1  . THR   A 1 42  ? 47.163 11.340  -4.299  1.00 7.74  ?  42  THR   A OG1  1 
ATOM   670  C  CG2  . THR   A 1 42  ? 45.257 11.942  -5.644  1.00 8.13  ?  42  THR   A CG2  1 
ATOM   671  H  H    . THR   A 1 42  ? 44.620 14.704  -4.360  1.00 7.87  ?  42  THR   A H    1 
ATOM   672  H  HA   . THR   A 1 42  ? 46.595 13.532  -3.007  1.00 8.01  ?  42  THR   A HA   1 
ATOM   673  H  HB   . THR   A 1 42  ? 45.338 11.637  -3.645  1.00 7.96  ?  42  THR   A HB   1 
ATOM   674  H  HG1  . THR   A 1 42  ? 47.039 10.564  -4.524  0.00 7.88  ?  42  THR   A HG1  1 
ATOM   675  H  HG21 . THR   A 1 42  ? 44.426 12.421  -5.646  1.00 8.33  ?  42  THR   A HG21 1 
ATOM   676  H  HG22 . THR   A 1 42  ? 45.082 11.018  -5.838  1.00 8.09  ?  42  THR   A HG22 1 
ATOM   677  H  HG23 . THR   A 1 42  ? 45.826 12.298  -6.330  1.00 8.05  ?  42  THR   A HG23 1 
ATOM   678  N  N    . ALA   A 1 43  ? 48.075 13.753  -5.285  1.00 7.88  ?  43  ALA   A N    1 
ATOM   679  C  CA   . ALA   A 1 43  ? 48.964 14.369  -6.265  1.00 7.75  ?  43  ALA   A CA   1 
ATOM   680  C  C    . ALA   A 1 43  ? 48.605 13.958  -7.688  1.00 8.14  ?  43  ALA   A C    1 
ATOM   681  O  O    . ALA   A 1 43  ? 48.286 12.812  -7.940  1.00 8.67  ?  43  ALA   A O    1 
ATOM   682  C  CB   . ALA   A 1 43  ? 50.396 13.960  -5.983  1.00 8.22  ?  43  ALA   A CB   1 
ATOM   683  H  H    . ALA   A 1 43  ? 48.338 12.977  -5.024  1.00 7.79  ?  43  ALA   A H    1 
ATOM   684  H  HA   . ALA   A 1 43  ? 48.912 15.345  -6.198  1.00 7.87  ?  43  ALA   A HA   1 
ATOM   685  H  HB1  . ALA   A 1 43  ? 50.649 14.294  -5.119  1.00 8.23  ?  43  ALA   A HB1  1 
ATOM   686  H  HB2  . ALA   A 1 43  ? 50.969 14.331  -6.657  1.00 7.94  ?  43  ALA   A HB2  1 
ATOM   687  H  HB3  . ALA   A 1 43  ? 50.455 13.004  -5.992  1.00 8.33  ?  43  ALA   A HB3  1 
ATOM   688  N  N    . ALA   A 1 44  ? 48.709 14.894  -8.629  1.00 8.24  ?  44  ALA   A N    1 
ATOM   689  C  CA   . ALA   A 1 44  ? 48.474 14.611  -10.033 1.00 8.16  ?  44  ALA   A CA   1 
ATOM   690  C  C    . ALA   A 1 44  ? 49.398 13.562  -10.618 1.00 8.23  ?  44  ALA   A C    1 
ATOM   691  O  O    . ALA   A 1 44  ? 48.993 12.841  -11.533 1.00 8.70  ?  44  ALA   A O    1 
ATOM   692  C  CB   . ALA   A 1 44  ? 48.575 15.878  -10.869 1.00 9.82  ?  44  ALA   A CB   1 
ATOM   693  H  H    . ALA   A 1 44  ? 48.920 15.709  -8.468  1.00 8.14  ?  44  ALA   A H    1 
ATOM   694  H  HA   . ALA   A 1 44  ? 47.562 14.270  -10.129 1.00 8.19  ?  44  ALA   A HA   1 
ATOM   695  H  HB1  . ALA   A 1 44  ? 47.775 16.396  -10.756 1.00 9.74  ?  44  ALA   A HB1  1 
ATOM   696  H  HB2  . ALA   A 1 44  ? 48.686 15.639  -11.793 1.00 9.73  ?  44  ALA   A HB2  1 
ATOM   697  H  HB3  . ALA   A 1 44  ? 49.338 16.383  -10.579 1.00 9.36  ?  44  ALA   A HB3  1 
ATOM   698  N  N    . HIS   A 1 45  ? 50.638 13.480  -10.155 1.00 8.71  ?  45  HIS   A N    1 
ATOM   699  C  CA   . HIS   A 1 45  ? 51.553 12.497  -10.721 1.00 9.51  ?  45  HIS   A CA   1 
ATOM   700  C  C    . HIS   A 1 45  ? 51.170 11.072  -10.325 1.00 9.50  ?  45  HIS   A C    1 
ATOM   701  O  O    . HIS   A 1 45  ? 51.758 10.122  -10.822 1.00 10.32 ?  45  HIS   A O    1 
ATOM   702  C  CB   . HIS   A 1 45  ? 53.015 12.824  -10.420 1.00 9.60  ?  45  HIS   A CB   1 
ATOM   703  C  CG   . HIS   A 1 45  ? 53.484 12.425  -9.061  1.00 8.86  ?  45  HIS   A CG   1 
ATOM   704  N  ND1  . HIS   A 1 45  ? 53.681 13.323  -8.036  1.00 9.29  ?  45  HIS   A ND1  1 
ATOM   705  C  CD2  . HIS   A 1 45  ? 53.915 11.235  -8.599  1.00 9.67  ?  45  HIS   A CD2  1 
ATOM   706  C  CE1  . HIS   A 1 45  ? 54.182 12.698  -6.994  1.00 9.49  ?  45  HIS   A CE1  1 
ATOM   707  N  NE2  . HIS   A 1 45  ? 54.357 11.431  -7.316  1.00 10.74 ?  45  HIS   A NE2  1 
ATOM   708  H  H    . HIS   A 1 45  ? 50.970 13.968  -9.529  1.00 8.71  ?  45  HIS   A H    1 
ATOM   709  H  HA   . HIS   A 1 45  ? 51.473 12.540  -11.697 1.00 9.39  ?  45  HIS   A HA   1 
ATOM   710  H  HB2  . HIS   A 1 45  ? 53.575 12.372  -11.070 1.00 9.25  ?  45  HIS   A HB2  1 
ATOM   711  H  HB3  . HIS   A 1 45  ? 53.138 13.783  -10.492 1.00 9.65  ?  45  HIS   A HB3  1 
ATOM   712  H  HD1  . HIS   A 1 45  ? 53.504 14.160  -8.072  1.00 9.15  ?  45  HIS   A HD1  1 
ATOM   713  H  HD2  . HIS   A 1 45  ? 53.938 10.435  -9.073  1.00 9.34  ?  45  HIS   A HD2  1 
ATOM   714  H  HE1  . HIS   A 1 45  ? 54.370 13.085  -6.174  1.00 9.54  ?  45  HIS   A HE1  1 
ATOM   715  H  HE2  . HIS   A 1 45  ? 54.637 10.816  -6.785  1.00 9.97  ?  45  HIS   A HE2  1 
ATOM   716  N  N    . CYS   A 1 46  ? 50.184 10.930  -9.434  1.00 9.08  ?  46  CYS   A N    1 
ATOM   717  C  CA   . CYS   A 1 46  ? 49.627 9.632   -9.067  1.00 10.07 ?  46  CYS   A CA   1 
ATOM   718  C  C    . CYS   A 1 46  ? 48.494 9.181   -9.983  1.00 10.35 ?  46  CYS   A C    1 
ATOM   719  O  O    . CYS   A 1 46  ? 47.864 8.160   -9.705  1.00 11.13 ?  46  CYS   A O    1 
ATOM   720  C  CB   . CYS   A 1 46  ? 49.148 9.660   -7.610  1.00 9.92  ?  46  CYS   A CB   1 
ATOM   721  S  SG   . CYS   A 1 46  ? 50.440 10.052  -6.416  1.00 11.35 ?  46  CYS   A SG   1 
ATOM   722  H  H    . CYS   A 1 46  ? 49.822 11.577  -9.003  1.00 9.34  ?  46  CYS   A H    1 
ATOM   723  H  HA   . CYS   A 1 46  ? 50.333 8.955   -9.122  1.00 10.12 ?  46  CYS   A HA   1 
ATOM   724  H  HB2  . CYS   A 1 46  ? 48.445 10.320  -7.520  1.00 10.20 ?  46  CYS   A HB2  1 
ATOM   725  H  HB3  . CYS   A 1 46  ? 48.802 8.784   -7.380  1.00 10.03 ?  46  CYS   A HB3  1 
ATOM   726  H  HG   . CYS   A 1 46  ? 51.133 11.108  -6.867  1.00 10.59 ?  46  CYS   A HG   1 
ATOM   727  N  N    . ALA   A 1 47  ? 48.205 9.943   -11.038 1.00 9.24  ?  47  ALA   A N    1 
ATOM   728  C  CA   . ALA   A 1 47  ? 47.152 9.566   -11.975 1.00 9.60  ?  47  ALA   A CA   1 
ATOM   729  C  C    . ALA   A 1 47  ? 47.532 8.282   -12.712 1.00 10.05 ?  47  ALA   A C    1 
ATOM   730  O  O    . ALA   A 1 47  ? 48.692 7.928   -12.882 1.00 10.81 ?  47  ALA   A O    1 
ATOM   731  C  CB   . ALA   A 1 47  ? 46.906 10.684  -12.956 1.00 10.56 ?  47  ALA   A CB   1 
ATOM   732  H  H    . ALA   A 1 47  ? 48.595 10.682  -11.235 1.00 9.42  ?  47  ALA   A H    1 
ATOM   733  H  HA   . ALA   A 1 47  ? 46.320 9.401   -11.485 1.00 9.79  ?  47  ALA   A HA   1 
ATOM   734  H  HB1  . ALA   A 1 47  ? 46.704 11.486  -12.469 1.00 10.57 ?  47  ALA   A HB1  1 
ATOM   735  H  HB2  . ALA   A 1 47  ? 46.167 10.448  -13.520 1.00 10.33 ?  47  ALA   A HB2  1 
ATOM   736  H  HB3  . ALA   A 1 47  ? 47.696 10.813  -13.486 1.00 10.72 ?  47  ALA   A HB3  1 
ATOM   737  N  N    . GLY   A 1 48  ? 46.515 7.559   -13.153 1.00 10.02 ?  48  GLY   A N    1 
ATOM   738  C  CA   . GLY   A 1 48  ? 46.776 6.359   -13.934 1.00 11.42 ?  48  GLY   A CA   1 
ATOM   739  C  C    . GLY   A 1 48  ? 45.546 5.984   -14.736 1.00 9.64  ?  48  GLY   A C    1 
ATOM   740  O  O    . GLY   A 1 48  ? 44.592 6.751   -14.845 1.00 10.91 ?  48  GLY   A O    1 
ATOM   741  H  H    . GLY   A 1 48  ? 45.684 7.735   -13.016 1.00 10.18 ?  48  GLY   A H    1 
ATOM   742  H  HA2  . GLY   A 1 48  ? 47.509 6.507   -14.553 1.00 11.15 ?  48  GLY   A HA2  1 
ATOM   743  H  HA3  . GLY   A 1 48  ? 47.004 5.622   -13.347 1.00 11.29 ?  48  GLY   A HA3  1 
ATOM   744  N  N    . ARG   A 1 49  ? 45.589 4.786   -15.300 1.00 9.91  ?  49  ARG   A N    1 
ATOM   745  C  CA   . ARG   A 1 49  ? 44.454 4.286   -16.053 1.00 10.06 ?  49  ARG   A CA   1 
ATOM   746  C  C    . ARG   A 1 49  ? 43.275 4.024   -15.127 1.00 10.82 ?  49  ARG   A C    1 
ATOM   747  O  O    . ARG   A 1 49  ? 42.120 4.239   -15.482 1.00 11.98 ?  49  ARG   A O    1 
ATOM   748  C  CB   . ARG   A 1 49  ? 44.846 3.030   -16.812 1.00 10.29 ?  49  ARG   A CB   1 
ATOM   749  C  CG   . ARG   A 1 49  ? 43.756 2.398   -17.641 1.00 11.23 ?  49  ARG   A CG   1 
ATOM   750  C  CD   . ARG   A 1 49  ? 43.143 3.382   -18.619 1.00 11.98 ?  49  ARG   A CD   1 
ATOM   751  N  NE   . ARG   A 1 49  ? 42.033 2.765   -19.348 1.00 13.10 ?  49  ARG   A NE   1 
ATOM   752  C  CZ   . ARG   A 1 49  ? 40.792 2.678   -18.885 1.00 13.48 ?  49  ARG   A CZ   1 
ATOM   753  N  NH1  . ARG   A 1 49  ? 40.474 3.180   -17.698 1.00 12.92 ?  49  ARG   A NH1  1 
ATOM   754  N  NH2  . ARG   A 1 49  ? 39.873 2.088   -19.634 1.00 14.48 ?  49  ARG   A NH2  1 
ATOM   755  H  H    . ARG   A 1 49  ? 46.261 4.250   -15.259 1.00 10.09 ?  49  ARG   A H    1 
ATOM   756  H  HA   . ARG   A 1 49  ? 44.188 4.970   -16.702 1.00 10.40 ?  49  ARG   A HA   1 
ATOM   757  H  HB2  . ARG   A 1 49  ? 45.577 3.250   -17.411 1.00 10.74 ?  49  ARG   A HB2  1 
ATOM   758  H  HB3  . ARG   A 1 49  ? 45.144 2.365   -16.171 1.00 10.79 ?  49  ARG   A HB3  1 
ATOM   759  H  HG2  . ARG   A 1 49  ? 44.136 1.667   -18.154 1.00 11.16 ?  49  ARG   A HG2  1 
ATOM   760  H  HG3  . ARG   A 1 49  ? 43.054 2.065   -17.061 1.00 11.45 ?  49  ARG   A HG3  1 
ATOM   761  H  HD2  . ARG   A 1 49  ? 42.814 4.167   -18.157 1.00 11.81 ?  49  ARG   A HD2  1 
ATOM   762  H  HD3  . ARG   A 1 49  ? 43.816 3.641   -19.267 1.00 12.16 ?  49  ARG   A HD3  1 
ATOM   763  H  HE   . ARG   A 1 49  ? 42.219 2.414   -20.233 1.00 12.86 ?  49  ARG   A HE   1 
ATOM   764  H  HH11 . ARG   A 1 49  ? 41.062 3.562   -17.203 1.00 12.53 ?  49  ARG   A HH11 1 
ATOM   765  H  HH12 . ARG   A 1 49  ? 39.664 3.117   -17.413 1.00 12.80 ?  49  ARG   A HH12 1 
ATOM   766  H  HH21 . ARG   A 1 49  ? 40.080 1.767   -20.404 1.00 13.93 ?  49  ARG   A HH21 1 
ATOM   767  H  HH22 . ARG   A 1 49  ? 39.062 2.028   -19.352 1.00 14.14 ?  49  ARG   A HH22 1 
ATOM   768  N  N    . SER   A 1 50  ? 43.573 3.536   -13.931 1.00 10.74 ?  50  SER   A N    1 
ATOM   769  C  CA   . SER   A 1 50  ? 42.549 3.348   -12.929 1.00 12.43 ?  50  SER   A CA   1 
ATOM   770  C  C    . SER   A 1 50  ? 43.240 3.342   -11.577 1.00 11.33 ?  50  SER   A C    1 
ATOM   771  O  O    . SER   A 1 50  ? 44.428 3.090   -11.483 1.00 12.49 ?  50  SER   A O    1 
ATOM   772  C  CB   . SER   A 1 50  ? 41.766 2.077   -13.195 1.00 14.75 ?  50  SER   A CB   1 
ATOM   773  O  OG   . SER   A 1 50  ? 42.593 0.958   -13.170 1.00 15.94 ?  50  SER   A OG   1 
ATOM   774  H  H    . SER   A 1 50  ? 44.361 3.296   -13.683 1.00 11.02 ?  50  SER   A H    1 
ATOM   775  H  HA   . SER   A 1 50  ? 41.929 4.105   -12.950 1.00 12.46 ?  50  SER   A HA   1 
ATOM   776  H  HB2  . SER   A 1 50  ? 41.087 1.979   -12.509 1.00 14.08 ?  50  SER   A HB2  1 
ATOM   777  H  HB3  . SER   A 1 50  ? 41.345 2.138   -14.067 1.00 13.96 ?  50  SER   A HB3  1 
ATOM   778  H  HG   . SER   A 1 50  ? 42.136 0.272   -13.318 0.00 14.79 ?  50  SER   A HG   1 
ATOM   779  N  N    . ILE   A 1 51  ? 42.461 3.669   -10.560 1.00 10.47 ?  51  ILE   A N    1 
ATOM   780  C  CA   . ILE   A 1 51  ? 42.980 3.798   -9.207  1.00 9.91  ?  51  ILE   A CA   1 
ATOM   781  C  C    . ILE   A 1 51  ? 41.993 3.148   -8.258  1.00 10.45 ?  51  ILE   A C    1 
ATOM   782  O  O    . ILE   A 1 51  ? 40.798 3.317   -8.402  1.00 11.17 ?  51  ILE   A O    1 
ATOM   783  C  CB   . ILE   A 1 51  ? 43.141 5.279   -8.827  1.00 9.88  ?  51  ILE   A CB   1 
ATOM   784  C  CG1  . ILE   A 1 51  ? 44.166 5.942   -9.749  1.00 10.61 ?  51  ILE   A CG1  1 
ATOM   785  C  CG2  . ILE   A 1 51  ? 43.538 5.445   -7.364  1.00 9.40  ?  51  ILE   A CG2  1 
ATOM   786  C  CD1  . ILE   A 1 51  ? 44.324 7.432   -9.511  1.00 11.78 ?  51  ILE   A CD1  1 
ATOM   787  H  H    . ILE   A 1 51  ? 41.618 3.827   -10.628 1.00 10.57 ?  51  ILE   A H    1 
ATOM   788  H  HA   . ILE   A 1 51  ? 43.848 3.354   -9.125  1.00 10.30 ?  51  ILE   A HA   1 
ATOM   789  H  HB   . ILE   A 1 51  ? 42.286 5.719   -8.959  1.00 9.90  ?  51  ILE   A HB   1 
ATOM   790  H  HG12 . ILE   A 1 51  ? 45.029 5.522   -9.614  1.00 10.75 ?  51  ILE   A HG12 1 
ATOM   791  H  HG13 . ILE   A 1 51  ? 43.886 5.833   -10.670 1.00 10.69 ?  51  ILE   A HG13 1 
ATOM   792  H  HG21 . ILE   A 1 51  ? 42.861 5.065   -6.800  1.00 9.47  ?  51  ILE   A HG21 1 
ATOM   793  H  HG22 . ILE   A 1 51  ? 43.626 6.378   -7.160  1.00 9.46  ?  51  ILE   A HG22 1 
ATOM   794  H  HG23 . ILE   A 1 51  ? 44.375 4.998   -7.217  1.00 9.70  ?  51  ILE   A HG23 1 
ATOM   795  H  HD11 . ILE   A 1 51  ? 43.453 7.834   -9.456  1.00 11.43 ?  51  ILE   A HD11 1 
ATOM   796  H  HD12 . ILE   A 1 51  ? 44.815 7.812   -10.244 1.00 11.21 ?  51  ILE   A HD12 1 
ATOM   797  H  HD13 . ILE   A 1 51  ? 44.805 7.574   -8.691  1.00 11.61 ?  51  ILE   A HD13 1 
ATOM   798  N  N    . THR   A 1 52  ? 42.521 2.402   -7.292  1.00 10.59 ?  52  THR   A N    1 
ATOM   799  C  CA   A THR   A 1 52  ? 41.716 1.864   -6.182  0.50 11.47 ?  52  THR   A CA   1 
ATOM   800  C  CA   B THR   A 1 52  ? 41.675 1.943   -6.191  0.50 11.65 ?  52  THR   A CA   1 
ATOM   801  C  C    . THR   A 1 52  ? 42.102 2.622   -4.913  1.00 9.98  ?  52  THR   A C    1 
ATOM   802  O  O    . THR   A 1 52  ? 43.294 2.859   -4.665  1.00 11.36 ?  52  THR   A O    1 
ATOM   803  C  CB   A THR   A 1 52  ? 41.966 0.360   -5.927  0.50 12.31 ?  52  THR   A CB   1 
ATOM   804  C  CB   B THR   A 1 52  ? 41.750 0.440   -5.987  0.50 13.17 ?  52  THR   A CB   1 
ATOM   805  O  OG1  A THR   A 1 52  ? 41.863 -0.376  -7.156  0.50 14.95 ?  52  THR   A OG1  1 
ATOM   806  O  OG1  B THR   A 1 52  ? 43.124 0.058   -5.818  0.50 18.30 ?  52  THR   A OG1  1 
ATOM   807  C  CG2  A THR   A 1 52  ? 40.936 -0.182  -4.922  0.50 13.18 ?  52  THR   A CG2  1 
ATOM   808  C  CG2  B THR   A 1 52  ? 41.116 -0.254  -7.186  0.50 11.85 ?  52  THR   A CG2  1 
ATOM   809  H  H    . THR   A 1 52  ? 43.347 2.169   -7.246  1.00 10.82 ?  52  THR   A H    1 
ATOM   810  H  HA   A THR   A 1 52  ? 40.760 1.993   -6.354  0.50 11.25 ?  52  THR   A HA   1 
ATOM   811  H  HA   B THR   A 1 52  ? 40.738 2.171   -6.365  0.50 11.35 ?  52  THR   A HA   1 
ATOM   812  H  HB   A THR   A 1 52  ? 42.852 0.237   -5.553  0.50 12.34 ?  52  THR   A HB   1 
ATOM   813  H  HB   B THR   A 1 52  ? 41.248 0.196   -5.194  0.50 12.94 ?  52  THR   A HB   1 
ATOM   814  H  HG1  A THR   A 1 52  ? 41.983 -1.180  -7.004  0.00 13.23 ?  52  THR   A HG1  1 
ATOM   815  H  HG1  B THR   A 1 52  ? 43.162 -0.768  -5.674  0.00 14.41 ?  52  THR   A HG1  1 
ATOM   816  H  HG21 A THR   A 1 52  ? 41.232 -0.008  -4.022  0.50 12.98 ?  52  THR   A HG21 1 
ATOM   817  H  HG21 B THR   A 1 52  ? 40.174 -0.077  -7.193  0.50 12.29 ?  52  THR   A HG21 1 
ATOM   818  H  HG22 A THR   A 1 52  ? 40.829 -1.131  -5.041  0.50 13.16 ?  52  THR   A HG22 1 
ATOM   819  H  HG22 B THR   A 1 52  ? 41.255 -1.203  -7.129  0.50 12.30 ?  52  THR   A HG22 1 
ATOM   820  H  HG23 A THR   A 1 52  ? 40.088 0.252   -5.061  0.50 13.30 ?  52  THR   A HG23 1 
ATOM   821  H  HG23 B THR   A 1 52  ? 41.497 0.070   -8.004  0.50 12.37 ?  52  THR   A HG23 1 
ATOM   822  N  N    . VAL   A 1 53  ? 41.114 2.993   -4.124  1.00 9.35  ?  53  VAL   A N    1 
ATOM   823  C  CA   . VAL   A 1 53  ? 41.319 3.700   -2.865  1.00 8.96  ?  53  VAL   A CA   1 
ATOM   824  C  C    . VAL   A 1 53  ? 40.947 2.774   -1.732  1.00 8.74  ?  53  VAL   A C    1 
ATOM   825  O  O    . VAL   A 1 53  ? 39.841 2.212   -1.717  1.00 10.09 ?  53  VAL   A O    1 
ATOM   826  C  CB   . VAL   A 1 53  ? 40.432 4.946   -2.810  1.00 10.72 ?  53  VAL   A CB   1 
ATOM   827  C  CG1  . VAL   A 1 53  ? 40.422 5.563   -1.430  1.00 12.23 ?  53  VAL   A CG1  1 
ATOM   828  C  CG2  . VAL   A 1 53  ? 40.905 5.976   -3.821  1.00 12.06 ?  53  VAL   A CG2  1 
ATOM   829  H  H    . VAL   A 1 53  ? 40.283 2.844   -4.289  1.00 9.44  ?  53  VAL   A H    1 
ATOM   830  H  HA   . VAL   A 1 53  ? 42.253 3.978   -2.766  1.00 9.18  ?  53  VAL   A HA   1 
ATOM   831  H  HB   . VAL   A 1 53  ? 39.512 4.697   -3.037  1.00 10.61 ?  53  VAL   A HB   1 
ATOM   832  H  HG11 . VAL   A 1 53  ? 39.888 5.024   -0.841  1.00 11.82 ?  53  VAL   A HG11 1 
ATOM   833  H  HG12 . VAL   A 1 53  ? 40.047 6.446   -1.484  1.00 11.57 ?  53  VAL   A HG12 1 
ATOM   834  H  HG13 . VAL   A 1 53  ? 41.326 5.611   -1.104  1.00 11.70 ?  53  VAL   A HG13 1 
ATOM   835  H  HG21 . VAL   A 1 53  ? 41.814 6.215   -3.622  1.00 11.91 ?  53  VAL   A HG21 1 
ATOM   836  H  HG22 . VAL   A 1 53  ? 40.344 6.753   -3.766  1.00 11.44 ?  53  VAL   A HG22 1 
ATOM   837  H  HG23 . VAL   A 1 53  ? 40.852 5.599   -4.702  1.00 11.87 ?  53  VAL   A HG23 1 
ATOM   838  N  N    . THR   A 1 54  ? 41.839 2.602   -0.775  1.00 7.17  ?  54  THR   A N    1 
ATOM   839  C  CA   . THR   A 1 54  ? 41.493 1.882   0.447   1.00 7.48  ?  54  THR   A CA   1 
ATOM   840  C  C    . THR   A 1 54  ? 41.487 2.883   1.587   1.00 7.30  ?  54  THR   A C    1 
ATOM   841  O  O    . THR   A 1 54  ? 42.524 3.490   1.903   1.00 7.59  ?  54  THR   A O    1 
ATOM   842  C  CB   . THR   A 1 54  ? 42.447 0.734   0.753   1.00 8.07  ?  54  THR   A CB   1 
ATOM   843  O  OG1  . THR   A 1 54  ? 42.510 -0.148  -0.364  1.00 9.82  ?  54  THR   A OG1  1 
ATOM   844  C  CG2  . THR   A 1 54  ? 41.987 -0.046  1.969   1.00 8.48  ?  54  THR   A CG2  1 
ATOM   845  H  H    . THR   A 1 54  ? 42.650 2.886   -0.800  1.00 7.51  ?  54  THR   A H    1 
ATOM   846  H  HA   . THR   A 1 54  ? 40.598 1.496   0.369   1.00 7.52  ?  54  THR   A HA   1 
ATOM   847  H  HB   . THR   A 1 54  ? 43.331 1.089   0.934   1.00 8.15  ?  54  THR   A HB   1 
ATOM   848  H  HG1  . THR   A 1 54  ? 43.031 -0.771  -0.205  0.00 9.44  ?  54  THR   A HG1  1 
ATOM   849  H  HG21 . THR   A 1 54  ? 41.981 0.515   2.748   1.00 8.35  ?  54  THR   A HG21 1 
ATOM   850  H  HG22 . THR   A 1 54  ? 42.580 -0.782  2.131   1.00 8.75  ?  54  THR   A HG22 1 
ATOM   851  H  HG23 . THR   A 1 54  ? 41.101 -0.387  1.824   1.00 8.39  ?  54  THR   A HG23 1 
ATOM   852  N  N    . LEU   A 1 55  ? 40.316 3.041   2.198   1.00 7.21  ?  55  LEU   A N    1 
ATOM   853  C  CA   . LEU   A 1 55  ? 40.139 3.804   3.437   1.00 7.55  ?  55  LEU   A CA   1 
ATOM   854  C  C    . LEU   A 1 55  ? 40.087 2.864   4.611   1.00 7.80  ?  55  LEU   A C    1 
ATOM   855  O  O    . LEU   A 1 55  ? 39.773 1.688   4.464   1.00 7.89  ?  55  LEU   A O    1 
ATOM   856  C  CB   . LEU   A 1 55  ? 38.851 4.649   3.373   1.00 8.35  ?  55  LEU   A CB   1 
ATOM   857  C  CG   . LEU   A 1 55  ? 38.686 5.527   2.143   1.00 8.80  ?  55  LEU   A CG   1 
ATOM   858  C  CD1  . LEU   A 1 55  ? 37.346 6.239   2.167   1.00 9.81  ?  55  LEU   A CD1  1 
ATOM   859  C  CD2  . LEU   A 1 55  ? 39.806 6.536   2.016   1.00 10.82 ?  55  LEU   A CD2  1 
ATOM   860  H  H    . LEU   A 1 55  ? 39.579 2.707   1.906   1.00 7.37  ?  55  LEU   A H    1 
ATOM   861  H  HA   . LEU   A 1 55  ? 40.894 4.414   3.567   1.00 7.60  ?  55  LEU   A HA   1 
ATOM   862  H  HB2  . LEU   A 1 55  ? 38.089 4.049   3.401   1.00 8.22  ?  55  LEU   A HB2  1 
ATOM   863  H  HB3  . LEU   A 1 55  ? 38.830 5.232   4.148   1.00 8.48  ?  55  LEU   A HB3  1 
ATOM   864  H  HG   . LEU   A 1 55  ? 38.704 4.966   1.352   1.00 8.85  ?  55  LEU   A HG   1 
ATOM   865  H  HD11 . LEU   A 1 55  ? 36.646 5.586   2.237   1.00 10.08 ?  55  LEU   A HD11 1 
ATOM   866  H  HD12 . LEU   A 1 55  ? 37.245 6.743   1.357   1.00 9.60  ?  55  LEU   A HD12 1 
ATOM   867  H  HD13 . LEU   A 1 55  ? 37.319 6.828   2.925   1.00 9.71  ?  55  LEU   A HD13 1 
ATOM   868  H  HD21 . LEU   A 1 55  ? 39.861 7.045   2.829   1.00 10.58 ?  55  LEU   A HD21 1 
ATOM   869  H  HD22 . LEU   A 1 55  ? 39.616 7.120   1.278   1.00 10.04 ?  55  LEU   A HD22 1 
ATOM   870  H  HD23 . LEU   A 1 55  ? 40.632 6.073   1.862   1.00 10.19 ?  55  LEU   A HD23 1 
ATOM   871  N  N    . GLY   A 1 56  ? 40.375 3.403   5.786   1.00 7.44  ?  56  GLY   A N    1 
ATOM   872  C  CA   . GLY   A 1 56  ? 40.231 2.625   7.019   1.00 7.76  ?  56  GLY   A CA   1 
ATOM   873  C  C    . GLY   A 1 56  ? 41.395 1.713   7.306   1.00 8.25  ?  56  GLY   A C    1 
ATOM   874  O  O    . GLY   A 1 56  ? 41.298 0.853   8.171   1.00 8.96  ?  56  GLY   A O    1 
ATOM   875  H  H    . GLY   A 1 56  ? 40.652 4.208   5.904   1.00 7.47  ?  56  GLY   A H    1 
ATOM   876  H  HA2  . GLY   A 1 56  ? 40.142 3.237   7.767   1.00 7.78  ?  56  GLY   A HA2  1 
ATOM   877  H  HA3  . GLY   A 1 56  ? 39.426 2.089   6.976   1.00 7.65  ?  56  GLY   A HA3  1 
ATOM   878  N  N    . ALA   A 1 57  ? 42.509 1.893   6.605   1.00 7.64  ?  57  ALA   A N    1 
ATOM   879  C  CA   . ALA   A 1 57  ? 43.643 1.005   6.770   1.00 8.15  ?  57  ALA   A CA   1 
ATOM   880  C  C    . ALA   A 1 57  ? 44.634 1.452   7.841   1.00 7.65  ?  57  ALA   A C    1 
ATOM   881  O  O    . ALA   A 1 57  ? 44.808 2.645   8.111   1.00 8.20  ?  57  ALA   A O    1 
ATOM   882  C  CB   . ALA   A 1 57  ? 44.366 0.806   5.443   1.00 8.97  ?  57  ALA   A CB   1 
ATOM   883  H  H    . ALA   A 1 57  ? 42.638 2.523   6.035   1.00 7.68  ?  57  ALA   A H    1 
ATOM   884  H  HA   . ALA   A 1 57  ? 43.310 0.121   7.032   1.00 8.15  ?  57  ALA   A HA   1 
ATOM   885  H  HB1  . ALA   A 1 57  ? 43.747 0.449   4.801   1.00 8.85  ?  57  ALA   A HB1  1 
ATOM   886  H  HB2  . ALA   A 1 57  ? 45.093 0.193   5.572   1.00 8.70  ?  57  ALA   A HB2  1 
ATOM   887  H  HB3  . ALA   A 1 57  ? 44.701 1.653   5.140   1.00 8.92  ?  57  ALA   A HB3  1 
ATOM   888  N  N    . HIS   A 1 58  ? 45.276 0.451   8.436   1.00 8.36  ?  58  HIS   A N    1 
ATOM   889  C  CA   . HIS   A 1 58  ? 46.480 0.683   9.207   1.00 8.87  ?  58  HIS   A CA   1 
ATOM   890  C  C    . HIS   A 1 58  ? 47.598 -0.193  8.640   1.00 8.90  ?  58  HIS   A C    1 
ATOM   891  O  O    . HIS   A 1 58  ? 48.500 0.342   7.969   1.00 9.42  ?  58  HIS   A O    1 
ATOM   892  C  CB   . HIS   A 1 58  ? 46.302 0.485   10.699  1.00 9.38  ?  58  HIS   A CB   1 
ATOM   893  C  CG   . HIS   A 1 58  ? 47.551 0.812   11.428  1.00 9.64  ?  58  HIS   A CG   1 
ATOM   894  N  ND1  . HIS   A 1 58  ? 48.108 2.070   11.367  1.00 9.74  ?  58  HIS   A ND1  1 
ATOM   895  C  CD2  . HIS   A 1 58  ? 48.443 0.028   12.081  1.00 9.84  ?  58  HIS   A CD2  1 
ATOM   896  C  CE1  . HIS   A 1 58  ? 49.253 2.069   12.020  1.00 10.03 ?  58  HIS   A CE1  1 
ATOM   897  N  NE2  . HIS   A 1 58  ? 49.501 0.836   12.431  1.00 10.23 ?  58  HIS   A NE2  1 
ATOM   898  H  H    . HIS   A 1 58  ? 45.031 -0.373  8.411   1.00 8.14  ?  58  HIS   A H    1 
ATOM   899  H  HA   . HIS   A 1 58  ? 46.765 1.612   9.080   1.00 8.83  ?  58  HIS   A HA   1 
ATOM   900  H  HB2  . HIS   A 1 58  ? 45.605 1.080   11.017  1.00 9.52  ?  58  HIS   A HB2  1 
ATOM   901  H  HB3  . HIS   A 1 58  ? 46.065 -0.434  10.887  1.00 9.34  ?  58  HIS   A HB3  1 
ATOM   902  H  HD1  . HIS   A 1 58  ? 47.749 2.756   10.992  1.00 9.32  ?  58  HIS   A HD1  1 
ATOM   903  H  HD2  . HIS   A 1 58  ? 48.361 -0.882  12.249  1.00 9.60  ?  58  HIS   A HD2  1 
ATOM   904  H  HE1  . HIS   A 1 58  ? 49.806 2.806   12.143  1.00 9.52  ?  58  HIS   A HE1  1 
ATOM   905  H  HE2  . HIS   A 1 58  ? 50.173 0.595   12.907  1.00 9.77  ?  58  HIS   A HE2  1 
ATOM   906  N  N    . ASN   A 1 59  ? 47.561 -1.502  8.897   1.00 9.09  ?  59  ASN   A N    1 
ATOM   907  C  CA   . ASN   A 1 59  ? 48.439 -2.452  8.267   1.00 9.65  ?  59  ASN   A CA   1 
ATOM   908  C  C    . ASN   A 1 59  ? 47.759 -2.871  6.974   1.00 9.42  ?  59  ASN   A C    1 
ATOM   909  O  O    . ASN   A 1 59  ? 46.765 -3.599  6.991   1.00 9.72  ?  59  ASN   A O    1 
ATOM   910  C  CB   . ASN   A 1 59  ? 48.752 -3.662  9.157   1.00 10.62 ?  59  ASN   A CB   1 
ATOM   911  C  CG   . ASN   A 1 59  ? 49.824 -4.524  8.546   1.00 12.01 ?  59  ASN   A CG   1 
ATOM   912  O  OD1  . ASN   A 1 59  ? 49.847 -4.725  7.335   1.00 11.95 ?  59  ASN   A OD1  1 
ATOM   913  N  ND2  . ASN   A 1 59  ? 50.747 -5.004  9.363   1.00 12.95 ?  59  ASN   A ND2  1 
ATOM   914  H  H    . ASN   A 1 59  ? 47.010 -1.868  9.446   1.00 8.90  ?  59  ASN   A H    1 
ATOM   915  H  HA   . ASN   A 1 59  ? 49.289 -2.020  8.057   1.00 9.76  ?  59  ASN   A HA   1 
ATOM   916  H  HB2  . ASN   A 1 59  ? 49.060 -3.345  10.020  1.00 10.72 ?  59  ASN   A HB2  1 
ATOM   917  H  HB3  . ASN   A 1 59  ? 47.952 -4.200  9.265   1.00 10.47 ?  59  ASN   A HB3  1 
ATOM   918  H  HD21 . ASN   A 1 59  ? 51.498 -5.519  8.999   1.00 12.67 ?  59  ASN   A HD21 1 
ATOM   919  H  HD22 . ASN   A 1 59  ? 50.685 -4.851  10.329  1.00 12.63 ?  59  ASN   A HD22 1 
ATOM   920  N  N    . ILE   A 1 60  ? 48.279 -2.386  5.843   1.00 9.88  ?  60  ILE   A N    1 
ATOM   921  C  CA   . ILE   A 1 60  ? 47.654 -2.578  4.556   1.00 10.24 ?  60  ILE   A CA   1 
ATOM   922  C  C    . ILE   A 1 60  ? 47.752 -4.015  4.053   1.00 10.40 ?  60  ILE   A C    1 
ATOM   923  O  O    . ILE   A 1 60  ? 47.123 -4.352  3.054   1.00 11.78 ?  60  ILE   A O    1 
ATOM   924  C  CB   . ILE   A 1 60  ? 48.231 -1.554  3.536   1.00 11.55 ?  60  ILE   A CB   1 
ATOM   925  C  CG1  . ILE   A 1 60  ? 47.341 -1.407  2.306   1.00 12.12 ?  60  ILE   A CG1  1 
ATOM   926  C  CG2  . ILE   A 1 60  ? 49.692 -1.841  3.164   1.00 12.54 ?  60  ILE   A CG2  1 
ATOM   927  C  CD1  . ILE   A 1 60  ? 45.939 -0.874  2.578   1.00 12.72 ?  60  ILE   A CD1  1 
ATOM   928  H  H    . ILE   A 1 60  ? 49.008 -1.933  5.815   1.00 10.04 ?  60  ILE   A H    1 
ATOM   929  H  HA   . ILE   A 1 60  ? 46.701 -2.381  4.659   1.00 10.44 ?  60  ILE   A HA   1 
ATOM   930  H  HB   . ILE   A 1 60  ? 48.226 -0.692  3.979   1.00 11.53 ?  60  ILE   A HB   1 
ATOM   931  H  HG12 . ILE   A 1 60  ? 47.766 -0.780  1.708   1.00 12.01 ?  60  ILE   A HG12 1 
ATOM   932  H  HG13 . ILE   A 1 60  ? 47.257 -2.264  1.864   1.00 12.22 ?  60  ILE   A HG13 1 
ATOM   933  H  HG21 . ILE   A 1 60  ? 50.222 -1.892  3.961   1.00 11.84 ?  60  ILE   A HG21 1 
ATOM   934  H  HG22 . ILE   A 1 60  ? 50.012 -1.128  2.607   1.00 12.04 ?  60  ILE   A HG22 1 
ATOM   935  H  HG23 . ILE   A 1 60  ? 49.740 -2.672  2.685   1.00 12.53 ?  60  ILE   A HG23 1 
ATOM   936  H  HD11 . ILE   A 1 60  ? 45.413 -1.562  2.994   1.00 12.35 ?  60  ILE   A HD11 1 
ATOM   937  H  HD12 . ILE   A 1 60  ? 45.535 -0.613  1.746   1.00 12.92 ?  60  ILE   A HD12 1 
ATOM   938  H  HD13 . ILE   A 1 60  ? 46.004 -0.111  3.160   1.00 12.75 ?  60  ILE   A HD13 1 
ATOM   939  N  N    . THR   A 1 61  ? 48.517 -4.863  4.736   1.00 11.18 ?  61  THR   A N    1 
ATOM   940  C  CA   . THR   A 1 61  ? 48.613 -6.278  4.350   1.00 12.61 ?  61  THR   A CA   1 
ATOM   941  C  C    . THR   A 1 61  ? 47.589 -7.153  5.069   1.00 13.73 ?  61  THR   A C    1 
ATOM   942  O  O    . THR   A 1 61  ? 47.500 -8.341  4.761   1.00 15.21 ?  61  THR   A O    1 
ATOM   943  C  CB   . THR   A 1 61  ? 49.999 -6.868  4.634   1.00 13.00 ?  61  THR   A CB   1 
ATOM   944  O  OG1  . THR   A 1 61  ? 50.223 -7.013  6.048   1.00 13.48 ?  61  THR   A OG1  1 
ATOM   945  C  CG2  . THR   A 1 61  ? 51.079 -6.025  3.974   1.00 13.97 ?  61  THR   A CG2  1 
ATOM   946  H  H    . THR   A 1 61  ? 49.001 -4.660  5.416   1.00 11.42 ?  61  THR   A H    1 
ATOM   947  H  HA   . THR   A 1 61  ? 48.455 -6.367  3.386   1.00 12.53 ?  61  THR   A HA   1 
ATOM   948  H  HB   . THR   A 1 61  ? 50.042 -7.750  4.231   1.00 13.32 ?  61  THR   A HB   1 
ATOM   949  H  HG1  . THR   A 1 61  ? 50.964 -7.325  6.174   0.00 13.46 ?  61  THR   A HG1  1 
ATOM   950  H  HG21 . THR   A 1 61  ? 50.881 -5.911  3.041   1.00 13.77 ?  61  THR   A HG21 1 
ATOM   951  H  HG22 . THR   A 1 61  ? 51.931 -6.459  4.061   1.00 13.56 ?  61  THR   A HG22 1 
ATOM   952  H  HG23 . THR   A 1 61  ? 51.126 -5.161  4.391   1.00 13.66 ?  61  THR   A HG23 1 
ATOM   953  N  N    . GLU   A 1 62  ? 46.840 -6.580  6.013   1.00 12.34 ?  62  GLU   A N    1 
ATOM   954  C  CA   A GLU   A 1 62  ? 45.914 -7.359  6.818   0.50 13.33 ?  62  GLU   A CA   1 
ATOM   955  C  CA   B GLU   A 1 62  ? 45.922 -7.334  6.859   0.50 13.68 ?  62  GLU   A CA   1 
ATOM   956  C  C    . GLU   A 1 62  ? 44.504 -6.795  6.705   1.00 12.64 ?  62  GLU   A C    1 
ATOM   957  O  O    . GLU   A 1 62  ? 44.167 -5.787  7.298   1.00 12.20 ?  62  GLU   A O    1 
ATOM   958  C  CB   A GLU   A 1 62  ? 46.400 -7.411  8.262   0.50 15.02 ?  62  GLU   A CB   1 
ATOM   959  C  CB   B GLU   A 1 62  ? 46.377 -7.209  8.312   0.50 16.39 ?  62  GLU   A CB   1 
ATOM   960  C  CG   A GLU   A 1 62  ? 47.731 -8.151  8.426   0.50 16.20 ?  62  GLU   A CG   1 
ATOM   961  C  CG   B GLU   A 1 62  ? 45.636 -8.097  9.299   0.50 19.05 ?  62  GLU   A CG   1 
ATOM   962  C  CD   A GLU   A 1 62  ? 48.390 -7.974  9.791   0.50 18.39 ?  62  GLU   A CD   1 
ATOM   963  C  CD   B GLU   A 1 62  ? 45.356 -7.426  10.639  0.50 21.06 ?  62  GLU   A CD   1 
ATOM   964  O  OE1  A GLU   A 1 62  ? 49.397 -8.675  10.052  0.50 22.63 ?  62  GLU   A OE1  1 
ATOM   965  O  OE1  B GLU   A 1 62  ? 46.270 -7.108  11.393  0.50 22.13 ?  62  GLU   A OE1  1 
ATOM   966  O  OE2  A GLU   A 1 62  ? 47.934 -7.135  10.596  0.50 18.62 ?  62  GLU   A OE2  1 
ATOM   967  O  OE2  B GLU   A 1 62  ? 44.173 -7.208  10.953  0.50 23.93 ?  62  GLU   A OE2  1 
ATOM   968  H  H    . GLU   A 1 62  ? 46.848 -5.741  6.198   1.00 12.81 ?  62  GLU   A H    1 
ATOM   969  H  HA   A GLU   A 1 62  ? 45.890 -8.283  6.495   0.50 13.56 ?  62  GLU   A HA   1 
ATOM   970  H  HA   B GLU   A 1 62  ? 45.924 -8.283  6.617   0.50 13.82 ?  62  GLU   A HA   1 
ATOM   971  H  HB2  A GLU   A 1 62  ? 46.522 -6.505  8.586   0.50 14.97 ?  62  GLU   A HB2  1 
ATOM   972  H  HB2  B GLU   A 1 62  ? 47.315 -7.454  8.356   0.50 16.14 ?  62  GLU   A HB2  1 
ATOM   973  H  HB3  A GLU   A 1 62  ? 45.736 -7.868  8.801   0.50 14.18 ?  62  GLU   A HB3  1 
ATOM   974  H  HB3  B GLU   A 1 62  ? 46.275 -6.290  8.601   0.50 16.07 ?  62  GLU   A HB3  1 
ATOM   975  H  HG2  A GLU   A 1 62  ? 47.574 -9.100  8.298   0.50 16.26 ?  62  GLU   A HG2  1 
ATOM   976  H  HG2  B GLU   A 1 62  ? 44.784 -8.340  8.916   0.50 18.82 ?  62  GLU   A HG2  1 
ATOM   977  H  HG3  A GLU   A 1 62  ? 48.356 -7.831  7.759   0.50 15.59 ?  62  GLU   A HG3  1 
ATOM   978  H  HG3  B GLU   A 1 62  ? 46.172 -8.889  9.455   0.50 18.69 ?  62  GLU   A HG3  1 
ATOM   979  N  N    . GLU   A 1 63  ? 43.677 -7.475  5.918   1.00 13.18 ?  63  GLU   A N    1 
ATOM   980  C  CA   . GLU   A 1 63  ? 42.296 -7.069  5.733   1.00 14.13 ?  63  GLU   A CA   1 
ATOM   981  C  C    . GLU   A 1 63  ? 41.574 -7.071  7.070   1.00 12.34 ?  63  GLU   A C    1 
ATOM   982  O  O    . GLU   A 1 63  ? 41.779 -7.932  7.925   1.00 13.89 ?  63  GLU   A O    1 
ATOM   983  C  CB   . GLU   A 1 63  ? 41.585 -7.993  4.738   1.00 17.29 ?  63  GLU   A CB   1 
ATOM   984  C  CG   . GLU   A 1 63  ? 40.139 -7.606  4.465   1.00 22.08 ?  63  GLU   A CG   1 
ATOM   985  C  CD   . GLU   A 1 63  ? 39.520 -8.302  3.259   1.00 27.63 ?  63  GLU   A CD   1 
ATOM   986  O  OE1  . GLU   A 1 63  ? 40.148 -9.217  2.698   1.00 33.14 ?  63  GLU   A OE1  1 
ATOM   987  O  OE2  . GLU   A 1 63  ? 38.393 -7.922  2.866   1.00 30.68 ?  63  GLU   A OE2  1 
ATOM   988  H  H    . GLU   A 1 63  ? 43.895 -8.179  5.475   1.00 12.94 ?  63  GLU   A H    1 
ATOM   989  H  HA   . GLU   A 1 63  ? 42.272 -6.162  5.371   1.00 13.75 ?  63  GLU   A HA   1 
ATOM   990  H  HB2  . GLU   A 1 63  ? 42.066 -7.966  3.896   1.00 17.37 ?  63  GLU   A HB2  1 
ATOM   991  H  HB3  . GLU   A 1 63  ? 41.589 -8.897  5.091   1.00 17.46 ?  63  GLU   A HB3  1 
ATOM   992  H  HG2  . GLU   A 1 63  ? 39.600 -7.836  5.238   1.00 21.51 ?  63  GLU   A HG2  1 
ATOM   993  H  HG3  . GLU   A 1 63  ? 40.096 -6.650  4.309   1.00 21.58 ?  63  GLU   A HG3  1 
ATOM   994  N  N    . GLU   A 1 64  ? 40.743 -6.060  7.259   1.00 10.04 ?  64  GLU   A N    1 
ATOM   995  C  CA   . GLU   A 1 64  ? 39.963 -5.905  8.492   1.00 9.65  ?  64  GLU   A CA   1 
ATOM   996  C  C    . GLU   A 1 64  ? 38.663 -5.191  8.190   1.00 8.81  ?  64  GLU   A C    1 
ATOM   997  O  O    . GLU   A 1 64  ? 38.497 -4.597  7.124   1.00 8.60  ?  64  GLU   A O    1 
ATOM   998  C  CB   . GLU   A 1 64  ? 40.793 -5.205  9.547   1.00 10.40 ?  64  GLU   A CB   1 
ATOM   999  C  CG   . GLU   A 1 64  ? 41.381 -3.897  9.075   1.00 10.74 ?  64  GLU   A CG   1 
ATOM   1000 C  CD   . GLU   A 1 64  ? 41.932 -3.064  10.206  1.00 10.36 ?  64  GLU   A CD   1 
ATOM   1001 O  OE1  . GLU   A 1 64  ? 42.863 -2.273  9.984   1.00 11.04 ?  64  GLU   A OE1  1 
ATOM   1002 O  OE2  . GLU   A 1 64  ? 41.434 -3.186  11.348  1.00 11.10 ?  64  GLU   A OE2  1 
ATOM   1003 H  H    . GLU   A 1 64  ? 40.607 -5.435  6.685   1.00 10.25 ?  64  GLU   A H    1 
ATOM   1004 H  HA   . GLU   A 1 64  ? 39.729 -6.791  8.841   1.00 9.68  ?  64  GLU   A HA   1 
ATOM   1005 H  HB2  . GLU   A 1 64  ? 40.226 -5.029  10.313  1.00 10.09 ?  64  GLU   A HB2  1 
ATOM   1006 H  HB3  . GLU   A 1 64  ? 41.530 -5.783  9.797   1.00 10.37 ?  64  GLU   A HB3  1 
ATOM   1007 H  HG2  . GLU   A 1 64  ? 42.110 -4.081  8.462   1.00 10.68 ?  64  GLU   A HG2  1 
ATOM   1008 H  HG3  . GLU   A 1 64  ? 40.697 -3.376  8.629   1.00 10.64 ?  64  GLU   A HG3  1 
ATOM   1009 N  N    . ASP   A 1 65  ? 37.718 -5.274  9.119   1.00 8.48  ?  65  ASP   A N    1 
ATOM   1010 C  CA   . ASP   A 1 65  ? 36.423 -4.693  8.909   1.00 8.45  ?  65  ASP   A CA   1 
ATOM   1011 C  C    . ASP   A 1 65  ? 36.420 -3.189  8.693   1.00 8.32  ?  65  ASP   A C    1 
ATOM   1012 O  O    . ASP   A 1 65  ? 35.533 -2.682  8.055   1.00 9.33  ?  65  ASP   A O    1 
ATOM   1013 C  CB   . ASP   A 1 65  ? 35.507 -5.025  10.104  1.00 8.78  ?  65  ASP   A CB   1 
ATOM   1014 C  CG   . ASP   A 1 65  ? 34.892 -6.420  10.048  1.00 10.05 ?  65  ASP   A CG   1 
ATOM   1015 O  OD1  . ASP   A 1 65  ? 34.174 -6.754  11.015  1.00 10.33 ?  65  ASP   A OD1  1 
ATOM   1016 O  OD2  . ASP   A 1 65  ? 35.122 -7.176  9.080   1.00 11.23 ?  65  ASP   A OD2  1 
ATOM   1017 H  H    . ASP   A 1 65  ? 37.820 -5.669  9.877   1.00 8.59  ?  65  ASP   A H    1 
ATOM   1018 H  HA   . ASP   A 1 65  ? 36.030 -5.095  8.106   1.00 8.70  ?  65  ASP   A HA   1 
ATOM   1019 H  HB2  . ASP   A 1 65  ? 36.015 -4.956  10.927  1.00 9.11  ?  65  ASP   A HB2  1 
ATOM   1020 H  HB3  . ASP   A 1 65  ? 34.774 -4.389  10.123  1.00 9.14  ?  65  ASP   A HB3  1 
ATOM   1021 N  N    . THR   A 1 66  ? 37.428 -2.470  9.195   1.00 8.05  ?  66  THR   A N    1 
ATOM   1022 C  CA   . THR   A 1 66  ? 37.503 -1.026  8.990   1.00 8.26  ?  66  THR   A CA   1 
ATOM   1023 C  C    . THR   A 1 66  ? 37.788 -0.703  7.513   1.00 7.97  ?  66  THR   A C    1 
ATOM   1024 O  O    . THR   A 1 66  ? 37.528 0.427   7.090   1.00 8.10  ?  66  THR   A O    1 
ATOM   1025 C  CB   . THR   A 1 66  ? 38.631 -0.346  9.816   1.00 8.64  ?  66  THR   A CB   1 
ATOM   1026 O  OG1  . THR   A 1 66  ? 39.860 -1.005  9.556   1.00 9.20  ?  66  THR   A OG1  1 
ATOM   1027 C  CG2  . THR   A 1 66  ? 38.332 -0.362  11.306  1.00 9.29  ?  66  THR   A CG2  1 
ATOM   1028 H  H    . THR   A 1 66  ? 38.075 -2.792  9.661   1.00 8.37  ?  66  THR   A H    1 
ATOM   1029 H  HA   . THR   A 1 66  ? 36.649 -0.614  9.239   1.00 8.29  ?  66  THR   A HA   1 
ATOM   1030 H  HB   . THR   A 1 66  ? 38.708 0.581   9.542   1.00 8.61  ?  66  THR   A HB   1 
ATOM   1031 H  HG1  . THR   A 1 66  ? 40.466 -0.657  9.987   0.00 9.15  ?  66  THR   A HG1  1 
ATOM   1032 H  HG21 . THR   A 1 66  ? 37.538 0.147   11.485  1.00 9.22  ?  66  THR   A HG21 1 
ATOM   1033 H  HG22 . THR   A 1 66  ? 39.066 0.023   11.791  1.00 9.02  ?  66  THR   A HG22 1 
ATOM   1034 H  HG23 . THR   A 1 66  ? 38.197 -1.261  11.607  1.00 9.15  ?  66  THR   A HG23 1 
ATOM   1035 N  N    . TRP   A 1 67  ? 38.342 -1.646  6.739   1.00 7.88  ?  67  TRP   A N    1 
ATOM   1036 C  CA   . TRP   A 1 67  ? 38.651 -1.325  5.333   1.00 7.94  ?  67  TRP   A CA   1 
ATOM   1037 C  C    . TRP   A 1 67  ? 37.407 -0.960  4.557   1.00 7.15  ?  67  TRP   A C    1 
ATOM   1038 O  O    . TRP   A 1 67  ? 36.381 -1.640  4.639   1.00 8.81  ?  67  TRP   A O    1 
ATOM   1039 C  CB   . TRP   A 1 67  ? 39.300 -2.478  4.603   1.00 8.36  ?  67  TRP   A CB   1 
ATOM   1040 C  CG   . TRP   A 1 67  ? 40.726 -2.705  4.919   1.00 9.12  ?  67  TRP   A CG   1 
ATOM   1041 C  CD1  . TRP   A 1 67  ? 41.478 -2.158  5.922   1.00 9.11  ?  67  TRP   A CD1  1 
ATOM   1042 C  CD2  . TRP   A 1 67  ? 41.598 -3.570  4.196   1.00 9.58  ?  67  TRP   A CD2  1 
ATOM   1043 N  NE1  . TRP   A 1 67  ? 42.771 -2.628  5.857   1.00 9.68  ?  67  TRP   A NE1  1 
ATOM   1044 C  CE2  . TRP   A 1 67  ? 42.871 -3.496  4.805   1.00 10.14 ?  67  TRP   A CE2  1 
ATOM   1045 C  CE3  . TRP   A 1 67  ? 41.428 -4.397  3.086   1.00 11.45 ?  67  TRP   A CE3  1 
ATOM   1046 C  CZ2  . TRP   A 1 67  ? 43.959 -4.237  4.345   1.00 11.26 ?  67  TRP   A CZ2  1 
ATOM   1047 C  CZ3  . TRP   A 1 67  ? 42.512 -5.138  2.634   1.00 12.71 ?  67  TRP   A CZ3  1 
ATOM   1048 C  CH2  . TRP   A 1 67  ? 43.756 -5.045  3.268   1.00 12.48 ?  67  TRP   A CH2  1 
ATOM   1049 H  H    . TRP   A 1 67  ? 38.551 -2.443  6.984   1.00 7.85  ?  67  TRP   A H    1 
ATOM   1050 H  HA   . TRP   A 1 67  ? 39.269 -0.567  5.312   1.00 7.83  ?  67  TRP   A HA   1 
ATOM   1051 H  HB2  . TRP   A 1 67  ? 38.819 -3.292  4.817   1.00 8.30  ?  67  TRP   A HB2  1 
ATOM   1052 H  HB3  . TRP   A 1 67  ? 39.245 -2.314  3.648   1.00 8.45  ?  67  TRP   A HB3  1 
ATOM   1053 H  HD1  . TRP   A 1 67  ? 41.169 -1.542  6.547   1.00 9.26  ?  67  TRP   A HD1  1 
ATOM   1054 H  HE1  . TRP   A 1 67  ? 43.409 -2.414  6.392   1.00 9.59  ?  67  TRP   A HE1  1 
ATOM   1055 H  HE3  . TRP   A 1 67  ? 40.600 -4.465  2.669   1.00 10.89 ?  67  TRP   A HE3  1 
ATOM   1056 H  HZ2  . TRP   A 1 67  ? 44.790 -4.185  4.760   1.00 11.31 ?  67  TRP   A HZ2  1 
ATOM   1057 H  HZ3  . TRP   A 1 67  ? 42.414 -5.692  1.894   1.00 11.47 ?  67  TRP   A HZ3  1 
ATOM   1058 H  HH2  . TRP   A 1 67  ? 44.469 -5.542  2.938   1.00 11.87 ?  67  TRP   A HH2  1 
ATOM   1059 N  N    . GLN   A 1 68  ? 37.521 0.055   3.710   1.00 7.29  ?  68  GLN   A N    1 
ATOM   1060 C  CA   . GLN   A 1 68  ? 36.567 0.327   2.632   1.00 7.37  ?  68  GLN   A CA   1 
ATOM   1061 C  C    . GLN   A 1 68  ? 37.383 0.474   1.351   1.00 8.16  ?  68  GLN   A C    1 
ATOM   1062 O  O    . GLN   A 1 68  ? 38.160 1.396   1.202   1.00 8.41  ?  68  GLN   A O    1 
ATOM   1063 C  CB   . GLN   A 1 68  ? 35.755 1.579   2.888   1.00 7.77  ?  68  GLN   A CB   1 
ATOM   1064 C  CG   . GLN   A 1 68  ? 34.926 1.518   4.163   1.00 8.58  ?  68  GLN   A CG   1 
ATOM   1065 C  CD   . GLN   A 1 68  ? 34.170 2.787   4.394   1.00 8.70  ?  68  GLN   A CD   1 
ATOM   1066 O  OE1  . GLN   A 1 68  ? 33.557 3.311   3.483   1.00 9.59  ?  68  GLN   A OE1  1 
ATOM   1067 N  NE2  . GLN   A 1 68  ? 34.235 3.315   5.622   1.00 9.39  ?  68  GLN   A NE2  1 
ATOM   1068 H  H    . GLN   A 1 68  ? 38.163 0.627   3.741   1.00 7.24  ?  68  GLN   A H    1 
ATOM   1069 H  HA   . GLN   A 1 68  ? 35.947 -0.424  2.527   1.00 7.55  ?  68  GLN   A HA   1 
ATOM   1070 H  HB2  . GLN   A 1 68  ? 36.358 2.335   2.963   1.00 7.83  ?  68  GLN   A HB2  1 
ATOM   1071 H  HB3  . GLN   A 1 68  ? 35.149 1.713   2.143   1.00 8.00  ?  68  GLN   A HB3  1 
ATOM   1072 H  HG2  . GLN   A 1 68  ? 34.284 0.795   4.089   1.00 8.59  ?  68  GLN   A HG2  1 
ATOM   1073 H  HG3  . GLN   A 1 68  ? 35.516 1.364   4.917   1.00 8.55  ?  68  GLN   A HG3  1 
ATOM   1074 H  HE21 . GLN   A 1 68  ? 33.872 4.078   5.779   1.00 9.23  ?  68  GLN   A HE21 1 
ATOM   1075 H  HE22 . GLN   A 1 68  ? 34.637 2.896   6.257   1.00 9.26  ?  68  GLN   A HE22 1 
ATOM   1076 N  N    . LYS   A 1 69  ? 37.254 -0.502  0.465   1.00 9.31  ?  69  LYS   A N    1 
ATOM   1077 C  CA   . LYS   A 1 69  ? 37.956 -0.496  -0.796  1.00 10.47 ?  69  LYS   A CA   1 
ATOM   1078 C  C    . LYS   A 1 69  ? 36.990 0.098   -1.786  1.00 11.49 ?  69  LYS   A C    1 
ATOM   1079 O  O    . LYS   A 1 69  ? 35.990 -0.527  -2.153  1.00 14.41 ?  69  LYS   A O    1 
ATOM   1080 C  CB   . LYS   A 1 69  ? 38.300 -1.923  -1.204  1.00 12.51 ?  69  LYS   A CB   1 
ATOM   1081 C  CG   . LYS   A 1 69  ? 39.281 -2.619  -0.282  1.00 17.48 ?  69  LYS   A CG   1 
ATOM   1082 C  CD   . LYS   A 1 69  ? 39.606 -4.059  -0.672  1.00 24.71 ?  69  LYS   A CD   1 
ATOM   1083 C  CE   . LYS   A 1 69  ? 40.201 -4.135  -2.054  1.00 30.98 ?  69  LYS   A CE   1 
ATOM   1084 N  NZ   . LYS   A 1 69  ? 41.071 -5.339  -2.217  1.00 37.78 ?  69  LYS   A NZ   1 
ATOM   1085 H  H    . LYS   A 1 69  ? 36.750 -1.190  0.577   1.00 8.94  ?  69  LYS   A H    1 
ATOM   1086 H  HA   . LYS   A 1 69  ? 38.777 0.034   -0.752  1.00 10.52 ?  69  LYS   A HA   1 
ATOM   1087 H  HB2  . LYS   A 1 69  ? 37.488 -2.454  -1.220  1.00 12.90 ?  69  LYS   A HB2  1 
ATOM   1088 H  HB3  . LYS   A 1 69  ? 38.690 -1.898  -2.091  1.00 12.47 ?  69  LYS   A HB3  1 
ATOM   1089 H  HG2  . LYS   A 1 69  ? 40.112 -2.119  -0.278  1.00 17.76 ?  69  LYS   A HG2  1 
ATOM   1090 H  HG3  . LYS   A 1 69  ? 38.907 -2.637  0.613   1.00 16.43 ?  69  LYS   A HG3  1 
ATOM   1091 H  HD2  . LYS   A 1 69  ? 40.247 -4.424  -0.042  1.00 23.93 ?  69  LYS   A HD2  1 
ATOM   1092 H  HD3  . LYS   A 1 69  ? 38.791 -4.585  -0.664  1.00 24.14 ?  69  LYS   A HD3  1 
ATOM   1093 H  HE2  . LYS   A 1 69  ? 39.484 -4.181  -2.702  1.00 29.11 ?  69  LYS   A HE2  1 
ATOM   1094 H  HE3  . LYS   A 1 69  ? 40.728 -3.342  -2.209  1.00 29.07 ?  69  LYS   A HE3  1 
ATOM   1095 H  HZ1  . LYS   A 1 69  ? 41.798 -5.308  -1.590  1.00 34.09 ?  69  LYS   A HZ1  1 
ATOM   1096 H  HZ2  . LYS   A 1 69  ? 41.429 -5.367  -3.107  1.00 34.77 ?  69  LYS   A HZ2  1 
ATOM   1097 H  HZ3  . LYS   A 1 69  ? 40.560 -6.137  -2.061  1.00 35.05 ?  69  LYS   A HZ3  1 
ATOM   1098 N  N    . LEU   A 1 70  ? 37.269 1.308   -2.216  1.00 10.25 ?  70  LEU   A N    1 
ATOM   1099 C  CA   . LEU   A 1 70  ? 36.349 2.122   -2.965  1.00 10.80 ?  70  LEU   A CA   1 
ATOM   1100 C  C    . LEU   A 1 70  ? 36.840 2.381   -4.371  1.00 10.87 ?  70  LEU   A C    1 
ATOM   1101 O  O    . LEU   A 1 70  ? 37.998 2.745   -4.620  1.00 10.64 ?  70  LEU   A O    1 
ATOM   1102 C  CB   . LEU   A 1 70  ? 36.083 3.423   -2.235  1.00 12.29 ?  70  LEU   A CB   1 
ATOM   1103 C  CG   . LEU   A 1 70  ? 35.469 3.174   -0.850  1.00 13.82 ?  70  LEU   A CG   1 
ATOM   1104 C  CD1  . LEU   A 1 70  ? 35.369 4.475   -0.079  1.00 15.80 ?  70  LEU   A CD1  1 
ATOM   1105 C  CD2  . LEU   A 1 70  ? 34.115 2.480   -0.946  1.00 17.88 ?  70  LEU   A CD2  1 
ATOM   1106 H  H    . LEU   A 1 70  ? 38.023 1.699   -2.082  1.00 10.45 ?  70  LEU   A H    1 
ATOM   1107 H  HA   . LEU   A 1 70  ? 35.495 1.650   -3.041  1.00 11.03 ?  70  LEU   A HA   1 
ATOM   1108 H  HB2  . LEU   A 1 70  ? 36.919 3.899   -2.114  1.00 12.32 ?  70  LEU   A HB2  1 
ATOM   1109 H  HB3  . LEU   A 1 70  ? 35.462 3.960   -2.750  1.00 12.44 ?  70  LEU   A HB3  1 
ATOM   1110 H  HG   . LEU   A 1 70  ? 36.058 2.590   -0.348  1.00 13.89 ?  70  LEU   A HG   1 
ATOM   1111 H  HD11 . LEU   A 1 70  ? 36.240 4.874   -0.032  1.00 14.67 ?  70  LEU   A HD11 1 
ATOM   1112 H  HD12 . LEU   A 1 70  ? 35.042 4.291   0.804   1.00 14.92 ?  70  LEU   A HD12 1 
ATOM   1113 H  HD13 . LEU   A 1 70  ? 34.764 5.064   -0.538  1.00 16.18 ?  70  LEU   A HD13 1 
ATOM   1114 H  HD21 . LEU   A 1 70  ? 33.585 2.920   -1.617  1.00 17.91 ?  70  LEU   A HD21 1 
ATOM   1115 H  HD22 . LEU   A 1 70  ? 33.676 2.541   -0.092  1.00 16.30 ?  70  LEU   A HD22 1 
ATOM   1116 H  HD23 . LEU   A 1 70  ? 34.244 1.558   -1.178  1.00 16.20 ?  70  LEU   A HD23 1 
ATOM   1117 N  N    . GLU   A 1 71  ? 35.915 2.236   -5.290  1.00 9.68  ?  71  GLU   A N    1 
ATOM   1118 C  CA   . GLU   A 1 71  ? 36.142 2.537   -6.682  1.00 9.27  ?  71  GLU   A CA   1 
ATOM   1119 C  C    . GLU   A 1 71  ? 36.207 4.011   -6.950  1.00 9.06  ?  71  GLU   A C    1 
ATOM   1120 O  O    . GLU   A 1 71  ? 35.442 4.794   -6.397  1.00 9.95  ?  71  GLU   A O    1 
ATOM   1121 C  CB   . GLU   A 1 71  ? 34.961 1.930   -7.453  1.00 10.23 ?  71  GLU   A CB   1 
ATOM   1122 C  CG   . GLU   A 1 71  ? 34.908 2.160   -8.951  1.00 10.15 ?  71  GLU   A CG   1 
ATOM   1123 C  CD   . GLU   A 1 71  ? 33.560 1.772   -9.553  1.00 11.48 ?  71  GLU   A CD   1 
ATOM   1124 O  OE1  . GLU   A 1 71  ? 32.851 0.898   -9.004  1.00 15.33 ?  71  GLU   A OE1  1 
ATOM   1125 O  OE2  . GLU   A 1 71  ? 33.173 2.376   -10.557 1.00 10.46 ?  71  GLU   A OE2  1 
ATOM   1126 H  H    . GLU   A 1 71  ? 35.119 1.955   -5.125  1.00 9.81  ?  71  GLU   A H    1 
ATOM   1127 H  HA   . GLU   A 1 71  ? 36.969 2.109   -6.982  1.00 9.71  ?  71  GLU   A HA   1 
ATOM   1128 H  HB2  . GLU   A 1 71  ? 34.971 0.971   -7.313  1.00 10.28 ?  71  GLU   A HB2  1 
ATOM   1129 H  HB3  . GLU   A 1 71  ? 34.141 2.297   -7.086  1.00 10.51 ?  71  GLU   A HB3  1 
ATOM   1130 H  HG2  . GLU   A 1 71  ? 35.055 3.099   -9.145  1.00 10.35 ?  71  GLU   A HG2  1 
ATOM   1131 H  HG3  . GLU   A 1 71  ? 35.593 1.622   -9.378  1.00 10.48 ?  71  GLU   A HG3  1 
ATOM   1132 N  N    . VAL   A 1 72  ? 37.118 4.398   -7.834  1.00 9.13  ?  72  VAL   A N    1 
ATOM   1133 C  CA   . VAL   A 1 72  ? 37.223 5.755   -8.321  1.00 8.90  ?  72  VAL   A CA   1 
ATOM   1134 C  C    . VAL   A 1 72  ? 36.483 5.827   -9.664  1.00 9.19  ?  72  VAL   A C    1 
ATOM   1135 O  O    . VAL   A 1 72  ? 36.768 5.055   -10.570 1.00 10.41 ?  72  VAL   A O    1 
ATOM   1136 C  CB   . VAL   A 1 72  ? 38.698 6.144   -8.511  1.00 9.43  ?  72  VAL   A CB   1 
ATOM   1137 C  CG1  . VAL   A 1 72  ? 38.825 7.477   -9.239  1.00 10.58 ?  72  VAL   A CG1  1 
ATOM   1138 C  CG2  . VAL   A 1 72  ? 39.420 6.165   -7.177  1.00 9.88  ?  72  VAL   A CG2  1 
ATOM   1139 H  H    . VAL   A 1 72  ? 37.703 3.869   -8.179  1.00 9.29  ?  72  VAL   A H    1 
ATOM   1140 H  HA   . VAL   A 1 72  ? 36.815 6.384   -7.690  1.00 8.79  ?  72  VAL   A HA   1 
ATOM   1141 H  HB   . VAL   A 1 72  ? 39.132 5.465   -9.069  1.00 9.41  ?  72  VAL   A HB   1 
ATOM   1142 H  HG11 . VAL   A 1 72  ? 38.622 7.356   -10.171 1.00 10.37 ?  72  VAL   A HG11 1 
ATOM   1143 H  HG12 . VAL   A 1 72  ? 39.727 7.798   -9.145  1.00 10.11 ?  72  VAL   A HG12 1 
ATOM   1144 H  HG13 . VAL   A 1 72  ? 38.213 8.107   -8.847  1.00 10.48 ?  72  VAL   A HG13 1 
ATOM   1145 H  HG21 . VAL   A 1 72  ? 38.978 6.785   -6.593  1.00 9.91  ?  72  VAL   A HG21 1 
ATOM   1146 H  HG22 . VAL   A 1 72  ? 40.329 6.440   -7.317  1.00 9.72  ?  72  VAL   A HG22 1 
ATOM   1147 H  HG23 . VAL   A 1 72  ? 39.403 5.284   -6.795  1.00 9.70  ?  72  VAL   A HG23 1 
ATOM   1148 N  N    . ILE   A 1 73  ? 35.528 6.739   -9.774  1.00 8.64  ?  73  ILE   A N    1 
ATOM   1149 C  CA   . ILE   A 1 73  ? 34.808 6.935   -11.033 1.00 9.73  ?  73  ILE   A CA   1 
ATOM   1150 C  C    . ILE   A 1 73  ? 35.561 7.827   -12.014 1.00 10.00 ?  73  ILE   A C    1 
ATOM   1151 O  O    . ILE   A 1 73  ? 35.543 7.586   -13.226 1.00 10.94 ?  73  ILE   A O    1 
ATOM   1152 C  CB   . ILE   A 1 73  ? 33.348 7.430   -10.785 1.00 11.32 ?  73  ILE   A CB   1 
ATOM   1153 C  CG1  . ILE   A 1 73  ? 32.604 7.535   -12.098 1.00 15.27 ?  73  ILE   A CG1  1 
ATOM   1154 C  CG2  . ILE   A 1 73  ? 33.271 8.760   -10.076 1.00 12.22 ?  73  ILE   A CG2  1 
ATOM   1155 C  CD1  . ILE   A 1 73  ? 31.139 7.858   -12.001 1.00 16.44 ?  73  ILE   A CD1  1 
ATOM   1156 H  H    . ILE   A 1 73  ? 35.282 7.254   -9.134  1.00 9.22  ?  73  ILE   A H    1 
ATOM   1157 H  HA   . ILE   A 1 73  ? 34.718 6.063   -11.471 1.00 10.00 ?  73  ILE   A HA   1 
ATOM   1158 H  HB   . ILE   A 1 73  ? 32.897 6.771   -10.236 1.00 11.09 ?  73  ILE   A HB   1 
ATOM   1159 H  HG12 . ILE   A 1 73  ? 33.009 8.229   -12.639 1.00 14.87 ?  73  ILE   A HG12 1 
ATOM   1160 H  HG13 . ILE   A 1 73  ? 32.680 6.684   -12.545 1.00 14.23 ?  73  ILE   A HG13 1 
ATOM   1161 H  HG21 . ILE   A 1 73  ? 33.738 8.702   -9.244  1.00 11.68 ?  73  ILE   A HG21 1 
ATOM   1162 H  HG22 . ILE   A 1 73  ? 32.355 8.978   -9.898  1.00 12.05 ?  73  ILE   A HG22 1 
ATOM   1163 H  HG23 . ILE   A 1 73  ? 33.666 9.438   -10.629 1.00 11.98 ?  73  ILE   A HG23 1 
ATOM   1164 H  HD11 . ILE   A 1 73  ? 30.687 7.123   -11.578 1.00 16.23 ?  73  ILE   A HD11 1 
ATOM   1165 H  HD12 . ILE   A 1 73  ? 30.832 8.004   -12.893 1.00 15.86 ?  73  ILE   A HD12 1 
ATOM   1166 H  HD13 . ILE   A 1 73  ? 31.010 8.661   -11.492 1.00 15.72 ?  73  ILE   A HD13 1 
ATOM   1167 N  N    . LYS   A 1 74  ? 36.202 8.881   -11.508 1.00 8.96  ?  74  LYS   A N    1 
ATOM   1168 C  CA   . LYS   A 1 74  ? 36.852 9.866   -12.357 1.00 10.07 ?  74  LYS   A CA   1 
ATOM   1169 C  C    . LYS   A 1 74  ? 38.003 10.528  -11.616 1.00 9.35  ?  74  LYS   A C    1 
ATOM   1170 O  O    . LYS   A 1 74  ? 37.930 10.807  -10.411 1.00 9.99  ?  74  LYS   A O    1 
ATOM   1171 C  CB   . LYS   A 1 74  ? 35.841 10.940  -12.777 1.00 12.35 ?  74  LYS   A CB   1 
ATOM   1172 C  CG   . LYS   A 1 74  ? 36.351 11.943  -13.805 1.00 15.46 ?  74  LYS   A CG   1 
ATOM   1173 C  CD   . LYS   A 1 74  ? 35.199 12.790  -14.349 1.00 19.12 ?  74  LYS   A CD   1 
ATOM   1174 C  CE   . LYS   A 1 74  ? 35.649 13.899  -15.288 1.00 22.82 ?  74  LYS   A CE   1 
ATOM   1175 N  NZ   . LYS   A 1 74  ? 36.226 13.354  -16.542 1.00 27.15 ?  74  LYS   A NZ   1 
ATOM   1176 H  H    . LYS   A 1 74  ? 36.268 9.048   -10.666 1.00 9.32  ?  74  LYS   A H    1 
ATOM   1177 H  HA   . LYS   A 1 74  ? 37.204 9.435   -13.164 1.00 10.17 ?  74  LYS   A HA   1 
ATOM   1178 H  HB2  . LYS   A 1 74  ? 35.066 10.499  -13.159 1.00 12.07 ?  74  LYS   A HB2  1 
ATOM   1179 H  HB3  . LYS   A 1 74  ? 35.574 11.439  -11.989 1.00 12.64 ?  74  LYS   A HB3  1 
ATOM   1180 H  HG2  . LYS   A 1 74  ? 36.994 12.538  -13.388 1.00 15.32 ?  74  LYS   A HG2  1 
ATOM   1181 H  HG3  . LYS   A 1 74  ? 36.759 11.465  -14.544 1.00 15.99 ?  74  LYS   A HG3  1 
ATOM   1182 H  HD2  . LYS   A 1 74  ? 34.598 12.214  -14.846 1.00 19.85 ?  74  LYS   A HD2  1 
ATOM   1183 H  HD3  . LYS   A 1 74  ? 34.723 13.193  -13.609 1.00 18.91 ?  74  LYS   A HD3  1 
ATOM   1184 H  HE2  . LYS   A 1 74  ? 34.883 14.447  -15.521 1.00 22.50 ?  74  LYS   A HE2  1 
ATOM   1185 H  HE3  . LYS   A 1 74  ? 36.323 14.437  -14.846 1.00 22.99 ?  74  LYS   A HE3  1 
ATOM   1186 H  HZ1  . LYS   A 1 74  ? 37.052 12.900  -16.359 1.00 24.56 ?  74  LYS   A HZ1  1 
ATOM   1187 H  HZ2  . LYS   A 1 74  ? 36.396 14.069  -17.159 1.00 25.24 ?  74  LYS   A HZ2  1 
ATOM   1188 H  HZ3  . LYS   A 1 74  ? 35.611 12.735  -16.944 1.00 25.64 ?  74  LYS   A HZ3  1 
ATOM   1189 N  N    . GLN   A 1 75  ? 39.061 10.818  -12.375 1.00 9.41  ?  75  GLN   A N    1 
ATOM   1190 C  CA   . GLN   A 1 75  ? 40.238 11.538  -11.914 1.00 10.01 ?  75  GLN   A CA   1 
ATOM   1191 C  C    . GLN   A 1 75  ? 40.213 12.947  -12.455 1.00 11.38 ?  75  GLN   A C    1 
ATOM   1192 O  O    . GLN   A 1 75  ? 40.051 13.139  -13.671 1.00 13.42 ?  75  GLN   A O    1 
ATOM   1193 C  CB   . GLN   A 1 75  ? 41.477 10.821  -12.421 1.00 10.12 ?  75  GLN   A CB   1 
ATOM   1194 C  CG   . GLN   A 1 75  ? 41.625 9.407   -11.905 1.00 10.12 ?  75  GLN   A CG   1 
ATOM   1195 C  CD   . GLN   A 1 75  ? 42.669 8.640   -12.668 1.00 11.07 ?  75  GLN   A CD   1 
ATOM   1196 O  OE1  . GLN   A 1 75  ? 43.831 9.031   -12.687 1.00 12.14 ?  75  GLN   A OE1  1 
ATOM   1197 N  NE2  . GLN   A 1 75  ? 42.282 7.558   -13.297 1.00 11.16 ?  75  GLN   A NE2  1 
ATOM   1198 H  H    . GLN   A 1 75  ? 39.115 10.598  -13.205 1.00 9.62  ?  75  GLN   A H    1 
ATOM   1199 H  HA   . GLN   A 1 75  ? 40.269 11.563  -10.935 1.00 10.19 ?  75  GLN   A HA   1 
ATOM   1200 H  HB2  . GLN   A 1 75  ? 41.442 10.785  -13.390 1.00 10.14 ?  75  GLN   A HB2  1 
ATOM   1201 H  HB3  . GLN   A 1 75  ? 42.261 11.320  -12.142 1.00 10.00 ?  75  GLN   A HB3  1 
ATOM   1202 H  HG2  . GLN   A 1 75  ? 41.903 9.438   -10.979 1.00 10.27 ?  75  GLN   A HG2  1 
ATOM   1203 H  HG3  . GLN   A 1 75  ? 40.778 8.943   -11.982 1.00 10.18 ?  75  GLN   A HG3  1 
ATOM   1204 H  HE21 . GLN   A 1 75  ? 42.855 7.088   -13.733 1.00 11.35 ?  75  GLN   A HE21 1 
ATOM   1205 H  HE22 . GLN   A 1 75  ? 41.457 7.312   -13.279 1.00 10.94 ?  75  GLN   A HE22 1 
ATOM   1206 N  N    . PHE   A 1 76  ? 40.369 13.933  -11.583 1.00 9.98  ?  76  PHE   A N    1 
ATOM   1207 C  CA   . PHE   A 1 76  ? 40.416 15.353  -11.959 1.00 10.74 ?  76  PHE   A CA   1 
ATOM   1208 C  C    . PHE   A 1 76  ? 41.818 15.889  -11.692 1.00 10.49 ?  76  PHE   A C    1 
ATOM   1209 O  O    . PHE   A 1 76  ? 42.112 16.368  -10.596 1.00 10.75 ?  76  PHE   A O    1 
ATOM   1210 C  CB   . PHE   A 1 76  ? 39.408 16.173  -11.165 1.00 11.30 ?  76  PHE   A CB   1 
ATOM   1211 C  CG   . PHE   A 1 76  ? 37.969 15.805  -11.421 1.00 11.92 ?  76  PHE   A CG   1 
ATOM   1212 C  CD1  . PHE   A 1 76  ? 37.342 14.822  -10.665 1.00 13.43 ?  76  PHE   A CD1  1 
ATOM   1213 C  CD2  . PHE   A 1 76  ? 37.214 16.480  -12.394 1.00 14.51 ?  76  PHE   A CD2  1 
ATOM   1214 C  CE1  . PHE   A 1 76  ? 36.017 14.494  -10.888 1.00 15.12 ?  76  PHE   A CE1  1 
ATOM   1215 C  CE2  . PHE   A 1 76  ? 35.887 16.149  -12.607 1.00 15.51 ?  76  PHE   A CE2  1 
ATOM   1216 C  CZ   . PHE   A 1 76  ? 35.289 15.163  -11.858 1.00 15.53 ?  76  PHE   A CZ   1 
ATOM   1217 H  H    . PHE   A 1 76  ? 40.453 13.810  -10.736 1.00 10.29 ?  76  PHE   A H    1 
ATOM   1218 H  HA   . PHE   A 1 76  ? 40.218 15.465  -12.912 1.00 10.69 ?  76  PHE   A HA   1 
ATOM   1219 H  HB2  . PHE   A 1 76  ? 39.575 16.044  -10.219 1.00 11.41 ?  76  PHE   A HB2  1 
ATOM   1220 H  HB3  . PHE   A 1 76  ? 39.518 17.109  -11.393 1.00 11.37 ?  76  PHE   A HB3  1 
ATOM   1221 H  HD1  . PHE   A 1 76  ? 37.824 14.368  -10.012 1.00 13.13 ?  76  PHE   A HD1  1 
ATOM   1222 H  HD2  . PHE   A 1 76  ? 37.610 17.149  -12.904 1.00 13.62 ?  76  PHE   A HD2  1 
ATOM   1223 H  HE1  . PHE   A 1 76  ? 35.612 13.828  -10.383 1.00 13.49 ?  76  PHE   A HE1  1 
ATOM   1224 H  HE2  . PHE   A 1 76  ? 35.398 16.594  -13.261 1.00 12.41 ?  76  PHE   A HE2  1 
ATOM   1225 H  HZ   . PHE   A 1 76  ? 34.399 14.940  -12.007 1.00 15.55 ?  76  PHE   A HZ   1 
ATOM   1226 N  N    . ARG   A 1 77  ? 42.710 15.743  -12.656 1.00 11.78 ?  77  ARG   A N    1 
ATOM   1227 C  CA   A ARG   A 1 77  ? 44.057 16.265  -12.535 0.70 13.14 ?  77  ARG   A CA   1 
ATOM   1228 C  CA   B ARG   A 1 77  ? 44.059 16.298  -12.550 0.30 12.63 ?  77  ARG   A CA   1 
ATOM   1229 C  C    . ARG   A 1 77  ? 43.993 17.781  -12.750 1.00 13.22 ?  77  ARG   A C    1 
ATOM   1230 O  O    . ARG   A 1 77  ? 43.229 18.268  -13.573 1.00 14.54 ?  77  ARG   A O    1 
ATOM   1231 C  CB   A ARG   A 1 77  ? 44.950 15.578  -13.579 0.70 17.25 ?  77  ARG   A CB   1 
ATOM   1232 C  CB   B ARG   A 1 77  ? 44.973 15.755  -13.635 0.30 13.71 ?  77  ARG   A CB   1 
ATOM   1233 C  CG   A ARG   A 1 77  ? 46.426 15.524  -13.249 0.70 17.77 ?  77  ARG   A CG   1 
ATOM   1234 C  CG   B ARG   A 1 77  ? 45.480 14.364  -13.374 0.30 12.90 ?  77  ARG   A CG   1 
ATOM   1235 C  CD   A ARG   A 1 77  ? 47.192 14.616  -14.201 0.70 18.40 ?  77  ARG   A CD   1 
ATOM   1236 C  CD   B ARG   A 1 77  ? 46.669 14.065  -14.264 0.30 14.04 ?  77  ARG   A CD   1 
ATOM   1237 N  NE   A ARG   A 1 77  ? 47.018 14.994  -15.605 0.70 20.89 ?  77  ARG   A NE   1 
ATOM   1238 N  NE   B ARG   A 1 77  ? 46.256 13.981  -15.654 0.30 16.09 ?  77  ARG   A NE   1 
ATOM   1239 C  CZ   A ARG   A 1 77  ? 47.496 14.300  -16.632 0.70 25.73 ?  77  ARG   A CZ   1 
ATOM   1240 C  CZ   B ARG   A 1 77  ? 47.098 13.946  -16.677 0.30 17.25 ?  77  ARG   A CZ   1 
ATOM   1241 N  NH1  A ARG   A 1 77  ? 48.182 13.169  -16.430 0.70 28.35 ?  77  ARG   A NH1  1 
ATOM   1242 N  NH1  B ARG   A 1 77  ? 48.415 14.020  -16.469 0.30 15.61 ?  77  ARG   A NH1  1 
ATOM   1243 N  NH2  A ARG   A 1 77  ? 47.276 14.731  -17.872 0.70 25.98 ?  77  ARG   A NH2  1 
ATOM   1244 N  NH2  B ARG   A 1 77  ? 46.618 13.858  -17.909 0.30 17.89 ?  77  ARG   A NH2  1 
ATOM   1245 H  H    . ARG   A 1 77  ? 42.549 15.334  -13.395 1.00 11.76 ?  77  ARG   A H    1 
ATOM   1246 H  HA   A ARG   A 1 77  ? 44.418 16.080  -11.643 0.70 12.95 ?  77  ARG   A HA   1 
ATOM   1247 H  HA   B ARG   A 1 77  ? 44.447 16.100  -11.673 0.30 12.48 ?  77  ARG   A HA   1 
ATOM   1248 H  HB2  A ARG   A 1 77  ? 44.653 14.661  -13.686 0.70 16.36 ?  77  ARG   A HB2  1 
ATOM   1249 H  HB2  B ARG   A 1 77  ? 44.493 15.742  -14.478 0.30 13.48 ?  77  ARG   A HB2  1 
ATOM   1250 H  HB3  A ARG   A 1 77  ? 44.853 16.048  -14.422 0.70 16.45 ?  77  ARG   A HB3  1 
ATOM   1251 H  HB3  B ARG   A 1 77  ? 45.748 16.334  -13.713 0.30 13.54 ?  77  ARG   A HB3  1 
ATOM   1252 H  HG2  A ARG   A 1 77  ? 46.804 16.416  -13.301 0.70 17.37 ?  77  ARG   A HG2  1 
ATOM   1253 H  HG2  B ARG   A 1 77  ? 45.765 14.293  -12.449 0.30 13.26 ?  77  ARG   A HG2  1 
ATOM   1254 H  HG3  A ARG   A 1 77  ? 46.521 15.166  -12.355 0.70 16.40 ?  77  ARG   A HG3  1 
ATOM   1255 H  HG3  B ARG   A 1 77  ? 44.781 13.720  -13.565 0.30 12.96 ?  77  ARG   A HG3  1 
ATOM   1256 H  HD2  A ARG   A 1 77  ? 48.138 14.660  -13.992 0.70 18.36 ?  77  ARG   A HD2  1 
ATOM   1257 H  HD2  B ARG   A 1 77  ? 47.320 14.780  -14.181 0.30 14.28 ?  77  ARG   A HD2  1 
ATOM   1258 H  HD3  A ARG   A 1 77  ? 46.868 13.708  -14.091 0.70 18.92 ?  77  ARG   A HD3  1 
ATOM   1259 H  HD3  B ARG   A 1 77  ? 47.065 13.219  -14.009 0.30 13.70 ?  77  ARG   A HD3  1 
ATOM   1260 H  HE   A ARG   A 1 77  ? 46.750 15.910  -15.779 0.70 20.63 ?  77  ARG   A HE   1 
ATOM   1261 H  HE   B ARG   A 1 77  ? 45.307 14.024  -15.848 0.30 15.77 ?  77  ARG   A HE   1 
ATOM   1262 H  HH11 A ARG   A 1 77  ? 48.330 12.878  -15.635 0.70 26.14 ?  77  ARG   A HH11 1 
ATOM   1263 H  HH11 B ARG   A 1 77  ? 48.722 14.075  -15.668 0.30 15.76 ?  77  ARG   A HH11 1 
ATOM   1264 H  HH12 A ARG   A 1 77  ? 48.484 12.728  -17.103 0.70 26.28 ?  77  ARG   A HH12 1 
ATOM   1265 H  HH12 B ARG   A 1 77  ? 48.957 14.001  -17.137 0.30 15.59 ?  77  ARG   A HH12 1 
ATOM   1266 H  HH21 A ARG   A 1 77  ? 46.834 15.457  -18.006 0.70 24.97 ?  77  ARG   A HH21 1 
ATOM   1267 H  HH21 B ARG   A 1 77  ? 45.769 13.818  -18.038 0.30 17.24 ?  77  ARG   A HH21 1 
ATOM   1268 H  HH22 A ARG   A 1 77  ? 47.580 14.288  -18.544 0.70 26.09 ?  77  ARG   A HH22 1 
ATOM   1269 H  HH22 B ARG   A 1 77  ? 47.156 13.844  -18.580 0.30 17.25 ?  77  ARG   A HH22 1 
ATOM   1270 N  N    . HIS   A 1 78  ? 44.805 18.539  -12.038 1.00 12.11 ?  78  HIS   A N    1 
ATOM   1271 C  CA   . HIS   A 1 78  ? 44.821 19.978  -12.249 1.00 13.18 ?  78  HIS   A CA   1 
ATOM   1272 C  C    . HIS   A 1 78  ? 45.107 20.238  -13.733 1.00 14.03 ?  78  HIS   A C    1 
ATOM   1273 O  O    . HIS   A 1 78  ? 46.005 19.627  -14.296 1.00 13.01 ?  78  HIS   A O    1 
ATOM   1274 C  CB   . HIS   A 1 78  ? 45.884 20.664  -11.409 1.00 13.78 ?  78  HIS   A CB   1 
ATOM   1275 C  CG   . HIS   A 1 78  ? 45.685 22.136  -11.332 1.00 14.14 ?  78  HIS   A CG   1 
ATOM   1276 N  ND1  . HIS   A 1 78  ? 46.008 22.983  -12.375 1.00 15.86 ?  78  HIS   A ND1  1 
ATOM   1277 C  CD2  . HIS   A 1 78  ? 45.148 22.915  -10.363 1.00 15.14 ?  78  HIS   A CD2  1 
ATOM   1278 C  CE1  . HIS   A 1 78  ? 45.701 24.220  -12.035 1.00 16.95 ?  78  HIS   A CE1  1 
ATOM   1279 N  NE2  . HIS   A 1 78  ? 45.157 24.207  -10.833 1.00 16.74 ?  78  HIS   A NE2  1 
ATOM   1280 H  H    . HIS   A 1 78  ? 45.349 18.251  -11.437 1.00 12.26 ?  78  HIS   A H    1 
ATOM   1281 H  HA   . HIS   A 1 78  ? 43.946 20.345  -12.009 1.00 13.67 ?  78  HIS   A HA   1 
ATOM   1282 H  HB2  . HIS   A 1 78  ? 45.847 20.312  -10.507 1.00 13.52 ?  78  HIS   A HB2  1 
ATOM   1283 H  HB3  . HIS   A 1 78  ? 46.758 20.497  -11.795 1.00 14.06 ?  78  HIS   A HB3  1 
ATOM   1284 H  HD1  . HIS   A 1 78  ? 46.376 22.741  -13.098 1.00 15.88 ?  78  HIS   A HD1  1 
ATOM   1285 H  HD2  . HIS   A 1 78  ? 44.812 22.627  -9.544  1.00 15.02 ?  78  HIS   A HD2  1 
ATOM   1286 H  HE1  . HIS   A 1 78  ? 45.833 24.975  -12.561 1.00 16.42 ?  78  HIS   A HE1  1 
ATOM   1287 H  HE2  . HIS   A 1 78  ? 44.887 24.899  -10.399 1.00 16.74 ?  78  HIS   A HE2  1 
ATOM   1288 N  N    . PRO   A 1 79  ? 44.320 21.139  -14.360 1.00 15.44 ?  79  PRO   A N    1 
ATOM   1289 C  CA   . PRO   A 1 79  ? 44.486 21.320  -15.801 1.00 16.45 ?  79  PRO   A CA   1 
ATOM   1290 C  C    . PRO   A 1 79  ? 45.822 21.936  -16.232 1.00 16.65 ?  79  PRO   A C    1 
ATOM   1291 O  O    . PRO   A 1 79  ? 46.185 21.820  -17.405 1.00 18.90 ?  79  PRO   A O    1 
ATOM   1292 C  CB   . PRO   A 1 79  ? 43.332 22.249  -16.171 1.00 18.17 ?  79  PRO   A CB   1 
ATOM   1293 C  CG   . PRO   A 1 79  ? 42.996 22.967  -14.924 1.00 19.07 ?  79  PRO   A CG   1 
ATOM   1294 C  CD   . PRO   A 1 79  ? 43.188 21.926  -13.850 1.00 16.80 ?  79  PRO   A CD   1 
ATOM   1295 H  HA   . PRO   A 1 79  ? 44.365 20.464  -16.263 1.00 16.99 ?  79  PRO   A HA   1 
ATOM   1296 H  HB2  . PRO   A 1 79  ? 43.611 22.871  -16.861 1.00 17.03 ?  79  PRO   A HB2  1 
ATOM   1297 H  HB3  . PRO   A 1 79  ? 42.576 21.721  -16.473 1.00 17.21 ?  79  PRO   A HB3  1 
ATOM   1298 H  HG2  . PRO   A 1 79  ? 43.604 23.712  -14.797 1.00 18.81 ?  79  PRO   A HG2  1 
ATOM   1299 H  HG3  . PRO   A 1 79  ? 42.075 23.270  -14.954 1.00 17.94 ?  79  PRO   A HG3  1 
ATOM   1300 H  HD2  . PRO   A 1 79  ? 43.413 22.353  -13.009 1.00 16.43 ?  79  PRO   A HD2  1 
ATOM   1301 H  HD3  . PRO   A 1 79  ? 42.396 21.371  -13.769 1.00 16.47 ?  79  PRO   A HD3  1 
ATOM   1302 N  N    . LYS   A 1 80  ? 46.541 22.570  -15.308 1.00 15.95 ?  80  LYS   A N    1 
ATOM   1303 C  CA   . LYS   A 1 80  ? 47.854 23.154  -15.597 1.00 15.87 ?  80  LYS   A CA   1 
ATOM   1304 C  C    . LYS   A 1 80  ? 49.005 22.264  -15.116 1.00 15.15 ?  80  LYS   A C    1 
ATOM   1305 O  O    . LYS   A 1 80  ? 50.169 22.640  -15.237 1.00 15.75 ?  80  LYS   A O    1 
ATOM   1306 C  CB   . LYS   A 1 80  ? 47.963 24.542  -14.963 1.00 17.96 ?  80  LYS   A CB   1 
ATOM   1307 C  CG   . LYS   A 1 80  ? 46.947 25.552  -15.465 1.00 21.37 ?  80  LYS   A CG   1 
ATOM   1308 C  CD   . LYS   A 1 80  ? 47.071 26.861  -14.705 1.00 26.93 ?  80  LYS   A CD   1 
ATOM   1309 C  CE   . LYS   A 1 80  ? 46.005 27.857  -15.136 1.00 29.95 ?  80  LYS   A CE   1 
ATOM   1310 N  NZ   . LYS   A 1 80  ? 46.220 29.199  -14.529 1.00 35.74 ?  80  LYS   A NZ   1 
ATOM   1311 H  H    . LYS   A 1 80  ? 46.278 22.700  -14.515 1.00 16.50 ?  80  LYS   A H    1 
ATOM   1312 H  HA   . LYS   A 1 80  ? 47.957 23.270  -16.565 1.00 16.06 ?  80  LYS   A HA   1 
ATOM   1313 H  HB2  . LYS   A 1 80  ? 47.840 24.455  -14.004 1.00 18.14 ?  80  LYS   A HB2  1 
ATOM   1314 H  HB3  . LYS   A 1 80  ? 48.844 24.902  -15.147 1.00 17.82 ?  80  LYS   A HB3  1 
ATOM   1315 H  HG2  . LYS   A 1 80  ? 47.105 25.727  -16.406 1.00 21.22 ?  80  LYS   A HG2  1 
ATOM   1316 H  HG3  . LYS   A 1 80  ? 46.051 25.206  -15.331 1.00 20.83 ?  80  LYS   A HG3  1 
ATOM   1317 H  HD2  . LYS   A 1 80  ? 46.966 26.693  -13.756 1.00 25.24 ?  80  LYS   A HD2  1 
ATOM   1318 H  HD3  . LYS   A 1 80  ? 47.941 27.252  -14.882 1.00 26.07 ?  80  LYS   A HD3  1 
ATOM   1319 H  HE2  . LYS   A 1 80  ? 46.029 27.954  -16.100 1.00 29.64 ?  80  LYS   A HE2  1 
ATOM   1320 H  HE3  . LYS   A 1 80  ? 45.135 27.534  -14.854 1.00 29.46 ?  80  LYS   A HE3  1 
ATOM   1321 H  HZ1  . LYS   A 1 80  ? 46.184 29.135  -13.571 1.00 33.31 ?  80  LYS   A HZ1  1 
ATOM   1322 H  HZ2  . LYS   A 1 80  ? 45.539 29.806  -14.827 1.00 34.31 ?  80  LYS   A HZ2  1 
ATOM   1323 H  HZ3  . LYS   A 1 80  ? 47.079 29.541  -14.786 1.00 33.59 ?  80  LYS   A HZ3  1 
ATOM   1324 N  N    . TYR   A 1 81  ? 48.699 21.074  -14.592 1.00 13.27 ?  81  TYR   A N    1 
ATOM   1325 C  CA   . TYR   A 1 81  ? 49.753 20.169  -14.193 1.00 13.18 ?  81  TYR   A CA   1 
ATOM   1326 C  C    . TYR   A 1 81  ? 50.789 19.960  -15.295 1.00 13.63 ?  81  TYR   A C    1 
ATOM   1327 O  O    . TYR   A 1 81  ? 50.449 19.687  -16.433 1.00 16.27 ?  81  TYR   A O    1 
ATOM   1328 C  CB   . TYR   A 1 81  ? 49.162 18.837  -13.740 1.00 12.79 ?  81  TYR   A CB   1 
ATOM   1329 C  CG   . TYR   A 1 81  ? 50.195 17.784  -13.474 1.00 11.72 ?  81  TYR   A CG   1 
ATOM   1330 C  CD1  . TYR   A 1 81  ? 51.164 17.957  -12.473 1.00 12.87 ?  81  TYR   A CD1  1 
ATOM   1331 C  CD2  . TYR   A 1 81  ? 50.225 16.617  -14.212 1.00 15.12 ?  81  TYR   A CD2  1 
ATOM   1332 C  CE1  . TYR   A 1 81  ? 52.120 16.995  -12.233 1.00 14.09 ?  81  TYR   A CE1  1 
ATOM   1333 C  CE2  . TYR   A 1 81  ? 51.177 15.653  -13.979 1.00 15.47 ?  81  TYR   A CE2  1 
ATOM   1334 C  CZ   . TYR   A 1 81  ? 52.115 15.843  -12.990 1.00 13.94 ?  81  TYR   A CZ   1 
ATOM   1335 O  OH   . TYR   A 1 81  ? 53.051 14.878  -12.774 1.00 17.31 ?  81  TYR   A OH   1 
ATOM   1336 H  H    . TYR   A 1 81  ? 47.903 20.778  -14.461 1.00 13.56 ?  81  TYR   A H    1 
ATOM   1337 H  HA   . TYR   A 1 81  ? 50.210 20.557  -13.422 1.00 13.55 ?  81  TYR   A HA   1 
ATOM   1338 H  HB2  . TYR   A 1 81  ? 48.667 18.979  -12.918 1.00 12.95 ?  81  TYR   A HB2  1 
ATOM   1339 H  HB3  . TYR   A 1 81  ? 48.564 18.508  -14.430 1.00 13.28 ?  81  TYR   A HB3  1 
ATOM   1340 H  HD1  . TYR   A 1 81  ? 51.163 18.736  -11.966 1.00 13.25 ?  81  TYR   A HD1  1 
ATOM   1341 H  HD2  . TYR   A 1 81  ? 49.595 16.481  -14.883 1.00 14.80 ?  81  TYR   A HD2  1 
ATOM   1342 H  HE1  . TYR   A 1 81  ? 52.757 17.119  -11.567 1.00 14.39 ?  81  TYR   A HE1  1 
ATOM   1343 H  HE2  . TYR   A 1 81  ? 51.184 14.872  -14.484 1.00 15.02 ?  81  TYR   A HE2  1 
ATOM   1344 H  HH   . TYR   A 1 81  ? 52.987 14.602  -11.998 0.00 16.06 ?  81  TYR   A HH   1 
ATOM   1345 N  N    . ASN   A 1 82  ? 52.055 20.103  -14.930 1.00 13.83 ?  82  ASN   A N    1 
ATOM   1346 C  CA   . ASN   A 1 82  ? 53.149 20.046  -15.868 1.00 14.40 ?  82  ASN   A CA   1 
ATOM   1347 C  C    . ASN   A 1 82  ? 54.077 18.918  -15.487 1.00 14.72 ?  82  ASN   A C    1 
ATOM   1348 O  O    . ASN   A 1 82  ? 54.649 18.925  -14.404 1.00 15.05 ?  82  ASN   A O    1 
ATOM   1349 C  CB   . ASN   A 1 82  ? 53.872 21.392  -15.859 1.00 16.41 ?  82  ASN   A CB   1 
ATOM   1350 C  CG   . ASN   A 1 82  ? 54.979 21.485  -16.897 1.00 17.00 ?  82  ASN   A CG   1 
ATOM   1351 O  OD1  . ASN   A 1 82  ? 55.851 20.641  -16.966 1.00 15.63 ?  82  ASN   A OD1  1 
ATOM   1352 N  ND2  . ASN   A 1 82  ? 54.940 22.523  -17.707 1.00 23.24 ?  82  ASN   A ND2  1 
ATOM   1353 H  H    . ASN   A 1 82  ? 52.311 20.237  -14.120 1.00 13.78 ?  82  ASN   A H    1 
ATOM   1354 H  HA   . ASN   A 1 82  ? 52.817 19.889  -16.775 1.00 15.16 ?  82  ASN   A HA   1 
ATOM   1355 H  HB2  . ASN   A 1 82  ? 53.224 22.092  -16.033 1.00 16.74 ?  82  ASN   A HB2  1 
ATOM   1356 H  HB3  . ASN   A 1 82  ? 54.266 21.523  -14.984 1.00 16.45 ?  82  ASN   A HB3  1 
ATOM   1357 H  HD21 . ASN   A 1 82  ? 55.612 22.612  -18.415 1.00 20.05 ?  82  ASN   A HD21 1 
ATOM   1358 H  HD22 . ASN   A 1 82  ? 54.245 23.207  -17.608 1.00 20.62 ?  82  ASN   A HD22 1 
ATOM   1359 N  N    . THR   A 1 83  ? 54.226 17.924  -16.357 1.00 17.03 ?  83  THR   A N    1 
ATOM   1360 C  CA   . THR   A 1 83  ? 54.996 16.726  -16.047 1.00 19.52 ?  83  THR   A CA   1 
ATOM   1361 C  C    . THR   A 1 83  ? 56.504 16.959  -16.006 1.00 19.02 ?  83  THR   A C    1 
ATOM   1362 O  O    . THR   A 1 83  ? 57.234 16.102  -15.524 1.00 24.19 ?  83  THR   A O    1 
ATOM   1363 C  CB   . THR   A 1 83  ? 54.708 15.596  -17.047 1.00 21.13 ?  83  THR   A CB   1 
ATOM   1364 O  OG1  . THR   A 1 83  ? 55.057 16.034  -18.361 1.00 23.74 ?  83  THR   A OG1  1 
ATOM   1365 C  CG2  . THR   A 1 83  ? 53.239 15.193  -17.009 1.00 22.18 ?  83  THR   A CG2  1 
ATOM   1366 H  H    . THR   A 1 83  ? 53.890 17.927  -17.149 1.00 17.04 ?  83  THR   A H    1 
ATOM   1367 H  HA   . THR   A 1 83  ? 54.726 16.403  -15.162 1.00 19.24 ?  83  THR   A HA   1 
ATOM   1368 H  HB   . THR   A 1 83  ? 55.240 14.818  -16.817 1.00 21.07 ?  83  THR   A HB   1 
ATOM   1369 H  HG1  . THR   A 1 83  ? 54.887 15.438  -18.917 0.00 22.43 ?  83  THR   A HG1  1 
ATOM   1370 H  HG21 . THR   A 1 83  ? 52.991 14.941  -16.117 1.00 21.62 ?  83  THR   A HG21 1 
ATOM   1371 H  HG22 . THR   A 1 83  ? 53.090 14.447  -17.595 1.00 21.36 ?  83  THR   A HG22 1 
ATOM   1372 H  HG23 . THR   A 1 83  ? 52.686 15.924  -17.292 1.00 22.31 ?  83  THR   A HG23 1 
ATOM   1373 N  N    . SER   A 1 84  ? 56.956 18.110  -16.508 1.00 19.30 ?  84  SER   A N    1 
ATOM   1374 C  CA   . SER   A 1 84  ? 58.367 18.483  -16.498 1.00 20.99 ?  84  SER   A CA   1 
ATOM   1375 C  C    . SER   A 1 84  ? 58.746 19.271  -15.241 1.00 19.72 ?  84  SER   A C    1 
ATOM   1376 O  O    . SER   A 1 84  ? 59.733 18.935  -14.575 1.00 23.95 ?  84  SER   A O    1 
ATOM   1377 C  CB   . SER   A 1 84  ? 58.730 19.317  -17.733 1.00 24.16 ?  84  SER   A CB   1 
ATOM   1378 O  OG   . SER   A 1 84  ? 58.579 18.568  -18.921 1.00 31.33 ?  84  SER   A OG   1 
ATOM   1379 H  H    . SER   A 1 84  ? 56.457 18.704  -16.878 1.00 19.96 ?  84  SER   A H    1 
ATOM   1380 H  HA   . SER   A 1 84  ? 58.919 17.674  -16.520 1.00 21.10 ?  84  SER   A HA   1 
ATOM   1381 H  HB2  . SER   A 1 84  ? 58.156 20.096  -17.777 1.00 23.89 ?  84  SER   A HB2  1 
ATOM   1382 H  HB3  . SER   A 1 84  ? 59.656 19.597  -17.660 1.00 23.80 ?  84  SER   A HB3  1 
ATOM   1383 H  HG   . SER   A 1 84  ? 58.779 18.990  -19.580 0.00 26.79 ?  84  SER   A HG   1 
ATOM   1384 N  N    . THR   A 1 85  ? 58.005 20.337  -14.952 1.00 15.55 ?  85  THR   A N    1 
ATOM   1385 C  CA   . THR   A 1 85  ? 58.298 21.187  -13.784 1.00 14.34 ?  85  THR   A CA   1 
ATOM   1386 C  C    . THR   A 1 85  ? 57.654 20.637  -12.500 1.00 13.40 ?  85  THR   A C    1 
ATOM   1387 O  O    . THR   A 1 85  ? 58.065 21.026  -11.401 1.00 13.57 ?  85  THR   A O    1 
ATOM   1388 C  CB   . THR   A 1 85  ? 57.756 22.603  -13.966 1.00 14.78 ?  85  THR   A CB   1 
ATOM   1389 O  OG1  . THR   A 1 85  ? 56.332 22.531  -14.110 1.00 14.12 ?  85  THR   A OG1  1 
ATOM   1390 C  CG2  . THR   A 1 85  ? 58.381 23.277  -15.184 1.00 16.26 ?  85  THR   A CG2  1 
ATOM   1391 H  H    . THR   A 1 85  ? 57.325 20.593  -15.413 1.00 16.27 ?  85  THR   A H    1 
ATOM   1392 H  HA   . THR   A 1 85  ? 59.267 21.248  -13.646 1.00 14.71 ?  85  THR   A HA   1 
ATOM   1393 H  HB   . THR   A 1 85  ? 57.971 23.133  -13.183 1.00 14.79 ?  85  THR   A HB   1 
ATOM   1394 H  HG1  . THR   A 1 85  ? 56.024 23.299  -14.214 0.00 14.55 ?  85  THR   A HG1  1 
ATOM   1395 H  HG21 . THR   A 1 85  ? 59.338 23.269  -15.107 1.00 15.99 ?  85  THR   A HG21 1 
ATOM   1396 H  HG22 . THR   A 1 85  ? 58.081 24.187  -15.245 1.00 16.20 ?  85  THR   A HG22 1 
ATOM   1397 H  HG23 . THR   A 1 85  ? 58.128 22.812  -15.985 1.00 16.42 ?  85  THR   A HG23 1 
ATOM   1398 N  N    . LEU   A 1 86  ? 56.670 19.755  -12.646 1.00 12.68 ?  86  LEU   A N    1 
ATOM   1399 C  CA   . LEU   A 1 86  ? 55.810 19.271  -11.550 1.00 11.71 ?  86  LEU   A CA   1 
ATOM   1400 C  C    . LEU   A 1 86  ? 55.006 20.370  -10.872 1.00 11.42 ?  86  LEU   A C    1 
ATOM   1401 O  O    . LEU   A 1 86  ? 54.448 20.150  -9.811  1.00 11.04 ?  86  LEU   A O    1 
ATOM   1402 C  CB   . LEU   A 1 86  ? 56.576 18.395  -10.547 1.00 13.58 ?  86  LEU   A CB   1 
ATOM   1403 C  CG   . LEU   A 1 86  ? 57.249 17.161  -11.169 1.00 16.63 ?  86  LEU   A CG   1 
ATOM   1404 C  CD1  . LEU   A 1 86  ? 58.009 16.390  -10.111 1.00 18.87 ?  86  LEU   A CD1  1 
ATOM   1405 C  CD2  . LEU   A 1 86  ? 56.224 16.278  -11.867 1.00 18.49 ?  86  LEU   A CD2  1 
ATOM   1406 H  H    . LEU   A 1 86  ? 56.460 19.399  -13.399 1.00 12.98 ?  86  LEU   A H    1 
ATOM   1407 H  HA   . LEU   A 1 86  ? 55.137 18.688  -11.953 1.00 12.29 ?  86  LEU   A HA   1 
ATOM   1408 H  HB2  . LEU   A 1 86  ? 57.267 18.927  -10.124 1.00 13.89 ?  86  LEU   A HB2  1 
ATOM   1409 H  HB3  . LEU   A 1 86  ? 55.956 18.074  -9.874  1.00 13.75 ?  86  LEU   A HB3  1 
ATOM   1410 H  HG   . LEU   A 1 86  ? 57.889 17.456  -11.836 1.00 16.72 ?  86  LEU   A HG   1 
ATOM   1411 H  HD11 . LEU   A 1 86  ? 58.684 16.959  -9.734  1.00 19.26 ?  86  LEU   A HD11 1 
ATOM   1412 H  HD12 . LEU   A 1 86  ? 58.418 15.622  -10.516 1.00 18.04 ?  86  LEU   A HD12 1 
ATOM   1413 H  HD13 . LEU   A 1 86  ? 57.396 16.112  -9.426  1.00 18.38 ?  86  LEU   A HD13 1 
ATOM   1414 H  HD21 . LEU   A 1 86  ? 55.470 16.155  -11.284 1.00 18.20 ?  86  LEU   A HD21 1 
ATOM   1415 H  HD22 . LEU   A 1 86  ? 56.629 15.428  -12.064 1.00 17.57 ?  86  LEU   A HD22 1 
ATOM   1416 H  HD23 . LEU   A 1 86  ? 55.944 16.699  -12.684 1.00 17.15 ?  86  LEU   A HD23 1 
ATOM   1417 N  N    . HIS   A 1 87  ? 54.860 21.539  -11.492 1.00 10.66 ?  87  HIS   A N    1 
ATOM   1418 C  CA   . HIS   A 1 87  ? 53.936 22.536  -10.972 1.00 10.46 ?  87  HIS   A CA   1 
ATOM   1419 C  C    . HIS   A 1 87  ? 52.516 21.985  -11.020 1.00 9.89  ?  87  HIS   A C    1 
ATOM   1420 O  O    . HIS   A 1 87  ? 52.141 21.249  -11.947 1.00 11.20 ?  87  HIS   A O    1 
ATOM   1421 C  CB   . HIS   A 1 87  ? 54.000 23.832  -11.787 1.00 11.72 ?  87  HIS   A CB   1 
ATOM   1422 C  CG   . HIS   A 1 87  ? 55.235 24.632  -11.549 1.00 13.60 ?  87  HIS   A CG   1 
ATOM   1423 N  ND1  . HIS   A 1 87  ? 55.496 25.804  -12.216 1.00 16.13 ?  87  HIS   A ND1  1 
ATOM   1424 C  CD2  . HIS   A 1 87  ? 56.261 24.451  -10.691 1.00 14.75 ?  87  HIS   A CD2  1 
ATOM   1425 C  CE1  . HIS   A 1 87  ? 56.638 26.306  -11.793 1.00 17.50 ?  87  HIS   A CE1  1 
ATOM   1426 N  NE2  . HIS   A 1 87  ? 57.130 25.504  -10.872 1.00 14.47 ?  87  HIS   A NE2  1 
ATOM   1427 H  H    . HIS   A 1 87  ? 55.269 21.777  -12.208 1.00 10.79 ?  87  HIS   A H    1 
ATOM   1428 H  HA   . HIS   A 1 87  ? 54.164 22.742  -10.042 1.00 10.69 ?  87  HIS   A HA   1 
ATOM   1429 H  HB2  . HIS   A 1 87  ? 53.963 23.614  -12.732 1.00 12.00 ?  87  HIS   A HB2  1 
ATOM   1430 H  HB3  . HIS   A 1 87  ? 53.241 24.388  -11.551 1.00 12.02 ?  87  HIS   A HB3  1 
ATOM   1431 H  HD1  . HIS   A 1 87  ? 54.993 26.154  -12.820 1.00 14.16 ?  87  HIS   A HD1  1 
ATOM   1432 H  HD2  . HIS   A 1 87  ? 56.369 23.742  -10.099 1.00 14.21 ?  87  HIS   A HD2  1 
ATOM   1433 H  HE1  . HIS   A 1 87  ? 57.036 27.087  -12.101 1.00 16.26 ?  87  HIS   A HE1  1 
ATOM   1434 H  HE2  . HIS   A 1 87  ? 57.870 25.621  -10.448 1.00 14.64 ?  87  HIS   A HE2  1 
ATOM   1435 N  N    . HIS   A 1 88  ? 51.729 22.402  -10.031 1.00 10.24 ?  88  HIS   A N    1 
ATOM   1436 C  CA   . HIS   A 1 88  ? 50.306 22.054  -9.942  1.00 10.55 ?  88  HIS   A CA   1 
ATOM   1437 C  C    . HIS   A 1 88  ? 50.073 20.553  -9.803  1.00 10.32 ?  88  HIS   A C    1 
ATOM   1438 O  O    . HIS   A 1 88  ? 49.183 19.989  -10.422 1.00 10.22 ?  88  HIS   A O    1 
ATOM   1439 C  CB   . HIS   A 1 88  ? 49.533 22.656  -11.135 1.00 11.72 ?  88  HIS   A CB   1 
ATOM   1440 C  CG   . HIS   A 1 88  ? 49.932 24.065  -11.410 1.00 12.85 ?  88  HIS   A CG   1 
ATOM   1441 N  ND1  . HIS   A 1 88  ? 50.463 24.481  -12.608 1.00 16.13 ?  88  HIS   A ND1  1 
ATOM   1442 C  CD2  . HIS   A 1 88  ? 49.915 25.143  -10.604 1.00 12.89 ?  88  HIS   A CD2  1 
ATOM   1443 C  CE1  . HIS   A 1 88  ? 50.749 25.771  -12.520 1.00 14.59 ?  88  HIS   A CE1  1 
ATOM   1444 N  NE2  . HIS   A 1 88  ? 50.408 26.194  -11.324 1.00 16.63 ?  88  HIS   A NE2  1 
ATOM   1445 H  H    . HIS   A 1 88  ? 51.995 22.899  -9.381  1.00 10.53 ?  88  HIS   A H    1 
ATOM   1446 H  HA   . HIS   A 1 88  ? 49.946 22.469  -9.132  1.00 10.98 ?  88  HIS   A HA   1 
ATOM   1447 H  HB2  . HIS   A 1 88  ? 49.706 22.134  -11.931 1.00 12.01 ?  88  HIS   A HB2  1 
ATOM   1448 H  HB3  . HIS   A 1 88  ? 48.584 22.647  -10.932 1.00 11.88 ?  88  HIS   A HB3  1 
ATOM   1449 H  HD1  . HIS   A 1 88  ? 50.603 23.983  -13.295 1.00 15.44 ?  88  HIS   A HD1  1 
ATOM   1450 H  HD2  . HIS   A 1 88  ? 49.603 25.181  -9.741  1.00 13.17 ?  88  HIS   A HD2  1 
ATOM   1451 H  HE1  . HIS   A 1 88  ? 51.104 26.295  -13.192 1.00 13.34 ?  88  HIS   A HE1  1 
ATOM   1452 H  HE2  . HIS   A 1 88  ? 50.493 27.000  -11.036 1.00 15.29 ?  88  HIS   A HE2  1 
ATOM   1453 N  N    . ASP   A 1 89  ? 50.873 19.929  -8.945  1.00 9.95  ?  89  ASP   A N    1 
ATOM   1454 C  CA   . ASP   A 1 89  ? 50.814 18.482  -8.716  1.00 9.50  ?  89  ASP   A CA   1 
ATOM   1455 C  C    . ASP   A 1 89  ? 49.702 18.186  -7.707  1.00 9.83  ?  89  ASP   A C    1 
ATOM   1456 O  O    . ASP   A 1 89  ? 49.930 17.896  -6.522  1.00 12.54 ?  89  ASP   A O    1 
ATOM   1457 C  CB   . ASP   A 1 89  ? 52.165 17.980  -8.212  1.00 9.23  ?  89  ASP   A CB   1 
ATOM   1458 C  CG   . ASP   A 1 89  ? 52.277 16.489  -8.224  1.00 8.38  ?  89  ASP   A CG   1 
ATOM   1459 O  OD1  . ASP   A 1 89  ? 51.402 15.827  -8.827  1.00 9.49  ?  89  ASP   A OD1  1 
ATOM   1460 O  OD2  . ASP   A 1 89  ? 53.227 15.953  -7.632  1.00 8.51  ?  89  ASP   A OD2  1 
ATOM   1461 H  H    . ASP   A 1 89  ? 51.468 20.327  -8.468  1.00 9.96  ?  89  ASP   A H    1 
ATOM   1462 H  HA   . ASP   A 1 89  ? 50.605 18.029  -9.559  1.00 9.66  ?  89  ASP   A HA   1 
ATOM   1463 H  HB2  . ASP   A 1 89  ? 52.860 18.329  -8.790  1.00 9.11  ?  89  ASP   A HB2  1 
ATOM   1464 H  HB3  . ASP   A 1 89  ? 52.308 18.288  -7.304  1.00 9.34  ?  89  ASP   A HB3  1 
ATOM   1465 N  N    . ILE   A 1 90  ? 48.475 18.280  -8.182  1.00 8.74  ?  90  ILE   A N    1 
ATOM   1466 C  CA   . ILE   A 1 90  ? 47.307 18.125  -7.354  1.00 8.69  ?  90  ILE   A CA   1 
ATOM   1467 C  C    . ILE   A 1 90  ? 46.209 17.498  -8.209  1.00 9.06  ?  90  ILE   A C    1 
ATOM   1468 O  O    . ILE   A 1 90  ? 46.077 17.786  -9.413  1.00 9.87  ?  90  ILE   A O    1 
ATOM   1469 C  CB   . ILE   A 1 90  ? 46.902 19.481  -6.718  1.00 9.45  ?  90  ILE   A CB   1 
ATOM   1470 C  CG1  . ILE   A 1 90  ? 45.794 19.288  -5.676  1.00 10.15 ?  90  ILE   A CG1  1 
ATOM   1471 C  CG2  . ILE   A 1 90  ? 46.531 20.511  -7.783  1.00 10.73 ?  90  ILE   A CG2  1 
ATOM   1472 C  CD1  . ILE   A 1 90  ? 45.497 20.548  -4.889  1.00 11.11 ?  90  ILE   A CD1  1 
ATOM   1473 H  H    . ILE   A 1 90  ? 48.294 18.441  -9.008  1.00 9.00  ?  90  ILE   A H    1 
ATOM   1474 H  HA   . ILE   A 1 90  ? 47.507 17.503  -6.624  1.00 8.55  ?  90  ILE   A HA   1 
ATOM   1475 H  HB   . ILE   A 1 90  ? 47.679 19.822  -6.249  1.00 9.62  ?  90  ILE   A HB   1 
ATOM   1476 H  HG12 . ILE   A 1 90  ? 44.977 19.023  -6.127  1.00 10.30 ?  90  ILE   A HG12 1 
ATOM   1477 H  HG13 . ILE   A 1 90  ? 46.065 18.599  -5.051  1.00 9.97  ?  90  ILE   A HG13 1 
ATOM   1478 H  HG21 . ILE   A 1 90  ? 47.201 20.511  -8.471  1.00 10.51 ?  90  ILE   A HG21 1 
ATOM   1479 H  HG22 . ILE   A 1 90  ? 46.486 21.380  -7.377  1.00 10.70 ?  90  ILE   A HG22 1 
ATOM   1480 H  HG23 . ILE   A 1 90  ? 45.676 20.283  -8.157  1.00 10.62 ?  90  ILE   A HG23 1 
ATOM   1481 H  HD11 . ILE   A 1 90  ? 46.319 20.891  -4.530  1.00 11.10 ?  90  ILE   A HD11 1 
ATOM   1482 H  HD12 . ILE   A 1 90  ? 44.893 20.337  -4.174  1.00 10.78 ?  90  ILE   A HD12 1 
ATOM   1483 H  HD13 . ILE   A 1 90  ? 45.096 21.198  -5.471  1.00 10.86 ?  90  ILE   A HD13 1 
ATOM   1484 N  N    . MET   A 1 91  ? 45.432 16.606  -7.591  1.00 8.47  ?  91  MET   A N    1 
ATOM   1485 C  CA   . MET   A 1 91  ? 44.377 15.857  -8.260  1.00 8.46  ?  91  MET   A CA   1 
ATOM   1486 C  C    . MET   A 1 91  ? 43.305 15.515  -7.260  1.00 8.94  ?  91  MET   A C    1 
ATOM   1487 O  O    . MET   A 1 91  ? 43.594 15.195  -6.111  1.00 8.85  ?  91  MET   A O    1 
ATOM   1488 C  CB   . MET   A 1 91  ? 44.939 14.567  -8.873  1.00 9.29  ?  91  MET   A CB   1 
ATOM   1489 C  CG   . MET   A 1 91  ? 43.914 13.621  -9.477  1.00 9.30  ?  91  MET   A CG   1 
ATOM   1490 S  SD   . MET   A 1 91  ? 44.602 12.305  -10.482 1.00 10.53 ?  91  MET   A SD   1 
ATOM   1491 C  CE   . MET   A 1 91  ? 45.481 11.366  -9.240  1.00 11.09 ?  91  MET   A CE   1 
ATOM   1492 H  H    . MET   A 1 91  ? 45.506 16.414  -6.756  1.00 8.67  ?  91  MET   A H    1 
ATOM   1493 H  HA   . MET   A 1 91  ? 43.998 16.402  -8.979  1.00 8.32  ?  91  MET   A HA   1 
ATOM   1494 H  HB2  . MET   A 1 91  ? 45.548 14.816  -9.583  1.00 9.05  ?  91  MET   A HB2  1 
ATOM   1495 H  HB3  . MET   A 1 91  ? 45.419 14.081  -8.185  1.00 9.31  ?  91  MET   A HB3  1 
ATOM   1496 H  HG2  . MET   A 1 91  ? 43.416 13.199  -8.759  1.00 9.33  ?  91  MET   A HG2  1 
ATOM   1497 H  HG3  . MET   A 1 91  ? 43.310 14.130  -10.037 1.00 9.28  ?  91  MET   A HG3  1 
ATOM   1498 H  HE1  . MET   A 1 91  ? 46.208 11.896  -8.911  1.00 10.84 ?  91  MET   A HE1  1 
ATOM   1499 H  HE2  . MET   A 1 91  ? 45.816 10.557  -9.632  1.00 10.84 ?  91  MET   A HE2  1 
ATOM   1500 H  HE3  . MET   A 1 91  ? 44.881 11.158  -8.520  1.00 10.99 ?  91  MET   A HE3  1 
ATOM   1501 N  N    . LEU   A 1 92  ? 42.059 15.586  -7.721  1.00 8.87  ?  92  LEU   A N    1 
ATOM   1502 C  CA   . LEU   A 1 92  ? 40.904 15.098  -7.003  1.00 8.71  ?  92  LEU   A CA   1 
ATOM   1503 C  C    . LEU   A 1 92  ? 40.399 13.811  -7.612  1.00 8.51  ?  92  LEU   A C    1 
ATOM   1504 O  O    . LEU   A 1 92  ? 40.263 13.704  -8.827  1.00 9.85  ?  92  LEU   A O    1 
ATOM   1505 C  CB   . LEU   A 1 92  ? 39.802 16.155  -7.005  1.00 9.72  ?  92  LEU   A CB   1 
ATOM   1506 C  CG   . LEU   A 1 92  ? 40.011 17.270  -5.989  1.00 11.09 ?  92  LEU   A CG   1 
ATOM   1507 C  CD1  . LEU   A 1 92  ? 39.191 18.526  -6.309  1.00 13.24 ?  92  LEU   A CD1  1 
ATOM   1508 C  CD2  . LEU   A 1 92  ? 39.709 16.758  -4.585  1.00 11.08 ?  92  LEU   A CD2  1 
ATOM   1509 H  H    . LEU   A 1 92  ? 41.857 15.925  -8.485  1.00 8.67  ?  92  LEU   A H    1 
ATOM   1510 H  HA   . LEU   A 1 92  ? 41.151 14.920  -6.074  1.00 8.98  ?  92  LEU   A HA   1 
ATOM   1511 H  HB2  . LEU   A 1 92  ? 39.757 16.562  -7.884  1.00 9.63  ?  92  LEU   A HB2  1 
ATOM   1512 H  HB3  . LEU   A 1 92  ? 38.955 15.726  -6.803  1.00 9.87  ?  92  LEU   A HB3  1 
ATOM   1513 H  HG   . LEU   A 1 92  ? 40.946 17.526  -6.007  1.00 11.20 ?  92  LEU   A HG   1 
ATOM   1514 H  HD11 . LEU   A 1 92  ? 39.464 18.867  -7.163  1.00 12.59 ?  92  LEU   A HD11 1 
ATOM   1515 H  HD12 . LEU   A 1 92  ? 39.348 19.183  -5.627  1.00 13.16 ?  92  LEU   A HD12 1 
ATOM   1516 H  HD13 . LEU   A 1 92  ? 38.260 18.293  -6.331  1.00 12.77 ?  92  LEU   A HD13 1 
ATOM   1517 H  HD21 . LEU   A 1 92  ? 38.814 16.411  -4.563  1.00 10.97 ?  92  LEU   A HD21 1 
ATOM   1518 H  HD22 . LEU   A 1 92  ? 39.790 17.488  -3.966  1.00 10.83 ?  92  LEU   A HD22 1 
ATOM   1519 H  HD23 . LEU   A 1 92  ? 40.335 16.068  -4.355  1.00 11.04 ?  92  LEU   A HD23 1 
ATOM   1520 N  N    . LEU   A 1 93  ? 40.108 12.832  -6.762  1.00 8.72  ?  93  LEU   A N    1 
ATOM   1521 C  CA   . LEU   A 1 93  ? 39.509 11.579  -7.180  1.00 8.91  ?  93  LEU   A CA   1 
ATOM   1522 C  C    . LEU   A 1 93  ? 38.085 11.554  -6.706  1.00 8.63  ?  93  LEU   A C    1 
ATOM   1523 O  O    . LEU   A 1 93  ? 37.826 11.654  -5.494  1.00 9.06  ?  93  LEU   A O    1 
ATOM   1524 C  CB   . LEU   A 1 93  ? 40.246 10.376  -6.575  1.00 8.74  ?  93  LEU   A CB   1 
ATOM   1525 C  CG   . LEU   A 1 93  ? 41.748 10.327  -6.836  1.00 9.43  ?  93  LEU   A CG   1 
ATOM   1526 C  CD1  . LEU   A 1 93  ? 42.354 9.126   -6.133  1.00 10.18 ?  93  LEU   A CD1  1 
ATOM   1527 C  CD2  . LEU   A 1 93  ? 42.048 10.283  -8.331  1.00 10.22 ?  93  LEU   A CD2  1 
ATOM   1528 H  H    . LEU   A 1 93  ? 40.252 12.872  -5.915  1.00 8.65  ?  93  LEU   A H    1 
ATOM   1529 H  HA   . LEU   A 1 93  ? 39.523 11.492  -8.156  1.00 8.88  ?  93  LEU   A HA   1 
ATOM   1530 H  HB2  . LEU   A 1 93  ? 40.123 10.386  -5.614  1.00 8.79  ?  93  LEU   A HB2  1 
ATOM   1531 H  HB3  . LEU   A 1 93  ? 39.862 9.565   -6.942  1.00 8.78  ?  93  LEU   A HB3  1 
ATOM   1532 H  HG   . LEU   A 1 93  ? 42.161 11.125  -6.471  1.00 9.28  ?  93  LEU   A HG   1 
ATOM   1533 H  HD11 . LEU   A 1 93  ? 42.180 9.195   -5.192  1.00 10.00 ?  93  LEU   A HD11 1 
ATOM   1534 H  HD12 . LEU   A 1 93  ? 43.301 9.116   -6.291  1.00 10.02 ?  93  LEU   A HD12 1 
ATOM   1535 H  HD13 . LEU   A 1 93  ? 41.955 8.326   -6.483  1.00 10.04 ?  93  LEU   A HD13 1 
ATOM   1536 H  HD21 . LEU   A 1 93  ? 41.479 9.623   -8.737  1.00 9.94  ?  93  LEU   A HD21 1 
ATOM   1537 H  HD22 . LEU   A 1 93  ? 42.968 10.043  -8.460  1.00 9.98  ?  93  LEU   A HD22 1 
ATOM   1538 H  HD23 . LEU   A 1 93  ? 41.875 11.147  -8.714  1.00 10.02 ?  93  LEU   A HD23 1 
ATOM   1539 N  N    . LYS   A 1 94  ? 37.145 11.415  -7.638  1.00 8.65  ?  94  LYS   A N    1 
ATOM   1540 C  CA   . LYS   A 1 94  ? 35.753 11.230  -7.278  1.00 9.18  ?  94  LYS   A CA   1 
ATOM   1541 C  C    . LYS   A 1 94  ? 35.500 9.745   -7.108  1.00 8.50  ?  94  LYS   A C    1 
ATOM   1542 O  O    . LYS   A 1 94  ? 35.791 8.939   -7.996  1.00 9.05  ?  94  LYS   A O    1 
ATOM   1543 C  CB   . LYS   A 1 94  ? 34.815 11.827  -8.325  1.00 10.98 ?  94  LYS   A CB   1 
ATOM   1544 C  CG   . LYS   A 1 94  ? 33.373 11.822  -7.855  1.00 11.66 ?  94  LYS   A CG   1 
ATOM   1545 C  CD   . LYS   A 1 94  ? 32.473 12.512  -8.855  1.00 13.43 ?  94  LYS   A CD   1 
ATOM   1546 C  CE   . LYS   A 1 94  ? 31.046 12.454  -8.370  1.00 14.89 ?  94  LYS   A CE   1 
ATOM   1547 N  NZ   . LYS   A 1 94  ? 30.108 13.151  -9.269  1.00 18.14 ?  94  LYS   A NZ   1 
ATOM   1548 H  H    . LYS   A 1 94  ? 37.290 11.423  -8.486  1.00 8.80  ?  94  LYS   A H    1 
ATOM   1549 H  HA   . LYS   A 1 94  ? 35.569 11.685  -6.431  1.00 9.25  ?  94  LYS   A HA   1 
ATOM   1550 H  HB2  . LYS   A 1 94  ? 35.073 12.747  -8.489  1.00 10.91 ?  94  LYS   A HB2  1 
ATOM   1551 H  HB3  . LYS   A 1 94  ? 34.873 11.309  -9.143  1.00 10.64 ?  94  LYS   A HB3  1 
ATOM   1552 H  HG2  . LYS   A 1 94  ? 33.064 10.908  -7.755  1.00 11.65 ?  94  LYS   A HG2  1 
ATOM   1553 H  HG3  . LYS   A 1 94  ? 33.308 12.295  -7.010  1.00 11.83 ?  94  LYS   A HG3  1 
ATOM   1554 H  HD2  . LYS   A 1 94  ? 32.734 13.442  -8.942  1.00 13.32 ?  94  LYS   A HD2  1 
ATOM   1555 H  HD3  . LYS   A 1 94  ? 32.529 12.059  -9.711  1.00 13.23 ?  94  LYS   A HD3  1 
ATOM   1556 H  HE2  . LYS   A 1 94  ? 30.771 11.526  -8.310  1.00 14.95 ?  94  LYS   A HE2  1 
ATOM   1557 H  HE3  . LYS   A 1 94  ? 30.992 12.873  -7.497  1.00 15.03 ?  94  LYS   A HE3  1 
ATOM   1558 H  HZ1  . LYS   A 1 94  ? 30.384 14.062  -9.389  1.00 17.83 ?  94  LYS   A HZ1  1 
ATOM   1559 H  HZ2  . LYS   A 1 94  ? 29.224 13.139  -8.895  1.00 17.88 ?  94  LYS   A HZ2  1 
ATOM   1560 H  HZ3  . LYS   A 1 94  ? 30.090 12.717  -10.126 1.00 17.62 ?  94  LYS   A HZ3  1 
ATOM   1561 N  N    . LEU   A 1 95  ? 34.963 9.382   -5.948  1.00 8.91  ?  95  LEU   A N    1 
ATOM   1562 C  CA   . LEU   A 1 95  ? 34.620 7.996   -5.657  1.00 9.64  ?  95  LEU   A CA   1 
ATOM   1563 C  C    . LEU   A 1 95  ? 33.246 7.683   -6.213  1.00 9.93  ?  95  LEU   A C    1 
ATOM   1564 O  O    . LEU   A 1 95  ? 32.362 8.541   -6.253  1.00 10.49 ?  95  LEU   A O    1 
ATOM   1565 C  CB   . LEU   A 1 95  ? 34.657 7.727   -4.162  1.00 9.35  ?  95  LEU   A CB   1 
ATOM   1566 C  CG   . LEU   A 1 95  ? 35.942 8.160   -3.447  1.00 9.74  ?  95  LEU   A CG   1 
ATOM   1567 C  CD1  . LEU   A 1 95  ? 35.879 7.804   -1.980  1.00 10.47 ?  95  LEU   A CD1  1 
ATOM   1568 C  CD2  . LEU   A 1 95  ? 37.171 7.564   -4.120  1.00 10.50 ?  95  LEU   A CD2  1 
ATOM   1569 H  H    . LEU   A 1 95  ? 34.777 9.928   -5.310  1.00 8.99  ?  95  LEU   A H    1 
ATOM   1570 H  HA   . LEU   A 1 95  ? 35.269 7.402   -6.087  1.00 9.36  ?  95  LEU   A HA   1 
ATOM   1571 H  HB2  . LEU   A 1 95  ? 33.920 8.200   -3.746  1.00 9.48  ?  95  LEU   A HB2  1 
ATOM   1572 H  HB3  . LEU   A 1 95  ? 34.551 6.773   -4.019  1.00 9.48  ?  95  LEU   A HB3  1 
ATOM   1573 H  HG   . LEU   A 1 95  ? 36.019 9.125   -3.504  1.00 9.82  ?  95  LEU   A HG   1 
ATOM   1574 H  HD11 . LEU   A 1 95  ? 35.132 8.256   -1.581  1.00 10.30 ?  95  LEU   A HD11 1 
ATOM   1575 H  HD12 . LEU   A 1 95  ? 36.695 8.082   -1.556  1.00 10.20 ?  95  LEU   A HD12 1 
ATOM   1576 H  HD13 . LEU   A 1 95  ? 35.772 6.854   -1.894  1.00 10.30 ?  95  LEU   A HD13 1 
ATOM   1577 H  HD21 . LEU   A 1 95  ? 37.034 6.620   -4.241  1.00 10.38 ?  95  LEU   A HD21 1 
ATOM   1578 H  HD22 . LEU   A 1 95  ? 37.937 7.713   -3.559  1.00 10.27 ?  95  LEU   A HD22 1 
ATOM   1579 H  HD23 . LEU   A 1 95  ? 37.304 7.988   -4.972  1.00 10.51 ?  95  LEU   A HD23 1 
ATOM   1580 N  N    . LYS   A 1 96  ? 33.083 6.459   -6.664  1.00 9.98  ?  96  LYS   A N    1 
ATOM   1581 C  CA   . LYS   A 1 96  ? 31.829 6.004   -7.221  1.00 11.25 ?  96  LYS   A CA   1 
ATOM   1582 C  C    . LYS   A 1 96  ? 30.680 6.133   -6.226  1.00 12.28 ?  96  LYS   A C    1 
ATOM   1583 O  O    . LYS   A 1 96  ? 29.564 6.497   -6.623  1.00 13.33 ?  96  LYS   A O    1 
ATOM   1584 C  CB   . LYS   A 1 96  ? 31.977 4.563   -7.678  1.00 12.00 ?  96  LYS   A CB   1 
ATOM   1585 C  CG   . LYS   A 1 96  ? 30.768 4.045   -8.448  1.00 12.55 ?  96  LYS   A CG   1 
ATOM   1586 C  CD   . LYS   A 1 96  ? 30.715 4.611   -9.870  1.00 14.00 ?  96  LYS   A CD   1 
ATOM   1587 C  CE   . LYS   A 1 96  ? 29.566 4.039   -10.669 1.00 13.80 ?  96  LYS   A CE   1 
ATOM   1588 N  NZ   . LYS   A 1 96  ? 29.734 2.590   -10.861 1.00 12.45 ?  96  LYS   A NZ   1 
ATOM   1589 H  H    . LYS   A 1 96  ? 33.699 5.859   -6.653  1.00 9.94  ?  96  LYS   A H    1 
ATOM   1590 H  HA   . LYS   A 1 96  ? 31.614 6.555   -8.002  1.00 11.80 ?  96  LYS   A HA   1 
ATOM   1591 H  HB2  . LYS   A 1 96  ? 32.749 4.495   -8.262  1.00 12.29 ?  96  LYS   A HB2  1 
ATOM   1592 H  HB3  . LYS   A 1 96  ? 32.099 3.997   -6.900  1.00 12.23 ?  96  LYS   A HB3  1 
ATOM   1593 H  HG2  . LYS   A 1 96  ? 30.840 3.081   -8.502  1.00 12.43 ?  96  LYS   A HG2  1 
ATOM   1594 H  HG3  . LYS   A 1 96  ? 29.948 4.289   -7.992  1.00 12.55 ?  96  LYS   A HG3  1 
ATOM   1595 H  HD2  . LYS   A 1 96  ? 30.596 5.572   -9.823  1.00 13.63 ?  96  LYS   A HD2  1 
ATOM   1596 H  HD3  . LYS   A 1 96  ? 31.541 4.401   -10.330 1.00 13.50 ?  96  LYS   A HD3  1 
ATOM   1597 H  HE2  . LYS   A 1 96  ? 28.735 4.192   -10.194 1.00 13.59 ?  96  LYS   A HE2  1 
ATOM   1598 H  HE3  . LYS   A 1 96  ? 29.539 4.462   -11.542 1.00 13.77 ?  96  LYS   A HE3  1 
ATOM   1599 H  HZ1  . LYS   A 1 96  ? 30.518 2.454   -11.370 1.00 12.48 ?  96  LYS   A HZ1  1 
ATOM   1600 H  HZ2  . LYS   A 1 96  ? 28.986 2.242   -11.352 1.00 12.35 ?  96  LYS   A HZ2  1 
ATOM   1601 H  HZ3  . LYS   A 1 96  ? 29.791 2.125   -10.023 1.00 12.94 ?  96  LYS   A HZ3  1 
ATOM   1602 N  N    . GLU   A 1 97  ? 30.946 5.756   -4.981  1.00 12.29 ?  97  GLU   A N    1 
ATOM   1603 C  CA   A GLU   A 1 97  ? 29.950 5.991   -3.956  0.50 12.82 ?  97  GLU   A CA   1 
ATOM   1604 C  CA   B GLU   A 1 97  ? 30.040 5.735   -3.821  0.50 12.61 ?  97  GLU   A CA   1 
ATOM   1605 C  C    . GLU   A 1 97  ? 30.571 6.726   -2.781  1.00 12.33 ?  97  GLU   A C    1 
ATOM   1606 O  O    . GLU   A 1 97  ? 31.761 6.927   -2.703  1.00 12.90 ?  97  GLU   A O    1 
ATOM   1607 C  CB   A GLU   A 1 97  ? 29.265 4.689   -3.548  0.50 14.29 ?  97  GLU   A CB   1 
ATOM   1608 C  CB   B GLU   A 1 97  ? 30.067 4.344   -3.138  0.50 14.20 ?  97  GLU   A CB   1 
ATOM   1609 C  CG   A GLU   A 1 97  ? 28.630 3.913   -4.707  0.50 16.58 ?  97  GLU   A CG   1 
ATOM   1610 C  CG   B GLU   A 1 97  ? 29.663 3.143   -3.991  0.50 15.36 ?  97  GLU   A CG   1 
ATOM   1611 C  CD   A GLU   A 1 97  ? 27.505 4.663   -5.399  0.50 18.73 ?  97  GLU   A CD   1 
ATOM   1612 C  CD   B GLU   A 1 97  ? 29.615 1.842   -3.188  0.50 17.65 ?  97  GLU   A CD   1 
ATOM   1613 O  OE1  A GLU   A 1 97  ? 27.329 4.457   -6.623  0.50 19.71 ?  97  GLU   A OE1  1 
ATOM   1614 O  OE1  B GLU   A 1 97  ? 29.963 1.855   -1.989  0.50 18.43 ?  97  GLU   A OE1  1 
ATOM   1615 O  OE2  A GLU   A 1 97  ? 26.804 5.455   -4.734  0.50 22.20 ?  97  GLU   A OE2  1 
ATOM   1616 O  OE2  B GLU   A 1 97  ? 29.229 0.789   -3.749  0.50 20.78 ?  97  GLU   A OE2  1 
ATOM   1617 H  H    . GLU   A 1 97  ? 31.702 5.425   -4.740  1.00 12.55 ?  97  GLU   A H    1 
ATOM   1618 H  HA   A GLU   A 1 97  ? 29.250 6.579   -4.306  0.50 13.57 ?  97  GLU   A HA   1 
ATOM   1619 H  HA   B GLU   A 1 97  ? 29.124 5.970   -4.075  0.50 13.10 ?  97  GLU   A HA   1 
ATOM   1620 H  HB2  A GLU   A 1 97  ? 29.922 4.110   -3.132  0.50 14.30 ?  97  GLU   A HB2  1 
ATOM   1621 H  HB2  B GLU   A 1 97  ? 30.970 4.177   -2.823  0.50 14.24 ?  97  GLU   A HB2  1 
ATOM   1622 H  HB3  A GLU   A 1 97  ? 28.562 4.895   -2.912  0.50 14.30 ?  97  GLU   A HB3  1 
ATOM   1623 H  HB3  B GLU   A 1 97  ? 29.464 4.369   -2.379  0.50 13.64 ?  97  GLU   A HB3  1 
ATOM   1624 H  HG2  A GLU   A 1 97  ? 29.310 3.715   -5.370  0.50 16.04 ?  97  GLU   A HG2  1 
ATOM   1625 H  HG2  B GLU   A 1 97  ? 28.781 3.301   -4.362  0.50 15.39 ?  97  GLU   A HG2  1 
ATOM   1626 H  HG3  A GLU   A 1 97  ? 28.261 3.086   -4.360  0.50 16.29 ?  97  GLU   A HG3  1 
ATOM   1627 H  HG3  B GLU   A 1 97  ? 30.309 3.031   -4.706  0.50 15.17 ?  97  GLU   A HG3  1 
ATOM   1628 N  N    . LYS   A 1 98  ? 29.728 7.244   -1.912  1.00 11.58 ?  98  LYS   A N    1 
ATOM   1629 C  CA   . LYS   A 1 98  ? 30.201 7.954   -0.738  1.00 11.01 ?  98  LYS   A CA   1 
ATOM   1630 C  C    . LYS   A 1 98  ? 30.680 6.924   0.259   1.00 11.01 ?  98  LYS   A C    1 
ATOM   1631 O  O    . LYS   A 1 98  ? 30.019 5.912   0.498   1.00 13.49 ?  98  LYS   A O    1 
ATOM   1632 C  CB   . LYS   A 1 98  ? 29.095 8.887   -0.172  1.00 12.81 ?  98  LYS   A CB   1 
ATOM   1633 C  CG   . LYS   A 1 98  ? 28.947 10.167  -1.003  1.00 15.69 ?  98  LYS   A CG   1 
ATOM   1634 C  CD   . LYS   A 1 98  ? 27.930 11.187  -0.524  1.00 16.68 ?  98  LYS   A CD   1 
ATOM   1635 C  CE   . LYS   A 1 98  ? 27.934 12.464  -1.359  1.00 18.36 ?  98  LYS   A CE   1 
ATOM   1636 N  NZ   . LYS   A 1 98  ? 26.992 13.507  -0.823  1.00 18.12 ?  98  LYS   A NZ   1 
ATOM   1637 H  H    . LYS   A 1 98  ? 28.872 7.196   -1.980  1.00 11.71 ?  98  LYS   A H    1 
ATOM   1638 H  HA   . LYS   A 1 98  ? 30.960 8.523   -0.986  1.00 11.43 ?  98  LYS   A HA   1 
ATOM   1639 H  HB2  . LYS   A 1 98  ? 28.244 8.421   -0.178  1.00 12.79 ?  98  LYS   A HB2  1 
ATOM   1640 H  HB3  . LYS   A 1 98  ? 29.327 9.141   0.735   1.00 12.40 ?  98  LYS   A HB3  1 
ATOM   1641 H  HG2  . LYS   A 1 98  ? 29.807 10.614  -1.018  1.00 14.94 ?  98  LYS   A HG2  1 
ATOM   1642 H  HG3  . LYS   A 1 98  ? 28.699 9.916   -1.906  1.00 15.26 ?  98  LYS   A HG3  1 
ATOM   1643 H  HD2  . LYS   A 1 98  ? 27.045 10.799  -0.590  1.00 16.56 ?  98  LYS   A HD2  1 
ATOM   1644 H  HD3  . LYS   A 1 98  ? 28.127 11.427  0.395   1.00 16.49 ?  98  LYS   A HD3  1 
ATOM   1645 H  HE2  . LYS   A 1 98  ? 28.825 12.834  -1.384  1.00 18.61 ?  98  LYS   A HE2  1 
ATOM   1646 H  HE3  . LYS   A 1 98  ? 27.647 12.246  -2.260  1.00 17.82 ?  98  LYS   A HE3  1 
ATOM   1647 H  HZ1  . LYS   A 1 98  ? 26.088 13.196  -0.890  1.00 18.16 ?  98  LYS   A HZ1  1 
ATOM   1648 H  HZ2  . LYS   A 1 98  ? 27.080 14.319  -1.328  1.00 17.75 ?  98  LYS   A HZ2  1 
ATOM   1649 H  HZ3  . LYS   A 1 98  ? 27.193 13.689  0.098   1.00 18.00 ?  98  LYS   A HZ3  1 
ATOM   1650 N  N    . ALA   A 1 99  ? 31.829 7.191   0.860   1.00 10.02 ?  99  ALA   A N    1 
ATOM   1651 C  CA   . ALA   A 1 99  ? 32.361 6.357   1.913   1.00 10.67 ?  99  ALA   A CA   1 
ATOM   1652 C  C    . ALA   A 1 99  ? 31.420 6.306   3.105   1.00 9.96  ?  99  ALA   A C    1 
ATOM   1653 O  O    . ALA   A 1 99  ? 30.661 7.261   3.357   1.00 10.82 ?  99  ALA   A O    1 
ATOM   1654 C  CB   . ALA   A 1 99  ? 33.693 6.913   2.364   1.00 11.60 ?  99  ALA   A CB   1 
ATOM   1655 H  H    . ALA   A 1 99  ? 32.325 7.866   0.668   1.00 10.52 ?  99  ALA   A H    1 
ATOM   1656 H  HA   . ALA   A 1 99  ? 32.498 5.447   1.576   1.00 10.49 ?  99  ALA   A HA   1 
ATOM   1657 H  HB1  . ALA   A 1 99  ? 34.293 6.933   1.615   1.00 11.26 ?  99  ALA   A HB1  1 
ATOM   1658 H  HB2  . ALA   A 1 99  ? 34.049 6.348   3.053   1.00 11.10 ?  99  ALA   A HB2  1 
ATOM   1659 H  HB3  . ALA   A 1 99  ? 33.562 7.802   2.703   1.00 11.44 ?  99  ALA   A HB3  1 
ATOM   1660 N  N    . SER   A 1 100 ? 31.462 5.210   3.834   1.00 10.12 ?  100 SER   A N    1 
ATOM   1661 C  CA   . SER   A 1 100 ? 30.767 5.144   5.111   1.00 10.01 ?  100 SER   A CA   1 
ATOM   1662 C  C    . SER   A 1 100 ? 31.588 5.855   6.158   1.00 9.90  ?  100 SER   A C    1 
ATOM   1663 O  O    . SER   A 1 100 ? 32.808 5.758   6.183   1.00 10.91 ?  100 SER   A O    1 
ATOM   1664 C  CB   . SER   A 1 100 ? 30.539 3.704   5.519   1.00 11.06 ?  100 SER   A CB   1 
ATOM   1665 O  OG   . SER   A 1 100 ? 29.618 3.102   4.645   1.00 11.45 ?  100 SER   A OG   1 
ATOM   1666 H  H    . SER   A 1 100 ? 31.885 4.493   3.616   1.00 9.97  ?  100 SER   A H    1 
ATOM   1667 H  HA   . SER   A 1 100 ? 29.892 5.579   5.038   1.00 9.99  ?  100 SER   A HA   1 
ATOM   1668 H  HB2  . SER   A 1 100 ? 31.380 3.221   5.482   1.00 10.99 ?  100 SER   A HB2  1 
ATOM   1669 H  HB3  . SER   A 1 100 ? 30.181 3.681   6.420   1.00 10.76 ?  100 SER   A HB3  1 
ATOM   1670 H  HG   . SER   A 1 100 ? 29.492 2.323   4.866   0.00 11.27 ?  100 SER   A HG   1 
ATOM   1671 N  N    . LEU   A 1 101 ? 30.922 6.625   6.998   1.00 10.26 ?  101 LEU   A N    1 
ATOM   1672 C  CA   . LEU   A 1 101 ? 31.562 7.232   8.146   1.00 9.29  ?  101 LEU   A CA   1 
ATOM   1673 C  C    . LEU   A 1 101 ? 31.622 6.228   9.279   1.00 9.52  ?  101 LEU   A C    1 
ATOM   1674 O  O    . LEU   A 1 101 ? 30.581 5.682   9.696   1.00 11.14 ?  101 LEU   A O    1 
ATOM   1675 C  CB   . LEU   A 1 101 ? 30.791 8.458   8.607   1.00 10.29 ?  101 LEU   A CB   1 
ATOM   1676 C  CG   . LEU   A 1 101 ? 30.652 9.546   7.556   1.00 11.12 ?  101 LEU   A CG   1 
ATOM   1677 C  CD1  . LEU   A 1 101 ? 29.908 10.743  8.105   1.00 11.35 ?  101 LEU   A CD1  1 
ATOM   1678 C  CD2  . LEU   A 1 101 ? 32.011 10.012  7.052   1.00 11.62 ?  101 LEU   A CD2  1 
ATOM   1679 H  H    . LEU   A 1 101 ? 30.085 6.810   6.926   1.00 9.93  ?  101 LEU   A H    1 
ATOM   1680 H  HA   . LEU   A 1 101 ? 32.474 7.506   7.920   1.00 9.71  ?  101 LEU   A HA   1 
ATOM   1681 H  HB2  . LEU   A 1 101 ? 29.896 8.183   8.862   1.00 10.31 ?  101 LEU   A HB2  1 
ATOM   1682 H  HB3  . LEU   A 1 101 ? 31.246 8.843   9.372   1.00 10.44 ?  101 LEU   A HB3  1 
ATOM   1683 H  HG   . LEU   A 1 101 ? 30.151 9.201   6.801   1.00 10.91 ?  101 LEU   A HG   1 
ATOM   1684 H  HD11 . LEU   A 1 101 ? 29.045 10.459  8.414   1.00 11.25 ?  101 LEU   A HD11 1 
ATOM   1685 H  HD12 . LEU   A 1 101 ? 29.807 11.397  7.409   1.00 11.42 ?  101 LEU   A HD12 1 
ATOM   1686 H  HD13 . LEU   A 1 101 ? 30.410 11.115  8.834   1.00 11.48 ?  101 LEU   A HD13 1 
ATOM   1687 H  HD21 . LEU   A 1 101 ? 32.569 10.218  7.807   1.00 11.56 ?  101 LEU   A HD21 1 
ATOM   1688 H  HD22 . LEU   A 1 101 ? 31.892 10.795  6.509   1.00 11.23 ?  101 LEU   A HD22 1 
ATOM   1689 H  HD23 . LEU   A 1 101 ? 32.412 9.315   6.527   1.00 11.31 ?  101 LEU   A HD23 1 
ATOM   1690 N  N    . THR   A 1 102 ? 32.820 5.977   9.775   1.00 8.76  ?  102 THR   A N    1 
ATOM   1691 C  CA   . THR   A 1 102 ? 33.066 5.075   10.887  1.00 9.44  ?  102 THR   A CA   1 
ATOM   1692 C  C    . THR   A 1 102 ? 34.115 5.697   11.798  1.00 9.85  ?  102 THR   A C    1 
ATOM   1693 O  O    . THR   A 1 102 ? 34.638 6.737   11.480  1.00 10.34 ?  102 THR   A O    1 
ATOM   1694 C  CB   . THR   A 1 102 ? 33.578 3.710   10.427  1.00 9.88  ?  102 THR   A CB   1 
ATOM   1695 O  OG1  . THR   A 1 102 ? 34.864 3.913   9.837   1.00 9.66  ?  102 THR   A OG1  1 
ATOM   1696 C  CG2  . THR   A 1 102 ? 32.638 3.093   9.427   1.00 10.62 ?  102 THR   A CG2  1 
ATOM   1697 H  H    . THR   A 1 102 ? 33.542 6.330   9.467   1.00 9.17  ?  102 THR   A H    1 
ATOM   1698 H  HA   . THR   A 1 102 ? 32.247 4.942   11.408  1.00 9.36  ?  102 THR   A HA   1 
ATOM   1699 H  HB   . THR   A 1 102 ? 33.656 3.115   11.189  1.00 10.12 ?  102 THR   A HB   1 
ATOM   1700 H  HG1  . THR   A 1 102 ? 35.170 3.190   9.567   0.00 9.80  ?  102 THR   A HG1  1 
ATOM   1701 H  HG21 . THR   A 1 102 ? 31.749 3.073   9.786   1.00 10.41 ?  102 THR   A HG21 1 
ATOM   1702 H  HG22 . THR   A 1 102 ? 32.915 2.195   9.231   1.00 10.33 ?  102 THR   A HG22 1 
ATOM   1703 H  HG23 . THR   A 1 102 ? 32.637 3.601   8.612   1.00 10.75 ?  102 THR   A HG23 1 
ATOM   1704 N  N    . LEU   A 1 103 ? 34.456 5.066   12.913  1.00 10.47 ?  103 LEU   A N    1 
ATOM   1705 C  CA   . LEU   A 1 103 ? 35.531 5.613   13.727  1.00 10.98 ?  103 LEU   A CA   1 
ATOM   1706 C  C    . LEU   A 1 103 ? 36.811 5.697   12.877  1.00 11.26 ?  103 LEU   A C    1 
ATOM   1707 O  O    . LEU   A 1 103 ? 37.599 6.645   12.991  1.00 12.15 ?  103 LEU   A O    1 
ATOM   1708 C  CB   . LEU   A 1 103 ? 35.746 4.753   14.960  1.00 12.45 ?  103 LEU   A CB   1 
ATOM   1709 C  CG   . LEU   A 1 103 ? 36.859 5.237   15.891  1.00 13.97 ?  103 LEU   A CG   1 
ATOM   1710 C  CD1  . LEU   A 1 103 ? 36.622 6.666   16.397  1.00 15.56 ?  103 LEU   A CD1  1 
ATOM   1711 C  CD2  . LEU   A 1 103 ? 37.004 4.274   17.069  1.00 16.42 ?  103 LEU   A CD2  1 
ATOM   1712 H  H    . LEU   A 1 103 ? 34.093 4.344   13.210  1.00 10.14 ?  103 LEU   A H    1 
ATOM   1713 H  HA   . LEU   A 1 103 ? 35.287 6.517   14.014  1.00 11.09 ?  103 LEU   A HA   1 
ATOM   1714 H  HB2  . LEU   A 1 103 ? 34.923 4.734   15.472  1.00 12.07 ?  103 LEU   A HB2  1 
ATOM   1715 H  HB3  . LEU   A 1 103 ? 35.974 3.854   14.674  1.00 12.37 ?  103 LEU   A HB3  1 
ATOM   1716 H  HG   . LEU   A 1 103 ? 37.701 5.231   15.411  1.00 14.06 ?  103 LEU   A HG   1 
ATOM   1717 H  HD11 . LEU   A 1 103 ? 36.734 7.282   15.669  1.00 15.04 ?  103 LEU   A HD11 1 
ATOM   1718 H  HD12 . LEU   A 1 103 ? 37.260 6.859   17.088  1.00 15.23 ?  103 LEU   A HD12 1 
ATOM   1719 H  HD13 . LEU   A 1 103 ? 35.730 6.729   16.748  1.00 15.07 ?  103 LEU   A HD13 1 
ATOM   1720 H  HD21 . LEU   A 1 103 ? 36.182 4.262   17.566  1.00 15.89 ?  103 LEU   A HD21 1 
ATOM   1721 H  HD22 . LEU   A 1 103 ? 37.722 4.575   17.631  1.00 15.86 ?  103 LEU   A HD22 1 
ATOM   1722 H  HD23 . LEU   A 1 103 ? 37.196 3.396   16.733  1.00 16.36 ?  103 LEU   A HD23 1 
ATOM   1723 N  N    . ALA   A 1 104 ? 37.016 4.695   12.027  1.00 9.99  ?  104 ALA   A N    1 
ATOM   1724 C  CA   . ALA   A 1 104 ? 38.248 4.583   11.242  1.00 9.79  ?  104 ALA   A CA   1 
ATOM   1725 C  C    . ALA   A 1 104 ? 38.263 5.350   9.924   1.00 9.31  ?  104 ALA   A C    1 
ATOM   1726 O  O    . ALA   A 1 104 ? 39.310 5.446   9.307   1.00 9.27  ?  104 ALA   A O    1 
ATOM   1727 C  CB   . ALA   A 1 104 ? 38.577 3.120   10.989  1.00 10.38 ?  104 ALA   A CB   1 
ATOM   1728 H  H    . ALA   A 1 104 ? 36.460 4.055   11.884  1.00 9.81  ?  104 ALA   A H    1 
ATOM   1729 H  HA   . ALA   A 1 104 ? 38.986 4.938   11.779  1.00 9.83  ?  104 ALA   A HA   1 
ATOM   1730 H  HB1  . ALA   A 1 104 ? 38.653 2.668   11.832  1.00 10.18 ?  104 ALA   A HB1  1 
ATOM   1731 H  HB2  . ALA   A 1 104 ? 39.407 3.062   10.511  1.00 9.94  ?  104 ALA   A HB2  1 
ATOM   1732 H  HB3  . ALA   A 1 104 ? 37.871 2.728   10.469  1.00 10.41 ?  104 ALA   A HB3  1 
ATOM   1733 N  N    . VAL   A 1 105 ? 37.128 5.886   9.485   1.00 8.54  ?  105 VAL   A N    1 
ATOM   1734 C  CA   . VAL   A 1 105 ? 37.004 6.570   8.200   1.00 8.22  ?  105 VAL   A CA   1 
ATOM   1735 C  C    . VAL   A 1 105 ? 36.156 7.821   8.392   1.00 8.41  ?  105 VAL   A C    1 
ATOM   1736 O  O    . VAL   A 1 105 ? 34.991 7.748   8.784   1.00 9.53  ?  105 VAL   A O    1 
ATOM   1737 C  CB   . VAL   A 1 105 ? 36.377 5.682   7.105   1.00 8.47  ?  105 VAL   A CB   1 
ATOM   1738 C  CG1  . VAL   A 1 105 ? 36.176 6.472   5.821   1.00 9.39  ?  105 VAL   A CG1  1 
ATOM   1739 C  CG2  . VAL   A 1 105 ? 37.247 4.476   6.825   1.00 8.90  ?  105 VAL   A CG2  1 
ATOM   1740 H  H    . VAL   A 1 105 ? 36.389 5.864   9.925   1.00 8.35  ?  105 VAL   A H    1 
ATOM   1741 H  HA   . VAL   A 1 105 ? 37.888 6.840   7.885   1.00 8.50  ?  105 VAL   A HA   1 
ATOM   1742 H  HB   . VAL   A 1 105 ? 35.502 5.365   7.409   1.00 8.45  ?  105 VAL   A HB   1 
ATOM   1743 H  HG11 . VAL   A 1 105 ? 35.457 7.098   5.937   1.00 9.06  ?  105 VAL   A HG11 1 
ATOM   1744 H  HG12 . VAL   A 1 105 ? 35.959 5.863   5.110   1.00 9.10  ?  105 VAL   A HG12 1 
ATOM   1745 H  HG13 . VAL   A 1 105 ? 36.990 6.939   5.613   1.00 9.26  ?  105 VAL   A HG13 1 
ATOM   1746 H  HG21 . VAL   A 1 105 ? 38.127 4.774   6.586   1.00 8.63  ?  105 VAL   A HG21 1 
ATOM   1747 H  HG22 . VAL   A 1 105 ? 36.863 3.973   6.103   1.00 8.82  ?  105 VAL   A HG22 1 
ATOM   1748 H  HG23 . VAL   A 1 105 ? 37.289 3.929   7.613   1.00 8.83  ?  105 VAL   A HG23 1 
ATOM   1749 N  N    . GLY   A 1 106 ? 36.751 8.963   8.087   1.00 9.15  ?  106 GLY   A N    1 
ATOM   1750 C  CA   . GLY   A 1 106 ? 36.072 10.229  8.131   1.00 9.15  ?  106 GLY   A CA   1 
ATOM   1751 C  C    . GLY   A 1 106 ? 36.777 11.247  7.271   1.00 9.72  ?  106 GLY   A C    1 
ATOM   1752 O  O    . GLY   A 1 106 ? 37.897 10.996  6.827   1.00 9.95  ?  106 GLY   A O    1 
ATOM   1753 H  H    . GLY   A 1 106 ? 37.575 9.025   7.849   1.00 8.94  ?  106 GLY   A H    1 
ATOM   1754 H  HA2  . GLY   A 1 106 ? 35.163 10.133  7.808   1.00 9.27  ?  106 GLY   A HA2  1 
ATOM   1755 H  HA3  . GLY   A 1 106 ? 36.047 10.556  9.044   1.00 9.31  ?  106 GLY   A HA3  1 
ATOM   1756 N  N    . THR   A 1 107 ? 36.123 12.368  6.999   1.00 10.19 ?  107 THR   A N    1 
ATOM   1757 C  CA   . THR   A 1 107 ? 36.694 13.374  6.137   1.00 10.53 ?  107 THR   A CA   1 
ATOM   1758 C  C    . THR   A 1 107 ? 37.545 14.351  6.937   1.00 10.83 ?  107 THR   A C    1 
ATOM   1759 O  O    . THR   A 1 107 ? 37.394 14.501  8.162   1.00 12.34 ?  107 THR   A O    1 
ATOM   1760 C  CB   . THR   A 1 107 ? 35.609 14.166  5.379   1.00 11.89 ?  107 THR   A CB   1 
ATOM   1761 O  OG1  . THR   A 1 107 ? 34.864 14.942  6.325   1.00 14.84 ?  107 THR   A OG1  1 
ATOM   1762 C  CG2  . THR   A 1 107 ? 34.690 13.253  4.637   1.00 12.77 ?  107 THR   A CG2  1 
ATOM   1763 H  H    . THR   A 1 107 ? 35.346 12.566  7.311   1.00 10.07 ?  107 THR   A H    1 
ATOM   1764 H  HA   . THR   A 1 107 ? 37.264 12.945  5.468   1.00 10.41 ?  107 THR   A HA   1 
ATOM   1765 H  HB   . THR   A 1 107 ? 36.033 14.759  4.739   1.00 12.20 ?  107 THR   A HB   1 
ATOM   1766 H  HG1  . THR   A 1 107 ? 34.281 15.376  5.933   0.00 13.80 ?  107 THR   A HG1  1 
ATOM   1767 H  HG21 . THR   A 1 107 ? 35.196 12.670  4.066   1.00 11.73 ?  107 THR   A HG21 1 
ATOM   1768 H  HG22 . THR   A 1 107 ? 34.084 13.767  4.097   1.00 12.16 ?  107 THR   A HG22 1 
ATOM   1769 H  HG23 . THR   A 1 107 ? 34.179 12.721  5.252   1.00 13.21 ?  107 THR   A HG23 1 
ATOM   1770 N  N    . LEU   A 1 108 ? 38.419 15.037  6.221   1.00 12.28 ?  108 LEU   A N    1 
ATOM   1771 C  CA   . LEU   A 1 108 ? 39.172 16.152  6.744   1.00 14.27 ?  108 LEU   A CA   1 
ATOM   1772 C  C    . LEU   A 1 108 ? 38.774 17.370  5.899   1.00 15.27 ?  108 LEU   A C    1 
ATOM   1773 O  O    . LEU   A 1 108 ? 39.395 17.633  4.882   1.00 14.99 ?  108 LEU   A O    1 
ATOM   1774 C  CB   . LEU   A 1 108 ? 40.649 15.866  6.587   1.00 15.03 ?  108 LEU   A CB   1 
ATOM   1775 C  CG   . LEU   A 1 108 ? 41.553 16.916  7.229   1.00 17.32 ?  108 LEU   A CG   1 
ATOM   1776 C  CD1  . LEU   A 1 108 ? 41.494 16.843  8.746   1.00 19.08 ?  108 LEU   A CD1  1 
ATOM   1777 C  CD2  . LEU   A 1 108 ? 42.947 16.662  6.723   1.00 18.05 ?  108 LEU   A CD2  1 
ATOM   1778 H  H    . LEU   A 1 108 ? 38.600 14.863  5.398   1.00 12.09 ?  108 LEU   A H    1 
ATOM   1779 H  HA   . LEU   A 1 108 ? 38.966 16.317  7.686   1.00 14.50 ?  108 LEU   A HA   1 
ATOM   1780 H  HB2  . LEU   A 1 108 ? 40.843 15.017  7.014   1.00 15.07 ?  108 LEU   A HB2  1 
ATOM   1781 H  HB3  . LEU   A 1 108 ? 40.866 15.808  5.644   1.00 15.51 ?  108 LEU   A HB3  1 
ATOM   1782 H  HG   . LEU   A 1 108 ? 41.284 17.805  6.950   1.00 17.46 ?  108 LEU   A HG   1 
ATOM   1783 H  HD11 . LEU   A 1 108 ? 40.614 17.085  9.043   1.00 18.89 ?  108 LEU   A HD11 1 
ATOM   1784 H  HD12 . LEU   A 1 108 ? 42.139 17.453  9.111   1.00 17.93 ?  108 LEU   A HD12 1 
ATOM   1785 H  HD13 . LEU   A 1 108 ? 41.698 15.947  9.024   1.00 18.38 ?  108 LEU   A HD13 1 
ATOM   1786 H  HD21 . LEU   A 1 108 ? 43.196 15.758  6.931   1.00 17.87 ?  108 LEU   A HD21 1 
ATOM   1787 H  HD22 . LEU   A 1 108 ? 43.550 17.274  7.151   1.00 15.83 ?  108 LEU   A HD22 1 
ATOM   1788 H  HD23 . LEU   A 1 108 ? 42.967 16.797  5.772   1.00 17.59 ?  108 LEU   A HD23 1 
ATOM   1789 N  N    . PRO   A 1 109 ? 37.689 18.072  6.264   1.00 21.24 ?  109 PRO   A N    1 
ATOM   1790 C  CA   . PRO   A 1 109 ? 37.307 19.228  5.455   1.00 22.51 ?  109 PRO   A CA   1 
ATOM   1791 C  C    . PRO   A 1 109 ? 38.236 20.393  5.736   1.00 21.55 ?  109 PRO   A C    1 
ATOM   1792 O  O    . PRO   A 1 109 ? 38.864 20.446  6.793   1.00 21.97 ?  109 PRO   A O    1 
ATOM   1793 C  CB   . PRO   A 1 109 ? 35.876 19.536  5.924   1.00 24.21 ?  109 PRO   A CB   1 
ATOM   1794 C  CG   . PRO   A 1 109 ? 35.833 19.019  7.314   1.00 24.88 ?  109 PRO   A CG   1 
ATOM   1795 C  CD   . PRO   A 1 109 ? 36.677 17.769  7.290   1.00 21.42 ?  109 PRO   A CD   1 
ATOM   1796 H  HA   . PRO   A 1 109 ? 37.304 19.016  4.498   1.00 21.62 ?  109 PRO   A HA   1 
ATOM   1797 H  HB2  . PRO   A 1 109 ? 35.714 20.492  5.905   1.00 23.25 ?  109 PRO   A HB2  1 
ATOM   1798 H  HB3  . PRO   A 1 109 ? 35.239 19.066  5.363   1.00 24.49 ?  109 PRO   A HB3  1 
ATOM   1799 H  HG2  . PRO   A 1 109 ? 36.212 19.677  7.918   1.00 24.07 ?  109 PRO   A HG2  1 
ATOM   1800 H  HG3  . PRO   A 1 109 ? 34.918 18.821  7.556   1.00 23.76 ?  109 PRO   A HG3  1 
ATOM   1801 H  HD2  . PRO   A 1 109 ? 37.094 17.626  8.153   1.00 22.18 ?  109 PRO   A HD2  1 
ATOM   1802 H  HD3  . PRO   A 1 109 ? 36.143 17.008  7.023   1.00 21.66 ?  109 PRO   A HD3  1 
ATOM   1803 N  N    . PHE   A 1 110 ? 38.354 21.303  4.776   1.00 23.96 ?  110 PHE   A N    1 
ATOM   1804 C  CA   . PHE   A 1 110 ? 39.138 22.502  5.008   1.00 23.96 ?  110 PHE   A CA   1 
ATOM   1805 C  C    . PHE   A 1 110 ? 38.347 23.486  5.861   1.00 25.43 ?  110 PHE   A C    1 
ATOM   1806 O  O    . PHE   A 1 110 ? 37.119 23.560  5.756   1.00 28.16 ?  110 PHE   A O    1 
ATOM   1807 C  CB   . PHE   A 1 110 ? 39.551 23.155  3.687   1.00 22.73 ?  110 PHE   A CB   1 
ATOM   1808 C  CG   . PHE   A 1 110 ? 40.506 22.315  2.885   1.00 21.32 ?  110 PHE   A CG   1 
ATOM   1809 C  CD1  . PHE   A 1 110 ? 40.093 21.645  1.746   1.00 22.81 ?  110 PHE   A CD1  1 
ATOM   1810 C  CD2  . PHE   A 1 110 ? 41.816 22.179  3.302   1.00 21.65 ?  110 PHE   A CD2  1 
ATOM   1811 C  CE1  . PHE   A 1 110 ? 40.979 20.871  1.024   1.00 21.98 ?  110 PHE   A CE1  1 
ATOM   1812 C  CE2  . PHE   A 1 110 ? 42.707 21.390  2.592   1.00 20.76 ?  110 PHE   A CE2  1 
ATOM   1813 C  CZ   . PHE   A 1 110 ? 42.279 20.731  1.454   1.00 21.75 ?  110 PHE   A CZ   1 
ATOM   1814 H  H    . PHE   A 1 110 ? 37.993 21.248  3.997   1.00 23.89 ?  110 PHE   A H    1 
ATOM   1815 H  HA   . PHE   A 1 110 ? 39.958 22.254  5.481   1.00 24.53 ?  110 PHE   A HA   1 
ATOM   1816 H  HB2  . PHE   A 1 110 ? 38.760 23.317  3.150   1.00 23.57 ?  110 PHE   A HB2  1 
ATOM   1817 H  HB3  . PHE   A 1 110 ? 39.994 23.995  3.886   1.00 23.48 ?  110 PHE   A HB3  1 
ATOM   1818 H  HD1  . PHE   A 1 110 ? 39.216 21.730  1.453   1.00 23.10 ?  110 PHE   A HD1  1 
ATOM   1819 H  HD2  . PHE   A 1 110 ? 42.098 22.612  4.075   1.00 21.53 ?  110 PHE   A HD2  1 
ATOM   1820 H  HE1  . PHE   A 1 110 ? 40.693 20.427  0.259   1.00 22.20 ?  110 PHE   A HE1  1 
ATOM   1821 H  HE2  . PHE   A 1 110 ? 43.587 21.305  2.880   1.00 21.52 ?  110 PHE   A HE2  1 
ATOM   1822 H  HZ   . PHE   A 1 110 ? 42.876 20.211  0.965   1.00 22.68 ?  110 PHE   A HZ   1 
ATOM   1823 N  N    . PRO   A 1 111 ? 39.052 24.234  6.716   1.00 25.40 ?  111 PRO   A N    1 
ATOM   1824 C  CA   . PRO   A 1 111 ? 38.424 25.404  7.338   1.00 27.08 ?  111 PRO   A CA   1 
ATOM   1825 C  C    . PRO   A 1 111 ? 38.229 26.526  6.312   1.00 29.94 ?  111 PRO   A C    1 
ATOM   1826 O  O    . PRO   A 1 111 ? 38.868 26.516  5.255   1.00 27.76 ?  111 PRO   A O    1 
ATOM   1827 C  CB   . PRO   A 1 111 ? 39.441 25.813  8.398   1.00 28.96 ?  111 PRO   A CB   1 
ATOM   1828 C  CG   . PRO   A 1 111 ? 40.759 25.411  7.817   1.00 28.29 ?  111 PRO   A CG   1 
ATOM   1829 C  CD   . PRO   A 1 111 ? 40.498 24.161  7.012   1.00 26.58 ?  111 PRO   A CD   1 
ATOM   1830 H  HA   . PRO   A 1 111 ? 37.571 25.173  7.761   1.00 27.27 ?  111 PRO   A HA   1 
ATOM   1831 H  HB2  . PRO   A 1 111 ? 39.405 26.772  8.543   1.00 28.72 ?  111 PRO   A HB2  1 
ATOM   1832 H  HB3  . PRO   A 1 111 ? 39.267 25.333  9.222   1.00 28.49 ?  111 PRO   A HB3  1 
ATOM   1833 H  HG2  . PRO   A 1 111 ? 41.092 26.120  7.245   1.00 29.41 ?  111 PRO   A HG2  1 
ATOM   1834 H  HG3  . PRO   A 1 111 ? 41.386 25.228  8.533   1.00 29.11 ?  111 PRO   A HG3  1 
ATOM   1835 H  HD2  . PRO   A 1 111 ? 41.018 24.182  6.194   1.00 26.91 ?  111 PRO   A HD2  1 
ATOM   1836 H  HD3  . PRO   A 1 111 ? 40.695 23.371  7.541   1.00 26.45 ?  111 PRO   A HD3  1 
ATOM   1837 N  N    . SER   A 1 112 ? 37.354 27.487  6.617   1.00 31.55 ?  112 SER   A N    1 
ATOM   1838 C  CA   . SER   A 1 112 ? 37.099 28.602  5.700   1.00 31.40 ?  112 SER   A CA   1 
ATOM   1839 C  C    . SER   A 1 112 ? 38.382 29.401  5.411   1.00 28.63 ?  112 SER   A C    1 
ATOM   1840 O  O    . SER   A 1 112 ? 38.628 29.799  4.268   1.00 35.55 ?  112 SER   A O    1 
ATOM   1841 C  CB   . SER   A 1 112 ? 35.998 29.518  6.251   1.00 33.76 ?  112 SER   A CB   1 
ATOM   1842 O  OG   . SER   A 1 112 ? 36.229 29.821  7.616   1.00 42.32 ?  112 SER   A OG   1 
ATOM   1843 H  H    . SER   A 1 112 ? 36.899 27.514  7.346   1.00 30.43 ?  112 SER   A H    1 
ATOM   1844 H  HA   . SER   A 1 112 ? 36.780 28.237  4.848   1.00 31.67 ?  112 SER   A HA   1 
ATOM   1845 H  HB2  . SER   A 1 112 ? 35.987 30.343  5.741   1.00 34.51 ?  112 SER   A HB2  1 
ATOM   1846 H  HB3  . SER   A 1 112 ? 35.143 29.067  6.169   1.00 34.80 ?  112 SER   A HB3  1 
ATOM   1847 H  HG   . SER   A 1 112 ? 35.587 30.365  7.837   0.00 36.16 ?  112 SER   A HG   1 
ATOM   1848 N  N    . GLN   A 1 113 ? 39.200 29.596  6.448   1.00 30.31 ?  113 GLN   A N    1 
ATOM   1849 C  CA   . GLN   A 1 113 ? 40.476 30.307  6.331   1.00 30.68 ?  113 GLN   A CA   1 
ATOM   1850 C  C    . GLN   A 1 113 ? 41.443 29.599  5.380   1.00 30.57 ?  113 GLN   A C    1 
ATOM   1851 O  O    . GLN   A 1 113 ? 41.586 28.375  5.428   1.00 30.95 ?  113 GLN   A O    1 
ATOM   1852 C  CB   . GLN   A 1 113 ? 41.118 30.452  7.701   1.00 32.49 ?  113 GLN   A CB   1 
ATOM   1853 H  H    . GLN   A 1 113 ? 39.032 29.323  7.247   1.00 30.91 ?  113 GLN   A H    1 
ATOM   1854 H  HA   . GLN   A 1 113 ? 40.303 31.206  5.984   1.00 31.57 ?  113 GLN   A HA   1 
ATOM   1855 H  HB2  . GLN   A 1 113 ? 40.523 30.941  8.274   1.00 31.72 ?  113 GLN   A HB2  1 
ATOM   1856 H  HB3  . GLN   A 1 113 ? 41.948 30.927  7.609   1.00 31.51 ?  113 GLN   A HB3  1 
ATOM   1857 N  N    . LYS   A 1 114 ? 42.099 30.375  4.523   1.00 30.64 ?  114 LYS   A N    1 
ATOM   1858 C  CA   . LYS   A 1 114 ? 43.070 29.846  3.558   1.00 30.32 ?  114 LYS   A CA   1 
ATOM   1859 C  C    . LYS   A 1 114 ? 44.327 30.717  3.587   1.00 28.25 ?  114 LYS   A C    1 
ATOM   1860 O  O    . LYS   A 1 114 ? 44.907 31.042  2.544   1.00 30.62 ?  114 LYS   A O    1 
ATOM   1861 C  CB   . LYS   A 1 114 ? 42.466 29.812  2.151   1.00 32.96 ?  114 LYS   A CB   1 
ATOM   1862 C  CG   . LYS   A 1 114 ? 41.775 31.114  1.764   1.00 36.51 ?  114 LYS   A CG   1 
ATOM   1863 C  CD   . LYS   A 1 114 ? 41.814 31.367  0.271   1.00 39.80 ?  114 LYS   A CD   1 
ATOM   1864 C  CE   . LYS   A 1 114 ? 40.722 30.603  -0.447  1.00 40.58 ?  114 LYS   A CE   1 
ATOM   1865 N  NZ   . LYS   A 1 114 ? 40.803 30.858  -1.908  1.00 40.75 ?  114 LYS   A NZ   1 
ATOM   1866 H  H    . LYS   A 1 114 ? 42.004 31.229  4.483   1.00 31.01 ?  114 LYS   A H    1 
ATOM   1867 H  HA   . LYS   A 1 114 ? 43.330 28.933  3.801   1.00 31.14 ?  114 LYS   A HA   1 
ATOM   1868 H  HB2  . LYS   A 1 114 ? 43.164 29.622  1.506   1.00 33.04 ?  114 LYS   A HB2  1 
ATOM   1869 H  HB3  . LYS   A 1 114 ? 41.798 29.109  2.121   1.00 32.67 ?  114 LYS   A HB3  1 
ATOM   1870 H  HG2  . LYS   A 1 114 ? 40.845 31.072  2.038   1.00 36.47 ?  114 LYS   A HG2  1 
ATOM   1871 H  HG3  . LYS   A 1 114 ? 42.214 31.859  2.202   1.00 35.83 ?  114 LYS   A HG3  1 
ATOM   1872 H  HD2  . LYS   A 1 114 ? 41.678 32.313  0.106   1.00 38.92 ?  114 LYS   A HD2  1 
ATOM   1873 H  HD3  . LYS   A 1 114 ? 42.671 31.087  -0.088  1.00 38.57 ?  114 LYS   A HD3  1 
ATOM   1874 H  HE2  . LYS   A 1 114 ? 40.834 29.652  -0.291  1.00 38.95 ?  114 LYS   A HE2  1 
ATOM   1875 H  HE3  . LYS   A 1 114 ? 39.855 30.901  -0.130  1.00 39.81 ?  114 LYS   A HE3  1 
ATOM   1876 H  HZ1  . LYS   A 1 114 ? 40.550 31.766  -2.097  1.00 39.96 ?  114 LYS   A HZ1  1 
ATOM   1877 H  HZ2  . LYS   A 1 114 ? 40.207 30.264  -2.371  1.00 40.23 ?  114 LYS   A HZ2  1 
ATOM   1878 H  HZ3  . LYS   A 1 114 ? 41.700 30.714  -2.218  1.00 39.46 ?  114 LYS   A HZ3  1 
ATOM   1879 N  N    . ASN   A 1 115 ? 44.751 31.075  4.795   1.00 27.23 ?  115 ASN   A N    1 
ATOM   1880 C  CA   . ASN   A 1 115 ? 45.918 31.933  4.979   1.00 29.50 ?  115 ASN   A CA   1 
ATOM   1881 C  C    . ASN   A 1 115 ? 47.201 31.254  4.496   1.00 29.01 ?  115 ASN   A C    1 
ATOM   1882 O  O    . ASN   A 1 115 ? 47.340 30.036  4.585   1.00 27.56 ?  115 ASN   A O    1 
ATOM   1883 C  CB   . ASN   A 1 115 ? 46.047 32.348  6.454   1.00 33.17 ?  115 ASN   A CB   1 
ATOM   1884 C  CG   . ASN   A 1 115 ? 44.788 33.033  6.982   1.00 38.65 ?  115 ASN   A CG   1 
ATOM   1885 O  OD1  . ASN   A 1 115 ? 44.289 32.701  8.060   1.00 46.88 ?  115 ASN   A OD1  1 
ATOM   1886 N  ND2  . ASN   A 1 115 ? 44.263 33.979  6.215   1.00 34.25 ?  115 ASN   A ND2  1 
ATOM   1887 H  H    . ASN   A 1 115 ? 44.384 30.817  5.529   1.00 28.94 ?  115 ASN   A H    1 
ATOM   1888 H  HA   . ASN   A 1 115 ? 45.795 32.744  4.443   1.00 30.73 ?  115 ASN   A HA   1 
ATOM   1889 H  HB2  . ASN   A 1 115 ? 46.208 31.557  6.992   1.00 33.67 ?  115 ASN   A HB2  1 
ATOM   1890 H  HB3  . ASN   A 1 115 ? 46.788 32.968  6.545   1.00 33.63 ?  115 ASN   A HB3  1 
ATOM   1891 H  HD21 . ASN   A 1 115 ? 43.319 34.231  6.331   1.00 35.08 ?  115 ASN   A HD21 1 
ATOM   1892 H  HD22 . ASN   A 1 115 ? 44.811 34.432  5.537   1.00 34.39 ?  115 ASN   A HD22 1 
ATOM   1893 N  N    . PHE   A 1 116 ? 48.119 32.063  3.981   1.00 25.84 ?  116 PHE   A N    1 
ATOM   1894 C  CA   . PHE   A 1 116 ? 49.423 31.606  3.514   1.00 23.23 ?  116 PHE   A CA   1 
ATOM   1895 C  C    . PHE   A 1 116 ? 50.243 31.193  4.727   1.00 24.03 ?  116 PHE   A C    1 
ATOM   1896 O  O    . PHE   A 1 116 ? 50.391 31.978  5.665   1.00 31.36 ?  116 PHE   A O    1 
ATOM   1897 C  CB   . PHE   A 1 116 ? 50.108 32.762  2.783   1.00 23.94 ?  116 PHE   A CB   1 
ATOM   1898 C  CG   . PHE   A 1 116 ? 51.342 32.379  2.011   1.00 21.97 ?  116 PHE   A CG   1 
ATOM   1899 C  CD1  . PHE   A 1 116 ? 52.588 32.417  2.615   1.00 22.92 ?  116 PHE   A CD1  1 
ATOM   1900 C  CD2  . PHE   A 1 116 ? 51.262 32.060  0.662   1.00 19.84 ?  116 PHE   A CD2  1 
ATOM   1901 C  CE1  . PHE   A 1 116 ? 53.734 32.088  1.905   1.00 22.14 ?  116 PHE   A CE1  1 
ATOM   1902 C  CE2  . PHE   A 1 116 ? 52.401 31.750  -0.061  1.00 21.72 ?  116 PHE   A CE2  1 
ATOM   1903 C  CZ   . PHE   A 1 116 ? 53.643 31.770  0.562   1.00 21.29 ?  116 PHE   A CZ   1 
ATOM   1904 H  H    . PHE   A 1 116 ? 48.004 32.911  3.896   1.00 26.17 ?  116 PHE   A H    1 
ATOM   1905 H  HA   . PHE   A 1 116 ? 49.322 30.846  2.904   1.00 23.61 ?  116 PHE   A HA   1 
ATOM   1906 H  HB2  . PHE   A 1 116 ? 49.479 33.143  2.151   1.00 24.58 ?  116 PHE   A HB2  1 
ATOM   1907 H  HB3  . PHE   A 1 116 ? 50.364 33.436  3.432   1.00 24.26 ?  116 PHE   A HB3  1 
ATOM   1908 H  HD1  . PHE   A 1 116 ? 52.655 32.635  3.516   1.00 22.36 ?  116 PHE   A HD1  1 
ATOM   1909 H  HD2  . PHE   A 1 116 ? 50.433 32.054  0.240   1.00 20.31 ?  116 PHE   A HD2  1 
ATOM   1910 H  HE1  . PHE   A 1 116 ? 54.563 32.105  2.324   1.00 22.08 ?  116 PHE   A HE1  1 
ATOM   1911 H  HE2  . PHE   A 1 116 ? 52.334 31.522  -0.960  1.00 21.49 ?  116 PHE   A HE2  1 
ATOM   1912 H  HZ   . PHE   A 1 116 ? 54.408 31.547  0.083   1.00 21.68 ?  116 PHE   A HZ   1 
ATOM   1913 N  N    . VAL   A 1 117 ? 50.765 29.966  4.718   1.00 20.89 ?  117 VAL   A N    1 
ATOM   1914 C  CA   . VAL   A 1 117 ? 51.551 29.451  5.845   1.00 21.40 ?  117 VAL   A CA   1 
ATOM   1915 C  C    . VAL   A 1 117 ? 53.026 29.786  5.655   1.00 21.21 ?  117 VAL   A C    1 
ATOM   1916 O  O    . VAL   A 1 117 ? 53.674 29.295  4.711   1.00 20.63 ?  117 VAL   A O    1 
ATOM   1917 C  CB   . VAL   A 1 117 ? 51.382 27.924  6.036   1.00 22.22 ?  117 VAL   A CB   1 
ATOM   1918 C  CG1  . VAL   A 1 117 ? 52.057 27.447  7.322   1.00 23.93 ?  117 VAL   A CG1  1 
ATOM   1919 C  CG2  . VAL   A 1 117 ? 49.905 27.551  6.055   1.00 22.17 ?  117 VAL   A CG2  1 
ATOM   1920 H  H    . VAL   A 1 117 ? 50.685 29.410  4.066   1.00 21.78 ?  117 VAL   A H    1 
ATOM   1921 H  HA   . VAL   A 1 117 ? 51.230 29.869  6.669   1.00 21.28 ?  117 VAL   A HA   1 
ATOM   1922 H  HB   . VAL   A 1 117 ? 51.802 27.458  5.282   1.00 21.98 ?  117 VAL   A HB   1 
ATOM   1923 H  HG11 . VAL   A 1 117 ? 52.997 27.625  7.277   1.00 23.04 ?  117 VAL   A HG11 1 
ATOM   1924 H  HG12 . VAL   A 1 117 ? 51.909 26.503  7.420   1.00 23.20 ?  117 VAL   A HG12 1 
ATOM   1925 H  HG13 . VAL   A 1 117 ? 51.672 27.916  8.066   1.00 23.50 ?  117 VAL   A HG13 1 
ATOM   1926 H  HG21 . VAL   A 1 117 ? 49.447 28.116  6.683   1.00 22.36 ?  117 VAL   A HG21 1 
ATOM   1927 H  HG22 . VAL   A 1 117 ? 49.832 26.635  6.326   1.00 21.94 ?  117 VAL   A HG22 1 
ATOM   1928 H  HG23 . VAL   A 1 117 ? 49.535 27.664  5.177   1.00 22.34 ?  117 VAL   A HG23 1 
ATOM   1929 N  N    . PRO   A 1 118 ? 53.579 30.614  6.555   1.00 21.48 ?  118 PRO   A N    1 
ATOM   1930 C  CA   . PRO   A 1 118 ? 54.977 30.970  6.412   1.00 21.36 ?  118 PRO   A CA   1 
ATOM   1931 C  C    . PRO   A 1 118 ? 55.907 29.879  6.932   1.00 21.56 ?  118 PRO   A C    1 
ATOM   1932 O  O    . PRO   A 1 118 ? 55.465 28.979  7.622   1.00 21.26 ?  118 PRO   A O    1 
ATOM   1933 C  CB   . PRO   A 1 118 ? 55.092 32.223  7.290   1.00 24.26 ?  118 PRO   A CB   1 
ATOM   1934 C  CG   . PRO   A 1 118 ? 54.145 31.944  8.400   1.00 25.45 ?  118 PRO   A CG   1 
ATOM   1935 C  CD   . PRO   A 1 118 ? 52.976 31.260  7.741   1.00 21.91 ?  118 PRO   A CD   1 
ATOM   1936 H  HA   . PRO   A 1 118 ? 55.184 31.198  5.482   1.00 21.98 ?  118 PRO   A HA   1 
ATOM   1937 H  HB2  . PRO   A 1 118 ? 55.998 32.321  7.621   1.00 24.11 ?  118 PRO   A HB2  1 
ATOM   1938 H  HB3  . PRO   A 1 118 ? 54.818 33.006  6.788   1.00 24.74 ?  118 PRO   A HB3  1 
ATOM   1939 H  HG2  . PRO   A 1 118 ? 54.563 31.361  9.052   1.00 25.53 ?  118 PRO   A HG2  1 
ATOM   1940 H  HG3  . PRO   A 1 118 ? 53.868 32.778  8.811   1.00 24.53 ?  118 PRO   A HG3  1 
ATOM   1941 H  HD2  . PRO   A 1 118 ? 52.601 30.594  8.338   1.00 23.30 ?  118 PRO   A HD2  1 
ATOM   1942 H  HD3  . PRO   A 1 118 ? 52.312 31.913  7.473   1.00 22.48 ?  118 PRO   A HD3  1 
ATOM   1943 N  N    . PRO   A 1 119 ? 57.209 29.966  6.608   1.00 19.76 ?  119 PRO   A N    1 
ATOM   1944 C  CA   . PRO   A 1 119 ? 58.184 29.033  7.165   1.00 21.02 ?  119 PRO   A CA   1 
ATOM   1945 C  C    . PRO   A 1 119 ? 58.296 29.111  8.689   1.00 19.88 ?  119 PRO   A C    1 
ATOM   1946 O  O    . PRO   A 1 119 ? 57.965 30.142  9.281   1.00 23.27 ?  119 PRO   A O    1 
ATOM   1947 C  CB   . PRO   A 1 119 ? 59.498 29.495  6.535   1.00 21.45 ?  119 PRO   A CB   1 
ATOM   1948 C  CG   . PRO   A 1 119 ? 59.094 30.209  5.290   1.00 21.65 ?  119 PRO   A CG   1 
ATOM   1949 C  CD   . PRO   A 1 119 ? 57.817 30.893  5.634   1.00 21.15 ?  119 PRO   A CD   1 
ATOM   1950 H  HA   . PRO   A 1 119 ? 57.988 28.115  6.889   1.00 20.42 ?  119 PRO   A HA   1 
ATOM   1951 H  HB2  . PRO   A 1 119 ? 59.961 30.097  7.138   1.00 21.09 ?  119 PRO   A HB2  1 
ATOM   1952 H  HB3  . PRO   A 1 119 ? 60.047 28.726  6.331   1.00 21.32 ?  119 PRO   A HB3  1 
ATOM   1953 H  HG2  . PRO   A 1 119 ? 59.770 30.859  5.047   1.00 20.86 ?  119 PRO   A HG2  1 
ATOM   1954 H  HG3  . PRO   A 1 119 ? 58.958 29.569  4.574   1.00 21.28 ?  119 PRO   A HG3  1 
ATOM   1955 H  HD2  . PRO   A 1 119 ? 57.991 31.754  6.045   1.00 21.19 ?  119 PRO   A HD2  1 
ATOM   1956 H  HD3  . PRO   A 1 119 ? 57.267 30.977  4.841   1.00 21.72 ?  119 PRO   A HD3  1 
ATOM   1957 N  N    . GLY   A 1 120 ? 58.784 28.032  9.301   1.00 20.85 ?  120 GLY   A N    1 
ATOM   1958 C  CA   . GLY   A 1 120 ? 59.213 28.013  10.701  1.00 23.48 ?  120 GLY   A CA   1 
ATOM   1959 C  C    . GLY   A 1 120 ? 58.580 26.956  11.601  1.00 22.44 ?  120 GLY   A C    1 
ATOM   1960 O  O    . GLY   A 1 120 ? 59.241 26.379  12.459  1.00 24.13 ?  120 GLY   A O    1 
ATOM   1961 H  H    . GLY   A 1 120 ? 58.880 27.271  8.912   1.00 20.69 ?  120 GLY   A H    1 
ATOM   1962 H  HA2  . GLY   A 1 120 ? 60.172 27.872  10.722  1.00 22.93 ?  120 GLY   A HA2  1 
ATOM   1963 H  HA3  . GLY   A 1 120 ? 59.038 28.877  11.106  1.00 22.93 ?  120 GLY   A HA3  1 
ATOM   1964 N  N    . ARG   A 1 121 ? 57.299 26.688  11.407  1.00 20.62 ?  121 ARG   A N    1 
ATOM   1965 C  CA   . ARG   A 1 121 ? 56.594 25.767  12.299  1.00 20.35 ?  121 ARG   A CA   1 
ATOM   1966 C  C    . ARG   A 1 121 ? 56.859 24.273  11.981  1.00 16.74 ?  121 ARG   A C    1 
ATOM   1967 O  O    . ARG   A 1 121 ? 57.469 23.913  10.973  1.00 18.10 ?  121 ARG   A O    1 
ATOM   1968 C  CB   . ARG   A 1 121 ? 55.091 26.070  12.297  1.00 23.06 ?  121 ARG   A CB   1 
ATOM   1969 C  CG   . ARG   A 1 121 ? 54.398 25.782  10.972  1.00 25.22 ?  121 ARG   A CG   1 
ATOM   1970 C  CD   . ARG   A 1 121 ? 52.900 25.546  11.130  1.00 28.56 ?  121 ARG   A CD   1 
ATOM   1971 N  NE   . ARG   A 1 121 ? 52.633 24.497  12.123  1.00 30.01 ?  121 ARG   A NE   1 
ATOM   1972 C  CZ   . ARG   A 1 121 ? 51.795 24.601  13.152  1.00 32.12 ?  121 ARG   A CZ   1 
ATOM   1973 N  NH1  . ARG   A 1 121 ? 51.674 23.584  13.995  1.00 36.93 ?  121 ARG   A NH1  1 
ATOM   1974 N  NH2  . ARG   A 1 121 ? 51.060 25.700  13.340  1.00 34.03 ?  121 ARG   A NH2  1 
ATOM   1975 H  H    . ARG   A 1 121 ? 56.820 27.020  10.775  1.00 22.90 ?  121 ARG   A H    1 
ATOM   1976 H  HA   . ARG   A 1 121 ? 56.904 25.922  13.216  1.00 21.05 ?  121 ARG   A HA   1 
ATOM   1977 H  HB2  . ARG   A 1 121 ? 54.672 25.537  12.988  1.00 23.16 ?  121 ARG   A HB2  1 
ATOM   1978 H  HB3  . ARG   A 1 121 ? 54.967 27.012  12.492  1.00 22.81 ?  121 ARG   A HB3  1 
ATOM   1979 H  HG2  . ARG   A 1 121 ? 54.514 26.538  10.381  1.00 25.52 ?  121 ARG   A HG2  1 
ATOM   1980 H  HG3  . ARG   A 1 121 ? 54.779 24.989  10.568  1.00 25.18 ?  121 ARG   A HG3  1 
ATOM   1981 H  HD2  . ARG   A 1 121 ? 52.487 26.377  11.402  1.00 28.67 ?  121 ARG   A HD2  1 
ATOM   1982 H  HD3  . ARG   A 1 121 ? 52.537 25.260  10.277  1.00 28.29 ?  121 ARG   A HD3  1 
ATOM   1983 H  HE   . ARG   A 1 121 ? 53.073 23.643  11.987  1.00 29.96 ?  121 ARG   A HE   1 
ATOM   1984 H  HH11 . ARG   A 1 121 ? 52.134 22.867  13.877  1.00 35.18 ?  121 ARG   A HH11 1 
ATOM   1985 H  HH12 . ARG   A 1 121 ? 51.123 23.631  14.653  1.00 34.41 ?  121 ARG   A HH12 1 
ATOM   1986 H  HH21 . ARG   A 1 121 ? 51.124 26.374  12.815  1.00 32.44 ?  121 ARG   A HH21 1 
ATOM   1987 H  HH22 . ARG   A 1 121 ? 50.520 25.740  14.008  1.00 31.47 ?  121 ARG   A HH22 1 
ATOM   1988 N  N    . MET   A 1 122 ? 56.391 23.412  12.868  1.00 15.54 ?  122 MET   A N    1 
ATOM   1989 C  CA   . MET   A 1 122 ? 56.457 21.968  12.692  1.00 15.36 ?  122 MET   A CA   1 
ATOM   1990 C  C    . MET   A 1 122 ? 55.081 21.473  12.229  1.00 14.54 ?  122 MET   A C    1 
ATOM   1991 O  O    . MET   A 1 122 ? 54.031 21.944  12.671  1.00 16.04 ?  122 MET   A O    1 
ATOM   1992 C  CB   . MET   A 1 122 ? 56.834 21.241  13.999  1.00 17.08 ?  122 MET   A CB   1 
ATOM   1993 C  CG   . MET   A 1 122 ? 58.197 21.567  14.598  1.00 19.65 ?  122 MET   A CG   1 
ATOM   1994 S  SD   . MET   A 1 122 ? 59.552 21.275  13.460  1.00 21.99 ?  122 MET   A SD   1 
ATOM   1995 C  CE   . MET   A 1 122 ? 59.701 19.511  13.425  1.00 22.42 ?  122 MET   A CE   1 
ATOM   1996 H  H    . MET   A 1 122 ? 56.016 23.646  13.607  1.00 15.40 ?  122 MET   A H    1 
ATOM   1997 H  HA   . MET   A 1 122 ? 57.127 21.745  12.015  1.00 15.27 ?  122 MET   A HA   1 
ATOM   1998 H  HB2  . MET   A 1 122 ? 56.167 21.460  14.669  1.00 17.32 ?  122 MET   A HB2  1 
ATOM   1999 H  HB3  . MET   A 1 122 ? 56.816 20.286  13.830  1.00 16.88 ?  122 MET   A HB3  1 
ATOM   2000 H  HG2  . MET   A 1 122 ? 58.215 22.503  14.850  1.00 19.36 ?  122 MET   A HG2  1 
ATOM   2001 H  HG3  . MET   A 1 122 ? 58.339 21.010  15.380  1.00 19.76 ?  122 MET   A HG3  1 
ATOM   2002 H  HE1  . MET   A 1 122 ? 59.832 19.190  14.318  1.00 22.14 ?  122 MET   A HE1  1 
ATOM   2003 H  HE2  . MET   A 1 122 ? 60.455 19.275  12.880  1.00 21.90 ?  122 MET   A HE2  1 
ATOM   2004 H  HE3  . MET   A 1 122 ? 58.902 19.144  13.047  1.00 22.22 ?  122 MET   A HE3  1 
ATOM   2005 N  N    . CYS   A 1 123 ? 55.107 20.529  11.297  1.00 12.17 ?  123 CYS   A N    1 
ATOM   2006 C  CA   . CYS   A 1 123 ? 53.903 19.904  10.754  1.00 12.31 ?  123 CYS   A CA   1 
ATOM   2007 C  C    . CYS   A 1 123 ? 54.133 18.403  10.734  1.00 11.60 ?  123 CYS   A C    1 
ATOM   2008 O  O    . CYS   A 1 123 ? 55.218 17.926  10.998  1.00 13.90 ?  123 CYS   A O    1 
ATOM   2009 C  CB   . CYS   A 1 123 ? 53.609 20.461  9.354   1.00 14.83 ?  123 CYS   A CB   1 
ATOM   2010 S  SG   . CYS   A 1 123 ? 53.462 22.280  9.299   1.00 17.25 ?  123 CYS   A SG   1 
ATOM   2011 H  H    . CYS   A 1 123 ? 55.833 20.224  10.948  1.00 13.02 ?  123 CYS   A H    1 
ATOM   2012 H  HA   . CYS   A 1 123 ? 53.131 20.087  11.329  1.00 12.49 ?  123 CYS   A HA   1 
ATOM   2013 H  HB2  . CYS   A 1 123 ? 54.337 20.211  8.765   1.00 14.64 ?  123 CYS   A HB2  1 
ATOM   2014 H  HB3  . CYS   A 1 123 ? 52.780 20.085  9.025   1.00 14.51 ?  123 CYS   A HB3  1 
ATOM   2015 H  HG   . CYS   A 1 123 ? 54.561 22.812  9.847   1.00 15.86 ?  123 CYS   A HG   1 
ATOM   2016 N  N    . ARG   A 1 124 ? 53.075 17.650  10.445  1.00 11.02 ?  124 ARG   A N    1 
ATOM   2017 C  CA   . ARG   A 1 124 ? 53.190 16.192  10.403  1.00 10.43 ?  124 ARG   A CA   1 
ATOM   2018 C  C    . ARG   A 1 124 ? 52.667 15.670  9.073   1.00 10.24 ?  124 ARG   A C    1 
ATOM   2019 O  O    . ARG   A 1 124 ? 51.699 16.181  8.541   1.00 10.94 ?  124 ARG   A O    1 
ATOM   2020 C  CB   . ARG   A 1 124 ? 52.415 15.549  11.565  1.00 12.62 ?  124 ARG   A CB   1 
ATOM   2021 C  CG   . ARG   A 1 124 ? 52.941 15.955  12.943  1.00 15.28 ?  124 ARG   A CG   1 
ATOM   2022 C  CD   . ARG   A 1 124 ? 52.002 15.523  14.059  1.00 17.69 ?  124 ARG   A CD   1 
ATOM   2023 N  NE   . ARG   A 1 124 ? 52.365 16.127  15.350  1.00 22.79 ?  124 ARG   A NE   1 
ATOM   2024 C  CZ   . ARG   A 1 124 ? 53.301 15.648  16.162  1.00 23.30 ?  124 ARG   A CZ   1 
ATOM   2025 N  NH1  . ARG   A 1 124 ? 53.970 14.543  15.837  1.00 24.17 ?  124 ARG   A NH1  1 
ATOM   2026 N  NH2  . ARG   A 1 124 ? 53.563 16.275  17.318  1.00 27.04 ?  124 ARG   A NH2  1 
ATOM   2027 H  H    . ARG   A 1 124 ? 52.288 17.952  10.273  1.00 11.27 ?  124 ARG   A H    1 
ATOM   2028 H  HA   . ARG   A 1 124 ? 54.127 15.931  10.488  1.00 10.91 ?  124 ARG   A HA   1 
ATOM   2029 H  HB2  . ARG   A 1 124 ? 51.485 15.818  11.508  1.00 13.01 ?  124 ARG   A HB2  1 
ATOM   2030 H  HB3  . ARG   A 1 124 ? 52.484 14.584  11.492  1.00 12.65 ?  124 ARG   A HB3  1 
ATOM   2031 H  HG2  . ARG   A 1 124 ? 53.802 15.535  13.092  1.00 15.62 ?  124 ARG   A HG2  1 
ATOM   2032 H  HG3  . ARG   A 1 124 ? 53.028 16.920  12.984  1.00 14.97 ?  124 ARG   A HG3  1 
ATOM   2033 H  HD2  . ARG   A 1 124 ? 51.109 15.825  13.843  1.00 18.09 ?  124 ARG   A HD2  1 
ATOM   2034 H  HD3  . ARG   A 1 124 ? 52.007 14.557  14.139  1.00 18.50 ?  124 ARG   A HD3  1 
ATOM   2035 H  HE   . ARG   A 1 124 ? 51.887 16.926  15.623  1.00 22.03 ?  124 ARG   A HE   1 
ATOM   2036 H  HH11 . ARG   A 1 124 ? 53.817 14.129  15.101  1.00 23.67 ?  124 ARG   A HH11 1 
ATOM   2037 H  HH12 . ARG   A 1 124 ? 54.572 14.239  16.370  1.00 24.45 ?  124 ARG   A HH12 1 
ATOM   2038 H  HH21 . ARG   A 1 124 ? 53.130 16.987  17.532  1.00 26.33 ?  124 ARG   A HH21 1 
ATOM   2039 H  HH22 . ARG   A 1 124 ? 54.164 15.966  17.850  1.00 27.09 ?  124 ARG   A HH22 1 
ATOM   2040 N  N    . VAL   A 1 125 ? 53.328 14.640  8.575   1.00 9.56  ?  125 VAL   A N    1 
ATOM   2041 C  CA   . VAL   A 1 125 ? 52.910 13.962  7.349   1.00 9.44  ?  125 VAL   A CA   1 
ATOM   2042 C  C    . VAL   A 1 125 ? 52.864 12.475  7.641   1.00 8.94  ?  125 VAL   A C    1 
ATOM   2043 O  O    . VAL   A 1 125 ? 53.681 11.956  8.400   1.00 9.55  ?  125 VAL   A O    1 
ATOM   2044 C  CB   . VAL   A 1 125 ? 53.855 14.303  6.170   1.00 10.78 ?  125 VAL   A CB   1 
ATOM   2045 C  CG1  . VAL   A 1 125 ? 55.274 13.927  6.464   1.00 11.55 ?  125 VAL   A CG1  1 
ATOM   2046 C  CG2  . VAL   A 1 125 ? 53.392 13.663  4.871   1.00 11.57 ?  125 VAL   A CG2  1 
ATOM   2047 H  H    . VAL   A 1 125 ? 54.030 14.300  8.937   1.00 9.75  ?  125 VAL   A H    1 
ATOM   2048 H  HA   . VAL   A 1 125 ? 52.007 14.248  7.101   1.00 9.67  ?  125 VAL   A HA   1 
ATOM   2049 H  HB   . VAL   A 1 125 ? 53.836 15.273  6.036   1.00 10.62 ?  125 VAL   A HB   1 
ATOM   2050 H  HG11 . VAL   A 1 125 ? 55.572 14.389  7.250   1.00 11.35 ?  125 VAL   A HG11 1 
ATOM   2051 H  HG12 . VAL   A 1 125 ? 55.818 14.183  5.715   1.00 10.66 ?  125 VAL   A HG12 1 
ATOM   2052 H  HG13 . VAL   A 1 125 ? 55.337 12.979  6.595   1.00 11.11 ?  125 VAL   A HG13 1 
ATOM   2053 H  HG21 . VAL   A 1 125 ? 53.463 12.708  4.942   1.00 11.32 ?  125 VAL   A HG21 1 
ATOM   2054 H  HG22 . VAL   A 1 125 ? 53.955 13.977  4.160   1.00 11.38 ?  125 VAL   A HG22 1 
ATOM   2055 H  HG23 . VAL   A 1 125 ? 52.483 13.914  4.702   1.00 11.36 ?  125 VAL   A HG23 1 
ATOM   2056 N  N    . ALA   A 1 126 ? 51.905 11.791  7.004   1.00 8.56  ?  126 ALA   A N    1 
ATOM   2057 C  CA   . ALA   A 1 126 ? 51.730 10.362  7.170   1.00 8.35  ?  126 ALA   A CA   1 
ATOM   2058 C  C    . ALA   A 1 126 ? 51.705 9.667   5.814   1.00 7.68  ?  126 ALA   A C    1 
ATOM   2059 O  O    . ALA   A 1 126 ? 51.323 10.264  4.808   1.00 8.84  ?  126 ALA   A O    1 
ATOM   2060 C  CB   . ALA   A 1 126 ? 50.445 10.055  7.928   1.00 9.16  ?  126 ALA   A CB   1 
ATOM   2061 H  H    . ALA   A 1 126 ? 51.337 12.146  6.464   1.00 8.67  ?  126 ALA   A H    1 
ATOM   2062 H  HA   . ALA   A 1 126 ? 52.479 9.999   7.680   1.00 8.53  ?  126 ALA   A HA   1 
ATOM   2063 H  HB1  . ALA   A 1 126 ? 50.488 10.468  8.794   1.00 8.90  ?  126 ALA   A HB1  1 
ATOM   2064 H  HB2  . ALA   A 1 126 ? 50.358 9.104   8.023   1.00 9.06  ?  126 ALA   A HB2  1 
ATOM   2065 H  HB3  . ALA   A 1 126 ? 49.700 10.405  7.434   1.00 9.34  ?  126 ALA   A HB3  1 
ATOM   2066 N  N    . GLY   A 1 127 ? 52.068 8.398   5.804   1.00 7.37  ?  127 GLY   A N    1 
ATOM   2067 C  CA   . GLY   A 1 127 ? 52.011 7.604   4.603   1.00 7.77  ?  127 GLY   A CA   1 
ATOM   2068 C  C    . GLY   A 1 127 ? 52.516 6.197   4.784   1.00 7.49  ?  127 GLY   A C    1 
ATOM   2069 O  O    . GLY   A 1 127 ? 53.116 5.832   5.823   1.00 8.40  ?  127 GLY   A O    1 
ATOM   2070 H  H    . GLY   A 1 127 ? 52.354 7.972   6.495   1.00 7.53  ?  127 GLY   A H    1 
ATOM   2071 H  HA2  . GLY   A 1 127 ? 51.092 7.557   4.298   1.00 7.80  ?  127 GLY   A HA2  1 
ATOM   2072 H  HA3  . GLY   A 1 127 ? 52.536 8.033   3.912   1.00 7.84  ?  127 GLY   A HA3  1 
ATOM   2073 N  N    . TRP   A 1 128 ? 52.281 5.402   3.745   1.00 7.72  ?  128 TRP   A N    1 
ATOM   2074 C  CA   . TRP   A 1 128 ? 52.746 4.030   3.665   1.00 7.70  ?  128 TRP   A CA   1 
ATOM   2075 C  C    . TRP   A 1 128 ? 53.962 3.860   2.775   1.00 7.91  ?  128 TRP   A C    1 
ATOM   2076 O  O    . TRP   A 1 128 ? 54.318 2.747   2.398   1.00 8.82  ?  128 TRP   A O    1 
ATOM   2077 C  CB   . TRP   A 1 128 ? 51.616 3.128   3.157   1.00 8.37  ?  128 TRP   A CB   1 
ATOM   2078 C  CG   . TRP   A 1 128 ? 50.447 2.926   4.097   1.00 8.09  ?  128 TRP   A CG   1 
ATOM   2079 C  CD1  . TRP   A 1 128 ? 50.320 1.934   5.005   1.00 8.33  ?  128 TRP   A CD1  1 
ATOM   2080 C  CD2  . TRP   A 1 128 ? 49.247 3.719   4.190   1.00 7.69  ?  128 TRP   A CD2  1 
ATOM   2081 N  NE1  . TRP   A 1 128 ? 49.114 2.033   5.640   1.00 8.29  ?  128 TRP   A NE1  1 
ATOM   2082 C  CE2  . TRP   A 1 128 ? 48.433 3.126   5.174   1.00 7.81  ?  128 TRP   A CE2  1 
ATOM   2083 C  CE3  . TRP   A 1 128 ? 48.771 4.854   3.527   1.00 8.25  ?  128 TRP   A CE3  1 
ATOM   2084 C  CZ2  . TRP   A 1 128 ? 47.177 3.633   5.501   1.00 8.52  ?  128 TRP   A CZ2  1 
ATOM   2085 C  CZ3  . TRP   A 1 128 ? 47.525 5.349   3.853   1.00 8.52  ?  128 TRP   A CZ3  1 
ATOM   2086 C  CH2  . TRP   A 1 128 ? 46.737 4.736   4.824   1.00 8.68  ?  128 TRP   A CH2  1 
ATOM   2087 H  H    . TRP   A 1 128 ? 51.841 5.651   3.050   1.00 7.67  ?  128 TRP   A H    1 
ATOM   2088 H  HA   . TRP   A 1 128 ? 52.990 3.712   4.559   1.00 7.76  ?  128 TRP   A HA   1 
ATOM   2089 H  HB2  . TRP   A 1 128 ? 51.266 3.506   2.335   1.00 8.21  ?  128 TRP   A HB2  1 
ATOM   2090 H  HB3  . TRP   A 1 128 ? 51.974 2.247   2.978   1.00 8.21  ?  128 TRP   A HB3  1 
ATOM   2091 H  HD1  . TRP   A 1 128 ? 50.952 1.270   5.161   1.00 8.09  ?  128 TRP   A HD1  1 
ATOM   2092 H  HE1  . TRP   A 1 128 ? 48.838 1.507   6.263   1.00 7.79  ?  128 TRP   A HE1  1 
ATOM   2093 H  HE3  . TRP   A 1 128 ? 49.276 5.255   2.857   1.00 8.36  ?  128 TRP   A HE3  1 
ATOM   2094 H  HZ2  . TRP   A 1 128 ? 46.656 3.235   6.160   1.00 8.19  ?  128 TRP   A HZ2  1 
ATOM   2095 H  HZ3  . TRP   A 1 128 ? 47.207 6.107   3.418   1.00 8.43  ?  128 TRP   A HZ3  1 
ATOM   2096 H  HH2  . TRP   A 1 128 ? 45.915 5.110   5.047   1.00 8.48  ?  128 TRP   A HH2  1 
ATOM   2097 N  N    . GLY   A 1 129 ? 54.625 4.965   2.441   1.00 8.21  ?  129 GLY   A N    1 
ATOM   2098 C  CA   . GLY   A 1 129 ? 55.761 4.907   1.530   1.00 9.27  ?  129 GLY   A CA   1 
ATOM   2099 C  C    . GLY   A 1 129 ? 56.999 4.260   2.111   1.00 9.26  ?  129 GLY   A C    1 
ATOM   2100 O  O    . GLY   A 1 129 ? 57.035 3.788   3.246   1.00 9.46  ?  129 GLY   A O    1 
ATOM   2101 H  H    . GLY   A 1 129 ? 54.448 5.757   2.725   1.00 8.12  ?  129 GLY   A H    1 
ATOM   2102 H  HA2  . GLY   A 1 129 ? 55.508 4.411   0.736   1.00 9.34  ?  129 GLY   A HA2  1 
ATOM   2103 H  HA3  . GLY   A 1 129 ? 55.993 5.809   1.259   1.00 9.07  ?  129 GLY   A HA3  1 
ATOM   2104 N  N    . ARG   A 1 130 ? 58.021 4.228   1.278   1.00 9.81  ?  130 ARG   A N    1 
ATOM   2105 C  CA   . ARG   A 1 130 ? 59.306 3.632   1.640   1.00 10.36 ?  130 ARG   A CA   1 
ATOM   2106 C  C    . ARG   A 1 130 ? 59.886 4.278   2.882   1.00 10.81 ?  130 ARG   A C    1 
ATOM   2107 O  O    . ARG   A 1 130 ? 59.741 5.471   3.103   1.00 11.26 ?  130 ARG   A O    1 
ATOM   2108 C  CB   . ARG   A 1 130 ? 60.304 3.786   0.489   1.00 11.28 ?  130 ARG   A CB   1 
ATOM   2109 C  CG   . ARG   A 1 130 ? 59.851 3.150   -0.814  1.00 12.99 ?  130 ARG   A CG   1 
ATOM   2110 C  CD   . ARG   A 1 130 ? 60.970 3.203   -1.850  1.00 13.94 ?  130 ARG   A CD   1 
ATOM   2111 N  NE   . ARG   A 1 130 ? 60.548 2.691   -3.150  1.00 18.37 ?  130 ARG   A NE   1 
ATOM   2112 C  CZ   . ARG   A 1 130 ? 60.720 1.443   -3.574  1.00 20.79 ?  130 ARG   A CZ   1 
ATOM   2113 N  NH1  . ARG   A 1 130 ? 61.295 0.530   -2.793  1.00 24.30 ?  130 ARG   A NH1  1 
ATOM   2114 N  NH2  . ARG   A 1 130 ? 60.294 1.095   -4.786  1.00 24.29 ?  130 ARG   A NH2  1 
ATOM   2115 H  H    . ARG   A 1 130 ? 57.996 4.564   0.488   1.00 9.88  ?  130 ARG   A H    1 
ATOM   2116 H  HA   . ARG   A 1 130 ? 59.182 2.678   1.811   1.00 10.73 ?  130 ARG   A HA   1 
ATOM   2117 H  HB2  . ARG   A 1 130 ? 60.435 4.731   0.321   1.00 11.51 ?  130 ARG   A HB2  1 
ATOM   2118 H  HB3  . ARG   A 1 130 ? 61.145 3.377   0.745   1.00 11.52 ?  130 ARG   A HB3  1 
ATOM   2119 H  HG2  . ARG   A 1 130 ? 59.621 2.221   -0.658  1.00 13.02 ?  130 ARG   A HG2  1 
ATOM   2120 H  HG3  . ARG   A 1 130 ? 59.089 3.631   -1.171  1.00 12.98 ?  130 ARG   A HG3  1 
ATOM   2121 H  HD2  . ARG   A 1 130 ? 61.221 4.132   -1.976  1.00 14.54 ?  130 ARG   A HD2  1 
ATOM   2122 H  HD3  . ARG   A 1 130 ? 61.738 2.707   -1.534  1.00 14.82 ?  130 ARG   A HD3  1 
ATOM   2123 H  HE   . ARG   A 1 130 ? 60.089 3.309   -3.740  1.00 18.58 ?  130 ARG   A HE   1 
ATOM   2124 H  HH11 . ARG   A 1 130 ? 61.576 0.729   -2.007  1.00 22.52 ?  130 ARG   A HH11 1 
ATOM   2125 H  HH12 . ARG   A 1 130 ? 61.394 -0.274  -3.081  1.00 22.87 ?  130 ARG   A HH12 1 
ATOM   2126 H  HH21 . ARG   A 1 130 ? 59.918 1.677   -5.296  1.00 23.96 ?  130 ARG   A HH21 1 
ATOM   2127 H  HH22 . ARG   A 1 130 ? 60.396 0.288   -5.066  1.00 22.92 ?  130 ARG   A HH22 1 
ATOM   2128 N  N    . THR   A 1 131 ? 60.532 3.458   3.698   1.00 12.10 ?  131 THR   A N    1 
ATOM   2129 C  CA   . THR   A 1 131 ? 61.143 3.927   4.935   1.00 13.79 ?  131 THR   A CA   1 
ATOM   2130 C  C    . THR   A 1 131 ? 62.652 4.121   4.797   1.00 14.28 ?  131 THR   A C    1 
ATOM   2131 O  O    . THR   A 1 131 ? 63.337 4.406   5.787   1.00 16.39 ?  131 THR   A O    1 
ATOM   2132 C  CB   . THR   A 1 131 ? 60.867 2.938   6.064   1.00 14.63 ?  131 THR   A CB   1 
ATOM   2133 O  OG1  . THR   A 1 131 ? 61.467 1.670   5.746   1.00 16.42 ?  131 THR   A OG1  1 
ATOM   2134 C  CG2  . THR   A 1 131 ? 59.371 2.762   6.267   1.00 14.51 ?  131 THR   A CG2  1 
ATOM   2135 H  H    . THR   A 1 131 ? 60.637 2.615   3.559   1.00 12.11 ?  131 THR   A H    1 
ATOM   2136 H  HA   . THR   A 1 131 ? 60.757 4.786   5.191   1.00 13.39 ?  131 THR   A HA   1 
ATOM   2137 H  HB   . THR   A 1 131 ? 61.247 3.275   6.890   1.00 14.38 ?  131 THR   A HB   1 
ATOM   2138 H  HG1  . THR   A 1 131 ? 61.319 1.133   6.356   0.00 15.69 ?  131 THR   A HG1  1 
ATOM   2139 H  HG21 . THR   A 1 131 ? 58.956 3.617   6.403   1.00 14.58 ?  131 THR   A HG21 1 
ATOM   2140 H  HG22 . THR   A 1 131 ? 59.209 2.211   7.037   1.00 14.19 ?  131 THR   A HG22 1 
ATOM   2141 H  HG23 . THR   A 1 131 ? 58.978 2.342   5.498   1.00 14.72 ?  131 THR   A HG23 1 
ATOM   2142 N  N    . GLY   A 1 132 ? 63.140 4.026   3.570   1.00 13.44 ?  132 GLY   A N    1 
ATOM   2143 C  CA   . GLY   A 1 132 ? 64.538 4.298   3.262   1.00 14.75 ?  132 GLY   A CA   1 
ATOM   2144 C  C    . GLY   A 1 132 ? 64.718 4.190   1.776   1.00 14.42 ?  132 GLY   A C    1 
ATOM   2145 O  O    . GLY   A 1 132 ? 63.842 3.680   1.059   1.00 15.03 ?  132 GLY   A O    1 
ATOM   2146 H  H    . GLY   A 1 132 ? 62.680 3.798   2.881   1.00 13.29 ?  132 GLY   A H    1 
ATOM   2147 H  HA2  . GLY   A 1 132 ? 64.779 5.193   3.550   1.00 14.61 ?  132 GLY   A HA2  1 
ATOM   2148 H  HA3  . GLY   A 1 132 ? 65.113 3.653   3.703   1.00 15.05 ?  132 GLY   A HA3  1 
ATOM   2149 N  N    . VAL   A 1 133 ? 65.857 4.656   1.283   1.00 15.11 ?  133 VAL   A N    1 
ATOM   2150 C  CA   . VAL   A 1 133 ? 66.138 4.574   -0.130  1.00 18.24 ?  133 VAL   A CA   1 
ATOM   2151 C  C    . VAL   A 1 133 ? 66.069 3.135   -0.619  1.00 21.29 ?  133 VAL   A C    1 
ATOM   2152 O  O    . VAL   A 1 133 ? 65.463 2.865   -1.643  1.00 28.62 ?  133 VAL   A O    1 
ATOM   2153 C  CB   . VAL   A 1 133 ? 67.498 5.209   -0.465  1.00 19.65 ?  133 VAL   A CB   1 
ATOM   2154 C  CG1  . VAL   A 1 133 ? 67.877 4.949   -1.910  1.00 21.81 ?  133 VAL   A CG1  1 
ATOM   2155 C  CG2  . VAL   A 1 133 ? 67.439 6.698   -0.196  1.00 21.09 ?  133 VAL   A CG2  1 
ATOM   2156 H  H    . VAL   A 1 133 ? 66.479 5.012   1.758   1.00 16.24 ?  133 VAL   A H    1 
ATOM   2157 H  HA   . VAL   A 1 133 ? 65.454 5.081   -0.612  1.00 18.09 ?  133 VAL   A HA   1 
ATOM   2158 H  HB   . VAL   A 1 133 ? 68.189 4.819   0.110   1.00 20.03 ?  133 VAL   A HB   1 
ATOM   2159 H  HG11 . VAL   A 1 133 ? 68.138 4.030   -2.014  1.00 21.24 ?  133 VAL   A HG11 1 
ATOM   2160 H  HG12 . VAL   A 1 133 ? 68.615 5.519   -2.145  1.00 20.14 ?  133 VAL   A HG12 1 
ATOM   2161 H  HG13 . VAL   A 1 133 ? 67.122 5.144   -2.472  1.00 20.97 ?  133 VAL   A HG13 1 
ATOM   2162 H  HG21 . VAL   A 1 133 ? 66.725 7.080   -0.713  1.00 20.14 ?  133 VAL   A HG21 1 
ATOM   2163 H  HG22 . VAL   A 1 133 ? 68.275 7.094   -0.452  1.00 20.70 ?  133 VAL   A HG22 1 
ATOM   2164 H  HG23 . VAL   A 1 133 ? 67.283 6.850   0.738   1.00 20.10 ?  133 VAL   A HG23 1 
ATOM   2165 N  N    . LEU   A 1 134 ? 66.648 2.208   0.121   1.00 22.95 ?  134 LEU   A N    1 
ATOM   2166 C  CA   . LEU   A 1 134 ? 66.698 0.828   -0.362  1.00 26.01 ?  134 LEU   A CA   1 
ATOM   2167 C  C    . LEU   A 1 134 ? 65.662 -0.056  0.327   1.00 26.04 ?  134 LEU   A C    1 
ATOM   2168 O  O    . LEU   A 1 134 ? 65.823 -1.273  0.393   1.00 28.68 ?  134 LEU   A O    1 
ATOM   2169 C  CB   . LEU   A 1 134 ? 68.115 0.264   -0.214  1.00 29.81 ?  134 LEU   A CB   1 
ATOM   2170 C  CG   . LEU   A 1 134 ? 69.175 0.857   -1.161  1.00 31.70 ?  134 LEU   A CG   1 
ATOM   2171 C  CD1  . LEU   A 1 134 ? 70.577 0.447   -0.728  1.00 31.65 ?  134 LEU   A CD1  1 
ATOM   2172 C  CD2  . LEU   A 1 134 ? 68.936 0.478   -2.619  1.00 33.21 ?  134 LEU   A CD2  1 
ATOM   2173 H  H    . LEU   A 1 134 ? 67.015 2.337   0.888   1.00 23.52 ?  134 LEU   A H    1 
ATOM   2174 H  HA   . LEU   A 1 134 ? 66.486 0.808   -1.317  1.00 25.71 ?  134 LEU   A HA   1 
ATOM   2175 H  HB2  . LEU   A 1 134 ? 68.415 0.423   0.695   1.00 28.84 ?  134 LEU   A HB2  1 
ATOM   2176 H  HB3  . LEU   A 1 134 ? 68.092 -0.691  -0.384  1.00 28.88 ?  134 LEU   A HB3  1 
ATOM   2177 H  HG   . LEU   A 1 134 ? 69.127 1.824   -1.104  1.00 30.88 ?  134 LEU   A HG   1 
ATOM   2178 H  HD11 . LEU   A 1 134 ? 70.730 0.756   0.168   1.00 30.79 ?  134 LEU   A HD11 1 
ATOM   2179 H  HD12 . LEU   A 1 134 ? 71.217 0.843   -1.325  1.00 30.95 ?  134 LEU   A HD12 1 
ATOM   2180 H  HD13 . LEU   A 1 134 ? 70.647 -0.510  -0.761  1.00 30.57 ?  134 LEU   A HD13 1 
ATOM   2181 H  HD21 . LEU   A 1 134 ? 68.869 -0.478  -2.686  1.00 31.88 ?  134 LEU   A HD21 1 
ATOM   2182 H  HD22 . LEU   A 1 134 ? 69.673 0.792   -3.147  1.00 30.86 ?  134 LEU   A HD22 1 
ATOM   2183 H  HD23 . LEU   A 1 134 ? 68.121 0.886   -2.922  1.00 32.05 ?  134 LEU   A HD23 1 
ATOM   2184 N  N    . LYS   A 1 135 ? 64.567 0.554   0.785   1.00 20.01 ?  135 LYS   A N    1 
ATOM   2185 C  CA   . LYS   A 1 135 ? 63.555 -0.168  1.540   1.00 18.83 ?  135 LYS   A CA   1 
ATOM   2186 C  C    . LYS   A 1 135 ? 62.172 -0.139  0.878   1.00 15.32 ?  135 LYS   A C    1 
ATOM   2187 O  O    . LYS   A 1 135 ? 61.806 0.830   0.181   1.00 17.17 ?  135 LYS   A O    1 
ATOM   2188 C  CB   . LYS   A 1 135 ? 63.485 0.380   2.958   1.00 21.45 ?  135 LYS   A CB   1 
ATOM   2189 C  CG   . LYS   A 1 135 ? 64.822 0.289   3.687   1.00 26.88 ?  135 LYS   A CG   1 
ATOM   2190 C  CD   . LYS   A 1 135 ? 64.659 0.354   5.195   1.00 32.98 ?  135 LYS   A CD   1 
ATOM   2191 C  CE   . LYS   A 1 135 ? 65.915 -0.095  5.934   1.00 36.76 ?  135 LYS   A CE   1 
ATOM   2192 N  NZ   . LYS   A 1 135 ? 66.161 -1.566  5.821   1.00 39.35 ?  135 LYS   A NZ   1 
ATOM   2193 H  H    . LYS   A 1 135 ? 64.378 1.384   0.670   1.00 20.71 ?  135 LYS   A H    1 
ATOM   2194 H  HA   . LYS   A 1 135 ? 63.828 -1.104  1.613   1.00 19.12 ?  135 LYS   A HA   1 
ATOM   2195 H  HB2  . LYS   A 1 135 ? 63.227 1.314   2.923   1.00 21.67 ?  135 LYS   A HB2  1 
ATOM   2196 H  HB3  . LYS   A 1 135 ? 62.827 -0.127  3.460   1.00 21.71 ?  135 LYS   A HB3  1 
ATOM   2197 H  HG2  . LYS   A 1 135 ? 65.247 -0.552  3.460   1.00 26.78 ?  135 LYS   A HG2  1 
ATOM   2198 H  HG3  . LYS   A 1 135 ? 65.384 1.030   3.412   1.00 26.84 ?  135 LYS   A HG3  1 
ATOM   2199 H  HD2  . LYS   A 1 135 ? 64.472 1.271   5.450   1.00 31.97 ?  135 LYS   A HD2  1 
ATOM   2200 H  HD3  . LYS   A 1 135 ? 63.929 -0.225  5.464   1.00 31.60 ?  135 LYS   A HD3  1 
ATOM   2201 H  HE2  . LYS   A 1 135 ? 66.682 0.367   5.562   1.00 37.33 ?  135 LYS   A HE2  1 
ATOM   2202 H  HE3  . LYS   A 1 135 ? 65.821 0.121   6.875   1.00 36.11 ?  135 LYS   A HE3  1 
ATOM   2203 H  HZ1  . LYS   A 1 135 ? 65.370 -2.051  6.070   1.00 38.21 ?  135 LYS   A HZ1  1 
ATOM   2204 H  HZ2  . LYS   A 1 135 ? 66.879 -1.822  6.405   1.00 37.58 ?  135 LYS   A HZ2  1 
ATOM   2205 H  HZ3  . LYS   A 1 135 ? 66.398 -1.796  4.920   1.00 36.54 ?  135 LYS   A HZ3  1 
ATOM   2206 N  N    . PRO   A 1 136 ? 61.385 -1.207  1.089   1.00 15.39 ?  136 PRO   A N    1 
ATOM   2207 C  CA   . PRO   A 1 136 ? 60.024 -1.227  0.576   1.00 15.00 ?  136 PRO   A CA   1 
ATOM   2208 C  C    . PRO   A 1 136 ? 59.117 -0.286  1.355   1.00 13.58 ?  136 PRO   A C    1 
ATOM   2209 O  O    . PRO   A 1 136 ? 59.467 0.202   2.434   1.00 13.38 ?  136 PRO   A O    1 
ATOM   2210 C  CB   . PRO   A 1 136 ? 59.575 -2.670  0.812   1.00 17.50 ?  136 PRO   A CB   1 
ATOM   2211 C  CG   . PRO   A 1 136 ? 60.390 -3.121  1.968   1.00 19.12 ?  136 PRO   A CG   1 
ATOM   2212 C  CD   . PRO   A 1 136 ? 61.712 -2.428  1.851   1.00 17.26 ?  136 PRO   A CD   1 
ATOM   2213 H  HA   . PRO   A 1 136 ? 60.004 -1.021  -0.380  1.00 15.25 ?  136 PRO   A HA   1 
ATOM   2214 H  HB2  . PRO   A 1 136 ? 58.629 -2.698  1.024   1.00 17.05 ?  136 PRO   A HB2  1 
ATOM   2215 H  HB3  . PRO   A 1 136 ? 59.767 -3.205  0.026   1.00 16.92 ?  136 PRO   A HB3  1 
ATOM   2216 H  HG2  . PRO   A 1 136 ? 59.947 -2.869  2.793   1.00 18.66 ?  136 PRO   A HG2  1 
ATOM   2217 H  HG3  . PRO   A 1 136 ? 60.507 -4.083  1.925   1.00 18.35 ?  136 PRO   A HG3  1 
ATOM   2218 H  HD2  . PRO   A 1 136 ? 62.049 -2.204  2.733   1.00 17.40 ?  136 PRO   A HD2  1 
ATOM   2219 H  HD3  . PRO   A 1 136 ? 62.341 -2.978  1.358   1.00 17.15 ?  136 PRO   A HD3  1 
ATOM   2220 N  N    . GLY   A 1 137 ? 57.943 -0.047  0.797   1.00 13.63 ?  137 GLY   A N    1 
ATOM   2221 C  CA   . GLY   A 1 137 ? 56.918 0.678   1.502   1.00 12.40 ?  137 GLY   A CA   1 
ATOM   2222 C  C    . GLY   A 1 137 ? 56.579 -0.002  2.807   1.00 11.61 ?  137 GLY   A C    1 
ATOM   2223 O  O    . GLY   A 1 137 ? 56.711 -1.220  2.968   1.00 13.14 ?  137 GLY   A O    1 
ATOM   2224 H  H    . GLY   A 1 137 ? 57.703 -0.315  0.023   1.00 13.61 ?  137 GLY   A H    1 
ATOM   2225 H  HA2  . GLY   A 1 137 ? 57.226 1.577   1.684   1.00 12.05 ?  137 GLY   A HA2  1 
ATOM   2226 H  HA3  . GLY   A 1 137 ? 56.118 0.727   0.958   1.00 12.62 ?  137 GLY   A HA3  1 
ATOM   2227 N  N    . SER   A 1 138 ? 56.184 0.805   3.761   1.00 11.37 ?  138 SER   A N    1 
ATOM   2228 C  CA   . SER   A 1 138 ? 55.798 0.315   5.082   1.00 11.14 ?  138 SER   A CA   1 
ATOM   2229 C  C    . SER   A 1 138 ? 54.456 -0.404  5.014   1.00 11.59 ?  138 SER   A C    1 
ATOM   2230 O  O    . SER   A 1 138 ? 53.508 0.121   4.434   1.00 12.03 ?  138 SER   A O    1 
ATOM   2231 C  CB   . SER   A 1 138 ? 55.670 1.482   6.048   1.00 11.69 ?  138 SER   A CB   1 
ATOM   2232 O  OG   . SER   A 1 138 ? 55.329 1.032   7.331   1.00 12.14 ?  138 SER   A OG   1 
ATOM   2233 H  H    . SER   A 1 138 ? 56.123 1.659   3.677   1.00 11.44 ?  138 SER   A H    1 
ATOM   2234 H  HA   . SER   A 1 138 ? 56.478 -0.302  5.423   1.00 11.55 ?  138 SER   A HA   1 
ATOM   2235 H  HB2  . SER   A 1 138 ? 56.519 1.948   6.093   1.00 11.68 ?  138 SER   A HB2  1 
ATOM   2236 H  HB3  . SER   A 1 138 ? 54.978 2.082   5.729   1.00 11.53 ?  138 SER   A HB3  1 
ATOM   2237 H  HG   . SER   A 1 138 ? 55.266 1.676   7.844   0.00 12.20 ?  138 SER   A HG   1 
ATOM   2238 N  N    . ASP   A 1 139 ? 54.346 -1.553  5.675   1.00 10.83 ?  139 ASP   A N    1 
ATOM   2239 C  CA   . ASP   A 1 139 ? 53.048 -2.224  5.799   1.00 10.79 ?  139 ASP   A CA   1 
ATOM   2240 C  C    . ASP   A 1 139 ? 52.075 -1.409  6.642   1.00 10.85 ?  139 ASP   A C    1 
ATOM   2241 O  O    . ASP   A 1 139 ? 50.885 -1.437  6.402   1.00 11.34 ?  139 ASP   A O    1 
ATOM   2242 C  CB   . ASP   A 1 139 ? 53.194 -3.597  6.444   1.00 12.48 ?  139 ASP   A CB   1 
ATOM   2243 C  CG   . ASP   A 1 139 ? 53.894 -4.606  5.575   1.00 13.71 ?  139 ASP   A CG   1 
ATOM   2244 O  OD1  . ASP   A 1 139 ? 54.077 -4.388  4.365   1.00 13.63 ?  139 ASP   A OD1  1 
ATOM   2245 O  OD2  . ASP   A 1 139 ? 54.223 -5.671  6.145   1.00 16.46 ?  139 ASP   A OD2  1 
ATOM   2246 H  H    . ASP   A 1 139 ? 54.999 -1.960  6.058   1.00 11.03 ?  139 ASP   A H    1 
ATOM   2247 H  HA   . ASP   A 1 139 ? 52.653 -2.339  4.909   1.00 11.04 ?  139 ASP   A HA   1 
ATOM   2248 H  HB2  . ASP   A 1 139 ? 53.703 -3.507  7.265   1.00 12.52 ?  139 ASP   A HB2  1 
ATOM   2249 H  HB3  . ASP   A 1 139 ? 52.311 -3.947  6.643   1.00 12.25 ?  139 ASP   A HB3  1 
ATOM   2250 N  N    . THR   A 1 140 ? 52.604 -0.698  7.630   1.00 10.40 ?  140 THR   A N    1 
ATOM   2251 C  CA   . THR   A 1 140 ? 51.818 0.115   8.530   1.00 10.25 ?  140 THR   A CA   1 
ATOM   2252 C  C    . THR   A 1 140 ? 51.908 1.602   8.205   1.00 9.85  ?  140 THR   A C    1 
ATOM   2253 O  O    . THR   A 1 140 ? 52.929 2.102   7.735   1.00 10.19 ?  140 THR   A O    1 
ATOM   2254 C  CB   . THR   A 1 140 ? 52.260 -0.083  9.982   1.00 10.81 ?  140 THR   A CB   1 
ATOM   2255 O  OG1  . THR   A 1 140 ? 53.658 0.221   10.096  1.00 12.10 ?  140 THR   A OG1  1 
ATOM   2256 C  CG2  . THR   A 1 140 ? 51.969 -1.510  10.456  1.00 12.26 ?  140 THR   A CG2  1 
ATOM   2257 H  H    . THR   A 1 140 ? 53.445 -0.673  7.806   1.00 10.37 ?  140 THR   A H    1 
ATOM   2258 H  HA   . THR   A 1 140 ? 50.879 -0.152  8.477   1.00 10.22 ?  140 THR   A HA   1 
ATOM   2259 H  HB   . THR   A 1 140 ? 51.760 0.524   10.550  1.00 10.87 ?  140 THR   A HB   1 
ATOM   2260 H  HG1  . THR   A 1 140 ? 53.905 0.112   10.873  0.00 11.76 ?  140 THR   A HG1  1 
ATOM   2261 H  HG21 . THR   A 1 140 ? 51.031 -1.697  10.373  1.00 11.92 ?  140 THR   A HG21 1 
ATOM   2262 H  HG22 . THR   A 1 140 ? 52.227 -1.608  11.375  1.00 11.78 ?  140 THR   A HG22 1 
ATOM   2263 H  HG23 . THR   A 1 140 ? 52.461 -2.140  9.925   1.00 12.56 ?  140 THR   A HG23 1 
ATOM   2264 N  N    . LEU   A 1 141 ? 50.856 2.338   8.507   1.00 8.47  ?  141 LEU   A N    1 
ATOM   2265 C  CA   . LEU   A 1 141 ? 50.851 3.776   8.351   1.00 8.83  ?  141 LEU   A CA   1 
ATOM   2266 C  C    . LEU   A 1 141 ? 51.912 4.356   9.286   1.00 8.77  ?  141 LEU   A C    1 
ATOM   2267 O  O    . LEU   A 1 141 ? 51.929 4.040   10.480  1.00 9.83  ?  141 LEU   A O    1 
ATOM   2268 C  CB   . LEU   A 1 141 ? 49.487 4.365   8.674   1.00 8.79  ?  141 LEU   A CB   1 
ATOM   2269 C  CG   . LEU   A 1 141 ? 49.349 5.857   8.470   1.00 8.57  ?  141 LEU   A CG   1 
ATOM   2270 C  CD1  . LEU   A 1 141 ? 49.481 6.276   7.010   1.00 8.56  ?  141 LEU   A CD1  1 
ATOM   2271 C  CD2  . LEU   A 1 141 ? 48.042 6.352   9.048   1.00 9.37  ?  141 LEU   A CD2  1 
ATOM   2272 H  H    . LEU   A 1 141 ? 50.117 2.019   8.812   1.00 8.83  ?  141 LEU   A H    1 
ATOM   2273 H  HA   . LEU   A 1 141 ? 51.080 3.999   7.425   1.00 8.87  ?  141 LEU   A HA   1 
ATOM   2274 H  HB2  . LEU   A 1 141 ? 48.827 3.933   8.110   1.00 8.55  ?  141 LEU   A HB2  1 
ATOM   2275 H  HB3  . LEU   A 1 141 ? 49.288 4.178   9.605   1.00 8.77  ?  141 LEU   A HB3  1 
ATOM   2276 H  HG   . LEU   A 1 141 ? 50.057 6.305   8.959   1.00 8.26  ?  141 LEU   A HG   1 
ATOM   2277 H  HD11 . LEU   A 1 141 ? 50.370 6.083   6.707   1.00 8.65  ?  141 LEU   A HD11 1 
ATOM   2278 H  HD12 . LEU   A 1 141 ? 49.309 7.218   6.939   1.00 8.56  ?  141 LEU   A HD12 1 
ATOM   2279 H  HD13 . LEU   A 1 141 ? 48.842 5.786   6.487   1.00 8.67  ?  141 LEU   A HD13 1 
ATOM   2280 H  HD21 . LEU   A 1 141 ? 47.316 5.902   8.608   1.00 9.04  ?  141 LEU   A HD21 1 
ATOM   2281 H  HD22 . LEU   A 1 141 ? 47.976 7.299   8.906   1.00 9.15  ?  141 LEU   A HD22 1 
ATOM   2282 H  HD23 . LEU   A 1 141 ? 48.024 6.160   9.989   1.00 9.11  ?  141 LEU   A HD23 1 
ATOM   2283 N  N    . GLN   A 1 142 ? 52.789 5.189   8.727   1.00 8.26  ?  142 GLN   A N    1 
ATOM   2284 C  CA   . GLN   A 1 142 ? 53.873 5.856   9.452   1.00 8.54  ?  142 GLN   A CA   1 
ATOM   2285 C  C    . GLN   A 1 142 ? 53.615 7.351   9.409   1.00 8.53  ?  142 GLN   A C    1 
ATOM   2286 O  O    . GLN   A 1 142 ? 52.917 7.865   8.521   1.00 9.25  ?  142 GLN   A O    1 
ATOM   2287 C  CB   . GLN   A 1 142 ? 55.197 5.568   8.781   1.00 9.47  ?  142 GLN   A CB   1 
ATOM   2288 C  CG   . GLN   A 1 142 ? 55.570 4.114   8.714   1.00 10.34 ?  142 GLN   A CG   1 
ATOM   2289 C  CD   . GLN   A 1 142 ? 56.177 3.608   9.988   1.00 11.30 ?  142 GLN   A CD   1 
ATOM   2290 O  OE1  . GLN   A 1 142 ? 57.167 4.170   10.482  1.00 12.92 ?  142 GLN   A OE1  1 
ATOM   2291 N  NE2  . GLN   A 1 142 ? 55.615 2.552   10.525  1.00 11.88 ?  142 GLN   A NE2  1 
ATOM   2292 H  H    . GLN   A 1 142 ? 52.779 5.393   7.892   1.00 8.59  ?  142 GLN   A H    1 
ATOM   2293 H  HA   . GLN   A 1 142 ? 53.910 5.557   10.383  1.00 8.50  ?  142 GLN   A HA   1 
ATOM   2294 H  HB2  . GLN   A 1 142 ? 55.150 5.893   7.869   1.00 9.53  ?  142 GLN   A HB2  1 
ATOM   2295 H  HB3  . GLN   A 1 142 ? 55.898 6.041   9.256   1.00 8.94  ?  142 GLN   A HB3  1 
ATOM   2296 H  HG2  . GLN   A 1 142 ? 54.779 3.592   8.517   1.00 10.27 ?  142 GLN   A HG2  1 
ATOM   2297 H  HG3  . GLN   A 1 142 ? 56.224 3.993   8.008   1.00 10.15 ?  142 GLN   A HG3  1 
ATOM   2298 H  HE21 . GLN   A 1 142 ? 55.921 2.236   11.264  1.00 11.09 ?  142 GLN   A HE21 1 
ATOM   2299 H  HE22 . GLN   A 1 142 ? 54.943 2.171   10.146  1.00 11.33 ?  142 GLN   A HE22 1 
ATOM   2300 N  N    . GLU   A 1 143 ? 54.199 8.080   10.356  1.00 9.11  ?  143 GLU   A N    1 
ATOM   2301 C  CA   . GLU   A 1 143 ? 54.106 9.514   10.342  1.00 9.96  ?  143 GLU   A CA   1 
ATOM   2302 C  C    . GLU   A 1 143 ? 55.385 10.124  10.901  1.00 9.81  ?  143 GLU   A C    1 
ATOM   2303 O  O    . GLU   A 1 143 ? 56.142 9.466   11.608  1.00 10.45 ?  143 GLU   A O    1 
ATOM   2304 C  CB   . GLU   A 1 143 ? 52.900 10.000  11.114  1.00 9.96  ?  143 GLU   A CB   1 
ATOM   2305 C  CG   . GLU   A 1 143 ? 52.878 9.628   12.575  1.00 10.55 ?  143 GLU   A CG   1 
ATOM   2306 C  CD   . GLU   A 1 143 ? 51.624 10.158  13.204  1.00 11.95 ?  143 GLU   A CD   1 
ATOM   2307 O  OE1  . GLU   A 1 143 ? 51.654 11.239  13.848  1.00 13.86 ?  143 GLU   A OE1  1 
ATOM   2308 O  OE2  . GLU   A 1 143 ? 50.557 9.550   12.945  1.00 11.75 ?  143 GLU   A OE2  1 
ATOM   2309 H  H    . GLU   A 1 143 ? 54.649 7.755   11.014  1.00 9.15  ?  143 GLU   A H    1 
ATOM   2310 H  HA   . GLU   A 1 143 ? 54.020 9.822   9.418   1.00 9.65  ?  143 GLU   A HA   1 
ATOM   2311 H  HB2  . GLU   A 1 143 ? 52.871 10.968  11.058  1.00 10.06 ?  143 GLU   A HB2  1 
ATOM   2312 H  HB3  . GLU   A 1 143 ? 52.104 9.627   10.704  1.00 9.88  ?  143 GLU   A HB3  1 
ATOM   2313 H  HG2  . GLU   A 1 143 ? 52.887 8.663   12.668  1.00 10.61 ?  143 GLU   A HG2  1 
ATOM   2314 H  HG3  . GLU   A 1 143 ? 53.637 10.023  13.032  1.00 10.57 ?  143 GLU   A HG3  1 
ATOM   2315 N  N    . VAL   A 1 144 ? 55.619 11.389  10.541  1.00 9.72  ?  144 VAL   A N    1 
ATOM   2316 C  CA   . VAL   A 1 144 ? 56.825 12.091  10.956  1.00 10.15 ?  144 VAL   A CA   1 
ATOM   2317 C  C    . VAL   A 1 144 ? 56.535 13.575  11.077  1.00 10.43 ?  144 VAL   A C    1 
ATOM   2318 O  O    . VAL   A 1 144 ? 55.718 14.142  10.349  1.00 10.62 ?  144 VAL   A O    1 
ATOM   2319 C  CB   . VAL   A 1 144 ? 57.992 11.774  9.979   1.00 11.01 ?  144 VAL   A CB   1 
ATOM   2320 C  CG1  . VAL   A 1 144 ? 57.766 12.394  8.596   1.00 11.69 ?  144 VAL   A CG1  1 
ATOM   2321 C  CG2  . VAL   A 1 144 ? 59.325 12.177  10.562  1.00 12.04 ?  144 VAL   A CG2  1 
ATOM   2322 H  H    . VAL   A 1 144 ? 55.088 11.858  10.052  1.00 9.82  ?  144 VAL   A H    1 
ATOM   2323 H  HA   . VAL   A 1 144 ? 57.090 11.770  11.843  1.00 10.18 ?  144 VAL   A HA   1 
ATOM   2324 H  HB   . VAL   A 1 144 ? 58.022 10.803  9.852   1.00 11.02 ?  144 VAL   A HB   1 
ATOM   2325 H  HG11 . VAL   A 1 144 ? 56.902 12.131  8.271   1.00 11.47 ?  144 VAL   A HG11 1 
ATOM   2326 H  HG12 . VAL   A 1 144 ? 58.449 12.076  8.000   1.00 11.75 ?  144 VAL   A HG12 1 
ATOM   2327 H  HG13 . VAL   A 1 144 ? 57.815 13.350  8.663   1.00 11.57 ?  144 VAL   A HG13 1 
ATOM   2328 H  HG21 . VAL   A 1 144 ? 59.356 13.133  10.648  1.00 11.84 ?  144 VAL   A HG21 1 
ATOM   2329 H  HG22 . VAL   A 1 144 ? 60.023 11.878  9.973   1.00 12.31 ?  144 VAL   A HG22 1 
ATOM   2330 H  HG23 . VAL   A 1 144 ? 59.427 11.766  11.423  1.00 11.70 ?  144 VAL   A HG23 1 
ATOM   2331 N  N    . LYS   A 1 145 ? 57.196 14.200  12.051  1.00 10.89 ?  145 LYS   A N    1 
ATOM   2332 C  CA   . LYS   A 1 145 ? 57.099 15.629  12.270  1.00 11.96 ?  145 LYS   A CA   1 
ATOM   2333 C  C    . LYS   A 1 145 ? 58.249 16.302  11.515  1.00 11.94 ?  145 LYS   A C    1 
ATOM   2334 O  O    . LYS   A 1 145 ? 59.401 15.897  11.678  1.00 13.23 ?  145 LYS   A O    1 
ATOM   2335 C  CB   . LYS   A 1 145 ? 57.210 15.937  13.765  1.00 14.59 ?  145 LYS   A CB   1 
ATOM   2336 C  CG   . LYS   A 1 145 ? 56.843 17.364  14.128  1.00 17.48 ?  145 LYS   A CG   1 
ATOM   2337 C  CD   . LYS   A 1 145 ? 56.825 17.576  15.639  1.00 22.71 ?  145 LYS   A CD   1 
ATOM   2338 C  CE   . LYS   A 1 145 ? 58.229 17.563  16.231  1.00 26.99 ?  145 LYS   A CE   1 
ATOM   2339 N  NZ   . LYS   A 1 145 ? 58.218 17.708  17.719  1.00 31.22 ?  145 LYS   A NZ   1 
ATOM   2340 H  H    . LYS   A 1 145 ? 57.722 13.804  12.606  1.00 10.72 ?  145 LYS   A H    1 
ATOM   2341 H  HA   . LYS   A 1 145 ? 56.241 15.968  11.944  1.00 12.22 ?  145 LYS   A HA   1 
ATOM   2342 H  HB2  . LYS   A 1 145 ? 56.613 15.345  14.249  1.00 14.05 ?  145 LYS   A HB2  1 
ATOM   2343 H  HB3  . LYS   A 1 145 ? 58.125 15.779  14.045  1.00 14.85 ?  145 LYS   A HB3  1 
ATOM   2344 H  HG2  . LYS   A 1 145 ? 57.486 17.970  13.744  1.00 17.14 ?  145 LYS   A HG2  1 
ATOM   2345 H  HG3  . LYS   A 1 145 ? 55.956 17.559  13.787  1.00 17.44 ?  145 LYS   A HG3  1 
ATOM   2346 H  HD2  . LYS   A 1 145 ? 56.422 18.436  15.835  1.00 21.84 ?  145 LYS   A HD2  1 
ATOM   2347 H  HD3  . LYS   A 1 145 ? 56.314 16.865  16.056  1.00 21.85 ?  145 LYS   A HD3  1 
ATOM   2348 H  HE2  . LYS   A 1 145 ? 58.669 16.726  16.018  1.00 24.34 ?  145 LYS   A HE2  1 
ATOM   2349 H  HE3  . LYS   A 1 145 ? 58.730 18.307  15.869  1.00 25.84 ?  145 LYS   A HE3  1 
ATOM   2350 H  HZ1  . LYS   A 1 145 ? 57.790 18.531  17.966  1.00 29.74 ?  145 LYS   A HZ1  1 
ATOM   2351 H  HZ2  . LYS   A 1 145 ? 59.118 17.712  18.054  1.00 28.91 ?  145 LYS   A HZ2  1 
ATOM   2352 H  HZ3  . LYS   A 1 145 ? 57.741 16.976  18.117  1.00 30.44 ?  145 LYS   A HZ3  1 
ATOM   2353 N  N    . LEU   A 1 146 ? 57.915 17.274  10.676  1.00 11.18 ?  146 LEU   A N    1 
ATOM   2354 C  CA   . LEU   A 1 146 ? 58.887 17.923  9.806   1.00 11.33 ?  146 LEU   A CA   1 
ATOM   2355 C  C    . LEU   A 1 146 ? 58.797 19.419  9.943   1.00 11.69 ?  146 LEU   A C    1 
ATOM   2356 O  O    . LEU   A 1 146 ? 57.734 19.986  10.196  1.00 13.11 ?  146 LEU   A O    1 
ATOM   2357 C  CB   . LEU   A 1 146 ? 58.624 17.548  8.345   1.00 10.91 ?  146 LEU   A CB   1 
ATOM   2358 C  CG   . LEU   A 1 146 ? 58.716 16.079  7.995   1.00 11.79 ?  146 LEU   A CG   1 
ATOM   2359 C  CD1  . LEU   A 1 146 ? 58.297 15.838  6.558   1.00 11.57 ?  146 LEU   A CD1  1 
ATOM   2360 C  CD2  . LEU   A 1 146 ? 60.098 15.513  8.239   1.00 13.12 ?  146 LEU   A CD2  1 
ATOM   2361 H  H    . LEU   A 1 146 ? 57.116 17.582  10.588  1.00 11.82 ?  146 LEU   A H    1 
ATOM   2362 H  HA   . LEU   A 1 146 ? 59.796 17.647  10.042  1.00 11.71 ?  146 LEU   A HA   1 
ATOM   2363 H  HB2  . LEU   A 1 146 ? 57.729 17.842  8.113   1.00 11.33 ?  146 LEU   A HB2  1 
ATOM   2364 H  HB3  . LEU   A 1 146 ? 59.268 18.015  7.790   1.00 8.82  ?  146 LEU   A HB3  1 
ATOM   2365 H  HG   . LEU   A 1 146 ? 58.098 15.593  8.562   1.00 11.15 ?  146 LEU   A HG   1 
ATOM   2366 H  HD11 . LEU   A 1 146 ? 57.402 16.164  6.435   1.00 11.75 ?  146 LEU   A HD11 1 
ATOM   2367 H  HD12 . LEU   A 1 146 ? 58.331 14.896  6.376   1.00 11.64 ?  146 LEU   A HD12 1 
ATOM   2368 H  HD13 . LEU   A 1 146 ? 58.899 16.307  5.976   1.00 11.03 ?  146 LEU   A HD13 1 
ATOM   2369 H  HD21 . LEU   A 1 146 ? 60.742 16.052  7.773   1.00 12.36 ?  146 LEU   A HD21 1 
ATOM   2370 H  HD22 . LEU   A 1 146 ? 60.128 14.611  7.911   1.00 12.70 ?  146 LEU   A HD22 1 
ATOM   2371 H  HD23 . LEU   A 1 146 ? 60.282 15.522  9.180   1.00 12.79 ?  146 LEU   A HD23 1 
ATOM   2372 N  N    . ARG   A 1 147 ? 59.936 20.083  9.764   1.00 11.76 ?  147 ARG   A N    1 
ATOM   2373 C  CA   . ARG   A 1 147 ? 59.970 21.521  9.827   1.00 12.10 ?  147 ARG   A CA   1 
ATOM   2374 C  C    . ARG   A 1 147 ? 59.607 22.169  8.491   1.00 10.73 ?  147 ARG   A C    1 
ATOM   2375 O  O    . ARG   A 1 147 ? 60.161 21.803  7.447   1.00 11.36 ?  147 ARG   A O    1 
ATOM   2376 C  CB   . ARG   A 1 147 ? 61.372 21.967  10.223  1.00 14.30 ?  147 ARG   A CB   1 
ATOM   2377 C  CG   . ARG   A 1 147 ? 61.525 23.455  10.489  1.00 16.73 ?  147 ARG   A CG   1 
ATOM   2378 C  CD   . ARG   A 1 147 ? 62.940 23.719  10.959  1.00 20.41 ?  147 ARG   A CD   1 
ATOM   2379 N  NE   . ARG   A 1 147 ? 63.138 25.064  11.486  1.00 23.55 ?  147 ARG   A NE   1 
ATOM   2380 C  CZ   . ARG   A 1 147 ? 63.305 26.158  10.747  1.00 25.81 ?  147 ARG   A CZ   1 
ATOM   2381 N  NH1  . ARG   A 1 147 ? 63.280 26.095  9.421   1.00 24.35 ?  147 ARG   A NH1  1 
ATOM   2382 N  NH2  . ARG   A 1 147 ? 63.509 27.329  11.341  1.00 28.79 ?  147 ARG   A NH2  1 
ATOM   2383 H  H    . ARG   A 1 147 ? 60.696 19.716  9.601   1.00 12.12 ?  147 ARG   A H    1 
ATOM   2384 H  HA   . ARG   A 1 147 ? 59.348 21.843  10.512  1.00 12.15 ?  147 ARG   A HA   1 
ATOM   2385 H  HB2  . ARG   A 1 147 ? 61.623 21.495  11.033  1.00 14.57 ?  147 ARG   A HB2  1 
ATOM   2386 H  HB3  . ARG   A 1 147 ? 61.985 21.733  9.509   1.00 14.25 ?  147 ARG   A HB3  1 
ATOM   2387 H  HG2  . ARG   A 1 147 ? 61.372 23.957  9.674   1.00 16.86 ?  147 ARG   A HG2  1 
ATOM   2388 H  HG3  . ARG   A 1 147 ? 60.908 23.730  11.185  1.00 16.48 ?  147 ARG   A HG3  1 
ATOM   2389 H  HD2  . ARG   A 1 147 ? 63.148 23.100  11.676  1.00 19.71 ?  147 ARG   A HD2  1 
ATOM   2390 H  HD3  . ARG   A 1 147 ? 63.557 23.577  10.226  1.00 20.01 ?  147 ARG   A HD3  1 
ATOM   2391 H  HE   . ARG   A 1 147 ? 63.105 25.171  12.449  1.00 23.38 ?  147 ARG   A HE   1 
ATOM   2392 H  HH11 . ARG   A 1 147 ? 63.158 25.349  9.015   1.00 24.07 ?  147 ARG   A HH11 1 
ATOM   2393 H  HH12 . ARG   A 1 147 ? 63.387 26.812  8.958   1.00 24.21 ?  147 ARG   A HH12 1 
ATOM   2394 H  HH21 . ARG   A 1 147 ? 63.522 27.383  12.200  1.00 27.94 ?  147 ARG   A HH21 1 
ATOM   2395 H  HH22 . ARG   A 1 147 ? 63.606 28.042  10.870  1.00 28.41 ?  147 ARG   A HH22 1 
ATOM   2396 N  N    . LEU   A 1 148 ? 58.738 23.169  8.515   1.00 11.17 ?  148 LEU   A N    1 
ATOM   2397 C  CA   A LEU   A 1 148 ? 58.507 24.031  7.347   0.50 11.52 ?  148 LEU   A CA   1 
ATOM   2398 C  CA   B LEU   A 1 148 ? 58.487 24.014  7.375   0.50 11.66 ?  148 LEU   A CA   1 
ATOM   2399 C  C    . LEU   A 1 148 ? 59.692 24.948  7.191   1.00 11.96 ?  148 LEU   A C    1 
ATOM   2400 O  O    . LEU   A 1 148 ? 60.013 25.736  8.082   1.00 13.45 ?  148 LEU   A O    1 
ATOM   2401 C  CB   A LEU   A 1 148 ? 57.272 24.911  7.463   0.50 12.81 ?  148 LEU   A CB   1 
ATOM   2402 C  CB   B LEU   A 1 148 ? 57.207 24.796  7.620   0.50 13.87 ?  148 LEU   A CB   1 
ATOM   2403 C  CG   A LEU   A 1 148 ? 55.929 24.216  7.540   0.50 12.78 ?  148 LEU   A CG   1 
ATOM   2404 C  CG   B LEU   A 1 148 ? 56.536 25.440  6.427   0.50 14.17 ?  148 LEU   A CG   1 
ATOM   2405 C  CD1  A LEU   A 1 148 ? 54.796 25.227  7.490   0.50 13.88 ?  148 LEU   A CD1  1 
ATOM   2406 C  CD1  B LEU   A 1 148 ? 56.484 24.489  5.248   0.50 13.85 ?  148 LEU   A CD1  1 
ATOM   2407 C  CD2  A LEU   A 1 148 ? 55.786 23.210  6.419   0.50 12.89 ?  148 LEU   A CD2  1 
ATOM   2408 C  CD2  B LEU   A 1 148 ? 55.137 25.914  6.800   0.50 14.64 ?  148 LEU   A CD2  1 
ATOM   2409 H  H    . LEU   A 1 148 ? 58.270 23.374  9.208   1.00 11.09 ?  148 LEU   A H    1 
ATOM   2410 H  HA   A LEU   A 1 148 ? 58.413 23.479  6.543   0.50 11.45 ?  148 LEU   A HA   1 
ATOM   2411 H  HA   B LEU   A 1 148 ? 58.370 23.469  6.569   0.50 11.61 ?  148 LEU   A HA   1 
ATOM   2412 H  HB2  A LEU   A 1 148 ? 57.357 25.447  8.267   0.50 12.52 ?  148 LEU   A HB2  1 
ATOM   2413 H  HB2  B LEU   A 1 148 ? 56.554 24.192  8.007   0.50 13.93 ?  148 LEU   A HB2  1 
ATOM   2414 H  HB3  A LEU   A 1 148 ? 57.243 25.497  6.690   0.50 13.05 ?  148 LEU   A HB3  1 
ATOM   2415 H  HB3  B LEU   A 1 148 ? 57.397 25.504  8.256   0.50 13.35 ?  148 LEU   A HB3  1 
ATOM   2416 H  HG   A LEU   A 1 148 ? 55.874 23.739  8.380   0.50 13.11 ?  148 LEU   A HG   1 
ATOM   2417 H  HG   B LEU   A 1 148 ? 57.051 26.214  6.156   0.50 14.01 ?  148 LEU   A HG   1 
ATOM   2418 H  HD11 A LEU   A 1 148 ? 54.936 25.886  8.173   0.50 13.87 ?  148 LEU   A HD11 1 
ATOM   2419 H  HD11 B LEU   A 1 148 ? 57.366 24.142  5.091   0.50 13.59 ?  148 LEU   A HD11 1 
ATOM   2420 H  HD12 A LEU   A 1 148 ? 53.963 24.771  7.638   0.50 13.48 ?  148 LEU   A HD12 1 
ATOM   2421 H  HD12 B LEU   A 1 148 ? 56.180 24.968  4.475   0.50 13.83 ?  148 LEU   A HD12 1 
ATOM   2422 H  HD13 A LEU   A 1 148 ? 54.791 25.647  6.626   0.50 13.62 ?  148 LEU   A HD13 1 
ATOM   2423 H  HD13 B LEU   A 1 148 ? 55.881 23.769  5.450   0.50 13.74 ?  148 LEU   A HD13 1 
ATOM   2424 H  HD21 A LEU   A 1 148 ? 55.919 23.656  5.579   0.50 13.00 ?  148 LEU   A HD21 1 
ATOM   2425 H  HD21 B LEU   A 1 148 ? 54.578 25.147  6.946   0.50 14.56 ?  148 LEU   A HD21 1 
ATOM   2426 H  HD22 A LEU   A 1 148 ? 54.905 22.832  6.453   0.50 12.74 ?  148 LEU   A HD22 1 
ATOM   2427 H  HD22 B LEU   A 1 148 ? 54.785 26.445  6.080   0.50 14.19 ?  148 LEU   A HD22 1 
ATOM   2428 H  HD23 A LEU   A 1 148 ? 56.445 22.520  6.532   0.50 13.22 ?  148 LEU   A HD23 1 
ATOM   2429 H  HD23 B LEU   A 1 148 ? 55.188 26.438  7.602   0.50 14.55 ?  148 LEU   A HD23 1 
ATOM   2430 N  N    . MET   A 1 149 ? 60.338 24.867  6.042   1.00 11.12 ?  149 MET   A N    1 
ATOM   2431 C  CA   . MET   A 1 149 ? 61.558 25.597  5.780   1.00 11.49 ?  149 MET   A CA   1 
ATOM   2432 C  C    . MET   A 1 149 ? 61.338 26.862  4.968   1.00 10.93 ?  149 MET   A C    1 
ATOM   2433 O  O    . MET   A 1 149 ? 60.391 26.992  4.207   1.00 12.59 ?  149 MET   A O    1 
ATOM   2434 C  CB   . MET   A 1 149 ? 62.494 24.700  4.984   1.00 11.66 ?  149 MET   A CB   1 
ATOM   2435 C  CG   . MET   A 1 149 ? 62.860 23.372  5.635   1.00 12.62 ?  149 MET   A CG   1 
ATOM   2436 S  SD   . MET   A 1 149 ? 63.595 23.492  7.255   1.00 14.32 ?  149 MET   A SD   1 
ATOM   2437 C  CE   . MET   A 1 149 ? 65.154 24.246  6.846   1.00 15.21 ?  149 MET   A CE   1 
ATOM   2438 H  H    . MET   A 1 149 ? 60.081 24.386  5.377   1.00 10.99 ?  149 MET   A H    1 
ATOM   2439 H  HA   . MET   A 1 149 ? 62.000 25.830  6.622   1.00 11.55 ?  149 MET   A HA   1 
ATOM   2440 H  HB2  . MET   A 1 149 ? 62.069 24.499  4.136   1.00 11.63 ?  149 MET   A HB2  1 
ATOM   2441 H  HB3  . MET   A 1 149 ? 63.320 25.182  4.823   1.00 11.60 ?  149 MET   A HB3  1 
ATOM   2442 H  HG2  . MET   A 1 149 ? 62.057 22.835  5.718   1.00 12.30 ?  149 MET   A HG2  1 
ATOM   2443 H  HG3  . MET   A 1 149 ? 63.496 22.916  5.062   1.00 12.71 ?  149 MET   A HG3  1 
ATOM   2444 H  HE1  . MET   A 1 149 ? 65.602 23.701  6.195   1.00 15.09 ?  149 MET   A HE1  1 
ATOM   2445 H  HE2  . MET   A 1 149 ? 65.687 24.311  7.639   1.00 14.78 ?  149 MET   A HE2  1 
ATOM   2446 H  HE3  . MET   A 1 149 ? 64.993 25.122  6.486   1.00 14.91 ?  149 MET   A HE3  1 
ATOM   2447 N  N    . ASP   A 1 150 ? 62.239 27.821  5.150   1.00 12.01 ?  150 ASP   A N    1 
ATOM   2448 C  CA   . ASP   A 1 150 ? 62.299 28.965  4.252   1.00 12.74 ?  150 ASP   A CA   1 
ATOM   2449 C  C    . ASP   A 1 150 ? 62.488 28.461  2.821   1.00 11.96 ?  150 ASP   A C    1 
ATOM   2450 O  O    . ASP   A 1 150 ? 63.153 27.455  2.604   1.00 12.29 ?  150 ASP   A O    1 
ATOM   2451 C  CB   . ASP   A 1 150 ? 63.458 29.891  4.635   1.00 15.54 ?  150 ASP   A CB   1 
ATOM   2452 C  CG   . ASP   A 1 150 ? 63.237 30.595  5.957   1.00 18.25 ?  150 ASP   A CG   1 
ATOM   2453 O  OD1  . ASP   A 1 150 ? 64.182 30.629  6.761   1.00 28.85 ?  150 ASP   A OD1  1 
ATOM   2454 O  OD2  . ASP   A 1 150 ? 62.141 31.131  6.158   1.00 24.14 ?  150 ASP   A OD2  1 
ATOM   2455 H  H    . ASP   A 1 150 ? 62.823 27.827  5.781   1.00 12.16 ?  150 ASP   A H    1 
ATOM   2456 H  HA   . ASP   A 1 150 ? 61.461 29.463  4.309   1.00 13.46 ?  150 ASP   A HA   1 
ATOM   2457 H  HB2  . ASP   A 1 150 ? 64.274 29.372  4.697   1.00 16.15 ?  150 ASP   A HB2  1 
ATOM   2458 H  HB3  . ASP   A 1 150 ? 63.547 30.573  3.953   1.00 16.05 ?  150 ASP   A HB3  1 
ATOM   2459 N  N    . PRO   A 1 151 ? 61.914 29.170  1.854   1.00 11.80 ?  151 PRO   A N    1 
ATOM   2460 C  CA   . PRO   A 1 151 ? 61.938 28.650  0.481   1.00 11.13 ?  151 PRO   A CA   1 
ATOM   2461 C  C    . PRO   A 1 151 ? 63.339 28.493  -0.075  1.00 10.87 ?  151 PRO   A C    1 
ATOM   2462 O  O    . PRO   A 1 151 ? 63.585 27.633  -0.926  1.00 11.37 ?  151 PRO   A O    1 
ATOM   2463 C  CB   . PRO   A 1 151 ? 61.106 29.662  -0.307  1.00 12.02 ?  151 PRO   A CB   1 
ATOM   2464 C  CG   . PRO   A 1 151 ? 61.099 30.888  0.565   1.00 11.87 ?  151 PRO   A CG   1 
ATOM   2465 C  CD   . PRO   A 1 151 ? 61.121 30.398  1.969   1.00 12.67 ?  151 PRO   A CD   1 
ATOM   2466 H  HA   . PRO   A 1 151 ? 61.487 27.780  0.449   1.00 10.97 ?  151 PRO   A HA   1 
ATOM   2467 H  HB2  . PRO   A 1 151 ? 61.527 29.850  -1.161  1.00 11.70 ?  151 PRO   A HB2  1 
ATOM   2468 H  HB3  . PRO   A 1 151 ? 60.209 29.320  -0.433  1.00 11.89 ?  151 PRO   A HB3  1 
ATOM   2469 H  HG2  . PRO   A 1 151 ? 61.888 31.421  0.381   1.00 11.89 ?  151 PRO   A HG2  1 
ATOM   2470 H  HG3  . PRO   A 1 151 ? 60.294 31.402  0.398   1.00 12.09 ?  151 PRO   A HG3  1 
ATOM   2471 H  HD2  . PRO   A 1 151 ? 61.563 31.043  2.543   1.00 12.16 ?  151 PRO   A HD2  1 
ATOM   2472 H  HD3  . PRO   A 1 151 ? 60.223 30.197  2.275   1.00 12.43 ?  151 PRO   A HD3  1 
ATOM   2473 N  N    . GLN   A 1 152 ? 64.292 29.293  0.397   1.00 11.37 ?  152 GLN   A N    1 
ATOM   2474 C  CA   . GLN   A 1 152 ? 65.664 29.115  -0.082  1.00 11.93 ?  152 GLN   A CA   1 
ATOM   2475 C  C    . GLN   A 1 152 ? 66.230 27.716  0.178   1.00 10.19 ?  152 GLN   A C    1 
ATOM   2476 O  O    . GLN   A 1 152 ? 67.105 27.271  -0.539  1.00 11.32 ?  152 GLN   A O    1 
ATOM   2477 C  CB   . GLN   A 1 152 ? 66.616 30.201  0.414   1.00 15.59 ?  152 GLN   A CB   1 
ATOM   2478 C  CG   . GLN   A 1 152 ? 66.621 30.368  1.901   1.00 17.06 ?  152 GLN   A CG   1 
ATOM   2479 C  CD   . GLN   A 1 152 ? 65.719 31.512  2.357   1.00 18.12 ?  152 GLN   A CD   1 
ATOM   2480 O  OE1  . GLN   A 1 152 ? 64.577 31.648  1.913   1.00 17.29 ?  152 GLN   A OE1  1 
ATOM   2481 N  NE2  . GLN   A 1 152 ? 66.237 32.345  3.247   1.00 21.07 ?  152 GLN   A NE2  1 
ATOM   2482 H  H    . GLN   A 1 152 ? 64.171 29.928  0.959   1.00 11.36 ?  152 GLN   A H    1 
ATOM   2483 H  HA   . GLN   A 1 152 ? 65.641 29.216  -1.056  1.00 11.90 ?  152 GLN   A HA   1 
ATOM   2484 H  HB2  . GLN   A 1 152 ? 67.518 29.970  0.145   1.00 14.76 ?  152 GLN   A HB2  1 
ATOM   2485 H  HB3  . GLN   A 1 152 ? 66.363 31.047  0.011   1.00 15.45 ?  152 GLN   A HB3  1 
ATOM   2486 H  HG2  . GLN   A 1 152 ? 66.303 29.554  2.321   1.00 16.31 ?  152 GLN   A HG2  1 
ATOM   2487 H  HG3  . GLN   A 1 152 ? 67.528 30.555  2.189   1.00 16.93 ?  152 GLN   A HG3  1 
ATOM   2488 H  HE21 . GLN   A 1 152 ? 65.787 33.032  3.502   1.00 19.95 ?  152 GLN   A HE21 1 
ATOM   2489 H  HE22 . GLN   A 1 152 ? 67.021 32.205  3.572   1.00 19.81 ?  152 GLN   A HE22 1 
ATOM   2490 N  N    . ALA   A 1 153 ? 65.690 27.019  1.187   1.00 9.70  ?  153 ALA   A N    1 
ATOM   2491 C  CA   . ALA   A 1 153 ? 66.148 25.669  1.472   1.00 9.70  ?  153 ALA   A CA   1 
ATOM   2492 C  C    . ALA   A 1 153 ? 65.834 24.685  0.326   1.00 8.76  ?  153 ALA   A C    1 
ATOM   2493 O  O    . ALA   A 1 153 ? 66.478 23.641  0.251   1.00 9.89  ?  153 ALA   A O    1 
ATOM   2494 C  CB   . ALA   A 1 153 ? 65.534 25.161  2.751   1.00 9.91  ?  153 ALA   A CB   1 
ATOM   2495 H  H    . ALA   A 1 153 ? 65.078 27.305  1.717   1.00 9.79  ?  153 ALA   A H    1 
ATOM   2496 H  HA   . ALA   A 1 153 ? 67.121 25.684  1.596   1.00 9.57  ?  153 ALA   A HA   1 
ATOM   2497 H  HB1  . ALA   A 1 153 ? 65.777 25.749  3.469   1.00 9.62  ?  153 ALA   A HB1  1 
ATOM   2498 H  HB2  . ALA   A 1 153 ? 65.864 24.276  2.926   1.00 9.92  ?  153 ALA   A HB2  1 
ATOM   2499 H  HB3  . ALA   A 1 153 ? 64.579 25.141  2.652   1.00 9.85  ?  153 ALA   A HB3  1 
ATOM   2500 N  N    . CYS   A 1 154 ? 64.891 25.042  -0.544  1.00 8.47  ?  154 CYS   A N    1 
ATOM   2501 C  CA   . CYS   A 1 154 ? 64.498 24.228  -1.696  1.00 8.17  ?  154 CYS   A CA   1 
ATOM   2502 C  C    . CYS   A 1 154 ? 64.951 24.825  -3.026  1.00 9.06  ?  154 CYS   A C    1 
ATOM   2503 O  O    . CYS   A 1 154 ? 64.513 24.362  -4.068  1.00 9.04  ?  154 CYS   A O    1 
ATOM   2504 C  CB   . CYS   A 1 154 ? 62.978 24.044  -1.718  1.00 8.42  ?  154 CYS   A CB   1 
ATOM   2505 S  SG   . CYS   A 1 154 ? 62.352 22.813  -0.562  1.00 9.14  ?  154 CYS   A SG   1 
ATOM   2506 H  H    . CYS   A 1 154 ? 64.438 25.769  -0.488  1.00 8.86  ?  154 CYS   A H    1 
ATOM   2507 H  HA   . CYS   A 1 154 ? 64.898 23.337  -1.622  1.00 8.41  ?  154 CYS   A HA   1 
ATOM   2508 H  HB2  . CYS   A 1 154 ? 62.557 24.890  -1.501  1.00 8.56  ?  154 CYS   A HB2  1 
ATOM   2509 H  HB3  . CYS   A 1 154 ? 62.699 23.763  -2.603  1.00 8.52  ?  154 CYS   A HB3  1 
ATOM   2510 H  HG   . CYS   A 1 154 ? 62.824 21.604  -0.908  1.00 8.99  ?  154 CYS   A HG   1 
ATOM   2511 N  N    . SER   A 1 155 ? 65.890 25.775  -3.011  1.00 9.44  ?  155 SER   A N    1 
ATOM   2512 C  CA   . SER   A 1 155 ? 66.355 26.414  -4.235  1.00 9.22  ?  155 SER   A CA   1 
ATOM   2513 C  C    . SER   A 1 155 ? 66.938 25.429  -5.236  1.00 9.29  ?  155 SER   A C    1 
ATOM   2514 O  O    . SER   A 1 155 ? 66.794 25.607  -6.442  1.00 9.29  ?  155 SER   A O    1 
ATOM   2515 C  CB   . SER   A 1 155 ? 67.393 27.472  -3.869  1.00 9.48  ?  155 SER   A CB   1 
ATOM   2516 O  OG   . SER   A 1 155 ? 67.802 28.159  -5.047  1.00 10.96 ?  155 SER   A OG   1 
ATOM   2517 H  H    . SER   A 1 155 ? 66.276 26.063  -2.299  1.00 9.16  ?  155 SER   A H    1 
ATOM   2518 H  HA   . SER   A 1 155 ? 65.599 26.867  -4.663  1.00 9.28  ?  155 SER   A HA   1 
ATOM   2519 H  HB2  . SER   A 1 155 ? 66.999 28.107  -3.250  1.00 9.76  ?  155 SER   A HB2  1 
ATOM   2520 H  HB3  . SER   A 1 155 ? 68.161 27.041  -3.464  1.00 9.78  ?  155 SER   A HB3  1 
ATOM   2521 H  HG   . SER   A 1 155 ? 68.351 28.735  -4.863  0.00 10.59 ?  155 SER   A HG   1 
ATOM   2522 N  N    . HIS   A 1 156 ? 67.585 24.385  -4.743  1.00 8.57  ?  156 HIS   A N    1 
ATOM   2523 C  CA   . HIS   A 1 156 ? 68.203 23.373  -5.608  1.00 9.71  ?  156 HIS   A CA   1 
ATOM   2524 C  C    . HIS   A 1 156 ? 67.197 22.603  -6.456  1.00 9.39  ?  156 HIS   A C    1 
ATOM   2525 O  O    . HIS   A 1 156 ? 67.568 22.031  -7.481  1.00 10.47 ?  156 HIS   A O    1 
ATOM   2526 C  CB   . HIS   A 1 156 ? 69.083 22.415  -4.794  1.00 9.57  ?  156 HIS   A CB   1 
ATOM   2527 C  CG   . HIS   A 1 156 ? 68.356 21.703  -3.702  1.00 10.06 ?  156 HIS   A CG   1 
ATOM   2528 N  ND1  . HIS   A 1 156 ? 67.911 22.342  -2.561  1.00 10.13 ?  156 HIS   A ND1  1 
ATOM   2529 C  CD2  . HIS   A 1 156 ? 67.996 20.400  -3.571  1.00 10.40 ?  156 HIS   A CD2  1 
ATOM   2530 C  CE1  . HIS   A 1 156 ? 67.328 21.452  -1.774  1.00 10.10 ?  156 HIS   A CE1  1 
ATOM   2531 N  NE2  . HIS   A 1 156 ? 67.365 20.270  -2.366  1.00 10.11 ?  156 HIS   A NE2  1 
ATOM   2532 H  H    . HIS   A 1 156 ? 67.701 24.260  -3.908  1.00 8.98  ?  156 HIS   A H    1 
ATOM   2533 H  HA   . HIS   A 1 156 ? 68.795 23.840  -6.232  1.00 9.18  ?  156 HIS   A HA   1 
ATOM   2534 H  HB2  . HIS   A 1 156 ? 69.450 21.744  -5.391  1.00 9.41  ?  156 HIS   A HB2  1 
ATOM   2535 H  HB3  . HIS   A 1 156 ? 69.803 22.922  -4.388  1.00 9.36  ?  156 HIS   A HB3  1 
ATOM   2536 H  HD1  . HIS   A 1 156 ? 68.017 23.172  -2.370  1.00 9.81  ?  156 HIS   A HD1  1 
ATOM   2537 H  HD2  . HIS   A 1 156 ? 68.159 19.720  -4.181  1.00 10.20 ?  156 HIS   A HD2  1 
ATOM   2538 H  HE1  . HIS   A 1 156 ? 66.942 21.624  -0.948  1.00 9.75  ?  156 HIS   A HE1  1 
ATOM   2539 H  HE2  . HIS   A 1 156 ? 67.035 19.541  -2.050  1.00 10.07 ?  156 HIS   A HE2  1 
ATOM   2540 N  N    . PHE   A 1 157 ? 65.935 22.588  -6.047  1.00 9.00  ?  157 PHE   A N    1 
ATOM   2541 C  CA   . PHE   A 1 157 ? 64.863 22.130  -6.915  1.00 8.87  ?  157 PHE   A CA   1 
ATOM   2542 C  C    . PHE   A 1 157 ? 64.571 23.328  -7.805  1.00 8.90  ?  157 PHE   A C    1 
ATOM   2543 O  O    . PHE   A 1 157 ? 63.925 24.276  -7.380  1.00 8.92  ?  157 PHE   A O    1 
ATOM   2544 C  CB   . PHE   A 1 157 ? 63.645 21.748  -6.094  1.00 8.89  ?  157 PHE   A CB   1 
ATOM   2545 C  CG   . PHE   A 1 157 ? 63.870 20.584  -5.166  1.00 8.80  ?  157 PHE   A CG   1 
ATOM   2546 C  CD1  . PHE   A 1 157 ? 64.138 19.309  -5.643  1.00 9.37  ?  157 PHE   A CD1  1 
ATOM   2547 C  CD2  . PHE   A 1 157 ? 63.791 20.760  -3.801  1.00 8.19  ?  157 PHE   A CD2  1 
ATOM   2548 C  CE1  . PHE   A 1 157 ? 64.303 18.242  -4.771  1.00 8.92  ?  157 PHE   A CE1  1 
ATOM   2549 C  CE2  . PHE   A 1 157 ? 63.969 19.697  -2.923  1.00 8.73  ?  157 PHE   A CE2  1 
ATOM   2550 C  CZ   . PHE   A 1 157 ? 64.224 18.435  -3.411  1.00 8.46  ?  157 PHE   A CZ   1 
ATOM   2551 H  H    . PHE   A 1 157 ? 65.674 22.834  -5.266  1.00 8.92  ?  157 PHE   A H    1 
ATOM   2552 H  HA   . PHE   A 1 157 ? 65.143 21.365  -7.460  1.00 9.12  ?  157 PHE   A HA   1 
ATOM   2553 H  HB2  . PHE   A 1 157 ? 63.370 22.509  -5.561  1.00 8.96  ?  157 PHE   A HB2  1 
ATOM   2554 H  HB3  . PHE   A 1 157 ? 62.929 21.502  -6.699  1.00 8.73  ?  157 PHE   A HB3  1 
ATOM   2555 H  HD1  . PHE   A 1 157 ? 64.181 19.163  -6.560  1.00 9.54  ?  157 PHE   A HD1  1 
ATOM   2556 H  HD2  . PHE   A 1 157 ? 63.610 21.605  -3.458  1.00 8.38  ?  157 PHE   A HD2  1 
ATOM   2557 H  HE1  . PHE   A 1 157 ? 64.486 17.394  -5.107  1.00 8.91  ?  157 PHE   A HE1  1 
ATOM   2558 H  HE2  . PHE   A 1 157 ? 63.915 19.839  -2.006  1.00 8.68  ?  157 PHE   A HE2  1 
ATOM   2559 H  HZ   . PHE   A 1 157 ? 64.355 17.723  -2.827  1.00 8.39  ?  157 PHE   A HZ   1 
ATOM   2560 N  N    . ARG   A 1 158 ? 65.096 23.324  -9.021  1.00 9.92  ?  158 ARG   A N    1 
ATOM   2561 C  CA   . ARG   A 1 158 ? 65.140 24.562  -9.790  1.00 10.89 ?  158 ARG   A CA   1 
ATOM   2562 C  C    . ARG   A 1 158 ? 63.744 25.004  -10.212 1.00 11.15 ?  158 ARG   A C    1 
ATOM   2563 O  O    . ARG   A 1 158 ? 63.536 26.199  -10.479 1.00 12.05 ?  158 ARG   A O    1 
ATOM   2564 C  CB   . ARG   A 1 158 ? 66.062 24.439  -11.005 1.00 11.49 ?  158 ARG   A CB   1 
ATOM   2565 C  CG   . ARG   A 1 158 ? 67.486 23.948  -10.704 1.00 12.81 ?  158 ARG   A CG   1 
ATOM   2566 C  CD   . ARG   A 1 158 ? 68.235 24.764  -9.670  1.00 12.82 ?  158 ARG   A CD   1 
ATOM   2567 N  NE   . ARG   A 1 158 ? 68.289 26.190  -9.981  1.00 13.02 ?  158 ARG   A NE   1 
ATOM   2568 C  CZ   . ARG   A 1 158 ? 68.922 27.074  -9.219  1.00 13.60 ?  158 ARG   A CZ   1 
ATOM   2569 N  NH1  . ARG   A 1 158 ? 69.556 26.694  -8.119  1.00 15.59 ?  158 ARG   A NH1  1 
ATOM   2570 N  NH2  . ARG   A 1 158 ? 68.883 28.351  -9.557  1.00 14.85 ?  158 ARG   A NH2  1 
ATOM   2571 H  H    . ARG   A 1 158 ? 65.414 22.631  -9.418  1.00 9.99  ?  158 ARG   A H    1 
ATOM   2572 H  HA   . ARG   A 1 158 ? 65.506 25.271  -9.221  1.00 11.22 ?  158 ARG   A HA   1 
ATOM   2573 H  HB2  . ARG   A 1 158 ? 65.665 23.810  -11.627 1.00 11.84 ?  158 ARG   A HB2  1 
ATOM   2574 H  HB3  . ARG   A 1 158 ? 66.133 25.309  -11.428 1.00 11.58 ?  158 ARG   A HB3  1 
ATOM   2575 H  HG2  . ARG   A 1 158 ? 67.445 23.035  -10.383 1.00 12.48 ?  158 ARG   A HG2  1 
ATOM   2576 H  HG3  . ARG   A 1 158 ? 68.001 23.979  -11.526 1.00 12.33 ?  158 ARG   A HG3  1 
ATOM   2577 H  HD2  . ARG   A 1 158 ? 67.799 24.660  -8.810  1.00 12.65 ?  158 ARG   A HD2  1 
ATOM   2578 H  HD3  . ARG   A 1 158 ? 69.147 24.436  -9.621  1.00 13.01 ?  158 ARG   A HD3  1 
ATOM   2579 H  HE   . ARG   A 1 158 ? 68.092 26.450  -10.896 1.00 13.08 ?  158 ARG   A HE   1 
ATOM   2580 H  HH11 . ARG   A 1 158 ? 69.576 25.869  -7.881  1.00 14.71 ?  158 ARG   A HH11 1 
ATOM   2581 H  HH12 . ARG   A 1 158 ? 69.961 27.280  -7.636  1.00 15.21 ?  158 ARG   A HH12 1 
ATOM   2582 H  HH21 . ARG   A 1 158 ? 68.474 28.597  -10.273 1.00 14.89 ?  158 ARG   A HH21 1 
ATOM   2583 H  HH22 . ARG   A 1 158 ? 69.296 28.936  -9.081  1.00 13.91 ?  158 ARG   A HH22 1 
ATOM   2584 N  N    . ASP   A 1 159 ? 62.766 24.080  -10.245 1.00 10.36 ?  159 ASP   A N    1 
ATOM   2585 C  CA   . ASP   A 1 159 ? 61.391 24.434  -10.543 1.00 11.15 ?  159 ASP   A CA   1 
ATOM   2586 C  C    . ASP   A 1 159 ? 60.509 24.606  -9.311  1.00 10.40 ?  159 ASP   A C    1 
ATOM   2587 O  O    . ASP   A 1 159 ? 59.291 24.746  -9.444  1.00 10.98 ?  159 ASP   A O    1 
ATOM   2588 C  CB   . ASP   A 1 159 ? 60.760 23.427  -11.514 1.00 11.75 ?  159 ASP   A CB   1 
ATOM   2589 C  CG   . ASP   A 1 159 ? 61.376 23.486  -12.883 1.00 14.19 ?  159 ASP   A CG   1 
ATOM   2590 O  OD1  . ASP   A 1 159 ? 61.432 24.596  -13.440 1.00 16.16 ?  159 ASP   A OD1  1 
ATOM   2591 O  OD2  . ASP   A 1 159 ? 61.822 22.434  -13.352 1.00 16.18 ?  159 ASP   A OD2  1 
ATOM   2592 H  H    . ASP   A 1 159 ? 62.881 23.239  -10.106 1.00 10.67 ?  159 ASP   A H    1 
ATOM   2593 H  HA   . ASP   A 1 159 ? 61.384 25.300  -11.000 1.00 11.22 ?  159 ASP   A HA   1 
ATOM   2594 H  HB2  . ASP   A 1 159 ? 60.881 22.530  -11.163 1.00 12.00 ?  159 ASP   A HB2  1 
ATOM   2595 H  HB3  . ASP   A 1 159 ? 59.815 23.619  -11.612 1.00 11.98 ?  159 ASP   A HB3  1 
ATOM   2596 N  N    . PHE   A 1 160 ? 61.108 24.630  -8.126  1.00 9.66  ?  160 PHE   A N    1 
ATOM   2597 C  CA   . PHE   A 1 160 ? 60.353 24.958  -6.924  1.00 10.41 ?  160 PHE   A CA   1 
ATOM   2598 C  C    . PHE   A 1 160 ? 59.884 26.409  -6.977  1.00 10.73 ?  160 PHE   A C    1 
ATOM   2599 O  O    . PHE   A 1 160 ? 60.601 27.268  -7.474  1.00 11.01 ?  160 PHE   A O    1 
ATOM   2600 C  CB   . PHE   A 1 160 ? 61.219 24.686  -5.696  1.00 10.56 ?  160 PHE   A CB   1 
ATOM   2601 C  CG   . PHE   A 1 160 ? 60.663 25.239  -4.425  1.00 10.09 ?  160 PHE   A CG   1 
ATOM   2602 C  CD1  . PHE   A 1 160 ? 61.077 26.471  -3.989  1.00 11.80 ?  160 PHE   A CD1  1 
ATOM   2603 C  CD2  . PHE   A 1 160 ? 59.736 24.538  -3.660  1.00 11.23 ?  160 PHE   A CD2  1 
ATOM   2604 C  CE1  . PHE   A 1 160 ? 60.604 27.017  -2.826  1.00 12.98 ?  160 PHE   A CE1  1 
ATOM   2605 C  CE2  . PHE   A 1 160 ? 59.229 25.099  -2.484  1.00 12.24 ?  160 PHE   A CE2  1 
ATOM   2606 C  CZ   . PHE   A 1 160 ? 59.662 26.354  -2.099  1.00 12.13 ?  160 PHE   A CZ   1 
ATOM   2607 H  H    . PHE   A 1 160 ? 61.939 24.462  -7.992  1.00 10.10 ?  160 PHE   A H    1 
ATOM   2608 H  HA   . PHE   A 1 160 ? 59.570 24.374  -6.872  1.00 10.39 ?  160 PHE   A HA   1 
ATOM   2609 H  HB2  . PHE   A 1 160 ? 61.311 23.727  -5.585  1.00 10.53 ?  160 PHE   A HB2  1 
ATOM   2610 H  HB3  . PHE   A 1 160 ? 62.091 25.086  -5.830  1.00 10.48 ?  160 PHE   A HB3  1 
ATOM   2611 H  HD1  . PHE   A 1 160 ? 61.702 26.945  -4.489  1.00 11.95 ?  160 PHE   A HD1  1 
ATOM   2612 H  HD2  . PHE   A 1 160 ? 59.434 23.706  -3.945  1.00 10.93 ?  160 PHE   A HD2  1 
ATOM   2613 H  HE1  . PHE   A 1 160 ? 60.889 27.861  -2.559  1.00 12.44 ?  160 PHE   A HE1  1 
ATOM   2614 H  HE2  . PHE   A 1 160 ? 58.602 24.639  -1.974  1.00 10.61 ?  160 PHE   A HE2  1 
ATOM   2615 H  HZ   . PHE   A 1 160 ? 59.352 26.724  -1.307  1.00 11.65 ?  160 PHE   A HZ   1 
ATOM   2616 N  N    . ASP   A 1 161 ? 58.689 26.676  -6.481  1.00 10.92 ?  161 ASP   A N    1 
ATOM   2617 C  CA   A ASP   A 1 161 ? 58.208 28.029  -6.354  0.50 11.86 ?  161 ASP   A CA   1 
ATOM   2618 C  CA   B ASP   A 1 161 ? 58.092 28.007  -6.451  0.50 11.85 ?  161 ASP   A CA   1 
ATOM   2619 C  C    . ASP   A 1 161 ? 57.449 28.209  -5.063  1.00 11.62 ?  161 ASP   A C    1 
ATOM   2620 O  O    . ASP   A 1 161 ? 56.497 27.488  -4.746  1.00 12.44 ?  161 ASP   A O    1 
ATOM   2621 C  CB   A ASP   A 1 161 ? 57.324 28.454  -7.495  0.50 13.21 ?  161 ASP   A CB   1 
ATOM   2622 C  CB   B ASP   A 1 161 ? 57.044 28.087  -7.577  0.50 13.80 ?  161 ASP   A CB   1 
ATOM   2623 C  CG   A ASP   A 1 161 ? 56.854 29.873  -7.320  0.50 14.74 ?  161 ASP   A CG   1 
ATOM   2624 C  CG   B ASP   A 1 161 ? 56.461 29.472  -7.752  0.50 13.68 ?  161 ASP   A CG   1 
ATOM   2625 O  OD1  A ASP   A 1 161 ? 55.721 30.052  -6.843  0.50 15.27 ?  161 ASP   A OD1  1 
ATOM   2626 O  OD1  B ASP   A 1 161 ? 56.208 30.144  -6.726  0.50 13.16 ?  161 ASP   A OD1  1 
ATOM   2627 O  OD2  A ASP   A 1 161 ? 57.660 30.794  -7.596  0.50 14.96 ?  161 ASP   A OD2  1 
ATOM   2628 O  OD2  B ASP   A 1 161 ? 56.308 29.890  -8.927  0.50 19.63 ?  161 ASP   A OD2  1 
ATOM   2629 H  H    . ASP   A 1 161 ? 58.157 26.073  -6.176  1.00 11.12 ?  161 ASP   A H    1 
ATOM   2630 H  HA   A ASP   A 1 161 ? 58.973 28.642  -6.339  0.50 12.06 ?  161 ASP   A HA   1 
ATOM   2631 H  HA   B ASP   A 1 161 ? 58.769 28.700  -6.594  0.50 11.90 ?  161 ASP   A HA   1 
ATOM   2632 H  HB2  A ASP   A 1 161 ? 57.823 28.399  -8.325  0.50 12.85 ?  161 ASP   A HB2  1 
ATOM   2633 H  HB2  B ASP   A 1 161 ? 57.463 27.834  -8.414  0.50 13.50 ?  161 ASP   A HB2  1 
ATOM   2634 H  HB3  A ASP   A 1 161 ? 56.545 27.876  -7.531  0.50 13.10 ?  161 ASP   A HB3  1 
ATOM   2635 H  HB3  B ASP   A 1 161 ? 56.315 27.479  -7.377  0.50 13.24 ?  161 ASP   A HB3  1 
ATOM   2636 N  N    . HIS   A 1 162 ? 57.909 29.181  -4.285  1.00 12.45 ?  162 HIS   A N    1 
ATOM   2637 C  CA   . HIS   A 1 162 ? 57.392 29.465  -2.942  1.00 12.94 ?  162 HIS   A CA   1 
ATOM   2638 C  C    . HIS   A 1 162 ? 55.903 29.752  -2.921  1.00 13.39 ?  162 HIS   A C    1 
ATOM   2639 O  O    . HIS   A 1 162 ? 55.228 29.425  -1.938  1.00 13.23 ?  162 HIS   A O    1 
ATOM   2640 C  CB   . HIS   A 1 162 ? 58.187 30.655  -2.364  1.00 13.85 ?  162 HIS   A CB   1 
ATOM   2641 C  CG   . HIS   A 1 162 ? 57.774 31.093  -0.995  1.00 15.47 ?  162 HIS   A CG   1 
ATOM   2642 N  ND1  . HIS   A 1 162 ? 57.761 30.251  0.090   1.00 14.77 ?  162 HIS   A ND1  1 
ATOM   2643 C  CD2  . HIS   A 1 162 ? 57.455 32.321  -0.517  1.00 15.62 ?  162 HIS   A CD2  1 
ATOM   2644 C  CE1  . HIS   A 1 162 ? 57.403 30.923  1.166   1.00 15.36 ?  162 HIS   A CE1  1 
ATOM   2645 N  NE2  . HIS   A 1 162 ? 57.193 32.180  0.820   1.00 17.96 ?  162 HIS   A NE2  1 
ATOM   2646 H  H    . HIS   A 1 162 ? 58.543 29.713  -4.517  1.00 12.19 ?  162 HIS   A H    1 
ATOM   2647 H  HA   . HIS   A 1 162 ? 57.555 28.688  -2.369  1.00 12.91 ?  162 HIS   A HA   1 
ATOM   2648 H  HB2  . HIS   A 1 162 ? 59.124 30.407  -2.319  1.00 13.86 ?  162 HIS   A HB2  1 
ATOM   2649 H  HB3  . HIS   A 1 162 ? 58.080 31.415  -2.956  1.00 13.94 ?  162 HIS   A HB3  1 
ATOM   2650 H  HD1  . HIS   A 1 162 ? 57.939 29.411  0.068   1.00 15.04 ?  162 HIS   A HD1  1 
ATOM   2651 H  HD2  . HIS   A 1 162 ? 57.380 33.103  -1.014  1.00 15.50 ?  162 HIS   A HD2  1 
ATOM   2652 H  HE1  . HIS   A 1 162 ? 57.295 30.569  2.019   1.00 15.59 ?  162 HIS   A HE1  1 
ATOM   2653 H  HE2  . HIS   A 1 162 ? 56.956 32.812  1.352   1.00 16.63 ?  162 HIS   A HE2  1 
ATOM   2654 N  N    . ASN   A 1 163 ? 55.371 30.347  -3.984  1.00 13.22 ?  163 ASN   A N    1 
ATOM   2655 C  CA   . ASN   A 1 163 ? 53.951 30.685  -3.987  1.00 15.80 ?  163 ASN   A CA   1 
ATOM   2656 C  C    . ASN   A 1 163 ? 53.097 29.442  -4.199  1.00 14.56 ?  163 ASN   A C    1 
ATOM   2657 O  O    . ASN   A 1 163 ? 51.944 29.400  -3.774  1.00 15.27 ?  163 ASN   A O    1 
ATOM   2658 C  CB   . ASN   A 1 163 ? 53.639 31.725  -5.063  1.00 17.96 ?  163 ASN   A CB   1 
ATOM   2659 C  CG   . ASN   A 1 163 ? 52.406 32.555  -4.744  1.00 21.46 ?  163 ASN   A CG   1 
ATOM   2660 O  OD1  . ASN   A 1 163 ? 52.224 33.020  -3.617  1.00 26.61 ?  163 ASN   A OD1  1 
ATOM   2661 N  ND2  . ASN   A 1 163 ? 51.567 32.754  -5.739  1.00 26.43 ?  163 ASN   A ND2  1 
ATOM   2662 H  H    . ASN   A 1 163 ? 55.798 30.564  -4.698  1.00 13.04 ?  163 ASN   A H    1 
ATOM   2663 H  HA   . ASN   A 1 163 ? 53.713 31.068  -3.117  1.00 15.78 ?  163 ASN   A HA   1 
ATOM   2664 H  HB2  . ASN   A 1 163 ? 54.390 32.334  -5.139  1.00 17.47 ?  163 ASN   A HB2  1 
ATOM   2665 H  HB3  . ASN   A 1 163 ? 53.497 31.271  -5.908  1.00 18.70 ?  163 ASN   A HB3  1 
ATOM   2666 H  HD21 . ASN   A 1 163 ? 50.726 33.231  -5.577  1.00 24.60 ?  163 ASN   A HD21 1 
ATOM   2667 H  HD22 . ASN   A 1 163 ? 51.776 32.432  -6.641  1.00 24.46 ?  163 ASN   A HD22 1 
ATOM   2668 N  N    . LEU   A 1 164 ? 53.662 28.448  -4.878  1.00 12.52 ?  164 LEU   A N    1 
ATOM   2669 C  CA   . LEU   A 1 164 ? 52.915 27.241  -5.238  1.00 12.39 ?  164 LEU   A CA   1 
ATOM   2670 C  C    . LEU   A 1 164 ? 53.131 26.059  -4.298  1.00 11.36 ?  164 LEU   A C    1 
ATOM   2671 O  O    . LEU   A 1 164 ? 52.332 25.122  -4.278  1.00 11.82 ?  164 LEU   A O    1 
ATOM   2672 C  CB   . LEU   A 1 164 ? 53.303 26.750  -6.641  1.00 13.77 ?  164 LEU   A CB   1 
ATOM   2673 C  CG   . LEU   A 1 164 ? 53.056 27.700  -7.813  1.00 15.77 ?  164 LEU   A CG   1 
ATOM   2674 C  CD1  . LEU   A 1 164 ? 53.485 27.039  -9.112  1.00 17.56 ?  164 LEU   A CD1  1 
ATOM   2675 C  CD2  . LEU   A 1 164 ? 51.600 28.144  -7.862  1.00 18.18 ?  164 LEU   A CD2  1 
ATOM   2676 H  H    . LEU   A 1 164 ? 54.478 28.441  -5.151  1.00 12.88 ?  164 LEU   A H    1 
ATOM   2677 H  HA   . LEU   A 1 164 ? 51.955 27.435  -5.244  1.00 12.83 ?  164 LEU   A HA   1 
ATOM   2678 H  HB2  . LEU   A 1 164 ? 54.250 26.540  -6.638  1.00 13.81 ?  164 LEU   A HB2  1 
ATOM   2679 H  HB3  . LEU   A 1 164 ? 52.798 25.945  -6.826  1.00 13.82 ?  164 LEU   A HB3  1 
ATOM   2680 H  HG   . LEU   A 1 164 ? 53.602 28.493  -7.691  1.00 15.56 ?  164 LEU   A HG   1 
ATOM   2681 H  HD11 . LEU   A 1 164 ? 54.422 26.834  -9.064  1.00 17.00 ?  164 LEU   A HD11 1 
ATOM   2682 H  HD12 . LEU   A 1 164 ? 53.318 27.642  -9.840  1.00 16.95 ?  164 LEU   A HD12 1 
ATOM   2683 H  HD13 . LEU   A 1 164 ? 52.979 26.232  -9.233  1.00 16.90 ?  164 LEU   A HD13 1 
ATOM   2684 H  HD21 . LEU   A 1 164 ? 51.036 27.368  -7.819  1.00 17.05 ?  164 LEU   A HD21 1 
ATOM   2685 H  HD22 . LEU   A 1 164 ? 51.447 28.615  -8.686  1.00 17.04 ?  164 LEU   A HD22 1 
ATOM   2686 H  HD23 . LEU   A 1 164 ? 51.420 28.724  -7.118  1.00 17.61 ?  164 LEU   A HD23 1 
ATOM   2687 N  N    . GLN   A 1 165 ? 54.225 26.100  -3.565  1.00 10.33 ?  165 GLN   A N    1 
ATOM   2688 C  CA   . GLN   A 1 165 ? 54.759 24.935  -2.882  1.00 9.94  ?  165 GLN   A CA   1 
ATOM   2689 C  C    . GLN   A 1 165 ? 55.331 25.286  -1.536  1.00 10.06 ?  165 GLN   A C    1 
ATOM   2690 O  O    . GLN   A 1 165 ? 55.814 26.405  -1.306  1.00 11.21 ?  165 GLN   A O    1 
ATOM   2691 C  CB   . GLN   A 1 165 ? 55.856 24.256  -3.740  1.00 9.58  ?  165 GLN   A CB   1 
ATOM   2692 C  CG   . GLN   A 1 165 ? 55.333 23.591  -5.001  1.00 9.94  ?  165 GLN   A CG   1 
ATOM   2693 C  CD   . GLN   A 1 165 ? 56.345 23.462  -6.119  1.00 9.96  ?  165 GLN   A CD   1 
ATOM   2694 O  OE1  . GLN   A 1 165 ? 57.259 24.276  -6.246  1.00 11.44 ?  165 GLN   A OE1  1 
ATOM   2695 N  NE2  . GLN   A 1 165 ? 56.215 22.442  -6.936  1.00 10.01 ?  165 GLN   A NE2  1 
ATOM   2696 H  H    . GLN   A 1 165 ? 54.695 26.808  -3.439  1.00 10.23 ?  165 GLN   A H    1 
ATOM   2697 H  HA   . GLN   A 1 165 ? 54.038 24.288  -2.743  1.00 10.04 ?  165 GLN   A HA   1 
ATOM   2698 H  HB2  . GLN   A 1 165 ? 56.503 24.931  -3.994  1.00 9.50  ?  165 GLN   A HB2  1 
ATOM   2699 H  HB3  . GLN   A 1 165 ? 56.290 23.571  -3.207  1.00 9.92  ?  165 GLN   A HB3  1 
ATOM   2700 H  HG2  . GLN   A 1 165 ? 55.032 22.699  -4.770  1.00 9.93  ?  165 GLN   A HG2  1 
ATOM   2701 H  HG3  . GLN   A 1 165 ? 54.589 24.103  -5.347  1.00 10.14 ?  165 GLN   A HG3  1 
ATOM   2702 H  HE21 . GLN   A 1 165 ? 56.790 22.319  -7.564  1.00 9.73  ?  165 GLN   A HE21 1 
ATOM   2703 H  HE22 . GLN   A 1 165 ? 55.556 21.896  -6.848  1.00 9.31  ?  165 GLN   A HE22 1 
ATOM   2704 N  N    . LEU   A 1 166 ? 55.308 24.302  -0.644  1.00 9.64  ?  166 LEU   A N    1 
ATOM   2705 C  CA   . LEU   A 1 166 ? 55.988 24.348  0.637   1.00 9.45  ?  166 LEU   A CA   1 
ATOM   2706 C  C    . LEU   A 1 166 ? 57.289 23.566  0.556   1.00 8.72  ?  166 LEU   A C    1 
ATOM   2707 O  O    . LEU   A 1 166 ? 57.387 22.568  -0.189  1.00 9.49  ?  166 LEU   A O    1 
ATOM   2708 C  CB   . LEU   A 1 166 ? 55.119 23.704  1.715   1.00 11.37 ?  166 LEU   A CB   1 
ATOM   2709 C  CG   . LEU   A 1 166 ? 53.769 24.354  1.950   1.00 14.82 ?  166 LEU   A CG   1 
ATOM   2710 C  CD1  . LEU   A 1 166 ? 52.929 23.477  2.865   1.00 15.41 ?  166 LEU   A CD1  1 
ATOM   2711 C  CD2  . LEU   A 1 166 ? 53.928 25.725  2.551   1.00 19.15 ?  166 LEU   A CD2  1 
ATOM   2712 H  H    . LEU   A 1 166 ? 54.886 23.563  -0.769  1.00 9.61  ?  166 LEU   A H    1 
ATOM   2713 H  HA   . LEU   A 1 166 ? 56.187 25.272  0.893   1.00 9.91  ?  166 LEU   A HA   1 
ATOM   2714 H  HB2  . LEU   A 1 166 ? 54.958 22.781  1.466   1.00 11.29 ?  166 LEU   A HB2  1 
ATOM   2715 H  HB3  . LEU   A 1 166 ? 55.604 23.731  2.554   1.00 11.61 ?  166 LEU   A HB3  1 
ATOM   2716 H  HG   . LEU   A 1 166 ? 53.301 24.445  1.106   1.00 14.15 ?  166 LEU   A HG   1 
ATOM   2717 H  HD11 . LEU   A 1 166 ? 52.797 22.624  2.445   1.00 14.87 ?  166 LEU   A HD11 1 
ATOM   2718 H  HD12 . LEU   A 1 166 ? 52.082 23.903  3.014   1.00 15.34 ?  166 LEU   A HD12 1 
ATOM   2719 H  HD13 . LEU   A 1 166 ? 53.391 23.364  3.699   1.00 15.67 ?  166 LEU   A HD13 1 
ATOM   2720 H  HD21 . LEU   A 1 166 ? 54.349 25.644  3.409   1.00 18.67 ?  166 LEU   A HD21 1 
ATOM   2721 H  HD22 . LEU   A 1 166 ? 53.059 26.117  2.654   1.00 17.01 ?  166 LEU   A HD22 1 
ATOM   2722 H  HD23 . LEU   A 1 166 ? 54.465 26.268  1.972   1.00 15.96 ?  166 LEU   A HD23 1 
ATOM   2723 N  N    . CYS   A 1 167 ? 58.290 24.008  1.317   1.00 8.73  ?  167 CYS   A N    1 
ATOM   2724 C  CA   . CYS   A 1 167 ? 59.582 23.374  1.410   1.00 8.73  ?  167 CYS   A CA   1 
ATOM   2725 C  C    . CYS   A 1 167 ? 59.648 22.728  2.774   1.00 9.01  ?  167 CYS   A C    1 
ATOM   2726 O  O    . CYS   A 1 167 ? 59.555 23.436  3.777   1.00 9.55  ?  167 CYS   A O    1 
ATOM   2727 C  CB   . CYS   A 1 167 ? 60.652 24.457  1.276   1.00 9.23  ?  167 CYS   A CB   1 
ATOM   2728 S  SG   . CYS   A 1 167 ? 62.325 23.794  1.234   1.00 9.56  ?  167 CYS   A SG   1 
ATOM   2729 H  H    . CYS   A 1 167 ? 58.228 24.709  1.811   1.00 8.83  ?  167 CYS   A H    1 
ATOM   2730 H  HA   . CYS   A 1 167 ? 59.706 22.698  0.712   1.00 8.84  ?  167 CYS   A HA   1 
ATOM   2731 H  HB2  . CYS   A 1 167 ? 60.504 24.940  0.448   1.00 9.23  ?  167 CYS   A HB2  1 
ATOM   2732 H  HB3  . CYS   A 1 167 ? 60.589 25.066  2.028   1.00 8.98  ?  167 CYS   A HB3  1 
ATOM   2733 H  HG   . CYS   A 1 167 ? 62.620 23.193  2.404   1.00 9.81  ?  167 CYS   A HG   1 
ATOM   2734 N  N    . VAL   A 1 168 ? 59.763 21.412  2.842   1.00 8.25  ?  168 VAL   A N    1 
ATOM   2735 C  CA   . VAL   A 1 168 ? 59.459 20.692  4.076   1.00 8.40  ?  168 VAL   A CA   1 
ATOM   2736 C  C    . VAL   A 1 168 ? 60.539 19.699  4.436   1.00 8.50  ?  168 VAL   A C    1 
ATOM   2737 O  O    . VAL   A 1 168 ? 60.868 18.797  3.669   1.00 9.22  ?  168 VAL   A O    1 
ATOM   2738 C  CB   . VAL   A 1 168 ? 58.112 19.952  3.922   1.00 9.84  ?  168 VAL   A CB   1 
ATOM   2739 C  CG1  . VAL   A 1 168 ? 57.720 19.248  5.205   1.00 11.46 ?  168 VAL   A CG1  1 
ATOM   2740 C  CG2  . VAL   A 1 168 ? 57.029 20.919  3.483   1.00 10.25 ?  168 VAL   A CG2  1 
ATOM   2741 H  H    . VAL   A 1 168 ? 60.014 20.908  2.192   1.00 8.41  ?  168 VAL   A H    1 
ATOM   2742 H  HA   . VAL   A 1 168 ? 59.364 21.322  4.819   1.00 8.60  ?  168 VAL   A HA   1 
ATOM   2743 H  HB   . VAL   A 1 168 ? 58.209 19.273  3.224   1.00 9.72  ?  168 VAL   A HB   1 
ATOM   2744 H  HG11 . VAL   A 1 168 ? 58.322 18.518  5.366   1.00 11.02 ?  168 VAL   A HG11 1 
ATOM   2745 H  HG12 . VAL   A 1 168 ? 56.824 18.913  5.116   1.00 11.03 ?  168 VAL   A HG12 1 
ATOM   2746 H  HG13 . VAL   A 1 168 ? 57.764 19.876  5.930   1.00 11.11 ?  168 VAL   A HG13 1 
ATOM   2747 H  HG21 . VAL   A 1 168 ? 57.044 21.685  4.062   1.00 10.04 ?  168 VAL   A HG21 1 
ATOM   2748 H  HG22 . VAL   A 1 168 ? 56.177 20.481  3.542   1.00 9.83  ?  168 VAL   A HG22 1 
ATOM   2749 H  HG23 . VAL   A 1 168 ? 57.192 21.188  2.576   1.00 9.97  ?  168 VAL   A HG23 1 
ATOM   2750 N  N    . GLY   A 1 169 ? 61.087 19.839  5.649   1.00 8.61  ?  169 GLY   A N    1 
ATOM   2751 C  CA   . GLY   A 1 169 ? 62.072 18.923  6.169   1.00 9.63  ?  169 GLY   A CA   1 
ATOM   2752 C  C    . GLY   A 1 169 ? 63.436 19.559  6.324   1.00 9.22  ?  169 GLY   A C    1 
ATOM   2753 O  O    . GLY   A 1 169 ? 64.063 19.970  5.360   1.00 9.93  ?  169 GLY   A O    1 
ATOM   2754 H  H    . GLY   A 1 169 ? 60.895 20.475  6.194   1.00 8.59  ?  169 GLY   A H    1 
ATOM   2755 H  HA2  . GLY   A 1 169 ? 61.775 18.604  7.035   1.00 9.67  ?  169 GLY   A HA2  1 
ATOM   2756 H  HA3  . GLY   A 1 169 ? 62.164 18.155  5.585   1.00 9.43  ?  169 GLY   A HA3  1 
ATOM   2757 N  N    . ASN   A 1 170 ? 63.899 19.649  7.570   1.00 10.05 ?  170 ASN   A N    1 
ATOM   2758 C  CA   . ASN   A 1 170 ? 65.213 20.205  7.875   1.00 10.11 ?  170 ASN   A CA   1 
ATOM   2759 C  C    . ASN   A 1 170 ? 66.258 19.278  7.260   1.00 9.51  ?  170 ASN   A C    1 
ATOM   2760 O  O    . ASN   A 1 170 ? 66.271 18.100  7.527   1.00 10.60 ?  170 ASN   A O    1 
ATOM   2761 C  CB   . ASN   A 1 170 ? 65.325 20.253  9.402   1.00 11.56 ?  170 ASN   A CB   1 
ATOM   2762 C  CG   . ASN   A 1 170 ? 66.622 20.841  9.895   1.00 12.85 ?  170 ASN   A CG   1 
ATOM   2763 O  OD1  . ASN   A 1 170 ? 67.577 21.041  9.160   1.00 12.96 ?  170 ASN   A OD1  1 
ATOM   2764 N  ND2  . ASN   A 1 170 ? 66.656 21.084  11.188  1.00 13.83 ?  170 ASN   A ND2  1 
ATOM   2765 H  H    . ASN   A 1 170 ? 63.461 19.389  8.263   1.00 9.96  ?  170 ASN   A H    1 
ATOM   2766 H  HA   . ASN   A 1 170 ? 65.286 21.109  7.513   1.00 10.35 ?  170 ASN   A HA   1 
ATOM   2767 H  HB2  . ASN   A 1 170 ? 64.602 20.797  9.752   1.00 11.99 ?  170 ASN   A HB2  1 
ATOM   2768 H  HB3  . ASN   A 1 170 ? 65.259 19.350  9.751   1.00 11.47 ?  170 ASN   A HB3  1 
ATOM   2769 H  HD21 . ASN   A 1 170 ? 67.456 21.483  11.589  1.00 13.06 ?  170 ASN   A HD21 1 
ATOM   2770 H  HD22 . ASN   A 1 170 ? 65.884 20.868  11.753  1.00 13.52 ?  170 ASN   A HD22 1 
ATOM   2771 N  N    . PRO   A 1 171 ? 67.194 19.823  6.450   1.00 10.63 ?  171 PRO   A N    1 
ATOM   2772 C  CA   . PRO   A 1 171 ? 68.226 19.005  5.844   1.00 11.06 ?  171 PRO   A CA   1 
ATOM   2773 C  C    . PRO   A 1 171 ? 69.215 18.384  6.829   1.00 11.93 ?  171 PRO   A C    1 
ATOM   2774 O  O    . PRO   A 1 171 ? 69.939 17.462  6.478   1.00 13.94 ?  171 PRO   A O    1 
ATOM   2775 C  CB   . PRO   A 1 171 ? 68.940 19.967  4.880   1.00 12.83 ?  171 PRO   A CB   1 
ATOM   2776 C  CG   . PRO   A 1 171 ? 68.669 21.306  5.441   1.00 13.21 ?  171 PRO   A CG   1 
ATOM   2777 C  CD   . PRO   A 1 171 ? 67.277 21.225  6.024   1.00 12.11 ?  171 PRO   A CD   1 
ATOM   2778 H  HA   . PRO   A 1 171 ? 67.814 18.286  5.321   1.00 11.02 ?  171 PRO   A HA   1 
ATOM   2779 H  HB2  . PRO   A 1 171 ? 69.893 19.784  4.866   1.00 12.77 ?  171 PRO   A HB2  1 
ATOM   2780 H  HB3  . PRO   A 1 171 ? 68.560 19.884  3.992   1.00 12.40 ?  171 PRO   A HB3  1 
ATOM   2781 H  HG2  . PRO   A 1 171 ? 69.318 21.507  6.133   1.00 12.89 ?  171 PRO   A HG2  1 
ATOM   2782 H  HG3  . PRO   A 1 171 ? 68.706 21.969  4.734   1.00 12.58 ?  171 PRO   A HG3  1 
ATOM   2783 H  HD2  . PRO   A 1 171 ? 67.202 21.831  6.776   1.00 11.81 ?  171 PRO   A HD2  1 
ATOM   2784 H  HD3  . PRO   A 1 171 ? 66.613 21.414  5.343   1.00 11.86 ?  171 PRO   A HD3  1 
ATOM   2785 N  N    . ARG   A 1 172 ? 69.202 18.862  8.076   1.00 12.04 ?  172 ARG   A N    1 
ATOM   2786 C  CA   . ARG   A 1 172 ? 70.019 18.290  9.141   1.00 13.40 ?  172 ARG   A CA   1 
ATOM   2787 C  C    . ARG   A 1 172 ? 69.512 16.968  9.678   1.00 15.11 ?  172 ARG   A C    1 
ATOM   2788 O  O    . ARG   A 1 172 ? 70.199 16.317  10.468  1.00 17.00 ?  172 ARG   A O    1 
ATOM   2789 C  CB   . ARG   A 1 172 ? 70.096 19.272  10.316  1.00 14.14 ?  172 ARG   A CB   1 
ATOM   2790 C  CG   . ARG   A 1 172 ? 70.835 20.559  10.003  1.00 15.23 ?  172 ARG   A CG   1 
ATOM   2791 C  CD   . ARG   A 1 172 ? 72.304 20.468  10.393  1.00 16.32 ?  172 ARG   A CD   1 
ATOM   2792 N  NE   . ARG   A 1 172 ? 72.524 20.422  11.847  1.00 15.67 ?  172 ARG   A NE   1 
ATOM   2793 C  CZ   . ARG   A 1 172 ? 73.711 20.228  12.420  1.00 15.59 ?  172 ARG   A CZ   1 
ATOM   2794 N  NH1  . ARG   A 1 172 ? 74.798 20.003  11.680  1.00 16.56 ?  172 ARG   A NH1  1 
ATOM   2795 N  NH2  . ARG   A 1 172 ? 73.810 20.261  13.723  1.00 13.85 ?  172 ARG   A NH2  1 
ATOM   2796 H  H    . ARG   A 1 172 ? 68.733 19.534  8.331   1.00 12.73 ?  172 ARG   A H    1 
ATOM   2797 H  HA   . ARG   A 1 172 ? 70.928 18.152  8.803   1.00 13.68 ?  172 ARG   A HA   1 
ATOM   2798 H  HB2  . ARG   A 1 172 ? 69.195 19.507  10.587  1.00 14.27 ?  172 ARG   A HB2  1 
ATOM   2799 H  HB3  . ARG   A 1 172 ? 70.552 18.841  11.055  1.00 14.33 ?  172 ARG   A HB3  1 
ATOM   2800 H  HG2  . ARG   A 1 172 ? 70.786 20.741  9.052   1.00 14.89 ?  172 ARG   A HG2  1 
ATOM   2801 H  HG3  . ARG   A 1 172 ? 70.434 21.286  10.504  1.00 15.08 ?  172 ARG   A HG3  1 
ATOM   2802 H  HD2  . ARG   A 1 172 ? 72.676 19.666  10.003  1.00 16.06 ?  172 ARG   A HD2  1 
ATOM   2803 H  HD3  . ARG   A 1 172 ? 72.768 21.244  10.043  1.00 15.91 ?  172 ARG   A HD3  1 
ATOM   2804 H  HE   . ARG   A 1 172 ? 71.737 20.420  12.418  1.00 15.65 ?  172 ARG   A HE   1 
ATOM   2805 H  HH11 . ARG   A 1 172 ? 74.754 19.995  10.822  1.00 16.08 ?  172 ARG   A HH11 1 
ATOM   2806 H  HH12 . ARG   A 1 172 ? 75.557 19.872  12.063  1.00 16.20 ?  172 ARG   A HH12 1 
ATOM   2807 H  HH21 . ARG   A 1 172 ? 73.112 20.390  14.208  1.00 14.30 ?  172 ARG   A HH21 1 
ATOM   2808 H  HH22 . ARG   A 1 172 ? 74.567 20.109  14.101  1.00 14.00 ?  172 ARG   A HH22 1 
ATOM   2809 N  N    . LYS   A 1 173 ? 68.299 16.570  9.303   1.00 14.13 ?  173 LYS   A N    1 
ATOM   2810 C  CA   . LYS   A 1 173 ? 67.715 15.334  9.804   1.00 15.69 ?  173 LYS   A CA   1 
ATOM   2811 C  C    . LYS   A 1 173 ? 67.522 14.392  8.616   1.00 15.96 ?  173 LYS   A C    1 
ATOM   2812 O  O    . LYS   A 1 173 ? 67.582 14.826  7.455   1.00 17.59 ?  173 LYS   A O    1 
ATOM   2813 C  CB   . LYS   A 1 173 ? 66.372 15.603  10.493  1.00 18.03 ?  173 LYS   A CB   1 
ATOM   2814 C  CG   . LYS   A 1 173 ? 66.329 16.764  11.470  1.00 20.94 ?  173 LYS   A CG   1 
ATOM   2815 C  CD   . LYS   A 1 173 ? 67.168 16.524  12.701  1.00 22.83 ?  173 LYS   A CD   1 
ATOM   2816 C  CE   . LYS   A 1 173 ? 67.051 17.705  13.656  1.00 21.45 ?  173 LYS   A CE   1 
ATOM   2817 N  NZ   . LYS   A 1 173 ? 67.886 17.421  14.850  1.00 19.59 ?  173 LYS   A NZ   1 
ATOM   2818 H  H    . LYS   A 1 173 ? 67.783 16.998  8.766   1.00 13.66 ?  173 LYS   A H    1 
ATOM   2819 H  HA   . LYS   A 1 173 ? 68.309 14.899  10.450  1.00 13.80 ?  173 LYS   A HA   1 
ATOM   2820 H  HB2  . LYS   A 1 173 ? 65.709 15.782  9.808   1.00 17.22 ?  173 LYS   A HB2  1 
ATOM   2821 H  HB3  . LYS   A 1 173 ? 66.118 14.806  10.983  1.00 17.47 ?  173 LYS   A HB3  1 
ATOM   2822 H  HG2  . LYS   A 1 173 ? 66.655 17.566  11.034  1.00 19.79 ?  173 LYS   A HG2  1 
ATOM   2823 H  HG3  . LYS   A 1 173 ? 65.412 16.896  11.758  1.00 20.28 ?  173 LYS   A HG3  1 
ATOM   2824 H  HD2  . LYS   A 1 173 ? 66.852 15.729  13.155  1.00 22.42 ?  173 LYS   A HD2  1 
ATOM   2825 H  HD3  . LYS   A 1 173 ? 68.098 16.422  12.445  1.00 22.05 ?  173 LYS   A HD3  1 
ATOM   2826 H  HE2  . LYS   A 1 173 ? 67.379 18.511  13.227  1.00 21.64 ?  173 LYS   A HE2  1 
ATOM   2827 H  HE3  . LYS   A 1 173 ? 66.129 17.812  13.936  1.00 21.06 ?  173 LYS   A HE3  1 
ATOM   2828 H  HZ1  . LYS   A 1 173 ? 67.596 16.607  15.267  1.00 19.91 ?  173 LYS   A HZ1  1 
ATOM   2829 H  HZ2  . LYS   A 1 173 ? 67.811 18.140  15.481  1.00 19.76 ?  173 LYS   A HZ2  1 
ATOM   2830 H  HZ3  . LYS   A 1 173 ? 68.806 17.328  14.591  1.00 19.93 ?  173 LYS   A HZ3  1 
ATOM   2831 N  N    . THR   A 1 174 ? 67.298 13.108  8.887   1.00 17.55 ?  174 THR   A N    1 
ATOM   2832 C  CA   . THR   A 1 174 ? 66.942 12.176  7.815   1.00 17.46 ?  174 THR   A CA   1 
ATOM   2833 C  C    . THR   A 1 174 ? 65.418 12.122  7.616   1.00 15.99 ?  174 THR   A C    1 
ATOM   2834 O  O    . THR   A 1 174 ? 64.931 11.580  6.634   1.00 16.83 ?  174 THR   A O    1 
ATOM   2835 C  CB   . THR   A 1 174 ? 67.445 10.748  8.105   1.00 23.13 ?  174 THR   A CB   1 
ATOM   2836 O  OG1  . THR   A 1 174 ? 66.694 10.195  9.189   1.00 25.23 ?  174 THR   A OG1  1 
ATOM   2837 C  CG2  . THR   A 1 174 ? 68.918 10.768  8.449   1.00 26.14 ?  174 THR   A CG2  1 
ATOM   2838 H  H    . THR   A 1 174 ? 67.337 12.758  9.672   1.00 17.38 ?  174 THR   A H    1 
ATOM   2839 H  HA   . THR   A 1 174 ? 67.348 12.463  6.971   1.00 17.61 ?  174 THR   A HA   1 
ATOM   2840 H  HB   . THR   A 1 174 ? 67.324 10.198  7.316   1.00 22.64 ?  174 THR   A HB   1 
ATOM   2841 H  HG1  . THR   A 1 174 ? 66.992 9.406   9.326   0.00 22.68 ?  174 THR   A HG1  1 
ATOM   2842 H  HG21 . THR   A 1 174 ? 69.406 11.243  7.771   1.00 26.07 ?  174 THR   A HG21 1 
ATOM   2843 H  HG22 . THR   A 1 174 ? 69.253 9.870   8.502   1.00 24.18 ?  174 THR   A HG22 1 
ATOM   2844 H  HG23 . THR   A 1 174 ? 69.058 11.200  9.295   1.00 24.84 ?  174 THR   A HG23 1 
ATOM   2845 N  N    . LYS   A 1 175 ? 64.673 12.682  8.552   1.00 14.33 ?  175 LYS   A N    1 
ATOM   2846 C  CA   . LYS   A 1 175 ? 63.213 12.632  8.528   1.00 13.39 ?  175 LYS   A CA   1 
ATOM   2847 C  C    . LYS   A 1 175 ? 62.661 13.212  7.246   1.00 13.26 ?  175 LYS   A C    1 
ATOM   2848 O  O    . LYS   A 1 175 ? 63.014 14.306  6.849   1.00 12.42 ?  175 LYS   A O    1 
ATOM   2849 C  CB   . LYS   A 1 175 ? 62.647 13.433  9.699   1.00 15.38 ?  175 LYS   A CB   1 
ATOM   2850 C  CG   . LYS   A 1 175 ? 62.953 12.810  11.036  1.00 17.18 ?  175 LYS   A CG   1 
ATOM   2851 C  CD   . LYS   A 1 175 ? 62.297 13.570  12.164  1.00 19.01 ?  175 LYS   A CD   1 
ATOM   2852 C  CE   . LYS   A 1 175 ? 62.615 12.905  13.503  1.00 23.63 ?  175 LYS   A CE   1 
ATOM   2853 N  NZ   . LYS   A 1 175 ? 61.916 13.553  14.643  1.00 27.20 ?  175 LYS   A NZ   1 
ATOM   2854 H  H    . LYS   A 1 175 ? 64.991 13.109  9.225   1.00 14.32 ?  175 LYS   A H    1 
ATOM   2855 H  HA   . LYS   A 1 175 ? 62.921 11.705  8.617   1.00 13.25 ?  175 LYS   A HA   1 
ATOM   2856 H  HB2  . LYS   A 1 175 ? 63.031 14.323  9.689   1.00 14.96 ?  175 LYS   A HB2  1 
ATOM   2857 H  HB3  . LYS   A 1 175 ? 61.683 13.490  9.609   1.00 14.98 ?  175 LYS   A HB3  1 
ATOM   2858 H  HG2  . LYS   A 1 175 ? 62.618 11.899  11.049  1.00 16.85 ?  175 LYS   A HG2  1 
ATOM   2859 H  HG3  . LYS   A 1 175 ? 63.911 12.817  11.187  1.00 17.17 ?  175 LYS   A HG3  1 
ATOM   2860 H  HD2  . LYS   A 1 175 ? 62.644 14.475  12.180  1.00 19.27 ?  175 LYS   A HD2  1 
ATOM   2861 H  HD3  . LYS   A 1 175 ? 61.335 13.575  12.040  1.00 18.90 ?  175 LYS   A HD3  1 
ATOM   2862 H  HE2  . LYS   A 1 175 ? 62.335 11.976  13.469  1.00 23.02 ?  175 LYS   A HE2  1 
ATOM   2863 H  HE3  . LYS   A 1 175 ? 63.569 12.959  13.665  1.00 22.94 ?  175 LYS   A HE3  1 
ATOM   2864 H  HZ1  . LYS   A 1 175 ? 62.193 14.469  14.720  1.00 25.85 ?  175 LYS   A HZ1  1 
ATOM   2865 H  HZ2  . LYS   A 1 175 ? 62.126 13.094  15.460  1.00 26.39 ?  175 LYS   A HZ2  1 
ATOM   2866 H  HZ3  . LYS   A 1 175 ? 60.966 13.525  14.505  1.00 25.88 ?  175 LYS   A HZ3  1 
ATOM   2867 N  N    . SER   A 1 176 ? 61.780 12.479  6.572   1.00 11.72 ?  176 SER   A N    1 
ATOM   2868 C  CA   . SER   A 1 176 ? 61.238 12.983  5.308   1.00 12.14 ?  176 SER   A CA   1 
ATOM   2869 C  C    . SER   A 1 176 ? 60.092 12.109  4.832   1.00 11.78 ?  176 SER   A C    1 
ATOM   2870 O  O    . SER   A 1 176 ? 59.994 10.945  5.185   1.00 12.09 ?  176 SER   A O    1 
ATOM   2871 C  CB   . SER   A 1 176 ? 62.327 12.994  4.232   1.00 12.87 ?  176 SER   A CB   1 
ATOM   2872 O  OG   . SER   A 1 176 ? 62.008 13.874  3.179   1.00 16.71 ?  176 SER   A OG   1 
ATOM   2873 H  H    . SER   A 1 176 ? 61.486 11.708  6.816   1.00 12.04 ?  176 SER   A H    1 
ATOM   2874 H  HA   . SER   A 1 176 ? 60.902 13.896  5.427   1.00 12.25 ?  176 SER   A HA   1 
ATOM   2875 H  HB2  . SER   A 1 176 ? 63.171 13.272  4.616   1.00 13.02 ?  176 SER   A HB2  1 
ATOM   2876 H  HB3  . SER   A 1 176 ? 62.418 12.099  3.869   1.00 13.20 ?  176 SER   A HB3  1 
ATOM   2877 H  HG   . SER   A 1 176 ? 62.603 13.867  2.619   0.00 15.48 ?  176 SER   A HG   1 
ATOM   2878 N  N    . ALA   A 1 177 ? 59.249 12.684  3.981   1.00 12.60 ?  177 ALA   A N    1 
ATOM   2879 C  CA   . ALA   A 1 177 ? 58.387 11.877  3.135   1.00 12.20 ?  177 ALA   A CA   1 
ATOM   2880 C  C    . ALA   A 1 177 ? 59.231 11.297  2.007   1.00 11.16 ?  177 ALA   A C    1 
ATOM   2881 O  O    . ALA   A 1 177 ? 60.281 11.845  1.641   1.00 12.20 ?  177 ALA   A O    1 
ATOM   2882 C  CB   . ALA   A 1 177 ? 57.277 12.731  2.558   1.00 13.50 ?  177 ALA   A CB   1 
ATOM   2883 H  H    . ALA   A 1 177 ? 59.161 13.534  3.877   1.00 12.32 ?  177 ALA   A H    1 
ATOM   2884 H  HA   . ALA   A 1 177 ? 57.985 11.144  3.647   1.00 12.46 ?  177 ALA   A HA   1 
ATOM   2885 H  HB1  . ALA   A 1 177 ? 56.863 13.227  3.270   1.00 12.97 ?  177 ALA   A HB1  1 
ATOM   2886 H  HB2  . ALA   A 1 177 ? 56.629 12.157  2.141   1.00 13.23 ?  177 ALA   A HB2  1 
ATOM   2887 H  HB3  . ALA   A 1 177 ? 57.643 13.334  1.907   1.00 13.71 ?  177 ALA   A HB3  1 
ATOM   2888 N  N    . PHE   A 1 178 ? 58.787 10.200  1.410   1.00 10.43 ?  178 PHE   A N    1 
ATOM   2889 C  CA   . PHE   A 1 178 ? 59.537 9.625   0.289   1.00 10.34 ?  178 PHE   A CA   1 
ATOM   2890 C  C    . PHE   A 1 178 ? 58.604 8.895   -0.672  1.00 10.60 ?  178 PHE   A C    1 
ATOM   2891 O  O    . PHE   A 1 178 ? 57.378 9.037   -0.608  1.00 10.76 ?  178 PHE   A O    1 
ATOM   2892 C  CB   . PHE   A 1 178 ? 60.708 8.773   0.849   1.00 10.84 ?  178 PHE   A CB   1 
ATOM   2893 C  CG   . PHE   A 1 178 ? 61.762 8.404   -0.174  1.00 11.20 ?  178 PHE   A CG   1 
ATOM   2894 C  CD1  . PHE   A 1 178 ? 62.328 9.348   -1.014  1.00 12.08 ?  178 PHE   A CD1  1 
ATOM   2895 C  CD2  . PHE   A 1 178 ? 62.193 7.083   -0.286  1.00 12.30 ?  178 PHE   A CD2  1 
ATOM   2896 C  CE1  . PHE   A 1 178 ? 63.261 8.978   -1.970  1.00 12.77 ?  178 PHE   A CE1  1 
ATOM   2897 C  CE2  . PHE   A 1 178 ? 63.135 6.714   -1.229  1.00 14.26 ?  178 PHE   A CE2  1 
ATOM   2898 C  CZ   . PHE   A 1 178 ? 63.660 7.660   -2.076  1.00 14.35 ?  178 PHE   A CZ   1 
ATOM   2899 H  H    . PHE   A 1 178 ? 58.072 9.774   1.627   1.00 10.29 ?  178 PHE   A H    1 
ATOM   2900 H  HA   . PHE   A 1 178 ? 59.928 10.359  -0.227  1.00 10.65 ?  178 PHE   A HA   1 
ATOM   2901 H  HB2  . PHE   A 1 178 ? 61.150 9.271   1.554   1.00 11.23 ?  178 PHE   A HB2  1 
ATOM   2902 H  HB3  . PHE   A 1 178 ? 60.343 7.951   1.213   1.00 10.85 ?  178 PHE   A HB3  1 
ATOM   2903 H  HD1  . PHE   A 1 178 ? 62.049 10.234  -0.969  1.00 11.95 ?  178 PHE   A HD1  1 
ATOM   2904 H  HD2  . PHE   A 1 178 ? 61.826 6.434   0.268   1.00 12.21 ?  178 PHE   A HD2  1 
ATOM   2905 H  HE1  . PHE   A 1 178 ? 63.629 9.619   -2.532  1.00 12.47 ?  178 PHE   A HE1  1 
ATOM   2906 H  HE2  . PHE   A 1 178 ? 63.403 5.827   -1.296  1.00 13.65 ?  178 PHE   A HE2  1 
ATOM   2907 H  HZ   . PHE   A 1 178 ? 64.307 7.418   -2.697  1.00 13.68 ?  178 PHE   A HZ   1 
ATOM   2908 N  N    . LYS   A 1 179 ? 59.165 8.157   -1.614  1.00 10.94 ?  179 LYS   A N    1 
ATOM   2909 C  CA   . LYS   A 1 179 ? 58.409 7.433   -2.612  1.00 10.67 ?  179 LYS   A CA   1 
ATOM   2910 C  C    . LYS   A 1 179 ? 57.332 6.585   -1.961  1.00 10.46 ?  179 LYS   A C    1 
ATOM   2911 O  O    . LYS   A 1 179 ? 57.590 5.861   -1.005  1.00 10.79 ?  179 LYS   A O    1 
ATOM   2912 C  CB   . LYS   A 1 179 ? 59.346 6.510   -3.402  1.00 12.41 ?  179 LYS   A CB   1 
ATOM   2913 C  CG   . LYS   A 1 179 ? 60.446 7.230   -4.169  1.00 13.83 ?  179 LYS   A CG   1 
ATOM   2914 C  CD   . LYS   A 1 179 ? 61.331 6.208   -4.839  1.00 14.89 ?  179 LYS   A CD   1 
ATOM   2915 C  CE   . LYS   A 1 179 ? 62.322 6.866   -5.776  1.00 16.90 ?  179 LYS   A CE   1 
ATOM   2916 N  NZ   . LYS   A 1 179 ? 63.262 5.880   -6.368  1.00 20.74 ?  179 LYS   A NZ   1 
ATOM   2917 H  H    . LYS   A 1 179 ? 60.007 8.061   -1.700  1.00 10.91 ?  179 LYS   A H    1 
ATOM   2918 H  HA   . LYS   A 1 179 ? 57.994 8.067   -3.234  1.00 10.98 ?  179 LYS   A HA   1 
ATOM   2919 H  HB2  . LYS   A 1 179 ? 59.772 5.897   -2.782  1.00 12.33 ?  179 LYS   A HB2  1 
ATOM   2920 H  HB3  . LYS   A 1 179 ? 58.819 6.009   -4.045  1.00 12.58 ?  179 LYS   A HB3  1 
ATOM   2921 H  HG2  . LYS   A 1 179 ? 60.051 7.793   -4.853  1.00 13.84 ?  179 LYS   A HG2  1 
ATOM   2922 H  HG3  . LYS   A 1 179 ? 60.992 7.755   -3.566  1.00 13.52 ?  179 LYS   A HG3  1 
ATOM   2923 H  HD2  . LYS   A 1 179 ? 61.829 5.724   -4.162  1.00 15.24 ?  179 LYS   A HD2  1 
ATOM   2924 H  HD3  . LYS   A 1 179 ? 60.783 5.597   -5.355  1.00 14.62 ?  179 LYS   A HD3  1 
ATOM   2925 H  HE2  . LYS   A 1 179 ? 61.840 7.296   -6.500  1.00 17.59 ?  179 LYS   A HE2  1 
ATOM   2926 H  HE3  . LYS   A 1 179 ? 62.841 7.521   -5.284  1.00 17.03 ?  179 LYS   A HE3  1 
ATOM   2927 H  HZ1  . LYS   A 1 179 ? 63.767 5.451   -5.673  1.00 20.62 ?  179 LYS   A HZ1  1 
ATOM   2928 H  HZ2  . LYS   A 1 179 ? 63.868 6.323   -6.966  1.00 19.84 ?  179 LYS   A HZ2  1 
ATOM   2929 H  HZ3  . LYS   A 1 179 ? 62.774 5.213   -6.856  1.00 20.62 ?  179 LYS   A HZ3  1 
ATOM   2930 N  N    . GLY   A 1 180 ? 56.122 6.690   -2.481  1.00 9.38  ?  180 GLY   A N    1 
ATOM   2931 C  CA   . GLY   A 1 180 ? 54.959 6.022   -1.920  1.00 8.87  ?  180 GLY   A CA   1 
ATOM   2932 C  C    . GLY   A 1 180 ? 54.129 6.910   -1.005  1.00 8.84  ?  180 GLY   A C    1 
ATOM   2933 O  O    . GLY   A 1 180 ? 52.977 6.591   -0.738  1.00 9.38  ?  180 GLY   A O    1 
ATOM   2934 H  H    . GLY   A 1 180 ? 55.938 7.155   -3.181  1.00 9.55  ?  180 GLY   A H    1 
ATOM   2935 H  HA2  . GLY   A 1 180 ? 54.389 5.727   -2.646  1.00 8.91  ?  180 GLY   A HA2  1 
ATOM   2936 H  HA3  . GLY   A 1 180 ? 55.232 5.238   -1.420  1.00 8.98  ?  180 GLY   A HA3  1 
ATOM   2937 N  N    . ASP   A 1 181 ? 54.693 8.022   -0.570  1.00 8.24  ?  181 ASP   A N    1 
ATOM   2938 C  CA   . ASP   A 1 181 ? 54.005 8.997   0.249   1.00 8.21  ?  181 ASP   A CA   1 
ATOM   2939 C  C    . ASP   A 1 181 ? 53.348 10.105  -0.537  1.00 7.61  ?  181 ASP   A C    1 
ATOM   2940 O  O    . ASP   A 1 181 ? 52.606 10.892  0.033   1.00 8.01  ?  181 ASP   A O    1 
ATOM   2941 C  CB   . ASP   A 1 181 ? 54.935 9.608   1.288   1.00 8.77  ?  181 ASP   A CB   1 
ATOM   2942 C  CG   . ASP   A 1 181 ? 55.476 8.593   2.259   1.00 8.98  ?  181 ASP   A CG   1 
ATOM   2943 O  OD1  . ASP   A 1 181 ? 54.694 7.732   2.720   1.00 9.35  ?  181 ASP   A OD1  1 
ATOM   2944 O  OD2  . ASP   A 1 181 ? 56.670 8.717   2.627   1.00 9.96  ?  181 ASP   A OD2  1 
ATOM   2945 H  H    . ASP   A 1 181 ? 55.504 8.248   -0.738  1.00 8.53  ?  181 ASP   A H    1 
ATOM   2946 H  HA   . ASP   A 1 181 ? 53.290 8.545   0.743   1.00 8.23  ?  181 ASP   A HA   1 
ATOM   2947 H  HB2  . ASP   A 1 181 ? 55.680 10.035  0.841   1.00 8.89  ?  181 ASP   A HB2  1 
ATOM   2948 H  HB3  . ASP   A 1 181 ? 54.443 10.267  1.802   1.00 8.77  ?  181 ASP   A HB3  1 
ATOM   2949 N  N    . SER   A 1 182 ? 53.652 10.237  -1.842  1.00 7.85  ?  182 SER   A N    1 
ATOM   2950 C  CA   . SER   A 1 182 ? 53.097 11.318  -2.641  1.00 8.15  ?  182 SER   A CA   1 
ATOM   2951 C  C    . SER   A 1 182 ? 51.595 11.326  -2.547  1.00 7.21  ?  182 SER   A C    1 
ATOM   2952 O  O    . SER   A 1 182 ? 50.950 10.282  -2.499  1.00 8.65  ?  182 SER   A O    1 
ATOM   2953 C  CB   . SER   A 1 182 ? 53.525 11.274  -4.093  1.00 9.52  ?  182 SER   A CB   1 
ATOM   2954 O  OG   . SER   A 1 182 ? 54.920 11.461  -4.228  1.00 10.06 ?  182 SER   A OG   1 
ATOM   2955 H  H    . SER   A 1 182 ? 54.177 9.714   -2.279  1.00 7.76  ?  182 SER   A H    1 
ATOM   2956 H  HA   . SER   A 1 182 ? 53.422 12.164  -2.279  1.00 7.98  ?  182 SER   A HA   1 
ATOM   2957 H  HB2  . SER   A 1 182 ? 53.278 10.418  -4.472  1.00 9.47  ?  182 SER   A HB2  1 
ATOM   2958 H  HB3  . SER   A 1 182 ? 53.067 11.985  -4.568  1.00 9.31  ?  182 SER   A HB3  1 
ATOM   2959 H  HG   . SER   A 1 182 ? 55.132 11.430  -5.020  0.00 9.56  ?  182 SER   A HG   1 
ATOM   2960 N  N    . GLY   A 1 183 ? 51.015 12.514  -2.445  1.00 7.27  ?  183 GLY   A N    1 
ATOM   2961 C  CA   . GLY   A 1 183 ? 49.595 12.663  -2.314  1.00 7.66  ?  183 GLY   A CA   1 
ATOM   2962 C  C    . GLY   A 1 183 ? 49.075 12.754  -0.894  1.00 7.45  ?  183 GLY   A C    1 
ATOM   2963 O  O    . GLY   A 1 183 ? 47.944 13.165  -0.684  1.00 8.53  ?  183 GLY   A O    1 
ATOM   2964 H  H    . GLY   A 1 183 ? 51.439 13.263  -2.451  1.00 7.14  ?  183 GLY   A H    1 
ATOM   2965 H  HA2  . GLY   A 1 183 ? 49.328 13.472  -2.776  1.00 7.60  ?  183 GLY   A HA2  1 
ATOM   2966 H  HA3  . GLY   A 1 183 ? 49.149 11.922  -2.749  1.00 7.62  ?  183 GLY   A HA3  1 
ATOM   2967 N  N    . GLY   A 1 184 ? 49.866 12.357  0.096   1.00 7.65  ?  184 GLY   A N    1 
ATOM   2968 C  CA   . GLY   A 1 184 ? 49.436 12.431  1.475   1.00 7.94  ?  184 GLY   A CA   1 
ATOM   2969 C  C    . GLY   A 1 184 ? 49.432 13.851  1.980   1.00 8.27  ?  184 GLY   A C    1 
ATOM   2970 O  O    . GLY   A 1 184 ? 50.167 14.718  1.460   1.00 9.13  ?  184 GLY   A O    1 
ATOM   2971 H  H    . GLY   A 1 184 ? 50.658 12.038  -0.001  1.00 7.70  ?  184 GLY   A H    1 
ATOM   2972 H  HA2  . GLY   A 1 184 ? 48.547 12.053  1.553   1.00 8.02  ?  184 GLY   A HA2  1 
ATOM   2973 H  HA3  . GLY   A 1 184 ? 50.039 11.916  2.031   1.00 8.01  ?  184 GLY   A HA3  1 
ATOM   2974 N  N    . PRO   A 1 185 ? 48.675 14.110  3.034   1.00 8.67  ?  185 PRO   A N    1 
ATOM   2975 C  CA   . PRO   A 1 185 ? 48.565 15.448  3.584   1.00 9.00  ?  185 PRO   A CA   1 
ATOM   2976 C  C    . PRO   A 1 185 ? 49.699 15.784  4.544   1.00 9.70  ?  185 PRO   A C    1 
ATOM   2977 O  O    . PRO   A 1 185 ? 50.213 14.925  5.247   1.00 10.47 ?  185 PRO   A O    1 
ATOM   2978 C  CB   . PRO   A 1 185 ? 47.251 15.385  4.351   1.00 10.05 ?  185 PRO   A CB   1 
ATOM   2979 C  CG   . PRO   A 1 185 ? 47.215 13.983  4.848   1.00 10.35 ?  185 PRO   A CG   1 
ATOM   2980 C  CD   . PRO   A 1 185 ? 47.817 13.143  3.743   1.00 9.51  ?  185 PRO   A CD   1 
ATOM   2981 H  HA   . PRO   A 1 185 ? 48.500 16.119  2.874   1.00 9.19  ?  185 PRO   A HA   1 
ATOM   2982 H  HB2  . PRO   A 1 185 ? 47.260 16.016  5.089   1.00 9.49  ?  185 PRO   A HB2  1 
ATOM   2983 H  HB3  . PRO   A 1 185 ? 46.508 15.563  3.755   1.00 10.01 ?  185 PRO   A HB3  1 
ATOM   2984 H  HG2  . PRO   A 1 185 ? 47.742 13.911  5.660   1.00 10.47 ?  185 PRO   A HG2  1 
ATOM   2985 H  HG3  . PRO   A 1 185 ? 46.296 13.721  5.014   1.00 9.94  ?  185 PRO   A HG3  1 
ATOM   2986 H  HD2  . PRO   A 1 185 ? 48.353 12.426  4.114   1.00 9.79  ?  185 PRO   A HD2  1 
ATOM   2987 H  HD3  . PRO   A 1 185 ? 47.119 12.808  3.158   1.00 9.50  ?  185 PRO   A HD3  1 
ATOM   2988 N  N    . LEU   A 1 186 ? 50.061 17.059  4.549   1.00 9.63  ?  186 LEU   A N    1 
ATOM   2989 C  CA   . LEU   A 1 186 ? 50.890 17.665  5.601   1.00 9.91  ?  186 LEU   A CA   1 
ATOM   2990 C  C    . LEU   A 1 186 ? 49.960 18.484  6.466   1.00 9.79  ?  186 LEU   A C    1 
ATOM   2991 O  O    . LEU   A 1 186 ? 49.301 19.388  5.970   1.00 11.10 ?  186 LEU   A O    1 
ATOM   2992 C  CB   . LEU   A 1 186 ? 51.900 18.590  4.955   1.00 10.50 ?  186 LEU   A CB   1 
ATOM   2993 C  CG   . LEU   A 1 186 ? 52.882 19.255  5.919   1.00 11.44 ?  186 LEU   A CG   1 
ATOM   2994 C  CD1  . LEU   A 1 186 ? 53.901 18.251  6.446   1.00 12.65 ?  186 LEU   A CD1  1 
ATOM   2995 C  CD2  . LEU   A 1 186 ? 53.599 20.386  5.211   1.00 13.57 ?  186 LEU   A CD2  1 
ATOM   2996 H  H    . LEU   A 1 186 ? 49.834 17.620  3.938   1.00 10.01 ?  186 LEU   A H    1 
ATOM   2997 H  HA   . LEU   A 1 186 ? 51.351 16.985  6.132   1.00 10.14 ?  186 LEU   A HA   1 
ATOM   2998 H  HB2  . LEU   A 1 186 ? 52.422 18.074  4.321   1.00 10.30 ?  186 LEU   A HB2  1 
ATOM   2999 H  HB3  . LEU   A 1 186 ? 51.427 19.293  4.483   1.00 11.00 ?  186 LEU   A HB3  1 
ATOM   3000 H  HG   . LEU   A 1 186 ? 52.403 19.629  6.675   1.00 11.29 ?  186 LEU   A HG   1 
ATOM   3001 H  HD11 . LEU   A 1 186 ? 53.446 17.587  6.968   1.00 12.15 ?  186 LEU   A HD11 1 
ATOM   3002 H  HD12 . LEU   A 1 186 ? 54.541 18.713  6.992   1.00 11.98 ?  186 LEU   A HD12 1 
ATOM   3003 H  HD13 . LEU   A 1 186 ? 54.344 17.837  5.702   1.00 12.21 ?  186 LEU   A HD13 1 
ATOM   3004 H  HD21 . LEU   A 1 186 ? 54.013 20.043  4.416   1.00 13.06 ?  186 LEU   A HD21 1 
ATOM   3005 H  HD22 . LEU   A 1 186 ? 54.266 20.746  5.799   1.00 13.12 ?  186 LEU   A HD22 1 
ATOM   3006 H  HD23 . LEU   A 1 186 ? 52.961 21.066  4.982   1.00 13.51 ?  186 LEU   A HD23 1 
ATOM   3007 N  N    . LEU   A 1 187 ? 49.862 18.112  7.737   1.00 10.37 ?  187 LEU   A N    1 
ATOM   3008 C  CA   A LEU   A 1 187 ? 48.985 18.834  8.655   0.50 11.14 ?  187 LEU   A CA   1 
ATOM   3009 C  CA   B LEU   A 1 187 ? 48.978 18.741  8.715   0.50 11.47 ?  187 LEU   A CA   1 
ATOM   3010 C  C    . LEU   A 1 187 ? 49.811 19.673  9.584   1.00 12.04 ?  187 LEU   A C    1 
ATOM   3011 O  O    . LEU   A 1 187 ? 50.791 19.227  10.147  1.00 12.97 ?  187 LEU   A O    1 
ATOM   3012 C  CB   A LEU   A 1 187 ? 48.093 17.918  9.476   0.50 11.75 ?  187 LEU   A CB   1 
ATOM   3013 C  CB   B LEU   A 1 187 ? 48.333 17.668  9.615   0.50 12.49 ?  187 LEU   A CB   1 
ATOM   3014 C  CG   A LEU   A 1 187 ? 46.980 17.206  8.730   0.50 11.75 ?  187 LEU   A CG   1 
ATOM   3015 C  CG   B LEU   A 1 187 ? 47.425 16.567  9.022   0.50 12.87 ?  187 LEU   A CG   1 
ATOM   3016 C  CD1  A LEU   A 1 187 ? 47.531 15.988  8.016   0.50 11.02 ?  187 LEU   A CD1  1 
ATOM   3017 C  CD1  B LEU   A 1 187 ? 46.489 17.110  7.958   0.50 13.22 ?  187 LEU   A CD1  1 
ATOM   3018 C  CD2  A LEU   A 1 187 ? 45.907 16.803  9.714   0.50 12.90 ?  187 LEU   A CD2  1 
ATOM   3019 C  CD2  B LEU   A 1 187 ? 48.207 15.400  8.445   0.50 13.08 ?  187 LEU   A CD2  1 
ATOM   3020 H  H    . LEU   A 1 187 ? 50.306 17.460  8.082   1.00 10.89 ?  187 LEU   A H    1 
ATOM   3021 H  HA   A LEU   A 1 187 ? 48.395 19.420  8.143   0.50 11.45 ?  187 LEU   A HA   1 
ATOM   3022 H  HA   B LEU   A 1 187 ? 48.269 19.244  8.267   0.50 11.75 ?  187 LEU   A HA   1 
ATOM   3023 H  HB2  A LEU   A 1 187 ? 48.651 17.234  9.879   0.50 12.31 ?  187 LEU   A HB2  1 
ATOM   3024 H  HB2  B LEU   A 1 187 ? 49.051 17.205  10.074  0.50 12.80 ?  187 LEU   A HB2  1 
ATOM   3025 H  HB3  A LEU   A 1 187 ? 47.674 18.443  10.176  0.50 11.56 ?  187 LEU   A HB3  1 
ATOM   3026 H  HB3  B LEU   A 1 187 ? 47.796 18.133  10.276  0.50 12.10 ?  187 LEU   A HB3  1 
ATOM   3027 H  HG   A LEU   A 1 187 ? 46.592 17.804  8.073   0.50 11.51 ?  187 LEU   A HG   1 
ATOM   3028 H  HG   B LEU   A 1 187 ? 46.872 16.215  9.738   0.50 12.70 ?  187 LEU   A HG   1 
ATOM   3029 H  HD11 A LEU   A 1 187 ? 48.123 16.272  7.315   0.50 10.87 ?  187 LEU   A HD11 1 
ATOM   3030 H  HD11 B LEU   A 1 187 ? 45.935 17.790  8.348   0.50 13.44 ?  187 LEU   A HD11 1 
ATOM   3031 H  HD12 A LEU   A 1 187 ? 46.799 15.492  7.641   0.50 10.90 ?  187 LEU   A HD12 1 
ATOM   3032 H  HD12 B LEU   A 1 187 ? 45.943 16.392  7.627   0.50 12.98 ?  187 LEU   A HD12 1 
ATOM   3033 H  HD13 A LEU   A 1 187 ? 48.006 15.443  8.648   0.50 11.31 ?  187 LEU   A HD13 1 
ATOM   3034 H  HD13 B LEU   A 1 187 ? 47.011 17.482  7.244   0.50 13.15 ?  187 LEU   A HD13 1 
ATOM   3035 H  HD21 A LEU   A 1 187 ? 46.289 16.215  10.369  0.50 12.98 ?  187 LEU   A HD21 1 
ATOM   3036 H  HD21 B LEU   A 1 187 ? 48.719 15.705  7.693   0.50 12.83 ?  187 LEU   A HD21 1 
ATOM   3037 H  HD22 A LEU   A 1 187 ? 45.204 16.353  9.240   0.50 13.29 ?  187 LEU   A HD22 1 
ATOM   3038 H  HD22 B LEU   A 1 187 ? 47.588 14.721  8.166   0.50 12.82 ?  187 LEU   A HD22 1 
ATOM   3039 H  HD23 A LEU   A 1 187 ? 45.563 17.590  10.140  0.50 12.81 ?  187 LEU   A HD23 1 
ATOM   3040 H  HD23 B LEU   A 1 187 ? 48.792 15.052  9.122   0.50 13.00 ?  187 LEU   A HD23 1 
ATOM   3041 N  N    . CYS   A 1 188 ? 49.384 20.913  9.713   1.00 13.35 ?  188 CYS   A N    1 
ATOM   3042 C  CA   . CYS   A 1 188 ? 50.007 21.855  10.626  1.00 14.85 ?  188 CYS   A CA   1 
ATOM   3043 C  C    . CYS   A 1 188 ? 48.915 22.262  11.604  1.00 16.74 ?  188 CYS   A C    1 
ATOM   3044 O  O    . CYS   A 1 188 ? 47.904 22.812  11.198  1.00 16.58 ?  188 CYS   A O    1 
ATOM   3045 C  CB   . CYS   A 1 188 ? 50.520 23.060  9.853   1.00 16.32 ?  188 CYS   A CB   1 
ATOM   3046 S  SG   . CYS   A 1 188 ? 51.606 22.651  8.464   1.00 16.81 ?  188 CYS   A SG   1 
ATOM   3047 H  H    . CYS   A 1 188 ? 48.724 21.251  9.275   1.00 13.51 ?  188 CYS   A H    1 
ATOM   3048 H  HA   . CYS   A 1 188 ? 50.752 21.447  11.114  1.00 15.31 ?  188 CYS   A HA   1 
ATOM   3049 H  HB2  . CYS   A 1 188 ? 49.763 23.549  9.494   1.00 16.52 ?  188 CYS   A HB2  1 
ATOM   3050 H  HB3  . CYS   A 1 188 ? 51.011 23.626  10.461  1.00 16.01 ?  188 CYS   A HB3  1 
ATOM   3051 H  HG   . CYS   A 1 188 ? 50.928 21.890  7.589   1.00 16.79 ?  188 CYS   A HG   1 
ATOM   3052 N  N    . ALA   A 1 189 ? 49.109 21.931  12.875  1.00 18.42 ?  189 ALA   A N    1 
ATOM   3053 C  CA   . ALA   A 1 189 ? 48.091 22.203  13.904  1.00 20.81 ?  189 ALA   A CA   1 
ATOM   3054 C  C    . ALA   A 1 189 ? 46.739 21.600  13.507  1.00 21.11 ?  189 ALA   A C    1 
ATOM   3055 O  O    . ALA   A 1 189 ? 45.677 22.199  13.702  1.00 24.34 ?  189 ALA   A O    1 
ATOM   3056 C  CB   . ALA   A 1 189 ? 47.958 23.702  14.156  1.00 23.28 ?  189 ALA   A CB   1 
ATOM   3057 H  H    . ALA   A 1 189 ? 49.817 21.548  13.179  1.00 18.69 ?  189 ALA   A H    1 
ATOM   3058 H  HA   . ALA   A 1 189 ? 48.372 21.782  14.744  1.00 21.51 ?  189 ALA   A HA   1 
ATOM   3059 H  HB1  . ALA   A 1 189 ? 48.831 24.070  14.313  1.00 22.70 ?  189 ALA   A HB1  1 
ATOM   3060 H  HB2  . ALA   A 1 189 ? 47.403 23.840  14.928  1.00 22.14 ?  189 ALA   A HB2  1 
ATOM   3061 H  HB3  . ALA   A 1 189 ? 47.560 24.121  13.390  1.00 22.87 ?  189 ALA   A HB3  1 
ATOM   3062 N  N    . GLY   A 1 190 ? 46.773 20.407  12.919  1.00 18.93 ?  190 GLY   A N    1 
ATOM   3063 C  CA   . GLY   A 1 190 ? 45.544 19.695  12.563  1.00 19.52 ?  190 GLY   A CA   1 
ATOM   3064 C  C    . GLY   A 1 190 ? 44.842 20.120  11.292  1.00 19.25 ?  190 GLY   A C    1 
ATOM   3065 O  O    . GLY   A 1 190 ? 43.778 19.589  10.972  1.00 20.56 ?  190 GLY   A O    1 
ATOM   3066 H  H    . GLY   A 1 190 ? 47.491 19.980  12.718  1.00 19.31 ?  190 GLY   A H    1 
ATOM   3067 H  HA2  . GLY   A 1 190 ? 45.758 18.753  12.471  1.00 19.27 ?  190 GLY   A HA2  1 
ATOM   3068 H  HA3  . GLY   A 1 190 ? 44.909 19.777  13.291  1.00 18.39 ?  190 GLY   A HA3  1 
ATOM   3069 N  N    . VAL   A 1 191 ? 45.454 21.035  10.533  1.00 17.93 ?  191 VAL   A N    1 
ATOM   3070 C  CA   . VAL   A 1 191 ? 44.868 21.533  9.292   1.00 17.97 ?  191 VAL   A CA   1 
ATOM   3071 C  C    . VAL   A 1 191 ? 45.774 21.136  8.125   1.00 14.91 ?  191 VAL   A C    1 
ATOM   3072 O  O    . VAL   A 1 191 ? 46.987 21.349  8.195   1.00 14.59 ?  191 VAL   A O    1 
ATOM   3073 C  CB   . VAL   A 1 191 ? 44.702 23.066  9.340   1.00 20.30 ?  191 VAL   A CB   1 
ATOM   3074 C  CG1  . VAL   A 1 191 ? 44.196 23.610  8.006   1.00 21.79 ?  191 VAL   A CG1  1 
ATOM   3075 C  CG2  . VAL   A 1 191 ? 43.777 23.440  10.489  1.00 22.34 ?  191 VAL   A CG2  1 
ATOM   3076 H  H    . VAL   A 1 191 ? 46.218 21.385  10.711  1.00 18.34 ?  191 VAL   A H    1 
ATOM   3077 H  HA   . VAL   A 1 191 ? 43.984 21.139  9.146   1.00 18.23 ?  191 VAL   A HA   1 
ATOM   3078 H  HB   . VAL   A 1 191 ? 45.576 23.472  9.516   1.00 20.27 ?  191 VAL   A HB   1 
ATOM   3079 H  HG11 . VAL   A 1 191 ? 44.900 23.571  7.353   1.00 20.95 ?  191 VAL   A HG11 1 
ATOM   3080 H  HG12 . VAL   A 1 191 ? 43.921 24.523  8.128   1.00 20.93 ?  191 VAL   A HG12 1 
ATOM   3081 H  HG13 . VAL   A 1 191 ? 43.447 23.080  7.716   1.00 21.62 ?  191 VAL   A HG13 1 
ATOM   3082 H  HG21 . VAL   A 1 191 ? 42.951 22.960  10.393  1.00 22.69 ?  191 VAL   A HG21 1 
ATOM   3083 H  HG22 . VAL   A 1 191 ? 43.611 24.385  10.460  1.00 21.62 ?  191 VAL   A HG22 1 
ATOM   3084 H  HG23 . VAL   A 1 191 ? 44.196 23.209  11.321  1.00 22.09 ?  191 VAL   A HG23 1 
ATOM   3085 N  N    . ALA   A 1 192 ? 45.197 20.583  7.058   1.00 15.02 ?  192 ALA   A N    1 
ATOM   3086 C  CA   . ALA   A 1 192 ? 45.972 20.175  5.881   1.00 13.70 ?  192 ALA   A CA   1 
ATOM   3087 C  C    . ALA   A 1 192 ? 46.438 21.410  5.137   1.00 14.41 ?  192 ALA   A C    1 
ATOM   3088 O  O    . ALA   A 1 192 ? 45.636 22.203  4.637   1.00 16.64 ?  192 ALA   A O    1 
ATOM   3089 C  CB   . ALA   A 1 192 ? 45.155 19.288  4.959   1.00 16.52 ?  192 ALA   A CB   1 
ATOM   3090 H  H    . ALA   A 1 192 ? 44.353 20.433  6.990   1.00 14.72 ?  192 ALA   A H    1 
ATOM   3091 H  HA   . ALA   A 1 192 ? 46.751 19.661  6.174   1.00 14.30 ?  192 ALA   A HA   1 
ATOM   3092 H  HB1  . ALA   A 1 192 ? 44.888 18.500  5.438   1.00 15.80 ?  192 ALA   A HB1  1 
ATOM   3093 H  HB2  . ALA   A 1 192 ? 45.693 19.045  4.202   1.00 15.80 ?  192 ALA   A HB2  1 
ATOM   3094 H  HB3  . ALA   A 1 192 ? 44.379 19.772  4.667   1.00 16.21 ?  192 ALA   A HB3  1 
ATOM   3095 N  N    . GLN   A 1 193 ? 47.750 21.597  5.116   1.00 12.17 ?  193 GLN   A N    1 
ATOM   3096 C  CA   . GLN   A 1 193 ? 48.362 22.719  4.438   1.00 11.94 ?  193 GLN   A CA   1 
ATOM   3097 C  C    . GLN   A 1 193 ? 49.150 22.346  3.192   1.00 11.45 ?  193 GLN   A C    1 
ATOM   3098 O  O    . GLN   A 1 193 ? 49.405 23.197  2.340   1.00 12.04 ?  193 GLN   A O    1 
ATOM   3099 C  CB   . GLN   A 1 193 ? 49.294 23.464  5.391   1.00 13.59 ?  193 GLN   A CB   1 
ATOM   3100 C  CG   . GLN   A 1 193 ? 48.601 24.096  6.585   1.00 16.18 ?  193 GLN   A CG   1 
ATOM   3101 C  CD   . GLN   A 1 193 ? 47.633 25.225  6.238   1.00 18.05 ?  193 GLN   A CD   1 
ATOM   3102 O  OE1  . GLN   A 1 193 ? 47.372 25.562  5.067   1.00 18.27 ?  193 GLN   A OE1  1 
ATOM   3103 N  NE2  . GLN   A 1 193 ? 47.093 25.838  7.282   1.00 22.17 ?  193 GLN   A NE2  1 
ATOM   3104 H  H    . GLN   A 1 193 ? 48.317 21.082  5.507   1.00 12.80 ?  193 GLN   A H    1 
ATOM   3105 H  HA   . GLN   A 1 193 ? 47.668 23.343  4.149   1.00 12.43 ?  193 GLN   A HA   1 
ATOM   3106 H  HB2  . GLN   A 1 193 ? 49.954 22.839  5.728   1.00 14.06 ?  193 GLN   A HB2  1 
ATOM   3107 H  HB3  . GLN   A 1 193 ? 49.738 24.174  4.902   1.00 13.60 ?  193 GLN   A HB3  1 
ATOM   3108 H  HG2  . GLN   A 1 193 ? 48.099 23.413  7.054   1.00 15.49 ?  193 GLN   A HG2  1 
ATOM   3109 H  HG3  . GLN   A 1 193 ? 49.278 24.463  7.175   1.00 16.34 ?  193 GLN   A HG3  1 
ATOM   3110 H  HE21 . GLN   A 1 193 ? 46.543 26.489  7.161   1.00 20.21 ?  193 GLN   A HE21 1 
ATOM   3111 H  HE22 . GLN   A 1 193 ? 47.291 25.588  8.081   1.00 20.85 ?  193 GLN   A HE22 1 
ATOM   3112 N  N    . GLY   A 1 194 ? 49.573 21.090  3.098   1.00 9.70  ?  194 GLY   A N    1 
ATOM   3113 C  CA   . GLY   A 1 194 ? 50.389 20.639  1.990   1.00 10.62 ?  194 GLY   A CA   1 
ATOM   3114 C  C    . GLY   A 1 194 ? 49.996 19.263  1.521   1.00 9.36  ?  194 GLY   A C    1 
ATOM   3115 O  O    . GLY   A 1 194 ? 49.296 18.535  2.234   1.00 9.37  ?  194 GLY   A O    1 
ATOM   3116 H  H    . GLY   A 1 194 ? 49.405 20.472  3.671   1.00 9.96  ?  194 GLY   A H    1 
ATOM   3117 H  HA2  . GLY   A 1 194 ? 50.295 21.248  1.246   1.00 10.72 ?  194 GLY   A HA2  1 
ATOM   3118 H  HA3  . GLY   A 1 194 ? 51.321 20.620  2.258   1.00 10.40 ?  194 GLY   A HA3  1 
ATOM   3119 N  N    . ILE   A 1 195 ? 50.455 18.929  0.318   1.00 8.55  ?  195 ILE   A N    1 
ATOM   3120 C  CA   . ILE   A 1 195 ? 50.341 17.584  -0.244  1.00 8.21  ?  195 ILE   A CA   1 
ATOM   3121 C  C    . ILE   A 1 195 ? 51.734 17.122  -0.653  1.00 7.80  ?  195 ILE   A C    1 
ATOM   3122 O  O    . ILE   A 1 195 ? 52.445 17.836  -1.368  1.00 8.69  ?  195 ILE   A O    1 
ATOM   3123 C  CB   . ILE   A 1 195 ? 49.417 17.573  -1.499  1.00 9.20  ?  195 ILE   A CB   1 
ATOM   3124 C  CG1  . ILE   A 1 195 ? 48.064 18.226  -1.206  1.00 10.26 ?  195 ILE   A CG1  1 
ATOM   3125 C  CG2  . ILE   A 1 195 ? 49.253 16.162  -2.049  1.00 9.88  ?  195 ILE   A CG2  1 
ATOM   3126 C  CD1  . ILE   A 1 195 ? 47.213 18.449  -2.448  1.00 11.14 ?  195 ILE   A CD1  1 
ATOM   3127 H  H    . ILE   A 1 195 ? 50.848 19.483  -0.211  1.00 8.50  ?  195 ILE   A H    1 
ATOM   3128 H  HA   . ILE   A 1 195 ? 49.977 16.964  0.419   1.00 8.34  ?  195 ILE   A HA   1 
ATOM   3129 H  HB   . ILE   A 1 195 ? 49.852 18.099  -2.186  1.00 9.27  ?  195 ILE   A HB   1 
ATOM   3130 H  HG12 . ILE   A 1 195 ? 47.564 17.654  -0.603  1.00 9.93  ?  195 ILE   A HG12 1 
ATOM   3131 H  HG13 . ILE   A 1 195 ? 48.207 19.092  -0.795  1.00 10.03 ?  195 ILE   A HG13 1 
ATOM   3132 H  HG21 . ILE   A 1 195 ? 50.113 15.803  -2.276  1.00 9.81  ?  195 ILE   A HG21 1 
ATOM   3133 H  HG22 . ILE   A 1 195 ? 48.703 16.187  -2.834  1.00 9.68  ?  195 ILE   A HG22 1 
ATOM   3134 H  HG23 . ILE   A 1 195 ? 48.838 15.616  -1.378  1.00 9.66  ?  195 ILE   A HG23 1 
ATOM   3135 H  HD11 . ILE   A 1 195 ? 47.737 18.914  -3.106  1.00 10.57 ?  195 ILE   A HD11 1 
ATOM   3136 H  HD12 . ILE   A 1 195 ? 46.447 18.977  -2.208  1.00 11.02 ?  195 ILE   A HD12 1 
ATOM   3137 H  HD13 . ILE   A 1 195 ? 46.926 17.602  -2.795  1.00 10.80 ?  195 ILE   A HD13 1 
ATOM   3138 N  N    . VAL   A 1 196 ? 52.164 15.943  -0.232  1.00 7.69  ?  196 VAL   A N    1 
ATOM   3139 C  CA   . VAL   A 1 196 ? 53.466 15.453  -0.631  1.00 7.61  ?  196 VAL   A CA   1 
ATOM   3140 C  C    . VAL   A 1 196 ? 53.542 15.427  -2.145  1.00 7.66  ?  196 VAL   A C    1 
ATOM   3141 O  O    . VAL   A 1 196 ? 52.661 14.884  -2.799  1.00 8.36  ?  196 VAL   A O    1 
ATOM   3142 C  CB   . VAL   A 1 196 ? 53.720 14.031  -0.122  1.00 7.77  ?  196 VAL   A CB   1 
ATOM   3143 C  CG1  . VAL   A 1 196 ? 55.097 13.522  -0.544  1.00 8.75  ?  196 VAL   A CG1  1 
ATOM   3144 C  CG2  . VAL   A 1 196 ? 53.573 13.911  1.390   1.00 8.15  ?  196 VAL   A CG2  1 
ATOM   3145 H  H    . VAL   A 1 196 ? 51.708 15.415  0.267   1.00 7.60  ?  196 VAL   A H    1 
ATOM   3146 H  HA   . VAL   A 1 196 ? 54.165 16.044  -0.281  1.00 7.60  ?  196 VAL   A HA   1 
ATOM   3147 H  HB   . VAL   A 1 196 ? 53.049 13.441  -0.521  1.00 7.75  ?  196 VAL   A HB   1 
ATOM   3148 H  HG11 . VAL   A 1 196 ? 55.136 13.434  -1.499  1.00 8.42  ?  196 VAL   A HG11 1 
ATOM   3149 H  HG12 . VAL   A 1 196 ? 55.250 12.666  -0.136  1.00 8.60  ?  196 VAL   A HG12 1 
ATOM   3150 H  HG13 . VAL   A 1 196 ? 55.763 14.146  -0.247  1.00 8.37  ?  196 VAL   A HG13 1 
ATOM   3151 H  HG21 . VAL   A 1 196 ? 54.243 14.450  1.810   1.00 7.90  ?  196 VAL   A HG21 1 
ATOM   3152 H  HG22 . VAL   A 1 196 ? 53.700 12.992  1.637   1.00 8.23  ?  196 VAL   A HG22 1 
ATOM   3153 H  HG23 . VAL   A 1 196 ? 52.700 14.196  1.663   1.00 8.10  ?  196 VAL   A HG23 1 
ATOM   3154 N  N    . SER   A 1 197 ? 54.591 16.015  -2.726  1.00 7.62  ?  197 SER   A N    1 
ATOM   3155 C  CA   . SER   A 1 197 ? 54.794 15.989  -4.175  1.00 7.77  ?  197 SER   A CA   1 
ATOM   3156 C  C    . SER   A 1 197 ? 56.047 15.208  -4.529  1.00 8.39  ?  197 SER   A C    1 
ATOM   3157 O  O    . SER   A 1 197 ? 55.958 14.048  -4.943  1.00 10.06 ?  197 SER   A O    1 
ATOM   3158 C  CB   . SER   A 1 197 ? 54.764 17.395  -4.763  1.00 7.70  ?  197 SER   A CB   1 
ATOM   3159 O  OG   . SER   A 1 197 ? 54.928 17.324  -6.164  1.00 8.16  ?  197 SER   A OG   1 
ATOM   3160 H  H    . SER   A 1 197 ? 55.205 16.439  -2.299  1.00 7.43  ?  197 SER   A H    1 
ATOM   3161 H  HA   . SER   A 1 197 ? 54.049 15.509  -4.591  1.00 7.40  ?  197 SER   A HA   1 
ATOM   3162 H  HB2  . SER   A 1 197 ? 53.909 17.806  -4.562  1.00 7.98  ?  197 SER   A HB2  1 
ATOM   3163 H  HB3  . SER   A 1 197 ? 55.483 17.923  -4.389  1.00 7.91  ?  197 SER   A HB3  1 
ATOM   3164 H  HG   . SER   A 1 197 ? 54.917 18.083  -6.490  0.00 8.22  ?  197 SER   A HG   1 
ATOM   3165 N  N    . TYR   A 1 198 ? 57.229 15.803  -4.380  1.00 7.52  ?  198 TYR   A N    1 
ATOM   3166 C  CA   . TYR   A 1 198 ? 58.451 15.154  -4.826  1.00 8.12  ?  198 TYR   A CA   1 
ATOM   3167 C  C    . TYR   A 1 198 ? 59.648 15.578  -3.996  1.00 7.87  ?  198 TYR   A C    1 
ATOM   3168 O  O    . TYR   A 1 198 ? 59.545 16.458  -3.152  1.00 9.62  ?  198 TYR   A O    1 
ATOM   3169 C  CB   . TYR   A 1 198 ? 58.707 15.442  -6.312  1.00 8.56  ?  198 TYR   A CB   1 
ATOM   3170 C  CG   . TYR   A 1 198 ? 59.104 16.869  -6.649  1.00 8.46  ?  198 TYR   A CG   1 
ATOM   3171 C  CD1  . TYR   A 1 198 ? 58.148 17.830  -6.901  1.00 8.80  ?  198 TYR   A CD1  1 
ATOM   3172 C  CD2  . TYR   A 1 198 ? 60.438 17.261  -6.715  1.00 10.03 ?  198 TYR   A CD2  1 
ATOM   3173 C  CE1  . TYR   A 1 198 ? 58.494 19.130  -7.245  1.00 9.71  ?  198 TYR   A CE1  1 
ATOM   3174 C  CE2  . TYR   A 1 198 ? 60.785 18.558  -7.028  1.00 11.15 ?  198 TYR   A CE2  1 
ATOM   3175 C  CZ   . TYR   A 1 198 ? 59.822 19.503  -7.296  1.00 10.00 ?  198 TYR   A CZ   1 
ATOM   3176 O  OH   . TYR   A 1 198 ? 60.191 20.808  -7.619  1.00 11.18 ?  198 TYR   A OH   1 
ATOM   3177 H  H    . TYR   A 1 198 ? 57.347 16.576  -4.024  1.00 7.66  ?  198 TYR   A H    1 
ATOM   3178 H  HA   . TYR   A 1 198 ? 58.364 14.183  -4.723  1.00 8.23  ?  198 TYR   A HA   1 
ATOM   3179 H  HB2  . TYR   A 1 198 ? 59.422 14.862  -6.619  1.00 8.62  ?  198 TYR   A HB2  1 
ATOM   3180 H  HB3  . TYR   A 1 198 ? 57.897 15.243  -6.806  1.00 8.43  ?  198 TYR   A HB3  1 
ATOM   3181 H  HD1  . TYR   A 1 198 ? 57.252 17.591  -6.881  1.00 8.96  ?  198 TYR   A HD1  1 
ATOM   3182 H  HD2  . TYR   A 1 198 ? 61.107 16.639  -6.541  1.00 9.63  ?  198 TYR   A HD2  1 
ATOM   3183 H  HE1  . TYR   A 1 198 ? 57.828 19.759  -7.411  1.00 9.62  ?  198 TYR   A HE1  1 
ATOM   3184 H  HE2  . TYR   A 1 198 ? 61.683 18.794  -7.069  1.00 10.44 ?  198 TYR   A HE2  1 
ATOM   3185 H  HH   . TYR   A 1 198 ? 59.874 21.324  -7.068  0.00 11.13 ?  198 TYR   A HH   1 
ATOM   3186 N  N    . GLY   A 1 199 ? 60.766 14.943  -4.237  1.00 8.14  ?  199 GLY   A N    1 
ATOM   3187 C  CA   . GLY   A 1 199 ? 62.007 15.263  -3.559  1.00 8.21  ?  199 GLY   A CA   1 
ATOM   3188 C  C    . GLY   A 1 199 ? 63.128 14.565  -4.300  1.00 9.56  ?  199 GLY   A C    1 
ATOM   3189 O  O    . GLY   A 1 199 ? 62.972 14.116  -5.447  1.00 10.68 ?  199 GLY   A O    1 
ATOM   3190 H  H    . GLY   A 1 199 ? 60.836 14.299  -4.804  1.00 7.94  ?  199 GLY   A H    1 
ATOM   3191 H  HA2  . GLY   A 1 199 ? 62.165 16.220  -3.569  1.00 8.36  ?  199 GLY   A HA2  1 
ATOM   3192 H  HA3  . GLY   A 1 199 ? 61.983 14.949  -2.642  1.00 8.58  ?  199 GLY   A HA3  1 
ATOM   3193 N  N    . ARG   A 1 200 ? 64.271 14.497  -3.644  1.00 9.62  ?  200 ARG   A N    1 
ATOM   3194 C  CA   . ARG   A 1 200 ? 65.445 13.865  -4.223  1.00 10.23 ?  200 ARG   A CA   1 
ATOM   3195 C  C    . ARG   A 1 200 ? 65.322 12.360  -4.206  1.00 11.11 ?  200 ARG   A C    1 
ATOM   3196 O  O    . ARG   A 1 200 ? 64.738 11.768  -3.300  1.00 11.17 ?  200 ARG   A O    1 
ATOM   3197 C  CB   . ARG   A 1 200 ? 66.705 14.258  -3.450  1.00 10.33 ?  200 ARG   A CB   1 
ATOM   3198 C  CG   . ARG   A 1 200 ? 67.149 15.684  -3.706  1.00 11.51 ?  200 ARG   A CG   1 
ATOM   3199 C  CD   . ARG   A 1 200 ? 68.295 16.066  -2.796  1.00 12.55 ?  200 ARG   A CD   1 
ATOM   3200 N  NE   . ARG   A 1 200 ? 69.459 15.189  -2.934  1.00 12.37 ?  200 ARG   A NE   1 
ATOM   3201 C  CZ   . ARG   A 1 200 ? 70.530 15.464  -3.676  1.00 14.06 ?  200 ARG   A CZ   1 
ATOM   3202 N  NH1  . ARG   A 1 200 ? 70.591 16.567  -4.421  1.00 16.77 ?  200 ARG   A NH1  1 
ATOM   3203 N  NH2  . ARG   A 1 200 ? 71.537 14.607  -3.673  1.00 17.31 ?  200 ARG   A NH2  1 
ATOM   3204 H  H    . ARG   A 1 200 ? 64.391 14.812  -2.853  1.00 9.57  ?  200 ARG   A H    1 
ATOM   3205 H  HA   . ARG   A 1 200 ? 65.553 14.163  -5.150  1.00 10.44 ?  200 ARG   A HA   1 
ATOM   3206 H  HB2  . ARG   A 1 200 ? 66.543 14.159  -2.498  1.00 10.55 ?  200 ARG   A HB2  1 
ATOM   3207 H  HB3  . ARG   A 1 200 ? 67.429 13.672  -3.722  1.00 10.68 ?  200 ARG   A HB3  1 
ATOM   3208 H  HG2  . ARG   A 1 200 ? 67.448 15.768  -4.625  1.00 11.51 ?  200 ARG   A HG2  1 
ATOM   3209 H  HG3  . ARG   A 1 200 ? 66.409 16.288  -3.535  1.00 11.61 ?  200 ARG   A HG3  1 
ATOM   3210 H  HD2  . ARG   A 1 200 ? 68.551 16.982  -2.974  1.00 12.77 ?  200 ARG   A HD2  1 
ATOM   3211 H  HD3  . ARG   A 1 200 ? 67.990 15.994  -1.878  1.00 12.45 ?  200 ARG   A HD3  1 
ATOM   3212 H  HE   . ARG   A 1 200 ? 69.536 14.471  -2.287  1.00 13.20 ?  200 ARG   A HE   1 
ATOM   3213 H  HH11 . ARG   A 1 200 ? 69.950 17.137  -4.426  1.00 15.81 ?  200 ARG   A HH11 1 
ATOM   3214 H  HH12 . ARG   A 1 200 ? 71.288 16.717  -4.901  1.00 15.40 ?  200 ARG   A HH12 1 
ATOM   3215 H  HH21 . ARG   A 1 200 ? 71.496 13.889  -3.204  1.00 16.27 ?  200 ARG   A HH21 1 
ATOM   3216 H  HH22 . ARG   A 1 200 ? 72.227 14.753  -4.165  1.00 15.41 ?  200 ARG   A HH22 1 
ATOM   3217 N  N    . SER   A 1 201 ? 65.951 11.730  -5.194  1.00 12.69 ?  201 SER   A N    1 
ATOM   3218 C  CA   A SER   A 1 201 ? 65.985 10.273  -5.274  0.50 13.91 ?  201 SER   A CA   1 
ATOM   3219 C  CA   B SER   A 1 201 ? 65.998 10.274  -5.287  0.50 13.68 ?  201 SER   A CA   1 
ATOM   3220 C  C    . SER   A 1 201 ? 66.720 9.630   -4.105  1.00 13.29 ?  201 SER   A C    1 
ATOM   3221 O  O    . SER   A 1 201 ? 66.461 8.481   -3.759  1.00 15.61 ?  201 SER   A O    1 
ATOM   3222 C  CB   A SER   A 1 201 ? 66.609 9.824   -6.601  0.50 16.27 ?  201 SER   A CB   1 
ATOM   3223 C  CB   B SER   A 1 201 ? 66.652 9.840   -6.614  0.50 15.04 ?  201 SER   A CB   1 
ATOM   3224 O  OG   A SER   A 1 201 ? 65.750 10.141  -7.678  0.50 21.30 ?  201 SER   A OG   1 
ATOM   3225 O  OG   B SER   A 1 201 ? 68.009 10.244  -6.695  0.50 16.69 ?  201 SER   A OG   1 
ATOM   3226 H  H    . SER   A 1 201 ? 66.366 12.132  -5.832  1.00 12.92 ?  201 SER   A H    1 
ATOM   3227 H  HA   A SER   A 1 201 ? 65.063 9.941   -5.258  0.50 13.72 ?  201 SER   A HA   1 
ATOM   3228 H  HA   B SER   A 1 201 ? 65.079 9.934   -5.288  0.50 13.54 ?  201 SER   A HA   1 
ATOM   3229 H  HB2  A SER   A 1 201 ? 67.458 10.276  -6.725  0.50 16.02 ?  201 SER   A HB2  1 
ATOM   3230 H  HB2  B SER   A 1 201 ? 66.609 8.873   -6.682  0.50 15.03 ?  201 SER   A HB2  1 
ATOM   3231 H  HB3  A SER   A 1 201 ? 66.745 8.863   -6.579  0.50 16.20 ?  201 SER   A HB3  1 
ATOM   3232 H  HB3  B SER   A 1 201 ? 66.162 10.242  -7.349  0.50 14.94 ?  201 SER   A HB3  1 
ATOM   3233 H  HG   A SER   A 1 201 ? 66.099 9.918   -8.390  0.00 16.99 ?  201 SER   A HG   1 
ATOM   3234 H  HG   B SER   A 1 201 ? 68.323 10.027  -7.412  0.00 15.19 ?  201 SER   A HG   1 
ATOM   3235 N  N    . ASP   A 1 202 ? 67.634 10.372  -3.482  1.00 12.95 ?  202 ASP   A N    1 
ATOM   3236 C  CA   . ASP   A 1 202 ? 68.376 9.863   -2.341  1.00 13.93 ?  202 ASP   A CA   1 
ATOM   3237 C  C    . ASP   A 1 202 ? 67.726 10.203  -0.991  1.00 13.81 ?  202 ASP   A C    1 
ATOM   3238 O  O    . ASP   A 1 202 ? 68.294 9.965   0.072   1.00 14.91 ?  202 ASP   A O    1 
ATOM   3239 C  CB   . ASP   A 1 202 ? 69.842 10.309  -2.387  1.00 14.41 ?  202 ASP   A CB   1 
ATOM   3240 C  CG   . ASP   A 1 202 ? 70.038 11.802  -2.158  1.00 15.58 ?  202 ASP   A CG   1 
ATOM   3241 O  OD1  . ASP   A 1 202 ? 69.059 12.559  -1.946  1.00 13.15 ?  202 ASP   A OD1  1 
ATOM   3242 O  OD2  . ASP   A 1 202 ? 71.222 12.240  -2.197  1.00 17.32 ?  202 ASP   A OD2  1 
ATOM   3243 H  H    . ASP   A 1 202 ? 67.847 11.173  -3.707  1.00 13.51 ?  202 ASP   A H    1 
ATOM   3244 H  HA   . ASP   A 1 202 ? 68.396 8.885   -2.396  1.00 13.89 ?  202 ASP   A HA   1 
ATOM   3245 H  HB2  . ASP   A 1 202 ? 70.335 9.835   -1.699  1.00 14.11 ?  202 ASP   A HB2  1 
ATOM   3246 H  HB3  . ASP   A 1 202 ? 70.206 10.093  -3.260  1.00 14.51 ?  202 ASP   A HB3  1 
ATOM   3247 N  N    . ALA   A 1 203 ? 66.534 10.793  -1.042  1.00 13.10 ?  203 ALA   A N    1 
ATOM   3248 C  CA   . ALA   A 1 203 ? 65.698 11.049  0.125   1.00 14.07 ?  203 ALA   A CA   1 
ATOM   3249 C  C    . ALA   A 1 203 ? 66.243 12.132  1.054   1.00 14.49 ?  203 ALA   A C    1 
ATOM   3250 O  O    . ALA   A 1 203 ? 65.727 12.299  2.155   1.00 16.93 ?  203 ALA   A O    1 
ATOM   3251 C  CB   . ALA   A 1 203 ? 65.419 9.765   0.914   1.00 16.42 ?  203 ALA   A CB   1 
ATOM   3252 H  H    . ALA   A 1 203 ? 66.169 11.073  -1.767  1.00 13.41 ?  203 ALA   A H    1 
ATOM   3253 H  HA   . ALA   A 1 203 ? 64.831 11.371  -0.199  1.00 14.09 ?  203 ALA   A HA   1 
ATOM   3254 H  HB1  . ALA   A 1 203 ? 65.132 9.079   0.306   1.00 15.82 ?  203 ALA   A HB1  1 
ATOM   3255 H  HB2  . ALA   A 1 203 ? 64.726 9.951   1.549   1.00 15.70 ?  203 ALA   A HB2  1 
ATOM   3256 H  HB3  . ALA   A 1 203 ? 66.215 9.487   1.374   1.00 16.13 ?  203 ALA   A HB3  1 
ATOM   3257 N  N    . LYS   A 1 204 ? 67.243 12.888  0.622   1.00 12.94 ?  204 LYS   A N    1 
ATOM   3258 C  CA   . LYS   A 1 204 ? 67.787 13.924  1.495   1.00 13.44 ?  204 LYS   A CA   1 
ATOM   3259 C  C    . LYS   A 1 204 ? 66.792 15.083  1.549   1.00 12.31 ?  204 LYS   A C    1 
ATOM   3260 O  O    . LYS   A 1 204 ? 66.476 15.659  0.498   1.00 11.83 ?  204 LYS   A O    1 
ATOM   3261 C  CB   . LYS   A 1 204 ? 69.142 14.416  0.981   1.00 15.70 ?  204 LYS   A CB   1 
ATOM   3262 C  CG   . LYS   A 1 204 ? 70.273 13.412  1.131   1.00 21.03 ?  204 LYS   A CG   1 
ATOM   3263 C  CD   . LYS   A 1 204 ? 71.594 14.056  0.744   1.00 26.16 ?  204 LYS   A CD   1 
ATOM   3264 C  CE   . LYS   A 1 204 ? 72.755 13.075  0.814   1.00 30.85 ?  204 LYS   A CE   1 
ATOM   3265 N  NZ   . LYS   A 1 204 ? 74.061 13.775  0.662   1.00 35.48 ?  204 LYS   A NZ   1 
ATOM   3266 H  H    . LYS   A 1 204 ? 67.614 12.838  -0.151  1.00 13.55 ?  204 LYS   A H    1 
ATOM   3267 H  HA   . LYS   A 1 204 ? 67.925 13.559  2.392   1.00 13.41 ?  204 LYS   A HA   1 
ATOM   3268 H  HB2  . LYS   A 1 204 ? 69.061 14.633  0.040   1.00 15.93 ?  204 LYS   A HB2  1 
ATOM   3269 H  HB3  . LYS   A 1 204 ? 69.391 15.211  1.477   1.00 15.76 ?  204 LYS   A HB3  1 
ATOM   3270 H  HG2  . LYS   A 1 204 ? 70.331 13.125  2.056   1.00 20.17 ?  204 LYS   A HG2  1 
ATOM   3271 H  HG3  . LYS   A 1 204 ? 70.115 12.653  0.550   1.00 19.96 ?  204 LYS   A HG3  1 
ATOM   3272 H  HD2  . LYS   A 1 204 ? 71.533 14.386  -0.166  1.00 25.23 ?  204 LYS   A HD2  1 
ATOM   3273 H  HD3  . LYS   A 1 204 ? 71.781 14.787  1.353   1.00 24.96 ?  204 LYS   A HD3  1 
ATOM   3274 H  HE2  . LYS   A 1 204 ? 72.748 12.629  1.676   1.00 30.03 ?  204 LYS   A HE2  1 
ATOM   3275 H  HE3  . LYS   A 1 204 ? 72.671 12.426  0.098   1.00 29.08 ?  204 LYS   A HE3  1 
ATOM   3276 H  HZ1  . LYS   A 1 204 ? 74.098 14.216  -0.191  1.00 32.93 ?  204 LYS   A HZ1  1 
ATOM   3277 H  HZ2  . LYS   A 1 204 ? 74.781 13.143  0.718   1.00 33.67 ?  204 LYS   A HZ2  1 
ATOM   3278 H  HZ3  . LYS   A 1 204 ? 74.165 14.430  1.356   1.00 32.81 ?  204 LYS   A HZ3  1 
ATOM   3279 N  N    . PRO   A 1 205 ? 66.316 15.455  2.750   1.00 11.35 ?  205 PRO   A N    1 
ATOM   3280 C  CA   . PRO   A 1 205 ? 65.354 16.563  2.834   1.00 11.13 ?  205 PRO   A CA   1 
ATOM   3281 C  C    . PRO   A 1 205 ? 66.034 17.895  2.560   1.00 9.49  ?  205 PRO   A C    1 
ATOM   3282 O  O    . PRO   A 1 205 ? 67.258 17.994  2.641   1.00 11.62 ?  205 PRO   A O    1 
ATOM   3283 C  CB   . PRO   A 1 205 ? 64.800 16.486  4.274   1.00 11.54 ?  205 PRO   A CB   1 
ATOM   3284 C  CG   . PRO   A 1 205 ? 65.684 15.567  4.998   1.00 12.60 ?  205 PRO   A CG   1 
ATOM   3285 C  CD   . PRO   A 1 205 ? 66.519 14.787  4.050   1.00 11.98 ?  205 PRO   A CD   1 
ATOM   3286 H  HA   . PRO   A 1 205 ? 64.626 16.427  2.198   1.00 11.27 ?  205 PRO   A HA   1 
ATOM   3287 H  HB2  . PRO   A 1 205 ? 64.813 17.365  4.683   1.00 11.54 ?  205 PRO   A HB2  1 
ATOM   3288 H  HB3  . PRO   A 1 205 ? 63.898 16.134  4.255   1.00 11.63 ?  205 PRO   A HB3  1 
ATOM   3289 H  HG2  . PRO   A 1 205 ? 66.257 16.090  5.580   1.00 12.44 ?  205 PRO   A HG2  1 
ATOM   3290 H  HG3  . PRO   A 1 205 ? 65.143 14.963  5.528   1.00 11.73 ?  205 PRO   A HG3  1 
ATOM   3291 H  HD2  . PRO   A 1 205 ? 67.452 14.835  4.310   1.00 11.90 ?  205 PRO   A HD2  1 
ATOM   3292 H  HD3  . PRO   A 1 205 ? 66.210 13.870  4.016   1.00 12.02 ?  205 PRO   A HD3  1 
ATOM   3293 N  N    . PRO   A 1 206 ? 65.255 18.944  2.234   1.00 9.64  ?  206 PRO   A N    1 
ATOM   3294 C  CA   . PRO   A 1 206 ? 63.805 19.006  2.205   1.00 9.32  ?  206 PRO   A CA   1 
ATOM   3295 C  C    . PRO   A 1 206 ? 63.172 18.385  0.967   1.00 8.73  ?  206 PRO   A C    1 
ATOM   3296 O  O    . PRO   A 1 206 ? 63.856 18.112  -0.032  1.00 9.81  ?  206 PRO   A O    1 
ATOM   3297 C  CB   . PRO   A 1 206 ? 63.516 20.506  2.221   1.00 9.53  ?  206 PRO   A CB   1 
ATOM   3298 C  CG   . PRO   A 1 206 ? 64.702 21.100  1.567   1.00 11.03 ?  206 PRO   A CG   1 
ATOM   3299 C  CD   . PRO   A 1 206 ? 65.865 20.263  1.984   1.00 10.81 ?  206 PRO   A CD   1 
ATOM   3300 H  HA   . PRO   A 1 206 ? 63.426 18.597  3.010   1.00 9.46  ?  206 PRO   A HA   1 
ATOM   3301 H  HB2  . PRO   A 1 206 ? 62.710 20.699  1.716   1.00 9.51  ?  206 PRO   A HB2  1 
ATOM   3302 H  HB3  . PRO   A 1 206 ? 63.431 20.822  3.132   1.00 9.67  ?  206 PRO   A HB3  1 
ATOM   3303 H  HG2  . PRO   A 1 206 ? 64.590 21.071  0.604   1.00 10.71 ?  206 PRO   A HG2  1 
ATOM   3304 H  HG3  . PRO   A 1 206 ? 64.815 22.015  1.869   1.00 10.52 ?  206 PRO   A HG3  1 
ATOM   3305 H  HD2  . PRO   A 1 206 ? 66.515 20.206  1.266   1.00 10.57 ?  206 PRO   A HD2  1 
ATOM   3306 H  HD3  . PRO   A 1 206 ? 66.261 20.613  2.797   1.00 10.38 ?  206 PRO   A HD3  1 
ATOM   3307 N  N    . ALA   A 1 207 ? 61.872 18.151  1.074   1.00 9.30  ?  207 ALA   A N    1 
ATOM   3308 C  CA   . ALA   A 1 207 ? 61.058 17.755  -0.067  1.00 9.21  ?  207 ALA   A CA   1 
ATOM   3309 C  C    . ALA   A 1 207 ? 60.057 18.861  -0.374  1.00 8.63  ?  207 ALA   A C    1 
ATOM   3310 O  O    . ALA   A 1 207 ? 59.852 19.786  0.409   1.00 9.80  ?  207 ALA   A O    1 
ATOM   3311 C  CB   . ALA   A 1 207 ? 60.352 16.437  0.206   1.00 10.49 ?  207 ALA   A CB   1 
ATOM   3312 H  H    . ALA   A 1 207 ? 61.428 18.214  1.808   1.00 9.15  ?  207 ALA   A H    1 
ATOM   3313 H  HA   . ALA   A 1 207 ? 61.620 17.634  -0.860  1.00 9.30  ?  207 ALA   A HA   1 
ATOM   3314 H  HB1  . ALA   A 1 207 ? 61.003 15.779  0.461   1.00 10.11 ?  207 ALA   A HB1  1 
ATOM   3315 H  HB2  . ALA   A 1 207 ? 59.894 16.154  -0.588  1.00 9.89  ?  207 ALA   A HB2  1 
ATOM   3316 H  HB3  . ALA   A 1 207 ? 59.721 16.569  0.916   1.00 10.44 ?  207 ALA   A HB3  1 
ATOM   3317 N  N    . VAL   A 1 208 ? 59.444 18.752  -1.547  1.00 8.36  ?  208 VAL   A N    1 
ATOM   3318 C  CA   . VAL   A 1 208 ? 58.536 19.743  -2.088  1.00 8.27  ?  208 VAL   A CA   1 
ATOM   3319 C  C    . VAL   A 1 208 ? 57.113 19.251  -1.936  1.00 8.32  ?  208 VAL   A C    1 
ATOM   3320 O  O    . VAL   A 1 208 ? 56.794 18.122  -2.352  1.00 8.97  ?  208 VAL   A O    1 
ATOM   3321 C  CB   . VAL   A 1 208 ? 58.869 19.991  -3.569  1.00 8.68  ?  208 VAL   A CB   1 
ATOM   3322 C  CG1  . VAL   A 1 208 ? 57.901 20.966  -4.187  1.00 9.24  ?  208 VAL   A CG1  1 
ATOM   3323 C  CG2  . VAL   A 1 208 ? 60.279 20.514  -3.690  1.00 9.33  ?  208 VAL   A CG2  1 
ATOM   3324 H  H    . VAL   A 1 208 ? 59.546 18.075  -2.068  1.00 8.39  ?  208 VAL   A H    1 
ATOM   3325 H  HA   . VAL   A 1 208 ? 58.636 20.591  -1.609  1.00 8.42  ?  208 VAL   A HA   1 
ATOM   3326 H  HB   . VAL   A 1 208 ? 58.811 19.146  -4.061  1.00 8.69  ?  208 VAL   A HB   1 
ATOM   3327 H  HG11 . VAL   A 1 208 ? 57.044 20.545  -4.292  1.00 8.96  ?  208 VAL   A HG11 1 
ATOM   3328 H  HG12 . VAL   A 1 208 ? 58.233 21.234  -5.049  1.00 9.17  ?  208 VAL   A HG12 1 
ATOM   3329 H  HG13 . VAL   A 1 208 ? 57.822 21.734  -3.615  1.00 9.05  ?  208 VAL   A HG13 1 
ATOM   3330 H  HG21 . VAL   A 1 208 ? 60.368 21.300  -3.146  1.00 9.26  ?  208 VAL   A HG21 1 
ATOM   3331 H  HG22 . VAL   A 1 208 ? 60.454 20.731  -4.609  1.00 9.19  ?  208 VAL   A HG22 1 
ATOM   3332 H  HG23 . VAL   A 1 208 ? 60.894 19.839  -3.395  1.00 9.29  ?  208 VAL   A HG23 1 
ATOM   3333 N  N    . PHE   A 1 209 ? 56.268 20.093  -1.361  1.00 7.70  ?  209 PHE   A N    1 
ATOM   3334 C  CA   . PHE   A 1 209 ? 54.859 19.782  -1.166  1.00 7.81  ?  209 PHE   A CA   1 
ATOM   3335 C  C    . PHE   A 1 209 ? 54.018 20.817  -1.898  1.00 8.53  ?  209 PHE   A C    1 
ATOM   3336 O  O    . PHE   A 1 209 ? 54.378 21.992  -1.966  1.00 10.10 ?  209 PHE   A O    1 
ATOM   3337 C  CB   . PHE   A 1 209 ? 54.502 19.841  0.321   1.00 8.62  ?  209 PHE   A CB   1 
ATOM   3338 C  CG   . PHE   A 1 209 ? 54.965 18.667  1.152   1.00 8.99  ?  209 PHE   A CG   1 
ATOM   3339 C  CD1  . PHE   A 1 209 ? 56.299 18.322  1.253   1.00 9.73  ?  209 PHE   A CD1  1 
ATOM   3340 C  CD2  . PHE   A 1 209 ? 54.052 17.966  1.929   1.00 8.48  ?  209 PHE   A CD2  1 
ATOM   3341 C  CE1  . PHE   A 1 209 ? 56.710 17.285  2.064   1.00 10.33 ?  209 PHE   A CE1  1 
ATOM   3342 C  CE2  . PHE   A 1 209 ? 54.467 16.934  2.740   1.00 9.44  ?  209 PHE   A CE2  1 
ATOM   3343 C  CZ   . PHE   A 1 209 ? 55.784 16.588  2.798   1.00 9.79  ?  209 PHE   A CZ   1 
ATOM   3344 H  H    . PHE   A 1 209 ? 56.488 20.871  -1.066  1.00 7.84  ?  209 PHE   A H    1 
ATOM   3345 H  HA   . PHE   A 1 209 ? 54.649 18.892  -1.512  1.00 8.14  ?  209 PHE   A HA   1 
ATOM   3346 H  HB2  . PHE   A 1 209 ? 54.907 20.636  0.699   1.00 8.48  ?  209 PHE   A HB2  1 
ATOM   3347 H  HB3  . PHE   A 1 209 ? 53.538 19.900  0.404   1.00 8.60  ?  209 PHE   A HB3  1 
ATOM   3348 H  HD1  . PHE   A 1 209 ? 56.934 18.789  0.763   1.00 9.32  ?  209 PHE   A HD1  1 
ATOM   3349 H  HD2  . PHE   A 1 209 ? 53.150 18.190  1.900   1.00 8.69  ?  209 PHE   A HD2  1 
ATOM   3350 H  HE1  . PHE   A 1 209 ? 57.609 17.050  2.101   1.00 10.00 ?  209 PHE   A HE1  1 
ATOM   3351 H  HE2  . PHE   A 1 209 ? 53.841 16.455  3.234   1.00 9.16  ?  209 PHE   A HE2  1 
ATOM   3352 H  HZ   . PHE   A 1 209 ? 56.056 15.882  3.339   1.00 9.76  ?  209 PHE   A HZ   1 
ATOM   3353 N  N    . THR   A 1 210 ? 52.883 20.413  -2.438  1.00 8.85  ?  210 THR   A N    1 
ATOM   3354 C  CA   . THR   A 1 210 ? 51.952 21.373  -3.011  1.00 8.64  ?  210 THR   A CA   1 
ATOM   3355 C  C    . THR   A 1 210 ? 51.369 22.219  -1.894  1.00 9.22  ?  210 THR   A C    1 
ATOM   3356 O  O    . THR   A 1 210 ? 50.983 21.693  -0.850  1.00 10.41 ?  210 THR   A O    1 
ATOM   3357 C  CB   . THR   A 1 210 ? 50.820 20.628  -3.716  1.00 9.81  ?  210 THR   A CB   1 
ATOM   3358 O  OG1  . THR   A 1 210 ? 51.416 19.749  -4.660  1.00 10.08 ?  210 THR   A OG1  1 
ATOM   3359 C  CG2  . THR   A 1 210 ? 49.843 21.569  -4.374  1.00 10.73 ?  210 THR   A CG2  1 
ATOM   3360 H  H    . THR   A 1 210 ? 52.629 19.593  -2.485  1.00 8.69  ?  210 THR   A H    1 
ATOM   3361 H  HA   . THR   A 1 210 ? 52.408 21.949  -3.660  1.00 8.48  ?  210 THR   A HA   1 
ATOM   3362 H  HB   . THR   A 1 210 ? 50.333 20.106  -3.061  1.00 9.76  ?  210 THR   A HB   1 
ATOM   3363 H  HG1  . THR   A 1 210 ? 50.824 19.327  -5.056  0.00 9.99  ?  210 THR   A HG1  1 
ATOM   3364 H  HG21 . THR   A 1 210 ? 49.356 22.068  -3.713  1.00 10.68 ?  210 THR   A HG21 1 
ATOM   3365 H  HG22 . THR   A 1 210 ? 49.217 21.069  -4.905  1.00 10.66 ?  210 THR   A HG22 1 
ATOM   3366 H  HG23 . THR   A 1 210 ? 50.313 22.183  -4.945  1.00 10.35 ?  210 THR   A HG23 1 
ATOM   3367 N  N    . ARG   A 1 211 ? 51.299 23.537  -2.104  1.00 10.17 ?  211 ARG   A N    1 
ATOM   3368 C  CA   . ARG   A 1 211 ? 50.749 24.474  -1.122  1.00 11.22 ?  211 ARG   A CA   1 
ATOM   3369 C  C    . ARG   A 1 211 ? 49.243 24.542  -1.319  1.00 11.61 ?  211 ARG   A C    1 
ATOM   3370 O  O    . ARG   A 1 211 ? 48.764 25.141  -2.283  1.00 13.03 ?  211 ARG   A O    1 
ATOM   3371 C  CB   . ARG   A 1 211 ? 51.410 25.854  -1.298  1.00 12.00 ?  211 ARG   A CB   1 
ATOM   3372 C  CG   . ARG   A 1 211 ? 50.902 26.890  -0.313  1.00 13.25 ?  211 ARG   A CG   1 
ATOM   3373 C  CD   . ARG   A 1 211 ? 51.456 28.284  -0.604  1.00 14.15 ?  211 ARG   A CD   1 
ATOM   3374 N  NE   . ARG   A 1 211 ? 52.884 28.408  -0.381  1.00 13.46 ?  211 ARG   A NE   1 
ATOM   3375 C  CZ   . ARG   A 1 211 ? 53.474 28.616  0.794   1.00 13.49 ?  211 ARG   A CZ   1 
ATOM   3376 N  NH1  . ARG   A 1 211 ? 52.767 28.654  1.921   1.00 13.70 ?  211 ARG   A NH1  1 
ATOM   3377 N  NH2  . ARG   A 1 211 ? 54.794 28.746  0.866   1.00 14.76 ?  211 ARG   A NH2  1 
ATOM   3378 H  H    . ARG   A 1 211 ? 51.568 23.919  -2.826  1.00 9.95  ?  211 ARG   A H    1 
ATOM   3379 H  HA   . ARG   A 1 211 ? 50.938 24.159  -0.213  1.00 10.96 ?  211 ARG   A HA   1 
ATOM   3380 H  HB2  . ARG   A 1 211 ? 52.368 25.765  -1.175  1.00 12.01 ?  211 ARG   A HB2  1 
ATOM   3381 H  HB3  . ARG   A 1 211 ? 51.219 26.184  -2.189  1.00 12.13 ?  211 ARG   A HB3  1 
ATOM   3382 H  HG2  . ARG   A 1 211 ? 49.935 26.943  -0.363  1.00 13.03 ?  211 ARG   A HG2  1 
ATOM   3383 H  HG3  . ARG   A 1 211 ? 51.176 26.638  0.583   1.00 13.23 ?  211 ARG   A HG3  1 
ATOM   3384 H  HD2  . ARG   A 1 211 ? 51.288 28.487  -1.536  1.00 13.73 ?  211 ARG   A HD2  1 
ATOM   3385 H  HD3  . ARG   A 1 211 ? 50.998 28.932  -0.048  1.00 14.08 ?  211 ARG   A HD3  1 
ATOM   3386 H  HE   . ARG   A 1 211 ? 53.458 28.302  -1.155  1.00 12.84 ?  211 ARG   A HE   1 
ATOM   3387 H  HH11 . ARG   A 1 211 ? 51.913 28.577  1.908   1.00 13.60 ?  211 ARG   A HH11 1 
ATOM   3388 H  HH12 . ARG   A 1 211 ? 53.167 28.776  2.673   1.00 13.73 ?  211 ARG   A HH12 1 
ATOM   3389 H  HH21 . ARG   A 1 211 ? 55.271 28.710  0.151   1.00 13.62 ?  211 ARG   A HH21 1 
ATOM   3390 H  HH22 . ARG   A 1 211 ? 55.178 28.856  1.627   1.00 14.57 ?  211 ARG   A HH22 1 
ATOM   3391 N  N    . ILE   A 1 212 ? 48.479 23.911  -0.431  1.00 11.60 ?  212 ILE   A N    1 
ATOM   3392 C  CA   . ILE   A 1 212 ? 47.045 23.770  -0.642  1.00 13.35 ?  212 ILE   A CA   1 
ATOM   3393 C  C    . ILE   A 1 212 ? 46.321 25.126  -0.787  1.00 13.81 ?  212 ILE   A C    1 
ATOM   3394 O  O    . ILE   A 1 212 ? 45.440 25.244  -1.622  1.00 14.74 ?  212 ILE   A O    1 
ATOM   3395 C  CB   . ILE   A 1 212 ? 46.394 22.916  0.457   1.00 13.40 ?  212 ILE   A CB   1 
ATOM   3396 C  CG1  . ILE   A 1 212 ? 46.885 21.481  0.332   1.00 13.13 ?  212 ILE   A CG1  1 
ATOM   3397 C  CG2  . ILE   A 1 212 ? 44.876 22.959  0.376   1.00 15.40 ?  212 ILE   A CG2  1 
ATOM   3398 C  CD1  . ILE   A 1 212 ? 46.403 20.575  1.428   1.00 13.29 ?  212 ILE   A CD1  1 
ATOM   3399 H  H    . ILE   A 1 212 ? 48.771 23.566  0.300   1.00 11.97 ?  212 ILE   A H    1 
ATOM   3400 H  HA   . ILE   A 1 212 ? 46.915 23.291  -1.487  1.00 13.45 ?  212 ILE   A HA   1 
ATOM   3401 H  HB   . ILE   A 1 212 ? 46.665 23.263  1.321   1.00 13.55 ?  212 ILE   A HB   1 
ATOM   3402 H  HG12 . ILE   A 1 212 ? 46.571 21.117  -0.511  1.00 13.12 ?  212 ILE   A HG12 1 
ATOM   3403 H  HG13 . ILE   A 1 212 ? 47.854 21.471  0.351   1.00 13.21 ?  212 ILE   A HG13 1 
ATOM   3404 H  HG21 . ILE   A 1 212 ? 44.568 23.851  0.548   1.00 14.84 ?  212 ILE   A HG21 1 
ATOM   3405 H  HG22 . ILE   A 1 212 ? 44.513 22.372  1.035   1.00 14.73 ?  212 ILE   A HG22 1 
ATOM   3406 H  HG23 . ILE   A 1 212 ? 44.601 22.679  -0.500  1.00 15.17 ?  212 ILE   A HG23 1 
ATOM   3407 H  HD11 . ILE   A 1 212 ? 46.501 21.027  2.271   1.00 13.47 ?  212 ILE   A HD11 1 
ATOM   3408 H  HD12 . ILE   A 1 212 ? 46.934 19.772  1.423   1.00 13.48 ?  212 ILE   A HD12 1 
ATOM   3409 H  HD13 . ILE   A 1 212 ? 45.479 20.353  1.277   1.00 13.38 ?  212 ILE   A HD13 1 
ATOM   3410 N  N    . SER   A 1 213 ? 46.715 26.120  0.009   1.00 15.12 ?  213 SER   A N    1 
ATOM   3411 C  CA   . SER   A 1 213 ? 46.013 27.410  -0.000  1.00 15.19 ?  213 SER   A CA   1 
ATOM   3412 C  C    . SER   A 1 213 ? 45.884 27.981  -1.404  1.00 15.63 ?  213 SER   A C    1 
ATOM   3413 O  O    . SER   A 1 213 ? 44.848 28.558  -1.757  1.00 18.47 ?  213 SER   A O    1 
ATOM   3414 C  CB   . SER   A 1 213 ? 46.721 28.401  0.920   1.00 16.27 ?  213 SER   A CB   1 
ATOM   3415 O  OG   . SER   A 1 213 ? 48.030 28.738  0.482   1.00 16.17 ?  213 SER   A OG   1 
ATOM   3416 H  H    . SER   A 1 213 ? 47.376 26.075  0.558   1.00 15.28 ?  213 SER   A H    1 
ATOM   3417 H  HA   . SER   A 1 213 ? 45.108 27.275  0.349   1.00 15.74 ?  213 SER   A HA   1 
ATOM   3418 H  HB2  . SER   A 1 213 ? 46.192 29.213  0.962   1.00 15.82 ?  213 SER   A HB2  1 
ATOM   3419 H  HB3  . SER   A 1 213 ? 46.784 28.009  1.806   1.00 15.90 ?  213 SER   A HB3  1 
ATOM   3420 H  HG   . SER   A 1 213 ? 48.379 29.269  1.002   0.00 16.37 ?  213 SER   A HG   1 
ATOM   3421 N  N    . HIS   A 1 214 ? 46.919 27.800  -2.218  1.00 15.09 ?  214 HIS   A N    1 
ATOM   3422 C  CA   . HIS   A 1 214 ? 46.924 28.306  -3.586  1.00 16.14 ?  214 HIS   A CA   1 
ATOM   3423 C  C    . HIS   A 1 214 ? 45.840 27.690  -4.468  1.00 17.07 ?  214 HIS   A C    1 
ATOM   3424 O  O    . HIS   A 1 214 ? 45.372 28.312  -5.424  1.00 17.24 ?  214 HIS   A O    1 
ATOM   3425 C  CB   . HIS   A 1 214 ? 48.302 28.076  -4.228  1.00 17.19 ?  214 HIS   A CB   1 
ATOM   3426 C  CG   . HIS   A 1 214 ? 48.452 28.727  -5.565  1.00 18.64 ?  214 HIS   A CG   1 
ATOM   3427 N  ND1  . HIS   A 1 214 ? 48.782 30.061  -5.714  1.00 20.67 ?  214 HIS   A ND1  1 
ATOM   3428 C  CD2  . HIS   A 1 214 ? 48.282 28.237  -6.814  1.00 20.80 ?  214 HIS   A CD2  1 
ATOM   3429 C  CE1  . HIS   A 1 214 ? 48.831 30.352  -6.999  1.00 21.81 ?  214 HIS   A CE1  1 
ATOM   3430 N  NE2  . HIS   A 1 214 ? 48.508 29.275  -7.688  1.00 23.02 ?  214 HIS   A NE2  1 
ATOM   3431 H  H    . HIS   A 1 214 ? 47.641 27.388  -1.998  1.00 15.47 ?  214 HIS   A H    1 
ATOM   3432 H  HA   . HIS   A 1 214 ? 46.768 29.273  -3.559  1.00 16.14 ?  214 HIS   A HA   1 
ATOM   3433 H  HB2  . HIS   A 1 214 ? 48.985 28.439  -3.644  1.00 17.48 ?  214 HIS   A HB2  1 
ATOM   3434 H  HB3  . HIS   A 1 214 ? 48.439 27.123  -4.344  1.00 17.52 ?  214 HIS   A HB3  1 
ATOM   3435 H  HD1  . HIS   A 1 214 ? 48.949 30.607  -5.071  1.00 20.66 ?  214 HIS   A HD1  1 
ATOM   3436 H  HD2  . HIS   A 1 214 ? 48.039 27.368  -7.038  1.00 20.54 ?  214 HIS   A HD2  1 
ATOM   3437 H  HE1  . HIS   A 1 214 ? 49.032 31.185  -7.359  1.00 21.46 ?  214 HIS   A HE1  1 
ATOM   3438 H  HE2  . HIS   A 1 214 ? 48.481 29.220  -8.546  1.00 22.19 ?  214 HIS   A HE2  1 
ATOM   3439 N  N    . TYR   A 1 215 ? 45.456 26.449  -4.149  1.00 14.74 ?  215 TYR   A N    1 
ATOM   3440 C  CA   . TYR   A 1 215 ? 44.558 25.638  -4.957  1.00 14.66 ?  215 TYR   A CA   1 
ATOM   3441 C  C    . TYR   A 1 215 ? 43.144 25.574  -4.417  1.00 14.48 ?  215 TYR   A C    1 
ATOM   3442 O  O    . TYR   A 1 215 ? 42.289 24.889  -4.989  1.00 15.40 ?  215 TYR   A O    1 
ATOM   3443 C  CB   . TYR   A 1 215 ? 45.141 24.216  -5.113  1.00 14.11 ?  215 TYR   A CB   1 
ATOM   3444 C  CG   . TYR   A 1 215 ? 46.437 24.296  -5.850  1.00 13.04 ?  215 TYR   A CG   1 
ATOM   3445 C  CD1  . TYR   A 1 215 ? 46.442 24.397  -7.227  1.00 13.49 ?  215 TYR   A CD1  1 
ATOM   3446 C  CD2  . TYR   A 1 215 ? 47.648 24.382  -5.181  1.00 13.52 ?  215 TYR   A CD2  1 
ATOM   3447 C  CE1  . TYR   A 1 215 ? 47.620 24.548  -7.934  1.00 13.98 ?  215 TYR   A CE1  1 
ATOM   3448 C  CE2  . TYR   A 1 215 ? 48.836 24.542  -5.876  1.00 12.58 ?  215 TYR   A CE2  1 
ATOM   3449 C  CZ   . TYR   A 1 215 ? 48.817 24.625  -7.262  1.00 12.58 ?  215 TYR   A CZ   1 
ATOM   3450 O  OH   . TYR   A 1 215 ? 50.000 24.808  -7.960  1.00 13.92 ?  215 TYR   A OH   1 
ATOM   3451 H  H    . TYR   A 1 215 ? 45.718 26.037  -3.442  1.00 14.71 ?  215 TYR   A H    1 
ATOM   3452 H  HA   . TYR   A 1 215 ? 44.505 26.020  -5.856  1.00 14.56 ?  215 TYR   A HA   1 
ATOM   3453 H  HB2  . TYR   A 1 215 ? 45.303 23.830  -4.237  1.00 14.06 ?  215 TYR   A HB2  1 
ATOM   3454 H  HB3  . TYR   A 1 215 ? 44.530 23.663  -5.623  1.00 15.01 ?  215 TYR   A HB3  1 
ATOM   3455 H  HD1  . TYR   A 1 215 ? 45.635 24.364  -7.688  1.00 13.11 ?  215 TYR   A HD1  1 
ATOM   3456 H  HD2  . TYR   A 1 215 ? 47.658 24.344  -4.254  1.00 13.21 ?  215 TYR   A HD2  1 
ATOM   3457 H  HE1  . TYR   A 1 215 ? 47.598 24.611  -8.861  1.00 13.55 ?  215 TYR   A HE1  1 
ATOM   3458 H  HE2  . TYR   A 1 215 ? 49.642 24.593  -5.416  1.00 12.44 ?  215 TYR   A HE2  1 
ATOM   3459 H  HH   . TYR   A 1 215 ? 49.988 25.485  -8.382  0.00 14.15 ?  215 TYR   A HH   1 
ATOM   3460 N  N    . ARG   A 1 216 ? 42.881 26.288  -3.325  1.00 15.87 ?  216 ARG   A N    1 
ATOM   3461 C  CA   . ARG   A 1 216 ? 41.541 26.227  -2.731  1.00 16.82 ?  216 ARG   A CA   1 
ATOM   3462 C  C    . ARG   A 1 216 ? 40.423 26.618  -3.724  1.00 17.24 ?  216 ARG   A C    1 
ATOM   3463 O  O    . ARG   A 1 216 ? 39.379 25.958  -3.787  1.00 16.98 ?  216 ARG   A O    1 
ATOM   3464 C  CB   . ARG   A 1 216 ? 41.471 27.052  -1.441  1.00 17.83 ?  216 ARG   A CB   1 
ATOM   3465 C  CG   . ARG   A 1 216 ? 42.306 26.488  -0.296  1.00 20.37 ?  216 ARG   A CG   1 
ATOM   3466 C  CD   . ARG   A 1 216 ? 41.643 25.290  0.365   1.00 20.75 ?  216 ARG   A CD   1 
ATOM   3467 N  NE   . ARG   A 1 216 ? 40.326 25.613  0.921   1.00 21.52 ?  216 ARG   A NE   1 
ATOM   3468 C  CZ   . ARG   A 1 216 ? 40.108 26.146  2.120   1.00 21.51 ?  216 ARG   A CZ   1 
ATOM   3469 N  NH1  . ARG   A 1 216 ? 41.110 26.436  2.944   1.00 21.27 ?  216 ARG   A NH1  1 
ATOM   3470 N  NH2  . ARG   A 1 216 ? 38.857 26.387  2.510   1.00 25.30 ?  216 ARG   A NH2  1 
ATOM   3471 H  H    . ARG   A 1 216 ? 43.434 26.804  -2.917  1.00 16.26 ?  216 ARG   A H    1 
ATOM   3472 H  HA   . ARG   A 1 216 ? 41.372 25.295  -2.480  1.00 17.09 ?  216 ARG   A HA   1 
ATOM   3473 H  HB2  . ARG   A 1 216 ? 41.799 27.946  -1.622  1.00 18.11 ?  216 ARG   A HB2  1 
ATOM   3474 H  HB3  . ARG   A 1 216 ? 40.548 27.100  -1.150  1.00 18.07 ?  216 ARG   A HB3  1 
ATOM   3475 H  HG2  . ARG   A 1 216 ? 43.168 26.205  -0.637  1.00 19.48 ?  216 ARG   A HG2  1 
ATOM   3476 H  HG3  . ARG   A 1 216 ? 42.425 27.175  0.378   1.00 19.87 ?  216 ARG   A HG3  1 
ATOM   3477 H  HD2  . ARG   A 1 216 ? 41.517 24.596  -0.300  1.00 21.22 ?  216 ARG   A HD2  1 
ATOM   3478 H  HD3  . ARG   A 1 216 ? 42.213 24.957  1.074   1.00 20.36 ?  216 ARG   A HD3  1 
ATOM   3479 H  HE   . ARG   A 1 216 ? 39.554 25.427  0.363   1.00 22.43 ?  216 ARG   A HE   1 
ATOM   3480 H  HH11 . ARG   A 1 216 ? 41.925 26.290  2.719   1.00 20.93 ?  216 ARG   A HH11 1 
ATOM   3481 H  HH12 . ARG   A 1 216 ? 40.943 26.780  3.715   1.00 20.95 ?  216 ARG   A HH12 1 
ATOM   3482 H  HH21 . ARG   A 1 216 ? 38.198 26.204  1.988   1.00 24.65 ?  216 ARG   A HH21 1 
ATOM   3483 H  HH22 . ARG   A 1 216 ? 38.704 26.731  3.283   1.00 24.27 ?  216 ARG   A HH22 1 
ATOM   3484 N  N    . PRO   A 1 217 ? 40.631 27.674  -4.527  1.00 17.84 ?  217 PRO   A N    1 
ATOM   3485 C  CA   . PRO   A 1 217 ? 39.577 27.972  -5.512  1.00 17.87 ?  217 PRO   A CA   1 
ATOM   3486 C  C    . PRO   A 1 217 ? 39.315 26.838  -6.508  1.00 18.06 ?  217 PRO   A C    1 
ATOM   3487 O  O    . PRO   A 1 217 ? 38.159 26.496  -6.792  1.00 19.00 ?  217 PRO   A O    1 
ATOM   3488 C  CB   . PRO   A 1 217 ? 40.115 29.230  -6.224  1.00 18.79 ?  217 PRO   A CB   1 
ATOM   3489 C  CG   . PRO   A 1 217 ? 40.967 29.884  -5.181  1.00 19.51 ?  217 PRO   A CG   1 
ATOM   3490 C  CD   . PRO   A 1 217 ? 41.650 28.732  -4.477  1.00 18.57 ?  217 PRO   A CD   1 
ATOM   3491 H  HA   . PRO   A 1 217 ? 38.740 28.198  -5.055  1.00 18.06 ?  217 PRO   A HA   1 
ATOM   3492 H  HB2  . PRO   A 1 217 ? 40.645 28.977  -6.995  1.00 19.31 ?  217 PRO   A HB2  1 
ATOM   3493 H  HB3  . PRO   A 1 217 ? 39.378 29.806  -6.481  1.00 18.27 ?  217 PRO   A HB3  1 
ATOM   3494 H  HG2  . PRO   A 1 217 ? 41.618 30.463  -5.607  1.00 19.87 ?  217 PRO   A HG2  1 
ATOM   3495 H  HG3  . PRO   A 1 217 ? 40.406 30.386  -4.571  1.00 19.73 ?  217 PRO   A HG3  1 
ATOM   3496 H  HD2  . PRO   A 1 217 ? 42.446 28.462  -4.960  1.00 18.55 ?  217 PRO   A HD2  1 
ATOM   3497 H  HD3  . PRO   A 1 217 ? 41.855 28.968  -3.562  1.00 19.05 ?  217 PRO   A HD3  1 
ATOM   3498 N  N    . TRP   A 1 218 ? 40.376 26.209  -6.994  1.00 16.89 ?  218 TRP   A N    1 
ATOM   3499 C  CA   . TRP   A 1 218 ? 40.202 25.111  -7.931  1.00 16.76 ?  218 TRP   A CA   1 
ATOM   3500 C  C    . TRP   A 1 218 ? 39.515 23.892  -7.287  1.00 16.38 ?  218 TRP   A C    1 
ATOM   3501 O  O    . TRP   A 1 218 ? 38.604 23.304  -7.875  1.00 16.46 ?  218 TRP   A O    1 
ATOM   3502 C  CB   . TRP   A 1 218 ? 41.545 24.712  -8.527  1.00 16.14 ?  218 TRP   A CB   1 
ATOM   3503 C  CG   . TRP   A 1 218 ? 41.440 23.524  -9.408  1.00 17.38 ?  218 TRP   A CG   1 
ATOM   3504 C  CD1  . TRP   A 1 218 ? 40.974 23.503  -10.672 1.00 18.89 ?  218 TRP   A CD1  1 
ATOM   3505 C  CD2  . TRP   A 1 218 ? 41.788 22.171  -9.082  1.00 14.29 ?  218 TRP   A CD2  1 
ATOM   3506 N  NE1  . TRP   A 1 218 ? 40.997 22.226  -11.172 1.00 19.03 ?  218 TRP   A NE1  1 
ATOM   3507 C  CE2  . TRP   A 1 218 ? 41.490 21.382  -10.213 1.00 16.47 ?  218 TRP   A CE2  1 
ATOM   3508 C  CE3  . TRP   A 1 218 ? 42.308 21.555  -7.944  1.00 14.96 ?  218 TRP   A CE3  1 
ATOM   3509 C  CZ2  . TRP   A 1 218 ? 41.710 20.002  -10.242 1.00 16.11 ?  218 TRP   A CZ2  1 
ATOM   3510 C  CZ3  . TRP   A 1 218 ? 42.517 20.177  -7.962  1.00 14.07 ?  218 TRP   A CZ3  1 
ATOM   3511 C  CH2  . TRP   A 1 218 ? 42.222 19.423  -9.111  1.00 14.26 ?  218 TRP   A CH2  1 
ATOM   3512 H  H    . TRP   A 1 218 ? 41.193 26.397  -6.802  1.00 17.27 ?  218 TRP   A H    1 
ATOM   3513 H  HA   . TRP   A 1 218 ? 39.634 25.414  -8.670  1.00 16.15 ?  218 TRP   A HA   1 
ATOM   3514 H  HB2  . TRP   A 1 218 ? 41.890 25.449  -9.054  1.00 16.00 ?  218 TRP   A HB2  1 
ATOM   3515 H  HB3  . TRP   A 1 218 ? 42.161 24.498  -7.809  1.00 16.27 ?  218 TRP   A HB3  1 
ATOM   3516 H  HD1  . TRP   A 1 218 ? 40.674 24.249  -11.139 1.00 17.61 ?  218 TRP   A HD1  1 
ATOM   3517 H  HE1  . TRP   A 1 218 ? 40.747 21.995  -11.962 1.00 18.34 ?  218 TRP   A HE1  1 
ATOM   3518 H  HE3  . TRP   A 1 218 ? 42.497 22.053  -7.181  1.00 14.76 ?  218 TRP   A HE3  1 
ATOM   3519 H  HZ2  . TRP   A 1 218 ? 41.518 19.497  -10.998 1.00 15.77 ?  218 TRP   A HZ2  1 
ATOM   3520 H  HZ3  . TRP   A 1 218 ? 42.869 19.755  -7.212  1.00 14.05 ?  218 TRP   A HZ3  1 
ATOM   3521 H  HH2  . TRP   A 1 218 ? 42.381 18.508  -9.102  1.00 14.15 ?  218 TRP   A HH2  1 
ATOM   3522 N  N    . ILE   A 1 219 ? 39.942 23.546  -6.077  1.00 15.34 ?  219 ILE   A N    1 
ATOM   3523 C  CA   . ILE   A 1 219 ? 39.317 22.459  -5.321  1.00 15.74 ?  219 ILE   A CA   1 
ATOM   3524 C  C    . ILE   A 1 219 ? 37.819 22.739  -5.185  1.00 17.05 ?  219 ILE   A C    1 
ATOM   3525 O  O    . ILE   A 1 219 ? 36.999 21.881  -5.492  1.00 16.77 ?  219 ILE   A O    1 
ATOM   3526 C  CB   . ILE   A 1 219 ? 39.963 22.292  -3.931  1.00 14.27 ?  219 ILE   A CB   1 
ATOM   3527 C  CG1  . ILE   A 1 219 ? 41.423 21.798  -4.075  1.00 15.36 ?  219 ILE   A CG1  1 
ATOM   3528 C  CG2  . ILE   A 1 219 ? 39.169 21.313  -3.078  1.00 15.57 ?  219 ILE   A CG2  1 
ATOM   3529 C  CD1  . ILE   A 1 219 ? 42.279 21.993  -2.836  1.00 16.21 ?  219 ILE   A CD1  1 
ATOM   3530 H  H    . ILE   A 1 219 ? 40.592 23.933  -5.669  1.00 15.88 ?  219 ILE   A H    1 
ATOM   3531 H  HA   . ILE   A 1 219 ? 39.428 21.618  -5.812  1.00 15.92 ?  219 ILE   A HA   1 
ATOM   3532 H  HB   . ILE   A 1 219 ? 39.970 23.154  -3.487  1.00 14.72 ?  219 ILE   A HB   1 
ATOM   3533 H  HG12 . ILE   A 1 219 ? 41.407 20.848  -4.272  1.00 15.33 ?  219 ILE   A HG12 1 
ATOM   3534 H  HG13 . ILE   A 1 219 ? 41.852 22.271  -4.804  1.00 15.19 ?  219 ILE   A HG13 1 
ATOM   3535 H  HG21 . ILE   A 1 219 ? 38.346 21.723  -2.799  1.00 15.26 ?  219 ILE   A HG21 1 
ATOM   3536 H  HG22 . ILE   A 1 219 ? 39.685 21.077  -2.303  1.00 15.78 ?  219 ILE   A HG22 1 
ATOM   3537 H  HG23 . ILE   A 1 219 ? 38.984 20.525  -3.598  1.00 15.95 ?  219 ILE   A HG23 1 
ATOM   3538 H  HD11 . ILE   A 1 219 ? 42.257 22.920  -2.585  1.00 15.88 ?  219 ILE   A HD11 1 
ATOM   3539 H  HD12 . ILE   A 1 219 ? 43.180 21.730  -3.037  1.00 15.80 ?  219 ILE   A HD12 1 
ATOM   3540 H  HD13 . ILE   A 1 219 ? 41.932 21.452  -2.124  1.00 15.72 ?  219 ILE   A HD13 1 
ATOM   3541 N  N    . ASN   A 1 220 ? 37.473 23.957  -4.766  1.00 17.37 ?  220 ASN   A N    1 
ATOM   3542 C  CA   A ASN   A 1 220 ? 36.069 24.345  -4.589  0.50 19.42 ?  220 ASN   A CA   1 
ATOM   3543 C  CA   B ASN   A 1 220 ? 36.075 24.331  -4.569  0.50 19.06 ?  220 ASN   A CA   1 
ATOM   3544 C  C    . ASN   A 1 220 ? 35.291 24.233  -5.884  1.00 18.75 ?  220 ASN   A C    1 
ATOM   3545 O  O    . ASN   A 1 220 ? 34.157 23.766  -5.906  1.00 18.88 ?  220 ASN   A O    1 
ATOM   3546 C  CB   A ASN   A 1 220 ? 35.964 25.776  -4.071  0.50 21.60 ?  220 ASN   A CB   1 
ATOM   3547 C  CB   B ASN   A 1 220 ? 36.002 25.742  -3.975  0.50 19.80 ?  220 ASN   A CB   1 
ATOM   3548 C  CG   A ASN   A 1 220 ? 36.248 25.875  -2.598  0.50 24.41 ?  220 ASN   A CG   1 
ATOM   3549 C  CG   B ASN   A 1 220 ? 34.582 26.211  -3.733  0.50 21.23 ?  220 ASN   A CG   1 
ATOM   3550 O  OD1  A ASN   A 1 220 ? 36.148 24.885  -1.878  0.50 31.11 ?  220 ASN   A OD1  1 
ATOM   3551 O  OD1  B ASN   A 1 220 ? 33.913 25.747  -2.818  0.50 21.01 ?  220 ASN   A OD1  1 
ATOM   3552 N  ND2  A ASN   A 1 220 ? 36.606 27.065  -2.137  0.50 25.46 ?  220 ASN   A ND2  1 
ATOM   3553 N  ND2  B ASN   A 1 220 ? 34.124 27.148  -4.553  0.50 22.55 ?  220 ASN   A ND2  1 
ATOM   3554 H  H    . ASN   A 1 220 ? 38.037 24.579  -4.581  1.00 17.86 ?  220 ASN   A H    1 
ATOM   3555 H  HA   A ASN   A 1 220 ? 35.653 23.751  -3.930  0.50 19.21 ?  220 ASN   A HA   1 
ATOM   3556 H  HA   B ASN   A 1 220 ? 35.667 23.712  -3.928  0.50 18.82 ?  220 ASN   A HA   1 
ATOM   3557 H  HB2  A ASN   A 1 220 ? 36.602 26.336  -4.541  0.50 21.25 ?  220 ASN   A HB2  1 
ATOM   3558 H  HB2  B ASN   A 1 220 ? 36.468 25.750  -3.125  0.50 19.98 ?  220 ASN   A HB2  1 
ATOM   3559 H  HB3  A ASN   A 1 220 ? 35.064 26.105  -4.221  0.50 21.32 ?  220 ASN   A HB3  1 
ATOM   3560 H  HB3  B ASN   A 1 220 ? 36.422 26.365  -4.589  0.50 19.81 ?  220 ASN   A HB3  1 
ATOM   3561 H  HD21 A ASN   A 1 220 ? 36.806 27.182  -1.185  0.50 24.75 ?  220 ASN   A HD21 1 
ATOM   3562 H  HD21 B ASN   A 1 220 ? 33.209 27.484  -4.450  0.50 21.42 ?  220 ASN   A HD21 1 
ATOM   3563 H  HD22 A ASN   A 1 220 ? 36.670 27.828  -2.749  0.50 24.65 ?  220 ASN   A HD22 1 
ATOM   3564 H  HD22 B ASN   A 1 220 ? 34.699 27.503  -5.263  0.50 20.83 ?  220 ASN   A HD22 1 
ATOM   3565 N  N    . GLN   A 1 221 ? 35.908 24.665  -6.973  1.00 17.67 ?  221 GLN   A N    1 
ATOM   3566 C  CA   . GLN   A 1 221 ? 35.299 24.606  -8.295  1.00 21.88 ?  221 GLN   A CA   1 
ATOM   3567 C  C    . GLN   A 1 221 ? 34.938 23.172  -8.678  1.00 21.07 ?  221 GLN   A C    1 
ATOM   3568 O  O    . GLN   A 1 221 ? 33.826 22.892  -9.109  1.00 21.64 ?  221 GLN   A O    1 
ATOM   3569 C  CB   . GLN   A 1 221 ? 36.262 25.217  -9.321  1.00 25.98 ?  221 GLN   A CB   1 
ATOM   3570 C  CG   . GLN   A 1 221 ? 35.819 25.183  -10.772 1.00 32.22 ?  221 GLN   A CG   1 
ATOM   3571 C  CD   . GLN   A 1 221 ? 36.995 25.405  -11.711 1.00 37.57 ?  221 GLN   A CD   1 
ATOM   3572 O  OE1  . GLN   A 1 221 ? 37.691 26.428  -11.623 1.00 45.89 ?  221 GLN   A OE1  1 
ATOM   3573 N  NE2  . GLN   A 1 221 ? 37.243 24.439  -12.598 1.00 37.99 ?  221 GLN   A NE2  1 
ATOM   3574 H  H    . GLN   A 1 221 ? 36.696 25.010  -6.972  1.00 19.41 ?  221 GLN   A H    1 
ATOM   3575 H  HA   . GLN   A 1 221 ? 34.476 25.139  -8.294  1.00 20.98 ?  221 GLN   A HA   1 
ATOM   3576 H  HB2  . GLN   A 1 221 ? 36.405 26.147  -9.086  1.00 25.88 ?  221 GLN   A HB2  1 
ATOM   3577 H  HB3  . GLN   A 1 221 ? 37.104 24.741  -9.269  1.00 25.18 ?  221 GLN   A HB3  1 
ATOM   3578 H  HG2  . GLN   A 1 221 ? 35.420 24.324  -10.976 1.00 31.40 ?  221 GLN   A HG2  1 
ATOM   3579 H  HG3  . GLN   A 1 221 ? 35.175 25.892  -10.923 1.00 31.01 ?  221 GLN   A HG3  1 
ATOM   3580 H  HE21 . GLN   A 1 221 ? 37.890 24.530  -13.158 1.00 36.97 ?  221 GLN   A HE21 1 
ATOM   3581 H  HE22 . GLN   A 1 221 ? 36.761 23.727  -12.616 1.00 36.49 ?  221 GLN   A HE22 1 
ATOM   3582 N  N    . ILE   A 1 222 ? 35.875 22.244  -8.488  1.00 18.64 ?  222 ILE   A N    1 
ATOM   3583 C  CA   . ILE   A 1 222 ? 35.633 20.857  -8.849  1.00 18.08 ?  222 ILE   A CA   1 
ATOM   3584 C  C    . ILE   A 1 222 ? 34.538 20.267  -7.955  1.00 17.08 ?  222 ILE   A C    1 
ATOM   3585 O  O    . ILE   A 1 222 ? 33.630 19.596  -8.456  1.00 19.82 ?  222 ILE   A O    1 
ATOM   3586 C  CB   . ILE   A 1 222 ? 36.922 20.009  -8.719  1.00 16.74 ?  222 ILE   A CB   1 
ATOM   3587 C  CG1  . ILE   A 1 222 ? 38.001 20.467  -9.712  1.00 18.35 ?  222 ILE   A CG1  1 
ATOM   3588 C  CG2  . ILE   A 1 222 ? 36.620 18.534  -8.936  1.00 17.20 ?  222 ILE   A CG2  1 
ATOM   3589 C  CD1  . ILE   A 1 222 ? 37.654 20.325  -11.176 1.00 20.63 ?  222 ILE   A CD1  1 
ATOM   3590 H  H    . ILE   A 1 222 ? 36.650 22.397  -8.148  1.00 18.64 ?  222 ILE   A H    1 
ATOM   3591 H  HA   . ILE   A 1 222 ? 35.319 20.810  -9.775  1.00 17.74 ?  222 ILE   A HA   1 
ATOM   3592 H  HB   . ILE   A 1 222 ? 37.270 20.118  -7.820  1.00 17.52 ?  222 ILE   A HB   1 
ATOM   3593 H  HG12 . ILE   A 1 222 ? 38.194 21.403  -9.555  1.00 18.59 ?  222 ILE   A HG12 1 
ATOM   3594 H  HG13 . ILE   A 1 222 ? 38.803 19.945  -9.554  1.00 18.17 ?  222 ILE   A HG13 1 
ATOM   3595 H  HG21 . ILE   A 1 222 ? 36.199 18.173  -8.152  1.00 17.47 ?  222 ILE   A HG21 1 
ATOM   3596 H  HG22 . ILE   A 1 222 ? 37.444 18.067  -9.101  1.00 17.28 ?  222 ILE   A HG22 1 
ATOM   3597 H  HG23 . ILE   A 1 222 ? 36.037 18.443  -9.695  1.00 17.49 ?  222 ILE   A HG23 1 
ATOM   3598 H  HD11 . ILE   A 1 222 ? 37.457 19.406  -11.371 1.00 20.02 ?  222 ILE   A HD11 1 
ATOM   3599 H  HD12 . ILE   A 1 222 ? 38.407 20.611  -11.699 1.00 20.27 ?  222 ILE   A HD12 1 
ATOM   3600 H  HD13 . ILE   A 1 222 ? 36.894 20.874  -11.380 1.00 20.01 ?  222 ILE   A HD13 1 
ATOM   3601 N  N    . LEU   A 1 223 ? 34.620 20.515  -6.651  1.00 17.54 ?  223 LEU   A N    1 
ATOM   3602 C  CA   . LEU   A 1 223 ? 33.652 19.966  -5.692  1.00 19.26 ?  223 LEU   A CA   1 
ATOM   3603 C  C    . LEU   A 1 223 ? 32.230 20.492  -5.910  1.00 23.03 ?  223 LEU   A C    1 
ATOM   3604 O  O    . LEU   A 1 223 ? 31.269 19.759  -5.706  1.00 24.86 ?  223 LEU   A O    1 
ATOM   3605 C  CB   . LEU   A 1 223 ? 34.073 20.248  -4.257  1.00 17.73 ?  223 LEU   A CB   1 
ATOM   3606 C  CG   . LEU   A 1 223 ? 35.359 19.592  -3.760  1.00 19.68 ?  223 LEU   A CG   1 
ATOM   3607 C  CD1  . LEU   A 1 223 ? 35.640 19.938  -2.306  1.00 20.20 ?  223 LEU   A CD1  1 
ATOM   3608 C  CD2  . LEU   A 1 223 ? 35.297 18.089  -3.956  1.00 20.30 ?  223 LEU   A CD2  1 
ATOM   3609 H  H    . LEU   A 1 223 ? 35.231 21.000  -6.290  1.00 18.86 ?  223 LEU   A H    1 
ATOM   3610 H  HA   . LEU   A 1 223 ? 33.614 18.996  -5.813  1.00 19.74 ?  223 LEU   A HA   1 
ATOM   3611 H  HB2  . LEU   A 1 223 ? 34.186 21.206  -4.159  1.00 18.32 ?  223 LEU   A HB2  1 
ATOM   3612 H  HB3  . LEU   A 1 223 ? 33.360 19.950  -3.669  1.00 17.56 ?  223 LEU   A HB3  1 
ATOM   3613 H  HG   . LEU   A 1 223 ? 36.102 19.920  -4.287  1.00 19.50 ?  223 LEU   A HG   1 
ATOM   3614 H  HD11 . LEU   A 1 223 ? 35.713 20.892  -2.221  1.00 19.95 ?  223 LEU   A HD11 1 
ATOM   3615 H  HD12 . LEU   A 1 223 ? 36.461 19.521  -2.037  1.00 19.76 ?  223 LEU   A HD12 1 
ATOM   3616 H  HD13 . LEU   A 1 223 ? 34.915 19.615  -1.766  1.00 19.96 ?  223 LEU   A HD13 1 
ATOM   3617 H  HD21 . LEU   A 1 223 ? 34.456 17.764  -3.623  1.00 20.51 ?  223 LEU   A HD21 1 
ATOM   3618 H  HD22 . LEU   A 1 223 ? 36.020 17.682  -3.472  1.00 19.62 ?  223 LEU   A HD22 1 
ATOM   3619 H  HD23 . LEU   A 1 223 ? 35.382 17.888  -4.892  1.00 20.12 ?  223 LEU   A HD23 1 
ATOM   3620 N  N    . GLN   A 1 224 ? 32.100 21.753  -6.314  1.00 23.94 ?  224 GLN   A N    1 
ATOM   3621 C  CA   . GLN   A 1 224 ? 30.765 22.319  -6.558  1.00 26.13 ?  224 GLN   A CA   1 
ATOM   3622 C  C    . GLN   A 1 224 ? 30.166 21.832  -7.881  1.00 27.15 ?  224 GLN   A C    1 
ATOM   3623 O  O    . GLN   A 1 224 ? 28.941 21.765  -8.011  1.00 33.85 ?  224 GLN   A O    1 
ATOM   3624 C  CB   . GLN   A 1 224 ? 30.816 23.854  -6.503  1.00 29.38 ?  224 GLN   A CB   1 
ATOM   3625 C  CG   . GLN   A 1 224 ? 31.090 24.423  -5.114  1.00 32.49 ?  224 GLN   A CG   1 
ATOM   3626 C  CD   . GLN   A 1 224 ? 30.052 24.014  -4.071  1.00 40.26 ?  224 GLN   A CD   1 
ATOM   3627 O  OE1  . GLN   A 1 224 ? 28.861 23.864  -4.375  1.00 45.07 ?  224 GLN   A OE1  1 
ATOM   3628 N  NE2  . GLN   A 1 224 ? 30.501 23.830  -2.831  1.00 43.76 ?  224 GLN   A NE2  1 
ATOM   3629 H  H    . GLN   A 1 224 ? 32.752 22.296  -6.453  1.00 25.53 ?  224 GLN   A H    1 
ATOM   3630 H  HA   . GLN   A 1 224 ? 30.161 22.020  -5.847  1.00 27.50 ?  224 GLN   A HA   1 
ATOM   3631 H  HB2  . GLN   A 1 224 ? 31.520 24.166  -7.093  1.00 29.50 ?  224 GLN   A HB2  1 
ATOM   3632 H  HB3  . GLN   A 1 224 ? 29.963 24.205  -6.801  1.00 29.19 ?  224 GLN   A HB3  1 
ATOM   3633 H  HG2  . GLN   A 1 224 ? 31.954 24.107  -4.811  1.00 31.67 ?  224 GLN   A HG2  1 
ATOM   3634 H  HG3  . GLN   A 1 224 ? 31.092 25.391  -5.167  1.00 32.60 ?  224 GLN   A HG3  1 
ATOM   3635 H  HE21 . GLN   A 1 224 ? 29.977 23.508  -2.229  1.00 44.01 ?  224 GLN   A HE21 1 
ATOM   3636 H  HE22 . GLN   A 1 224 ? 31.312 24.034  -2.628  1.00 41.28 ?  224 GLN   A HE22 1 
ATOM   3637 N  N    . ALA   A 1 225 ? 31.013 21.505  -8.854  1.00 25.61 ?  225 ALA   A N    1 
ATOM   3638 C  CA   . ALA   A 1 225 ? 30.573 21.097  -10.201 1.00 26.57 ?  225 ALA   A CA   1 
ATOM   3639 C  C    . ALA   A 1 225 ? 30.384 19.592  -10.367 1.00 28.20 ?  225 ALA   A C    1 
ATOM   3640 O  O    . ALA   A 1 225 ? 29.933 19.130  -11.418 1.00 28.10 ?  225 ALA   A O    1 
ATOM   3641 C  CB   . ALA   A 1 225 ? 31.554 21.595  -11.246 1.00 28.18 ?  225 ALA   A CB   1 
ATOM   3642 H  H    . ALA   A 1 225 ? 31.868 21.511  -8.767  1.00 26.20 ?  225 ALA   A H    1 
ATOM   3643 H  HA   . ALA   A 1 225 ? 29.711 21.521  -10.395 1.00 26.00 ?  225 ALA   A HA   1 
ATOM   3644 H  HB1  . ALA   A 1 225 ? 31.616 22.551  -11.184 1.00 28.28 ?  225 ALA   A HB1  1 
ATOM   3645 H  HB2  . ALA   A 1 225 ? 31.239 21.346  -12.118 1.00 27.61 ?  225 ALA   A HB2  1 
ATOM   3646 H  HB3  . ALA   A 1 225 ? 32.413 21.200  -11.081 1.00 27.39 ?  225 ALA   A HB3  1 
ATOM   3647 N  N    . ASN   A 1 226 ? 30.748 18.815  -9.355  1.00 26.14 ?  226 ASN   A N    1 
ATOM   3648 C  CA   . ASN   A 1 226 ? 30.725 17.360  -9.487  1.00 25.61 ?  226 ASN   A CA   1 
ATOM   3649 C  C    . ASN   A 1 226 ? 30.096 16.701  -8.279  1.00 28.21 ?  226 ASN   A C    1 
ATOM   3650 O  O    . ASN   A 1 226 ? 30.371 15.550  -7.935  1.00 26.07 ?  226 ASN   A O    1 
ATOM   3651 C  CB   . ASN   A 1 226 ? 32.142 16.847  -9.736  1.00 23.89 ?  226 ASN   A CB   1 
ATOM   3652 C  CG   . ASN   A 1 226 ? 32.659 17.249  -11.101 1.00 23.83 ?  226 ASN   A CG   1 
ATOM   3653 O  OD1  . ASN   A 1 226 ? 32.321 16.618  -12.106 1.00 27.79 ?  226 ASN   A OD1  1 
ATOM   3654 N  ND2  . ASN   A 1 226 ? 33.458 18.317  -11.156 1.00 26.21 ?  226 ASN   A ND2  1 
ATOM   3655 O  OXT  . ASN   A 1 226 ? 29.245 17.315  -7.635  1.00 35.87 ?  226 ASN   A OXT  1 
ATOM   3656 H  H    . ASN   A 1 226 ? 31.012 19.093  -8.586  1.00 26.42 ?  226 ASN   A H    1 
ATOM   3657 H  HA   . ASN   A 1 226 ? 30.182 17.104  -10.262 1.00 26.63 ?  226 ASN   A HA   1 
ATOM   3658 H  HB2  . ASN   A 1 226 ? 32.737 17.203  -9.059  1.00 24.73 ?  226 ASN   A HB2  1 
ATOM   3659 H  HB3  . ASN   A 1 226 ? 32.143 15.878  -9.701  1.00 25.14 ?  226 ASN   A HB3  1 
ATOM   3660 H  HD21 . ASN   A 1 226 ? 33.865 18.579  -12.008 1.00 26.53 ?  226 ASN   A HD21 1 
ATOM   3661 H  HD22 . ASN   A 1 226 ? 33.640 18.841  -10.348 1.00 25.47 ?  226 ASN   A HD22 1 
HETATM 3662 ZN ZN   . ZN    B 2 .   ? 42.013 -1.881  12.690  1.00 10.51 2  301 ZN    A ZN   1 
HETATM 3663 CL CL   . CL    C 3 .   ? 58.768 12.435  14.232  1.00 23.31 -1 302 CL    A CL   1 
HETATM 3664 CL CL   . CL    D 3 .   ? 48.529 15.963  12.927  1.00 27.14 -1 303 CL    A CL   1 
HETATM 3665 CL CL   . CL    E 3 .   ? 68.789 18.357  -6.435  1.00 39.62 -1 304 CL    A CL   1 
HETATM 3666 C  C1   . GOL   F 4 .   ? 43.277 -3.067  -0.040  1.00 31.91 ?  305 GOL   A C1   1 
HETATM 3667 O  O1   . GOL   F 4 .   ? 42.686 -2.579  -1.242  1.00 38.31 ?  305 GOL   A O1   1 
HETATM 3668 C  C2   . GOL   F 4 .   ? 44.633 -3.663  -0.352  1.00 33.92 ?  305 GOL   A C2   1 
HETATM 3669 O  O2   . GOL   F 4 .   ? 45.227 -4.199  0.819   1.00 35.75 ?  305 GOL   A O2   1 
HETATM 3670 C  C3   . GOL   F 4 .   ? 45.601 -2.604  -0.825  1.00 27.41 ?  305 GOL   A C3   1 
HETATM 3671 O  O3   . GOL   F 4 .   ? 46.702 -3.306  -1.407  1.00 31.64 ?  305 GOL   A O3   1 
HETATM 3672 H  H11  . GOL   F 4 .   ? 43.390 -2.263  0.687   1.00 26.98 ?  305 GOL   A H11  1 
HETATM 3673 H  H12  . GOL   F 4 .   ? 42.628 -3.830  0.391   1.00 31.09 ?  305 GOL   A H12  1 
HETATM 3674 H  HO1  . GOL   F 4 .   ? 41.817 -2.215  -1.036  0.00 37.38 ?  305 GOL   A HO1  1 
HETATM 3675 H  H2   . GOL   F 4 .   ? 44.528 -4.437  -1.125  1.00 34.47 ?  305 GOL   A H2   1 
HETATM 3676 H  HO2  . GOL   F 4 .   ? 46.085 -4.598  0.607   0.00 35.98 ?  305 GOL   A HO2  1 
HETATM 3677 H  H31  . GOL   F 4 .   ? 45.134 -1.936  -1.542  1.00 30.16 ?  305 GOL   A H31  1 
HETATM 3678 H  H32  . GOL   F 4 .   ? 45.945 -2.005  0.015   1.00 24.84 ?  305 GOL   A H32  1 
HETATM 3679 H  HO3  . GOL   F 4 .   ? 46.929 -4.081  -0.865  1.00 32.01 ?  305 GOL   A HO3  1 
HETATM 3680 C  C1   . GOL   G 4 .   ? 75.302 16.940  9.780   1.00 26.72 ?  306 GOL   A C1   1 
HETATM 3681 O  O1   . GOL   G 4 .   ? 75.392 18.278  9.322   1.00 23.43 ?  306 GOL   A O1   1 
HETATM 3682 C  C2   . GOL   G 4 .   ? 74.272 16.232  8.902   1.00 31.71 ?  306 GOL   A C2   1 
HETATM 3683 O  O2   . GOL   G 4 .   ? 73.643 17.088  7.944   1.00 37.40 ?  306 GOL   A O2   1 
HETATM 3684 C  C3   . GOL   G 4 .   ? 73.169 15.731  9.781   1.00 26.52 ?  306 GOL   A C3   1 
HETATM 3685 O  O3   . GOL   G 4 .   ? 72.818 16.823  10.598  1.00 20.69 ?  306 GOL   A O3   1 
HETATM 3686 H  H11  . GOL   G 4 .   ? 76.264 16.435  9.702   1.00 26.80 ?  306 GOL   A H11  1 
HETATM 3687 H  H12  . GOL   G 4 .   ? 75.015 16.927  10.833  1.00 26.94 ?  306 GOL   A H12  1 
HETATM 3688 H  HO1  . GOL   G 4 .   ? 76.053 18.748  9.880   0.00 25.23 ?  306 GOL   A HO1  1 
HETATM 3689 H  H2   . GOL   G 4 .   ? 74.760 15.398  8.394   1.00 32.60 ?  306 GOL   A H2   1 
HETATM 3690 H  HO2  . GOL   G 4 .   ? 72.956 16.573  7.477   0.00 30.99 ?  306 GOL   A HO2  1 
HETATM 3691 H  H31  . GOL   G 4 .   ? 72.319 15.439  9.167   1.00 24.93 ?  306 GOL   A H31  1 
HETATM 3692 H  H32  . GOL   G 4 .   ? 73.513 14.873  10.357  1.00 25.39 ?  306 GOL   A H32  1 
HETATM 3693 H  HO3  . GOL   G 4 .   ? 72.638 17.603  10.043  1.00 20.84 ?  306 GOL   A HO3  1 
HETATM 3694 C  C4   . A1AO4 H 5 .   ? 58.501 9.678   -7.091  1.00 12.88 ?  307 A1AO4 A C4   1 
HETATM 3695 C  C6   . A1AO4 H 5 .   ? 60.003 10.792  -5.308  1.00 12.40 ?  307 A1AO4 A C6   1 
HETATM 3696 C  C7   . A1AO4 H 5 .   ? 56.428 8.229   -6.461  1.00 12.60 ?  307 A1AO4 A C7   1 
HETATM 3697 C  C10  . A1AO4 H 5 .   ? 56.145 6.755   -6.386  1.00 13.48 ?  307 A1AO4 A C10  1 
HETATM 3698 C  C13  . A1AO4 H 5 .   ? 60.581 12.026  -3.071  1.00 12.78 ?  307 A1AO4 A C13  1 
HETATM 3699 C  C15  . A1AO4 H 5 .   ? 57.867 10.630  -8.101  1.00 12.78 ?  307 A1AO4 A C15  1 
HETATM 3700 C  C20  . A1AO4 H 5 .   ? 58.636 12.462  -1.674  1.00 11.71 ?  307 A1AO4 A C20  1 
HETATM 3701 C  C21  . A1AO4 H 5 .   ? 55.152 6.738   -8.717  1.00 13.74 ?  307 A1AO4 A C21  1 
HETATM 3702 C  C24  . A1AO4 H 5 .   ? 57.741 12.003  -7.877  1.00 13.71 ?  307 A1AO4 A C24  1 
HETATM 3703 C  C26  . A1AO4 H 5 .   ? 54.310 7.681   -9.283  1.00 14.28 ?  307 A1AO4 A C26  1 
HETATM 3704 C  C28  . A1AO4 H 5 .   ? 56.910 10.937  -10.288 1.00 14.40 ?  307 A1AO4 A C28  1 
HETATM 3705 C  C1   . A1AO4 H 5 .   ? 57.709 8.401   -6.878  1.00 13.30 ?  307 A1AO4 A C1   1 
HETATM 3706 C  C2   . A1AO4 H 5 .   ? 58.799 10.369  -5.776  1.00 11.38 ?  307 A1AO4 A C2   1 
HETATM 3707 C  C3   . A1AO4 H 5 .   ? 58.280 7.102   -7.068  1.00 15.65 ?  307 A1AO4 A C3   1 
HETATM 3708 N  N5   . A1AO4 H 5 .   ? 57.829 10.686  -4.855  1.00 11.79 ?  307 A1AO4 A N5   1 
HETATM 3709 O  O8   . A1AO4 H 5 .   ? 57.383 6.138   -6.787  1.00 14.10 ?  307 A1AO4 A O8   1 
HETATM 3710 C  C9   . A1AO4 H 5 .   ? 59.755 11.428  -4.014  1.00 12.25 ?  307 A1AO4 A C9   1 
HETATM 3711 C  C11  . A1AO4 H 5 .   ? 58.380 11.327  -3.754  1.00 11.01 ?  307 A1AO4 A C11  1 
HETATM 3712 O  O12  . A1AO4 H 5 .   ? 59.358 6.835   -7.573  1.00 17.04 ?  307 A1AO4 A O12  1 
HETATM 3713 C  C14  . A1AO4 H 5 .   ? 54.967 6.304   -7.273  1.00 14.19 ?  307 A1AO4 A C14  1 
HETATM 3714 C  C16  . A1AO4 H 5 .   ? 57.812 11.845  -2.600  1.00 11.88 ?  307 A1AO4 A C16  1 
HETATM 3715 O  O17  . A1AO4 H 5 .   ? 55.534 9.159   -6.157  1.00 11.63 ?  307 A1AO4 A O17  1 
HETATM 3716 C  C18  . A1AO4 H 5 .   ? 60.007 12.549  -1.934  1.00 12.91 ?  307 A1AO4 A C18  1 
HETATM 3717 C  C19  . A1AO4 H 5 .   ? 61.369 10.675  -5.969  1.00 15.90 ?  307 A1AO4 A C19  1 
HETATM 3718 F  F22  . A1AO4 H 5 .   ? 60.809 13.160  -1.039  1.00 14.17 ?  307 A1AO4 A F22  1 
HETATM 3719 C  C23  . A1AO4 H 5 .   ? 57.427 10.103  -9.312  1.00 13.71 ?  307 A1AO4 A C23  1 
HETATM 3720 C  C25  . A1AO4 H 5 .   ? 56.167 6.179   -9.498  1.00 15.12 ?  307 A1AO4 A C25  1 
HETATM 3721 C  C27  . A1AO4 H 5 .   ? 57.185 12.832  -8.850  1.00 13.64 ?  307 A1AO4 A C27  1 
HETATM 3722 C  C29  . A1AO4 H 5 .   ? 54.469 8.063   -10.610 1.00 14.96 ?  307 A1AO4 A C29  1 
HETATM 3723 C  C30  . A1AO4 H 5 .   ? 56.340 6.573   -10.816 1.00 15.88 ?  307 A1AO4 A C30  1 
HETATM 3724 C  C31  . A1AO4 H 5 .   ? 55.485 7.512   -11.368 1.00 15.64 ?  307 A1AO4 A C31  1 
HETATM 3725 C  C32  . A1AO4 H 5 .   ? 56.779 12.295  -10.058 1.00 12.44 ?  307 A1AO4 A C32  1 
HETATM 3726 O  O    . HOH   I 6 .   ? 30.914 1.307   -2.200  0.50 27.14 ?  401 HOH   A O    1 
HETATM 3727 O  O    A HOH   I 6 .   ? 63.334 14.502  1.591   0.50 18.80 ?  402 HOH   A O    1 
HETATM 3728 O  O    B HOH   I 6 .   ? 62.914 12.995  0.812   0.50 12.34 ?  402 HOH   A O    1 
HETATM 3729 O  O    . HOH   I 6 .   ? 36.695 22.982  -0.445  1.00 30.75 ?  403 HOH   A O    1 
HETATM 3730 O  O    . HOH   I 6 .   ? 44.519 -4.974  9.959   1.00 16.06 ?  404 HOH   A O    1 
HETATM 3731 O  O    . HOH   I 6 .   ? 66.392 7.730   9.401   1.00 41.68 ?  405 HOH   A O    1 
HETATM 3732 O  O    A HOH   I 6 .   ? 59.354 14.902  2.830   0.25 12.87 ?  406 HOH   A O    1 
HETATM 3733 O  O    B HOH   I 6 .   ? 61.496 16.170  3.608   0.25 10.44 ?  406 HOH   A O    1 
HETATM 3734 O  O    C HOH   I 6 .   ? 60.134 15.861  3.616   0.50 9.25  ?  406 HOH   A O    1 
HETATM 3735 O  O    . HOH   I 6 .   ? 51.274 17.256  -4.398  1.00 19.39 ?  407 HOH   A O    1 
HETATM 3736 O  O    . HOH   I 6 .   ? 49.216 -3.050  -1.370  1.00 16.96 ?  408 HOH   A O    1 
HETATM 3737 O  O    . HOH   I 6 .   ? 48.653 -5.097  -8.021  1.00 24.42 ?  409 HOH   A O    1 
HETATM 3738 O  O    . HOH   I 6 .   ? 43.909 -0.208  -8.687  1.00 25.67 ?  410 HOH   A O    1 
HETATM 3739 O  O    . HOH   I 6 .   ? 63.833 8.564   -8.329  1.00 35.70 ?  411 HOH   A O    1 
HETATM 3740 O  O    . HOH   I 6 .   ? 30.426 2.995   0.266   1.00 19.08 ?  412 HOH   A O    1 
HETATM 3741 O  O    . HOH   I 6 .   ? 63.574 33.835  0.980   1.00 34.90 ?  413 HOH   A O    1 
HETATM 3742 O  O    . HOH   I 6 .   ? 54.281 33.655  -2.181  1.00 32.23 ?  414 HOH   A O    1 
HETATM 3743 O  O    . HOH   I 6 .   ? 62.292 3.697   -7.364  1.00 36.73 ?  415 HOH   A O    1 
HETATM 3744 O  O    . HOH   I 6 .   ? 50.856 -2.642  14.235  1.00 31.41 ?  416 HOH   A O    1 
HETATM 3745 O  O    . HOH   I 6 .   ? 70.236 27.287  -5.412  1.00 19.85 ?  417 HOH   A O    1 
HETATM 3746 O  O    . HOH   I 6 .   ? 44.539 -2.239  7.982   1.00 9.45  ?  418 HOH   A O    1 
HETATM 3747 O  O    . HOH   I 6 .   ? 64.220 4.113   -3.577  1.00 23.34 ?  419 HOH   A O    1 
HETATM 3748 O  O    . HOH   I 6 .   ? 55.348 28.816  10.236  1.00 31.08 ?  420 HOH   A O    1 
HETATM 3749 O  O    . HOH   I 6 .   ? 59.624 4.312   -8.240  1.00 32.42 ?  421 HOH   A O    1 
HETATM 3750 O  O    . HOH   I 6 .   ? 70.462 8.730   0.892   1.00 36.96 ?  422 HOH   A O    1 
HETATM 3751 O  O    . HOH   I 6 .   ? 48.049 30.801  -1.149  1.00 20.47 ?  423 HOH   A O    1 
HETATM 3752 O  O    . HOH   I 6 .   ? 44.677 -1.720  -3.408  1.00 34.87 ?  424 HOH   A O    1 
HETATM 3753 O  O    . HOH   I 6 .   ? 29.286 14.741  -5.667  1.00 26.60 ?  425 HOH   A O    1 
HETATM 3754 O  O    . HOH   I 6 .   ? 38.949 19.186  9.114   1.00 36.65 ?  426 HOH   A O    1 
HETATM 3755 O  O    . HOH   I 6 .   ? 44.815 14.563  12.189  1.00 19.97 ?  427 HOH   A O    1 
HETATM 3756 O  O    . HOH   I 6 .   ? 69.691 27.840  -0.472  1.00 34.91 ?  428 HOH   A O    1 
HETATM 3757 O  O    . HOH   I 6 .   ? 30.557 15.568  -2.486  1.00 28.78 ?  429 HOH   A O    1 
HETATM 3758 O  O    . HOH   I 6 .   ? 58.310 22.142  -9.009  1.00 10.74 ?  430 HOH   A O    1 
HETATM 3759 O  O    A HOH   I 6 .   ? 58.973 30.806  -9.922  0.50 12.16 ?  431 HOH   A O    1 
HETATM 3760 O  O    B HOH   I 6 .   ? 58.739 31.635  -8.782  0.50 15.81 ?  431 HOH   A O    1 
HETATM 3761 O  O    . HOH   I 6 .   ? 38.513 2.099   -9.068  1.00 12.36 ?  432 HOH   A O    1 
HETATM 3762 O  O    . HOH   I 6 .   ? 55.001 19.841  -7.211  1.00 9.47  ?  433 HOH   A O    1 
HETATM 3763 O  O    . HOH   I 6 .   ? 39.728 7.324   14.507  1.00 16.83 ?  434 HOH   A O    1 
HETATM 3764 O  O    . HOH   I 6 .   ? 38.799 24.874  -1.153  1.00 29.63 ?  435 HOH   A O    1 
HETATM 3765 O  O    . HOH   I 6 .   ? 29.007 0.304   -6.377  1.00 31.90 ?  436 HOH   A O    1 
HETATM 3766 O  O    . HOH   I 6 .   ? 73.284 10.563  -2.556  1.00 33.92 ?  437 HOH   A O    1 
HETATM 3767 O  O    . HOH   I 6 .   ? 41.273 5.996   6.445   1.00 8.68  ?  438 HOH   A O    1 
HETATM 3768 O  O    . HOH   I 6 .   ? 63.194 1.012   7.690   1.00 36.26 ?  439 HOH   A O    1 
HETATM 3769 O  O    . HOH   I 6 .   ? 69.758 21.462  -8.923  1.00 25.75 ?  440 HOH   A O    1 
HETATM 3770 O  O    . HOH   I 6 .   ? 51.763 24.594  -16.166 1.00 33.46 ?  441 HOH   A O    1 
HETATM 3771 O  O    . HOH   I 6 .   ? 53.015 -6.503  8.398   1.00 21.09 ?  442 HOH   A O    1 
HETATM 3772 O  O    . HOH   I 6 .   ? 33.243 16.900  5.446   1.00 29.68 ?  443 HOH   A O    1 
HETATM 3773 O  O    . HOH   I 6 .   ? 48.771 -5.147  -5.462  1.00 24.27 ?  444 HOH   A O    1 
HETATM 3774 O  O    . HOH   I 6 .   ? 35.443 1.907   7.933   1.00 9.28  ?  445 HOH   A O    1 
HETATM 3775 O  O    . HOH   I 6 .   ? 34.358 -9.755  9.198   1.00 11.82 ?  446 HOH   A O    1 
HETATM 3776 O  O    . HOH   I 6 .   ? 45.768 27.849  4.400   1.00 29.00 ?  447 HOH   A O    1 
HETATM 3777 O  O    . HOH   I 6 .   ? 38.517 29.425  -2.007  1.00 38.04 ?  448 HOH   A O    1 
HETATM 3778 O  O    . HOH   I 6 .   ? 54.707 -7.913  4.703   1.00 32.90 ?  449 HOH   A O    1 
HETATM 3779 O  O    . HOH   I 6 .   ? 54.230 8.171   -3.997  1.00 11.71 ?  450 HOH   A O    1 
HETATM 3780 O  O    . HOH   I 6 .   ? 32.981 16.324  -14.719 1.00 34.12 ?  451 HOH   A O    1 
HETATM 3781 O  O    . HOH   I 6 .   ? 61.859 21.594  -15.931 1.00 40.56 ?  452 HOH   A O    1 
HETATM 3782 O  O    . HOH   I 6 .   ? 28.450 7.312   -8.962  1.00 28.83 ?  453 HOH   A O    1 
HETATM 3783 O  O    . HOH   I 6 .   ? 66.477 18.166  -0.746  1.00 10.80 ?  454 HOH   A O    1 
HETATM 3784 O  O    . HOH   I 6 .   ? 32.108 1.631   1.914   1.00 14.32 ?  455 HOH   A O    1 
HETATM 3785 O  O    . HOH   I 6 .   ? 33.807 23.402  -1.448  1.00 36.11 ?  456 HOH   A O    1 
HETATM 3786 O  O    . HOH   I 6 .   ? 61.299 16.129  13.613  1.00 34.75 ?  457 HOH   A O    1 
HETATM 3787 O  O    . HOH   I 6 .   ? 55.146 24.799  -15.039 1.00 24.46 ?  458 HOH   A O    1 
HETATM 3788 O  O    . HOH   I 6 .   ? 66.444 10.942  4.461   1.00 18.59 ?  459 HOH   A O    1 
HETATM 3789 O  O    . HOH   I 6 .   ? 42.243 -0.422  -10.848 1.00 33.76 ?  460 HOH   A O    1 
HETATM 3790 O  O    . HOH   I 6 .   ? 54.786 0.432   -12.789 1.00 24.06 ?  461 HOH   A O    1 
HETATM 3791 O  O    . HOH   I 6 .   ? 53.703 14.804  -20.380 1.00 43.53 ?  462 HOH   A O    1 
HETATM 3792 O  O    . HOH   I 6 .   ? 65.590 6.132   -4.836  1.00 28.51 ?  463 HOH   A O    1 
HETATM 3793 O  O    . HOH   I 6 .   ? 41.613 19.169  4.479   1.00 19.94 ?  464 HOH   A O    1 
HETATM 3794 O  O    . HOH   I 6 .   ? 68.703 23.516  8.908   1.00 16.46 ?  465 HOH   A O    1 
HETATM 3795 O  O    . HOH   I 6 .   ? 43.903 0.694   -2.558  1.00 11.61 ?  466 HOH   A O    1 
HETATM 3796 O  O    . HOH   I 6 .   ? 47.654 -3.051  -15.472 1.00 27.98 ?  467 HOH   A O    1 
HETATM 3797 O  O    . HOH   I 6 .   ? 38.740 14.343  -15.746 1.00 38.99 ?  468 HOH   A O    1 
HETATM 3798 O  O    . HOH   I 6 .   ? 40.503 18.186  -13.790 1.00 22.27 ?  469 HOH   A O    1 
HETATM 3799 O  O    . HOH   I 6 .   ? 63.842 16.566  8.150   1.00 12.77 ?  470 HOH   A O    1 
HETATM 3800 O  O    . HOH   I 6 .   ? 36.722 21.568  2.067   1.00 37.97 ?  471 HOH   A O    1 
HETATM 3801 O  O    . HOH   I 6 .   ? 52.637 21.041  -6.742  1.00 10.56 ?  472 HOH   A O    1 
HETATM 3802 O  O    . HOH   I 6 .   ? 35.142 15.235  9.536   1.00 28.52 ?  473 HOH   A O    1 
HETATM 3803 O  O    . HOH   I 6 .   ? 30.202 11.403  -11.375 1.00 31.17 ?  474 HOH   A O    1 
HETATM 3804 O  O    . HOH   I 6 .   ? 60.171 -0.617  4.951   1.00 22.03 ?  475 HOH   A O    1 
HETATM 3805 O  O    . HOH   I 6 .   ? 48.458 25.765  2.469   1.00 14.67 ?  476 HOH   A O    1 
HETATM 3806 O  O    . HOH   I 6 .   ? 41.757 4.281   9.715   1.00 9.52  ?  477 HOH   A O    1 
HETATM 3807 O  O    . HOH   I 6 .   ? 55.253 -1.943  9.561   1.00 30.82 ?  478 HOH   A O    1 
HETATM 3808 O  O    . HOH   I 6 .   ? 60.226 10.160  14.326  1.00 26.17 ?  479 HOH   A O    1 
HETATM 3809 O  O    . HOH   I 6 .   ? 42.147 -3.099  -3.885  1.00 34.76 ?  480 HOH   A O    1 
HETATM 3810 O  O    . HOH   I 6 .   ? 49.495 -1.236  -13.122 1.00 18.75 ?  481 HOH   A O    1 
HETATM 3811 O  O    . HOH   I 6 .   ? 54.324 31.788  -8.828  1.00 37.85 ?  482 HOH   A O    1 
HETATM 3812 O  O    . HOH   I 6 .   ? 57.825 27.525  0.431   1.00 13.10 ?  483 HOH   A O    1 
HETATM 3813 O  O    . HOH   I 6 .   ? 30.462 13.773  -0.419  1.00 39.91 ?  484 HOH   A O    1 
HETATM 3814 O  O    . HOH   I 6 .   ? 55.634 -1.413  -8.927  1.00 30.46 ?  485 HOH   A O    1 
HETATM 3815 O  O    . HOH   I 6 .   ? 61.467 32.681  8.332   1.00 45.66 ?  486 HOH   A O    1 
HETATM 3816 O  O    . HOH   I 6 .   ? 31.763 0.514   -6.503  1.00 25.32 ?  487 HOH   A O    1 
HETATM 3817 O  O    . HOH   I 6 .   ? 48.200 -3.192  -11.501 1.00 22.66 ?  488 HOH   A O    1 
HETATM 3818 O  O    . HOH   I 6 .   ? 32.102 24.869  -9.960  1.00 32.01 ?  489 HOH   A O    1 
HETATM 3819 O  O    . HOH   I 6 .   ? 29.930 9.809   -5.948  1.00 19.63 ?  490 HOH   A O    1 
HETATM 3820 O  O    . HOH   I 6 .   ? 57.596 0.265   8.707   1.00 25.85 ?  491 HOH   A O    1 
HETATM 3821 O  O    . HOH   I 6 .   ? 29.187 3.299   9.556   1.00 18.67 ?  492 HOH   A O    1 
HETATM 3822 O  O    . HOH   I 6 .   ? 55.881 4.977   5.460   1.00 9.99  ?  493 HOH   A O    1 
HETATM 3823 O  O    . HOH   I 6 .   ? 63.083 5.122   8.446   1.00 17.91 ?  494 HOH   A O    1 
HETATM 3824 O  O    . HOH   I 6 .   ? 51.106 1.516   -12.314 1.00 19.73 ?  495 HOH   A O    1 
HETATM 3825 O  O    . HOH   I 6 .   ? 51.171 7.501   -11.730 1.00 19.92 ?  496 HOH   A O    1 
HETATM 3826 O  O    . HOH   I 6 .   ? 52.954 12.570  -14.301 1.00 29.56 ?  497 HOH   A O    1 
HETATM 3827 O  O    . HOH   I 6 .   ? 44.513 26.614  -9.619  1.00 24.12 ?  498 HOH   A O    1 
HETATM 3828 O  O    . HOH   I 6 .   ? 69.578 16.824  3.606   1.00 18.58 ?  499 HOH   A O    1 
HETATM 3829 O  O    . HOH   I 6 .   ? 52.543 23.605  -7.669  1.00 12.86 ?  500 HOH   A O    1 
HETATM 3830 O  O    . HOH   I 6 .   ? 33.676 -4.637  12.737  1.00 11.69 ?  501 HOH   A O    1 
HETATM 3831 O  O    . HOH   I 6 .   ? 45.457 -0.713  -17.609 1.00 31.88 ?  502 HOH   A O    1 
HETATM 3832 O  O    . HOH   I 6 .   ? 33.694 -1.602  -1.024  1.00 32.65 ?  503 HOH   A O    1 
HETATM 3833 O  O    . HOH   I 6 .   ? 47.577 25.313  9.964   1.00 23.55 ?  504 HOH   A O    1 
HETATM 3834 O  O    . HOH   I 6 .   ? 49.888 28.196  2.478   1.00 15.94 ?  505 HOH   A O    1 
HETATM 3835 O  O    . HOH   I 6 .   ? 27.209 22.222  -2.856  1.00 31.13 ?  506 HOH   A O    1 
HETATM 3836 O  O    . HOH   I 6 .   ? 46.505 -6.596  1.421   1.00 30.63 ?  507 HOH   A O    1 
HETATM 3837 O  O    . HOH   I 6 .   ? 53.972 12.779  13.685  1.00 21.02 ?  508 HOH   A O    1 
HETATM 3838 O  O    . HOH   I 6 .   ? 49.911 31.188  -3.116  1.00 24.15 ?  509 HOH   A O    1 
HETATM 3839 O  O    . HOH   I 6 .   ? 48.104 19.190  -17.857 1.00 37.13 ?  510 HOH   A O    1 
HETATM 3840 O  O    . HOH   I 6 .   ? 61.008 8.283   -9.294  1.00 40.03 ?  511 HOH   A O    1 
HETATM 3841 O  O    . HOH   I 6 .   ? 27.357 15.546  -2.692  1.00 29.74 ?  512 HOH   A O    1 
HETATM 3842 O  O    . HOH   I 6 .   ? 55.914 0.586   16.094  1.00 38.61 ?  513 HOH   A O    1 
HETATM 3843 O  O    . HOH   I 6 .   ? 44.127 2.472   17.693  1.00 30.04 ?  514 HOH   A O    1 
HETATM 3844 O  O    . HOH   I 6 .   ? 58.837 3.354   12.564  1.00 26.50 ?  515 HOH   A O    1 
HETATM 3845 O  O    . HOH   I 6 .   ? 51.846 32.130  -8.445  1.00 34.69 ?  516 HOH   A O    1 
HETATM 3846 O  O    . HOH   I 6 .   ? 27.758 13.908  1.831   1.00 19.63 ?  517 HOH   A O    1 
HETATM 3847 O  O    . HOH   I 6 .   ? 64.089 15.219  -0.887  1.00 12.96 ?  518 HOH   A O    1 
HETATM 3848 O  O    . HOH   I 6 .   ? 66.958 30.528  6.431   1.00 44.81 ?  519 HOH   A O    1 
HETATM 3849 O  O    . HOH   I 6 .   ? 42.871 12.712  13.316  1.00 30.14 ?  520 HOH   A O    1 
HETATM 3850 O  O    . HOH   I 6 .   ? 31.372 13.987  -11.928 1.00 33.44 ?  521 HOH   A O    1 
HETATM 3851 O  O    . HOH   I 6 .   ? 59.112 5.818   9.314   1.00 14.28 ?  522 HOH   A O    1 
HETATM 3852 O  O    . HOH   I 6 .   ? 69.268 12.323  -5.294  1.00 21.79 ?  523 HOH   A O    1 
HETATM 3853 O  O    . HOH   I 6 .   ? 38.632 12.850  10.063  1.00 21.82 ?  524 HOH   A O    1 
HETATM 3854 O  O    . HOH   I 6 .   ? 49.730 12.422  -14.209 1.00 16.82 ?  525 HOH   A O    1 
HETATM 3855 O  O    . HOH   I 6 .   ? 77.626 17.091  8.105   1.00 46.46 ?  526 HOH   A O    1 
HETATM 3856 O  O    . HOH   I 6 .   ? 33.990 -0.367  8.434   1.00 11.61 ?  527 HOH   A O    1 
HETATM 3857 O  O    . HOH   I 6 .   ? 70.293 17.514  13.405  1.00 18.25 ?  528 HOH   A O    1 
HETATM 3858 O  O    . HOH   I 6 .   ? 45.231 31.112  -5.621  1.00 35.21 ?  529 HOH   A O    1 
HETATM 3859 O  O    . HOH   I 6 .   ? 36.445 9.061   12.135  1.00 24.92 ?  530 HOH   A O    1 
HETATM 3860 O  O    . HOH   I 6 .   ? 53.012 7.932   15.878  1.00 20.81 ?  531 HOH   A O    1 
HETATM 3861 O  O    . HOH   I 6 .   ? 56.175 28.694  3.575   1.00 17.88 ?  532 HOH   A O    1 
HETATM 3862 O  O    . HOH   I 6 .   ? 43.640 26.722  6.421   1.00 58.94 ?  533 HOH   A O    1 
HETATM 3863 O  O    . HOH   I 6 .   ? 49.953 3.514   -1.138  1.00 19.69 ?  534 HOH   A O    1 
HETATM 3864 O  O    . HOH   I 6 .   ? 36.497 25.378  1.339   1.00 38.56 ?  535 HOH   A O    1 
HETATM 3865 O  O    . HOH   I 6 .   ? 44.758 6.314   10.440  1.00 9.36  ?  536 HOH   A O    1 
HETATM 3866 O  O    . HOH   I 6 .   ? 46.256 17.666  -16.317 1.00 23.22 ?  537 HOH   A O    1 
HETATM 3867 O  O    . HOH   I 6 .   ? 36.392 27.331  9.271   1.00 44.62 ?  538 HOH   A O    1 
HETATM 3868 O  O    . HOH   I 6 .   ? 54.762 4.588   17.236  1.00 31.16 ?  539 HOH   A O    1 
HETATM 3869 O  O    . HOH   I 6 .   ? 69.829 14.277  5.826   1.00 24.78 ?  540 HOH   A O    1 
HETATM 3870 O  O    . HOH   I 6 .   ? 57.924 26.499  2.911   1.00 12.45 ?  541 HOH   A O    1 
HETATM 3871 O  O    . HOH   I 6 .   ? 51.040 9.578   2.076   1.00 8.23  ?  542 HOH   A O    1 
HETATM 3872 O  O    . HOH   I 6 .   ? 35.173 3.670   -12.459 1.00 11.68 ?  543 HOH   A O    1 
HETATM 3873 O  O    . HOH   I 6 .   ? 43.658 5.229   7.904   1.00 8.65  ?  544 HOH   A O    1 
HETATM 3874 O  O    . HOH   I 6 .   ? 43.520 -10.059 8.625   1.00 30.29 ?  545 HOH   A O    1 
HETATM 3875 O  O    . HOH   I 6 .   ? 36.301 -4.425  5.197   1.00 17.08 ?  546 HOH   A O    1 
HETATM 3876 O  O    . HOH   I 6 .   ? 43.331 3.917   4.594   1.00 7.92  ?  547 HOH   A O    1 
HETATM 3877 O  O    . HOH   I 6 .   ? 48.858 -4.740  0.833   1.00 29.64 ?  548 HOH   A O    1 
HETATM 3878 O  O    . HOH   I 6 .   ? 53.674 27.796  -13.115 1.00 29.60 ?  549 HOH   A O    1 
HETATM 3879 O  O    . HOH   I 6 .   ? 31.597 20.432  -1.415  1.00 33.44 ?  550 HOH   A O    1 
HETATM 3880 O  O    . HOH   I 6 .   ? 52.534 3.839   -0.162  1.00 17.33 ?  551 HOH   A O    1 
HETATM 3881 O  O    . HOH   I 6 .   ? 56.081 11.035  14.664  1.00 19.90 ?  552 HOH   A O    1 
HETATM 3882 O  O    . HOH   I 6 .   ? 68.575 22.889  2.028   1.00 12.59 ?  553 HOH   A O    1 
HETATM 3883 O  O    . HOH   I 6 .   ? 58.456 32.855  8.558   1.00 36.36 ?  554 HOH   A O    1 
HETATM 3884 O  O    . HOH   I 6 .   ? 62.164 5.566   12.039  1.00 30.66 ?  555 HOH   A O    1 
HETATM 3885 O  O    . HOH   I 6 .   ? 41.956 14.985  -15.302 1.00 27.18 ?  556 HOH   A O    1 
HETATM 3886 O  O    . HOH   I 6 .   ? 62.463 21.302  -9.276  1.00 12.67 ?  557 HOH   A O    1 
HETATM 3887 O  O    . HOH   I 6 .   ? 51.143 6.779   1.517   1.00 8.35  ?  558 HOH   A O    1 
HETATM 3888 O  O    . HOH   I 6 .   ? 43.803 31.044  -2.698  1.00 40.83 ?  559 HOH   A O    1 
HETATM 3889 O  O    . HOH   I 6 .   ? 42.357 20.592  6.754   1.00 20.35 ?  560 HOH   A O    1 
HETATM 3890 O  O    . HOH   I 6 .   ? 44.704 20.511  -19.467 1.00 36.64 ?  561 HOH   A O    1 
HETATM 3891 O  O    . HOH   I 6 .   ? 45.959 3.767   10.545  1.00 9.12  ?  562 HOH   A O    1 
HETATM 3892 O  O    . HOH   I 6 .   ? 42.409 10.573  16.042  1.00 29.93 ?  563 HOH   A O    1 
HETATM 3893 O  O    . HOH   I 6 .   ? 36.007 28.372  -6.609  1.00 30.90 ?  564 HOH   A O    1 
HETATM 3894 O  O    . HOH   I 6 .   ? 64.234 9.883   13.038  1.00 29.62 ?  565 HOH   A O    1 
HETATM 3895 O  O    . HOH   I 6 .   ? 50.614 9.746   -13.995 1.00 35.82 ?  566 HOH   A O    1 
HETATM 3896 O  O    . HOH   I 6 .   ? 59.765 31.226  -5.692  1.00 10.25 ?  567 HOH   A O    1 
HETATM 3897 O  O    . HOH   I 6 .   ? 64.271 27.725  7.179   1.00 16.98 ?  568 HOH   A O    1 
HETATM 3898 O  O    . HOH   I 6 .   ? 26.854 7.513   -2.729  1.00 28.28 ?  569 HOH   A O    1 
HETATM 3899 O  O    . HOH   I 6 .   ? 68.861 24.863  -1.561  1.00 18.92 ?  570 HOH   A O    1 
HETATM 3900 O  O    . HOH   I 6 .   ? 35.751 -2.865  1.115   1.00 19.46 ?  571 HOH   A O    1 
HETATM 3901 O  O    . HOH   I 6 .   ? 41.024 6.460   -16.954 1.00 28.07 ?  572 HOH   A O    1 
HETATM 3902 O  O    . HOH   I 6 .   ? 30.758 0.497   4.154   1.00 15.35 ?  573 HOH   A O    1 
HETATM 3903 O  O    . HOH   I 6 .   ? 42.968 5.845   16.780  1.00 20.62 ?  574 HOH   A O    1 
HETATM 3904 O  O    . HOH   I 6 .   ? 43.805 24.435  4.546   1.00 31.17 ?  575 HOH   A O    1 
HETATM 3905 O  O    . HOH   I 6 .   ? 57.448 -3.626  4.389   1.00 28.98 ?  576 HOH   A O    1 
HETATM 3906 O  O    . HOH   I 6 .   ? 44.548 -9.904  4.611   1.00 38.24 ?  577 HOH   A O    1 
HETATM 3907 O  O    . HOH   I 6 .   ? 64.026 15.504  14.997  1.00 41.36 ?  578 HOH   A O    1 
HETATM 3908 O  O    . HOH   I 6 .   ? 44.381 9.911   -15.392 1.00 24.13 ?  579 HOH   A O    1 
HETATM 3909 O  O    . HOH   I 6 .   ? 43.144 17.041  12.197  1.00 28.28 ?  580 HOH   A O    1 
HETATM 3910 O  O    . HOH   I 6 .   ? 42.436 3.097   -22.198 1.00 46.15 ?  581 HOH   A O    1 
HETATM 3911 O  O    . HOH   I 6 .   ? 58.710 3.435   -5.455  1.00 27.43 ?  582 HOH   A O    1 
HETATM 3912 O  O    . HOH   I 6 .   ? 67.478 5.952   3.315   1.00 25.81 ?  583 HOH   A O    1 
HETATM 3913 O  O    . HOH   I 6 .   ? 33.407 4.212   -4.402  1.00 14.96 ?  584 HOH   A O    1 
HETATM 3914 O  O    . HOH   I 6 .   ? 50.611 -4.425  12.211  1.00 20.45 ?  585 HOH   A O    1 
HETATM 3915 O  O    . HOH   I 6 .   ? 41.421 20.501  9.530   1.00 28.64 ?  586 HOH   A O    1 
HETATM 3916 O  O    . HOH   I 6 .   ? 57.066 3.327   15.759  1.00 33.11 ?  587 HOH   A O    1 
HETATM 3917 O  O    . HOH   I 6 .   ? 62.338 18.311  9.634   1.00 12.68 ?  588 HOH   A O    1 
HETATM 3918 O  O    . HOH   I 6 .   ? 34.948 22.852  3.945   1.00 51.01 ?  589 HOH   A O    1 
HETATM 3919 O  O    . HOH   I 6 .   ? 33.577 9.485   10.651  1.00 20.22 ?  590 HOH   A O    1 
HETATM 3920 O  O    . HOH   I 6 .   ? 34.466 19.960  -13.347 1.00 33.81 ?  591 HOH   A O    1 
HETATM 3921 O  O    . HOH   I 6 .   ? 44.182 1.554   -21.338 1.00 41.49 ?  592 HOH   A O    1 
HETATM 3922 O  O    . HOH   I 6 .   ? 56.626 -2.856  6.978   1.00 25.51 ?  593 HOH   A O    1 
HETATM 3923 O  O    A HOH   I 6 .   ? 50.188 8.376   16.336  0.25 10.26 ?  594 HOH   A O    1 
HETATM 3924 O  O    B HOH   I 6 .   ? 48.588 9.828   14.704  0.25 6.18  ?  594 HOH   A O    1 
HETATM 3925 O  O    C HOH   I 6 .   ? 49.089 8.655   15.219  0.50 12.39 ?  594 HOH   A O    1 
HETATM 3926 O  O    . HOH   I 6 .   ? 51.553 20.453  13.546  1.00 22.30 ?  595 HOH   A O    1 
HETATM 3927 O  O    . HOH   I 6 .   ? 33.403 13.165  8.149   1.00 17.75 ?  596 HOH   A O    1 
HETATM 3928 O  O    . HOH   I 6 .   ? 66.209 4.148   6.339   1.00 39.11 ?  597 HOH   A O    1 
HETATM 3929 O  O    . HOH   I 6 .   ? 46.368 3.098   -20.630 1.00 41.80 ?  598 HOH   A O    1 
HETATM 3930 O  O    . HOH   I 6 .   ? 65.844 20.892  -10.507 1.00 18.44 ?  599 HOH   A O    1 
HETATM 3931 O  O    . HOH   I 6 .   ? 53.075 18.521  -19.005 1.00 33.41 ?  600 HOH   A O    1 
HETATM 3932 O  O    . HOH   I 6 .   ? 44.682 24.983  13.682  1.00 39.90 ?  601 HOH   A O    1 
HETATM 3933 O  O    . HOH   I 6 .   ? 55.265 -0.257  -6.818  1.00 30.38 ?  602 HOH   A O    1 
HETATM 3934 O  O    . HOH   I 6 .   ? 67.031 13.445  -7.363  1.00 22.94 ?  603 HOH   A O    1 
HETATM 3935 O  O    . HOH   I 6 .   ? 45.921 -2.889  10.947  1.00 11.88 ?  604 HOH   A O    1 
HETATM 3936 O  O    . HOH   I 6 .   ? 44.069 26.346  2.678   1.00 25.15 ?  605 HOH   A O    1 
HETATM 3937 O  O    . HOH   I 6 .   ? 28.186 2.105   -8.226  1.00 25.52 ?  606 HOH   A O    1 
HETATM 3938 O  O    . HOH   I 6 .   ? 63.770 12.726  -7.966  1.00 38.96 ?  607 HOH   A O    1 
HETATM 3939 O  O    . HOH   I 6 .   ? 64.290 33.964  4.854   1.00 33.81 ?  608 HOH   A O    1 
HETATM 3940 O  O    . HOH   I 6 .   ? 55.282 24.303  15.512  1.00 26.61 ?  609 HOH   A O    1 
HETATM 3941 O  O    . HOH   I 6 .   ? 43.475 -0.680  -15.527 1.00 21.27 ?  610 HOH   A O    1 
HETATM 3942 O  O    . HOH   I 6 .   ? 43.139 27.635  -7.323  1.00 22.37 ?  611 HOH   A O    1 
HETATM 3943 O  O    . HOH   I 6 .   ? 33.140 1.372   -4.486  1.00 19.21 ?  612 HOH   A O    1 
HETATM 3944 O  O    . HOH   I 6 .   ? 69.079 32.062  4.224   1.00 29.38 ?  613 HOH   A O    1 
HETATM 3945 O  O    . HOH   I 6 .   ? 40.359 0.966   -22.396 1.00 22.90 ?  614 HOH   A O    1 
HETATM 3946 O  O    . HOH   I 6 .   ? 47.490 35.017  4.069   1.00 45.56 ?  615 HOH   A O    1 
HETATM 3947 O  O    . HOH   I 6 .   ? 35.723 2.014   12.564  1.00 14.52 ?  616 HOH   A O    1 
HETATM 3948 O  O    . HOH   I 6 .   ? 27.444 8.365   -5.273  1.00 35.63 ?  617 HOH   A O    1 
HETATM 3949 O  O    . HOH   I 6 .   ? 70.595 20.426  14.181  1.00 21.65 ?  618 HOH   A O    1 
HETATM 3950 O  O    . HOH   I 6 .   ? 68.947 22.321  12.735  1.00 15.22 ?  619 HOH   A O    1 
HETATM 3951 O  O    . HOH   I 6 .   ? 49.231 18.627  12.899  1.00 22.62 ?  620 HOH   A O    1 
HETATM 3952 O  O    . HOH   I 6 .   ? 49.326 29.602  -10.628 1.00 40.29 ?  621 HOH   A O    1 
HETATM 3953 O  O    . HOH   I 6 .   ? 57.019 0.838   12.670  1.00 28.54 ?  622 HOH   A O    1 
HETATM 3954 O  O    . HOH   I 6 .   ? 56.568 33.761  3.398   1.00 34.34 ?  623 HOH   A O    1 
HETATM 3955 O  O    . HOH   I 6 .   ? 68.017 26.991  -12.951 1.00 17.68 ?  624 HOH   A O    1 
HETATM 3956 O  O    . HOH   I 6 .   ? 48.256 3.599   -18.520 1.00 24.20 ?  625 HOH   A O    1 
HETATM 3957 O  O    . HOH   I 6 .   ? 73.579 16.265  -5.303  1.00 41.97 ?  626 HOH   A O    1 
HETATM 3958 O  O    . HOH   I 6 .   ? 38.746 -5.883  -4.199  1.00 32.29 ?  627 HOH   A O    1 
HETATM 3959 O  O    . HOH   I 6 .   ? 64.211 20.893  13.133  1.00 21.52 ?  628 HOH   A O    1 
HETATM 3960 O  O    . HOH   I 6 .   ? 28.006 19.494  -5.737  1.00 49.46 ?  629 HOH   A O    1 
HETATM 3961 O  O    . HOH   I 6 .   ? 69.197 14.792  -6.630  1.00 35.85 ?  630 HOH   A O    1 
HETATM 3962 O  O    A HOH   I 6 .   ? 33.498 2.349   14.245  0.50 14.86 ?  631 HOH   A O    1 
HETATM 3963 O  O    B HOH   I 6 .   ? 32.652 3.029   13.779  0.50 19.14 ?  631 HOH   A O    1 
HETATM 3964 O  O    . HOH   I 6 .   ? 67.852 2.316   3.062   1.00 27.05 ?  632 HOH   A O    1 
HETATM 3965 O  O    . HOH   I 6 .   ? 38.043 2.394   -11.797 1.00 12.63 ?  633 HOH   A O    1 
HETATM 3966 O  O    . HOH   I 6 .   ? 31.485 17.882  -3.125  1.00 30.87 ?  634 HOH   A O    1 
HETATM 3967 O  O    . HOH   I 6 .   ? 37.419 -4.881  2.544   1.00 27.01 ?  635 HOH   A O    1 
HETATM 3968 O  O    . HOH   I 6 .   ? 66.817 12.359  11.973  1.00 24.99 ?  636 HOH   A O    1 
HETATM 3969 O  O    . HOH   I 6 .   ? 64.114 15.887  -7.897  1.00 42.08 ?  637 HOH   A O    1 
HETATM 3970 O  O    . HOH   I 6 .   ? 26.775 15.838  -9.114  1.00 49.39 ?  638 HOH   A O    1 
HETATM 3971 O  O    . HOH   I 6 .   ? 28.271 14.687  -11.470 1.00 42.29 ?  639 HOH   A O    1 
HETATM 3972 O  O    . HOH   I 6 .   ? 57.511 29.637  -11.947 1.00 27.52 ?  640 HOH   A O    1 
HETATM 3973 O  O    . HOH   I 6 .   ? 43.015 7.993   -17.452 1.00 42.55 ?  641 HOH   A O    1 
HETATM 3974 O  O    . HOH   I 6 .   ? 29.875 18.913  0.874   1.00 46.02 ?  642 HOH   A O    1 
HETATM 3975 O  O    . HOH   I 6 .   ? 64.354 23.393  14.103  1.00 32.89 ?  643 HOH   A O    1 
HETATM 3976 O  O    . HOH   I 6 .   ? 71.208 13.474  8.997   1.00 28.63 ?  644 HOH   A O    1 
HETATM 3977 O  O    . HOH   I 6 .   ? 43.436 17.262  -16.773 1.00 40.95 ?  645 HOH   A O    1 
HETATM 3978 O  O    . HOH   I 6 .   ? 39.568 21.288  -14.071 1.00 27.84 ?  646 HOH   A O    1 
HETATM 3979 O  O    . HOH   I 6 .   ? 55.443 2.736   -5.873  1.00 12.38 ?  647 HOH   A O    1 
HETATM 3980 O  O    . HOH   I 6 .   ? 52.953 6.904   -13.911 1.00 34.09 ?  648 HOH   A O    1 
HETATM 3981 O  O    . HOH   I 6 .   ? 46.120 -5.500  -8.408  1.00 28.46 ?  649 HOH   A O    1 
HETATM 3982 O  O    . HOH   I 6 .   ? 56.529 33.543  -3.678  1.00 31.26 ?  650 HOH   A O    1 
HETATM 3983 O  O    . HOH   I 6 .   ? 66.352 24.737  10.034  1.00 23.06 ?  651 HOH   A O    1 
HETATM 3984 O  O    . HOH   I 6 .   ? 59.354 0.220   -7.969  1.00 32.87 ?  652 HOH   A O    1 
HETATM 3985 O  O    . HOH   I 6 .   ? 39.412 6.097   -19.176 1.00 32.11 ?  653 HOH   A O    1 
HETATM 3986 O  O    . HOH   I 6 .   ? 51.584 29.454  -11.877 1.00 39.73 ?  654 HOH   A O    1 
HETATM 3987 O  O    . HOH   I 6 .   ? 66.336 24.466  12.832  1.00 24.97 ?  655 HOH   A O    1 
HETATM 3988 O  O    . HOH   I 6 .   ? 36.198 8.188   -16.645 1.00 26.43 ?  656 HOH   A O    1 
HETATM 3989 O  O    . HOH   I 6 .   ? 47.157 27.658  -10.562 1.00 41.70 ?  657 HOH   A O    1 
HETATM 3990 O  O    . HOH   I 6 .   ? 48.462 9.598   -16.638 1.00 46.53 ?  658 HOH   A O    1 
HETATM 3991 O  O    . HOH   I 6 .   ? 47.519 -4.043  12.826  1.00 25.18 ?  659 HOH   A O    1 
HETATM 3992 O  O    . HOH   I 6 .   ? 48.302 6.239   -17.232 1.00 34.97 ?  660 HOH   A O    1 
HETATM 3993 O  O    . HOH   I 6 .   ? 29.020 24.200  -10.749 1.00 49.21 ?  661 HOH   A O    1 
HETATM 3994 O  O    . HOH   I 6 .   ? 43.279 8.259   17.978  1.00 30.61 ?  662 HOH   A O    1 
HETATM 3995 O  O    . HOH   I 6 .   ? 46.832 12.252  14.827  1.00 35.98 ?  663 HOH   A O    1 
HETATM 3996 O  O    . HOH   I 6 .   ? 38.963 0.109   -13.084 1.00 13.79 ?  664 HOH   A O    1 
HETATM 3997 O  O    . HOH   I 6 .   ? 59.738 1.506   9.967   1.00 44.20 ?  665 HOH   A O    1 
HETATM 3998 O  O    . HOH   I 6 .   ? 41.685 9.834   -16.204 1.00 29.11 ?  666 HOH   A O    1 
HETATM 3999 O  O    . HOH   I 6 .   ? 41.622 -0.463  -17.490 1.00 16.43 ?  667 HOH   A O    1 
HETATM 4000 O  O    . HOH   I 6 .   ? 33.559 9.880   -15.445 1.00 33.73 ?  668 HOH   A O    1 
HETATM 4001 O  O    . HOH   I 6 .   ? 52.573 -9.174  8.066   1.00 44.55 ?  669 HOH   A O    1 
HETATM 4002 O  O    . HOH   I 6 .   ? 61.616 33.860  2.699   1.00 44.04 ?  670 HOH   A O    1 
HETATM 4003 O  O    . HOH   I 6 .   ? 35.858 -1.344  -9.740  1.00 21.40 ?  671 HOH   A O    1 
HETATM 4004 O  O    . HOH   I 6 .   ? 42.981 26.849  -12.590 1.00 44.57 ?  672 HOH   A O    1 
HETATM 4005 O  O    . HOH   I 6 .   ? 36.798 30.145  -4.437  1.00 40.46 ?  673 HOH   A O    1 
HETATM 4006 O  O    . HOH   I 6 .   ? 45.528 26.995  10.644  1.00 50.90 ?  674 HOH   A O    1 
HETATM 4007 O  O    . HOH   I 6 .   ? 40.049 -3.791  -5.645  1.00 25.04 ?  675 HOH   A O    1 
HETATM 4008 O  O    . HOH   I 6 .   ? 66.607 13.727  14.708  1.00 50.82 ?  676 HOH   A O    1 
HETATM 4009 O  O    . HOH   I 6 .   ? 54.542 -4.635  10.269  1.00 41.12 ?  677 HOH   A O    1 
HETATM 4010 O  O    . HOH   I 6 .   ? 57.056 2.650   -8.554  1.00 32.04 ?  678 HOH   A O    1 
HETATM 4011 O  O    . HOH   I 6 .   ? 61.058 4.002   9.926   1.00 23.98 ?  679 HOH   A O    1 
HETATM 4012 O  O    . HOH   I 6 .   ? 40.238 5.712   16.751  1.00 22.49 ?  680 HOH   A O    1 
HETATM 4013 O  O    . HOH   I 6 .   ? 38.037 -0.558  -8.350  1.00 21.62 ?  681 HOH   A O    1 
HETATM 4014 O  O    . HOH   I 6 .   ? 65.276 5.289   9.921   1.00 33.15 ?  682 HOH   A O    1 
HETATM 4015 O  O    . HOH   I 6 .   ? 69.040 12.075  4.547   1.00 22.99 ?  683 HOH   A O    1 
HETATM 4016 O  O    . HOH   I 6 .   ? 60.241 34.734  -0.249  1.00 31.75 ?  684 HOH   A O    1 
HETATM 4017 O  O    . HOH   I 6 .   ? 67.453 6.779   6.949   1.00 47.53 ?  685 HOH   A O    1 
HETATM 4018 O  O    . HOH   I 6 .   ? 67.256 27.462  9.550   1.00 41.79 ?  686 HOH   A O    1 
HETATM 4019 O  O    . HOH   I 6 .   ? 57.747 25.290  16.352  1.00 46.40 ?  687 HOH   A O    1 
HETATM 4020 O  O    . HOH   I 6 .   ? 61.243 13.677  -9.300  1.00 48.48 ?  688 HOH   A O    1 
HETATM 4021 O  O    . HOH   I 6 .   ? 62.250 18.031  -11.261 1.00 40.68 ?  689 HOH   A O    1 
HETATM 4022 O  O    . HOH   I 6 .   ? 58.851 -1.430  7.115   1.00 30.00 ?  690 HOH   A O    1 
HETATM 4023 O  O    . HOH   I 6 .   ? 63.057 18.696  12.384  1.00 28.65 ?  691 HOH   A O    1 
HETATM 4024 O  O    . HOH   I 6 .   ? 39.107 16.822  -15.690 1.00 33.87 ?  692 HOH   A O    1 
HETATM 4025 O  O    . HOH   I 6 .   ? 35.101 -4.658  -1.054  1.00 37.33 ?  693 HOH   A O    1 
HETATM 4026 O  O    . HOH   I 6 .   ? 66.794 27.148  6.244   1.00 33.13 ?  694 HOH   A O    1 
HETATM 4027 O  O    . HOH   I 6 .   ? 61.903 -2.712  5.418   1.00 35.65 ?  695 HOH   A O    1 
HETATM 4028 O  O    . HOH   I 6 .   ? 47.943 -2.495  14.908  1.00 32.03 ?  696 HOH   A O    1 
HETATM 4029 O  O    . HOH   I 6 .   ? 36.850 11.571  11.695  1.00 22.46 ?  697 HOH   A O    1 
HETATM 4030 O  O    . HOH   I 6 .   ? 64.265 18.940  -9.242  1.00 23.52 ?  698 HOH   A O    1 
HETATM 4031 O  O    . HOH   I 6 .   ? 70.282 30.273  0.476   1.00 23.55 ?  699 HOH   A O    1 
HETATM 4032 O  O    . HOH   I 6 .   ? 39.736 2.760   16.013  1.00 36.25 ?  700 HOH   A O    1 
HETATM 4033 O  O    . HOH   I 6 .   ? 66.591 16.304  -7.185  1.00 39.11 ?  701 HOH   A O    1 
HETATM 4034 O  O    . HOH   I 6 .   ? 39.727 9.884   15.551  1.00 28.08 ?  702 HOH   A O    1 
HETATM 4035 O  O    . HOH   I 6 .   ? 42.515 30.032  -8.582  1.00 53.01 ?  703 HOH   A O    1 
HETATM 4036 O  O    . HOH   I 6 .   ? 61.093 9.029   16.633  1.00 43.92 ?  704 HOH   A O    1 
HETATM 4037 O  O    . HOH   I 6 .   ? 32.217 11.645  -13.132 1.00 40.14 ?  705 HOH   A O    1 
HETATM 4038 O  O    . HOH   I 6 .   ? 67.652 8.413   4.490   1.00 25.37 ?  706 HOH   A O    1 
HETATM 4039 O  O    . HOH   I 6 .   ? 40.382 13.493  11.896  1.00 26.50 ?  707 HOH   A O    1 
HETATM 4040 O  O    . HOH   I 6 .   ? 40.340 16.342  12.063  1.00 38.75 ?  708 HOH   A O    1 
HETATM 4041 O  O    . HOH   I 6 .   ? 36.532 19.247  -14.823 1.00 34.31 ?  709 HOH   A O    1 
HETATM 4042 O  O    . HOH   I 6 .   ? 39.321 6.465   19.241  1.00 28.13 ?  710 HOH   A O    1 
HETATM 4043 O  O    . HOH   I 6 .   ? 61.589 32.976  -1.806  1.00 30.23 ?  711 HOH   A O    1 
HETATM 4044 O  O    . HOH   I 6 .   ? 28.453 10.064  -13.006 1.00 35.63 ?  712 HOH   A O    1 
HETATM 4045 O  O    . HOH   I 6 .   ? 38.900 12.201  14.027  1.00 31.67 ?  713 HOH   A O    1 
HETATM 4046 O  O    . HOH   I 6 .   ? 37.430 4.641   20.603  1.00 29.28 ?  714 HOH   A O    1 
HETATM 4047 O  O    . HOH   I 6 .   ? 35.337 1.466   18.551  1.00 26.67 ?  715 HOH   A O    1 
HETATM 4048 O  O    . HOH   I 6 .   ? 37.680 2.035   19.643  1.00 26.84 ?  716 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    . ILE   A 1   ? 0.1211 0.1267 0.1163 0.0041  -0.0043 0.0045  1   ILE   A N    
2    C  CA   . ILE   A 1   ? 0.1307 0.1321 0.1152 -0.0050 -0.0075 0.0033  1   ILE   A CA   
3    C  C    . ILE   A 1   ? 0.1298 0.1374 0.1302 -0.0066 -0.0049 0.0039  1   ILE   A C    
4    O  O    . ILE   A 1   ? 0.1332 0.1433 0.1327 -0.0021 -0.0222 0.0055  1   ILE   A O    
5    C  CB   . ILE   A 1   ? 0.1226 0.1382 0.1306 -0.0126 0.0001  0.0104  1   ILE   A CB   
6    C  CG1  . ILE   A 1   ? 0.1239 0.1315 0.1349 -0.0016 0.0014  -0.0089 1   ILE   A CG1  
7    C  CG2  . ILE   A 1   ? 0.1510 0.1463 0.1381 -0.0144 -0.0045 0.0081  1   ILE   A CG2  
8    C  CD1  . ILE   A 1   ? 0.1250 0.1386 0.1280 -0.0051 -0.0063 0.0002  1   ILE   A CD1  
9    H  H1   . ILE   A 1   ? 0.1255 0.1269 0.1209 0.0004  -0.0025 0.0026  1   ILE   A H1   
10   H  H2   . ILE   A 1   ? 0.1234 0.1217 0.1187 0.0020  -0.0034 0.0042  1   ILE   A H2   
11   H  H3   . ILE   A 1   ? 0.1230 0.1241 0.1205 0.0021  -0.0020 0.0018  1   ILE   A H3   
12   H  HA   . ILE   A 1   ? 0.1279 0.1298 0.1238 -0.0032 -0.0043 0.0023  1   ILE   A HA   
13   H  HB   . ILE   A 1   ? 0.1298 0.1311 0.1300 -0.0070 -0.0013 0.0027  1   ILE   A HB   
14   H  HG12 . ILE   A 1   ? 0.1257 0.1310 0.1287 -0.0040 -0.0003 -0.0020 1   ILE   A HG12 
15   H  HG13 . ILE   A 1   ? 0.1287 0.1338 0.1316 -0.0039 0.0002  -0.0019 1   ILE   A HG13 
16   H  HG21 . ILE   A 1   ? 0.1444 0.1440 0.1409 -0.0068 0.0025  0.0028  1   ILE   A HG21 
17   H  HG22 . ILE   A 1   ? 0.1473 0.1428 0.1452 -0.0105 -0.0038 0.0058  1   ILE   A HG22 
18   H  HG23 . ILE   A 1   ? 0.1417 0.1398 0.1382 -0.0068 -0.0018 0.0040  1   ILE   A HG23 
19   H  HD11 . ILE   A 1   ? 0.1283 0.1335 0.1307 -0.0031 -0.0022 -0.0005 1   ILE   A HD11 
20   H  HD12 . ILE   A 1   ? 0.1270 0.1345 0.1288 0.0001  -0.0044 -0.0011 1   ILE   A HD12 
21   H  HD13 . ILE   A 1   ? 0.1302 0.1348 0.1315 -0.0023 -0.0009 -0.0009 1   ILE   A HD13 
22   N  N    . ILE   A 2   ? 0.1234 0.1255 0.1299 -0.0015 -0.0110 0.0130  2   ILE   A N    
23   C  CA   . ILE   A 2   ? 0.1235 0.1493 0.1407 0.0007  -0.0136 0.0089  2   ILE   A CA   
24   C  C    . ILE   A 2   ? 0.0994 0.1346 0.1446 -0.0173 -0.0174 0.0119  2   ILE   A C    
25   O  O    . ILE   A 2   ? 0.1287 0.1439 0.1359 -0.0263 -0.0237 0.0046  2   ILE   A O    
26   C  CB   . ILE   A 2   ? 0.1379 0.1702 0.1484 -0.0077 -0.0113 0.0276  2   ILE   A CB   
27   C  CG1  . ILE   A 2   ? 0.1487 0.1864 0.1825 0.0056  -0.0170 0.0079  2   ILE   A CG1  
28   C  CG2  . ILE   A 2   ? 0.1355 0.1862 0.1676 0.0025  -0.0126 0.0062  2   ILE   A CG2  
29   C  CD1  . ILE   A 2   ? 0.1956 0.2371 0.1944 0.0018  0.0043  0.0029  2   ILE   A CD1  
30   H  H    . ILE   A 2   ? 0.1276 0.1240 0.1287 -0.0007 -0.0078 0.0092  2   ILE   A H    
31   H  HA   . ILE   A 2   ? 0.1257 0.1458 0.1410 -0.0047 -0.0110 0.0075  2   ILE   A HA   
32   H  HB   . ILE   A 2   ? 0.1391 0.1590 0.1558 -0.0043 -0.0096 0.0060  2   ILE   A HB   
33   H  HG12 . ILE   A 2   ? 0.1608 0.1765 0.1740 -0.0041 -0.0087 0.0038  2   ILE   A HG12 
34   H  HG13 . ILE   A 2   ? 0.1525 0.1812 0.1664 0.0038  -0.0151 0.0093  2   ILE   A HG13 
35   H  HG21 . ILE   A 2   ? 0.1435 0.1738 0.1666 0.0004  -0.0083 0.0084  2   ILE   A HG21 
36   H  HG22 . ILE   A 2   ? 0.1548 0.1756 0.1626 0.0004  -0.0052 0.0074  2   ILE   A HG22 
37   H  HG23 . ILE   A 2   ? 0.1450 0.1742 0.1650 -0.0031 -0.0073 -0.0046 2   ILE   A HG23 
38   H  HD11 . ILE   A 2   ? 0.1876 0.2195 0.1911 -0.0157 0.0016  -0.0079 2   ILE   A HD11 
39   H  HD12 . ILE   A 2   ? 0.1851 0.2109 0.1974 0.0013  0.0021  0.0056  2   ILE   A HD12 
40   H  HD13 . ILE   A 2   ? 0.1941 0.2075 0.1888 -0.0027 0.0035  0.0005  2   ILE   A HD13 
41   N  N    . GLY   A 3   ? 0.1278 0.1520 0.1552 -0.0017 -0.0265 0.0188  3   GLY   A N    
42   C  CA   . GLY   A 3   ? 0.1633 0.1809 0.1467 -0.0051 -0.0224 0.0165  3   GLY   A CA   
43   C  C    . GLY   A 3   ? 0.1623 0.1545 0.1620 -0.0172 -0.0201 0.0151  3   GLY   A C    
44   O  O    . GLY   A 3   ? 0.1879 0.1936 0.1695 -0.0098 -0.0175 0.0102  3   GLY   A O    
45   H  H    . GLY   A 3   ? 0.1299 0.1507 0.1494 -0.0059 -0.0187 0.0131  3   GLY   A H    
46   H  HA2  . GLY   A 3   ? 0.1547 0.1580 0.1518 0.0005  -0.0100 0.0024  3   GLY   A HA2  
47   H  HA3  . GLY   A 3   ? 0.1589 0.1662 0.1519 0.0035  -0.0177 0.0088  3   GLY   A HA3  
48   N  N    . GLY   A 4   ? 0.1447 0.1493 0.1431 -0.0069 -0.0236 0.0286  4   GLY   A N    
49   C  CA   . GLY   A 4   ? 0.1597 0.1740 0.1356 -0.0021 -0.0205 0.0167  4   GLY   A CA   
50   C  C    . GLY   A 4   ? 0.1560 0.1725 0.1602 -0.0004 0.0032  0.0194  4   GLY   A C    
51   O  O    . GLY   A 4   ? 0.1543 0.1902 0.1826 -0.0137 -0.0089 0.0441  4   GLY   A O    
52   H  H    . GLY   A 4   ? 0.1493 0.1594 0.1574 -0.0043 -0.0198 0.0129  4   GLY   A H    
53   H  HA2  . GLY   A 4   ? 0.1564 0.1691 0.1554 0.0000  -0.0124 0.0120  4   GLY   A HA2  
54   H  HA3  . GLY   A 4   ? 0.1448 0.1637 0.1412 -0.0002 -0.0108 0.0150  4   GLY   A HA3  
55   N  N    . THR   A 5   ? 0.1364 0.1723 0.1370 -0.0083 -0.0227 0.0324  5   THR   A N    
56   C  CA   . THR   A 5   ? 0.1469 0.1759 0.1677 -0.0329 -0.0043 0.0245  5   THR   A CA   
57   C  C    . THR   A 5   ? 0.1403 0.1571 0.1572 -0.0099 -0.0163 0.0233  5   THR   A C    
58   O  O    . THR   A 5   ? 0.1436 0.1758 0.1408 -0.0209 -0.0211 0.0280  5   THR   A O    
59   C  CB   . THR   A 5   ? 0.1991 0.2041 0.1701 -0.0402 -0.0112 0.0030  5   THR   A CB   
60   O  OG1  . THR   A 5   ? 0.2311 0.2419 0.2324 -0.0234 0.0154  -0.0192 5   THR   A OG1  
61   C  CG2  . THR   A 5   ? 0.2123 0.2514 0.1966 -0.0342 -0.0431 0.0030  5   THR   A CG2  
62   H  H    . THR   A 5   ? 0.1433 0.1527 0.1674 0.0075  -0.0069 0.0187  5   THR   A H    
63   H  HA   . THR   A 5   ? 0.1692 0.1799 0.1630 -0.0120 -0.0017 0.0114  5   THR   A HA   
64   H  HB   . THR   A 5   ? 0.1883 0.1896 0.1793 -0.0195 -0.0057 0.0078  5   THR   A HB   
65   H  HG1  . THR   A 5   ? 0.2159 0.2159 0.2159 0.0000  0.0000  0.0000  5   THR   A HG1  
66   H  HG21 . THR   A 5   ? 0.2222 0.2314 0.1992 -0.0200 -0.0132 -0.0099 5   THR   A HG21 
67   H  HG22 . THR   A 5   ? 0.2104 0.2305 0.2124 -0.0236 -0.0232 0.0022  5   THR   A HG22 
68   H  HG23 . THR   A 5   ? 0.2157 0.2229 0.2056 -0.0060 -0.0206 0.0028  5   THR   A HG23 
69   N  N    . GLU   A 6   ? 0.1348 0.1651 0.1407 -0.0140 -0.0279 0.0345  6   GLU   A N    
70   C  CA   . GLU   A 6   ? 0.1463 0.1455 0.1339 -0.0140 -0.0319 0.0076  6   GLU   A CA   
71   C  C    . GLU   A 6   ? 0.1316 0.1520 0.1281 -0.0226 -0.0198 0.0057  6   GLU   A C    
72   O  O    . GLU   A 6   ? 0.1571 0.1648 0.1338 -0.0108 0.0014  0.0023  6   GLU   A O    
73   C  CB   . GLU   A 6   ? 0.1380 0.1539 0.1403 -0.0043 -0.0143 0.0109  6   GLU   A CB   
74   C  CG   . GLU   A 6   ? 0.1498 0.1698 0.1713 -0.0219 -0.0106 0.0013  6   GLU   A CG   
75   C  CD   . GLU   A 6   ? 0.1741 0.1763 0.2085 -0.0096 -0.0412 0.0209  6   GLU   A CD   
76   O  OE1  . GLU   A 6   ? 0.2088 0.2096 0.2987 0.0017  -0.0778 0.0458  6   GLU   A OE1  
77   O  OE2  . GLU   A 6   ? 0.1750 0.1683 0.2055 -0.0172 -0.0390 0.0298  6   GLU   A OE2  
78   H  H    . GLU   A 6   ? 0.1323 0.1413 0.1241 0.0157  -0.0192 0.0191  6   GLU   A H    
79   H  HA   . GLU   A 6   ? 0.1411 0.1508 0.1360 -0.0128 -0.0231 0.0098  6   GLU   A HA   
80   H  HB2  . GLU   A 6   ? 0.1517 0.1590 0.1556 -0.0002 -0.0067 0.0023  6   GLU   A HB2  
81   H  HB3  . GLU   A 6   ? 0.1461 0.1554 0.1435 -0.0075 -0.0126 0.0038  6   GLU   A HB3  
82   H  HG2  . GLU   A 6   ? 0.1670 0.1688 0.1681 -0.0074 -0.0088 0.0021  6   GLU   A HG2  
83   H  HG3  . GLU   A 6   ? 0.1574 0.1685 0.1704 -0.0109 -0.0127 0.0044  6   GLU   A HG3  
84   N  N    . SER   A 7   ? 0.1255 0.1398 0.1247 -0.0224 -0.0099 0.0186  7   SER   A N    
85   C  CA   . SER   A 7   ? 0.1397 0.1364 0.1213 -0.0160 -0.0125 0.0126  7   SER   A CA   
86   C  C    . SER   A 7   ? 0.1331 0.1343 0.1184 -0.0032 -0.0121 0.0128  7   SER   A C    
87   O  O    . SER   A 7   ? 0.1373 0.1521 0.1301 -0.0195 -0.0016 0.0058  7   SER   A O    
88   C  CB   . SER   A 7   ? 0.1378 0.1388 0.1083 -0.0217 -0.0049 0.0051  7   SER   A CB   
89   O  OG   . SER   A 7   ? 0.1468 0.1508 0.0999 -0.0234 -0.0029 0.0145  7   SER   A OG   
90   H  H    . SER   A 7   ? 0.1324 0.1393 0.1318 -0.0169 -0.0102 0.0063  7   SER   A H    
91   H  HA   . SER   A 7   ? 0.1359 0.1353 0.1260 -0.0076 -0.0092 0.0063  7   SER   A HA   
92   H  HB2  . SER   A 7   ? 0.1389 0.1317 0.1208 -0.0110 -0.0063 0.0021  7   SER   A HB2  
93   H  HB3  . SER   A 7   ? 0.1407 0.1406 0.1197 -0.0117 -0.0059 0.0067  7   SER   A HB3  
94   H  HG   . SER   A 7   ? 0.1346 0.1346 0.1346 0.0000  0.0000  0.0000  7   SER   A HG   
95   N  N    . LYS   A 8   ? 0.1358 0.1577 0.1243 -0.0251 -0.0047 0.0032  8   LYS   A N    
96   C  CA   . LYS   A 8   ? 0.1352 0.1535 0.1328 -0.0241 -0.0063 0.0131  8   LYS   A CA   
97   C  C    . LYS   A 8   ? 0.1359 0.1373 0.1271 -0.0081 -0.0094 0.0080  8   LYS   A C    
98   O  O    . LYS   A 8   ? 0.1270 0.1320 0.1203 -0.0201 -0.0009 0.0122  8   LYS   A O    
99   C  CB   . LYS   A 8   ? 0.1735 0.1815 0.1518 -0.0163 -0.0022 -0.0036 8   LYS   A CB   
100  C  CG   . LYS   A 8   ? 0.1859 0.2315 0.1983 -0.0237 0.0075  0.0115  8   LYS   A CG   
101  C  CD   . LYS   A 8   ? 0.2152 0.2697 0.2360 -0.0049 0.0123  -0.0201 8   LYS   A CD   
102  C  CE   . LYS   A 8   ? 0.3157 0.3358 0.2961 -0.0271 0.0326  0.0293  8   LYS   A CE   
103  N  NZ   . LYS   A 8   ? 0.3650 0.3494 0.3105 0.0022  -0.0001 -0.0113 8   LYS   A NZ   
104  H  H    . LYS   A 8   ? 0.1372 0.1476 0.1301 -0.0098 -0.0057 0.0086  8   LYS   A H    
105  H  HA   . LYS   A 8   ? 0.1425 0.1483 0.1376 -0.0088 -0.0025 0.0020  8   LYS   A HA   
106  H  HB2  . LYS   A 8   ? 0.1632 0.1795 0.1605 -0.0117 -0.0035 0.0013  8   LYS   A HB2  
107  H  HB3  . LYS   A 8   ? 0.1655 0.1757 0.1622 -0.0126 0.0005  -0.0038 8   LYS   A HB3  
108  H  HG2  . LYS   A 8   ? 0.1967 0.2168 0.1973 -0.0094 0.0006  0.0000  8   LYS   A HG2  
109  H  HG3  . LYS   A 8   ? 0.1939 0.2143 0.2012 -0.0132 0.0057  -0.0033 8   LYS   A HG3  
110  H  HD2  . LYS   A 8   ? 0.2255 0.2482 0.2281 -0.0055 0.0057  -0.0049 8   LYS   A HD2  
111  H  HD3  . LYS   A 8   ? 0.2423 0.2587 0.2479 -0.0098 0.0126  -0.0011 8   LYS   A HD3  
112  H  HE2  . LYS   A 8   ? 0.3211 0.3065 0.3193 -0.0143 0.0149  0.0055  8   LYS   A HE2  
113  H  HE3  . LYS   A 8   ? 0.3162 0.3101 0.3059 -0.0281 0.0094  0.0165  8   LYS   A HE3  
114  H  HZ1  . LYS   A 8   ? 0.3559 0.3341 0.3264 -0.0091 0.0024  0.0008  8   LYS   A HZ1  
115  H  HZ2  . LYS   A 8   ? 0.3374 0.3467 0.3157 0.0057  -0.0038 -0.0049 8   LYS   A HZ2  
116  H  HZ3  . LYS   A 8   ? 0.3235 0.3129 0.3097 -0.0136 0.0010  0.0069  8   LYS   A HZ3  
117  N  N    . PRO   A 9   ? 0.1345 0.1409 0.1268 -0.0118 -0.0116 0.0101  9   PRO   A N    
118  C  CA   . PRO   A 9   ? 0.1307 0.1271 0.1114 -0.0058 -0.0057 0.0138  9   PRO   A CA   
119  C  C    . PRO   A 9   ? 0.1281 0.1269 0.1157 -0.0084 0.0002  0.0036  9   PRO   A C    
120  O  O    . PRO   A 9   ? 0.1351 0.1490 0.1204 -0.0151 0.0103  0.0138  9   PRO   A O    
121  C  CB   . PRO   A 9   ? 0.1379 0.1285 0.1500 -0.0133 0.0002  0.0014  9   PRO   A CB   
122  C  CG   . PRO   A 9   ? 0.1531 0.1536 0.1596 0.0053  0.0015  0.0199  9   PRO   A CG   
123  C  CD   . PRO   A 9   ? 0.1423 0.1600 0.1329 -0.0087 -0.0035 0.0281  9   PRO   A CD   
124  H  HA   . PRO   A 9   ? 0.1261 0.1283 0.1231 -0.0068 0.0025  0.0071  9   PRO   A HA   
125  H  HB2  . PRO   A 9   ? 0.1396 0.1353 0.1409 -0.0061 -0.0014 0.0056  9   PRO   A HB2  
126  H  HB3  . PRO   A 9   ? 0.1397 0.1372 0.1409 -0.0055 -0.0012 0.0032  9   PRO   A HB3  
127  H  HG2  . PRO   A 9   ? 0.1463 0.1443 0.1456 -0.0036 -0.0010 0.0054  9   PRO   A HG2  
128  H  HG3  . PRO   A 9   ? 0.1505 0.1472 0.1524 -0.0044 -0.0005 0.0124  9   PRO   A HG3  
129  H  HD2  . PRO   A 9   ? 0.1397 0.1508 0.1380 -0.0043 0.0003  0.0174  9   PRO   A HD2  
130  H  HD3  . PRO   A 9   ? 0.1410 0.1506 0.1382 -0.0043 -0.0023 0.0166  9   PRO   A HD3  
131  N  N    . HIS   A 10  ? 0.1069 0.1154 0.1059 -0.0139 0.0054  0.0008  10  HIS   A N    
132  C  CA   . HIS   A 10  ? 0.1076 0.1191 0.1067 -0.0096 0.0140  0.0138  10  HIS   A CA   
133  C  C    . HIS   A 10  ? 0.1113 0.1207 0.1052 -0.0129 0.0098  0.0105  10  HIS   A C    
134  O  O    . HIS   A 10  ? 0.1178 0.1315 0.1290 -0.0049 -0.0028 0.0024  10  HIS   A O    
135  C  CB   . HIS   A 10  ? 0.1045 0.1192 0.1078 -0.0077 0.0126  0.0019  10  HIS   A CB   
136  C  CG   . HIS   A 10  ? 0.1320 0.1152 0.1224 -0.0165 0.0103  -0.0007 10  HIS   A CG   
137  N  ND1  . HIS   A 10  ? 0.1141 0.1177 0.1097 -0.0126 0.0084  0.0129  10  HIS   A ND1  
138  C  CD2  . HIS   A 10  ? 0.1287 0.1278 0.1170 -0.0277 0.0086  0.0131  10  HIS   A CD2  
139  C  CE1  . HIS   A 10  ? 0.1207 0.1205 0.1041 -0.0112 -0.0044 0.0128  10  HIS   A CE1  
140  N  NE2  . HIS   A 10  ? 0.1294 0.1101 0.1291 -0.0246 0.0063  0.0297  10  HIS   A NE2  
141  H  H    . HIS   A 10  ? 0.1088 0.1176 0.1080 -0.0075 0.0056  0.0036  10  HIS   A H    
142  H  HA   . HIS   A 10  ? 0.1089 0.1182 0.1071 -0.0087 0.0083  0.0086  10  HIS   A HA   
143  H  HB2  . HIS   A 10  ? 0.1125 0.1177 0.1080 -0.0070 0.0102  0.0037  10  HIS   A HB2  
144  H  HB3  . HIS   A 10  ? 0.1139 0.1174 0.1123 -0.0042 0.0066  0.0044  10  HIS   A HB3  
145  H  HD1  . HIS   A 10  ? 0.1193 0.1088 0.1068 -0.0105 0.0053  0.0059  10  HIS   A HD1  
146  H  HD2  . HIS   A 10  ? 0.1279 0.1205 0.1160 -0.0197 0.0067  0.0105  10  HIS   A HD2  
147  H  HE1  . HIS   A 10  ? 0.1211 0.1179 0.1157 -0.0112 0.0033  0.0049  10  HIS   A HE1  
148  H  HE2  . HIS   A 10  ? 0.1262 0.1099 0.1178 -0.0156 0.0039  0.0205  10  HIS   A HE2  
149  N  N    . SER   A 11  ? 0.1125 0.1270 0.1078 -0.0125 0.0050  0.0011  11  SER   A N    
150  C  CA   . SER   A 11  ? 0.1244 0.1221 0.1122 -0.0122 0.0065  0.0003  11  SER   A CA   
151  C  C    . SER   A 11  ? 0.1278 0.1239 0.1007 -0.0056 0.0127  -0.0061 11  SER   A C    
152  O  O    . SER   A 11  ? 0.1426 0.1288 0.1152 -0.0170 0.0012  -0.0131 11  SER   A O    
153  C  CB   . SER   A 11  ? 0.1393 0.1396 0.1119 -0.0027 -0.0085 -0.0144 11  SER   A CB   
154  O  OG   . SER   A 11  ? 0.1318 0.1641 0.1249 -0.0310 -0.0051 0.0000  11  SER   A OG   
155  H  H    . SER   A 11  ? 0.1190 0.1237 0.1102 -0.0056 0.0044  0.0033  11  SER   A H    
156  H  HA   . SER   A 11  ? 0.1201 0.1250 0.1137 -0.0064 0.0023  -0.0012 11  SER   A HA   
157  H  HB2  . SER   A 11  ? 0.1324 0.1279 0.1193 -0.0081 -0.0033 -0.0034 11  SER   A HB2  
158  H  HB3  . SER   A 11  ? 0.1334 0.1377 0.1295 -0.0085 -0.0037 -0.0053 11  SER   A HB3  
159  H  HG   . SER   A 11  ? 0.1395 0.1395 0.1395 0.0000  0.0000  0.0000  11  SER   A HG   
160  N  N    . ARG   A 12  ? 0.1179 0.1155 0.0969 -0.0221 0.0067  -0.0101 12  ARG   A N    
161  C  CA   . ARG   A 12  ? 0.1227 0.1248 0.1132 -0.0123 -0.0076 -0.0034 12  ARG   A CA   
162  C  C    . ARG   A 12  ? 0.1058 0.1137 0.1063 -0.0099 0.0097  -0.0119 12  ARG   A C    
163  O  O    . ARG   A 12  ? 0.1146 0.1099 0.0960 -0.0065 0.0031  -0.0101 12  ARG   A O    
164  C  CB   . ARG   A 12  ? 0.1232 0.1194 0.1139 -0.0033 -0.0009 -0.0041 12  ARG   A CB   
165  C  CG   . ARG   A 12  ? 0.1296 0.1358 0.1180 -0.0104 0.0027  0.0040  12  ARG   A CG   
166  C  CD   . ARG   A 12  ? 0.1320 0.1586 0.1474 -0.0160 0.0049  -0.0067 12  ARG   A CD   
167  N  NE   . ARG   A 12  ? 0.1474 0.1606 0.1411 -0.0108 -0.0064 -0.0034 12  ARG   A NE   
168  C  CZ   . ARG   A 12  ? 0.1567 0.1573 0.1607 -0.0158 -0.0174 -0.0046 12  ARG   A CZ   
169  N  NH1  . ARG   A 12  ? 0.1706 0.1494 0.1741 -0.0296 -0.0248 0.0107  12  ARG   A NH1  
170  N  NH2  . ARG   A 12  ? 0.1725 0.1853 0.1798 -0.0204 -0.0388 -0.0212 12  ARG   A NH2  
171  H  H    . ARG   A 12  ? 0.1191 0.1140 0.1051 -0.0100 0.0038  -0.0025 12  ARG   A H    
172  H  HA   . ARG   A 12  ? 0.1214 0.1244 0.1126 -0.0094 -0.0011 -0.0002 12  ARG   A HA   
173  H  HB2  . ARG   A 12  ? 0.1230 0.1203 0.1167 -0.0009 -0.0016 -0.0022 12  ARG   A HB2  
174  H  HB3  . ARG   A 12  ? 0.1226 0.1216 0.1194 -0.0034 -0.0018 -0.0004 12  ARG   A HB3  
175  H  HG2  . ARG   A 12  ? 0.1313 0.1347 0.1280 -0.0063 0.0000  0.0034  12  ARG   A HG2  
176  H  HG3  . ARG   A 12  ? 0.1282 0.1286 0.1244 -0.0059 0.0012  0.0022  12  ARG   A HG3  
177  H  HD2  . ARG   A 12  ? 0.1402 0.1497 0.1424 -0.0101 -0.0008 0.0037  12  ARG   A HD2  
178  H  HD3  . ARG   A 12  ? 0.1394 0.1541 0.1494 -0.0118 0.0013  -0.0059 12  ARG   A HD3  
179  H  HE   . ARG   A 12  ? 0.1498 0.1559 0.1514 -0.0039 -0.0050 -0.0055 12  ARG   A HE   
180  H  HH11 . ARG   A 12  ? 0.1518 0.1595 0.1528 -0.0141 -0.0121 0.0047  12  ARG   A HH11 
181  H  HH12 . ARG   A 12  ? 0.1621 0.1549 0.1630 -0.0184 -0.0162 0.0001  12  ARG   A HH12 
182  H  HH21 . ARG   A 12  ? 0.1742 0.1774 0.1778 -0.0086 -0.0155 -0.0172 12  ARG   A HH21 
183  H  HH22 . ARG   A 12  ? 0.1694 0.1752 0.1751 -0.0121 -0.0231 -0.0041 12  ARG   A HH22 
184  N  N    . PRO   A 13  ? 0.1075 0.1222 0.0983 -0.0124 0.0124  -0.0104 13  PRO   A N    
185  C  CA   . PRO   A 13  ? 0.1045 0.1165 0.1026 -0.0112 0.0019  -0.0037 13  PRO   A CA   
186  C  C    . PRO   A 13  ? 0.0954 0.1060 0.0959 -0.0052 0.0084  -0.0098 13  PRO   A C    
187  O  O    . PRO   A 13  ? 0.0958 0.1122 0.0990 -0.0121 0.0078  -0.0089 13  PRO   A O    
188  C  CB   . PRO   A 13  ? 0.1278 0.1505 0.1165 -0.0241 0.0200  0.0038  13  PRO   A CB   
189  C  CG   . PRO   A 13  ? 0.1359 0.1514 0.1379 0.0003  0.0168  -0.0137 13  PRO   A CG   
190  C  CD   . PRO   A 13  ? 0.1347 0.1370 0.1038 -0.0095 0.0191  -0.0133 13  PRO   A CD   
191  H  HA   . PRO   A 13  ? 0.1088 0.1159 0.1058 -0.0094 0.0064  -0.0037 13  PRO   A HA   
192  H  HB2  . PRO   A 13  ? 0.1322 0.1344 0.1282 -0.0132 0.0109  -0.0020 13  PRO   A HB2  
193  H  HB3  . PRO   A 13  ? 0.1234 0.1303 0.1245 -0.0107 0.0105  -0.0038 13  PRO   A HB3  
194  H  HG2  . PRO   A 13  ? 0.1414 0.1454 0.1368 -0.0096 0.0132  -0.0067 13  PRO   A HG2  
195  H  HG3  . PRO   A 13  ? 0.1340 0.1430 0.1294 -0.0065 0.0059  -0.0091 13  PRO   A HG3  
196  H  HD2  . PRO   A 13  ? 0.1280 0.1289 0.1133 0.0007  0.0130  -0.0078 13  PRO   A HD2  
197  H  HD3  . PRO   A 13  ? 0.1275 0.1322 0.1233 -0.0062 0.0104  -0.0041 13  PRO   A HD3  
198  N  N    . TYR   A 14  ? 0.1084 0.1027 0.0966 -0.0039 0.0116  -0.0109 14  TYR   A N    
199  C  CA   . TYR   A 14  ? 0.1083 0.0985 0.1024 -0.0001 0.0116  -0.0086 14  TYR   A CA   
200  C  C    . TYR   A 14  ? 0.0886 0.0891 0.0887 -0.0001 0.0004  -0.0017 14  TYR   A C    
201  O  O    . TYR   A 14  ? 0.0991 0.0998 0.0889 -0.0050 0.0072  0.0070  14  TYR   A O    
202  C  CB   . TYR   A 14  ? 0.1067 0.0976 0.0963 0.0010  0.0145  -0.0086 14  TYR   A CB   
203  C  CG   . TYR   A 14  ? 0.1126 0.1025 0.0996 0.0010  0.0070  -0.0116 14  TYR   A CG   
204  C  CD1  . TYR   A 14  ? 0.1158 0.1128 0.1062 -0.0062 0.0073  -0.0100 14  TYR   A CD1  
205  C  CD2  . TYR   A 14  ? 0.1223 0.1233 0.1012 0.0000  0.0143  -0.0128 14  TYR   A CD2  
206  C  CE1  . TYR   A 14  ? 0.1145 0.1221 0.1190 -0.0175 0.0093  -0.0057 14  TYR   A CE1  
207  C  CE2  . TYR   A 14  ? 0.1259 0.1314 0.1109 -0.0018 0.0077  -0.0113 14  TYR   A CE2  
208  C  CZ   . TYR   A 14  ? 0.1165 0.1345 0.1216 -0.0055 -0.0031 -0.0176 14  TYR   A CZ   
209  O  OH   . TYR   A 14  ? 0.1435 0.1489 0.1460 -0.0192 -0.0208 -0.0200 14  TYR   A OH   
210  H  H    . TYR   A 14  ? 0.1043 0.1028 0.0996 -0.0025 0.0084  -0.0088 14  TYR   A H    
211  H  HA   . TYR   A 14  ? 0.1072 0.1008 0.1018 0.0021  0.0086  -0.0060 14  TYR   A HA   
212  H  HB2  . TYR   A 14  ? 0.1047 0.0981 0.0998 0.0000  0.0097  -0.0029 14  TYR   A HB2  
213  H  HB3  . TYR   A 14  ? 0.1005 0.0994 0.0996 0.0031  0.0062  -0.0049 14  TYR   A HB3  
214  H  HD1  . TYR   A 14  ? 0.1120 0.1089 0.1055 -0.0035 0.0052  -0.0064 14  TYR   A HD1  
215  H  HD2  . TYR   A 14  ? 0.1130 0.1177 0.1056 0.0000  0.0034  -0.0100 14  TYR   A HD2  
216  H  HE1  . TYR   A 14  ? 0.1136 0.1219 0.1150 -0.0092 0.0055  -0.0071 14  TYR   A HE1  
217  H  HE2  . TYR   A 14  ? 0.1208 0.1263 0.1114 -0.0004 0.0049  -0.0102 14  TYR   A HE2  
218  H  HH   . TYR   A 14  ? 0.1399 0.1399 0.1399 0.0000  0.0000  0.0000  14  TYR   A HH   
219  N  N    . MET   A 15  ? 0.0885 0.0938 0.0799 -0.0030 0.0094  0.0027  15  MET   A N    
220  C  CA   . MET   A 15  ? 0.0895 0.0913 0.0915 -0.0078 0.0112  -0.0020 15  MET   A CA   
221  C  C    . MET   A 15  ? 0.0947 0.0846 0.0931 -0.0009 0.0059  -0.0010 15  MET   A C    
222  O  O    . MET   A 15  ? 0.1111 0.1069 0.0886 -0.0159 0.0140  0.0010  15  MET   A O    
223  C  CB   . MET   A 15  ? 0.0989 0.0915 0.0975 -0.0013 0.0079  0.0054  15  MET   A CB   
224  C  CG   . MET   A 15  ? 0.0935 0.1232 0.0916 -0.0008 0.0038  -0.0033 15  MET   A CG   
225  S  SD   . MET   A 15  ? 0.1065 0.1145 0.1126 -0.0194 0.0056  -0.0048 15  MET   A SD   
226  C  CE   . MET   A 15  ? 0.1126 0.1186 0.1228 -0.0020 0.0003  0.0061  15  MET   A CE   
227  H  H    . MET   A 15  ? 0.0901 0.0902 0.0842 -0.0026 0.0054  0.0051  15  MET   A H    
228  H  HA   . MET   A 15  ? 0.0924 0.0897 0.0913 -0.0045 0.0072  0.0005  15  MET   A HA   
229  H  HB2  . MET   A 15  ? 0.0958 0.0934 0.0911 -0.0041 0.0061  0.0018  15  MET   A HB2  
230  H  HB3  . MET   A 15  ? 0.0960 0.0975 0.0960 -0.0004 0.0047  0.0024  15  MET   A HB3  
231  H  HG2  . MET   A 15  ? 0.0978 0.1073 0.0974 0.0013  0.0041  -0.0015 15  MET   A HG2  
232  H  HG3  . MET   A 15  ? 0.1012 0.1088 0.0998 -0.0011 0.0018  0.0001  15  MET   A HG3  
233  H  HE1  . MET   A 15  ? 0.1131 0.1160 0.1168 -0.0016 0.0014  0.0016  15  MET   A HE1  
234  H  HE2  . MET   A 15  ? 0.1129 0.1158 0.1162 -0.0017 0.0001  0.0005  15  MET   A HE2  
235  H  HE3  . MET   A 15  ? 0.1146 0.1172 0.1180 0.0005  0.0018  0.0021  15  MET   A HE3  
236  N  N    . ALA   A 16  ? 0.0873 0.0958 0.0908 0.0003  0.0054  -0.0026 16  ALA   A N    
237  C  CA   . ALA   A 16  ? 0.0847 0.0859 0.0920 -0.0057 0.0112  0.0005  16  ALA   A CA   
238  C  C    . ALA   A 16  ? 0.0855 0.0861 0.0859 0.0007  0.0059  0.0051  16  ALA   A C    
239  O  O    . ALA   A 16  ? 0.0922 0.0946 0.1024 -0.0124 0.0100  -0.0095 16  ALA   A O    
240  C  CB   . ALA   A 16  ? 0.0986 0.1053 0.0915 -0.0017 0.0017  -0.0026 16  ALA   A CB   
241  H  H    . ALA   A 16  ? 0.0910 0.0923 0.0918 0.0002  0.0042  -0.0022 16  ALA   A H    
242  H  HA   . ALA   A 16  ? 0.0845 0.0845 0.0931 -0.0056 0.0078  0.0017  16  ALA   A HA   
243  H  HB1  . ALA   A 16  ? 0.0969 0.0983 0.0947 -0.0016 0.0004  -0.0002 16  ALA   A HB1  
244  H  HB2  . ALA   A 16  ? 0.0967 0.0971 0.0953 -0.0013 0.0027  -0.0015 16  ALA   A HB2  
245  H  HB3  . ALA   A 16  ? 0.0970 0.0986 0.0944 0.0009  0.0012  -0.0026 16  ALA   A HB3  
246  N  N    . TYR   A 17  ? 0.0851 0.0887 0.0856 -0.0077 0.0096  -0.0019 17  TYR   A N    
247  C  CA   . TYR   A 17  ? 0.0892 0.0892 0.0944 -0.0031 0.0040  -0.0073 17  TYR   A CA   
248  C  C    . TYR   A 17  ? 0.0879 0.0941 0.0971 -0.0006 0.0012  -0.0061 17  TYR   A C    
249  O  O    . TYR   A 17  ? 0.0960 0.1130 0.0858 -0.0155 0.0082  -0.0093 17  TYR   A O    
250  C  CB   . TYR   A 17  ? 0.0986 0.0946 0.1028 -0.0090 -0.0048 -0.0011 17  TYR   A CB   
251  C  CG   . TYR   A 17  ? 0.1198 0.0919 0.1039 -0.0058 0.0013  -0.0043 17  TYR   A CG   
252  C  CD1  . TYR   A 17  ? 0.1204 0.1249 0.1527 -0.0013 -0.0070 -0.0221 17  TYR   A CD1  
253  C  CD2  . TYR   A 17  ? 0.1379 0.1146 0.1208 0.0009  -0.0164 -0.0170 17  TYR   A CD2  
254  C  CE1  . TYR   A 17  ? 0.1357 0.1329 0.1682 0.0000  0.0086  -0.0245 17  TYR   A CE1  
255  C  CE2  . TYR   A 17  ? 0.1533 0.1268 0.1419 0.0118  -0.0055 -0.0248 17  TYR   A CE2  
256  C  CZ   . TYR   A 17  ? 0.1263 0.1351 0.1304 0.0088  0.0266  -0.0151 17  TYR   A CZ   
257  O  OH   . TYR   A 17  ? 0.1539 0.1634 0.2016 0.0390  0.0276  -0.0143 17  TYR   A OH   
258  H  H    . TYR   A 17  ? 0.0828 0.0861 0.0905 -0.0048 0.0071  -0.0004 17  TYR   A H    
259  H  HA   . TYR   A 17  ? 0.0903 0.0904 0.0947 -0.0038 0.0023  -0.0043 17  TYR   A HA   
260  H  HB2  . TYR   A 17  ? 0.1018 0.0961 0.1026 -0.0054 -0.0015 -0.0032 17  TYR   A HB2  
261  H  HB3  . TYR   A 17  ? 0.0979 0.0923 0.1014 -0.0061 -0.0011 -0.0025 17  TYR   A HB3  
262  H  HD1  . TYR   A 17  ? 0.1197 0.1172 0.1258 -0.0033 0.0003  -0.0045 17  TYR   A HD1  
263  H  HD2  . TYR   A 17  ? 0.1256 0.1126 0.1208 0.0003  -0.0023 -0.0121 17  TYR   A HD2  
264  H  HE1  . TYR   A 17  ? 0.1397 0.1319 0.1510 0.0023  0.0062  -0.0174 17  TYR   A HE1  
265  H  HE2  . TYR   A 17  ? 0.1413 0.1209 0.1234 0.0023  0.0020  -0.0108 17  TYR   A HE2  
266  H  HH   . TYR   A 17  ? 0.1627 0.1627 0.1627 0.0000  0.0000  0.0000  17  TYR   A HH   
267  N  N    . LEU   A 18  ? 0.0917 0.0945 0.0852 -0.0119 -0.0038 -0.0088 18  LEU   A N    
268  C  CA   . LEU   A 18  ? 0.0918 0.1004 0.0848 -0.0087 -0.0044 -0.0011 18  LEU   A CA   
269  C  C    . LEU   A 18  ? 0.1175 0.1065 0.0911 -0.0007 -0.0045 -0.0020 18  LEU   A C    
270  O  O    . LEU   A 18  ? 0.1241 0.1135 0.1132 -0.0016 0.0056  -0.0175 18  LEU   A O    
271  C  CB   . LEU   A 18  ? 0.1122 0.1034 0.0919 -0.0089 0.0022  0.0009  18  LEU   A CB   
272  C  CG   . LEU   A 18  ? 0.1372 0.1147 0.1524 0.0040  0.0152  0.0045  18  LEU   A CG   
273  C  CD1  . LEU   A 18  ? 0.1762 0.1458 0.1495 0.0128  0.0080  0.0140  18  LEU   A CD1  
274  C  CD2  . LEU   A 18  ? 0.1175 0.1131 0.1312 0.0086  0.0005  0.0030  18  LEU   A CD2  
275  H  H    . LEU   A 18  ? 0.0881 0.0923 0.0900 -0.0067 -0.0040 -0.0059 18  LEU   A H    
276  H  HA   . LEU   A 18  ? 0.0941 0.1030 0.0917 -0.0095 -0.0048 -0.0034 18  LEU   A HA   
277  H  HB2  . LEU   A 18  ? 0.1078 0.1062 0.1041 -0.0034 0.0004  -0.0005 18  LEU   A HB2  
278  H  HB3  . LEU   A 18  ? 0.1141 0.1091 0.0968 -0.0045 0.0046  -0.0050 18  LEU   A HB3  
279  H  HG   . LEU   A 18  ? 0.1363 0.1203 0.1365 0.0092  0.0101  0.0057  18  LEU   A HG   
280  H  HD11 . LEU   A 18  ? 0.1434 0.1404 0.1384 0.0080  0.0010  -0.0030 18  LEU   A HD11 
281  H  HD12 . LEU   A 18  ? 0.1474 0.1403 0.1450 -0.0011 0.0059  0.0059  18  LEU   A HD12 
282  H  HD13 . LEU   A 18  ? 0.1583 0.1382 0.1558 0.0132  0.0134  0.0076  18  LEU   A HD13 
283  H  HD21 . LEU   A 18  ? 0.1207 0.1152 0.1293 0.0036  0.0013  0.0021  18  LEU   A HD21 
284  H  HD22 . LEU   A 18  ? 0.1151 0.1129 0.1312 0.0051  0.0035  0.0021  18  LEU   A HD22 
285  H  HD23 . LEU   A 18  ? 0.1205 0.1155 0.1277 0.0042  -0.0004 0.0056  18  LEU   A HD23 
286  N  N    . GLU   A 19  ? 0.1233 0.1181 0.1036 -0.0023 0.0025  -0.0160 19  GLU   A N    
287  C  CA   . GLU   A 19  ? 0.1357 0.1324 0.1126 0.0177  0.0108  -0.0130 19  GLU   A CA   
288  C  C    . GLU   A 19  ? 0.1350 0.1144 0.1224 0.0137  0.0104  -0.0092 19  GLU   A C    
289  O  O    . GLU   A 19  ? 0.1459 0.1452 0.1090 0.0067  0.0113  -0.0109 19  GLU   A O    
290  C  CB   . GLU   A 19  ? 0.2020 0.1464 0.1505 0.0058  0.0073  -0.0015 19  GLU   A CB   
291  C  CG   . GLU   A 19  ? 0.2127 0.1720 0.1837 0.0223  0.0186  -0.0146 19  GLU   A CG   
292  C  CD   . GLU   A 19  ? 0.3452 0.2004 0.2845 0.0032  0.0620  0.0163  19  GLU   A CD   
293  O  OE1  . GLU   A 19  ? 0.3752 0.1796 0.2902 0.0088  0.0933  -0.0022 19  GLU   A OE1  
294  O  OE2  . GLU   A 19  ? 0.4051 0.2408 0.2865 0.0342  0.0539  -0.0098 19  GLU   A OE2  
295  H  H    . GLU   A 19  ? 0.1216 0.1161 0.1045 0.0023  0.0012  -0.0088 19  GLU   A H    
296  H  HA   . GLU   A 19  ? 0.1374 0.1273 0.1212 0.0088  0.0059  -0.0084 19  GLU   A HA   
297  H  HB2  . GLU   A 19  ? 0.1836 0.1530 0.1585 0.0123  0.0033  0.0030  19  GLU   A HB2  
298  H  HB3  . GLU   A 19  ? 0.1887 0.1553 0.1554 0.0166  0.0171  -0.0024 19  GLU   A HB3  
299  H  HG2  . GLU   A 19  ? 0.2198 0.1763 0.1957 0.0122  0.0058  -0.0017 19  GLU   A HG2  
300  H  HG3  . GLU   A 19  ? 0.2124 0.1799 0.1962 0.0150  0.0155  -0.0043 19  GLU   A HG3  
301  N  N    . ILE   A 20  ? 0.1303 0.1156 0.1329 0.0124  0.0017  0.0067  20  ILE   A N    
302  C  CA   A ILE   A 20  ? 0.1484 0.1442 0.1163 0.0267  0.0086  -0.0038 20  ILE   A CA   
303  C  CA   B ILE   A 20  ? 0.1372 0.1222 0.1232 0.0193  0.0056  -0.0027 20  ILE   A CA   
304  C  C    . ILE   A 20  ? 0.1407 0.1431 0.1281 0.0060  0.0128  -0.0118 20  ILE   A C    
305  O  O    . ILE   A 20  ? 0.1562 0.1358 0.1302 0.0156  -0.0093 -0.0225 20  ILE   A O    
306  C  CB   A ILE   A 20  ? 0.1663 0.1398 0.1434 0.0204  0.0148  -0.0016 20  ILE   A CB   
307  C  CB   B ILE   A 20  ? 0.1226 0.1209 0.1090 0.0135  0.0178  -0.0096 20  ILE   A CB   
308  C  CG1  A ILE   A 20  ? 0.1855 0.1586 0.1585 0.0114  -0.0068 -0.0058 20  ILE   A CG1  
309  C  CG1  B ILE   A 20  ? 0.1063 0.1038 0.1130 0.0057  0.0109  -0.0100 20  ILE   A CG1  
310  C  CG2  A ILE   A 20  ? 0.1468 0.1402 0.1390 0.0110  0.0139  -0.0014 20  ILE   A CG2  
311  C  CG2  B ILE   A 20  ? 0.1389 0.1278 0.1238 0.0023  0.0147  0.0039  20  ILE   A CG2  
312  C  CD1  A ILE   A 20  ? 0.1793 0.1860 0.1688 -0.0040 0.0210  0.0106  20  ILE   A CD1  
313  C  CD1  B ILE   A 20  ? 0.1356 0.1054 0.1141 0.0013  -0.0084 -0.0077 20  ILE   A CD1  
314  H  H    . ILE   A 20  ? 0.1309 0.1241 0.1267 0.0128  0.0009  0.0001  20  ILE   A H    
315  H  HA   A ILE   A 20  ? 0.1385 0.1372 0.1295 0.0109  0.0051  -0.0017 20  ILE   A HA   
316  H  HA   B ILE   A 20  ? 0.1338 0.1286 0.1267 0.0106  0.0055  -0.0033 20  ILE   A HA   
317  H  HB   A ILE   A 20  ? 0.1493 0.1473 0.1425 0.0065  0.0072  -0.0038 20  ILE   A HB   
318  H  HB   B ILE   A 20  ? 0.1247 0.1212 0.1177 0.0100  0.0089  -0.0052 20  ILE   A HB   
319  H  HG12 A ILE   A 20  ? 0.1721 0.1598 0.1584 0.0059  0.0001  -0.0006 20  ILE   A HG12 
320  H  HG12 B ILE   A 20  ? 0.1188 0.1144 0.1167 0.0059  0.0012  0.0017  20  ILE   A HG12 
321  H  HG13 A ILE   A 20  ? 0.1767 0.1675 0.1613 0.0065  -0.0020 -0.0057 20  ILE   A HG13 
322  H  HG13 B ILE   A 20  ? 0.1131 0.1154 0.1139 -0.0048 0.0122  -0.0008 20  ILE   A HG13 
323  H  HG21 A ILE   A 20  ? 0.1488 0.1392 0.1405 0.0091  0.0103  -0.0023 20  ILE   A HG21 
324  H  HG21 B ILE   A 20  ? 0.1316 0.1270 0.1260 0.0035  0.0090  0.0020  20  ILE   A HG21 
325  H  HG22 A ILE   A 20  ? 0.1511 0.1477 0.1428 0.0041  0.0101  -0.0010 20  ILE   A HG22 
326  H  HG22 B ILE   A 20  ? 0.1337 0.1298 0.1247 0.0006  0.0104  0.0000  20  ILE   A HG22 
327  H  HG23 A ILE   A 20  ? 0.1447 0.1416 0.1428 0.0061  0.0093  -0.0009 20  ILE   A HG23 
328  H  HG23 B ILE   A 20  ? 0.1382 0.1282 0.1252 0.0023  0.0124  -0.0001 20  ILE   A HG23 
329  H  HD11 A ILE   A 20  ? 0.1822 0.1800 0.1708 -0.0048 0.0081  0.0031  20  ILE   A HD11 
330  H  HD11 B ILE   A 20  ? 0.1231 0.1140 0.1194 0.0060  -0.0055 0.0007  20  ILE   A HD11 
331  H  HD12 A ILE   A 20  ? 0.1740 0.1785 0.1760 0.0049  0.0086  0.0073  20  ILE   A HD12 
332  H  HD12 B ILE   A 20  ? 0.1244 0.1133 0.1157 0.0051  -0.0001 -0.0067 20  ILE   A HD12 
333  H  HD13 A ILE   A 20  ? 0.1711 0.1685 0.1683 0.0005  0.0060  0.0012  20  ILE   A HD13 
334  H  HD13 B ILE   A 20  ? 0.1269 0.1178 0.1215 0.0031  -0.0008 -0.0042 20  ILE   A HD13 
335  N  N    . VAL   A 21  ? 0.1641 0.1489 0.1554 0.0120  -0.0169 0.0021  21  VAL   A N    
336  C  CA   . VAL   A 21  ? 0.2200 0.1935 0.2027 0.0295  -0.0145 -0.0314 21  VAL   A CA   
337  C  C    . VAL   A 21  ? 0.2425 0.2202 0.1928 0.0297  -0.0084 -0.0277 21  VAL   A C    
338  O  O    . VAL   A 21  ? 0.2343 0.2132 0.1310 0.0190  -0.0092 -0.0498 21  VAL   A O    
339  C  CB   . VAL   A 21  ? 0.2733 0.2760 0.3112 -0.0226 -0.0220 -0.0092 21  VAL   A CB   
340  C  CG1  . VAL   A 21  ? 0.3356 0.2998 0.3565 -0.0114 -0.0476 -0.0335 21  VAL   A CG1  
341  C  CG2  . VAL   A 21  ? 0.3249 0.3171 0.3253 -0.0226 0.0163  -0.0045 21  VAL   A CG2  
342  H  H    . VAL   A 21  ? 0.1586 0.1541 0.1579 0.0090  -0.0062 -0.0055 21  VAL   A H    
343  H  HA   . VAL   A 21  ? 0.2034 0.1956 0.1997 0.0110  -0.0140 -0.0110 21  VAL   A HA   
344  H  HB   . VAL   A 21  ? 0.2743 0.2702 0.2757 -0.0150 -0.0098 -0.0168 21  VAL   A HB   
345  H  HG11 . VAL   A 21  ? 0.2989 0.3179 0.3260 -0.0132 -0.0250 -0.0324 21  VAL   A HG11 
346  H  HG12 . VAL   A 21  ? 0.2999 0.3018 0.3191 0.0060  -0.0262 -0.0183 21  VAL   A HG12 
347  H  HG13 . VAL   A 21  ? 0.3098 0.3114 0.3232 -0.0195 -0.0310 -0.0215 21  VAL   A HG13 
348  H  HG21 . VAL   A 21  ? 0.3082 0.3150 0.3045 -0.0230 0.0138  -0.0087 21  VAL   A HG21 
349  H  HG22 . VAL   A 21  ? 0.2919 0.3017 0.3039 0.0034  0.0083  0.0005  21  VAL   A HG22 
350  H  HG23 . VAL   A 21  ? 0.2866 0.2970 0.2975 -0.0155 0.0025  0.0129  21  VAL   A HG23 
351  N  N    . THR   A 22  ? 0.2551 0.2737 0.2263 0.0632  0.0131  -0.0047 22  THR   A N    
352  C  CA   . THR   A 22  ? 0.3047 0.2861 0.2750 0.0508  0.0077  0.0433  22  THR   A CA   
353  C  C    . THR   A 22  ? 0.3497 0.3348 0.2922 0.0829  0.0131  -0.0010 22  THR   A C    
354  O  O    . THR   A 22  ? 0.4401 0.3397 0.2130 0.0554  0.0152  -0.0220 22  THR   A O    
355  C  CB   . THR   A 22  ? 0.3438 0.3070 0.3541 -0.0048 0.0418  0.0170  22  THR   A CB   
356  O  OG1  . THR   A 22  ? 0.3215 0.3900 0.3788 0.0576  0.0756  -0.0065 22  THR   A OG1  
357  C  CG2  . THR   A 22  ? 0.3525 0.3324 0.3491 0.0133  0.0159  -0.0031 22  THR   A CG2  
358  H  H    . THR   A 22  ? 0.2454 0.2377 0.2438 0.0265  -0.0044 0.0100  22  THR   A H    
359  H  HA   . THR   A 22  ? 0.2659 0.2615 0.2738 0.0357  -0.0067 0.0289  22  THR   A HA   
360  H  HB   . THR   A 22  ? 0.3334 0.3268 0.3277 0.0149  0.0134  0.0031  22  THR   A HB   
361  H  HG1  . THR   A 22  ? 0.3430 0.3430 0.3430 0.0000  0.0000  0.0000  22  THR   A HG1  
362  H  HG21 . THR   A 22  ? 0.3372 0.3366 0.3525 -0.0027 0.0104  0.0004  22  THR   A HG21 
363  H  HG22 . THR   A 22  ? 0.3446 0.3396 0.3457 0.0111  0.0100  -0.0015 22  THR   A HG22 
364  H  HG23 . THR   A 22  ? 0.3322 0.3203 0.3378 0.0076  0.0012  -0.0101 22  THR   A HG23 
365  N  N    . SER   A 23  ? 0.4088 0.3313 0.3135 0.0679  0.0059  0.0077  23  SER   A N    
366  C  CA   . SER   A 23  ? 0.3772 0.3505 0.3294 0.0377  -0.0103 0.0021  23  SER   A CA   
367  C  C    . SER   A 23  ? 0.3500 0.3232 0.3064 0.0182  -0.0480 -0.0269 23  SER   A C    
368  O  O    . SER   A 23  ? 0.3060 0.2753 0.2306 0.0384  -0.0610 0.0132  23  SER   A O    
369  C  CB   . SER   A 23  ? 0.4296 0.3928 0.3475 0.0582  -0.0634 -0.0170 23  SER   A CB   
370  O  OG   . SER   A 23  ? 0.4339 0.5741 0.4217 0.0125  -0.0573 -0.0767 23  SER   A OG   
371  H  H    . SER   A 23  ? 0.3781 0.3300 0.3184 0.0544  0.0011  0.0058  23  SER   A H    
372  H  HA   . SER   A 23  ? 0.3758 0.3553 0.3381 0.0240  -0.0146 -0.0036 23  SER   A HA   
373  H  HB2  . SER   A 23  ? 0.4283 0.4002 0.3815 0.0328  -0.0382 -0.0220 23  SER   A HB2  
374  H  HB3  . SER   A 23  ? 0.4059 0.3751 0.3602 0.0322  -0.0379 -0.0114 23  SER   A HB3  
375  H  HG   . SER   A 23  ? 0.4045 0.4045 0.4045 0.0000  0.0000  0.0000  23  SER   A HG   
376  N  N    . ASN   A 24  ? 0.2952 0.2772 0.2487 0.0436  0.0179  0.0252  24  ASN   A N    
377  C  CA   . ASN   A 24  ? 0.3182 0.3326 0.2940 0.0648  0.0377  0.0266  24  ASN   A CA   
378  C  C    . ASN   A 24  ? 0.2956 0.3259 0.2594 0.0399  0.0546  -0.0121 24  ASN   A C    
379  O  O    . ASN   A 24  ? 0.3094 0.4139 0.2779 0.0632  0.0765  0.0907  24  ASN   A O    
380  C  CB   . ASN   A 24  ? 0.3552 0.3580 0.3623 0.0002  0.0414  0.0438  24  ASN   A CB   
381  C  CG   . ASN   A 24  ? 0.4694 0.4053 0.4471 -0.0232 0.0494  -0.0230 24  ASN   A CG   
382  O  OD1  . ASN   A 24  ? 0.5858 0.5401 0.4028 0.0133  0.0534  -0.0159 24  ASN   A OD1  
383  N  ND2  . ASN   A 24  ? 0.4516 0.5020 0.5120 -0.0442 0.0800  -0.0278 24  ASN   A ND2  
384  H  H    . ASN   A 24  ? 0.3210 0.3035 0.2862 0.0317  0.0072  -0.0035 24  ASN   A H    
385  H  HA   . ASN   A 24  ? 0.3167 0.3389 0.3030 0.0361  0.0246  0.0198  24  ASN   A HA   
386  H  HB2  . ASN   A 24  ? 0.3561 0.3614 0.3585 0.0062  0.0248  0.0246  24  ASN   A HB2  
387  H  HB3  . ASN   A 24  ? 0.3754 0.3612 0.3732 0.0043  0.0198  0.0227  24  ASN   A HB3  
388  H  HD21 . ASN   A 24  ? 0.4531 0.4534 0.4829 0.0013  0.0512  0.0091  24  ASN   A HD21 
389  H  HD22 . ASN   A 24  ? 0.4404 0.4466 0.4392 -0.0222 0.0191  0.0129  24  ASN   A HD22 
390  N  N    . GLY   A 25  ? 0.2699 0.1881 0.2185 0.0446  0.0023  -0.0126 25  GLY   A N    
391  C  CA   . GLY   A 25  ? 0.1945 0.1976 0.1865 0.0197  0.0298  -0.0335 25  GLY   A CA   
392  C  C    . GLY   A 25  ? 0.1849 0.1755 0.1766 0.0131  0.0040  -0.0061 25  GLY   A C    
393  O  O    . GLY   A 25  ? 0.2017 0.1624 0.1636 0.0135  -0.0114 -0.0358 25  GLY   A O    
394  H  H    . GLY   A 25  ? 0.2478 0.2186 0.2203 0.0154  0.0042  -0.0094 25  GLY   A H    
395  H  HA2  . GLY   A 25  ? 0.1889 0.1807 0.2055 0.0220  0.0193  -0.0182 25  GLY   A HA2  
396  H  HA3  . GLY   A 25  ? 0.2046 0.2035 0.1957 0.0065  0.0173  -0.0160 25  GLY   A HA3  
397  N  N    . PRO   A 26  ? 0.1701 0.1678 0.1567 0.0153  0.0114  -0.0071 26  PRO   A N    
398  C  CA   . PRO   A 26  ? 0.1692 0.1514 0.1401 0.0129  0.0055  -0.0182 26  PRO   A CA   
399  C  C    . PRO   A 26  ? 0.1729 0.1407 0.1632 0.0095  -0.0004 -0.0156 26  PRO   A C    
400  O  O    . PRO   A 26  ? 0.1767 0.1529 0.1364 0.0095  0.0007  -0.0201 26  PRO   A O    
401  C  CB   . PRO   A 26  ? 0.2063 0.1705 0.1572 0.0233  -0.0151 -0.0262 26  PRO   A CB   
402  C  CG   . PRO   A 26  ? 0.2038 0.1736 0.1840 0.0198  -0.0325 -0.0066 26  PRO   A CG   
403  C  CD   . PRO   A 26  ? 0.1761 0.1894 0.1772 0.0088  0.0090  -0.0081 26  PRO   A CD   
404  H  HA   . PRO   A 26  ? 0.1700 0.1622 0.1551 0.0053  0.0043  -0.0122 26  PRO   A HA   
405  H  HB2  . PRO   A 26  ? 0.1884 0.1648 0.1617 0.0163  -0.0049 -0.0195 26  PRO   A HB2  
406  H  HB3  . PRO   A 26  ? 0.1897 0.1659 0.1608 0.0150  -0.0101 -0.0146 26  PRO   A HB3  
407  H  HG2  . PRO   A 26  ? 0.1966 0.1744 0.1785 0.0092  -0.0158 -0.0037 26  PRO   A HG2  
408  H  HG3  . PRO   A 26  ? 0.1788 0.1715 0.1766 0.0071  -0.0165 -0.0076 26  PRO   A HG3  
409  H  HD2  . PRO   A 26  ? 0.1841 0.1823 0.1753 0.0073  -0.0005 -0.0082 26  PRO   A HD2  
410  H  HD3  . PRO   A 26  ? 0.1806 0.1755 0.1742 0.0065  -0.0015 -0.0030 26  PRO   A HD3  
411  N  N    . SER   A 27  ? 0.1994 0.1501 0.1457 0.0232  0.0050  -0.0167 27  SER   A N    
412  C  CA   . SER   A 27  ? 0.1767 0.1546 0.1724 0.0178  0.0143  -0.0320 27  SER   A CA   
413  C  C    . SER   A 27  ? 0.1642 0.1746 0.1562 0.0166  -0.0019 -0.0132 27  SER   A C    
414  O  O    . SER   A 27  ? 0.1947 0.1904 0.1610 0.0429  -0.0141 -0.0525 27  SER   A O    
415  C  CB   . SER   A 27  ? 0.2006 0.2103 0.1780 0.0194  0.0344  -0.0202 27  SER   A CB   
416  O  OG   . SER   A 27  ? 0.2655 0.2175 0.2559 -0.0083 0.0290  -0.0530 27  SER   A OG   
417  H  H    . SER   A 27  ? 0.1825 0.1655 0.1603 0.0069  0.0071  -0.0121 27  SER   A H    
418  H  HA   . SER   A 27  ? 0.1804 0.1728 0.1708 0.0040  0.0013  -0.0138 27  SER   A HA   
419  H  HB2  . SER   A 27  ? 0.2019 0.1967 0.1947 -0.0002 0.0114  -0.0118 27  SER   A HB2  
420  H  HB3  . SER   A 27  ? 0.1983 0.1766 0.1769 0.0142  0.0146  -0.0106 27  SER   A HB3  
421  H  HG   . SER   A 27  ? 0.2258 0.2258 0.2258 0.0000  0.0000  0.0000  27  SER   A HG   
422  N  N    . LYS   A 28  ? 0.1694 0.1616 0.1423 0.0077  -0.0069 -0.0296 28  LYS   A N    
423  C  CA   . LYS   A 28  ? 0.1529 0.1739 0.1492 0.0158  0.0017  -0.0367 28  LYS   A CA   
424  C  C    . LYS   A 28  ? 0.1476 0.1466 0.1378 0.0179  -0.0050 -0.0212 28  LYS   A C    
425  O  O    . LYS   A 28  ? 0.1580 0.1487 0.1032 0.0153  -0.0019 -0.0250 28  LYS   A O    
426  C  CB   . LYS   A 28  ? 0.2080 0.1929 0.1635 -0.0243 0.0192  -0.0428 28  LYS   A CB   
427  C  CG   . LYS   A 28  ? 0.2274 0.2758 0.2081 -0.0122 0.0459  -0.0367 28  LYS   A CG   
428  C  CD   . LYS   A 28  ? 0.3188 0.2797 0.2967 -0.0210 0.0388  -0.0091 28  LYS   A CD   
429  C  CE   . LYS   A 28  ? 0.3628 0.3353 0.3670 -0.0225 0.0068  0.0420  28  LYS   A CE   
430  N  NZ   . LYS   A 28  ? 0.4637 0.4531 0.4065 0.0111  0.0494  0.0306  28  LYS   A NZ   
431  H  H    . LYS   A 28  ? 0.1654 0.1667 0.1548 0.0037  -0.0068 -0.0206 28  LYS   A H    
432  H  HA   . LYS   A 28  ? 0.1603 0.1692 0.1530 0.0069  -0.0079 -0.0238 28  LYS   A HA   
433  H  HB2  . LYS   A 28  ? 0.2083 0.2024 0.1828 -0.0169 0.0149  -0.0284 28  LYS   A HB2  
434  H  HB3  . LYS   A 28  ? 0.1886 0.1709 0.1632 -0.0201 0.0117  -0.0327 28  LYS   A HB3  
435  H  HG2  . LYS   A 28  ? 0.2446 0.2467 0.2231 -0.0157 0.0212  -0.0217 28  LYS   A HG2  
436  H  HG3  . LYS   A 28  ? 0.2415 0.2396 0.2270 -0.0083 0.0290  -0.0184 28  LYS   A HG3  
437  H  HD2  . LYS   A 28  ? 0.2775 0.2734 0.2699 -0.0137 0.0199  0.0028  28  LYS   A HD2  
438  H  HD3  . LYS   A 28  ? 0.2886 0.2930 0.2919 -0.0126 0.0036  -0.0019 28  LYS   A HD3  
439  H  HE2  . LYS   A 28  ? 0.3257 0.3256 0.3311 0.0020  0.0052  0.0079  28  LYS   A HE2  
440  H  HE3  . LYS   A 28  ? 0.3567 0.3228 0.3460 -0.0099 0.0154  0.0078  28  LYS   A HE3  
441  H  HZ1  . LYS   A 28  ? 0.4010 0.4117 0.3972 0.0197  -0.0039 -0.0010 28  LYS   A HZ1  
442  H  HZ2  . LYS   A 28  ? 0.4309 0.3914 0.4168 -0.0002 0.0406  0.0147  28  LYS   A HZ2  
443  H  HZ3  . LYS   A 28  ? 0.4085 0.4045 0.3856 -0.0263 0.0294  -0.0099 28  LYS   A HZ3  
444  N  N    . PHE   A 29  ? 0.1315 0.1420 0.1418 0.0179  0.0035  -0.0278 29  PHE   A N    
445  C  CA   . PHE   A 29  ? 0.1505 0.1315 0.1253 0.0026  0.0068  -0.0068 29  PHE   A CA   
446  C  C    . PHE   A 29  ? 0.1210 0.1246 0.1056 0.0051  0.0022  -0.0111 29  PHE   A C    
447  O  O    . PHE   A 29  ? 0.1229 0.1557 0.1413 0.0016  0.0202  -0.0235 29  PHE   A O    
448  C  CB   . PHE   A 29  ? 0.1753 0.1558 0.1603 0.0256  0.0012  0.0030  29  PHE   A CB   
449  C  CG   . PHE   A 29  ? 0.1783 0.1574 0.1652 0.0189  -0.0018 -0.0066 29  PHE   A CG   
450  C  CD1  . PHE   A 29  ? 0.1879 0.1709 0.1496 0.0109  0.0027  0.0193  29  PHE   A CD1  
451  C  CD2  . PHE   A 29  ? 0.2004 0.1868 0.1586 0.0204  0.0147  -0.0102 29  PHE   A CD2  
452  C  CE1  . PHE   A 29  ? 0.2097 0.1799 0.1833 0.0018  0.0148  0.0065  29  PHE   A CE1  
453  C  CE2  . PHE   A 29  ? 0.2018 0.1746 0.1692 0.0102  0.0097  0.0156  29  PHE   A CE2  
454  C  CZ   . PHE   A 29  ? 0.1966 0.1850 0.1958 0.0109  -0.0024 -0.0024 29  PHE   A CZ   
455  H  H    . PHE   A 29  ? 0.1415 0.1414 0.1376 0.0042  0.0026  -0.0176 29  PHE   A H    
456  H  HA   . PHE   A 29  ? 0.1456 0.1364 0.1307 0.0088  0.0063  -0.0083 29  PHE   A HA   
457  H  HB2  . PHE   A 29  ? 0.1716 0.1524 0.1538 0.0161  0.0072  0.0000  29  PHE   A HB2  
458  H  HB3  . PHE   A 29  ? 0.1684 0.1564 0.1589 0.0114  0.0013  0.0014  29  PHE   A HB3  
459  H  HD1  . PHE   A 29  ? 0.1774 0.1714 0.1666 0.0028  0.0049  0.0068  29  PHE   A HD1  
460  H  HD2  . PHE   A 29  ? 0.1900 0.1828 0.1693 0.0143  -0.0020 -0.0079 29  PHE   A HD2  
461  H  HE1  . PHE   A 29  ? 0.1910 0.1839 0.1802 0.0069  -0.0015 0.0026  29  PHE   A HE1  
462  H  HE2  . PHE   A 29  ? 0.1869 0.1809 0.1769 0.0020  0.0050  0.0059  29  PHE   A HE2  
463  H  HZ   . PHE   A 29  ? 0.1965 0.1856 0.1861 0.0047  0.0032  0.0024  29  PHE   A HZ   
464  N  N    . CYS   A 30  ? 0.1165 0.1135 0.1138 -0.0005 0.0041  -0.0110 30  CYS   A N    
465  C  CA   . CYS   A 30  ? 0.0994 0.1084 0.1031 -0.0080 0.0046  -0.0101 30  CYS   A CA   
466  C  C    . CYS   A 30  ? 0.0909 0.0922 0.0848 -0.0008 -0.0065 0.0024  30  CYS   A C    
467  O  O    . CYS   A 30  ? 0.1086 0.0913 0.0984 -0.0098 -0.0018 -0.0073 30  CYS   A O    
468  C  CB   . CYS   A 30  ? 0.1341 0.1092 0.1011 -0.0014 0.0131  -0.0043 30  CYS   A CB   
469  S  SG   . CYS   A 30  ? 0.1327 0.1570 0.1170 -0.0155 0.0050  0.0033  30  CYS   A SG   
470  H  H    . CYS   A 30  ? 0.1162 0.1144 0.1101 -0.0002 0.0028  -0.0077 30  CYS   A H    
471  H  HA   . CYS   A 30  ? 0.1016 0.1072 0.1027 -0.0054 -0.0002 -0.0067 30  CYS   A HA   
472  H  HB2  . CYS   A 30  ? 0.1242 0.1200 0.1112 0.0030  0.0094  -0.0020 30  CYS   A HB2  
473  H  HB3  . CYS   A 30  ? 0.1183 0.1105 0.1045 -0.0002 0.0068  -0.0038 30  CYS   A HB3  
474  H  HG   . CYS   A 30  ? 0.1322 0.1447 0.1227 -0.0120 0.0030  0.0093  30  CYS   A HG   
475  N  N    . GLY   A 31  ? 0.0824 0.0980 0.0773 -0.0044 0.0035  -0.0052 31  GLY   A N    
476  C  CA   . GLY   A 31  ? 0.0787 0.0864 0.0783 -0.0047 0.0034  -0.0009 31  GLY   A CA   
477  C  C    . GLY   A 31  ? 0.0861 0.0758 0.0846 -0.0066 0.0036  0.0005  31  GLY   A C    
478  O  O    . GLY   A 31  ? 0.0935 0.1109 0.0833 -0.0009 0.0069  0.0062  31  GLY   A O    
479  H  H    . GLY   A 31  ? 0.0861 0.0904 0.0816 -0.0016 0.0022  -0.0016 31  GLY   A H    
480  H  HA2  . GLY   A 31  ? 0.0831 0.0837 0.0828 -0.0033 0.0032  -0.0004 31  GLY   A HA2  
481  H  HA3  . GLY   A 31  ? 0.0829 0.0866 0.0820 -0.0034 0.0009  -0.0030 31  GLY   A HA3  
482  N  N    . GLY   A 32  ? 0.0869 0.0914 0.0868 0.0064  0.0060  0.0070  32  GLY   A N    
483  C  CA   . GLY   A 32  ? 0.0839 0.0837 0.0867 0.0018  0.0024  0.0016  32  GLY   A CA   
484  C  C    . GLY   A 32  ? 0.0743 0.0804 0.0831 -0.0105 -0.0017 0.0034  32  GLY   A C    
485  O  O    . GLY   A 32  ? 0.0925 0.0972 0.0827 -0.0102 -0.0003 0.0018  32  GLY   A O    
486  H  H    . GLY   A 32  ? 0.0849 0.0840 0.0844 0.0007  0.0030  0.0021  32  GLY   A H    
487  H  HA2  . GLY   A 32  ? 0.0852 0.0860 0.0885 -0.0005 0.0012  0.0022  32  GLY   A HA2  
488  H  HA3  . GLY   A 32  ? 0.0858 0.0851 0.0878 0.0003  0.0006  0.0021  32  GLY   A HA3  
489  N  N    . PHE   A 33  ? 0.0816 0.0902 0.0798 0.0000  0.0000  0.0069  33  PHE   A N    
490  C  CA   . PHE   A 33  ? 0.0921 0.1029 0.0883 -0.0037 0.0060  0.0035  33  PHE   A CA   
491  C  C    . PHE   A 33  ? 0.0969 0.0930 0.0975 0.0074  0.0103  -0.0049 33  PHE   A C    
492  O  O    . PHE   A 33  ? 0.0911 0.1073 0.0993 0.0018  0.0118  0.0006  33  PHE   A O    
493  C  CB   . PHE   A 33  ? 0.1028 0.1120 0.1014 0.0011  0.0030  -0.0133 33  PHE   A CB   
494  C  CG   . PHE   A 33  ? 0.1318 0.1242 0.1250 -0.0169 -0.0014 -0.0117 33  PHE   A CG   
495  C  CD1  . PHE   A 33  ? 0.1560 0.1317 0.1236 -0.0067 0.0116  -0.0134 33  PHE   A CD1  
496  C  CD2  . PHE   A 33  ? 0.1429 0.1346 0.1516 0.0026  -0.0060 -0.0049 33  PHE   A CD2  
497  C  CE1  . PHE   A 33  ? 0.1669 0.1557 0.1351 -0.0132 0.0109  0.0050  33  PHE   A CE1  
498  C  CE2  . PHE   A 33  ? 0.1660 0.1405 0.1645 -0.0021 -0.0025 0.0040  33  PHE   A CE2  
499  C  CZ   . PHE   A 33  ? 0.1672 0.1463 0.1836 -0.0120 0.0009  0.0149  33  PHE   A CZ   
500  H  H    . PHE   A 33  ? 0.0829 0.0846 0.0819 -0.0004 0.0001  0.0051  33  PHE   A H    
501  H  HA   . PHE   A 33  ? 0.0926 0.0974 0.0923 -0.0004 0.0036  0.0004  33  PHE   A HA   
502  H  HB2  . PHE   A 33  ? 0.1023 0.1122 0.1015 0.0007  0.0029  -0.0068 33  PHE   A HB2  
503  H  HB3  . PHE   A 33  ? 0.1073 0.1125 0.1047 -0.0011 -0.0005 -0.0055 33  PHE   A HB3  
504  H  HD1  . PHE   A 33  ? 0.1358 0.1323 0.1203 -0.0038 0.0039  -0.0027 33  PHE   A HD1  
505  H  HD2  . PHE   A 33  ? 0.1446 0.1317 0.1453 -0.0018 -0.0056 -0.0039 33  PHE   A HD2  
506  H  HE1  . PHE   A 33  ? 0.1487 0.1466 0.1429 -0.0087 0.0026  0.0021  33  PHE   A HE1  
507  H  HE2  . PHE   A 33  ? 0.1561 0.1463 0.1615 -0.0008 -0.0007 0.0027  33  PHE   A HE2  
508  H  HZ   . PHE   A 33  ? 0.1607 0.1438 0.1582 -0.0075 0.0020  0.0072  33  PHE   A HZ   
509  N  N    . LEU   A 34  ? 0.0963 0.1135 0.0937 0.0010  0.0094  0.0005  34  LEU   A N    
510  C  CA   . LEU   A 34  ? 0.0981 0.1113 0.1002 0.0069  0.0090  -0.0068 34  LEU   A CA   
511  C  C    . LEU   A 34  ? 0.0955 0.1108 0.1038 0.0058  0.0145  -0.0044 34  LEU   A C    
512  O  O    . LEU   A 34  ? 0.1488 0.1229 0.1084 0.0156  0.0030  -0.0015 34  LEU   A O    
513  C  CB   . LEU   A 34  ? 0.1037 0.1060 0.1020 0.0018  0.0094  -0.0094 34  LEU   A CB   
514  C  CG   . LEU   A 34  ? 0.0999 0.1172 0.1016 0.0136  0.0102  -0.0054 34  LEU   A CG   
515  C  CD1  . LEU   A 34  ? 0.1056 0.1151 0.1127 -0.0030 0.0130  -0.0130 34  LEU   A CD1  
516  C  CD2  . LEU   A 34  ? 0.1016 0.1302 0.1137 -0.0040 0.0075  -0.0088 34  LEU   A CD2  
517  H  H    . LEU   A 34  ? 0.0980 0.1044 0.0997 0.0019  0.0063  0.0006  34  LEU   A H    
518  H  HA   . LEU   A 34  ? 0.1004 0.1095 0.1026 0.0032  0.0053  -0.0061 34  LEU   A HA   
519  H  HB2  . LEU   A 34  ? 0.1029 0.1054 0.1029 0.0027  0.0064  -0.0053 34  LEU   A HB2  
520  H  HB3  . LEU   A 34  ? 0.1044 0.1095 0.1024 0.0040  0.0062  -0.0074 34  LEU   A HB3  
521  H  HG   . LEU   A 34  ? 0.1040 0.1060 0.1068 0.0035  0.0078  -0.0066 34  LEU   A HG   
522  H  HD11 . LEU   A 34  ? 0.1084 0.1146 0.1120 0.0018  0.0075  -0.0065 34  LEU   A HD11 
523  H  HD12 . LEU   A 34  ? 0.1092 0.1143 0.1098 -0.0005 0.0039  -0.0078 34  LEU   A HD12 
524  H  HD13 . LEU   A 34  ? 0.1097 0.1150 0.1099 -0.0010 0.0072  -0.0072 34  LEU   A HD13 
525  H  HD21 . LEU   A 34  ? 0.1116 0.1238 0.1111 -0.0053 0.0046  -0.0065 34  LEU   A HD21 
526  H  HD22 . LEU   A 34  ? 0.1076 0.1213 0.1099 -0.0021 -0.0015 -0.0061 34  LEU   A HD22 
527  H  HD23 . LEU   A 34  ? 0.1062 0.1186 0.1122 0.0000  0.0042  -0.0034 34  LEU   A HD23 
528  N  N    . ILE   A 35  ? 0.1092 0.1134 0.1113 0.0041  0.0136  0.0010  35  ILE   A N    
529  C  CA   . ILE   A 35  ? 0.1246 0.1150 0.1330 0.0055  0.0056  -0.0027 35  ILE   A CA   
530  C  C    . ILE   A 35  ? 0.1197 0.1206 0.1428 0.0039  0.0133  -0.0104 35  ILE   A C    
531  O  O    . ILE   A 35  ? 0.1456 0.1435 0.1774 0.0203  0.0285  -0.0242 35  ILE   A O    
532  C  CB   . ILE   A 35  ? 0.1412 0.1214 0.1530 0.0024  0.0124  0.0061  35  ILE   A CB   
533  C  CG1  . ILE   A 35  ? 0.1307 0.1376 0.1589 0.0036  0.0157  0.0061  35  ILE   A CG1  
534  C  CG2  . ILE   A 35  ? 0.1498 0.1337 0.1576 -0.0076 -0.0070 -0.0079 35  ILE   A CG2  
535  C  CD1  . ILE   A 35  ? 0.1598 0.1481 0.1650 0.0148  0.0170  0.0217  35  ILE   A CD1  
536  H  H    . ILE   A 35  ? 0.1106 0.1146 0.1138 0.0040  0.0099  -0.0036 35  ILE   A H    
537  H  HA   . ILE   A 35  ? 0.1254 0.1202 0.1319 0.0032  0.0065  -0.0019 35  ILE   A HA   
538  H  HB   . ILE   A 35  ? 0.1352 0.1307 0.1457 0.0039  0.0077  -0.0010 35  ILE   A HB   
539  H  HG12 . ILE   A 35  ? 0.1384 0.1364 0.1528 0.0041  0.0128  0.0051  35  ILE   A HG12 
540  H  HG13 . ILE   A 35  ? 0.1358 0.1366 0.1544 0.0002  0.0077  0.0062  35  ILE   A HG13 
541  H  HG21 . ILE   A 35  ? 0.1458 0.1360 0.1512 -0.0021 0.0018  0.0010  35  ILE   A HG21 
542  H  HG22 . ILE   A 35  ? 0.1469 0.1418 0.1511 -0.0006 -0.0005 -0.0004 35  ILE   A HG22 
543  H  HG23 . ILE   A 35  ? 0.1432 0.1406 0.1486 -0.0001 -0.0004 -0.0018 35  ILE   A HG23 
544  H  HD11 . ILE   A 35  ? 0.1518 0.1501 0.1592 0.0037  0.0138  0.0099  35  ILE   A HD11 
545  H  HD12 . ILE   A 35  ? 0.1537 0.1465 0.1664 0.0079  0.0144  0.0122  35  ILE   A HD12 
546  H  HD13 . ILE   A 35  ? 0.1603 0.1469 0.1602 0.0092  0.0128  0.0117  35  ILE   A HD13 
547  N  N    . ARG   A 36  ? 0.1193 0.1264 0.1345 0.0021  0.0240  -0.0177 36  ARG   A N    
548  C  CA   . ARG   A 36  ? 0.1200 0.1356 0.1416 0.0091  0.0177  -0.0007 36  ARG   A CA   
549  C  C    . ARG   A 36  ? 0.1017 0.1356 0.1204 0.0003  0.0068  -0.0149 36  ARG   A C    
550  O  O    . ARG   A 36  ? 0.1048 0.1142 0.1113 0.0072  0.0022  -0.0056 36  ARG   A O    
551  C  CB   . ARG   A 36  ? 0.1554 0.1924 0.1610 0.0081  0.0124  0.0201  36  ARG   A CB   
552  C  CG   . ARG   A 36  ? 0.1985 0.2010 0.2205 -0.0024 0.0035  0.0080  36  ARG   A CG   
553  C  CD   . ARG   A 36  ? 0.2388 0.2446 0.2564 0.0047  0.0375  0.0070  36  ARG   A CD   
554  N  NE   . ARG   A 36  ? 0.3009 0.2522 0.3448 0.0329  0.0093  0.0400  36  ARG   A NE   
555  C  CZ   . ARG   A 36  ? 0.3366 0.2745 0.3494 0.0047  -0.0019 0.0253  36  ARG   A CZ   
556  N  NH1  . ARG   A 36  ? 0.3553 0.2996 0.3841 0.0224  -0.0442 -0.0084 36  ARG   A NH1  
557  N  NH2  . ARG   A 36  ? 0.3709 0.2634 0.4373 0.0250  -0.0119 0.0070  36  ARG   A NH2  
558  H  H    . ARG   A 36  ? 0.1336 0.1124 0.1176 0.0151  0.0161  -0.0124 36  ARG   A H    
559  H  HA   . ARG   A 36  ? 0.1314 0.1453 0.1346 0.0071  0.0113  -0.0023 36  ARG   A HA   
560  H  HB2  . ARG   A 36  ? 0.1560 0.1715 0.1683 0.0013  0.0061  0.0088  36  ARG   A HB2  
561  H  HB3  . ARG   A 36  ? 0.1612 0.1751 0.1702 -0.0009 0.0088  0.0076  36  ARG   A HB3  
562  H  HG2  . ARG   A 36  ? 0.1954 0.1964 0.1984 0.0006  0.0087  0.0051  36  ARG   A HG2  
563  H  HG3  . ARG   A 36  ? 0.1992 0.2069 0.2073 -0.0033 0.0124  0.0034  36  ARG   A HG3  
564  H  HD2  . ARG   A 36  ? 0.2398 0.2300 0.2518 0.0079  0.0184  0.0084  36  ARG   A HD2  
565  H  HD3  . ARG   A 36  ? 0.2351 0.2261 0.2557 0.0019  0.0239  0.0006  36  ARG   A HD3  
566  H  HE   . ARG   A 36  ? 0.2801 0.2710 0.3080 0.0082  0.0098  0.0236  36  ARG   A HE   
567  H  HH11 . ARG   A 36  ? 0.3274 0.3045 0.3484 0.0107  -0.0179 0.0010  36  ARG   A HH11 
568  H  HH12 . ARG   A 36  ? 0.3255 0.3150 0.3685 0.0087  -0.0094 0.0109  36  ARG   A HH12 
569  H  HH21 . ARG   A 36  ? 0.3341 0.3399 0.3948 0.0003  0.0057  0.0092  36  ARG   A HH21 
570  H  HH22 . ARG   A 36  ? 0.3364 0.3237 0.4415 0.0032  0.0034  0.0130  36  ARG   A HH22 
571  N  N    . ARG   A 37  ? 0.1092 0.1280 0.1222 -0.0020 0.0205  -0.0178 37  ARG   A N    
572  C  CA   . ARG   A 37  ? 0.1026 0.1269 0.1178 -0.0047 0.0091  -0.0042 37  ARG   A CA   
573  C  C    . ARG   A 37  ? 0.1162 0.1270 0.1186 -0.0067 0.0117  -0.0034 37  ARG   A C    
574  O  O    . ARG   A 37  ? 0.1158 0.1295 0.1277 0.0031  0.0159  -0.0060 37  ARG   A O    
575  C  CB   . ARG   A 37  ? 0.0977 0.1275 0.1251 -0.0050 0.0073  -0.0108 37  ARG   A CB   
576  C  CG   . ARG   A 37  ? 0.1080 0.1368 0.1245 -0.0110 0.0137  -0.0056 37  ARG   A CG   
577  C  CD   . ARG   A 37  ? 0.1115 0.1375 0.1322 -0.0064 0.0187  -0.0036 37  ARG   A CD   
578  N  NE   . ARG   A 37  ? 0.0988 0.1252 0.1292 0.0066  0.0073  -0.0159 37  ARG   A NE   
579  C  CZ   . ARG   A 37  ? 0.1082 0.1258 0.1228 0.0046  0.0095  -0.0099 37  ARG   A CZ   
580  N  NH1  . ARG   A 37  ? 0.1174 0.1320 0.1369 0.0103  0.0207  -0.0129 37  ARG   A NH1  
581  N  NH2  . ARG   A 37  ? 0.1132 0.1285 0.1429 0.0139  0.0198  -0.0100 37  ARG   A NH2  
582  H  H    . ARG   A 37  ? 0.1140 0.1216 0.1212 0.0034  0.0096  -0.0103 37  ARG   A H    
583  H  HA   . ARG   A 37  ? 0.1150 0.1257 0.1210 -0.0030 0.0027  -0.0031 37  ARG   A HA   
584  H  HB2  . ARG   A 37  ? 0.1155 0.1261 0.1241 -0.0033 0.0030  -0.0032 37  ARG   A HB2  
585  H  HB3  . ARG   A 37  ? 0.1096 0.1227 0.1244 -0.0024 0.0065  -0.0040 37  ARG   A HB3  
586  H  HG2  . ARG   A 37  ? 0.1214 0.1347 0.1321 -0.0064 0.0083  -0.0019 37  ARG   A HG2  
587  H  HG3  . ARG   A 37  ? 0.1128 0.1292 0.1272 -0.0021 0.0112  -0.0016 37  ARG   A HG3  
588  H  HD2  . ARG   A 37  ? 0.1142 0.1335 0.1274 -0.0034 0.0103  0.0003  37  ARG   A HD2  
589  H  HD3  . ARG   A 37  ? 0.1241 0.1365 0.1331 -0.0066 0.0088  -0.0023 37  ARG   A HD3  
590  H  HE   . ARG   A 37  ? 0.1076 0.1151 0.1289 0.0070  0.0090  -0.0088 37  ARG   A HE   
591  H  HH11 . ARG   A 37  ? 0.1189 0.1313 0.1306 0.0074  0.0128  -0.0067 37  ARG   A HH11 
592  H  HH12 . ARG   A 37  ? 0.1213 0.1278 0.1300 0.0010  0.0104  -0.0093 37  ARG   A HH12 
593  H  HH21 . ARG   A 37  ? 0.1075 0.1107 0.1439 0.0135  0.0143  -0.0095 37  ARG   A HH21 
594  H  HH22 . ARG   A 37  ? 0.1220 0.1216 0.1313 0.0002  0.0113  -0.0081 37  ARG   A HH22 
595  N  N    . ASN   A 38  ? 0.0913 0.1222 0.1185 0.0101  0.0122  -0.0092 38  ASN   A N    
596  C  CA   . ASN   A 38  ? 0.1154 0.1280 0.1139 0.0052  0.0079  -0.0124 38  ASN   A CA   
597  C  C    . ASN   A 38  ? 0.1167 0.1178 0.1136 0.0065  0.0021  -0.0097 38  ASN   A C    
598  O  O    . ASN   A 38  ? 0.1011 0.1271 0.1130 0.0210  0.0003  -0.0079 38  ASN   A O    
599  C  CB   . ASN   A 38  ? 0.1318 0.1592 0.1197 0.0022  0.0000  -0.0146 38  ASN   A CB   
600  C  CG   . ASN   A 38  ? 0.1305 0.1633 0.1492 -0.0001 0.0113  -0.0014 38  ASN   A CG   
601  O  OD1  . ASN   A 38  ? 0.1372 0.1687 0.1778 0.0226  -0.0121 -0.0051 38  ASN   A OD1  
602  N  ND2  . ASN   A 38  ? 0.1459 0.1972 0.1831 0.0195  -0.0147 0.0032  38  ASN   A ND2  
603  H  H    . ASN   A 38  ? 0.1061 0.1169 0.1188 0.0034  0.0098  -0.0078 38  ASN   A H    
604  H  HA   . ASN   A 38  ? 0.1164 0.1254 0.1170 0.0009  0.0060  -0.0095 38  ASN   A HA   
605  H  HB2  . ASN   A 38  ? 0.1286 0.1418 0.1252 0.0056  0.0044  -0.0090 38  ASN   A HB2  
606  H  HB3  . ASN   A 38  ? 0.1377 0.1478 0.1320 0.0038  0.0032  -0.0098 38  ASN   A HB3  
607  H  HD21 . ASN   A 38  ? 0.1517 0.1706 0.1713 0.0002  -0.0012 -0.0010 38  ASN   A HD21 
608  H  HD22 . ASN   A 38  ? 0.1469 0.1806 0.1734 0.0142  0.0000  0.0114  38  ASN   A HD22 
609  N  N    . PHE   A 39  ? 0.0940 0.1112 0.1161 0.0080  0.0117  -0.0006 39  PHE   A N    
610  C  CA   . PHE   A 39  ? 0.0975 0.1232 0.1113 0.0052  0.0155  -0.0048 39  PHE   A CA   
611  C  C    . PHE   A 39  ? 0.1067 0.1072 0.1101 0.0047  0.0082  -0.0090 39  PHE   A C    
612  O  O    . PHE   A 39  ? 0.1103 0.1243 0.1076 0.0137  0.0116  -0.0014 39  PHE   A O    
613  C  CB   . PHE   A 39  ? 0.1245 0.1334 0.1354 0.0146  0.0123  0.0037  39  PHE   A CB   
614  C  CG   . PHE   A 39  ? 0.1483 0.1473 0.1482 0.0200  0.0008  -0.0016 39  PHE   A CG   
615  C  CD1  . PHE   A 39  ? 0.1856 0.1641 0.1614 0.0046  0.0083  0.0066  39  PHE   A CD1  
616  C  CD2  . PHE   A 39  ? 0.1587 0.2057 0.1742 0.0275  -0.0206 0.0080  39  PHE   A CD2  
617  C  CE1  . PHE   A 39  ? 0.2386 0.1879 0.1839 -0.0035 -0.0089 0.0105  39  PHE   A CE1  
618  C  CE2  . PHE   A 39  ? 0.1930 0.1937 0.2037 0.0378  -0.0455 0.0044  39  PHE   A CE2  
619  C  CZ   . PHE   A 39  ? 0.2341 0.1767 0.1739 0.0113  -0.0495 0.0311  39  PHE   A CZ   
620  H  H    . PHE   A 39  ? 0.1026 0.1155 0.1149 0.0051  0.0077  -0.0012 39  PHE   A H    
621  H  HA   . PHE   A 39  ? 0.1075 0.1172 0.1118 0.0066  0.0098  -0.0039 39  PHE   A HA   
622  H  HB2  . PHE   A 39  ? 0.1279 0.1372 0.1296 0.0098  0.0083  0.0006  39  PHE   A HB2  
623  H  HB3  . PHE   A 39  ? 0.1338 0.1333 0.1308 0.0044  0.0091  0.0002  39  PHE   A HB3  
624  H  HD1  . PHE   A 39  ? 0.1791 0.1677 0.1642 -0.0046 0.0016  0.0047  39  PHE   A HD1  
625  H  HD2  . PHE   A 39  ? 0.1702 0.1806 0.1778 0.0218  -0.0116 0.0036  39  PHE   A HD2  
626  H  HE1  . PHE   A 39  ? 0.2119 0.1805 0.1909 0.0005  -0.0085 0.0119  39  PHE   A HE1  
627  H  HE2  . PHE   A 39  ? 0.1864 0.1916 0.1885 0.0192  -0.0329 0.0092  39  PHE   A HE2  
628  H  HZ   . PHE   A 39  ? 0.1808 0.1877 0.1560 0.0167  -0.0258 0.0135  39  PHE   A HZ   
629  N  N    . VAL   A 40  ? 0.1016 0.1183 0.1018 0.0082  0.0086  -0.0029 40  VAL   A N    
630  C  CA   . VAL   A 40  ? 0.0966 0.1083 0.0896 0.0021  0.0104  -0.0016 40  VAL   A CA   
631  C  C    . VAL   A 40  ? 0.0946 0.1024 0.1097 0.0062  0.0052  0.0006  40  VAL   A C    
632  O  O    . VAL   A 40  ? 0.1084 0.1195 0.1113 -0.0038 0.0020  -0.0071 40  VAL   A O    
633  C  CB   . VAL   A 40  ? 0.0908 0.1077 0.1031 -0.0050 0.0082  -0.0103 40  VAL   A CB   
634  C  CG1  . VAL   A 40  ? 0.0970 0.1139 0.1178 0.0022  -0.0055 0.0004  40  VAL   A CG1  
635  C  CG2  . VAL   A 40  ? 0.1220 0.1183 0.1140 -0.0114 0.0129  0.0021  40  VAL   A CG2  
636  H  H    . VAL   A 40  ? 0.1030 0.1110 0.1056 0.0035  0.0069  -0.0052 40  VAL   A H    
637  H  HA   . VAL   A 40  ? 0.0984 0.1070 0.0949 0.0020  0.0074  -0.0080 40  VAL   A HA   
638  H  HB   . VAL   A 40  ? 0.1007 0.1097 0.1019 -0.0035 0.0045  -0.0053 40  VAL   A HB   
639  H  HG11 . VAL   A 40  ? 0.1050 0.1137 0.1140 0.0020  -0.0021 -0.0011 40  VAL   A HG11 
640  H  HG12 . VAL   A 40  ? 0.1019 0.1123 0.1131 -0.0005 -0.0013 -0.0008 40  VAL   A HG12 
641  H  HG13 . VAL   A 40  ? 0.1007 0.1130 0.1145 0.0007  -0.0008 0.0018  40  VAL   A HG13 
642  H  HG21 . VAL   A 40  ? 0.1129 0.1151 0.1144 -0.0071 0.0092  0.0008  40  VAL   A HG21 
643  H  HG22 . VAL   A 40  ? 0.1144 0.1190 0.1112 -0.0086 0.0076  0.0020  40  VAL   A HG22 
644  H  HG23 . VAL   A 40  ? 0.1207 0.1147 0.1122 -0.0075 0.0117  -0.0004 40  VAL   A HG23 
645  N  N    . LEU   A 41  ? 0.0947 0.1105 0.1052 -0.0019 0.0087  -0.0007 41  LEU   A N    
646  C  CA   . LEU   A 41  ? 0.1063 0.1062 0.1073 0.0018  0.0148  0.0085  41  LEU   A CA   
647  C  C    . LEU   A 41  ? 0.0945 0.1069 0.1018 -0.0109 0.0004  0.0139  41  LEU   A C    
648  O  O    . LEU   A 41  ? 0.0977 0.1128 0.1110 -0.0050 0.0093  0.0206  41  LEU   A O    
649  C  CB   . LEU   A 41  ? 0.1268 0.1206 0.1192 -0.0099 -0.0016 -0.0012 41  LEU   A CB   
650  C  CG   . LEU   A 41  ? 0.1402 0.1262 0.1515 -0.0075 0.0119  0.0019  41  LEU   A CG   
651  C  CD1  . LEU   A 41  ? 0.1495 0.1178 0.1449 -0.0051 0.0232  0.0053  41  LEU   A CD1  
652  C  CD2  . LEU   A 41  ? 0.1680 0.1214 0.1556 0.0012  0.0059  -0.0019 41  LEU   A CD2  
653  H  H    . LEU   A 41  ? 0.1000 0.1081 0.1057 0.0000  0.0074  0.0011  41  LEU   A H    
654  H  HA   . LEU   A 41  ? 0.1074 0.1102 0.1094 -0.0021 0.0059  0.0055  41  LEU   A HA   
655  H  HB2  . LEU   A 41  ? 0.1272 0.1214 0.1244 -0.0073 0.0015  0.0022  41  LEU   A HB2  
656  H  HB3  . LEU   A 41  ? 0.1223 0.1188 0.1207 -0.0048 0.0027  0.0027  41  LEU   A HB3  
657  H  HG   . LEU   A 41  ? 0.1393 0.1254 0.1415 -0.0070 0.0089  0.0007  41  LEU   A HG   
658  H  HD11 . LEU   A 41  ? 0.1360 0.1279 0.1338 -0.0023 0.0128  0.0035  41  LEU   A HD11 
659  H  HD12 . LEU   A 41  ? 0.1345 0.1253 0.1406 -0.0072 0.0140  0.0049  41  LEU   A HD12 
660  H  HD13 . LEU   A 41  ? 0.1463 0.1266 0.1413 -0.0090 0.0162  0.0031  41  LEU   A HD13 
661  H  HD21 . LEU   A 41  ? 0.1558 0.1329 0.1481 -0.0113 0.0077  -0.0020 41  LEU   A HD21 
662  H  HD22 . LEU   A 41  ? 0.1487 0.1369 0.1491 -0.0013 0.0054  -0.0023 41  LEU   A HD22 
663  H  HD23 . LEU   A 41  ? 0.1533 0.1334 0.1499 -0.0047 0.0073  -0.0040 41  LEU   A HD23 
664  N  N    . THR   A 42  ? 0.0953 0.1063 0.1044 -0.0009 0.0026  0.0098  42  THR   A N    
665  C  CA   . THR   A 42  ? 0.0954 0.1026 0.0956 -0.0057 0.0093  -0.0001 42  THR   A CA   
666  C  C    . THR   A 42  ? 0.0966 0.0972 0.0854 -0.0108 -0.0045 -0.0006 42  THR   A C    
667  O  O    . THR   A 42  ? 0.1049 0.1092 0.1046 -0.0007 0.0017  0.0074  42  THR   A O    
668  C  CB   . THR   A 42  ? 0.1072 0.1001 0.0953 -0.0011 -0.0031 0.0045  42  THR   A CB   
669  O  OG1  . THR   A 42  ? 0.0971 0.0978 0.0992 -0.0075 0.0065  0.0006  42  THR   A OG1  
670  C  CG2  . THR   A 42  ? 0.0987 0.1084 0.1017 -0.0178 -0.0122 0.0095  42  THR   A CG2  
671  H  H    . THR   A 42  ? 0.0975 0.1016 0.0999 -0.0010 0.0036  0.0048  42  THR   A H    
672  H  HA   . THR   A 42  ? 0.1008 0.1019 0.1014 -0.0040 0.0021  0.0031  42  THR   A HA   
673  H  HB   . THR   A 42  ? 0.1015 0.1015 0.0995 -0.0025 -0.0021 0.0025  42  THR   A HB   
674  H  HG1  . THR   A 42  ? 0.0998 0.0998 0.0998 0.0000  0.0000  0.0000  42  THR   A HG1  
675  H  HG21 . THR   A 42  ? 0.1078 0.1080 0.1004 -0.0080 -0.0068 0.0063  42  THR   A HG21 
676  H  HG22 . THR   A 42  ? 0.1021 0.1048 0.1005 -0.0063 -0.0070 0.0062  42  THR   A HG22 
677  H  HG23 . THR   A 42  ? 0.1012 0.1046 0.1000 -0.0059 -0.0052 0.0070  42  THR   A HG23 
678  N  N    . ALA   A 43  ? 0.1010 0.1065 0.0916 -0.0054 0.0039  0.0124  43  ALA   A N    
679  C  CA   . ALA   A 43  ? 0.0989 0.0956 0.0997 -0.0140 0.0054  0.0060  43  ALA   A CA   
680  C  C    . ALA   A 43  ? 0.1059 0.1026 0.1007 -0.0029 0.0014  0.0005  43  ALA   A C    
681  O  O    . ALA   A 43  ? 0.1188 0.1081 0.1025 -0.0156 -0.0044 0.0084  43  ALA   A O    
682  C  CB   . ALA   A 43  ? 0.1041 0.1090 0.0992 -0.0099 0.0046  0.0071  43  ALA   A CB   
683  H  H    . ALA   A 43  ? 0.1002 0.1014 0.0944 -0.0043 0.0027  0.0037  43  ALA   A H    
684  H  HA   . ALA   A 43  ? 0.1025 0.0973 0.0990 -0.0075 0.0030  0.0036  43  ALA   A HA   
685  H  HB1  . ALA   A 43  ? 0.1036 0.1046 0.1044 -0.0079 0.0013  0.0028  43  ALA   A HB1  
686  H  HB2  . ALA   A 43  ? 0.0998 0.1039 0.0980 -0.0086 0.0027  0.0048  43  ALA   A HB2  
687  H  HB3  . ALA   A 43  ? 0.1057 0.1084 0.1025 -0.0088 0.0017  0.0048  43  ALA   A HB3  
688  N  N    . ALA   A 44  ? 0.1132 0.1031 0.0965 -0.0174 -0.0056 -0.0028 44  ALA   A N    
689  C  CA   . ALA   A 44  ? 0.1004 0.1111 0.0984 -0.0092 -0.0131 -0.0030 44  ALA   A CA   
690  C  C    . ALA   A 44  ? 0.1097 0.0955 0.1073 -0.0117 -0.0070 0.0073  44  ALA   A C    
691  O  O    . ALA   A 44  ? 0.1184 0.1148 0.0972 -0.0159 -0.0024 0.0008  44  ALA   A O    
692  C  CB   . ALA   A 44  ? 0.1367 0.1177 0.1187 -0.0115 -0.0030 0.0082  44  ALA   A CB   
693  H  H    . ALA   A 44  ? 0.1085 0.0997 0.1011 -0.0088 -0.0042 -0.0027 44  ALA   A H    
694  H  HA   . ALA   A 44  ? 0.1009 0.1064 0.1038 -0.0087 -0.0085 0.0000  44  ALA   A HA   
695  H  HB1  . ALA   A 44  ? 0.1284 0.1266 0.1149 -0.0094 -0.0078 0.0062  44  ALA   A HB1  
696  H  HB2  . ALA   A 44  ? 0.1260 0.1236 0.1198 -0.0070 -0.0054 0.0041  44  ALA   A HB2  
697  H  HB3  . ALA   A 44  ? 0.1215 0.1199 0.1140 -0.0004 -0.0027 0.0049  44  ALA   A HB3  
698  N  N    . HIS   A 45  ? 0.1027 0.1162 0.1119 -0.0083 -0.0001 -0.0014 45  HIS   A N    
699  C  CA   . HIS   A 45  ? 0.1204 0.1154 0.1253 -0.0051 -0.0047 -0.0089 45  HIS   A CA   
700  C  C    . HIS   A 45  ? 0.1194 0.1187 0.1227 -0.0039 -0.0024 -0.0029 45  HIS   A C    
701  O  O    . HIS   A 45  ? 0.1270 0.1219 0.1431 -0.0057 -0.0048 -0.0167 45  HIS   A O    
702  C  CB   . HIS   A 45  ? 0.1208 0.1277 0.1161 -0.0068 0.0057  -0.0087 45  HIS   A CB   
703  C  CG   . HIS   A 45  ? 0.1002 0.1181 0.1181 -0.0176 0.0028  -0.0096 45  HIS   A CG   
704  N  ND1  . HIS   A 45  ? 0.1198 0.1130 0.1202 -0.0141 -0.0026 -0.0040 45  HIS   A ND1  
705  C  CD2  . HIS   A 45  ? 0.1162 0.1271 0.1241 0.0018  0.0064  -0.0154 45  HIS   A CD2  
706  C  CE1  . HIS   A 45  ? 0.1259 0.1189 0.1156 -0.0161 0.0056  0.0000  45  HIS   A CE1  
707  N  NE2  . HIS   A 45  ? 0.1479 0.1258 0.1340 -0.0003 -0.0150 0.0004  45  HIS   A NE2  
708  H  H    . HIS   A 45  ? 0.1095 0.1103 0.1112 -0.0050 -0.0015 -0.0002 45  HIS   A H    
709  H  HA   . HIS   A 45  ? 0.1166 0.1173 0.1229 -0.0052 0.0001  -0.0052 45  HIS   A HA   
710  H  HB2  . HIS   A 45  ? 0.1152 0.1197 0.1164 -0.0016 0.0006  -0.0047 45  HIS   A HB2  
711  H  HB3  . HIS   A 45  ? 0.1200 0.1250 0.1216 -0.0025 0.0024  -0.0058 45  HIS   A HB3  
712  H  HD1  . HIS   A 45  ? 0.1140 0.1160 0.1176 -0.0090 0.0007  -0.0037 45  HIS   A HD1  
713  H  HD2  . HIS   A 45  ? 0.1181 0.1175 0.1190 -0.0023 0.0000  -0.0051 45  HIS   A HD2  
714  H  HE1  . HIS   A 45  ? 0.1249 0.1197 0.1176 -0.0088 0.0008  -0.0011 45  HIS   A HE1  
715  H  HE2  . HIS   A 45  ? 0.1312 0.1233 0.1243 -0.0012 -0.0046 -0.0019 45  HIS   A HE2  
716  N  N    . CYS   A 46  ? 0.1216 0.1159 0.1075 -0.0037 -0.0077 -0.0043 46  CYS   A N    
717  C  CA   . CYS   A 46  ? 0.1380 0.1221 0.1225 -0.0068 -0.0048 -0.0055 46  CYS   A CA   
718  C  C    . CYS   A 46  ? 0.1349 0.1304 0.1280 -0.0097 -0.0079 0.0053  46  CYS   A C    
719  O  O    . CYS   A 46  ? 0.1650 0.1271 0.1305 -0.0198 -0.0127 0.0046  46  CYS   A O    
720  C  CB   . CYS   A 46  ? 0.1327 0.1218 0.1224 -0.0105 -0.0095 0.0053  46  CYS   A CB   
721  S  SG   . CYS   A 46  ? 0.1609 0.1418 0.1283 -0.0231 -0.0272 0.0047  46  CYS   A SG   
722  H  H    . CYS   A 46  ? 0.1215 0.1177 0.1155 -0.0009 -0.0037 -0.0032 46  CYS   A H    
723  H  HA   . CYS   A 46  ? 0.1329 0.1290 0.1223 -0.0045 -0.0055 -0.0015 46  CYS   A HA   
724  H  HB2  . CYS   A 46  ? 0.1340 0.1295 0.1238 -0.0055 -0.0093 0.0023  46  CYS   A HB2  
725  H  HB3  . CYS   A 46  ? 0.1345 0.1217 0.1246 -0.0084 -0.0083 0.0052  46  CYS   A HB3  
726  H  HG   . CYS   A 46  ? 0.1396 0.1372 0.1254 -0.0057 -0.0141 0.0057  46  CYS   A HG   
727  N  N    . ALA   A 47  ? 0.1229 0.1160 0.1121 -0.0117 -0.0095 -0.0096 47  ALA   A N    
728  C  CA   . ALA   A 47  ? 0.1142 0.1249 0.1255 -0.0129 -0.0078 -0.0067 47  ALA   A CA   
729  C  C    . ALA   A 47  ? 0.1361 0.1328 0.1127 -0.0008 -0.0021 0.0001  47  ALA   A C    
730  O  O    . ALA   A 47  ? 0.1367 0.1482 0.1258 -0.0141 -0.0112 -0.0234 47  ALA   A O    
731  C  CB   . ALA   A 47  ? 0.1359 0.1363 0.1287 -0.0159 -0.0118 0.0004  47  ALA   A CB   
732  H  H    . ALA   A 47  ? 0.1200 0.1187 0.1190 -0.0062 -0.0049 0.0000  47  ALA   A H    
733  H  HA   . ALA   A 47  ? 0.1227 0.1269 0.1224 -0.0072 -0.0007 -0.0025 47  ALA   A HA   
734  H  HB1  . ALA   A 47  ? 0.1312 0.1365 0.1337 -0.0091 -0.0070 0.0013  47  ALA   A HB1  
735  H  HB2  . ALA   A 47  ? 0.1267 0.1377 0.1278 -0.0101 -0.0062 0.0001  47  ALA   A HB2  
736  H  HB3  . ALA   A 47  ? 0.1357 0.1362 0.1351 -0.0072 -0.0054 -0.0012 47  ALA   A HB3  
737  N  N    . GLY   A 48  ? 0.1328 0.1292 0.1184 -0.0036 -0.0027 -0.0019 48  GLY   A N    
738  C  CA   . GLY   A 48  ? 0.1406 0.1418 0.1511 -0.0065 -0.0077 -0.0170 48  GLY   A CA   
739  C  C    . GLY   A 48  ? 0.1288 0.1221 0.1152 -0.0034 -0.0008 0.0038  48  GLY   A C    
740  O  O    . GLY   A 48  ? 0.1390 0.1378 0.1377 -0.0048 -0.0174 -0.0196 48  GLY   A O    
741  H  H    . GLY   A 48  ? 0.1303 0.1312 0.1251 -0.0049 -0.0042 -0.0022 48  GLY   A H    
742  H  HA2  . GLY   A 48  ? 0.1441 0.1360 0.1433 -0.0008 -0.0063 -0.0070 48  GLY   A HA2  
743  H  HA3  . GLY   A 48  ? 0.1382 0.1451 0.1453 -0.0077 -0.0013 -0.0098 48  GLY   A HA3  
744  N  N    . ARG   A 49  ? 0.1224 0.1412 0.1126 -0.0017 -0.0024 -0.0175 49  ARG   A N    
745  C  CA   . ARG   A 49  ? 0.1232 0.1363 0.1225 0.0001  -0.0127 -0.0107 49  ARG   A CA   
746  C  C    . ARG   A 49  ? 0.1434 0.1405 0.1272 -0.0039 -0.0028 -0.0137 49  ARG   A C    
747  O  O    . ARG   A 49  ? 0.1483 0.1871 0.1198 0.0082  0.0044  -0.0177 49  ARG   A O    
748  C  CB   . ARG   A 49  ? 0.1282 0.1430 0.1198 -0.0050 -0.0059 -0.0200 49  ARG   A CB   
749  C  CG   . ARG   A 49  ? 0.1304 0.1659 0.1300 -0.0125 -0.0086 -0.0230 49  ARG   A CG   
750  C  CD   . ARG   A 49  ? 0.1482 0.1545 0.1522 -0.0129 -0.0019 -0.0131 49  ARG   A CD   
751  N  NE   . ARG   A 49  ? 0.1562 0.1782 0.1631 -0.0250 -0.0088 -0.0140 49  ARG   A NE   
752  C  CZ   . ARG   A 49  ? 0.1610 0.1785 0.1725 -0.0058 -0.0082 -0.0077 49  ARG   A CZ   
753  N  NH1  . ARG   A 49  ? 0.1533 0.1760 0.1614 -0.0356 -0.0002 0.0099  49  ARG   A NH1  
754  N  NH2  . ARG   A 49  ? 0.1681 0.1775 0.2044 -0.0123 -0.0094 -0.0322 49  ARG   A NH2  
755  H  H    . ARG   A 49  ? 0.1294 0.1336 0.1202 -0.0007 -0.0036 -0.0092 49  ARG   A H    
756  H  HA   . ARG   A 49  ? 0.1302 0.1356 0.1293 -0.0011 -0.0082 -0.0052 49  ARG   A HA   
757  H  HB2  . ARG   A 49  ? 0.1332 0.1435 0.1312 -0.0027 0.0003  -0.0116 49  ARG   A HB2  
758  H  HB3  . ARG   A 49  ? 0.1307 0.1440 0.1352 -0.0054 -0.0068 -0.0099 49  ARG   A HB3  
759  H  HG2  . ARG   A 49  ? 0.1373 0.1482 0.1382 -0.0040 -0.0078 -0.0081 49  ARG   A HG2  
760  H  HG3  . ARG   A 49  ? 0.1421 0.1530 0.1398 -0.0036 0.0008  -0.0116 49  ARG   A HG3  
761  H  HD2  . ARG   A 49  ? 0.1465 0.1532 0.1489 -0.0055 -0.0051 -0.0066 49  ARG   A HD2  
762  H  HD3  . ARG   A 49  ? 0.1510 0.1589 0.1521 -0.0075 0.0010  -0.0096 49  ARG   A HD3  
763  H  HE   . ARG   A 49  ? 0.1576 0.1700 0.1610 -0.0131 -0.0081 -0.0068 49  ARG   A HE   
764  H  HH11 . ARG   A 49  ? 0.1499 0.1707 0.1553 -0.0157 -0.0083 -0.0007 49  ARG   A HH11 
765  H  HH12 . ARG   A 49  ? 0.1555 0.1714 0.1593 -0.0208 0.0045  0.0040  49  ARG   A HH12 
766  H  HH21 . ARG   A 49  ? 0.1700 0.1795 0.1796 -0.0101 -0.0127 -0.0075 49  ARG   A HH21 
767  H  HH22 . ARG   A 49  ? 0.1739 0.1773 0.1858 -0.0082 -0.0049 -0.0163 49  ARG   A HH22 
768  N  N    . SER   A 50  ? 0.1317 0.1520 0.1240 -0.0208 -0.0122 -0.0170 50  SER   A N    
769  C  CA   . SER   A 50  ? 0.1458 0.1962 0.1301 -0.0136 -0.0121 0.0051  50  SER   A CA   
770  C  C    . SER   A 50  ? 0.1416 0.1640 0.1248 0.0027  -0.0068 -0.0127 50  SER   A C    
771  O  O    . SER   A 50  ? 0.1545 0.2025 0.1173 0.0015  -0.0120 -0.0281 50  SER   A O    
772  C  CB   . SER   A 50  ? 0.2099 0.1969 0.1535 -0.0290 0.0019  0.0213  50  SER   A CB   
773  O  OG   . SER   A 50  ? 0.2264 0.1887 0.1903 -0.0354 -0.0235 -0.0235 50  SER   A OG   
774  H  H    . SER   A 50  ? 0.1390 0.1513 0.1284 -0.0052 -0.0063 -0.0107 50  SER   A H    
775  H  HA   . SER   A 50  ? 0.1636 0.1753 0.1343 -0.0135 -0.0068 -0.0028 50  SER   A HA   
776  H  HB2  . SER   A 50  ? 0.1783 0.1887 0.1678 -0.0189 -0.0025 0.0060  50  SER   A HB2  
777  H  HB3  . SER   A 50  ? 0.1781 0.1858 0.1663 -0.0171 -0.0039 0.0039  50  SER   A HB3  
778  H  HG   . SER   A 50  ? 0.1873 0.1873 0.1873 0.0000  0.0000  0.0000  50  SER   A HG   
779  N  N    . ILE   A 51  ? 0.1218 0.1621 0.1137 -0.0121 -0.0146 -0.0079 51  ILE   A N    
780  C  CA   . ILE   A 51  ? 0.1269 0.1354 0.1140 -0.0105 -0.0132 -0.0039 51  ILE   A CA   
781  C  C    . ILE   A 51  ? 0.1506 0.1203 0.1261 -0.0066 0.0007  -0.0088 51  ILE   A C    
782  O  O    . ILE   A 51  ? 0.1548 0.1506 0.1188 -0.0148 0.0122  -0.0036 51  ILE   A O    
783  C  CB   . ILE   A 51  ? 0.1214 0.1290 0.1249 -0.0027 -0.0021 0.0019  51  ILE   A CB   
784  C  CG1  . ILE   A 51  ? 0.1345 0.1460 0.1224 -0.0116 0.0055  0.0008  51  ILE   A CG1  
785  C  CG2  . ILE   A 51  ? 0.1233 0.1138 0.1199 -0.0107 0.0053  -0.0071 51  ILE   A CG2  
786  C  CD1  . ILE   A 51  ? 0.1615 0.1474 0.1384 0.0071  0.0158  -0.0003 51  ILE   A CD1  
787  H  H    . ILE   A 51  ? 0.1284 0.1524 0.1206 0.0003  -0.0124 -0.0060 51  ILE   A H    
788  H  HA   . ILE   A 51  ? 0.1325 0.1376 0.1210 -0.0033 -0.0067 -0.0048 51  ILE   A HA   
789  H  HB   . ILE   A 51  ? 0.1252 0.1283 0.1225 -0.0003 -0.0025 -0.0001 51  ILE   A HB   
790  H  HG12 . ILE   A 51  ? 0.1393 0.1410 0.1281 -0.0056 0.0051  -0.0002 51  ILE   A HG12 
791  H  HG13 . ILE   A 51  ? 0.1354 0.1422 0.1284 -0.0048 -0.0013 -0.0018 51  ILE   A HG13 
792  H  HG21 . ILE   A 51  ? 0.1190 0.1210 0.1197 -0.0061 0.0052  -0.0030 51  ILE   A HG21 
793  H  HG22 . ILE   A 51  ? 0.1235 0.1146 0.1213 -0.0071 0.0029  -0.0074 51  ILE   A HG22 
794  H  HG23 . ILE   A 51  ? 0.1258 0.1213 0.1212 -0.0058 0.0037  -0.0048 51  ILE   A HG23 
795  H  HD11 . ILE   A 51  ? 0.1489 0.1473 0.1379 -0.0037 0.0081  -0.0004 51  ILE   A HD11 
796  H  HD12 . ILE   A 51  ? 0.1441 0.1432 0.1383 -0.0009 0.0049  -0.0024 51  ILE   A HD12 
797  H  HD13 . ILE   A 51  ? 0.1499 0.1434 0.1476 0.0011  0.0092  -0.0003 51  ILE   A HD13 
798  N  N    . THR   A 52  ? 0.1497 0.1253 0.1272 -0.0098 -0.0099 -0.0071 52  THR   A N    
799  C  CA   A THR   A 52  ? 0.1562 0.1530 0.1264 -0.0235 -0.0082 -0.0104 52  THR   A CA   
800  C  CA   B THR   A 52  ? 0.1559 0.1600 0.1265 -0.0252 -0.0083 -0.0128 52  THR   A CA   
801  C  C    . THR   A 52  ? 0.1246 0.1412 0.1134 -0.0076 -0.0126 -0.0019 52  THR   A C    
802  O  O    . THR   A 52  ? 0.1224 0.1904 0.1187 -0.0016 -0.0031 -0.0237 52  THR   A O    
803  C  CB   A THR   A 52  ? 0.1569 0.1620 0.1487 0.0010  0.0098  -0.0081 52  THR   A CB   
804  C  CB   B THR   A 52  ? 0.1991 0.1605 0.1409 -0.0245 0.0098  -0.0184 52  THR   A CB   
805  O  OG1  A THR   A 52  ? 0.2196 0.1735 0.1749 -0.0508 0.0092  -0.0281 52  THR   A OG1  
806  O  OG1  B THR   A 52  ? 0.2141 0.2253 0.2560 -0.0048 0.0219  0.0244  52  THR   A OG1  
807  C  CG2  A THR   A 52  ? 0.1769 0.1585 0.1654 -0.0255 0.0112  -0.0009 52  THR   A CG2  
808  C  CG2  B THR   A 52  ? 0.1432 0.1564 0.1504 -0.0227 0.0098  -0.0189 52  THR   A CG2  
809  H  H    . THR   A 52  ? 0.1459 0.1365 0.1285 -0.0115 -0.0056 -0.0083 52  THR   A H    
810  H  HA   A THR   A 52  ? 0.1525 0.1448 0.1301 -0.0135 0.0002  -0.0070 52  THR   A HA   
811  H  HA   B THR   A 52  ? 0.1548 0.1474 0.1289 -0.0164 -0.0004 -0.0097 52  THR   A HA   
812  H  HB   A THR   A 52  ? 0.1576 0.1597 0.1515 -0.0127 0.0030  -0.0086 52  THR   A HB   
813  H  HB   B THR   A 52  ? 0.1690 0.1686 0.1541 -0.0163 0.0082  -0.0091 52  THR   A HB   
814  H  HG1  A THR   A 52  ? 0.1675 0.1675 0.1675 0.0000  0.0000  0.0000  52  THR   A HG1  
815  H  HG1  B THR   A 52  ? 0.1825 0.1825 0.1825 0.0000  0.0000  0.0000  52  THR   A HG1  
816  H  HG21 A THR   A 52  ? 0.1684 0.1609 0.1636 -0.0114 0.0097  0.0000  52  THR   A HG21 
817  H  HG21 B THR   A 52  ? 0.1524 0.1581 0.1563 -0.0055 0.0076  -0.0123 52  THR   A HG21 
818  H  HG22 A THR   A 52  ? 0.1731 0.1578 0.1688 -0.0129 0.0077  -0.0025 52  THR   A HG22 
819  H  HG22 B THR   A 52  ? 0.1569 0.1585 0.1516 -0.0142 0.0082  -0.0136 52  THR   A HG22 
820  H  HG23 A THR   A 52  ? 0.1745 0.1668 0.1639 -0.0171 0.0137  -0.0037 52  THR   A HG23 
821  H  HG23 B THR   A 52  ? 0.1600 0.1585 0.1512 -0.0132 0.0103  -0.0115 52  THR   A HG23 
822  N  N    . VAL   A 53  ? 0.1127 0.1376 0.1048 -0.0240 -0.0148 0.0040  53  VAL   A N    
823  C  CA   . VAL   A 53  ? 0.1129 0.1220 0.1052 -0.0150 -0.0030 0.0044  53  VAL   A CA   
824  C  C    . VAL   A 53  ? 0.0992 0.1236 0.1090 -0.0178 -0.0065 0.0095  53  VAL   A C    
825  O  O    . VAL   A 53  ? 0.1034 0.1554 0.1245 -0.0341 -0.0049 0.0183  53  VAL   A O    
826  C  CB   . VAL   A 53  ? 0.1242 0.1350 0.1479 0.0008  0.0044  0.0122  53  VAL   A CB   
827  C  CG1  . VAL   A 53  ? 0.1537 0.1560 0.1547 0.0185  0.0119  0.0000  53  VAL   A CG1  
828  C  CG2  . VAL   A 53  ? 0.1538 0.1533 0.1510 0.0161  0.0105  0.0286  53  VAL   A CG2  
829  H  H    . VAL   A 53  ? 0.1126 0.1328 0.1131 -0.0179 -0.0137 0.0003  53  VAL   A H    
830  H  HA   . VAL   A 53  ? 0.1129 0.1233 0.1126 -0.0117 -0.0049 0.0034  53  VAL   A HA   
831  H  HB   . VAL   A 53  ? 0.1288 0.1369 0.1374 -0.0002 0.0001  0.0080  53  VAL   A HB   
832  H  HG11 . VAL   A 53  ? 0.1478 0.1498 0.1516 0.0084  0.0013  -0.0033 53  VAL   A HG11 
833  H  HG12 . VAL   A 53  ? 0.1454 0.1443 0.1495 0.0039  0.0066  0.0023  53  VAL   A HG12 
834  H  HG13 . VAL   A 53  ? 0.1538 0.1428 0.1479 0.0108  0.0104  0.0018  53  VAL   A HG13 
835  H  HG21 . VAL   A 53  ? 0.1548 0.1475 0.1501 0.0118  0.0101  0.0177  53  VAL   A HG21 
836  H  HG22 . VAL   A 53  ? 0.1421 0.1434 0.1491 0.0033  0.0075  0.0158  53  VAL   A HG22 
837  H  HG23 . VAL   A 53  ? 0.1426 0.1502 0.1579 0.0073  0.0065  0.0176  53  VAL   A HG23 
838  N  N    . THR   A 54  ? 0.0849 0.0959 0.0915 -0.0062 0.0076  0.0031  54  THR   A N    
839  C  CA   . THR   A 54  ? 0.0935 0.1004 0.0900 -0.0118 0.0067  -0.0006 54  THR   A CA   
840  C  C    . THR   A 54  ? 0.0943 0.0994 0.0833 -0.0146 0.0032  0.0022  54  THR   A C    
841  O  O    . THR   A 54  ? 0.0901 0.1033 0.0950 -0.0110 0.0056  -0.0056 54  THR   A O    
842  C  CB   . THR   A 54  ? 0.1006 0.1015 0.1044 -0.0041 0.0091  -0.0047 54  THR   A CB   
843  O  OG1  . THR   A 54  ? 0.1366 0.1127 0.1238 -0.0080 0.0126  -0.0196 54  THR   A OG1  
844  C  CG2  . THR   A 54  ? 0.1110 0.1058 0.1053 -0.0052 0.0021  -0.0011 54  THR   A CG2  
845  H  H    . THR   A 54  ? 0.0895 0.0992 0.0966 -0.0109 0.0046  0.0034  54  THR   A H    
846  H  HA   . THR   A 54  ? 0.0930 0.0984 0.0941 -0.0085 0.0035  -0.0001 54  THR   A HA   
847  H  HB   . THR   A 54  ? 0.1020 0.1036 0.1040 -0.0036 0.0052  -0.0053 54  THR   A HB   
848  H  HG1  . THR   A 54  ? 0.1195 0.1195 0.1195 0.0000  0.0000  0.0000  54  THR   A HG1  
849  H  HG21 . THR   A 54  ? 0.1069 0.1050 0.1052 -0.0031 0.0029  -0.0006 54  THR   A HG21 
850  H  HG22 . THR   A 54  ? 0.1116 0.1103 0.1106 -0.0016 0.0032  -0.0013 54  THR   A HG22 
851  H  HG23 . THR   A 54  ? 0.1069 0.1060 0.1059 -0.0007 0.0030  -0.0012 54  THR   A HG23 
852  N  N    . LEU   A 55  ? 0.0883 0.0955 0.0899 -0.0032 -0.0024 0.0025  55  LEU   A N    
853  C  CA   . LEU   A 55  ? 0.0945 0.0930 0.0992 -0.0075 0.0054  -0.0031 55  LEU   A CA   
854  C  C    . LEU   A 55  ? 0.0983 0.1053 0.0929 0.0013  0.0036  -0.0045 55  LEU   A C    
855  O  O    . LEU   A 55  ? 0.1057 0.1086 0.0852 -0.0103 0.0045  0.0035  55  LEU   A O    
856  C  CB   . LEU   A 55  ? 0.0999 0.1089 0.1084 -0.0031 0.0025  0.0041  55  LEU   A CB   
857  C  CG   . LEU   A 55  ? 0.1145 0.1169 0.1029 0.0098  0.0040  0.0013  55  LEU   A CG   
858  C  CD1  . LEU   A 55  ? 0.1186 0.1279 0.1260 0.0168  -0.0021 0.0022  55  LEU   A CD1  
859  C  CD2  . LEU   A 55  ? 0.1344 0.1333 0.1432 -0.0032 -0.0098 0.0123  55  LEU   A CD2  
860  H  H    . LEU   A 55  ? 0.0912 0.0958 0.0929 -0.0048 -0.0022 -0.0001 55  LEU   A H    
861  H  HA   . LEU   A 55  ? 0.0932 0.0957 0.0998 -0.0052 0.0005  -0.0016 55  LEU   A HA   
862  H  HB2  . LEU   A 55  ? 0.1030 0.1039 0.1055 -0.0022 0.0035  0.0016  55  LEU   A HB2  
863  H  HB3  . LEU   A 55  ? 0.1030 0.1092 0.1098 -0.0009 0.0032  0.0025  55  LEU   A HB3  
864  H  HG   . LEU   A 55  ? 0.1141 0.1131 0.1088 0.0052  0.0003  -0.0009 55  LEU   A HG   
865  H  HD11 . LEU   A 55  ? 0.1289 0.1312 0.1227 0.0075  -0.0004 0.0000  55  LEU   A HD11 
866  H  HD12 . LEU   A 55  ? 0.1190 0.1237 0.1218 0.0094  0.0002  -0.0007 55  LEU   A HD12 
867  H  HD13 . LEU   A 55  ? 0.1189 0.1257 0.1241 0.0096  -0.0002 0.0029  55  LEU   A HD13 
868  H  HD21 . LEU   A 55  ? 0.1272 0.1366 0.1382 0.0007  -0.0039 0.0104  55  LEU   A HD21 
869  H  HD22 . LEU   A 55  ? 0.1269 0.1274 0.1271 0.0003  -0.0028 0.0009  55  LEU   A HD22 
870  H  HD23 . LEU   A 55  ? 0.1327 0.1291 0.1254 -0.0057 -0.0056 0.0061  55  LEU   A HD23 
871  N  N    . GLY   A 56  ? 0.0956 0.0951 0.0917 -0.0088 0.0034  -0.0010 56  GLY   A N    
872  C  CA   . GLY   A 56  ? 0.1025 0.0997 0.0923 -0.0104 0.0085  0.0012  56  GLY   A CA   
873  C  C    . GLY   A 56  ? 0.1056 0.1022 0.1057 -0.0067 0.0077  0.0030  56  GLY   A C    
874  O  O    . GLY   A 56  ? 0.1067 0.1226 0.1110 -0.0021 0.0102  0.0151  56  GLY   A O    
875  H  H    . GLY   A 56  ? 0.0966 0.0935 0.0937 -0.0050 0.0031  -0.0025 56  GLY   A H    
876  H  HA2  . GLY   A 56  ? 0.1005 0.0975 0.0974 -0.0065 0.0051  -0.0002 56  GLY   A HA2  
877  H  HA3  . GLY   A 56  ? 0.0972 0.0972 0.0962 -0.0046 0.0048  0.0003  56  GLY   A HA3  
878  N  N    . ALA   A 57  ? 0.0995 0.0954 0.0952 -0.0043 0.0029  0.0048  57  ALA   A N    
879  C  CA   . ALA   A 57  ? 0.1049 0.1015 0.1031 0.0002  0.0030  -0.0006 57  ALA   A CA   
880  C  C    . ALA   A 57  ? 0.0938 0.1013 0.0955 -0.0073 0.0126  0.0046  57  ALA   A C    
881  O  O    . ALA   A 57  ? 0.1078 0.1078 0.0958 -0.0058 0.0084  0.0061  57  ALA   A O    
882  C  CB   . ALA   A 57  ? 0.1150 0.1151 0.1106 0.0066  0.0063  -0.0132 57  ALA   A CB   
883  H  H    . ALA   A 57  ? 0.1020 0.0946 0.0952 -0.0034 0.0033  0.0030  57  ALA   A H    
884  H  HA   . ALA   A 57  ? 0.1038 0.1026 0.1033 -0.0008 0.0042  -0.0005 57  ALA   A HA   
885  H  HB1  . ALA   A 57  ? 0.1127 0.1122 0.1112 0.0030  0.0050  -0.0065 57  ALA   A HB1  
886  H  HB2  . ALA   A 57  ? 0.1111 0.1108 0.1087 0.0005  0.0036  -0.0061 57  ALA   A HB2  
887  H  HB3  . ALA   A 57  ? 0.1121 0.1167 0.1102 0.0052  0.0034  -0.0085 57  ALA   A HB3  
888  N  N    . HIS   A 58  ? 0.0997 0.0979 0.1198 -0.0106 -0.0027 0.0069  58  HIS   A N    
889  C  CA   . HIS   A 58  ? 0.1097 0.1108 0.1165 -0.0037 -0.0044 0.0114  58  HIS   A CA   
890  C  C    . HIS   A 58  ? 0.1104 0.1124 0.1153 -0.0014 -0.0053 0.0084  58  HIS   A C    
891  O  O    . HIS   A 58  ? 0.1150 0.1177 0.1249 -0.0054 0.0002  0.0171  58  HIS   A O    
892  C  CB   . HIS   A 58  ? 0.1122 0.1264 0.1178 -0.0115 0.0029  0.0060  58  HIS   A CB   
893  C  CG   . HIS   A 58  ? 0.1218 0.1306 0.1137 -0.0073 -0.0068 0.0095  58  HIS   A CG   
894  N  ND1  . HIS   A 58  ? 0.1301 0.1232 0.1166 0.0052  -0.0044 0.0178  58  HIS   A ND1  
895  C  CD2  . HIS   A 58  ? 0.1308 0.1225 0.1206 -0.0146 -0.0083 0.0188  58  HIS   A CD2  
896  C  CE1  . HIS   A 58  ? 0.1245 0.1243 0.1320 -0.0126 -0.0146 -0.0059 58  HIS   A CE1  
897  N  NE2  . HIS   A 58  ? 0.1199 0.1356 0.1330 -0.0097 -0.0163 0.0055  58  HIS   A NE2  
898  H  H    . HIS   A 58  ? 0.0994 0.0987 0.1111 -0.0091 0.0003  0.0045  58  HIS   A H    
899  H  HA   . HIS   A 58  ? 0.1090 0.1111 0.1153 -0.0044 -0.0015 0.0075  58  HIS   A HA   
900  H  HB2  . HIS   A 58  ? 0.1199 0.1234 0.1184 -0.0044 -0.0014 0.0058  58  HIS   A HB2  
901  H  HB3  . HIS   A 58  ? 0.1172 0.1196 0.1180 -0.0033 -0.0014 0.0042  58  HIS   A HB3  
902  H  HD1  . HIS   A 58  ? 0.1223 0.1138 0.1177 0.0059  -0.0051 0.0074  58  HIS   A HD1  
903  H  HD2  . HIS   A 58  ? 0.1252 0.1183 0.1212 -0.0089 -0.0084 0.0103  58  HIS   A HD2  
904  H  HE1  . HIS   A 58  ? 0.1173 0.1163 0.1281 -0.0057 -0.0101 0.0013  58  HIS   A HE1  
905  H  HE2  . HIS   A 58  ? 0.1171 0.1305 0.1236 -0.0025 -0.0067 0.0030  58  HIS   A HE2  
906  N  N    . ASN   A 59  ? 0.1181 0.1172 0.1100 -0.0029 0.0044  0.0128  59  ASN   A N    
907  C  CA   . ASN   A 59  ? 0.1226 0.1120 0.1321 -0.0017 0.0014  0.0119  59  ASN   A CA   
908  C  C    . ASN   A 59  ? 0.1058 0.1190 0.1331 0.0051  0.0089  0.0064  59  ASN   A C    
909  O  O    . ASN   A 59  ? 0.1224 0.1190 0.1278 -0.0084 0.0036  0.0064  59  ASN   A O    
910  C  CB   . ASN   A 59  ? 0.1416 0.1312 0.1305 -0.0126 -0.0158 0.0201  59  ASN   A CB   
911  C  CG   . ASN   A 59  ? 0.1589 0.1446 0.1525 -0.0005 -0.0147 0.0126  59  ASN   A CG   
912  O  OD1  . ASN   A 59  ? 0.1568 0.1382 0.1591 0.0132  -0.0083 0.0138  59  ASN   A OD1  
913  N  ND2  . ASN   A 59  ? 0.1661 0.1629 0.1627 0.0204  -0.0115 0.0320  59  ASN   A ND2  
914  H  H    . ASN   A 59  ? 0.1109 0.1169 0.1101 -0.0064 0.0014  0.0097  59  ASN   A H    
915  H  HA   . ASN   A 59  ? 0.1223 0.1203 0.1278 -0.0034 0.0000  0.0097  59  ASN   A HA   
916  H  HB2  . ASN   A 59  ? 0.1403 0.1328 0.1339 -0.0049 -0.0120 0.0099  59  ASN   A HB2  
917  H  HB3  . ASN   A 59  ? 0.1334 0.1295 0.1348 -0.0046 -0.0087 0.0121  59  ASN   A HB3  
918  H  HD21 . ASN   A 59  ? 0.1611 0.1589 0.1611 0.0008  -0.0026 0.0133  59  ASN   A HD21 
919  H  HD22 . ASN   A 59  ? 0.1590 0.1548 0.1660 0.0063  -0.0095 0.0182  59  ASN   A HD22 
920  N  N    . ILE   A 60  ? 0.1357 0.1148 0.1247 -0.0078 0.0036  0.0092  60  ILE   A N    
921  C  CA   . ILE   A 60  ? 0.1250 0.1363 0.1274 -0.0057 0.0076  0.0090  60  ILE   A CA   
922  C  C    . ILE   A 60  ? 0.1295 0.1396 0.1258 -0.0063 0.0139  0.0079  60  ILE   A C    
923  O  O    . ILE   A 60  ? 0.1381 0.1509 0.1586 0.0100  -0.0022 -0.0129 60  ILE   A O    
924  C  CB   . ILE   A 60  ? 0.1517 0.1442 0.1427 -0.0203 0.0182  0.0117  60  ILE   A CB   
925  C  CG1  . ILE   A 60  ? 0.1442 0.1674 0.1486 0.0044  0.0209  -0.0096 60  ILE   A CG1  
926  C  CG2  . ILE   A 60  ? 0.1509 0.1753 0.1503 -0.0080 -0.0099 0.0170  60  ILE   A CG2  
927  C  CD1  . ILE   A 60  ? 0.1496 0.1639 0.1696 0.0138  0.0155  0.0093  60  ILE   A CD1  
928  H  H    . ILE   A 60  ? 0.1263 0.1250 0.1300 -0.0029 0.0040  0.0072  60  ILE   A H    
929  H  HA   . ILE   A 60  ? 0.1303 0.1339 0.1321 -0.0002 0.0100  0.0069  60  ILE   A HA   
930  H  HB   . ILE   A 60  ? 0.1439 0.1492 0.1447 -0.0089 0.0095  0.0054  60  ILE   A HB   
931  H  HG12 . ILE   A 60  ? 0.1493 0.1541 0.1528 0.0021  0.0113  -0.0073 60  ILE   A HG12 
932  H  HG13 . ILE   A 60  ? 0.1513 0.1551 0.1579 0.0014  0.0139  -0.0001 60  ILE   A HG13 
933  H  HG21 . ILE   A 60  ? 0.1451 0.1583 0.1462 -0.0075 -0.0040 0.0101  60  ILE   A HG21 
934  H  HG22 . ILE   A 60  ? 0.1506 0.1553 0.1512 -0.0049 -0.0044 0.0045  60  ILE   A HG22 
935  H  HG23 . ILE   A 60  ? 0.1497 0.1685 0.1577 -0.0098 -0.0016 0.0158  60  ILE   A HG23 
936  H  HD11 . ILE   A 60  ? 0.1519 0.1578 0.1595 0.0042  0.0066  -0.0025 60  ILE   A HD11 
937  H  HD12 . ILE   A 60  ? 0.1589 0.1670 0.1649 0.0062  0.0095  0.0022  60  ILE   A HD12 
938  H  HD13 . ILE   A 60  ? 0.1518 0.1657 0.1669 0.0091  0.0110  0.0070  60  ILE   A HD13 
939  N  N    . THR   A 61  ? 0.1340 0.1448 0.1458 0.0064  0.0054  0.0001  61  THR   A N    
940  C  CA   . THR   A 61  ? 0.1567 0.1493 0.1728 0.0076  -0.0009 -0.0064 61  THR   A CA   
941  C  C    . THR   A 61  ? 0.1634 0.1671 0.1908 -0.0072 0.0114  -0.0157 61  THR   A C    
942  O  O    . THR   A 61  ? 0.1876 0.1489 0.2411 -0.0030 0.0392  -0.0047 61  THR   A O    
943  C  CB   . THR   A 61  ? 0.1625 0.1565 0.1747 0.0158  0.0076  0.0049  61  THR   A CB   
944  O  OG1  . THR   A 61  ? 0.1720 0.1583 0.1818 0.0145  0.0027  0.0039  61  THR   A OG1  
945  C  CG2  . THR   A 61  ? 0.1797 0.1556 0.1953 0.0100  0.0110  0.0113  61  THR   A CG2  
946  H  H    . THR   A 61  ? 0.1426 0.1438 0.1475 0.0032  0.0019  0.0000  61  THR   A H    
947  H  HA   . THR   A 61  ? 0.1541 0.1539 0.1678 0.0053  0.0053  -0.0023 61  THR   A HA   
948  H  HB   . THR   A 61  ? 0.1678 0.1618 0.1762 0.0108  0.0050  -0.0006 61  THR   A HB   
949  H  HG1  . THR   A 61  ? 0.1704 0.1704 0.1704 0.0000  0.0000  0.0000  61  THR   A HG1  
950  H  HG21 . THR   A 61  ? 0.1744 0.1620 0.1866 0.0061  0.0152  0.0012  61  THR   A HG21 
951  H  HG22 . THR   A 61  ? 0.1711 0.1622 0.1819 0.0025  0.0073  0.0050  61  THR   A HG22 
952  H  HG23 . THR   A 61  ? 0.1710 0.1679 0.1798 0.0069  0.0079  0.0019  61  THR   A HG23 
953  N  N    . GLU   A 62  ? 0.1478 0.1448 0.1762 -0.0045 0.0100  0.0149  62  GLU   A N    
954  C  CA   A GLU   A 62  ? 0.1531 0.1554 0.1978 0.0007  0.0255  0.0139  62  GLU   A CA   
955  C  CA   B GLU   A 62  ? 0.1534 0.1595 0.2067 0.0026  0.0290  0.0168  62  GLU   A CA   
956  C  C    . GLU   A 62  ? 0.1588 0.1598 0.1617 0.0043  0.0174  0.0114  62  GLU   A C    
957  O  O    . GLU   A 62  ? 0.1529 0.1486 0.1618 -0.0098 0.0108  0.0087  62  GLU   A O    
958  C  CB   A GLU   A 62  ? 0.1852 0.1848 0.2005 -0.0030 0.0172  0.0102  62  GLU   A CB   
959  C  CB   B GLU   A 62  ? 0.1961 0.2041 0.2226 0.0117  0.0061  0.0220  62  GLU   A CB   
960  C  CG   A GLU   A 62  ? 0.1945 0.1972 0.2235 0.0041  0.0100  0.0213  62  GLU   A CG   
961  C  CG   B GLU   A 62  ? 0.2248 0.2501 0.2487 -0.0067 0.0152  0.0369  62  GLU   A CG   
962  C  CD   A GLU   A 62  ? 0.2442 0.2263 0.2281 0.0145  -0.0006 0.0103  62  GLU   A CD   
963  C  CD   B GLU   A 62  ? 0.2409 0.2673 0.2920 -0.0037 0.0233  0.0058  62  GLU   A CD   
964  O  OE1  A GLU   A 62  ? 0.2616 0.2856 0.3125 0.0414  -0.0094 0.0465  62  GLU   A OE1  
965  O  OE1  B GLU   A 62  ? 0.3119 0.2466 0.2820 0.0160  -0.0310 0.0339  62  GLU   A OE1  
966  O  OE2  A GLU   A 62  ? 0.2527 0.2498 0.2049 0.0140  0.0369  0.0289  62  GLU   A OE2  
967  O  OE2  B GLU   A 62  ? 0.2578 0.3278 0.3234 -0.0176 0.0703  0.0169  62  GLU   A OE2  
968  H  H    . GLU   A 62  ? 0.1539 0.1565 0.1763 -0.0027 0.0136  -0.0028 62  GLU   A H    
969  H  HA   A GLU   A 62  ? 0.1631 0.1690 0.1830 -0.0005 0.0169  0.0002  62  GLU   A HA   
970  H  HA   B GLU   A 62  ? 0.1649 0.1709 0.1893 0.0024  0.0169  0.0016  62  GLU   A HA   
971  H  HB2  A GLU   A 62  ? 0.1808 0.1889 0.1987 -0.0019 0.0127  0.0042  62  GLU   A HB2  
972  H  HB2  B GLU   A 62  ? 0.1947 0.2007 0.2177 0.0061  0.0098  0.0181  62  GLU   A HB2  
973  H  HB3  A GLU   A 62  ? 0.1720 0.1803 0.1862 -0.0106 0.0124  0.0083  62  GLU   A HB3  
974  H  HB3  B GLU   A 62  ? 0.1903 0.2058 0.2143 0.0012  0.0105  0.0152  62  GLU   A HB3  
975  H  HG2  A GLU   A 62  ? 0.2027 0.2026 0.2122 0.0001  0.0060  0.0096  62  GLU   A HG2  
976  H  HG2  B GLU   A 62  ? 0.2291 0.2381 0.2477 0.0046  0.0066  0.0193  62  GLU   A HG2  
977  H  HG3  A GLU   A 62  ? 0.1961 0.1950 0.2011 -0.0011 0.0026  0.0083  62  GLU   A HG3  
978  H  HG3  B GLU   A 62  ? 0.2302 0.2350 0.2449 -0.0069 0.0131  0.0146  62  GLU   A HG3  
979  N  N    . GLU   A 63  ? 0.1602 0.1467 0.1937 0.0047  0.0247  -0.0125 63  GLU   A N    
980  C  CA   . GLU   A 63  ? 0.1665 0.1841 0.1863 0.0035  0.0164  -0.0006 63  GLU   A CA   
981  C  C    . GLU   A 63  ? 0.1406 0.1596 0.1685 0.0023  -0.0028 0.0002  63  GLU   A C    
982  O  O    . GLU   A 63  ? 0.1656 0.1590 0.2031 0.0065  0.0238  0.0186  63  GLU   A O    
983  C  CB   . GLU   A 63  ? 0.2315 0.2064 0.2189 -0.0180 0.0225  -0.0359 63  GLU   A CB   
984  C  CG   . GLU   A 63  ? 0.2436 0.2931 0.3023 -0.0103 0.0121  -0.0346 63  GLU   A CG   
985  C  CD   . GLU   A 63  ? 0.3268 0.4030 0.3199 0.0165  -0.0450 -0.0590 63  GLU   A CD   
986  O  OE1  . GLU   A 63  ? 0.4582 0.3951 0.4059 -0.0209 -0.0513 -0.1518 63  GLU   A OE1  
987  O  OE2  . GLU   A 63  ? 0.3529 0.4591 0.3534 0.0407  -0.0622 -0.1415 63  GLU   A OE2  
988  H  H    . GLU   A 63  ? 0.1660 0.1546 0.1711 0.0104  0.0195  -0.0078 63  GLU   A H    
989  H  HA   . GLU   A 63  ? 0.1641 0.1807 0.1775 0.0000  0.0115  -0.0049 63  GLU   A HA   
990  H  HB2  . GLU   A 63  ? 0.2200 0.2271 0.2127 -0.0082 0.0106  -0.0215 63  GLU   A HB2  
991  H  HB3  . GLU   A 63  ? 0.2173 0.2220 0.2241 -0.0084 0.0138  -0.0135 63  GLU   A HB3  
992  H  HG2  . GLU   A 63  ? 0.2617 0.2776 0.2779 -0.0004 0.0024  -0.0270 63  GLU   A HG2  
993  H  HG3  . GLU   A 63  ? 0.2558 0.2889 0.2749 -0.0059 0.0020  -0.0331 63  GLU   A HG3  
994  N  N    . GLU   A 64  ? 0.1190 0.1414 0.1208 -0.0059 0.0138  0.0106  64  GLU   A N    
995  C  CA   . GLU   A 64  ? 0.1200 0.1248 0.1217 -0.0039 0.0106  0.0072  64  GLU   A CA   
996  C  C    . GLU   A 64  ? 0.1139 0.1123 0.1082 -0.0078 0.0142  0.0060  64  GLU   A C    
997  O  O    . GLU   A 64  ? 0.1134 0.1106 0.1026 -0.0142 0.0147  -0.0019 64  GLU   A O    
998  C  CB   . GLU   A 64  ? 0.1249 0.1424 0.1276 -0.0016 0.0106  0.0015  64  GLU   A CB   
999  C  CG   . GLU   A 64  ? 0.1456 0.1384 0.1240 -0.0066 0.0013  0.0029  64  GLU   A CG   
1000 C  CD   . GLU   A 64  ? 0.1430 0.1246 0.1258 -0.0142 0.0092  0.0004  64  GLU   A CD   
1001 O  OE1  . GLU   A 64  ? 0.1395 0.1373 0.1427 -0.0164 0.0102  -0.0057 64  GLU   A OE1  
1002 O  OE2  . GLU   A 64  ? 0.1626 0.1447 0.1144 -0.0182 0.0066  0.0047  64  GLU   A OE2  
1003 H  H    . GLU   A 64  ? 0.1269 0.1335 0.1290 -0.0007 0.0080  0.0059  64  GLU   A H    
1004 H  HA   . GLU   A 64  ? 0.1218 0.1225 0.1232 -0.0039 0.0092  0.0041  64  GLU   A HA   
1005 H  HB2  . GLU   A 64  ? 0.1254 0.1341 0.1239 -0.0015 0.0067  0.0031  64  GLU   A HB2  
1006 H  HB3  . GLU   A 64  ? 0.1317 0.1354 0.1266 -0.0017 0.0068  0.0030  64  GLU   A HB3  
1007 H  HG2  . GLU   A 64  ? 0.1372 0.1359 0.1324 -0.0057 0.0004  0.0026  64  GLU   A HG2  
1008 H  HG3  . GLU   A 64  ? 0.1377 0.1361 0.1303 -0.0048 0.0047  0.0007  64  GLU   A HG3  
1009 N  N    . ASP   A 65  ? 0.1078 0.1067 0.1077 -0.0037 0.0152  0.0077  65  ASP   A N    
1010 C  CA   . ASP   A 65  ? 0.1119 0.1129 0.0960 -0.0037 0.0065  0.0049  65  ASP   A CA   
1011 C  C    . ASP   A 65  ? 0.1001 0.1141 0.1017 -0.0027 0.0115  -0.0023 65  ASP   A C    
1012 O  O    . ASP   A 65  ? 0.1136 0.1265 0.1144 -0.0035 0.0054  0.0103  65  ASP   A O    
1013 C  CB   . ASP   A 65  ? 0.1119 0.1198 0.1019 -0.0127 0.0124  -0.0017 65  ASP   A CB   
1014 C  CG   . ASP   A 65  ? 0.1326 0.1283 0.1206 -0.0228 0.0133  0.0098  65  ASP   A CG   
1015 O  OD1  . ASP   A 65  ? 0.1259 0.1436 0.1227 -0.0303 0.0154  -0.0012 65  ASP   A OD1  
1016 O  OD2  . ASP   A 65  ? 0.1547 0.1266 0.1451 -0.0355 0.0197  -0.0069 65  ASP   A OD2  
1017 H  H    . ASP   A 65  ? 0.1107 0.1080 0.1074 -0.0032 0.0100  0.0054  65  ASP   A H    
1018 H  HA   . ASP   A 65  ? 0.1110 0.1128 0.1065 -0.0051 0.0043  -0.0019 65  ASP   A HA   
1019 H  HB2  . ASP   A 65  ? 0.1155 0.1189 0.1115 -0.0084 0.0028  0.0013  65  ASP   A HB2  
1020 H  HB3  . ASP   A 65  ? 0.1190 0.1216 0.1066 -0.0060 0.0080  0.0020  65  ASP   A HB3  
1021 N  N    . THR   A 66  ? 0.1023 0.1071 0.0965 -0.0053 0.0079  0.0031  66  THR   A N    
1022 C  CA   . THR   A 66  ? 0.1083 0.1084 0.0970 0.0028  0.0022  0.0053  66  THR   A CA   
1023 C  C    . THR   A 66  ? 0.0990 0.1079 0.0959 0.0014  0.0151  -0.0026 66  THR   A C    
1024 O  O    . THR   A 66  ? 0.1057 0.1060 0.0960 -0.0038 0.0096  -0.0056 66  THR   A O    
1025 C  CB   . THR   A 66  ? 0.1178 0.1013 0.1089 -0.0056 0.0021  -0.0038 66  THR   A CB   
1026 O  OG1  . THR   A 66  ? 0.1102 0.1190 0.1203 -0.0075 -0.0042 -0.0029 66  THR   A OG1  
1027 C  CG2  . THR   A 66  ? 0.1136 0.1258 0.1136 -0.0079 0.0012  0.0031  66  THR   A CG2  
1028 H  H    . THR   A 66  ? 0.1063 0.1084 0.1032 -0.0020 0.0044  0.0033  66  THR   A H    
1029 H  HA   . THR   A 66  ? 0.1071 0.1070 0.1008 0.0000  0.0040  0.0025  66  THR   A HA   
1030 H  HB   . THR   A 66  ? 0.1127 0.1060 0.1083 -0.0042 0.0016  0.0026  66  THR   A HB   
1031 H  HG1  . THR   A 66  ? 0.1158 0.1158 0.1158 0.0000  0.0000  0.0000  66  THR   A HG1  
1032 H  HG21 . THR   A 66  ? 0.1179 0.1191 0.1133 -0.0042 -0.0012 0.0011  66  THR   A HG21 
1033 H  HG22 . THR   A 66  ? 0.1139 0.1161 0.1127 -0.0020 0.0002  -0.0001 66  THR   A HG22 
1034 H  HG23 . THR   A 66  ? 0.1149 0.1184 0.1142 -0.0022 0.0002  -0.0031 66  THR   A HG23 
1035 N  N    . TRP   A 67  ? 0.1092 0.0924 0.0975 -0.0017 0.0134  0.0058  67  TRP   A N    
1036 C  CA   . TRP   A 67  ? 0.0986 0.1047 0.0984 -0.0071 0.0066  0.0061  67  TRP   A CA   
1037 C  C    . TRP   A 67  ? 0.0965 0.0909 0.0842 -0.0032 0.0045  -0.0061 67  TRP   A C    
1038 O  O    . TRP   A 67  ? 0.1018 0.1153 0.1176 -0.0144 0.0113  -0.0031 67  TRP   A O    
1039 C  CB   . TRP   A 67  ? 0.1090 0.1067 0.1019 -0.0122 0.0128  -0.0023 67  TRP   A CB   
1040 C  CG   . TRP   A 67  ? 0.1138 0.1219 0.1106 -0.0012 0.0101  0.0082  67  TRP   A CG   
1041 C  CD1  . TRP   A 67  ? 0.1224 0.0976 0.1261 0.0025  0.0071  0.0108  67  TRP   A CD1  
1042 C  CD2  . TRP   A 67  ? 0.1242 0.1279 0.1117 -0.0018 0.0083  -0.0018 67  TRP   A CD2  
1043 N  NE1  . TRP   A 67  ? 0.1164 0.1245 0.1269 -0.0036 -0.0028 0.0084  67  TRP   A NE1  
1044 C  CE2  . TRP   A 67  ? 0.1177 0.1338 0.1336 -0.0006 0.0128  0.0011  67  TRP   A CE2  
1045 C  CE3  . TRP   A 67  ? 0.1308 0.1642 0.1400 0.0028  -0.0041 -0.0269 67  TRP   A CE3  
1046 C  CZ2  . TRP   A 67  ? 0.1253 0.1535 0.1490 0.0035  0.0180  -0.0019 67  TRP   A CZ2  
1047 C  CZ3  . TRP   A 67  ? 0.1629 0.1548 0.1652 0.0145  0.0179  -0.0354 67  TRP   A CZ3  
1048 C  CH2  . TRP   A 67  ? 0.1535 0.1647 0.1557 0.0124  0.0221  -0.0120 67  TRP   A CH2  
1049 H  H    . TRP   A 67  ? 0.1033 0.0973 0.0974 0.0014  0.0095  0.0065  67  TRP   A H    
1050 H  HA   . TRP   A 67  ? 0.1004 0.0988 0.0980 -0.0038 0.0068  0.0020  67  TRP   A HA   
1051 H  HB2  . TRP   A 67  ? 0.1063 0.1044 0.1046 -0.0064 0.0087  0.0030  67  TRP   A HB2  
1052 H  HB3  . TRP   A 67  ? 0.1074 0.1075 0.1061 -0.0065 0.0074  0.0042  67  TRP   A HB3  
1053 H  HD1  . TRP   A 67  ? 0.1176 0.1145 0.1195 -0.0001 0.0064  0.0048  67  TRP   A HD1  
1054 H  HE1  . TRP   A 67  ? 0.1200 0.1204 0.1237 -0.0020 -0.0018 0.0045  67  TRP   A HE1  
1055 H  HE3  . TRP   A 67  ? 0.1302 0.1488 0.1345 0.0024  -0.0015 -0.0187 67  TRP   A HE3  
1056 H  HZ2  . TRP   A 67  ? 0.1384 0.1474 0.1437 0.0033  0.0066  -0.0032 67  TRP   A HZ2  
1057 H  HZ3  . TRP   A 67  ? 0.1498 0.1439 0.1421 0.0075  0.0129  -0.0115 67  TRP   A HZ3  
1058 H  HH2  . TRP   A 67  ? 0.1412 0.1517 0.1579 0.0079  0.0106  -0.0086 67  TRP   A HH2  
1059 N  N    . GLN   A 68  ? 0.0894 0.0973 0.0902 -0.0076 0.0047  -0.0003 68  GLN   A N    
1060 C  CA   . GLN   A 68  ? 0.0872 0.0923 0.1005 -0.0050 -0.0005 0.0054  68  GLN   A CA   
1061 C  C    . GLN   A 68  ? 0.0951 0.1093 0.1054 -0.0032 0.0024  0.0114  68  GLN   A C    
1062 O  O    . GLN   A 68  ? 0.1049 0.1186 0.0959 -0.0122 0.0112  -0.0052 68  GLN   A O    
1063 C  CB   . GLN   A 68  ? 0.0935 0.1011 0.1004 -0.0025 0.0038  0.0033  68  GLN   A CB   
1064 C  CG   . GLN   A 68  ? 0.1152 0.1155 0.0951 0.0017  0.0071  0.0015  68  GLN   A CG   
1065 C  CD   . GLN   A 68  ? 0.1022 0.1163 0.1119 -0.0041 0.0107  0.0017  68  GLN   A CD   
1066 O  OE1  . GLN   A 68  ? 0.1154 0.1315 0.1173 0.0138  0.0083  -0.0031 68  GLN   A OE1  
1067 N  NE2  . GLN   A 68  ? 0.1110 0.1271 0.1187 0.0007  -0.0016 -0.0064 68  GLN   A NE2  
1068 H  H    . GLN   A 68  ? 0.0904 0.0916 0.0930 -0.0043 0.0026  0.0000  68  GLN   A H    
1069 H  HA   . GLN   A 68  ? 0.0916 0.0943 0.1008 -0.0057 0.0012  0.0028  68  GLN   A HA   
1070 H  HB2  . GLN   A 68  ? 0.0977 0.0998 0.1001 -0.0024 0.0026  0.0027  68  GLN   A HB2  
1071 H  HB3  . GLN   A 68  ? 0.0996 0.1027 0.1014 -0.0012 0.0011  0.0034  68  GLN   A HB3  
1072 H  HG2  . GLN   A 68  ? 0.1115 0.1133 0.1016 0.0030  0.0062  0.0033  68  GLN   A HG2  
1073 H  HG3  . GLN   A 68  ? 0.1078 0.1112 0.1058 -0.0010 0.0029  0.0028  68  GLN   A HG3  
1074 H  HE21 . GLN   A 68  ? 0.1139 0.1196 0.1172 -0.0028 0.0006  -0.0001 68  GLN   A HE21 
1075 H  HE22 . GLN   A 68  ? 0.1133 0.1207 0.1176 -0.0029 0.0018  -0.0020 68  GLN   A HE22 
1076 N  N    . LYS   A 69  ? 0.1222 0.1213 0.1099 -0.0182 0.0184  0.0076  69  LYS   A N    
1077 C  CA   . LYS   A 69  ? 0.1333 0.1453 0.1191 -0.0090 0.0328  0.0092  69  LYS   A CA   
1078 C  C    . LYS   A 69  ? 0.1369 0.1612 0.1382 -0.0229 0.0042  -0.0020 69  LYS   A C    
1079 O  O    . LYS   A 69  ? 0.1782 0.1959 0.1731 -0.0597 -0.0344 0.0109  69  LYS   A O    
1080 C  CB   . LYS   A 69  ? 0.1660 0.1720 0.1373 0.0021  0.0490  -0.0242 69  LYS   A CB   
1081 C  CG   . LYS   A 69  ? 0.2335 0.2365 0.1942 0.0230  0.0129  -0.0062 69  LYS   A CG   
1082 C  CD   . LYS   A 69  ? 0.3232 0.2718 0.3435 0.0507  -0.0043 -0.0353 69  LYS   A CD   
1083 C  CE   . LYS   A 69  ? 0.4144 0.3997 0.3629 0.0153  0.0078  -0.0138 69  LYS   A CE   
1084 N  NZ   . LYS   A 69  ? 0.5132 0.4322 0.4897 0.0504  -0.0059 0.0084  69  LYS   A NZ   
1085 H  H    . LYS   A 69  ? 0.1118 0.1151 0.1125 -0.0083 0.0148  0.0080  69  LYS   A H    
1086 H  HA   . LYS   A 69  ? 0.1356 0.1398 0.1242 -0.0068 0.0188  0.0011  69  LYS   A HA   
1087 H  HB2  . LYS   A 69  ? 0.1694 0.1733 0.1474 -0.0003 0.0292  -0.0076 69  LYS   A HB2  
1088 H  HB3  . LYS   A 69  ? 0.1557 0.1800 0.1379 0.0000  0.0377  -0.0083 69  LYS   A HB3  
1089 H  HG2  . LYS   A 69  ? 0.2335 0.2326 0.2086 0.0181  0.0155  -0.0123 69  LYS   A HG2  
1090 H  HG3  . LYS   A 69  ? 0.2107 0.2122 0.2012 0.0131  0.0136  -0.0110 69  LYS   A HG3  
1091 H  HD2  . LYS   A 69  ? 0.3055 0.3028 0.3008 0.0069  0.0012  -0.0165 69  LYS   A HD2  
1092 H  HD3  . LYS   A 69  ? 0.3166 0.3074 0.2930 0.0319  0.0003  -0.0178 69  LYS   A HD3  
1093 H  HE2  . LYS   A 69  ? 0.3735 0.3613 0.3712 0.0266  0.0157  -0.0094 69  LYS   A HE2  
1094 H  HE3  . LYS   A 69  ? 0.3861 0.3602 0.3581 0.0310  -0.0069 -0.0227 69  LYS   A HE3  
1095 H  HZ1  . LYS   A 69  ? 0.4526 0.3978 0.4448 0.0293  0.0307  -0.0001 69  LYS   A HZ1  
1096 H  HZ2  . LYS   A 69  ? 0.4699 0.4054 0.4458 0.0264  -0.0430 0.0022  69  LYS   A HZ2  
1097 H  HZ3  . LYS   A 69  ? 0.4722 0.4262 0.4332 0.0372  -0.0153 -0.0174 69  LYS   A HZ3  
1098 N  N    . LEU   A 70  ? 0.1396 0.1448 0.1048 -0.0165 -0.0019 -0.0122 70  LEU   A N    
1099 C  CA   . LEU   A 70  ? 0.1282 0.1512 0.1307 -0.0118 0.0138  0.0047  70  LEU   A CA   
1100 C  C    . LEU   A 70  ? 0.1229 0.1653 0.1247 -0.0216 -0.0022 0.0075  70  LEU   A C    
1101 O  O    . LEU   A 70  ? 0.1212 0.1825 0.1004 -0.0210 0.0026  0.0075  70  LEU   A O    
1102 C  CB   . LEU   A 70  ? 0.1503 0.1678 0.1486 0.0025  0.0097  0.0001  70  LEU   A CB   
1103 C  CG   . LEU   A 70  ? 0.1751 0.1816 0.1682 0.0043  0.0238  0.0107  70  LEU   A CG   
1104 C  CD1  . LEU   A 70  ? 0.2119 0.2072 0.1811 -0.0205 0.0213  -0.0110 70  LEU   A CD1  
1105 C  CD2  . LEU   A 70  ? 0.2060 0.2534 0.2198 -0.0227 0.0166  -0.0267 70  LEU   A CD2  
1106 H  H    . LEU   A 70  ? 0.1334 0.1419 0.1215 -0.0092 0.0005  -0.0061 70  LEU   A H    
1107 H  HA   . LEU   A 70  ? 0.1345 0.1485 0.1358 -0.0109 0.0021  -0.0005 70  LEU   A HA   
1108 H  HB2  . LEU   A 70  ? 0.1564 0.1611 0.1506 -0.0004 0.0089  0.0025  70  LEU   A HB2  
1109 H  HB3  . LEU   A 70  ? 0.1561 0.1634 0.1530 -0.0007 0.0075  0.0051  70  LEU   A HB3  
1110 H  HG   . LEU   A 70  ? 0.1751 0.1815 0.1709 -0.0018 0.0095  0.0040  70  LEU   A HG   
1111 H  HD11 . LEU   A 70  ? 0.1915 0.1909 0.1749 0.0017  0.0157  -0.0020 70  LEU   A HD11 
1112 H  HD12 . LEU   A 70  ? 0.1926 0.1943 0.1800 -0.0098 0.0121  -0.0046 70  LEU   A HD12 
1113 H  HD13 . LEU   A 70  ? 0.2077 0.2071 0.1996 -0.0143 0.0165  -0.0042 70  LEU   A HD13 
1114 H  HD21 . LEU   A 70  ? 0.2198 0.2391 0.2215 -0.0212 0.0123  -0.0075 70  LEU   A HD21 
1115 H  HD22 . LEU   A 70  ? 0.1957 0.2174 0.2059 -0.0123 0.0014  -0.0060 70  LEU   A HD22 
1116 H  HD23 . LEU   A 70  ? 0.1904 0.2222 0.2028 -0.0192 0.0078  0.0132  70  LEU   A HD23 
1117 N  N    . GLU   A 71  ? 0.1195 0.1310 0.1170 -0.0148 0.0051  -0.0087 71  GLU   A N    
1118 C  CA   . GLU   A 71  ? 0.1199 0.1213 0.1108 -0.0102 -0.0076 -0.0101 71  GLU   A CA   
1119 C  C    . GLU   A 71  ? 0.1123 0.1222 0.1094 -0.0004 -0.0140 -0.0108 71  GLU   A C    
1120 O  O    . GLU   A 71  ? 0.1159 0.1379 0.1241 -0.0021 0.0040  -0.0121 71  GLU   A O    
1121 C  CB   . GLU   A 71  ? 0.1239 0.1328 0.1318 -0.0179 -0.0221 0.0013  71  GLU   A CB   
1122 C  CG   . GLU   A 71  ? 0.1462 0.1178 0.1215 -0.0044 -0.0129 -0.0120 71  GLU   A CG   
1123 C  CD   . GLU   A 71  ? 0.1510 0.1428 0.1423 -0.0214 -0.0178 -0.0117 71  GLU   A CD   
1124 O  OE1  . GLU   A 71  ? 0.2165 0.2087 0.1574 -0.0643 -0.0259 -0.0018 71  GLU   A OE1  
1125 O  OE2  . GLU   A 71  ? 0.1407 0.1203 0.1363 -0.0316 -0.0102 -0.0261 71  GLU   A OE2  
1126 H  H    . GLU   A 71  ? 0.1194 0.1319 0.1211 -0.0114 0.0042  -0.0021 71  GLU   A H    
1127 H  HA   . GLU   A 71  ? 0.1226 0.1281 0.1180 -0.0047 -0.0060 -0.0063 71  GLU   A HA   
1128 H  HB2  . GLU   A 71  ? 0.1312 0.1318 0.1273 -0.0120 -0.0136 -0.0036 71  GLU   A HB2  
1129 H  HB3  . GLU   A 71  ? 0.1369 0.1328 0.1297 -0.0117 -0.0128 -0.0038 71  GLU   A HB3  
1130 H  HG2  . GLU   A 71  ? 0.1382 0.1270 0.1278 -0.0102 -0.0110 0.0000  71  GLU   A HG2  
1131 H  HG3  . GLU   A 71  ? 0.1375 0.1306 0.1300 -0.0031 -0.0092 -0.0077 71  GLU   A HG3  
1132 N  N    . VAL   A 72  ? 0.1169 0.1279 0.1020 -0.0022 -0.0110 -0.0081 72  VAL   A N    
1133 C  CA   . VAL   A 72  ? 0.1086 0.1217 0.1078 -0.0033 0.0072  -0.0144 72  VAL   A CA   
1134 C  C    . VAL   A 72  ? 0.1270 0.1062 0.1159 -0.0014 0.0000  -0.0039 72  VAL   A C    
1135 O  O    . VAL   A 72  ? 0.1416 0.1388 0.1151 0.0131  -0.0142 -0.0134 72  VAL   A O    
1136 C  CB   . VAL   A 72  ? 0.1091 0.1341 0.1150 0.0034  0.0042  0.0010  72  VAL   A CB   
1137 C  CG1  . VAL   A 72  ? 0.1229 0.1380 0.1410 -0.0141 0.0075  0.0012  72  VAL   A CG1  
1138 C  CG2  . VAL   A 72  ? 0.1137 0.1389 0.1227 0.0003  0.0015  0.0075  72  VAL   A CG2  
1139 H  H    . VAL   A 72  ? 0.1182 0.1235 0.1111 -0.0022 -0.0075 -0.0064 72  VAL   A H    
1140 H  HA   . VAL   A 72  ? 0.1151 0.1120 0.1067 0.0043  0.0024  -0.0088 72  VAL   A HA   
1141 H  HB   . VAL   A 72  ? 0.1143 0.1238 0.1191 -0.0006 0.0026  0.0004  72  VAL   A HB   
1142 H  HG11 . VAL   A 72  ? 0.1248 0.1321 0.1369 -0.0054 0.0084  0.0033  72  VAL   A HG11 
1143 H  HG12 . VAL   A 72  ? 0.1212 0.1311 0.1317 -0.0078 0.0038  0.0018  72  VAL   A HG12 
1144 H  HG13 . VAL   A 72  ? 0.1278 0.1346 0.1355 -0.0061 0.0015  0.0048  72  VAL   A HG13 
1145 H  HG21 . VAL   A 72  ? 0.1202 0.1308 0.1253 -0.0027 0.0004  0.0040  72  VAL   A HG21 
1146 H  HG22 . VAL   A 72  ? 0.1179 0.1299 0.1215 -0.0031 0.0027  0.0033  72  VAL   A HG22 
1147 H  HG23 . VAL   A 72  ? 0.1166 0.1286 0.1231 0.0000  0.0006  -0.0022 72  VAL   A HG23 
1148 N  N    . ILE   A 73  ? 0.1084 0.1194 0.1005 -0.0040 -0.0020 0.0040  73  ILE   A N    
1149 C  CA   . ILE   A 73  ? 0.1226 0.1377 0.1092 -0.0009 -0.0148 -0.0005 73  ILE   A CA   
1150 C  C    . ILE   A 73  ? 0.1272 0.1290 0.1237 -0.0124 -0.0051 -0.0103 73  ILE   A C    
1151 O  O    . ILE   A 73  ? 0.1387 0.1547 0.1220 -0.0147 -0.0015 -0.0160 73  ILE   A O    
1152 C  CB   . ILE   A 73  ? 0.1115 0.1685 0.1501 -0.0127 -0.0013 0.0114  73  ILE   A CB   
1153 C  CG1  . ILE   A 73  ? 0.1857 0.2325 0.1617 0.0017  -0.0227 -0.0124 73  ILE   A CG1  
1154 C  CG2  . ILE   A 73  ? 0.1258 0.1815 0.1568 0.0013  -0.0020 0.0014  73  ILE   A CG2  
1155 C  CD1  . ILE   A 73  ? 0.1921 0.2268 0.2058 0.0103  -0.0173 0.0007  73  ILE   A CD1  
1156 H  H    . ILE   A 73  ? 0.1164 0.1199 0.1137 -0.0009 -0.0011 -0.0022 73  ILE   A H    
1157 H  HA   . ILE   A 73  ? 0.1240 0.1327 0.1231 -0.0045 -0.0061 0.0004  73  ILE   A HA   
1158 H  HB   . ILE   A 73  ? 0.1314 0.1500 0.1397 -0.0069 -0.0028 0.0075  73  ILE   A HB   
1159 H  HG12 . ILE   A 73  ? 0.1764 0.2036 0.1848 0.0112  -0.0149 -0.0087 73  ILE   A HG12 
1160 H  HG13 . ILE   A 73  ? 0.1654 0.1969 0.1781 -0.0028 -0.0126 0.0111  73  ILE   A HG13 
1161 H  HG21 . ILE   A 73  ? 0.1328 0.1604 0.1505 0.0005  0.0015  0.0018  73  ILE   A HG21 
1162 H  HG22 . ILE   A 73  ? 0.1373 0.1655 0.1547 0.0088  0.0061  0.0010  73  ILE   A HG22 
1163 H  HG23 . ILE   A 73  ? 0.1372 0.1617 0.1559 0.0042  -0.0023 -0.0025 73  ILE   A HG23 
1164 H  HD11 . ILE   A 73  ? 0.2019 0.2109 0.2037 0.0094  -0.0131 -0.0039 73  ILE   A HD11 
1165 H  HD12 . ILE   A 73  ? 0.1926 0.2162 0.1936 0.0041  -0.0040 -0.0037 73  ILE   A HD12 
1166 H  HD13 . ILE   A 73  ? 0.1880 0.2110 0.1982 0.0007  -0.0122 0.0095  73  ILE   A HD13 
1167 N  N    . LYS   A 74  ? 0.1122 0.1222 0.1060 -0.0072 0.0019  -0.0018 74  LYS   A N    
1168 C  CA   . LYS   A 74  ? 0.1179 0.1425 0.1223 -0.0186 0.0059  0.0026  74  LYS   A CA   
1169 C  C    . LYS   A 74  ? 0.1166 0.1293 0.1093 -0.0100 0.0034  -0.0066 74  LYS   A C    
1170 O  O    . LYS   A 74  ? 0.1268 0.1409 0.1118 -0.0106 0.0065  -0.0026 74  LYS   A O    
1171 C  CB   . LYS   A 74  ? 0.1525 0.1535 0.1629 -0.0123 -0.0198 0.0093  74  LYS   A CB   
1172 C  CG   . LYS   A 74  ? 0.1993 0.2026 0.1853 -0.0154 -0.0030 0.0287  74  LYS   A CG   
1173 C  CD   . LYS   A 74  ? 0.2487 0.2176 0.2602 0.0311  -0.0070 0.0142  74  LYS   A CD   
1174 C  CE   . LYS   A 74  ? 0.2971 0.2650 0.3048 -0.0054 0.0068  0.0262  74  LYS   A CE   
1175 N  NZ   . LYS   A 74  ? 0.3583 0.3503 0.3228 0.0004  -0.0040 0.0006  74  LYS   A NZ   
1176 H  H    . LYS   A 74  ? 0.1174 0.1253 0.1112 -0.0088 -0.0016 -0.0079 74  LYS   A H    
1177 H  HA   . LYS   A 74  ? 0.1239 0.1343 0.1282 -0.0083 0.0006  -0.0012 74  LYS   A HA   
1178 H  HB2  . LYS   A 74  ? 0.1469 0.1558 0.1559 -0.0101 -0.0112 0.0052  74  LYS   A HB2  
1179 H  HB3  . LYS   A 74  ? 0.1531 0.1634 0.1636 -0.0132 -0.0072 0.0075  74  LYS   A HB3  
1180 H  HG2  . LYS   A 74  ? 0.1951 0.1931 0.1936 0.0003  -0.0060 0.0134  74  LYS   A HG2  
1181 H  HG3  . LYS   A 74  ? 0.2026 0.2007 0.2042 -0.0082 -0.0029 0.0124  74  LYS   A HG3  
1182 H  HD2  . LYS   A 74  ? 0.2522 0.2423 0.2596 0.0079  -0.0034 0.0147  74  LYS   A HD2  
1183 H  HD3  . LYS   A 74  ? 0.2431 0.2328 0.2426 0.0019  0.0003  0.0129  74  LYS   A HD3  
1184 H  HE2  . LYS   A 74  ? 0.2786 0.2808 0.2954 -0.0038 0.0097  0.0076  74  LYS   A HE2  
1185 H  HE3  . LYS   A 74  ? 0.2843 0.2888 0.3000 0.0060  -0.0007 0.0131  74  LYS   A HE3  
1186 H  HZ1  . LYS   A 74  ? 0.3182 0.3174 0.2974 -0.0197 0.0169  -0.0035 74  LYS   A HZ1  
1187 H  HZ2  . LYS   A 74  ? 0.3242 0.3174 0.3173 0.0100  0.0009  -0.0123 74  LYS   A HZ2  
1188 H  HZ3  . LYS   A 74  ? 0.3225 0.3219 0.3297 0.0092  0.0094  0.0071  74  LYS   A HZ3  
1189 N  N    . GLN   A 75  ? 0.1150 0.1345 0.1078 -0.0178 -0.0062 -0.0002 75  GLN   A N    
1190 C  CA   . GLN   A 75  ? 0.1281 0.1299 0.1221 -0.0153 -0.0158 -0.0133 75  GLN   A CA   
1191 C  C    . GLN   A 75  ? 0.1579 0.1358 0.1387 -0.0154 -0.0098 -0.0011 75  GLN   A C    
1192 O  O    . GLN   A 75  ? 0.2089 0.1589 0.1417 -0.0322 -0.0091 0.0105  75  GLN   A O    
1193 C  CB   . GLN   A 75  ? 0.1240 0.1375 0.1230 -0.0059 -0.0273 -0.0081 75  GLN   A CB   
1194 C  CG   . GLN   A 75  ? 0.1257 0.1354 0.1234 -0.0124 -0.0042 0.0012  75  GLN   A CG   
1195 C  CD   . GLN   A 75  ? 0.1370 0.1381 0.1452 -0.0050 0.0024  -0.0046 75  GLN   A CD   
1196 O  OE1  . GLN   A 75  ? 0.1348 0.1713 0.1549 -0.0189 0.0179  -0.0325 75  GLN   A OE1  
1197 N  NE2  . GLN   A 75  ? 0.1315 0.1467 0.1456 -0.0141 -0.0033 -0.0109 75  GLN   A NE2  
1198 H  H    . GLN   A 75  ? 0.1207 0.1298 0.1151 -0.0118 -0.0049 -0.0087 75  GLN   A H    
1199 H  HA   . GLN   A 75  ? 0.1301 0.1330 0.1239 -0.0116 -0.0124 -0.0064 75  GLN   A HA   
1200 H  HB2  . GLN   A 75  ? 0.1270 0.1334 0.1245 -0.0080 -0.0156 -0.0071 75  GLN   A HB2  
1201 H  HB3  . GLN   A 75  ? 0.1224 0.1297 0.1277 -0.0100 -0.0143 -0.0056 75  GLN   A HB3  
1202 H  HG2  . GLN   A 75  ? 0.1276 0.1347 0.1276 -0.0064 -0.0084 -0.0021 75  GLN   A HG2  
1203 H  HG3  . GLN   A 75  ? 0.1261 0.1308 0.1299 -0.0082 -0.0077 -0.0025 75  GLN   A HG3  
1204 H  HE21 . GLN   A 75  ? 0.1397 0.1452 0.1464 -0.0046 -0.0038 -0.0051 75  GLN   A HE21 
1205 H  HE22 . GLN   A 75  ? 0.1321 0.1401 0.1434 -0.0104 -0.0015 -0.0057 75  GLN   A HE22 
1206 N  N    . PHE   A 76  ? 0.1280 0.1309 0.1200 -0.0122 -0.0107 0.0065  76  PHE   A N    
1207 C  CA   . PHE   A 76  ? 0.1387 0.1362 0.1329 -0.0060 -0.0187 0.0076  76  PHE   A CA   
1208 C  C    . PHE   A 76  ? 0.1363 0.1227 0.1394 -0.0036 -0.0131 0.0128  76  PHE   A C    
1209 O  O    . PHE   A 76  ? 0.1429 0.1360 0.1295 -0.0103 -0.0053 0.0167  76  PHE   A O    
1210 C  CB   . PHE   A 76  ? 0.1473 0.1379 0.1441 -0.0039 -0.0130 0.0038  76  PHE   A CB   
1211 C  CG   . PHE   A 76  ? 0.1476 0.1609 0.1444 0.0010  -0.0141 0.0076  76  PHE   A CG   
1212 C  CD1  . PHE   A 76  ? 0.1715 0.1773 0.1613 -0.0119 -0.0077 0.0125  76  PHE   A CD1  
1213 C  CD2  . PHE   A 76  ? 0.1744 0.1980 0.1787 -0.0086 -0.0335 0.0355  76  PHE   A CD2  
1214 C  CE1  . PHE   A 76  ? 0.1828 0.1991 0.1924 -0.0312 -0.0029 0.0226  76  PHE   A CE1  
1215 C  CE2  . PHE   A 76  ? 0.1644 0.2240 0.2008 0.0103  -0.0335 0.0379  76  PHE   A CE2  
1216 C  CZ   . PHE   A 76  ? 0.1661 0.2098 0.2141 -0.0086 -0.0145 0.0143  76  PHE   A CZ   
1217 H  H    . PHE   A 76  ? 0.1355 0.1325 0.1230 -0.0091 -0.0136 0.0082  76  PHE   A H    
1218 H  HA   . PHE   A 76  ? 0.1396 0.1345 0.1319 -0.0058 -0.0135 0.0071  76  PHE   A HA   
1219 H  HB2  . PHE   A 76  ? 0.1459 0.1435 0.1439 -0.0027 -0.0091 0.0049  76  PHE   A HB2  
1220 H  HB3  . PHE   A 76  ? 0.1465 0.1421 0.1432 -0.0044 -0.0110 0.0083  76  PHE   A HB3  
1221 H  HD1  . PHE   A 76  ? 0.1646 0.1708 0.1633 -0.0032 -0.0015 0.0059  76  PHE   A HD1  
1222 H  HD2  . PHE   A 76  ? 0.1673 0.1775 0.1725 -0.0018 -0.0248 0.0181  76  PHE   A HD2  
1223 H  HE1  . PHE   A 76  ? 0.1695 0.1702 0.1726 -0.0159 -0.0040 0.0150  76  PHE   A HE1  
1224 H  HE2  . PHE   A 76  ? 0.1462 0.1779 0.1471 0.0279  -0.0214 0.0243  76  PHE   A HE2  
1225 H  HZ   . PHE   A 76  ? 0.1735 0.2095 0.2076 -0.0138 -0.0197 0.0164  76  PHE   A HZ   
1226 N  N    . ARG   A 77  ? 0.1521 0.1607 0.1345 -0.0107 -0.0147 0.0012  77  ARG   A N    
1227 C  CA   A ARG   A 77  ? 0.1572 0.1883 0.1535 -0.0227 -0.0148 0.0247  77  ARG   A CA   
1228 C  CA   B ARG   A 77  ? 0.1512 0.1776 0.1508 -0.0136 -0.0074 0.0097  77  ARG   A CA   
1229 C  C    . ARG   A 77  ? 0.1500 0.1801 0.1718 -0.0299 -0.0188 0.0236  77  ARG   A C    
1230 O  O    . ARG   A 77  ? 0.1728 0.2032 0.1763 -0.0435 -0.0362 0.0566  77  ARG   A O    
1231 C  CB   A ARG   A 77  ? 0.1969 0.2722 0.1861 -0.0073 0.0074  0.0019  77  ARG   A CB   
1232 C  CB   B ARG   A 77  ? 0.1599 0.1902 0.1706 0.0048  -0.0002 0.0065  77  ARG   A CB   
1233 C  CG   A ARG   A 77  ? 0.2090 0.2462 0.2199 -0.0095 -0.0198 0.0215  77  ARG   A CG   
1234 C  CG   B ARG   A 77  ? 0.1655 0.1636 0.1611 -0.0098 0.0088  0.0022  77  ARG   A CG   
1235 C  CD   A ARG   A 77  ? 0.2299 0.2417 0.2273 -0.0110 -0.0279 0.0128  77  ARG   A CD   
1236 C  CD   B ARG   A 77  ? 0.1750 0.1845 0.1737 0.0063  0.0128  0.0143  77  ARG   A CD   
1237 N  NE   A ARG   A 77  ? 0.3076 0.2603 0.2255 0.0038  -0.0231 0.0035  77  ARG   A NE   
1238 N  NE   B ARG   A 77  ? 0.1958 0.2245 0.1907 -0.0147 -0.0068 -0.0147 77  ARG   A NE   
1239 C  CZ   A ARG   A 77  ? 0.3782 0.3198 0.2792 0.0364  0.0143  -0.0128 77  ARG   A CZ   
1240 C  CZ   B ARG   A 77  ? 0.2002 0.2559 0.1992 -0.0005 0.0003  -0.0019 77  ARG   A CZ   
1241 N  NH1  A ARG   A 77  ? 0.4226 0.3476 0.3066 0.0674  0.0051  -0.0055 77  ARG   A NH1  
1242 N  NH1  B ARG   A 77  ? 0.2013 0.2060 0.1857 -0.0357 0.0068  -0.0001 77  ARG   A NH1  
1243 N  NH2  A ARG   A 77  ? 0.3942 0.3069 0.2860 0.0280  -0.0271 -0.0135 77  ARG   A NH2  
1244 N  NH2  B ARG   A 77  ? 0.2085 0.2709 0.2002 -0.0276 -0.0019 -0.0216 77  ARG   A NH2  
1245 H  H    . ARG   A 77  ? 0.1504 0.1531 0.1430 -0.0098 -0.0134 -0.0017 77  ARG   A H    
1246 H  HA   A ARG   A 77  ? 0.1545 0.1821 0.1553 -0.0107 -0.0124 0.0146  77  ARG   A HA   
1247 H  HA   B ARG   A 77  ? 0.1500 0.1693 0.1546 -0.0079 -0.0069 0.0086  77  ARG   A HA   
1248 H  HB2  A ARG   A 77  ? 0.1963 0.2391 0.1861 0.0176  -0.0013 0.0173  77  ARG   A HB2  
1249 H  HB2  B ARG   A 77  ? 0.1647 0.1778 0.1695 -0.0023 -0.0003 0.0033  77  ARG   A HB2  
1250 H  HB3  A ARG   A 77  ? 0.1962 0.2278 0.2011 -0.0060 -0.0019 0.0021  77  ARG   A HB3  
1251 H  HB3  B ARG   A 77  ? 0.1699 0.1782 0.1661 0.0000  -0.0014 0.0035  77  ARG   A HB3  
1252 H  HG2  A ARG   A 77  ? 0.2125 0.2318 0.2155 0.0027  -0.0114 0.0094  77  ARG   A HG2  
1253 H  HG2  B ARG   A 77  ? 0.1653 0.1706 0.1676 -0.0028 0.0009  0.0034  77  ARG   A HG2  
1254 H  HG3  A ARG   A 77  ? 0.1961 0.2163 0.2104 -0.0054 -0.0091 0.0058  77  ARG   A HG3  
1255 H  HG3  B ARG   A 77  ? 0.1610 0.1628 0.1683 -0.0070 0.0015  0.0002  77  ARG   A HG3  
1256 H  HD2  A ARG   A 77  ? 0.2272 0.2423 0.2281 -0.0084 -0.0187 0.0088  77  ARG   A HD2  
1257 H  HD2  B ARG   A 77  ? 0.1825 0.1854 0.1745 0.0021  0.0064  0.0048  77  ARG   A HD2  
1258 H  HD3  A ARG   A 77  ? 0.2457 0.2376 0.2355 -0.0056 -0.0172 0.0102  77  ARG   A HD3  
1259 H  HD3  B ARG   A 77  ? 0.1732 0.1769 0.1702 0.0008  0.0044  0.0046  77  ARG   A HD3  
1260 H  HE   A ARG   A 77  ? 0.2828 0.2598 0.2410 0.0026  -0.0109 0.0021  77  ARG   A HE   
1261 H  HE   B ARG   A 77  ? 0.1924 0.2173 0.1895 -0.0051 0.0025  -0.0043 77  ARG   A HE   
1262 H  HH11 A ARG   A 77  ? 0.3662 0.3188 0.3080 0.0335  0.0060  -0.0050 77  ARG   A HH11 
1263 H  HH11 B ARG   A 77  ? 0.1952 0.2119 0.1915 -0.0197 0.0008  0.0003  77  ARG   A HH11 
1264 H  HH12 A ARG   A 77  ? 0.3750 0.3202 0.3031 0.0267  0.0034  0.0000  77  ARG   A HH12 
1265 H  HH12 B ARG   A 77  ? 0.1913 0.2122 0.1887 -0.0194 0.0032  0.0006  77  ARG   A HH12 
1266 H  HH21 A ARG   A 77  ? 0.3549 0.3010 0.2928 0.0040  -0.0058 -0.0122 77  ARG   A HH21 
1267 H  HH21 B ARG   A 77  ? 0.2028 0.2522 0.1997 -0.0132 0.0042  -0.0126 77  ARG   A HH21 
1268 H  HH22 A ARG   A 77  ? 0.3788 0.3161 0.2962 0.0053  -0.0089 -0.0076 77  ARG   A HH22 
1269 H  HH22 B ARG   A 77  ? 0.2031 0.2517 0.2005 -0.0147 -0.0028 -0.0126 77  ARG   A HH22 
1270 N  N    . HIS   A 78  ? 0.1420 0.1675 0.1505 -0.0239 -0.0175 0.0321  78  HIS   A N    
1271 C  CA   . HIS   A 78  ? 0.1640 0.1650 0.1718 -0.0052 -0.0111 0.0130  78  HIS   A CA   
1272 C  C    . HIS   A 78  ? 0.1789 0.1761 0.1778 -0.0176 -0.0060 0.0196  78  HIS   A C    
1273 O  O    . HIS   A 78  ? 0.1645 0.1890 0.1409 -0.0423 -0.0134 0.0373  78  HIS   A O    
1274 C  CB   . HIS   A 78  ? 0.1724 0.1805 0.1705 -0.0086 -0.0147 0.0099  78  HIS   A CB   
1275 C  CG   . HIS   A 78  ? 0.1734 0.1754 0.1885 -0.0149 -0.0014 0.0327  78  HIS   A CG   
1276 N  ND1  . HIS   A 78  ? 0.2033 0.2082 0.1910 -0.0142 -0.0016 0.0412  78  HIS   A ND1  
1277 C  CD2  . HIS   A 78  ? 0.1910 0.1831 0.2010 -0.0024 -0.0049 0.0228  78  HIS   A CD2  
1278 C  CE1  . HIS   A 78  ? 0.2071 0.2116 0.2253 -0.0019 -0.0073 0.0215  78  HIS   A CE1  
1279 N  NE2  . HIS   A 78  ? 0.2277 0.1873 0.2208 0.0071  -0.0069 0.0309  78  HIS   A NE2  
1280 H  H    . HIS   A 78  ? 0.1427 0.1784 0.1447 0.0001  -0.0123 0.0176  78  HIS   A H    
1281 H  HA   . HIS   A 78  ? 0.1714 0.1746 0.1732 -0.0021 -0.0032 0.0121  78  HIS   A HA   
1282 H  HB2  . HIS   A 78  ? 0.1693 0.1704 0.1737 -0.0056 -0.0068 0.0088  78  HIS   A HB2  
1283 H  HB3  . HIS   A 78  ? 0.1796 0.1762 0.1782 -0.0069 -0.0040 0.0102  78  HIS   A HB3  
1284 H  HD1  . HIS   A 78  ? 0.1996 0.2013 0.2024 -0.0132 0.0012  0.0255  78  HIS   A HD1  
1285 H  HD2  . HIS   A 78  ? 0.1941 0.1846 0.1919 -0.0034 -0.0090 0.0162  78  HIS   A HD2  
1286 H  HE1  . HIS   A 78  ? 0.2140 0.2010 0.2085 -0.0023 -0.0072 0.0072  78  HIS   A HE1  
1287 H  HE2  . HIS   A 78  ? 0.2150 0.2047 0.2164 -0.0032 -0.0014 0.0112  78  HIS   A HE2  
1288 N  N    . PRO   A 79  ? 0.2007 0.2023 0.1836 -0.0180 -0.0154 0.0383  79  PRO   A N    
1289 C  CA   . PRO   A 79  ? 0.2109 0.2251 0.1887 -0.0120 -0.0003 0.0476  79  PRO   A CA   
1290 C  C    . PRO   A 79  ? 0.2068 0.2252 0.2007 -0.0231 -0.0082 0.0267  79  PRO   A C    
1291 O  O    . PRO   A 79  ? 0.2505 0.2856 0.1817 -0.0669 -0.0163 0.0550  79  PRO   A O    
1292 C  CB   . PRO   A 79  ? 0.2169 0.2464 0.2269 -0.0127 -0.0498 0.0520  79  PRO   A CB   
1293 C  CG   . PRO   A 79  ? 0.2326 0.2377 0.2540 0.0250  -0.0200 0.0591  79  PRO   A CG   
1294 C  CD   . PRO   A 79  ? 0.2183 0.2211 0.1988 -0.0104 -0.0296 0.0333  79  PRO   A CD   
1295 H  HA   . PRO   A 79  ? 0.2056 0.2305 0.2092 -0.0067 -0.0096 0.0297  79  PRO   A HA   
1296 H  HB2  . PRO   A 79  ? 0.2156 0.2177 0.2137 -0.0053 -0.0288 0.0241  79  PRO   A HB2  
1297 H  HB3  . PRO   A 79  ? 0.2109 0.2214 0.2215 -0.0047 -0.0272 0.0354  79  PRO   A HB3  
1298 H  HG2  . PRO   A 79  ? 0.2397 0.2429 0.2320 0.0149  -0.0189 0.0448  79  PRO   A HG2  
1299 H  HG3  . PRO   A 79  ? 0.2195 0.2317 0.2304 0.0056  -0.0216 0.0413  79  PRO   A HG3  
1300 H  HD2  . PRO   A 79  ? 0.2078 0.2099 0.2066 -0.0027 -0.0205 0.0201  79  PRO   A HD2  
1301 H  HD3  . PRO   A 79  ? 0.2095 0.2122 0.2041 -0.0006 -0.0194 0.0290  79  PRO   A HD3  
1302 N  N    . LYS   A 80  ? 0.1876 0.2265 0.1918 -0.0227 -0.0255 0.0696  80  LYS   A N    
1303 C  CA   . LYS   A 80  ? 0.1894 0.2217 0.1919 -0.0111 -0.0025 0.0568  80  LYS   A CA   
1304 C  C    . LYS   A 80  ? 0.1900 0.1954 0.1902 -0.0258 -0.0062 0.0530  80  LYS   A C    
1305 O  O    . LYS   A 80  ? 0.1907 0.2345 0.1730 -0.0397 -0.0146 0.0406  80  LYS   A O    
1306 C  CB   . LYS   A 80  ? 0.2196 0.2244 0.2381 -0.0241 -0.0036 0.0453  80  LYS   A CB   
1307 C  CG   . LYS   A 80  ? 0.2508 0.2707 0.2905 -0.0089 -0.0064 0.0684  80  LYS   A CG   
1308 C  CD   . LYS   A 80  ? 0.3671 0.3138 0.3423 -0.0047 -0.0079 0.0353  80  LYS   A CD   
1309 C  CE   . LYS   A 80  ? 0.3711 0.3762 0.3907 0.0159  -0.0167 0.0117  80  LYS   A CE   
1310 N  NZ   . LYS   A 80  ? 0.4916 0.4169 0.4494 0.0057  0.0021  -0.0187 80  LYS   A NZ   
1311 H  H    . LYS   A 80  ? 0.1964 0.2173 0.2132 -0.0165 -0.0063 0.0405  80  LYS   A H    
1312 H  HA   . LYS   A 80  ? 0.1983 0.2183 0.1934 -0.0168 -0.0046 0.0499  80  LYS   A HA   
1313 H  HB2  . LYS   A 80  ? 0.2213 0.2332 0.2346 -0.0130 -0.0062 0.0374  80  LYS   A HB2  
1314 H  HB3  . LYS   A 80  ? 0.2175 0.2278 0.2317 -0.0153 0.0001  0.0415  80  LYS   A HB3  
1315 H  HG2  . LYS   A 80  ? 0.2664 0.2668 0.2730 -0.0082 -0.0118 0.0328  80  LYS   A HG2  
1316 H  HG3  . LYS   A 80  ? 0.2570 0.2598 0.2744 -0.0119 -0.0018 0.0436  80  LYS   A HG3  
1317 H  HD2  . LYS   A 80  ? 0.3207 0.3096 0.3284 0.0022  -0.0143 0.0140  80  LYS   A HD2  
1318 H  HD3  . LYS   A 80  ? 0.3348 0.3232 0.3325 0.0135  -0.0163 0.0222  80  LYS   A HD3  
1319 H  HE2  . LYS   A 80  ? 0.3820 0.3671 0.3771 0.0063  -0.0089 -0.0073 80  LYS   A HE2  
1320 H  HE3  . LYS   A 80  ? 0.3654 0.3709 0.3827 0.0129  -0.0134 0.0012  80  LYS   A HE3  
1321 H  HZ1  . LYS   A 80  ? 0.4290 0.4037 0.4330 0.0061  -0.0075 -0.0257 80  LYS   A HZ1  
1322 H  HZ2  . LYS   A 80  ? 0.4282 0.4237 0.4517 -0.0110 0.0083  -0.0264 80  LYS   A HZ2  
1323 H  HZ3  . LYS   A 80  ? 0.4334 0.4159 0.4267 0.0301  -0.0238 -0.0245 80  LYS   A HZ3  
1324 N  N    . TYR   A 81  ? 0.1771 0.1803 0.1467 -0.0277 -0.0044 0.0270  81  TYR   A N    
1325 C  CA   . TYR   A 81  ? 0.1688 0.1754 0.1565 -0.0351 0.0035  0.0227  81  TYR   A CA   
1326 C  C    . TYR   A 81  ? 0.1736 0.1743 0.1699 -0.0339 0.0034  0.0168  81  TYR   A C    
1327 O  O    . TYR   A 81  ? 0.2059 0.2453 0.1668 -0.0418 -0.0032 0.0144  81  TYR   A O    
1328 C  CB   . TYR   A 81  ? 0.1659 0.1689 0.1510 -0.0281 0.0073  0.0249  81  TYR   A CB   
1329 C  CG   . TYR   A 81  ? 0.1647 0.1564 0.1239 -0.0387 0.0274  0.0302  81  TYR   A CG   
1330 C  CD1  . TYR   A 81  ? 0.1708 0.1713 0.1469 -0.0276 0.0092  0.0157  81  TYR   A CD1  
1331 C  CD2  . TYR   A 81  ? 0.1917 0.2014 0.1812 -0.0262 0.0240  -0.0092 81  TYR   A CD2  
1332 C  CE1  . TYR   A 81  ? 0.1932 0.1865 0.1553 -0.0192 0.0167  0.0328  81  TYR   A CE1  
1333 C  CE2  . TYR   A 81  ? 0.2226 0.1834 0.1817 -0.0220 0.0238  0.0093  81  TYR   A CE2  
1334 C  CZ   . TYR   A 81  ? 0.1768 0.1872 0.1655 -0.0140 0.0471  0.0309  81  TYR   A CZ   
1335 O  OH   . TYR   A 81  ? 0.2284 0.2067 0.2225 0.0056  0.0335  0.0637  81  TYR   A OH   
1336 H  H    . TYR   A 81  ? 0.1718 0.1792 0.1642 -0.0176 -0.0002 0.0267  81  TYR   A H    
1337 H  HA   . TYR   A 81  ? 0.1707 0.1740 0.1701 -0.0209 -0.0050 0.0112  81  TYR   A HA   
1338 H  HB2  . TYR   A 81  ? 0.1636 0.1667 0.1615 -0.0216 0.0106  0.0182  81  TYR   A HB2  
1339 H  HB3  . TYR   A 81  ? 0.1702 0.1697 0.1647 -0.0164 -0.0010 0.0122  81  TYR   A HB3  
1340 H  HD1  . TYR   A 81  ? 0.1712 0.1739 0.1582 -0.0242 0.0122  0.0083  81  TYR   A HD1  
1341 H  HD2  . TYR   A 81  ? 0.1937 0.1830 0.1853 -0.0178 0.0124  0.0032  81  TYR   A HD2  
1342 H  HE1  . TYR   A 81  ? 0.1867 0.1816 0.1784 -0.0128 0.0064  0.0212  81  TYR   A HE1  
1343 H  HE2  . TYR   A 81  ? 0.1996 0.1885 0.1826 -0.0177 0.0253  0.0043  81  TYR   A HE2  
1344 H  HH   . TYR   A 81  ? 0.2034 0.2034 0.2034 0.0000  0.0000  0.0000  81  TYR   A HH   
1345 N  N    . ASN   A 82  ? 0.1721 0.2169 0.1362 -0.0271 0.0003  0.0298  82  ASN   A N    
1346 C  CA   . ASN   A 82  ? 0.1672 0.2175 0.1624 -0.0195 0.0030  0.0050  82  ASN   A CA   
1347 C  C    . ASN   A 82  ? 0.1793 0.2007 0.1791 -0.0227 -0.0015 0.0033  82  ASN   A C    
1348 O  O    . ASN   A 82  ? 0.2020 0.2147 0.1550 -0.0392 -0.0090 0.0134  82  ASN   A O    
1349 C  CB   . ASN   A 82  ? 0.1897 0.2208 0.2128 -0.0239 0.0000  0.0240  82  ASN   A CB   
1350 C  CG   . ASN   A 82  ? 0.2182 0.2310 0.1964 -0.0042 0.0001  0.0293  82  ASN   A CG   
1351 O  OD1  . ASN   A 82  ? 0.1936 0.2420 0.1581 -0.0223 0.0194  0.0303  82  ASN   A OD1  
1352 N  ND2  . ASN   A 82  ? 0.3036 0.3001 0.2792 0.0102  0.0281  0.0989  82  ASN   A ND2  
1353 H  H    . ASN   A 82  ? 0.1665 0.1965 0.1605 -0.0252 -0.0164 0.0071  82  ASN   A H    
1354 H  HA   . ASN   A 82  ? 0.1820 0.2159 0.1781 -0.0211 -0.0129 0.0022  82  ASN   A HA   
1355 H  HB2  . ASN   A 82  ? 0.2104 0.2202 0.2052 -0.0078 0.0058  0.0128  82  ASN   A HB2  
1356 H  HB3  . ASN   A 82  ? 0.1988 0.2169 0.2093 -0.0128 0.0017  0.0146  82  ASN   A HB3  
1357 H  HD21 . ASN   A 82  ? 0.2546 0.2592 0.2477 0.0020  -0.0060 0.0532  82  ASN   A HD21 
1358 H  HD22 . ASN   A 82  ? 0.2713 0.2717 0.2404 -0.0141 0.0039  0.0560  82  ASN   A HD22 
1359 N  N    . THR   A 83  ? 0.2461 0.2166 0.1843 -0.0351 0.0046  -0.0103 83  THR   A N    
1360 C  CA   . THR   A 83  ? 0.2684 0.2529 0.2203 -0.0047 0.0074  -0.0220 83  THR   A CA   
1361 C  C    . THR   A 83  ? 0.2657 0.2620 0.1949 0.0153  0.0102  -0.0460 83  THR   A C    
1362 O  O    . THR   A 83  ? 0.3435 0.3010 0.2746 0.0653  -0.0135 -0.0440 83  THR   A O    
1363 C  CB   . THR   A 83  ? 0.3190 0.2492 0.2345 0.0036  0.0271  -0.0314 83  THR   A CB   
1364 O  OG1  . THR   A 83  ? 0.3565 0.3138 0.2315 -0.0392 0.0527  -0.0227 83  THR   A OG1  
1365 C  CG2  . THR   A 83  ? 0.3222 0.2942 0.2260 -0.0123 0.0271  -0.0366 83  THR   A CG2  
1366 H  H    . THR   A 83  ? 0.2218 0.2226 0.2030 -0.0193 -0.0082 -0.0086 83  THR   A H    
1367 H  HA   . THR   A 83  ? 0.2564 0.2388 0.2357 -0.0073 0.0120  -0.0123 83  THR   A HA   
1368 H  HB   . THR   A 83  ? 0.2962 0.2657 0.2387 -0.0014 0.0139  -0.0169 83  THR   A HB   
1369 H  HG1  . THR   A 83  ? 0.2840 0.2840 0.2840 0.0000  0.0000  0.0000  83  THR   A HG1  
1370 H  HG21 . THR   A 83  ? 0.2991 0.2691 0.2532 -0.0128 0.0301  -0.0107 83  THR   A HG21 
1371 H  HG22 . THR   A 83  ? 0.3047 0.2603 0.2464 -0.0117 0.0211  -0.0184 83  THR   A HG22 
1372 H  HG23 . THR   A 83  ? 0.3083 0.2895 0.2497 -0.0159 0.0202  -0.0234 83  THR   A HG23 
1373 N  N    . SER   A 84  ? 0.2739 0.2657 0.1935 -0.0129 -0.0190 -0.0496 84  SER   A N    
1374 C  CA   . SER   A 84  ? 0.2641 0.3008 0.2326 -0.0020 0.0196  -0.0431 84  SER   A CA   
1375 C  C    . SER   A 84  ? 0.2504 0.2555 0.2433 0.0198  -0.0136 -0.0335 84  SER   A C    
1376 O  O    . SER   A 84  ? 0.2843 0.3483 0.2773 0.0441  -0.0417 -0.0490 84  SER   A O    
1377 C  CB   . SER   A 84  ? 0.3033 0.3416 0.2728 -0.0190 0.0244  -0.0189 84  SER   A CB   
1378 O  OG   . SER   A 84  ? 0.4229 0.4496 0.3178 -0.0296 0.0247  -0.0713 84  SER   A OG   
1379 H  H    . SER   A 84  ? 0.2691 0.2685 0.2207 -0.0092 -0.0060 -0.0296 84  SER   A H    
1380 H  HA   . SER   A 84  ? 0.2792 0.2815 0.2409 -0.0056 0.0031  -0.0328 84  SER   A HA   
1381 H  HB2  . SER   A 84  ? 0.3149 0.3231 0.2697 -0.0188 0.0193  -0.0246 84  SER   A HB2  
1382 H  HB3  . SER   A 84  ? 0.2968 0.3305 0.2768 -0.0040 0.0178  -0.0264 84  SER   A HB3  
1383 H  HG   . SER   A 84  ? 0.3392 0.3392 0.3392 0.0000  0.0000  0.0000  84  SER   A HG   
1384 N  N    . THR   A 85  ? 0.1946 0.2314 0.1646 -0.0180 0.0029  -0.0020 85  THR   A N    
1385 C  CA   . THR   A 85  ? 0.1720 0.2014 0.1711 -0.0166 0.0130  -0.0014 85  THR   A CA   
1386 C  C    . THR   A 85  ? 0.1633 0.1892 0.1565 -0.0126 -0.0010 -0.0058 85  THR   A C    
1387 O  O    . THR   A 85  ? 0.1676 0.1963 0.1517 -0.0145 -0.0142 -0.0069 85  THR   A O    
1388 C  CB   . THR   A 85  ? 0.1798 0.2119 0.1699 -0.0203 0.0076  0.0035  85  THR   A CB   
1389 O  OG1  . THR   A 85  ? 0.1741 0.2029 0.1592 -0.0289 0.0133  0.0318  85  THR   A OG1  
1390 C  CG2  . THR   A 85  ? 0.1995 0.2258 0.1924 -0.0299 0.0072  0.0261  85  THR   A CG2  
1391 H  H    . THR   A 85  ? 0.2026 0.2249 0.1906 -0.0041 -0.0031 -0.0042 85  THR   A H    
1392 H  HA   . THR   A 85  ? 0.1783 0.2062 0.1742 -0.0136 -0.0012 -0.0039 85  THR   A HA   
1393 H  HB   . THR   A 85  ? 0.1810 0.1986 0.1823 -0.0178 0.0038  0.0005  85  THR   A HB   
1394 H  HG1  . THR   A 85  ? 0.1842 0.1842 0.1842 0.0000  0.0000  0.0000  85  THR   A HG1  
1395 H  HG21 . THR   A 85  ? 0.2003 0.2159 0.1914 -0.0197 0.0040  0.0109  85  THR   A HG21 
1396 H  HG22 . THR   A 85  ? 0.2027 0.2211 0.1917 -0.0247 0.0055  0.0074  85  THR   A HG22 
1397 H  HG23 . THR   A 85  ? 0.1992 0.2196 0.2051 -0.0145 0.0037  0.0096  85  THR   A HG23 
1398 N  N    . LEU   A 86  ? 0.1615 0.1771 0.1431 -0.0105 0.0027  0.0043  86  LEU   A N    
1399 C  CA   . LEU   A 86  ? 0.1665 0.1478 0.1303 -0.0126 -0.0068 0.0042  86  LEU   A CA   
1400 C  C    . LEU   A 86  ? 0.1487 0.1473 0.1376 -0.0103 0.0026  0.0195  86  LEU   A C    
1401 O  O    . LEU   A 86  ? 0.1419 0.1508 0.1267 -0.0160 0.0083  0.0213  86  LEU   A O    
1402 C  CB   . LEU   A 86  ? 0.1841 0.1804 0.1513 0.0090  -0.0104 0.0108  86  LEU   A CB   
1403 C  CG   . LEU   A 86  ? 0.2194 0.1935 0.2187 0.0235  -0.0160 0.0040  86  LEU   A CG   
1404 C  CD1  . LEU   A 86  ? 0.2630 0.2298 0.2240 0.0434  -0.0067 0.0156  86  LEU   A CD1  
1405 C  CD2  . LEU   A 86  ? 0.2643 0.1998 0.2383 0.0036  -0.0189 -0.0018 86  LEU   A CD2  
1406 H  H    . LEU   A 86  ? 0.1657 0.1693 0.1580 -0.0107 -0.0028 -0.0038 86  LEU   A H    
1407 H  HA   . LEU   A 86  ? 0.1548 0.1557 0.1562 -0.0110 -0.0107 0.0003  86  LEU   A HA   
1408 H  HB2  . LEU   A 86  ? 0.1820 0.1783 0.1674 0.0034  -0.0052 0.0075  86  LEU   A HB2  
1409 H  HB3  . LEU   A 86  ? 0.1786 0.1736 0.1702 0.0025  -0.0049 0.0076  86  LEU   A HB3  
1410 H  HG   . LEU   A 86  ? 0.2206 0.2022 0.2124 0.0188  -0.0133 0.0041  86  LEU   A HG   
1411 H  HD11 . LEU   A 86  ? 0.2479 0.2417 0.2420 0.0218  0.0040  0.0173  86  LEU   A HD11 
1412 H  HD12 . LEU   A 86  ? 0.2388 0.2197 0.2266 0.0114  -0.0023 0.0033  86  LEU   A HD12 
1413 H  HD13 . LEU   A 86  ? 0.2409 0.2252 0.2320 0.0242  -0.0106 0.0070  86  LEU   A HD13 
1414 H  HD21 . LEU   A 86  ? 0.2436 0.2065 0.2412 0.0129  -0.0176 -0.0032 86  LEU   A HD21 
1415 H  HD22 . LEU   A 86  ? 0.2318 0.2095 0.2262 0.0031  -0.0101 -0.0035 86  LEU   A HD22 
1416 H  HD23 . LEU   A 86  ? 0.2283 0.2045 0.2186 0.0000  -0.0065 -0.0082 86  LEU   A HD23 
1417 N  N    . HIS   A 87  ? 0.1388 0.1395 0.1266 -0.0194 0.0013  0.0111  87  HIS   A N    
1418 C  CA   . HIS   A 87  ? 0.1325 0.1352 0.1298 -0.0167 -0.0107 0.0190  87  HIS   A CA   
1419 C  C    . HIS   A 87  ? 0.1303 0.1066 0.1388 -0.0108 -0.0046 0.0152  87  HIS   A C    
1420 O  O    . HIS   A 87  ? 0.1467 0.1500 0.1286 -0.0309 -0.0016 0.0187  87  HIS   A O    
1421 C  CB   . HIS   A 87  ? 0.1523 0.1438 0.1491 -0.0029 -0.0057 0.0305  87  HIS   A CB   
1422 C  CG   . HIS   A 87  ? 0.1798 0.1559 0.1807 -0.0260 0.0060  0.0251  87  HIS   A CG   
1423 N  ND1  . HIS   A 87  ? 0.2177 0.1792 0.2159 -0.0121 -0.0185 0.0652  87  HIS   A ND1  
1424 C  CD2  . HIS   A 87  ? 0.1685 0.1847 0.2072 -0.0306 -0.0014 0.0145  87  HIS   A CD2  
1425 C  CE1  . HIS   A 87  ? 0.2131 0.2142 0.2375 -0.0198 -0.0178 0.0451  87  HIS   A CE1  
1426 N  NE2  . HIS   A 87  ? 0.1623 0.1752 0.2119 -0.0229 -0.0066 0.0231  87  HIS   A NE2  
1427 H  H    . HIS   A 87  ? 0.1368 0.1425 0.1306 -0.0146 0.0014  0.0134  87  HIS   A H    
1428 H  HA   . HIS   A 87  ? 0.1379 0.1343 0.1339 -0.0123 -0.0105 0.0102  87  HIS   A HA   
1429 H  HB2  . HIS   A 87  ? 0.1533 0.1463 0.1563 -0.0074 -0.0040 0.0152  87  HIS   A HB2  
1430 H  HB3  . HIS   A 87  ? 0.1560 0.1490 0.1515 -0.0035 -0.0010 0.0178  87  HIS   A HB3  
1431 H  HD1  . HIS   A 87  ? 0.1809 0.1777 0.1792 0.0037  0.0011  0.0336  87  HIS   A HD1  
1432 H  HD2  . HIS   A 87  ? 0.1701 0.1808 0.1888 -0.0209 0.0003  0.0034  87  HIS   A HD2  
1433 H  HE1  . HIS   A 87  ? 0.2005 0.1943 0.2230 -0.0107 -0.0177 0.0255  87  HIS   A HE1  
1434 H  HE2  . HIS   A 87  ? 0.1757 0.1845 0.1959 -0.0220 -0.0109 0.0206  87  HIS   A HE2  
1435 N  N    . HIS   A 88  ? 0.1377 0.1214 0.1297 -0.0185 -0.0070 0.0177  88  HIS   A N    
1436 C  CA   . HIS   A 88  ? 0.1335 0.1328 0.1346 -0.0135 0.0044  0.0183  88  HIS   A CA   
1437 C  C    . HIS   A 88  ? 0.1301 0.1306 0.1313 -0.0142 -0.0100 0.0165  88  HIS   A C    
1438 O  O    . HIS   A 88  ? 0.1375 0.1275 0.1233 -0.0228 -0.0155 0.0225  88  HIS   A O    
1439 C  CB   . HIS   A 88  ? 0.1601 0.1476 0.1374 -0.0124 -0.0009 0.0203  88  HIS   A CB   
1440 C  CG   . HIS   A 88  ? 0.1614 0.1557 0.1711 -0.0187 -0.0183 0.0227  88  HIS   A CG   
1441 N  ND1  . HIS   A 88  ? 0.2258 0.1872 0.1998 -0.0258 0.0051  0.0181  88  HIS   A ND1  
1442 C  CD2  . HIS   A 88  ? 0.1756 0.1557 0.1581 0.0000  0.0002  0.0287  88  HIS   A CD2  
1443 C  CE1  . HIS   A 88  ? 0.1968 0.1743 0.1833 -0.0349 -0.0107 0.0443  88  HIS   A CE1  
1444 N  NE2  . HIS   A 88  ? 0.2367 0.1519 0.2430 -0.0250 -0.0073 0.0419  88  HIS   A NE2  
1445 H  H    . HIS   A 88  ? 0.1359 0.1289 0.1352 -0.0088 -0.0074 0.0072  88  HIS   A H    
1446 H  HA   . HIS   A 88  ? 0.1404 0.1368 0.1399 -0.0102 0.0035  0.0103  88  HIS   A HA   
1447 H  HB2  . HIS   A 88  ? 0.1531 0.1508 0.1523 -0.0120 -0.0007 0.0071  88  HIS   A HB2  
1448 H  HB3  . HIS   A 88  ? 0.1567 0.1475 0.1470 -0.0106 -0.0049 0.0140  88  HIS   A HB3  
1449 H  HD1  . HIS   A 88  ? 0.1975 0.1907 0.1984 -0.0224 -0.0037 0.0122  88  HIS   A HD1  
1450 H  HD2  . HIS   A 88  ? 0.1766 0.1587 0.1648 -0.0041 0.0072  0.0234  88  HIS   A HD2  
1451 H  HE1  . HIS   A 88  ? 0.2266 0.1401 0.1400 -0.0386 0.0000  0.0383  88  HIS   A HE1  
1452 H  HE2  . HIS   A 88  ? 0.2035 0.1820 0.1955 -0.0193 -0.0067 0.0094  88  HIS   A HE2  
1453 N  N    . ASP   A 89  ? 0.1298 0.1229 0.1251 -0.0144 -0.0051 0.0217  89  ASP   A N    
1454 C  CA   . ASP   A 89  ? 0.1187 0.1163 0.1258 -0.0121 -0.0033 0.0059  89  ASP   A CA   
1455 C  C    . ASP   A 89  ? 0.1173 0.1312 0.1248 -0.0200 -0.0011 0.0148  89  ASP   A C    
1456 O  O    . ASP   A 89  ? 0.1369 0.1954 0.1442 -0.0227 -0.0022 0.0437  89  ASP   A O    
1457 C  CB   . ASP   A 89  ? 0.1156 0.1148 0.1199 -0.0102 0.0001  0.0071  89  ASP   A CB   
1458 C  CG   . ASP   A 89  ? 0.0997 0.1129 0.1055 -0.0123 0.0020  0.0019  89  ASP   A CG   
1459 O  OD1  . ASP   A 89  ? 0.1166 0.1237 0.1202 -0.0239 -0.0161 0.0035  89  ASP   A OD1  
1460 O  OD2  . ASP   A 89  ? 0.1093 0.1076 0.1062 -0.0224 -0.0034 0.0101  89  ASP   A OD2  
1461 H  H    . ASP   A 89  ? 0.1269 0.1239 0.1275 -0.0049 -0.0064 0.0122  89  ASP   A H    
1462 H  HA   . ASP   A 89  ? 0.1208 0.1214 0.1246 -0.0104 -0.0043 0.0053  89  ASP   A HA   
1463 H  HB2  . ASP   A 89  ? 0.1139 0.1166 0.1157 -0.0063 0.0008  0.0046  89  ASP   A HB2  
1464 H  HB3  . ASP   A 89  ? 0.1153 0.1194 0.1201 -0.0079 0.0001  0.0047  89  ASP   A HB3  
1465 N  N    . ILE   A 90  ? 0.1143 0.1045 0.1133 0.0050  0.0036  0.0191  90  ILE   A N    
1466 C  CA   . ILE   A 90  ? 0.1115 0.1093 0.1093 -0.0097 0.0000  0.0220  90  ILE   A CA   
1467 C  C    . ILE   A 90  ? 0.1108 0.1188 0.1145 -0.0043 -0.0006 0.0089  90  ILE   A C    
1468 O  O    . ILE   A 90  ? 0.1172 0.1359 0.1218 -0.0184 -0.0069 0.0256  90  ILE   A O    
1469 C  CB   . ILE   A 90  ? 0.1209 0.1228 0.1152 -0.0024 -0.0030 0.0083  90  ILE   A CB   
1470 C  CG1  . ILE   A 90  ? 0.1272 0.1241 0.1341 -0.0020 0.0085  0.0142  90  ILE   A CG1  
1471 C  CG2  . ILE   A 90  ? 0.1454 0.1251 0.1371 -0.0035 -0.0008 0.0206  90  ILE   A CG2  
1472 C  CD1  . ILE   A 90  ? 0.1460 0.1334 0.1425 0.0028  0.0074  0.0064  90  ILE   A CD1  
1473 H  H    . ILE   A 90  ? 0.1152 0.1137 0.1131 -0.0025 0.0006  0.0151  90  ILE   A H    
1474 H  HA   . ILE   A 90  ? 0.1137 0.1060 0.1049 0.0001  0.0000  0.0120  90  ILE   A HA   
1475 H  HB   . ILE   A 90  ? 0.1206 0.1225 0.1222 -0.0030 -0.0041 0.0097  90  ILE   A HB   
1476 H  HG12 . ILE   A 90  ? 0.1321 0.1278 0.1314 0.0013  0.0027  0.0081  90  ILE   A HG12 
1477 H  HG13 . ILE   A 90  ? 0.1284 0.1247 0.1257 0.0009  0.0044  0.0064  90  ILE   A HG13 
1478 H  HG21 . ILE   A 90  ? 0.1370 0.1269 0.1354 -0.0010 -0.0042 0.0115  90  ILE   A HG21 
1479 H  HG22 . ILE   A 90  ? 0.1361 0.1357 0.1346 -0.0022 -0.0005 0.0087  90  ILE   A HG22 
1480 H  HG23 . ILE   A 90  ? 0.1383 0.1295 0.1354 0.0023  0.0016  0.0118  90  ILE   A HG23 
1481 H  HD11 . ILE   A 90  ? 0.1440 0.1361 0.1417 0.0039  0.0048  0.0065  90  ILE   A HD11 
1482 H  HD12 . ILE   A 90  ? 0.1379 0.1339 0.1379 0.0000  0.0006  0.0049  90  ILE   A HD12 
1483 H  HD13 . ILE   A 90  ? 0.1389 0.1356 0.1381 0.0004  0.0052  0.0046  90  ILE   A HD13 
1484 N  N    . MET   A 91  ? 0.1027 0.1048 0.1141 -0.0009 -0.0087 0.0105  91  MET   A N    
1485 C  CA   . MET   A 91  ? 0.1028 0.1185 0.1000 -0.0022 -0.0130 0.0129  91  MET   A CA   
1486 C  C    . MET   A 91  ? 0.1099 0.1217 0.1081 -0.0067 -0.0048 0.0059  91  MET   A C    
1487 O  O    . MET   A 91  ? 0.1065 0.1230 0.1067 -0.0067 -0.0091 0.0068  91  MET   A O    
1488 C  CB   . MET   A 91  ? 0.1089 0.1195 0.1245 -0.0068 0.0037  0.0078  91  MET   A CB   
1489 C  CG   . MET   A 91  ? 0.1080 0.1232 0.1221 -0.0050 -0.0045 0.0143  91  MET   A CG   
1490 S  SD   . MET   A 91  ? 0.1294 0.1460 0.1247 -0.0103 -0.0002 -0.0054 91  MET   A SD   
1491 C  CE   . MET   A 91  ? 0.1287 0.1562 0.1362 0.0014  0.0010  -0.0081 91  MET   A CE   
1492 H  H    . MET   A 91  ? 0.1066 0.1117 0.1110 -0.0018 -0.0050 0.0058  91  MET   A H    
1493 H  HA   . MET   A 91  ? 0.1094 0.1077 0.0988 0.0034  -0.0062 0.0099  91  MET   A HA   
1494 H  HB2  . MET   A 91  ? 0.1107 0.1186 0.1144 -0.0034 -0.0009 0.0076  91  MET   A HB2  
1495 H  HB3  . MET   A 91  ? 0.1136 0.1211 0.1190 -0.0034 0.0025  0.0037  91  MET   A HB3  
1496 H  HG2  . MET   A 91  ? 0.1137 0.1224 0.1180 -0.0053 -0.0009 0.0074  91  MET   A HG2  
1497 H  HG3  . MET   A 91  ? 0.1129 0.1219 0.1178 0.0043  -0.0040 0.0087  91  MET   A HG3  
1498 H  HE1  . MET   A 91  ? 0.1358 0.1422 0.1336 -0.0005 0.0016  -0.0031 91  MET   A HE1  
1499 H  HE2  . MET   A 91  ? 0.1336 0.1425 0.1356 -0.0027 -0.0012 -0.0012 91  MET   A HE2  
1500 H  HE3  . MET   A 91  ? 0.1353 0.1453 0.1368 -0.0016 0.0013  -0.0042 91  MET   A HE3  
1501 N  N    . LEU   A 92  ? 0.1089 0.1154 0.1123 -0.0057 -0.0029 0.0186  92  LEU   A N    
1502 C  CA   . LEU   A 92  ? 0.1073 0.1132 0.1103 -0.0060 0.0022  0.0036  92  LEU   A CA   
1503 C  C    . LEU   A 92  ? 0.1036 0.1094 0.1103 0.0015  0.0098  -0.0026 92  LEU   A C    
1504 O  O    . LEU   A 92  ? 0.1224 0.1382 0.1135 -0.0080 -0.0120 0.0103  92  LEU   A O    
1505 C  CB   . LEU   A 92  ? 0.1210 0.1277 0.1207 0.0063  -0.0020 0.0138  92  LEU   A CB   
1506 C  CG   . LEU   A 92  ? 0.1451 0.1247 0.1514 0.0037  -0.0069 0.0044  92  LEU   A CG   
1507 C  CD1  . LEU   A 92  ? 0.1727 0.1432 0.1871 0.0202  -0.0042 0.0228  92  LEU   A CD1  
1508 C  CD2  . LEU   A 92  ? 0.1352 0.1395 0.1460 -0.0002 0.0023  -0.0141 92  LEU   A CD2  
1509 H  H    . LEU   A 92  ? 0.1095 0.1128 0.1068 -0.0017 -0.0014 0.0092  92  LEU   A H    
1510 H  HA   . LEU   A 92  ? 0.1114 0.1173 0.1125 -0.0016 0.0003  0.0048  92  LEU   A HA   
1511 H  HB2  . LEU   A 92  ? 0.1252 0.1211 0.1194 0.0028  -0.0017 0.0085  92  LEU   A HB2  
1512 H  HB3  . LEU   A 92  ? 0.1257 0.1244 0.1248 0.0009  -0.0009 0.0056  92  LEU   A HB3  
1513 H  HG   . LEU   A 92  ? 0.1426 0.1341 0.1488 0.0064  -0.0037 0.0048  92  LEU   A HG   
1514 H  HD11 . LEU   A 92  ? 0.1629 0.1500 0.1653 0.0155  -0.0112 0.0040  92  LEU   A HD11 
1515 H  HD12 . LEU   A 92  ? 0.1620 0.1630 0.1748 0.0170  -0.0042 0.0150  92  LEU   A HD12 
1516 H  HD13 . LEU   A 92  ? 0.1690 0.1482 0.1679 0.0192  -0.0043 0.0118  92  LEU   A HD13 
1517 H  HD21 . LEU   A 92  ? 0.1379 0.1364 0.1425 -0.0023 0.0000  -0.0058 92  LEU   A HD21 
1518 H  HD22 . LEU   A 92  ? 0.1394 0.1345 0.1374 -0.0011 0.0003  -0.0053 92  LEU   A HD22 
1519 H  HD23 . LEU   A 92  ? 0.1390 0.1398 0.1405 -0.0018 0.0000  -0.0054 92  LEU   A HD23 
1520 N  N    . LEU   A 93  ? 0.1128 0.1131 0.1051 -0.0029 -0.0018 0.0035  93  LEU   A N    
1521 C  CA   . LEU   A 93  ? 0.1080 0.1212 0.1091 -0.0083 -0.0038 0.0012  93  LEU   A CA   
1522 C  C    . LEU   A 93  ? 0.1113 0.1122 0.1044 0.0039  0.0067  -0.0004 93  LEU   A C    
1523 O  O    . LEU   A 93  ? 0.1042 0.1334 0.1066 -0.0020 0.0052  -0.0111 93  LEU   A O    
1524 C  CB   . LEU   A 93  ? 0.1082 0.1180 0.1058 -0.0078 -0.0023 -0.0064 93  LEU   A CB   
1525 C  CG   . LEU   A 93  ? 0.1046 0.1242 0.1294 -0.0077 -0.0056 -0.0051 93  LEU   A CG   
1526 C  CD1  . LEU   A 93  ? 0.1178 0.1368 0.1319 0.0042  -0.0065 -0.0036 93  LEU   A CD1  
1527 C  CD2  . LEU   A 93  ? 0.1209 0.1358 0.1314 0.0034  -0.0026 -0.0090 93  LEU   A CD2  
1528 H  H    . LEU   A 93  ? 0.1091 0.1131 0.1061 -0.0023 -0.0014 0.0000  93  LEU   A H    
1529 H  HA   . LEU   A 93  ? 0.1105 0.1168 0.1099 -0.0035 -0.0002 -0.0006 93  LEU   A HA   
1530 H  HB2  . LEU   A 93  ? 0.1079 0.1177 0.1082 -0.0057 0.0015  -0.0039 93  LEU   A HB2  
1531 H  HB3  . LEU   A 93  ? 0.1089 0.1127 0.1119 -0.0054 -0.0018 -0.0037 93  LEU   A HB3  
1532 H  HG   . LEU   A 93  ? 0.1124 0.1170 0.1231 -0.0032 -0.0033 -0.0037 93  LEU   A HG   
1533 H  HD11 . LEU   A 93  ? 0.1183 0.1305 0.1309 0.0007  -0.0053 -0.0016 93  LEU   A HD11 
1534 H  HD12 . LEU   A 93  ? 0.1212 0.1304 0.1291 0.0011  -0.0005 -0.0023 93  LEU   A HD12 
1535 H  HD13 . LEU   A 93  ? 0.1200 0.1307 0.1305 0.0026  -0.0020 0.0012  93  LEU   A HD13 
1536 H  HD21 . LEU   A 93  ? 0.1209 0.1276 0.1291 0.0013  0.0002  -0.0016 93  LEU   A HD21 
1537 H  HD22 . LEU   A 93  ? 0.1208 0.1295 0.1289 0.0011  -0.0012 -0.0052 93  LEU   A HD22 
1538 H  HD23 . LEU   A 93  ? 0.1190 0.1309 0.1305 -0.0041 -0.0016 -0.0074 93  LEU   A HD23 
1539 N  N    . LYS   A 94  ? 0.1079 0.1148 0.1058 0.0003  0.0080  -0.0005 94  LYS   A N    
1540 C  CA   . LYS   A 94  ? 0.1133 0.1221 0.1132 0.0019  0.0131  0.0067  94  LYS   A CA   
1541 C  C    . LYS   A 94  ? 0.0969 0.1205 0.1052 -0.0020 -0.0049 -0.0055 94  LYS   A C    
1542 O  O    . LYS   A 94  ? 0.1019 0.1315 0.1102 0.0030  0.0000  -0.0065 94  LYS   A O    
1543 C  CB   . LYS   A 94  ? 0.1344 0.1497 0.1330 0.0072  -0.0132 -0.0032 94  LYS   A CB   
1544 C  CG   . LYS   A 94  ? 0.1339 0.1619 0.1473 -0.0064 -0.0072 0.0005  94  LYS   A CG   
1545 C  CD   . LYS   A 94  ? 0.1652 0.1767 0.1683 0.0143  -0.0187 -0.0001 94  LYS   A CD   
1546 C  CE   . LYS   A 94  ? 0.1719 0.2010 0.1927 0.0037  -0.0081 0.0066  94  LYS   A CE   
1547 N  NZ   . LYS   A 94  ? 0.2009 0.2446 0.2436 0.0197  -0.0524 0.0105  94  LYS   A NZ   
1548 H  H    . LYS   A 94  ? 0.1106 0.1158 0.1078 0.0008  0.0093  0.0010  94  LYS   A H    
1549 H  HA   . LYS   A 94  ? 0.1130 0.1217 0.1167 0.0025  0.0037  0.0003  94  LYS   A HA   
1550 H  HB2  . LYS   A 94  ? 0.1341 0.1461 0.1341 0.0082  -0.0055 -0.0045 94  LYS   A HB2  
1551 H  HB3  . LYS   A 94  ? 0.1303 0.1397 0.1342 0.0030  -0.0045 -0.0004 94  LYS   A HB3  
1552 H  HG2  . LYS   A 94  ? 0.1432 0.1524 0.1468 0.0032  -0.0094 -0.0014 94  LYS   A HG2  
1553 H  HG3  . LYS   A 94  ? 0.1433 0.1568 0.1492 0.0011  -0.0093 0.0004  94  LYS   A HG3  
1554 H  HD2  . LYS   A 94  ? 0.1619 0.1769 0.1673 0.0100  -0.0105 -0.0005 94  LYS   A HD2  
1555 H  HD3  . LYS   A 94  ? 0.1602 0.1739 0.1685 0.0061  -0.0099 0.0008  94  LYS   A HD3  
1556 H  HE2  . LYS   A 94  ? 0.1814 0.1934 0.1931 0.0096  -0.0143 0.0031  94  LYS   A HE2  
1557 H  HE3  . LYS   A 94  ? 0.1793 0.2002 0.1914 0.0067  -0.0139 0.0050  94  LYS   A HE3  
1558 H  HZ1  . LYS   A 94  ? 0.2102 0.2375 0.2296 0.0223  -0.0265 0.0034  94  LYS   A HZ1  
1559 H  HZ2  . LYS   A 94  ? 0.2249 0.2273 0.2270 0.0135  -0.0240 0.0079  94  LYS   A HZ2  
1560 H  HZ3  . LYS   A 94  ? 0.2023 0.2332 0.2339 0.0127  -0.0263 0.0170  94  LYS   A HZ3  
1561 N  N    . LEU   A 95  ? 0.0996 0.1294 0.1095 0.0055  0.0074  -0.0014 95  LEU   A N    
1562 C  CA   . LEU   A 95  ? 0.1186 0.1285 0.1190 0.0059  0.0113  -0.0136 95  LEU   A CA   
1563 C  C    . LEU   A 95  ? 0.1280 0.1240 0.1250 0.0031  0.0005  0.0034  95  LEU   A C    
1564 O  O    . LEU   A 95  ? 0.1168 0.1482 0.1335 0.0088  -0.0073 -0.0083 95  LEU   A O    
1565 C  CB   . LEU   A 95  ? 0.1103 0.1228 0.1219 -0.0016 0.0116  -0.0020 95  LEU   A CB   
1566 C  CG   . LEU   A 95  ? 0.1100 0.1308 0.1292 0.0031  0.0066  -0.0080 95  LEU   A CG   
1567 C  CD1  . LEU   A 95  ? 0.1270 0.1376 0.1329 -0.0013 -0.0040 -0.0133 95  LEU   A CD1  
1568 C  CD2  . LEU   A 95  ? 0.1173 0.1428 0.1386 0.0165  -0.0017 -0.0141 95  LEU   A CD2  
1569 H  H    . LEU   A 95  ? 0.1078 0.1196 0.1141 0.0034  0.0036  -0.0014 95  LEU   A H    
1570 H  HA   . LEU   A 95  ? 0.1119 0.1196 0.1238 0.0087  0.0072  -0.0075 95  LEU   A HA   
1571 H  HB2  . LEU   A 95  ? 0.1154 0.1230 0.1218 0.0046  0.0066  -0.0042 95  LEU   A HB2  
1572 H  HB3  . LEU   A 95  ? 0.1152 0.1222 0.1228 0.0005  0.0080  -0.0033 95  LEU   A HB3  
1573 H  HG   . LEU   A 95  ? 0.1157 0.1289 0.1283 0.0049  0.0035  -0.0077 95  LEU   A HG   
1574 H  HD11 . LEU   A 95  ? 0.1279 0.1326 0.1307 -0.0001 -0.0030 -0.0075 95  LEU   A HD11 
1575 H  HD12 . LEU   A 95  ? 0.1252 0.1329 0.1295 -0.0015 -0.0010 -0.0086 95  LEU   A HD12 
1576 H  HD13 . LEU   A 95  ? 0.1246 0.1357 0.1307 0.0022  -0.0012 -0.0100 95  LEU   A HD13 
1577 H  HD21 . LEU   A 95  ? 0.1204 0.1397 0.1340 0.0118  0.0009  -0.0063 95  LEU   A HD21 
1578 H  HD22 . LEU   A 95  ? 0.1244 0.1359 0.1297 0.0060  0.0000  -0.0087 95  LEU   A HD22 
1579 H  HD23 . LEU   A 95  ? 0.1202 0.1391 0.1398 0.0103  0.0003  -0.0114 95  LEU   A HD23 
1580 N  N    . LYS   A 96  ? 0.1218 0.1413 0.1158 0.0157  -0.0014 -0.0220 96  LYS   A N    
1581 C  CA   . LYS   A 96  ? 0.1407 0.1475 0.1390 0.0047  -0.0130 -0.0250 96  LYS   A CA   
1582 C  C    . LYS   A 96  ? 0.1422 0.1558 0.1684 0.0161  -0.0043 -0.0286 96  LYS   A C    
1583 O  O    . LYS   A 96  ? 0.1437 0.1952 0.1676 0.0233  -0.0158 -0.0457 96  LYS   A O    
1584 C  CB   . LYS   A 96  ? 0.1622 0.1505 0.1431 0.0229  -0.0162 -0.0246 96  LYS   A CB   
1585 C  CG   . LYS   A 96  ? 0.1608 0.1400 0.1760 -0.0153 0.0036  -0.0388 96  LYS   A CG   
1586 C  CD   . LYS   A 96  ? 0.1745 0.1741 0.1831 0.0048  -0.0147 -0.0252 96  LYS   A CD   
1587 C  CE   . LYS   A 96  ? 0.1693 0.1707 0.1843 -0.0029 -0.0033 -0.0180 96  LYS   A CE   
1588 N  NZ   . LYS   A 96  ? 0.1432 0.1705 0.1592 0.0104  -0.0041 -0.0269 96  LYS   A NZ   
1589 H  H    . LYS   A 96  ? 0.1238 0.1268 0.1268 0.0076  -0.0026 -0.0130 96  LYS   A H    
1590 H  HA   . LYS   A 96  ? 0.1445 0.1528 0.1508 0.0071  -0.0110 -0.0129 96  LYS   A HA   
1591 H  HB2  . LYS   A 96  ? 0.1597 0.1494 0.1577 0.0060  -0.0079 -0.0195 96  LYS   A HB2  
1592 H  HB3  . LYS   A 96  ? 0.1560 0.1527 0.1559 0.0068  -0.0106 -0.0104 96  LYS   A HB3  
1593 H  HG2  . LYS   A 96  ? 0.1603 0.1444 0.1673 0.0031  -0.0037 -0.0271 96  LYS   A HG2  
1594 H  HG3  . LYS   A 96  ? 0.1577 0.1523 0.1666 0.0008  -0.0057 -0.0257 96  LYS   A HG3  
1595 H  HD2  . LYS   A 96  ? 0.1690 0.1708 0.1778 -0.0035 -0.0068 -0.0189 96  LYS   A HD2  
1596 H  HD3  . LYS   A 96  ? 0.1730 0.1629 0.1767 -0.0058 -0.0096 -0.0197 96  LYS   A HD3  
1597 H  HE2  . LYS   A 96  ? 0.1687 0.1721 0.1754 0.0000  -0.0056 -0.0165 96  LYS   A HE2  
1598 H  HE3  . LYS   A 96  ? 0.1650 0.1772 0.1809 0.0008  -0.0050 -0.0164 96  LYS   A HE3  
1599 H  HZ1  . LYS   A 96  ? 0.1501 0.1672 0.1568 0.0052  0.0016  -0.0167 96  LYS   A HZ1  
1600 H  HZ2  . LYS   A 96  ? 0.1490 0.1648 0.1551 -0.0017 -0.0006 -0.0156 96  LYS   A HZ2  
1601 H  HZ3  . LYS   A 96  ? 0.1522 0.1708 0.1686 0.0030  -0.0016 -0.0144 96  LYS   A HZ3  
1602 N  N    . GLU   A 97  ? 0.1332 0.1760 0.1578 -0.0069 0.0058  -0.0317 97  GLU   A N    
1603 C  CA   A GLU   A 97  ? 0.1482 0.1892 0.1494 -0.0098 0.0075  -0.0359 97  GLU   A CA   
1604 C  CA   B GLU   A 97  ? 0.1558 0.1767 0.1463 -0.0094 0.0070  -0.0259 97  GLU   A CA   
1605 C  C    . GLU   A 97  ? 0.1439 0.1826 0.1420 -0.0038 0.0068  -0.0305 97  GLU   A C    
1606 O  O    . GLU   A 97  ? 0.1409 0.2032 0.1461 -0.0022 0.0131  -0.0360 97  GLU   A O    
1607 C  CB   A GLU   A 97  ? 0.1770 0.1880 0.1777 -0.0020 0.0023  -0.0038 97  GLU   A CB   
1608 C  CB   B GLU   A 97  ? 0.1642 0.1932 0.1819 -0.0229 0.0217  -0.0014 97  GLU   A CB   
1609 C  CG   A GLU   A 97  ? 0.2245 0.2047 0.2008 -0.0153 0.0041  -0.0234 97  GLU   A CG   
1610 C  CG   B GLU   A 97  ? 0.1906 0.1919 0.2009 0.0101  0.0070  -0.0153 97  GLU   A CG   
1611 C  CD   A GLU   A 97  ? 0.2385 0.2559 0.2169 -0.0223 -0.0125 -0.0040 97  GLU   A CD   
1612 C  CD   B GLU   A 97  ? 0.2486 0.2101 0.2118 -0.0222 0.0031  -0.0037 97  GLU   A CD   
1613 O  OE1  A GLU   A 97  ? 0.2347 0.2742 0.2397 -0.0495 -0.0601 -0.0350 97  GLU   A OE1  
1614 O  OE1  B GLU   A 97  ? 0.2326 0.2339 0.2334 0.0018  -0.0284 -0.0145 97  GLU   A OE1  
1615 O  OE2  A GLU   A 97  ? 0.2601 0.3195 0.2637 -0.0144 -0.0062 -0.0338 97  GLU   A OE2  
1616 O  OE2  B GLU   A 97  ? 0.3042 0.2010 0.2842 -0.0107 0.0064  -0.0287 97  GLU   A OE2  
1617 H  H    . GLU   A 97  ? 0.1539 0.1683 0.1544 0.0020  -0.0036 -0.0208 97  GLU   A H    
1618 H  HA   A GLU   A 97  ? 0.1668 0.1844 0.1644 -0.0051 0.0009  -0.0213 97  GLU   A HA   
1619 H  HA   B GLU   A 97  ? 0.1620 0.1786 0.1569 -0.0042 0.0012  -0.0187 97  GLU   A HA   
1620 H  HB2  A GLU   A 97  ? 0.1797 0.1854 0.1782 -0.0003 -0.0020 -0.0057 97  GLU   A HB2  
1621 H  HB2  B GLU   A 97  ? 0.1794 0.1863 0.1754 -0.0084 0.0071  -0.0071 97  GLU   A HB2  
1622 H  HB3  A GLU   A 97  ? 0.1782 0.1880 0.1769 -0.0015 0.0007  -0.0093 97  GLU   A HB3  
1623 H  HB3  B GLU   A 97  ? 0.1642 0.1862 0.1677 -0.0084 0.0090  -0.0076 97  GLU   A HB3  
1624 H  HG2  A GLU   A 97  ? 0.2047 0.2037 0.2007 -0.0066 -0.0034 -0.0083 97  GLU   A HG2  
1625 H  HG2  B GLU   A 97  ? 0.1936 0.1951 0.1958 -0.0010 0.0022  -0.0049 97  GLU   A HG2  
1626 H  HG3  A GLU   A 97  ? 0.2116 0.2060 0.2012 -0.0009 0.0009  -0.0066 97  GLU   A HG3  
1627 H  HG3  B GLU   A 97  ? 0.1912 0.1950 0.1901 -0.0010 0.0038  -0.0052 97  GLU   A HG3  
1628 N  N    . LYS   A 98  ? 0.1257 0.1768 0.1373 -0.0074 0.0011  -0.0230 98  LYS   A N    
1629 C  CA   . LYS   A 98  ? 0.1287 0.1582 0.1311 -0.0123 0.0024  -0.0115 98  LYS   A CA   
1630 C  C    . LYS   A 98  ? 0.1354 0.1405 0.1424 -0.0098 0.0195  -0.0143 98  LYS   A C    
1631 O  O    . LYS   A 98  ? 0.1869 0.1590 0.1665 -0.0428 0.0224  -0.0057 98  LYS   A O    
1632 C  CB   . LYS   A 98  ? 0.1364 0.1929 0.1573 0.0000  -0.0005 -0.0308 98  LYS   A CB   
1633 C  CG   . LYS   A 98  ? 0.1798 0.1916 0.2245 0.0073  0.0031  -0.0138 98  LYS   A CG   
1634 C  CD   . LYS   A 98  ? 0.1930 0.2135 0.2272 0.0062  0.0101  -0.0207 98  LYS   A CD   
1635 C  CE   . LYS   A 98  ? 0.2238 0.2419 0.2316 0.0261  -0.0005 -0.0039 98  LYS   A CE   
1636 N  NZ   . LYS   A 98  ? 0.2231 0.2392 0.2260 0.0281  0.0014  0.0102  98  LYS   A NZ   
1637 H  H    . LYS   A 98  ? 0.1322 0.1706 0.1421 -0.0121 -0.0065 -0.0192 98  LYS   A H    
1638 H  HA   . LYS   A 98  ? 0.1377 0.1518 0.1446 -0.0092 0.0105  -0.0100 98  LYS   A HA   
1639 H  HB2  . LYS   A 98  ? 0.1534 0.1691 0.1632 -0.0063 -0.0008 -0.0180 98  LYS   A HB2  
1640 H  HB3  . LYS   A 98  ? 0.1458 0.1706 0.1545 -0.0038 -0.0006 -0.0183 98  LYS   A HB3  
1641 H  HG2  . LYS   A 98  ? 0.1847 0.1881 0.1947 0.0037  0.0048  -0.0131 98  LYS   A HG2  
1642 H  HG3  . LYS   A 98  ? 0.1774 0.1958 0.2066 0.0081  0.0153  -0.0030 98  LYS   A HG3  
1643 H  HD2  . LYS   A 98  ? 0.1991 0.2086 0.2213 0.0015  0.0062  -0.0113 98  LYS   A HD2  
1644 H  HD3  . LYS   A 98  ? 0.1992 0.2122 0.2150 0.0090  0.0124  -0.0043 98  LYS   A HD3  
1645 H  HE2  . LYS   A 98  ? 0.2299 0.2419 0.2351 0.0165  0.0024  -0.0051 98  LYS   A HE2  
1646 H  HE3  . LYS   A 98  ? 0.2192 0.2322 0.2257 0.0176  0.0071  -0.0012 98  LYS   A HE3  
1647 H  HZ1  . LYS   A 98  ? 0.2287 0.2359 0.2250 0.0168  0.0025  0.0032  98  LYS   A HZ1  
1648 H  HZ2  . LYS   A 98  ? 0.2227 0.2264 0.2251 0.0185  0.0010  -0.0015 98  LYS   A HZ2  
1649 H  HZ3  . LYS   A 98  ? 0.2237 0.2343 0.2259 0.0195  0.0039  0.0051  98  LYS   A HZ3  
1650 N  N    . ALA   A 99  ? 0.1288 0.1263 0.1255 0.0032  0.0182  -0.0077 99  ALA   A N    
1651 C  CA   . ALA   A 99  ? 0.1376 0.1321 0.1358 0.0149  0.0144  -0.0033 99  ALA   A CA   
1652 C  C    . ALA   A 99  ? 0.1188 0.1241 0.1354 0.0131  0.0074  -0.0111 99  ALA   A C    
1653 O  O    . ALA   A 99  ? 0.1202 0.1400 0.1507 0.0282  0.0051  -0.0145 99  ALA   A O    
1654 C  CB   . ALA   A 99  ? 0.1357 0.1445 0.1602 0.0052  0.0056  0.0158  99  ALA   A CB   
1655 H  H    . ALA   A 99  ? 0.1339 0.1310 0.1345 -0.0014 0.0129  -0.0048 99  ALA   A H    
1656 H  HA   . ALA   A 99  ? 0.1325 0.1313 0.1348 0.0096  0.0103  -0.0032 99  ALA   A HA   
1657 H  HB1  . ALA   A 99  ? 0.1418 0.1409 0.1452 0.0041  -0.0002 0.0065  99  ALA   A HB1  
1658 H  HB2  . ALA   A 99  ? 0.1385 0.1403 0.1427 0.0032  0.0055  0.0050  99  ALA   A HB2  
1659 H  HB3  . ALA   A 99  ? 0.1384 0.1477 0.1482 0.0013  0.0045  0.0088  99  ALA   A HB3  
1660 N  N    . SER   A 100 ? 0.1239 0.1357 0.1249 0.0139  0.0124  -0.0115 100 SER   A N    
1661 C  CA   . SER   A 100 ? 0.1145 0.1448 0.1209 0.0128  0.0117  -0.0189 100 SER   A CA   
1662 C  C    . SER   A 100 ? 0.1178 0.1378 0.1205 0.0021  0.0080  -0.0098 100 SER   A C    
1663 O  O    . SER   A 100 ? 0.1175 0.1443 0.1525 0.0061  0.0097  -0.0245 100 SER   A O    
1664 C  CB   . SER   A 100 ? 0.1299 0.1532 0.1369 -0.0040 0.0105  -0.0176 100 SER   A CB   
1665 O  OG   . SER   A 100 ? 0.1226 0.1536 0.1588 -0.0031 -0.0014 -0.0230 100 SER   A OG   
1666 H  H    . SER   A 100 ? 0.1232 0.1266 0.1290 0.0078  0.0083  -0.0083 100 SER   A H    
1667 H  HA   . SER   A 100 ? 0.1196 0.1332 0.1266 0.0105  0.0059  -0.0114 100 SER   A HA   
1668 H  HB2  . SER   A 100 ? 0.1355 0.1456 0.1365 -0.0006 0.0064  -0.0148 100 SER   A HB2  
1669 H  HB3  . SER   A 100 ? 0.1277 0.1470 0.1340 0.0002  0.0056  -0.0150 100 SER   A HB3  
1670 H  HG   . SER   A 100 ? 0.1427 0.1427 0.1427 0.0000  0.0000  0.0000  100 SER   A HG   
1671 N  N    . LEU   A 101 ? 0.1109 0.1459 0.1329 0.0145  0.0028  -0.0199 101 LEU   A N    
1672 C  CA   . LEU   A 101 ? 0.1035 0.1287 0.1205 0.0100  0.0140  -0.0165 101 LEU   A CA   
1673 C  C    . LEU   A 101 ? 0.1091 0.1311 0.1214 0.0015  0.0141  -0.0097 101 LEU   A C    
1674 O  O    . LEU   A 101 ? 0.1140 0.1533 0.1560 -0.0073 0.0246  -0.0011 101 LEU   A O    
1675 C  CB   . LEU   A 101 ? 0.1238 0.1353 0.1316 0.0176  0.0186  -0.0189 101 LEU   A CB   
1676 C  CG   . LEU   A 101 ? 0.1430 0.1465 0.1330 0.0115  0.0061  -0.0100 101 LEU   A CG   
1677 C  CD1  . LEU   A 101 ? 0.1406 0.1419 0.1484 0.0133  0.0115  -0.0062 101 LEU   A CD1  
1678 C  CD2  . LEU   A 101 ? 0.1425 0.1538 0.1452 0.0146  0.0025  0.0087  101 LEU   A CD2  
1679 H  H    . LEU   A 101 ? 0.1146 0.1354 0.1271 0.0147  0.0020  -0.0123 101 LEU   A H    
1680 H  HA   . LEU   A 101 ? 0.1147 0.1302 0.1240 -0.0019 0.0145  -0.0111 101 LEU   A HA   
1681 H  HB2  . LEU   A 101 ? 0.1287 0.1338 0.1291 0.0052  0.0102  -0.0131 101 LEU   A HB2  
1682 H  HB3  . LEU   A 101 ? 0.1275 0.1351 0.1339 0.0095  0.0126  -0.0119 101 LEU   A HB3  
1683 H  HG   . LEU   A 101 ? 0.1362 0.1420 0.1361 0.0089  0.0059  -0.0073 101 LEU   A HG   
1684 H  HD11 . LEU   A 101 ? 0.1414 0.1423 0.1437 0.0053  0.0043  -0.0055 101 LEU   A HD11 
1685 H  HD12 . LEU   A 101 ? 0.1418 0.1455 0.1464 0.0070  0.0064  -0.0039 101 LEU   A HD12 
1686 H  HD13 . LEU   A 101 ? 0.1450 0.1439 0.1470 0.0090  0.0082  -0.0035 101 LEU   A HD13 
1687 H  HD21 . LEU   A 101 ? 0.1452 0.1475 0.1465 0.0085  0.0032  0.0029  101 LEU   A HD21 
1688 H  HD22 . LEU   A 101 ? 0.1420 0.1428 0.1418 0.0071  0.0026  0.0011  101 LEU   A HD22 
1689 H  HD23 . LEU   A 101 ? 0.1412 0.1458 0.1425 0.0015  0.0015  0.0035  101 LEU   A HD23 
1690 N  N    . THR   A 102 ? 0.1042 0.1235 0.1051 0.0033  0.0180  -0.0105 102 THR   A N    
1691 C  CA   . THR   A 102 ? 0.1157 0.1260 0.1168 0.0065  0.0155  -0.0027 102 THR   A CA   
1692 C  C    . THR   A 102 ? 0.1193 0.1343 0.1206 0.0101  0.0183  -0.0044 102 THR   A C    
1693 O  O    . THR   A 102 ? 0.1346 0.1356 0.1224 -0.0027 0.0080  -0.0090 102 THR   A O    
1694 C  CB   . THR   A 102 ? 0.1167 0.1244 0.1342 -0.0060 0.0237  -0.0042 102 THR   A CB   
1695 O  OG1  . THR   A 102 ? 0.1095 0.1365 0.1210 -0.0086 0.0170  -0.0065 102 THR   A OG1  
1696 C  CG2  . THR   A 102 ? 0.1193 0.1298 0.1542 -0.0004 0.0199  -0.0127 102 THR   A CG2  
1697 H  H    . THR   A 102 ? 0.1094 0.1237 0.1150 -0.0041 0.0134  -0.0074 102 THR   A H    
1698 H  HA   . THR   A 102 ? 0.1142 0.1260 0.1152 0.0006  0.0103  -0.0045 102 THR   A HA   
1699 H  HB   . THR   A 102 ? 0.1202 0.1323 0.1319 -0.0034 0.0161  -0.0027 102 THR   A HB   
1700 H  HG1  . THR   A 102 ? 0.1241 0.1241 0.1241 0.0000  0.0000  0.0000  102 THR   A HG1  
1701 H  HG21 . THR   A 102 ? 0.1208 0.1340 0.1404 -0.0032 0.0145  -0.0059 102 THR   A HG21 
1702 H  HG22 . THR   A 102 ? 0.1215 0.1286 0.1421 0.0018  0.0142  -0.0053 102 THR   A HG22 
1703 H  HG23 . THR   A 102 ? 0.1209 0.1402 0.1472 -0.0013 0.0147  -0.0109 102 THR   A HG23 
1704 N  N    . LEU   A 103 ? 0.1268 0.1546 0.1162 -0.0178 0.0209  0.0058  103 LEU   A N    
1705 C  CA   . LEU   A 103 ? 0.1358 0.1458 0.1354 -0.0064 0.0072  -0.0116 103 LEU   A CA   
1706 C  C    . LEU   A 103 ? 0.1443 0.1390 0.1443 -0.0135 0.0152  -0.0101 103 LEU   A C    
1707 O  O    . LEU   A 103 ? 0.1612 0.1592 0.1410 -0.0201 0.0078  -0.0243 103 LEU   A O    
1708 C  CB   . LEU   A 103 ? 0.1521 0.1748 0.1459 -0.0024 0.0136  0.0014  103 LEU   A CB   
1709 C  CG   . LEU   A 103 ? 0.1777 0.1864 0.1666 -0.0189 -0.0011 0.0041  103 LEU   A CG   
1710 C  CD1  . LEU   A 103 ? 0.2112 0.2054 0.1744 -0.0115 0.0134  -0.0161 103 LEU   A CD1  
1711 C  CD2  . LEU   A 103 ? 0.2178 0.2183 0.1877 -0.0237 -0.0028 0.0293  103 LEU   A CD2  
1712 H  H    . LEU   A 103 ? 0.1272 0.1318 0.1260 -0.0043 0.0139  -0.0015 103 LEU   A H    
1713 H  HA   . LEU   A 103 ? 0.1412 0.1415 0.1387 -0.0037 0.0098  -0.0030 103 LEU   A HA   
1714 H  HB2  . LEU   A 103 ? 0.1483 0.1658 0.1444 -0.0059 0.0076  -0.0004 103 LEU   A HB2  
1715 H  HB3  . LEU   A 103 ? 0.1535 0.1655 0.1507 -0.0079 0.0049  0.0046  103 LEU   A HB3  
1716 H  HG   . LEU   A 103 ? 0.1756 0.1877 0.1707 -0.0120 -0.0010 0.0027  103 LEU   A HG   
1717 H  HD11 . LEU   A 103 ? 0.1891 0.1928 0.1895 -0.0065 0.0040  -0.0081 103 LEU   A HD11 
1718 H  HD12 . LEU   A 103 ? 0.1957 0.1943 0.1885 -0.0046 0.0060  -0.0062 103 LEU   A HD12 
1719 H  HD13 . LEU   A 103 ? 0.1949 0.1938 0.1839 -0.0085 -0.0029 -0.0067 103 LEU   A HD13 
1720 H  HD21 . LEU   A 103 ? 0.2038 0.2041 0.1956 -0.0144 -0.0080 0.0165  103 LEU   A HD21 
1721 H  HD22 . LEU   A 103 ? 0.2012 0.2062 0.1952 -0.0058 -0.0017 0.0167  103 LEU   A HD22 
1722 H  HD23 . LEU   A 103 ? 0.2055 0.2170 0.1991 -0.0205 -0.0041 0.0216  103 LEU   A HD23 
1723 N  N    . ALA   A 104 ? 0.1315 0.1280 0.1198 -0.0159 0.0093  -0.0022 104 ALA   A N    
1724 C  CA   . ALA   A 104 ? 0.1237 0.1349 0.1132 -0.0091 0.0001  0.0036  104 ALA   A CA   
1725 C  C    . ALA   A 104 ? 0.1160 0.1204 0.1171 0.0006  0.0073  0.0050  104 ALA   A C    
1726 O  O    . ALA   A 104 ? 0.1073 0.1230 0.1219 -0.0092 0.0068  0.0051  104 ALA   A O    
1727 C  CB   . ALA   A 104 ? 0.1281 0.1385 0.1275 -0.0058 0.0122  0.0049  104 ALA   A CB   
1728 H  H    . ALA   A 104 ? 0.1237 0.1239 0.1249 -0.0067 0.0055  -0.0043 104 ALA   A H    
1729 H  HA   . ALA   A 104 ? 0.1219 0.1311 0.1205 -0.0055 -0.0004 -0.0006 104 ALA   A HA   
1730 H  HB1  . ALA   A 104 ? 0.1270 0.1328 0.1268 -0.0039 0.0053  0.0015  104 ALA   A HB1  
1731 H  HB2  . ALA   A 104 ? 0.1230 0.1330 0.1216 -0.0032 0.0044  0.0031  104 ALA   A HB2  
1732 H  HB3  . ALA   A 104 ? 0.1313 0.1354 0.1286 0.0007  0.0043  0.0023  104 ALA   A HB3  
1733 N  N    . VAL   A 105 ? 0.0999 0.1249 0.0993 -0.0071 0.0110  0.0017  105 VAL   A N    
1734 C  CA   . VAL   A 105 ? 0.0991 0.1099 0.1030 -0.0042 -0.0041 -0.0013 105 VAL   A CA   
1735 C  C    . VAL   A 105 ? 0.1009 0.1164 0.1022 -0.0033 0.0033  -0.0058 105 VAL   A C    
1736 O  O    . VAL   A 105 ? 0.1093 0.1362 0.1163 -0.0073 0.0150  -0.0114 105 VAL   A O    
1737 C  CB   . VAL   A 105 ? 0.1020 0.1140 0.1056 -0.0155 0.0084  -0.0039 105 VAL   A CB   
1738 C  CG1  . VAL   A 105 ? 0.1173 0.1291 0.1102 0.0042  0.0026  -0.0055 105 VAL   A CG1  
1739 C  CG2  . VAL   A 105 ? 0.1062 0.1136 0.1181 -0.0161 0.0050  0.0002  105 VAL   A CG2  
1740 H  H    . VAL   A 105 ? 0.0997 0.1185 0.0989 -0.0044 0.0086  0.0009  105 VAL   A H    
1741 H  HA   . VAL   A 105 ? 0.1053 0.1129 0.1044 -0.0049 0.0030  -0.0013 105 VAL   A HA   
1742 H  HB   . VAL   A 105 ? 0.1003 0.1132 0.1077 -0.0098 0.0073  -0.0004 105 VAL   A HB   
1743 H  HG11 . VAL   A 105 ? 0.1148 0.1183 0.1109 -0.0008 0.0012  -0.0025 105 VAL   A HG11 
1744 H  HG12 . VAL   A 105 ? 0.1134 0.1185 0.1138 -0.0005 0.0025  -0.0012 105 VAL   A HG12 
1745 H  HG13 . VAL   A 105 ? 0.1182 0.1217 0.1117 0.0025  -0.0004 -0.0042 105 VAL   A HG13 
1746 H  HG21 . VAL   A 105 ? 0.1045 0.1112 0.1122 -0.0095 0.0057  0.0002  105 VAL   A HG21 
1747 H  HG22 . VAL   A 105 ? 0.1082 0.1137 0.1131 -0.0061 0.0032  -0.0009 105 VAL   A HG22 
1748 H  HG23 . VAL   A 105 ? 0.1063 0.1146 0.1143 -0.0103 0.0043  -0.0016 105 VAL   A HG23 
1749 N  N    . GLY   A 106 ? 0.1137 0.1155 0.1183 -0.0018 0.0127  -0.0029 106 GLY   A N    
1750 C  CA   . GLY   A 106 ? 0.1099 0.1109 0.1266 -0.0068 0.0084  -0.0095 106 GLY   A CA   
1751 C  C    . GLY   A 106 ? 0.1249 0.1419 0.1022 0.0008  0.0035  0.0047  106 GLY   A C    
1752 O  O    . GLY   A 106 ? 0.1228 0.1337 0.1213 -0.0051 0.0093  0.0054  106 GLY   A O    
1753 H  H    . GLY   A 106 ? 0.1112 0.1151 0.1132 -0.0030 0.0060  -0.0036 106 GLY   A H    
1754 H  HA2  . GLY   A 106 ? 0.1160 0.1193 0.1169 -0.0040 0.0014  -0.0040 106 GLY   A HA2  
1755 H  HA3  . GLY   A 106 ? 0.1153 0.1191 0.1193 -0.0032 0.0056  -0.0013 106 GLY   A HA3  
1756 N  N    . THR   A 107 ? 0.1333 0.1287 0.1250 0.0029  0.0213  -0.0131 107 THR   A N    
1757 C  CA   . THR   A 107 ? 0.1446 0.1261 0.1293 -0.0010 0.0142  -0.0148 107 THR   A CA   
1758 C  C    . THR   A 107 ? 0.1427 0.1438 0.1250 -0.0085 0.0176  -0.0181 107 THR   A C    
1759 O  O    . THR   A 107 ? 0.1750 0.1645 0.1294 -0.0099 0.0148  -0.0260 107 THR   A O    
1760 C  CB   . THR   A 107 ? 0.1555 0.1481 0.1480 0.0228  0.0202  -0.0125 107 THR   A CB   
1761 O  OG1  . THR   A 107 ? 0.1958 0.1921 0.1757 0.0497  0.0264  -0.0410 107 THR   A OG1  
1762 C  CG2  . THR   A 107 ? 0.1485 0.1847 0.1519 0.0348  -0.0029 -0.0166 107 THR   A CG2  
1763 H  H    . THR   A 107 ? 0.1259 0.1328 0.1235 0.0058  0.0096  -0.0068 107 THR   A H    
1764 H  HA   . THR   A 107 ? 0.1346 0.1354 0.1255 0.0073  0.0106  -0.0080 107 THR   A HA   
1765 H  HB   . THR   A 107 ? 0.1576 0.1552 0.1505 0.0111  0.0161  -0.0119 107 THR   A HB   
1766 H  HG1  . THR   A 107 ? 0.1747 0.1747 0.1747 0.0000  0.0000  0.0000  107 THR   A HG1  
1767 H  HG21 . THR   A 107 ? 0.1462 0.1535 0.1461 0.0172  0.0016  -0.0101 107 THR   A HG21 
1768 H  HG22 . THR   A 107 ? 0.1488 0.1605 0.1526 0.0141  -0.0074 -0.0025 107 THR   A HG22 
1769 H  HG23 . THR   A 107 ? 0.1628 0.1732 0.1657 0.0200  -0.0009 -0.0121 107 THR   A HG23 
1770 N  N    . LEU   A 108 ? 0.1714 0.1470 0.1481 -0.0245 0.0353  -0.0247 108 LEU   A N    
1771 C  CA   . LEU   A 108 ? 0.1953 0.1730 0.1736 -0.0324 0.0036  -0.0237 108 LEU   A CA   
1772 C  C    . LEU   A 108 ? 0.2152 0.1733 0.1918 -0.0077 0.0041  -0.0191 108 LEU   A C    
1773 O  O    . LEU   A 108 ? 0.2024 0.1608 0.2062 -0.0173 -0.0020 -0.0041 108 LEU   A O    
1774 C  CB   . LEU   A 108 ? 0.2105 0.1610 0.1993 -0.0037 -0.0259 -0.0238 108 LEU   A CB   
1775 C  CG   . LEU   A 108 ? 0.2213 0.1988 0.2376 -0.0287 -0.0299 -0.0220 108 LEU   A CG   
1776 C  CD1  . LEU   A 108 ? 0.2629 0.2192 0.2427 -0.0079 -0.0276 -0.0173 108 LEU   A CD1  
1777 C  CD2  . LEU   A 108 ? 0.2311 0.2042 0.2504 -0.0340 -0.0062 -0.0306 108 LEU   A CD2  
1778 H  H    . LEU   A 108 ? 0.1643 0.1500 0.1448 -0.0131 0.0201  -0.0211 108 LEU   A H    
1779 H  HA   . LEU   A 108 ? 0.1975 0.1753 0.1780 -0.0149 0.0076  -0.0207 108 LEU   A HA   
1780 H  HB2  . LEU   A 108 ? 0.1993 0.1844 0.1888 -0.0053 -0.0183 -0.0043 108 LEU   A HB2  
1781 H  HB3  . LEU   A 108 ? 0.2065 0.1799 0.2028 -0.0122 -0.0148 -0.0168 108 LEU   A HB3  
1782 H  HG   . LEU   A 108 ? 0.2238 0.2127 0.2266 -0.0111 -0.0211 -0.0149 108 LEU   A HG   
1783 H  HD11 . LEU   A 108 ? 0.2493 0.2263 0.2420 -0.0180 -0.0239 -0.0073 108 LEU   A HD11 
1784 H  HD12 . LEU   A 108 ? 0.2291 0.2179 0.2343 -0.0069 -0.0138 -0.0038 108 LEU   A HD12 
1785 H  HD13 . LEU   A 108 ? 0.2381 0.2258 0.2345 -0.0073 -0.0200 -0.0080 108 LEU   A HD13 
1786 H  HD21 . LEU   A 108 ? 0.2213 0.2213 0.2363 -0.0149 -0.0104 -0.0183 108 LEU   A HD21 
1787 H  HD22 . LEU   A 108 ? 0.1877 0.1801 0.2334 -0.0324 -0.0168 -0.0296 108 LEU   A HD22 
1788 H  HD23 . LEU   A 108 ? 0.2188 0.2059 0.2433 -0.0205 -0.0095 -0.0266 108 LEU   A HD23 
1789 N  N    . PRO   A 109 ? 0.2621 0.2421 0.3027 0.0104  0.0598  0.0050  109 PRO   A N    
1790 C  CA   . PRO   A 109 ? 0.2627 0.2790 0.3136 0.0154  0.0166  0.0071  109 PRO   A CA   
1791 C  C    . PRO   A 109 ? 0.2750 0.2446 0.2991 0.0451  0.0206  -0.0213 109 PRO   A C    
1792 O  O    . PRO   A 109 ? 0.3236 0.2236 0.2874 0.0199  0.0406  -0.0572 109 PRO   A O    
1793 C  CB   . PRO   A 109 ? 0.2803 0.2905 0.3488 0.0401  0.0203  -0.0132 109 PRO   A CB   
1794 C  CG   . PRO   A 109 ? 0.3137 0.2890 0.3424 0.0465  0.0409  -0.0270 109 PRO   A CG   
1795 C  CD   . PRO   A 109 ? 0.2703 0.2535 0.2901 0.0073  0.0538  0.0093  109 PRO   A CD   
1796 H  HA   . PRO   A 109 ? 0.2601 0.2601 0.3011 0.0179  0.0195  0.0161  109 PRO   A HA   
1797 H  HB2  . PRO   A 109 ? 0.2828 0.2811 0.3192 0.0193  0.0183  -0.0092 109 PRO   A HB2  
1798 H  HB3  . PRO   A 109 ? 0.2941 0.3111 0.3252 0.0244  0.0169  -0.0088 109 PRO   A HB3  
1799 H  HG2  . PRO   A 109 ? 0.3044 0.2947 0.3154 0.0288  0.0293  -0.0046 109 PRO   A HG2  
1800 H  HG3  . PRO   A 109 ? 0.2991 0.2850 0.3185 0.0326  0.0075  -0.0140 109 PRO   A HG3  
1801 H  HD2  . PRO   A 109 ? 0.2836 0.2657 0.2934 0.0073  0.0358  0.0028  109 PRO   A HD2  
1802 H  HD3  . PRO   A 109 ? 0.2723 0.2647 0.2858 0.0077  0.0366  -0.0039 109 PRO   A HD3  
1803 N  N    . PHE   A 110 ? 0.3136 0.2705 0.3261 0.0217  0.0399  0.0053  110 PHE   A N    
1804 C  CA   . PHE   A 110 ? 0.3167 0.2711 0.3225 0.0079  0.0452  0.0035  110 PHE   A CA   
1805 C  C    . PHE   A 110 ? 0.3239 0.2744 0.3676 0.0072  0.0549  -0.0024 110 PHE   A C    
1806 O  O    . PHE   A 110 ? 0.3389 0.2697 0.4610 0.0201  0.0571  -0.0007 110 PHE   A O    
1807 C  CB   . PHE   A 110 ? 0.2984 0.2550 0.3102 0.0277  0.0405  -0.0023 110 PHE   A CB   
1808 C  CG   . PHE   A 110 ? 0.2696 0.2275 0.3127 0.0151  0.0188  -0.0047 110 PHE   A CG   
1809 C  CD1  . PHE   A 110 ? 0.2857 0.2957 0.2852 0.0356  0.0164  -0.0044 110 PHE   A CD1  
1810 C  CD2  . PHE   A 110 ? 0.2664 0.2623 0.2939 0.0097  0.0151  -0.0316 110 PHE   A CD2  
1811 C  CE1  . PHE   A 110 ? 0.2788 0.2673 0.2891 -0.0032 0.0297  -0.0195 110 PHE   A CE1  
1812 C  CE2  . PHE   A 110 ? 0.2781 0.2607 0.2497 -0.0006 0.0406  -0.0041 110 PHE   A CE2  
1813 C  CZ   . PHE   A 110 ? 0.2892 0.2859 0.2510 -0.0094 0.0065  -0.0099 110 PHE   A CZ   
1814 H  H    . PHE   A 110 ? 0.3111 0.2712 0.3254 0.0212  0.0312  0.0003  110 PHE   A H    
1815 H  HA   . PHE   A 110 ? 0.3232 0.2793 0.3295 0.0027  0.0247  -0.0011 110 PHE   A HA   
1816 H  HB2  . PHE   A 110 ? 0.3095 0.2702 0.3156 0.0071  0.0185  0.0005  110 PHE   A HB2  
1817 H  HB3  . PHE   A 110 ? 0.2952 0.2866 0.3100 0.0032  0.0239  -0.0034 110 PHE   A HB3  
1818 H  HD1  . PHE   A 110 ? 0.2865 0.2893 0.3016 0.0167  0.0072  -0.0002 110 PHE   A HD1  
1819 H  HD2  . PHE   A 110 ? 0.2779 0.2615 0.2786 0.0048  0.0147  -0.0158 110 PHE   A HD2  
1820 H  HE1  . PHE   A 110 ? 0.2835 0.2799 0.2801 0.0015  0.0168  -0.0098 110 PHE   A HE1  
1821 H  HE2  . PHE   A 110 ? 0.2870 0.2654 0.2652 -0.0049 0.0184  -0.0074 110 PHE   A HE2  
1822 H  HZ   . PHE   A 110 ? 0.2838 0.2913 0.2866 -0.0034 0.0071  -0.0008 110 PHE   A HZ   
1823 N  N    . PRO   A 111 ? 0.3355 0.2869 0.3425 0.0618  0.0405  -0.0466 111 PRO   A N    
1824 C  CA   . PRO   A 111 ? 0.3386 0.3021 0.3882 0.0658  0.0660  -0.0566 111 PRO   A CA   
1825 C  C    . PRO   A 111 ? 0.3787 0.3583 0.4004 0.0424  0.0476  -0.0201 111 PRO   A C    
1826 O  O    . PRO   A 111 ? 0.4060 0.2547 0.3937 0.0783  0.0526  -0.0157 111 PRO   A O    
1827 C  CB   . PRO   A 111 ? 0.3636 0.3619 0.3745 0.0718  0.0324  -0.0139 111 PRO   A CB   
1828 C  CG   . PRO   A 111 ? 0.3472 0.3497 0.3779 0.0195  0.0303  -0.0535 111 PRO   A CG   
1829 C  CD   . PRO   A 111 ? 0.3569 0.2851 0.3678 0.0433  -0.0005 -0.0087 111 PRO   A CD   
1830 H  HA   . PRO   A 111 ? 0.3436 0.3265 0.3660 0.0248  0.0337  -0.0344 111 PRO   A HA   
1831 H  HB2  . PRO   A 111 ? 0.3566 0.3599 0.3745 0.0435  0.0311  -0.0181 111 PRO   A HB2  
1832 H  HB3  . PRO   A 111 ? 0.3562 0.3576 0.3684 0.0442  0.0316  -0.0221 111 PRO   A HB3  
1833 H  HG2  . PRO   A 111 ? 0.3726 0.3632 0.3816 0.0261  0.0174  -0.0221 111 PRO   A HG2  
1834 H  HG3  . PRO   A 111 ? 0.3755 0.3498 0.3808 0.0148  0.0132  -0.0240 111 PRO   A HG3  
1835 H  HD2  . PRO   A 111 ? 0.3553 0.3106 0.3564 0.0288  -0.0058 -0.0155 111 PRO   A HD2  
1836 H  HD3  . PRO   A 111 ? 0.3491 0.3171 0.3385 0.0303  0.0020  0.0070  111 PRO   A HD3  
1837 N  N    . SER   A 112 ? 0.3834 0.3632 0.4521 0.0435  0.0731  -0.0175 112 SER   A N    
1838 C  CA   . SER   A 112 ? 0.3826 0.4052 0.4053 0.0278  0.0489  -0.0089 112 SER   A CA   
1839 C  C    . SER   A 112 ? 0.4056 0.2561 0.4260 0.0416  0.0191  -0.0337 112 SER   A C    
1840 O  O    . SER   A 112 ? 0.5533 0.3348 0.4626 0.0678  0.0481  -0.0094 112 SER   A O    
1841 C  CB   . SER   A 112 ? 0.4128 0.3904 0.4795 0.0573  0.0308  -0.0177 112 SER   A CB   
1842 O  OG   . SER   A 112 ? 0.6202 0.4913 0.4962 0.0610  0.0396  -0.0627 112 SER   A OG   
1843 H  H    . SER   A 112 ? 0.3821 0.3833 0.3908 0.0298  0.0222  -0.0100 112 SER   A H    
1844 H  HA   . SER   A 112 ? 0.3997 0.3827 0.4206 0.0298  0.0328  -0.0148 112 SER   A HA   
1845 H  HB2  . SER   A 112 ? 0.4449 0.4228 0.4432 0.0358  0.0258  -0.0031 112 SER   A HB2  
1846 H  HB3  . SER   A 112 ? 0.4389 0.4299 0.4534 0.0190  0.0265  -0.0150 112 SER   A HB3  
1847 H  HG   . SER   A 112 ? 0.4579 0.4579 0.4579 0.0000  0.0000  0.0000  112 SER   A HG   
1848 N  N    . GLN   A 113 ? 0.3850 0.3324 0.4341 0.0242  0.0344  -0.0588 113 GLN   A N    
1849 C  CA   . GLN   A 113 ? 0.3854 0.3690 0.4111 0.0120  0.0525  -0.0458 113 GLN   A CA   
1850 C  C    . GLN   A 113 ? 0.3733 0.3606 0.4277 0.0495  0.0658  0.0036  113 GLN   A C    
1851 O  O    . GLN   A 113 ? 0.3927 0.3484 0.4347 0.0155  0.1170  -0.0662 113 GLN   A O    
1852 C  CB   . GLN   A 113 ? 0.4056 0.4054 0.4234 -0.0246 0.0233  -0.0189 113 GLN   A CB   
1853 H  H    . GLN   A 113 ? 0.3947 0.3516 0.4280 0.0235  0.0240  -0.0453 113 GLN   A H    
1854 H  HA   . GLN   A 113 ? 0.3880 0.3961 0.4152 0.0084  0.0335  -0.0110 113 GLN   A HA   
1855 H  HB2  . GLN   A 113 ? 0.3993 0.3972 0.4087 -0.0068 0.0050  -0.0028 113 GLN   A HB2  
1856 H  HB3  . GLN   A 113 ? 0.3911 0.3927 0.4131 -0.0070 0.0201  -0.0140 113 GLN   A HB3  
1857 N  N    . LYS   A 114 ? 0.3773 0.3699 0.4169 -0.0042 0.0374  -0.0368 114 LYS   A N    
1858 C  CA   . LYS   A 114 ? 0.3471 0.3853 0.4193 -0.0115 0.0338  -0.0088 114 LYS   A CA   
1859 C  C    . LYS   A 114 ? 0.3673 0.3125 0.3935 0.0086  0.0312  -0.0239 114 LYS   A C    
1860 O  O    . LYS   A 114 ? 0.4645 0.2694 0.4293 0.0096  0.0761  0.0068  114 LYS   A O    
1861 C  CB   . LYS   A 114 ? 0.4217 0.4123 0.4181 -0.0284 0.0167  0.0345  114 LYS   A CB   
1862 C  CG   . LYS   A 114 ? 0.4604 0.4492 0.4776 0.0080  -0.0362 0.0181  114 LYS   A CG   
1863 C  CD   . LYS   A 114 ? 0.5162 0.5128 0.4829 -0.0094 -0.0045 -0.0051 114 LYS   A CD   
1864 C  CE   . LYS   A 114 ? 0.5159 0.5175 0.5083 0.0054  -0.0259 0.0068  114 LYS   A CE   
1865 N  NZ   . LYS   A 114 ? 0.5258 0.5440 0.4785 0.0295  -0.0483 -0.0091 114 LYS   A NZ   
1866 H  H    . LYS   A 114 ? 0.3802 0.3809 0.4170 0.0113  0.0294  -0.0114 114 LYS   A H    
1867 H  HA   . LYS   A 114 ? 0.3751 0.3964 0.4117 -0.0012 0.0262  -0.0011 114 LYS   A HA   
1868 H  HB2  . LYS   A 114 ? 0.4189 0.4109 0.4255 -0.0070 0.0060  0.0143  114 LYS   A HB2  
1869 H  HB3  . LYS   A 114 ? 0.4050 0.4067 0.4294 -0.0124 0.0042  0.0159  114 LYS   A HB3  
1870 H  HG2  . LYS   A 114 ? 0.4660 0.4552 0.4643 0.0003  -0.0220 0.0124  114 LYS   A HG2  
1871 H  HG3  . LYS   A 114 ? 0.4534 0.4497 0.4583 0.0048  -0.0096 0.0119  114 LYS   A HG3  
1872 H  HD2  . LYS   A 114 ? 0.4937 0.4991 0.4857 -0.0147 -0.0115 -0.0160 114 LYS   A HD2  
1873 H  HD3  . LYS   A 114 ? 0.4901 0.4897 0.4855 -0.0152 -0.0183 0.0021  114 LYS   A HD3  
1874 H  HE2  . LYS   A 114 ? 0.4952 0.5020 0.4825 -0.0046 -0.0154 -0.0111 114 LYS   A HE2  
1875 H  HE3  . LYS   A 114 ? 0.5023 0.5139 0.4963 -0.0094 -0.0217 0.0003  114 LYS   A HE3  
1876 H  HZ1  . LYS   A 114 ? 0.5139 0.5147 0.4898 -0.0021 -0.0218 -0.0133 114 LYS   A HZ1  
1877 H  HZ2  . LYS   A 114 ? 0.5106 0.5149 0.5030 0.0123  -0.0094 0.0121  114 LYS   A HZ2  
1878 H  HZ3  . LYS   A 114 ? 0.5117 0.5040 0.4834 -0.0044 -0.0288 0.0014  114 LYS   A HZ3  
1879 N  N    . ASN   A 115 ? 0.3416 0.2911 0.4017 0.0469  0.0363  -0.0536 115 ASN   A N    
1880 C  CA   . ASN   A 115 ? 0.3338 0.3634 0.4236 0.0269  0.0575  -0.0323 115 ASN   A CA   
1881 C  C    . ASN   A 115 ? 0.3464 0.3347 0.4209 0.0220  0.0994  0.0027  115 ASN   A C    
1882 O  O    . ASN   A 115 ? 0.3282 0.3140 0.4048 -0.0071 0.0822  -0.0414 115 ASN   A O    
1883 C  CB   . ASN   A 115 ? 0.4408 0.3975 0.4218 0.0103  0.0446  -0.0274 115 ASN   A CB   
1884 C  CG   . ASN   A 115 ? 0.4830 0.4755 0.5099 0.0767  0.0538  0.0076  115 ASN   A CG   
1885 O  OD1  . ASN   A 115 ? 0.6361 0.5925 0.5527 0.1231  0.1582  -0.0263 115 ASN   A OD1  
1886 N  ND2  . ASN   A 115 ? 0.4188 0.4404 0.4420 0.0628  0.0312  -0.0426 115 ASN   A ND2  
1887 H  H    . ASN   A 115 ? 0.3664 0.3372 0.3959 0.0259  0.0250  -0.0371 115 ASN   A H    
1888 H  HA   . ASN   A 115 ? 0.3671 0.3861 0.4142 0.0174  0.0445  -0.0121 115 ASN   A HA   
1889 H  HB2  . ASN   A 115 ? 0.4223 0.4217 0.4353 0.0135  0.0351  -0.0051 115 ASN   A HB2  
1890 H  HB3  . ASN   A 115 ? 0.4224 0.4196 0.4358 0.0095  0.0368  -0.0141 115 ASN   A HB3  
1891 H  HD21 . ASN   A 115 ? 0.4070 0.4617 0.4641 0.0404  0.0275  -0.0180 115 ASN   A HD21 
1892 H  HD22 . ASN   A 115 ? 0.4305 0.4351 0.4409 0.0331  0.0175  -0.0253 115 ASN   A HD22 
1893 N  N    . PHE   A 116 ? 0.3321 0.2955 0.3540 0.0053  0.0650  -0.0552 116 PHE   A N    
1894 C  CA   . PHE   A 116 ? 0.2949 0.2709 0.3169 -0.0039 0.0164  -0.0177 116 PHE   A CA   
1895 C  C    . PHE   A 116 ? 0.3327 0.2682 0.3122 0.0241  0.0224  -0.0056 116 PHE   A C    
1896 O  O    . PHE   A 116 ? 0.4856 0.3436 0.3622 -0.0173 -0.0097 -0.0647 116 PHE   A O    
1897 C  CB   . PHE   A 116 ? 0.2908 0.2855 0.3334 -0.0065 0.0341  -0.0100 116 PHE   A CB   
1898 C  CG   . PHE   A 116 ? 0.3029 0.2348 0.2971 0.0025  0.0195  -0.0220 116 PHE   A CG   
1899 C  CD1  . PHE   A 116 ? 0.3010 0.2857 0.2840 -0.0007 0.0214  -0.0239 116 PHE   A CD1  
1900 C  CD2  . PHE   A 116 ? 0.2657 0.2092 0.2790 -0.0227 -0.0085 0.0067  116 PHE   A CD2  
1901 C  CE1  . PHE   A 116 ? 0.2632 0.2698 0.3079 -0.0364 0.0160  -0.0262 116 PHE   A CE1  
1902 C  CE2  . PHE   A 116 ? 0.2991 0.2079 0.3182 0.0042  0.0080  -0.0041 116 PHE   A CE2  
1903 C  CZ   . PHE   A 116 ? 0.2996 0.2274 0.2818 -0.0607 0.0177  0.0173  116 PHE   A CZ   
1904 H  H    . PHE   A 116 ? 0.3243 0.3149 0.3552 0.0164  0.0459  -0.0124 116 PHE   A H    
1905 H  HA   . PHE   A 116 ? 0.3065 0.2874 0.3029 -0.0022 0.0235  -0.0188 116 PHE   A HA   
1906 H  HB2  . PHE   A 116 ? 0.3155 0.2922 0.3261 -0.0119 0.0139  -0.0066 116 PHE   A HB2  
1907 H  HB3  . PHE   A 116 ? 0.3073 0.2985 0.3158 -0.0018 0.0200  -0.0069 116 PHE   A HB3  
1908 H  HD1  . PHE   A 116 ? 0.2923 0.2735 0.2836 -0.0062 0.0162  -0.0166 116 PHE   A HD1  
1909 H  HD2  . PHE   A 116 ? 0.2680 0.2239 0.2797 -0.0104 -0.0083 0.0001  116 PHE   A HD2  
1910 H  HE1  . PHE   A 116 ? 0.2818 0.2671 0.2901 -0.0285 0.0022  -0.0123 116 PHE   A HE1  
1911 H  HE2  . PHE   A 116 ? 0.2898 0.2258 0.3010 -0.0140 0.0085  0.0173  116 PHE   A HE2  
1912 H  HZ   . PHE   A 116 ? 0.2887 0.2404 0.2944 -0.0301 0.0009  0.0074  116 PHE   A HZ   
1913 N  N    . VAL   A 117 ? 0.2675 0.2406 0.2855 -0.0056 0.0396  -0.0131 117 VAL   A N    
1914 C  CA   . VAL   A 117 ? 0.2704 0.2662 0.2765 -0.0238 0.0224  -0.0300 117 VAL   A CA   
1915 C  C    . VAL   A 117 ? 0.2642 0.2685 0.2730 -0.0059 0.0334  -0.0456 117 VAL   A C    
1916 O  O    . VAL   A 117 ? 0.2828 0.2500 0.2507 0.0029  0.0410  -0.0314 117 VAL   A O    
1917 C  CB   . VAL   A 117 ? 0.2671 0.2735 0.3034 -0.0056 0.0233  -0.0029 117 VAL   A CB   
1918 C  CG1  . VAL   A 117 ? 0.2888 0.2817 0.3384 0.0150  0.0055  0.0081  117 VAL   A CG1  
1919 C  CG2  . VAL   A 117 ? 0.2727 0.2778 0.2915 -0.0229 0.0137  0.0032  117 VAL   A CG2  
1920 H  H    . VAL   A 117 ? 0.2823 0.2668 0.2783 -0.0050 0.0233  -0.0134 117 VAL   A H    
1921 H  HA   . VAL   A 117 ? 0.2732 0.2658 0.2692 -0.0028 0.0160  -0.0139 117 VAL   A HA   
1922 H  HB   . VAL   A 117 ? 0.2747 0.2748 0.2855 -0.0024 0.0097  0.0009  117 VAL   A HB   
1923 H  HG11 . VAL   A 117 ? 0.2902 0.2795 0.3056 0.0075  0.0052  0.0026  117 VAL   A HG11 
1924 H  HG12 . VAL   A 117 ? 0.2857 0.2849 0.3108 0.0041  0.0052  0.0040  117 VAL   A HG12 
1925 H  HG13 . VAL   A 117 ? 0.2933 0.2928 0.3065 -0.0019 0.0001  0.0100  117 VAL   A HG13 
1926 H  HG21 . VAL   A 117 ? 0.2790 0.2828 0.2877 -0.0080 0.0074  0.0064  117 VAL   A HG21 
1927 H  HG22 . VAL   A 117 ? 0.2737 0.2772 0.2826 -0.0091 0.0117  0.0026  117 VAL   A HG22 
1928 H  HG23 . VAL   A 117 ? 0.2796 0.2785 0.2905 -0.0111 0.0113  0.0017  117 VAL   A HG23 
1929 N  N    . PRO   A 118 ? 0.2702 0.2755 0.2704 -0.0065 0.0340  -0.0497 118 PRO   A N    
1930 C  CA   . PRO   A 118 ? 0.2650 0.2553 0.2914 -0.0132 0.0170  -0.0289 118 PRO   A CA   
1931 C  C    . PRO   A 118 ? 0.2760 0.2550 0.2880 -0.0046 0.0307  -0.0281 118 PRO   A C    
1932 O  O    . PRO   A 118 ? 0.2880 0.2513 0.2683 -0.0471 0.0325  -0.0573 118 PRO   A O    
1933 C  CB   . PRO   A 118 ? 0.3187 0.2728 0.3300 -0.0163 0.0028  -0.0561 118 PRO   A CB   
1934 C  CG   . PRO   A 118 ? 0.3242 0.3079 0.3345 -0.0180 0.0005  -0.0303 118 PRO   A CG   
1935 C  CD   . PRO   A 118 ? 0.2799 0.2790 0.2734 0.0234  0.0226  -0.0435 118 PRO   A CD   
1936 H  HA   . PRO   A 118 ? 0.2791 0.2671 0.2888 -0.0071 0.0172  -0.0279 118 PRO   A HA   
1937 H  HB2  . PRO   A 118 ? 0.3071 0.2866 0.3223 -0.0121 0.0106  -0.0328 118 PRO   A HB2  
1938 H  HB3  . PRO   A 118 ? 0.3087 0.3058 0.3255 -0.0182 0.0016  -0.0225 118 PRO   A HB3  
1939 H  HG2  . PRO   A 118 ? 0.3268 0.3171 0.3260 -0.0164 0.0016  -0.0205 118 PRO   A HG2  
1940 H  HG3  . PRO   A 118 ? 0.3128 0.3026 0.3164 -0.0053 -0.0008 -0.0105 118 PRO   A HG3  
1941 H  HD2  . PRO   A 118 ? 0.2947 0.2957 0.2950 0.0102  0.0176  -0.0218 118 PRO   A HD2  
1942 H  HD3  . PRO   A 118 ? 0.2846 0.2825 0.2869 0.0069  0.0022  -0.0173 118 PRO   A HD3  
1943 N  N    . PRO   A 119 ? 0.2667 0.2285 0.2553 -0.0345 0.0283  -0.0220 119 PRO   A N    
1944 C  CA   . PRO   A 119 ? 0.2787 0.2364 0.2834 -0.0383 0.0217  -0.0192 119 PRO   A CA   
1945 C  C    . PRO   A 119 ? 0.2402 0.2474 0.2678 -0.0512 0.0452  -0.0162 119 PRO   A C    
1946 O  O    . PRO   A 119 ? 0.3108 0.2614 0.3117 -0.0293 0.0528  -0.0317 119 PRO   A O    
1947 C  CB   . PRO   A 119 ? 0.2724 0.2368 0.3056 -0.0351 0.0256  -0.0133 119 PRO   A CB   
1948 C  CG   . PRO   A 119 ? 0.2730 0.2629 0.2866 -0.0176 0.0302  -0.0134 119 PRO   A CG   
1949 C  CD   . PRO   A 119 ? 0.2894 0.2539 0.2601 -0.0133 0.0378  -0.0048 119 PRO   A CD   
1950 H  HA   . PRO   A 119 ? 0.2607 0.2475 0.2675 -0.0344 0.0195  -0.0257 119 PRO   A HA   
1951 H  HB2  . PRO   A 119 ? 0.2680 0.2569 0.2762 -0.0142 0.0168  -0.0170 119 PRO   A HB2  
1952 H  HB3  . PRO   A 119 ? 0.2678 0.2639 0.2782 -0.0102 0.0125  -0.0072 119 PRO   A HB3  
1953 H  HG2  . PRO   A 119 ? 0.2606 0.2547 0.2772 -0.0097 0.0227  -0.0099 119 PRO   A HG2  
1954 H  HG3  . PRO   A 119 ? 0.2725 0.2632 0.2729 -0.0128 0.0241  -0.0059 119 PRO   A HG3  
1955 H  HD2  . PRO   A 119 ? 0.2779 0.2630 0.2642 -0.0149 0.0236  -0.0095 119 PRO   A HD2  
1956 H  HD3  . PRO   A 119 ? 0.2864 0.2560 0.2827 -0.0160 0.0163  -0.0075 119 PRO   A HD3  
1957 N  N    . GLY   A 120 ? 0.2659 0.2649 0.2611 -0.0500 0.0178  -0.0247 120 GLY   A N    
1958 C  CA   . GLY   A 120 ? 0.2932 0.3388 0.2598 -0.0476 -0.0100 -0.0321 120 GLY   A CA   
1959 C  C    . GLY   A 120 ? 0.2869 0.2645 0.3011 -0.0005 0.0075  -0.0545 120 GLY   A C    
1960 O  O    . GLY   A 120 ? 0.3391 0.3295 0.2481 -0.0123 0.0168  -0.0486 120 GLY   A O    
1961 H  H    . GLY   A 120 ? 0.2648 0.2643 0.2569 -0.0305 0.0150  -0.0140 120 GLY   A H    
1962 H  HA2  . GLY   A 120 ? 0.2956 0.3004 0.2752 -0.0296 0.0005  -0.0223 120 GLY   A HA2  
1963 H  HA3  . GLY   A 120 ? 0.2856 0.3020 0.2832 -0.0310 -0.0018 0.0006  120 GLY   A HA3  
1964 N  N    . ARG   A 121 ? 0.2841 0.2744 0.2248 -0.0478 0.0609  -0.0408 121 ARG   A N    
1965 C  CA   . ARG   A 121 ? 0.2956 0.2117 0.2660 -0.0537 0.0370  -0.0207 121 ARG   A CA   
1966 C  C    . ARG   A 121 ? 0.2265 0.2206 0.1890 -0.0121 0.0211  -0.0313 121 ARG   A C    
1967 O  O    . ARG   A 121 ? 0.2495 0.2340 0.2042 -0.0225 0.0456  -0.0341 121 ARG   A O    
1968 C  CB   . ARG   A 121 ? 0.3123 0.2753 0.2885 -0.0290 0.0317  -0.0417 121 ARG   A CB   
1969 C  CG   . ARG   A 121 ? 0.2937 0.3349 0.3296 -0.0227 -0.0130 -0.0177 121 ARG   A CG   
1970 C  CD   . ARG   A 121 ? 0.3138 0.3748 0.3962 -0.0373 0.0455  -0.0262 121 ARG   A CD   
1971 N  NE   . ARG   A 121 ? 0.4037 0.3698 0.3664 0.0162  0.0072  -0.0255 121 ARG   A NE   
1972 C  CZ   . ARG   A 121 ? 0.3987 0.3938 0.4277 -0.0300 0.0394  -0.0070 121 ARG   A CZ   
1973 N  NH1  . ARG   A 121 ? 0.5003 0.4228 0.4800 0.0210  0.0426  0.0353  121 ARG   A NH1  
1974 N  NH2  . ARG   A 121 ? 0.4377 0.3743 0.4809 -0.0169 0.0745  -0.0046 121 ARG   A NH2  
1975 H  H    . ARG   A 121 ? 0.3028 0.2792 0.2879 -0.0349 0.0176  -0.0215 121 ARG   A H    
1976 H  HA   . ARG   A 121 ? 0.2848 0.2449 0.2701 -0.0289 0.0274  -0.0252 121 ARG   A HA   
1977 H  HB2  . ARG   A 121 ? 0.3033 0.2833 0.2932 -0.0151 0.0217  -0.0197 121 ARG   A HB2  
1978 H  HB3  . ARG   A 121 ? 0.3012 0.2758 0.2897 -0.0148 0.0190  -0.0241 121 ARG   A HB3  
1979 H  HG2  . ARG   A 121 ? 0.3057 0.3315 0.3322 -0.0141 0.0069  -0.0153 121 ARG   A HG2  
1980 H  HG3  . ARG   A 121 ? 0.3059 0.3254 0.3254 -0.0146 -0.0006 -0.0024 121 ARG   A HG3  
1981 H  HD2  . ARG   A 121 ? 0.3484 0.3633 0.3774 -0.0118 0.0142  -0.0019 121 ARG   A HD2  
1982 H  HD3  . ARG   A 121 ? 0.3394 0.3599 0.3755 -0.0061 0.0274  -0.0059 121 ARG   A HD3  
1983 H  HE   . ARG   A 121 ? 0.3790 0.3668 0.3923 0.0058  0.0206  -0.0152 121 ARG   A HE   
1984 H  HH11 . ARG   A 121 ? 0.4649 0.4173 0.4542 -0.0009 0.0103  0.0332  121 ARG   A HH11 
1985 H  HH12 . ARG   A 121 ? 0.4560 0.4118 0.4394 -0.0137 -0.0011 0.0194  121 ARG   A HH12 
1986 H  HH21 . ARG   A 121 ? 0.4147 0.3970 0.4206 -0.0135 0.0398  -0.0068 121 ARG   A HH21 
1987 H  HH22 . ARG   A 121 ? 0.4047 0.3876 0.4032 -0.0152 0.0137  -0.0005 121 ARG   A HH22 
1988 N  N    . MET   A 122 ? 0.2189 0.1975 0.1741 -0.0491 0.0251  -0.0629 122 MET   A N    
1989 C  CA   . MET   A 122 ? 0.1845 0.1894 0.2095 -0.0442 0.0238  -0.0231 122 MET   A CA   
1990 C  C    . MET   A 122 ? 0.1905 0.1890 0.1727 -0.0080 0.0002  -0.0409 122 MET   A C    
1991 O  O    . MET   A 122 ? 0.1975 0.2091 0.2027 -0.0364 0.0163  -0.0633 122 MET   A O    
1992 C  CB   . MET   A 122 ? 0.2378 0.2037 0.2073 -0.0660 -0.0026 -0.0341 122 MET   A CB   
1993 C  CG   . MET   A 122 ? 0.2440 0.2643 0.2381 -0.0283 -0.0179 -0.0184 122 MET   A CG   
1994 S  SD   . MET   A 122 ? 0.2613 0.3419 0.2320 -0.0397 -0.0049 -0.0233 122 MET   A SD   
1995 C  CE   . MET   A 122 ? 0.2780 0.3348 0.2390 -0.0119 0.0230  0.0052  122 MET   A CE   
1996 H  H    . MET   A 122 ? 0.2026 0.2089 0.1733 -0.0176 0.0210  -0.0388 122 MET   A H    
1997 H  HA   . MET   A 122 ? 0.1921 0.1973 0.1908 -0.0203 0.0061  -0.0253 122 MET   A HA   
1998 H  HB2  . MET   A 122 ? 0.2240 0.2127 0.2214 -0.0346 -0.0063 -0.0189 122 MET   A HB2  
1999 H  HB3  . MET   A 122 ? 0.2232 0.2029 0.2153 -0.0401 -0.0012 -0.0263 122 MET   A HB3  
2000 H  HG2  . MET   A 122 ? 0.2450 0.2543 0.2360 -0.0296 -0.0104 -0.0038 122 MET   A HG2  
2001 H  HG3  . MET   A 122 ? 0.2453 0.2585 0.2468 -0.0300 -0.0116 -0.0102 122 MET   A HG3  
2002 H  HE1  . MET   A 122 ? 0.2738 0.3087 0.2586 -0.0050 0.0027  0.0109  122 MET   A HE1  
2003 H  HE2  . MET   A 122 ? 0.2661 0.3154 0.2504 0.0000  0.0083  -0.0007 122 MET   A HE2  
2004 H  HE3  . MET   A 122 ? 0.2788 0.3112 0.2540 0.0008  0.0095  0.0005  122 MET   A HE3  
2005 N  N    . CYS   A 123 ? 0.1587 0.1628 0.1408 -0.0250 0.0072  -0.0240 123 CYS   A N    
2006 C  CA   . CYS   A 123 ? 0.1430 0.1627 0.1618 -0.0129 0.0090  -0.0156 123 CYS   A CA   
2007 C  C    . CYS   A 123 ? 0.1490 0.1677 0.1238 -0.0166 0.0248  -0.0105 123 CYS   A C    
2008 O  O    . CYS   A 123 ? 0.1628 0.1579 0.2073 -0.0371 0.0150  -0.0134 123 CYS   A O    
2009 C  CB   . CYS   A 123 ? 0.2192 0.1790 0.1651 -0.0317 0.0075  -0.0115 123 CYS   A CB   
2010 S  SG   . CYS   A 123 ? 0.2503 0.1821 0.2230 -0.0496 0.0012  -0.0168 123 CYS   A SG   
2011 H  H    . CYS   A 123 ? 0.1637 0.1713 0.1595 -0.0045 0.0009  -0.0180 123 CYS   A H    
2012 H  HA   . CYS   A 123 ? 0.1550 0.1682 0.1514 -0.0084 0.0088  -0.0143 123 CYS   A HA   
2013 H  HB2  . CYS   A 123 ? 0.1940 0.1770 0.1851 -0.0172 -0.0028 -0.0071 123 CYS   A HB2  
2014 H  HB3  . CYS   A 123 ? 0.1918 0.1785 0.1808 -0.0073 0.0065  -0.0091 123 CYS   A HB3  
2015 H  HG   . CYS   A 123 ? 0.2144 0.1875 0.2007 -0.0134 0.0034  -0.0124 123 CYS   A HG   
2016 N  N    . ARG   A 124 ? 0.1449 0.1438 0.1298 -0.0124 0.0080  -0.0084 124 ARG   A N    
2017 C  CA   . ARG   A 124 ? 0.1287 0.1442 0.1233 -0.0184 0.0052  -0.0121 124 ARG   A CA   
2018 C  C    . ARG   A 124 ? 0.1306 0.1353 0.1232 -0.0175 0.0012  0.0023  124 ARG   A C    
2019 O  O    . ARG   A 124 ? 0.1454 0.1426 0.1274 -0.0024 -0.0011 -0.0201 124 ARG   A O    
2020 C  CB   . ARG   A 124 ? 0.1670 0.1740 0.1384 -0.0338 0.0117  -0.0010 124 ARG   A CB   
2021 C  CG   . ARG   A 124 ? 0.1991 0.2218 0.1594 -0.0460 -0.0202 0.0030  124 ARG   A CG   
2022 C  CD   . ARG   A 124 ? 0.2122 0.2553 0.2043 -0.0456 0.0148  -0.0024 124 ARG   A CD   
2023 N  NE   . ARG   A 124 ? 0.3103 0.3135 0.2418 -0.0250 -0.0104 -0.0334 124 ARG   A NE   
2024 C  CZ   . ARG   A 124 ? 0.3297 0.2974 0.2582 -0.0201 -0.0167 -0.0220 124 ARG   A CZ   
2025 N  NH1  . ARG   A 124 ? 0.3477 0.3008 0.2698 -0.0117 0.0245  0.0040  124 ARG   A NH1  
2026 N  NH2  . ARG   A 124 ? 0.3723 0.3727 0.2823 -0.0266 -0.0365 -0.0654 124 ARG   A NH2  
2027 H  H    . ARG   A 124 ? 0.1481 0.1492 0.1309 -0.0068 0.0075  -0.0072 124 ARG   A H    
2028 H  HA   . ARG   A 124 ? 0.1386 0.1442 0.1314 -0.0066 0.0023  -0.0043 124 ARG   A HA   
2029 H  HB2  . ARG   A 124 ? 0.1726 0.1754 0.1462 -0.0218 0.0039  -0.0028 124 ARG   A HB2  
2030 H  HB3  . ARG   A 124 ? 0.1630 0.1730 0.1444 -0.0255 0.0027  -0.0007 124 ARG   A HB3  
2031 H  HG2  . ARG   A 124 ? 0.2089 0.2157 0.1688 -0.0237 0.0009  -0.0021 124 ARG   A HG2  
2032 H  HG3  . ARG   A 124 ? 0.1902 0.2136 0.1649 -0.0247 -0.0013 0.0008  124 ARG   A HG3  
2033 H  HD2  . ARG   A 124 ? 0.2329 0.2471 0.2072 -0.0231 0.0018  -0.0070 124 ARG   A HD2  
2034 H  HD3  . ARG   A 124 ? 0.2380 0.2500 0.2149 -0.0315 0.0008  -0.0104 124 ARG   A HD3  
2035 H  HE   . ARG   A 124 ? 0.2959 0.2901 0.2510 -0.0207 -0.0148 -0.0051 124 ARG   A HE   
2036 H  HH11 . ARG   A 124 ? 0.3187 0.2929 0.2877 -0.0095 0.0087  -0.0026 124 ARG   A HH11 
2037 H  HH12 . ARG   A 124 ? 0.3214 0.3068 0.3006 -0.0162 0.0115  -0.0055 124 ARG   A HH12 
2038 H  HH21 . ARG   A 124 ? 0.3637 0.3395 0.2970 -0.0249 -0.0347 -0.0152 124 ARG   A HH21 
2039 H  HH22 . ARG   A 124 ? 0.3377 0.3769 0.3147 -0.0238 -0.0172 -0.0394 124 ARG   A HH22 
2040 N  N    . VAL   A 125 ? 0.1234 0.1225 0.1170 -0.0142 -0.0187 0.0026  125 VAL   A N    
2041 C  CA   . VAL   A 125 ? 0.1243 0.1167 0.1176 -0.0056 -0.0005 -0.0111 125 VAL   A CA   
2042 C  C    . VAL   A 125 ? 0.0999 0.1195 0.1201 -0.0075 0.0011  -0.0039 125 VAL   A C    
2043 O  O    . VAL   A 125 ? 0.1293 0.1151 0.1182 -0.0246 -0.0099 0.0075  125 VAL   A O    
2044 C  CB   . VAL   A 125 ? 0.1633 0.1251 0.1211 -0.0116 0.0096  -0.0024 125 VAL   A CB   
2045 C  CG1  . VAL   A 125 ? 0.1536 0.1418 0.1432 -0.0244 0.0206  0.0025  125 VAL   A CG1  
2046 C  CG2  . VAL   A 125 ? 0.1587 0.1487 0.1319 -0.0098 0.0002  -0.0160 125 VAL   A CG2  
2047 H  H    . VAL   A 125 ? 0.1209 0.1265 0.1229 -0.0014 -0.0063 0.0001  125 VAL   A H    
2048 H  HA   . VAL   A 125 ? 0.1260 0.1210 0.1201 -0.0046 -0.0015 -0.0043 125 VAL   A HA   
2049 H  HB   . VAL   A 125 ? 0.1486 0.1272 0.1277 -0.0094 0.0065  -0.0008 125 VAL   A HB   
2050 H  HG11 . VAL   A 125 ? 0.1470 0.1401 0.1439 -0.0080 0.0098  0.0009  125 VAL   A HG11 
2051 H  HG12 . VAL   A 125 ? 0.1376 0.1364 0.1310 -0.0133 0.0093  -0.0005 125 VAL   A HG12 
2052 H  HG13 . VAL   A 125 ? 0.1451 0.1408 0.1362 -0.0135 0.0103  -0.0010 125 VAL   A HG13 
2053 H  HG21 . VAL   A 125 ? 0.1497 0.1480 0.1322 -0.0082 0.0022  -0.0101 125 VAL   A HG21 
2054 H  HG22 . VAL   A 125 ? 0.1498 0.1421 0.1402 -0.0046 0.0011  -0.0094 125 VAL   A HG22 
2055 H  HG23 . VAL   A 125 ? 0.1532 0.1438 0.1343 -0.0117 0.0056  -0.0101 125 VAL   A HG23 
2056 N  N    . ALA   A 126 ? 0.1161 0.1087 0.1004 -0.0041 -0.0058 -0.0077 126 ALA   A N    
2057 C  CA   . ALA   A 126 ? 0.1082 0.1104 0.0986 -0.0072 0.0025  -0.0025 126 ALA   A CA   
2058 C  C    . ALA   A 126 ? 0.0917 0.1009 0.0990 -0.0119 0.0050  0.0014  126 ALA   A C    
2059 O  O    . ALA   A 126 ? 0.1178 0.1134 0.1046 -0.0110 -0.0042 0.0000  126 ALA   A O    
2060 C  CB   . ALA   A 126 ? 0.1129 0.1287 0.1064 -0.0190 0.0067  -0.0069 126 ALA   A CB   
2061 H  H    . ALA   A 126 ? 0.1106 0.1106 0.1082 -0.0016 -0.0024 -0.0036 126 ALA   A H    
2062 H  HA   . ALA   A 126 ? 0.1085 0.1112 0.1045 -0.0060 0.0011  -0.0016 126 ALA   A HA   
2063 H  HB1  . ALA   A 126 ? 0.1130 0.1165 0.1087 -0.0107 0.0044  -0.0048 126 ALA   A HB1  
2064 H  HB2  . ALA   A 126 ? 0.1126 0.1234 0.1083 -0.0070 0.0042  -0.0067 126 ALA   A HB2  
2065 H  HB3  . ALA   A 126 ? 0.1187 0.1225 0.1136 -0.0102 0.0048  -0.0044 126 ALA   A HB3  
2066 N  N    . GLY   A 127 ? 0.0905 0.1034 0.0859 -0.0100 -0.0019 -0.0026 127 GLY   A N    
2067 C  CA   . GLY   A 127 ? 0.1014 0.0991 0.0946 -0.0083 0.0020  -0.0086 127 GLY   A CA   
2068 C  C    . GLY   A 127 ? 0.0907 0.0978 0.0958 -0.0129 -0.0038 -0.0006 127 GLY   A C    
2069 O  O    . GLY   A 127 ? 0.1113 0.1134 0.0943 -0.0103 0.0009  0.0078  127 GLY   A O    
2070 H  H    . GLY   A 127 ? 0.0936 0.0992 0.0933 -0.0056 -0.0013 0.0001  127 GLY   A H    
2071 H  HA2  . GLY   A 127 ? 0.1008 0.0998 0.0956 -0.0067 0.0016  -0.0040 127 GLY   A HA2  
2072 H  HA3  . GLY   A 127 ? 0.0989 0.1008 0.0980 -0.0051 0.0011  -0.0029 127 GLY   A HA3  
2073 N  N    . TRP   A 128 ? 0.1012 0.1004 0.0914 -0.0013 -0.0047 -0.0061 128 TRP   A N    
2074 C  CA   . TRP   A 128 ? 0.0920 0.1000 0.1004 0.0002  -0.0032 0.0068  128 TRP   A CA   
2075 C  C    . TRP   A 128 ? 0.0990 0.1043 0.0969 -0.0027 -0.0035 0.0000  128 TRP   A C    
2076 O  O    . TRP   A 128 ? 0.1069 0.1117 0.1164 -0.0021 -0.0088 -0.0015 128 TRP   A O    
2077 C  CB   . TRP   A 128 ? 0.0981 0.1143 0.1053 0.0000  -0.0048 -0.0054 128 TRP   A CB   
2078 C  CG   . TRP   A 128 ? 0.1024 0.1049 0.0999 -0.0018 -0.0034 0.0007  128 TRP   A CG   
2079 C  CD1  . TRP   A 128 ? 0.0936 0.1048 0.1179 0.0016  -0.0110 0.0074  128 TRP   A CD1  
2080 C  CD2  . TRP   A 128 ? 0.0926 0.0971 0.1024 -0.0107 -0.0051 -0.0020 128 TRP   A CD2  
2081 N  NE1  . TRP   A 128 ? 0.1028 0.1105 0.1016 -0.0067 0.0035  0.0166  128 TRP   A NE1  
2082 C  CE2  . TRP   A 128 ? 0.1013 0.0945 0.1007 -0.0080 -0.0008 -0.0045 128 TRP   A CE2  
2083 C  CE3  . TRP   A 128 ? 0.1039 0.1031 0.1062 -0.0082 -0.0099 -0.0013 128 TRP   A CE3  
2084 C  CZ2  . TRP   A 128 ? 0.1035 0.1076 0.1126 -0.0158 0.0088  -0.0084 128 TRP   A CZ2  
2085 C  CZ3  . TRP   A 128 ? 0.1123 0.1032 0.1082 -0.0043 -0.0084 -0.0038 128 TRP   A CZ3  
2086 C  CH2  . TRP   A 128 ? 0.0996 0.1169 0.1131 -0.0008 0.0030  -0.0151 128 TRP   A CH2  
2087 H  H    . TRP   A 128 ? 0.0960 0.0992 0.0960 -0.0014 -0.0031 -0.0019 128 TRP   A H    
2088 H  HA   . TRP   A 128 ? 0.0969 0.1019 0.0961 -0.0005 -0.0031 0.0012  128 TRP   A HA   
2089 H  HB2  . TRP   A 128 ? 0.1000 0.1071 0.1045 -0.0013 -0.0012 -0.0027 128 TRP   A HB2  
2090 H  HB3  . TRP   A 128 ? 0.1012 0.1074 0.1033 -0.0032 -0.0038 0.0008  128 TRP   A HB3  
2091 H  HD1  . TRP   A 128 ? 0.0982 0.1005 0.1084 0.0024  -0.0046 0.0064  128 TRP   A HD1  
2092 H  HE1  . TRP   A 128 ? 0.1067 0.0955 0.0937 -0.0056 0.0002  0.0090  128 TRP   A HE1  
2093 H  HE3  . TRP   A 128 ? 0.1062 0.1043 0.1069 -0.0020 -0.0048 0.0000  128 TRP   A HE3  
2094 H  HZ2  . TRP   A 128 ? 0.1016 0.1043 0.1050 -0.0063 0.0058  -0.0062 128 TRP   A HZ2  
2095 H  HZ3  . TRP   A 128 ? 0.1074 0.1058 0.1070 -0.0019 -0.0062 -0.0033 128 TRP   A HZ3  
2096 H  HH2  . TRP   A 128 ? 0.1028 0.1087 0.1106 0.0013  0.0016  -0.0097 128 TRP   A HH2  
2097 N  N    . GLY   A 129 ? 0.1076 0.1005 0.1038 -0.0015 0.0057  -0.0018 129 GLY   A N    
2098 C  CA   . GLY   A 129 ? 0.1129 0.1245 0.1147 -0.0044 0.0107  0.0113  129 GLY   A CA   
2099 C  C    . GLY   A 129 ? 0.1144 0.1156 0.1218 -0.0068 0.0043  0.0052  129 GLY   A C    
2100 O  O    . GLY   A 129 ? 0.1054 0.1323 0.1217 -0.0128 -0.0072 -0.0009 129 GLY   A O    
2101 H  H    . GLY   A 129 ? 0.1047 0.1018 0.1018 0.0001  0.0032  -0.0012 129 GLY   A H    
2102 H  HA2  . GLY   A 129 ? 0.1133 0.1199 0.1217 -0.0001 0.0058  0.0054  129 GLY   A HA2  
2103 H  HA3  . GLY   A 129 ? 0.1133 0.1162 0.1149 -0.0018 0.0056  0.0021  129 GLY   A HA3  
2104 N  N    . ARG   A 130 ? 0.1153 0.1307 0.1268 0.0034  0.0062  0.0067  130 ARG   A N    
2105 C  CA   . ARG   A 130 ? 0.1165 0.1324 0.1444 0.0075  -0.0011 0.0053  130 ARG   A CA   
2106 C  C    . ARG   A 130 ? 0.1225 0.1396 0.1484 0.0034  0.0023  -0.0007 130 ARG   A C    
2107 O  O    . ARG   A 130 ? 0.1285 0.1470 0.1522 -0.0123 -0.0051 -0.0178 130 ARG   A O    
2108 C  CB   . ARG   A 130 ? 0.1321 0.1380 0.1583 0.0188  0.0151  0.0087  130 ARG   A CB   
2109 C  CG   . ARG   A 130 ? 0.1678 0.1521 0.1736 0.0131  0.0185  -0.0100 130 ARG   A CG   
2110 C  CD   . ARG   A 130 ? 0.1601 0.1712 0.1983 0.0133  0.0212  0.0283  130 ARG   A CD   
2111 N  NE   . ARG   A 130 ? 0.2625 0.2198 0.2156 0.0059  0.0377  0.0018  130 ARG   A NE   
2112 C  CZ   . ARG   A 130 ? 0.2700 0.2437 0.2761 0.0185  -0.0090 -0.0244 130 ARG   A CZ   
2113 N  NH1  . ARG   A 130 ? 0.3315 0.2765 0.3151 0.0368  -0.0032 0.0096  130 ARG   A NH1  
2114 N  NH2  . ARG   A 130 ? 0.3481 0.3126 0.2620 0.0241  -0.0040 -0.0317 130 ARG   A NH2  
2115 H  H    . ARG   A 130 ? 0.1213 0.1273 0.1266 0.0019  0.0047  0.0048  130 ARG   A H    
2116 H  HA   . ARG   A 130 ? 0.1266 0.1347 0.1462 0.0040  0.0024  0.0065  130 ARG   A HA   
2117 H  HB2  . ARG   A 130 ? 0.1387 0.1428 0.1556 0.0067  0.0074  0.0071  130 ARG   A HB2  
2118 H  HB3  . ARG   A 130 ? 0.1376 0.1417 0.1581 0.0127  0.0002  0.0082  130 ARG   A HB3  
2119 H  HG2  . ARG   A 130 ? 0.1592 0.1631 0.1724 0.0037  0.0138  0.0031  130 ARG   A HG2  
2120 H  HG3  . ARG   A 130 ? 0.1656 0.1585 0.1689 0.0019  0.0107  0.0033  130 ARG   A HG3  
2121 H  HD2  . ARG   A 130 ? 0.1815 0.1761 0.1948 -0.0020 0.0161  0.0144  130 ARG   A HD2  
2122 H  HD3  . ARG   A 130 ? 0.1716 0.1813 0.2099 0.0173  0.0018  0.0205  130 ARG   A HD3  
2123 H  HE   . ARG   A 130 ? 0.2420 0.2299 0.2341 -0.0014 0.0168  0.0031  130 ARG   A HE   
2124 H  HH11 . ARG   A 130 ? 0.2960 0.2625 0.2970 0.0280  0.0135  0.0150  130 ARG   A HH11 
2125 H  HH12 . ARG   A 130 ? 0.2999 0.2761 0.2929 0.0195  -0.0030 0.0065  130 ARG   A HH12 
2126 H  HH21 . ARG   A 130 ? 0.3302 0.2907 0.2893 -0.0028 -0.0060 -0.0141 130 ARG   A HH21 
2127 H  HH22 . ARG   A 130 ? 0.3107 0.2852 0.2747 0.0087  -0.0075 -0.0022 130 ARG   A HH22 
2128 N  N    . THR   A 131 ? 0.1383 0.1539 0.1675 0.0057  -0.0200 0.0000  131 THR   A N    
2129 C  CA   . THR   A 131 ? 0.1640 0.1791 0.1806 0.0077  -0.0233 -0.0159 131 THR   A CA   
2130 C  C    . THR   A 131 ? 0.1711 0.1766 0.1947 -0.0005 -0.0104 -0.0105 131 THR   A C    
2131 O  O    . THR   A 131 ? 0.1921 0.2153 0.2150 0.0042  -0.0214 -0.0211 131 THR   A O    
2132 C  CB   . THR   A 131 ? 0.1653 0.1900 0.2005 -0.0055 -0.0249 -0.0020 131 THR   A CB   
2133 O  OG1  . THR   A 131 ? 0.1985 0.1793 0.2462 0.0174  -0.0350 0.0162  131 THR   A OG1  
2134 C  CG2  . THR   A 131 ? 0.1759 0.1874 0.1880 -0.0012 0.0090  0.0110  131 THR   A CG2  
2135 H  H    . THR   A 131 ? 0.1421 0.1556 0.1622 0.0046  -0.0109 -0.0027 131 THR   A H    
2136 H  HA   . THR   A 131 ? 0.1589 0.1739 0.1758 0.0018  -0.0153 -0.0087 131 THR   A HA   
2137 H  HB   . THR   A 131 ? 0.1757 0.1869 0.1835 -0.0011 -0.0122 0.0023  131 THR   A HB   
2138 H  HG1  . THR   A 131 ? 0.1987 0.1987 0.1987 0.0000  0.0000  0.0000  131 THR   A HG1  
2139 H  HG21 . THR   A 131 ? 0.1795 0.1857 0.1885 -0.0025 0.0012  0.0049  131 THR   A HG21 
2140 H  HG22 . THR   A 131 ? 0.1769 0.1815 0.1805 -0.0023 0.0014  0.0040  131 THR   A HG22 
2141 H  HG23 . THR   A 131 ? 0.1794 0.1877 0.1920 0.0020  0.0031  0.0066  131 THR   A HG23 
2142 N  N    . GLY   A 132 ? 0.1274 0.1820 0.2009 -0.0077 -0.0159 -0.0161 132 GLY   A N    
2143 C  CA   . GLY   A 132 ? 0.1345 0.1957 0.2301 -0.0136 -0.0089 -0.0074 132 GLY   A CA   
2144 C  C    . GLY   A 132 ? 0.1627 0.1684 0.2166 0.0043  -0.0067 0.0058  132 GLY   A C    
2145 O  O    . GLY   A 132 ? 0.1578 0.1955 0.2178 0.0103  -0.0067 -0.0170 132 GLY   A O    
2146 H  H    . GLY   A 132 ? 0.1514 0.1776 0.1759 -0.0077 -0.0064 -0.0076 132 GLY   A H    
2147 H  HA2  . GLY   A 132 ? 0.1543 0.1888 0.2117 -0.0057 -0.0062 -0.0034 132 GLY   A HA2  
2148 H  HA3  . GLY   A 132 ? 0.1690 0.1908 0.2120 -0.0040 -0.0054 -0.0062 132 GLY   A HA3  
2149 N  N    . VAL   A 133 ? 0.1605 0.1700 0.2436 0.0076  0.0039  0.0130  133 VAL   A N    
2150 C  CA   . VAL   A 133 ? 0.2002 0.2316 0.2612 0.0069  0.0203  0.0439  133 VAL   A CA   
2151 C  C    . VAL   A 133 ? 0.2191 0.3077 0.2819 -0.0238 0.0604  -0.0243 133 VAL   A C    
2152 O  O    . VAL   A 133 ? 0.3297 0.4183 0.3393 -0.1321 0.0298  -0.0450 133 VAL   A O    
2153 C  CB   . VAL   A 133 ? 0.2027 0.2534 0.2904 -0.0288 0.0064  0.0025  133 VAL   A CB   
2154 C  CG1  . VAL   A 133 ? 0.2604 0.2839 0.2843 -0.0483 -0.0062 0.0147  133 VAL   A CG1  
2155 C  CG2  . VAL   A 133 ? 0.2571 0.2562 0.2878 0.0127  0.0001  0.0148  133 VAL   A CG2  
2156 H  H    . VAL   A 133 ? 0.1941 0.1963 0.2263 -0.0007 -0.0056 0.0075  133 VAL   A H    
2157 H  HA   . VAL   A 133 ? 0.2077 0.2306 0.2487 0.0107  0.0018  0.0216  133 VAL   A HA   
2158 H  HB   . VAL   A 133 ? 0.2405 0.2526 0.2679 -0.0114 0.0076  0.0096  133 VAL   A HB   
2159 H  HG11 . VAL   A 133 ? 0.2487 0.2819 0.2764 -0.0378 -0.0010 0.0159  133 VAL   A HG11 
2160 H  HG12 . VAL   A 133 ? 0.2371 0.2532 0.2748 -0.0216 0.0035  0.0125  133 VAL   A HG12 
2161 H  HG13 . VAL   A 133 ? 0.2557 0.2685 0.2724 -0.0251 0.0038  0.0071  133 VAL   A HG13 
2162 H  HG21 . VAL   A 133 ? 0.2475 0.2509 0.2667 0.0010  0.0016  0.0062  133 VAL   A HG21 
2163 H  HG22 . VAL   A 133 ? 0.2558 0.2549 0.2755 0.0050  -0.0054 0.0054  133 VAL   A HG22 
2164 H  HG23 . VAL   A 133 ? 0.2403 0.2476 0.2758 -0.0006 -0.0102 0.0156  133 VAL   A HG23 
2165 N  N    . LEU   A 134 ? 0.2617 0.2804 0.3296 -0.0223 0.0539  -0.0203 134 LEU   A N    
2166 C  CA   . LEU   A 134 ? 0.3525 0.2803 0.3552 -0.0064 0.0161  -0.0175 134 LEU   A CA   
2167 C  C    . LEU   A 134 ? 0.2649 0.3075 0.4170 0.0614  0.0674  -0.0110 134 LEU   A C    
2168 O  O    . LEU   A 134 ? 0.3451 0.2855 0.4591 -0.0108 0.0723  -0.0249 134 LEU   A O    
2169 C  CB   . LEU   A 134 ? 0.3533 0.3633 0.4158 0.0042  0.0102  -0.0130 134 LEU   A CB   
2170 C  CG   . LEU   A 134 ? 0.3877 0.3889 0.4277 -0.0259 0.0142  -0.0048 134 LEU   A CG   
2171 C  CD1  . LEU   A 134 ? 0.4121 0.3877 0.4027 0.0128  0.0117  0.0107  134 LEU   A CD1  
2172 C  CD2  . LEU   A 134 ? 0.4377 0.4268 0.3970 -0.0262 0.0139  0.0480  134 LEU   A CD2  
2173 H  H    . LEU   A 134 ? 0.2835 0.2860 0.3239 -0.0093 0.0379  -0.0134 134 LEU   A H    
2174 H  HA   . LEU   A 134 ? 0.3201 0.3143 0.3424 -0.0038 0.0319  -0.0115 134 LEU   A HA   
2175 H  HB2  . LEU   A 134 ? 0.3648 0.3482 0.3826 0.0026  0.0304  0.0031  134 LEU   A HB2  
2176 H  HB3  . LEU   A 134 ? 0.3531 0.3548 0.3892 0.0003  0.0157  0.0019  134 LEU   A HB3  
2177 H  HG   . LEU   A 134 ? 0.3874 0.3823 0.4035 -0.0139 0.0093  0.0106  134 LEU   A HG   
2178 H  HD11 . LEU   A 134 ? 0.3914 0.3881 0.3903 0.0064  0.0126  0.0171  134 LEU   A HD11 
2179 H  HD12 . LEU   A 134 ? 0.3876 0.3961 0.3922 0.0097  -0.0033 -0.0001 134 LEU   A HD12 
2180 H  HD13 . LEU   A 134 ? 0.3896 0.3800 0.3919 -0.0018 0.0064  0.0078  134 LEU   A HD13 
2181 H  HD21 . LEU   A 134 ? 0.4006 0.4168 0.3939 -0.0142 0.0093  0.0339  134 LEU   A HD21 
2182 H  HD22 . LEU   A 134 ? 0.3832 0.4023 0.3867 -0.0092 -0.0041 0.0177  134 LEU   A HD22 
2183 H  HD23 . LEU   A 134 ? 0.4015 0.4154 0.4007 -0.0282 0.0257  0.0154  134 LEU   A HD23 
2184 N  N    . LYS   A 135 ? 0.2226 0.2188 0.3188 0.0170  0.0527  0.0062  135 LYS   A N    
2185 C  CA   . LYS   A 135 ? 0.1974 0.2281 0.2898 0.0276  0.0088  0.0311  135 LYS   A CA   
2186 C  C    . LYS   A 135 ? 0.1960 0.1764 0.2097 0.0239  0.0212  0.0137  135 LYS   A C    
2187 O  O    . LYS   A 135 ? 0.2132 0.1961 0.2431 0.0350  0.0209  0.0273  135 LYS   A O    
2188 C  CB   . LYS   A 135 ? 0.2575 0.2687 0.2888 0.0033  0.0026  0.0182  135 LYS   A CB   
2189 C  CG   . LYS   A 135 ? 0.2978 0.3625 0.3609 -0.0177 -0.0532 -0.0295 135 LYS   A CG   
2190 C  CD   . LYS   A 135 ? 0.4105 0.4422 0.4004 -0.0094 0.0010  0.0050  135 LYS   A CD   
2191 C  CE   . LYS   A 135 ? 0.4433 0.4722 0.4811 0.0261  -0.0170 0.0364  135 LYS   A CE   
2192 N  NZ   . LYS   A 135 ? 0.5206 0.4803 0.4939 -0.0154 -0.0204 -0.0090 135 LYS   A NZ   
2193 H  H    . LYS   A 135 ? 0.2316 0.2408 0.3144 0.0345  0.0343  0.0245  135 LYS   A H    
2194 H  HA   . LYS   A 135 ? 0.2210 0.2300 0.2753 0.0270  0.0134  0.0217  135 LYS   A HA   
2195 H  HB2  . LYS   A 135 ? 0.2569 0.2718 0.2945 0.0072  -0.0051 0.0124  135 LYS   A HB2  
2196 H  HB3  . LYS   A 135 ? 0.2582 0.2771 0.2893 -0.0105 0.0040  0.0180  135 LYS   A HB3  
2197 H  HG2  . LYS   A 135 ? 0.3238 0.3472 0.3463 -0.0116 -0.0219 0.0022  135 LYS   A HG2  
2198 H  HG3  . LYS   A 135 ? 0.3278 0.3450 0.3467 0.0034  -0.0214 -0.0060 135 LYS   A HG3  
2199 H  HD2  . LYS   A 135 ? 0.3881 0.4170 0.4092 -0.0132 -0.0246 0.0191  135 LYS   A HD2  
2200 H  HD3  . LYS   A 135 ? 0.3881 0.4070 0.4054 0.0065  -0.0219 0.0014  135 LYS   A HD3  
2201 H  HE2  . LYS   A 135 ? 0.4308 0.4901 0.4975 0.0121  -0.0193 0.0122  135 LYS   A HE2  
2202 H  HE3  . LYS   A 135 ? 0.4462 0.4634 0.4624 0.0062  -0.0249 0.0395  135 LYS   A HE3  
2203 H  HZ1  . LYS   A 135 ? 0.4672 0.4888 0.4957 0.0125  -0.0257 -0.0063 135 LYS   A HZ1  
2204 H  HZ2  . LYS   A 135 ? 0.4707 0.4736 0.4835 -0.0160 0.0075  -0.0070 135 LYS   A HZ2  
2205 H  HZ3  . LYS   A 135 ? 0.4611 0.4568 0.4703 -0.0080 -0.0296 0.0151  135 LYS   A HZ3  
2206 N  N    . PRO   A 136 ? 0.1790 0.1740 0.2317 0.0368  0.0028  0.0036  136 PRO   A N    
2207 C  CA   . PRO   A 136 ? 0.1875 0.1855 0.1966 0.0075  0.0045  -0.0165 136 PRO   A CA   
2208 C  C    . PRO   A 136 ? 0.1625 0.1762 0.1772 -0.0016 0.0118  0.0083  136 PRO   A C    
2209 O  O    . PRO   A 136 ? 0.1510 0.1708 0.1863 0.0126  0.0049  0.0130  136 PRO   A O    
2210 C  CB   . PRO   A 136 ? 0.2308 0.1900 0.2440 0.0106  0.0061  -0.0082 136 PRO   A CB   
2211 C  CG   . PRO   A 136 ? 0.2333 0.2177 0.2754 0.0112  -0.0016 0.0259  136 PRO   A CG   
2212 C  CD   . PRO   A 136 ? 0.2114 0.2025 0.2418 0.0345  -0.0057 0.0285  136 PRO   A CD   
2213 H  HA   . PRO   A 136 ? 0.1917 0.1861 0.2016 0.0099  0.0057  -0.0046 136 PRO   A HA   
2214 H  HB2  . PRO   A 136 ? 0.2231 0.1982 0.2262 0.0070  -0.0055 -0.0020 136 PRO   A HB2  
2215 H  HB3  . PRO   A 136 ? 0.2190 0.2052 0.2186 0.0047  0.0005  0.0008  136 PRO   A HB3  
2216 H  HG2  . PRO   A 136 ? 0.2402 0.2168 0.2519 0.0018  -0.0117 0.0202  136 PRO   A HG2  
2217 H  HG3  . PRO   A 136 ? 0.2282 0.2196 0.2492 0.0097  -0.0025 0.0143  136 PRO   A HG3  
2218 H  HD2  . PRO   A 136 ? 0.2166 0.2094 0.2351 0.0231  0.0037  0.0199  136 PRO   A HD2  
2219 H  HD3  . PRO   A 136 ? 0.2123 0.2078 0.2314 0.0096  0.0043  0.0114  136 PRO   A HD3  
2220 N  N    . GLY   A 137 ? 0.1722 0.1712 0.1743 0.0137  0.0045  0.0035  137 GLY   A N    
2221 C  CA   . GLY   A 137 ? 0.1511 0.1609 0.1590 -0.0105 0.0051  -0.0079 137 GLY   A CA   
2222 C  C    . GLY   A 137 ? 0.1291 0.1507 0.1611 -0.0110 -0.0242 -0.0001 137 GLY   A C    
2223 O  O    . GLY   A 137 ? 0.1694 0.1572 0.1726 -0.0048 0.0145  0.0034  137 GLY   A O    
2224 H  H    . GLY   A 137 ? 0.1681 0.1725 0.1762 0.0048  0.0059  0.0010  137 GLY   A H    
2225 H  HA2  . GLY   A 137 ? 0.1461 0.1563 0.1553 -0.0036 -0.0013 -0.0019 137 GLY   A HA2  
2226 H  HA3  . GLY   A 137 ? 0.1586 0.1602 0.1604 -0.0042 0.0000  -0.0028 137 GLY   A HA3  
2227 N  N    . SER   A 138 ? 0.1219 0.1506 0.1594 0.0051  0.0102  0.0128  138 SER   A N    
2228 C  CA   . SER   A 138 ? 0.1270 0.1500 0.1461 -0.0071 0.0010  0.0058  138 SER   A CA   
2229 C  C    . SER   A 138 ? 0.1352 0.1524 0.1528 -0.0116 0.0024  0.0302  138 SER   A C    
2230 O  O    . SER   A 138 ? 0.1292 0.1722 0.1555 -0.0070 -0.0039 0.0296  138 SER   A O    
2231 C  CB   . SER   A 138 ? 0.1302 0.1583 0.1555 0.0039  -0.0115 0.0007  138 SER   A CB   
2232 O  OG   . SER   A 138 ? 0.1373 0.1566 0.1672 0.0018  0.0132  0.0050  138 SER   A OG   
2233 H  H    . SER   A 138 ? 0.1313 0.1483 0.1548 -0.0014 -0.0006 0.0052  138 SER   A H    
2234 H  HA   . SER   A 138 ? 0.1394 0.1483 0.1511 -0.0007 0.0015  0.0067  138 SER   A HA   
2235 H  HB2  . SER   A 138 ? 0.1418 0.1483 0.1533 -0.0030 -0.0038 0.0019  138 SER   A HB2  
2236 H  HB3  . SER   A 138 ? 0.1375 0.1458 0.1546 0.0048  -0.0044 0.0043  138 SER   A HB3  
2237 H  HG   . SER   A 138 ? 0.1545 0.1545 0.1545 0.0000  0.0000  0.0000  138 SER   A HG   
2238 N  N    . ASP   A 139 ? 0.1271 0.1276 0.1568 0.0121  -0.0085 0.0157  139 ASP   A N    
2239 C  CA   . ASP   A 139 ? 0.1387 0.1325 0.1387 -0.0066 -0.0025 -0.0107 139 ASP   A CA   
2240 C  C    . ASP   A 139 ? 0.1337 0.1415 0.1371 0.0063  0.0004  0.0128  139 ASP   A C    
2241 O  O    . ASP   A 139 ? 0.1269 0.1493 0.1546 -0.0069 0.0010  0.0014  139 ASP   A O    
2242 C  CB   . ASP   A 139 ? 0.1527 0.1572 0.1642 -0.0022 0.0052  0.0142  139 ASP   A CB   
2243 C  CG   . ASP   A 139 ? 0.1635 0.1791 0.1784 0.0110  0.0073  0.0028  139 ASP   A CG   
2244 O  OD1  . ASP   A 139 ? 0.1706 0.1603 0.1869 0.0199  0.0210  -0.0019 139 ASP   A OD1  
2245 O  OD2  . ASP   A 139 ? 0.2041 0.1872 0.2340 0.0275  0.0092  0.0160  139 ASP   A OD2  
2246 H  H    . ASP   A 139 ? 0.1210 0.1414 0.1563 0.0160  -0.0116 0.0145  139 ASP   A H    
2247 H  HA   . ASP   A 139 ? 0.1391 0.1416 0.1386 -0.0002 -0.0058 0.0021  139 ASP   A HA   
2248 H  HB2  . ASP   A 139 ? 0.1572 0.1546 0.1637 -0.0002 0.0037  0.0046  139 ASP   A HB2  
2249 H  HB3  . ASP   A 139 ? 0.1532 0.1536 0.1583 -0.0035 0.0027  0.0049  139 ASP   A HB3  
2250 N  N    . THR   A 140 ? 0.1199 0.1319 0.1433 0.0031  -0.0081 0.0114  140 THR   A N    
2251 C  CA   . THR   A 140 ? 0.1286 0.1293 0.1315 -0.0058 -0.0082 0.0074  140 THR   A CA   
2252 C  C    . THR   A 140 ? 0.1204 0.1289 0.1247 -0.0040 0.0039  0.0057  140 THR   A C    
2253 O  O    . THR   A 140 ? 0.1107 0.1313 0.1450 -0.0028 0.0064  0.0100  140 THR   A O    
2254 C  CB   . THR   A 140 ? 0.1420 0.1391 0.1297 -0.0045 0.0017  -0.0010 140 THR   A CB   
2255 O  OG1  . THR   A 140 ? 0.1447 0.1635 0.1514 -0.0136 -0.0266 0.0096  140 THR   A OG1  
2256 C  CG2  . THR   A 140 ? 0.1610 0.1518 0.1530 -0.0016 -0.0116 0.0234  140 THR   A CG2  
2257 H  H    . THR   A 140 ? 0.1235 0.1336 0.1370 -0.0001 -0.0100 0.0081  140 THR   A H    
2258 H  HA   . THR   A 140 ? 0.1279 0.1296 0.1309 -0.0041 -0.0031 0.0052  140 THR   A HA   
2259 H  HB   . THR   A 140 ? 0.1390 0.1378 0.1362 -0.0003 -0.0008 -0.0002 140 THR   A HB   
2260 H  HG1  . THR   A 140 ? 0.1489 0.1489 0.1489 0.0000  0.0000  0.0000  140 THR   A HG1  
2261 H  HG21 . THR   A 140 ? 0.1558 0.1492 0.1477 0.0025  -0.0019 0.0113  140 THR   A HG21 
2262 H  HG22 . THR   A 140 ? 0.1531 0.1483 0.1460 -0.0020 -0.0022 0.0103  140 THR   A HG22 
2263 H  HG23 . THR   A 140 ? 0.1617 0.1574 0.1580 -0.0080 -0.0036 0.0103  140 THR   A HG23 
2264 N  N    . LEU   A 141 ? 0.1096 0.1076 0.1044 -0.0088 -0.0069 -0.0008 141 LEU   A N    
2265 C  CA   . LEU   A 141 ? 0.1186 0.1083 0.1084 -0.0011 -0.0094 0.0054  141 LEU   A CA   
2266 C  C    . LEU   A 141 ? 0.1107 0.1183 0.1042 -0.0049 -0.0011 0.0047  141 LEU   A C    
2267 O  O    . LEU   A 141 ? 0.1207 0.1438 0.1088 -0.0178 -0.0117 0.0152  141 LEU   A O    
2268 C  CB   . LEU   A 141 ? 0.1101 0.1230 0.1007 -0.0105 -0.0089 0.0040  141 LEU   A CB   
2269 C  CG   . LEU   A 141 ? 0.1092 0.1195 0.0968 -0.0141 -0.0123 -0.0036 141 LEU   A CG   
2270 C  CD1  . LEU   A 141 ? 0.1159 0.1069 0.1022 -0.0034 -0.0013 0.0054  141 LEU   A CD1  
2271 C  CD2  . LEU   A 141 ? 0.1137 0.1308 0.1112 -0.0084 -0.0076 0.0064  141 LEU   A CD2  
2272 H  H    . LEU   A 141 ? 0.1107 0.1133 0.1112 -0.0039 -0.0014 0.0033  141 LEU   A H    
2273 H  HA   . LEU   A 141 ? 0.1132 0.1117 0.1118 -0.0040 -0.0038 0.0044  141 LEU   A HA   
2274 H  HB2  . LEU   A 141 ? 0.1049 0.1169 0.1030 -0.0080 -0.0087 0.0013  141 LEU   A HB2  
2275 H  HB3  . LEU   A 141 ? 0.1106 0.1166 0.1060 -0.0077 -0.0031 0.0060  141 LEU   A HB3  
2276 H  HG   . LEU   A 141 ? 0.0952 0.1168 0.1017 -0.0137 -0.0130 -0.0018 141 LEU   A HG   
2277 H  HD11 . LEU   A 141 ? 0.1137 0.1098 0.1051 -0.0041 -0.0031 0.0030  141 LEU   A HD11 
2278 H  HD12 . LEU   A 141 ? 0.1128 0.1077 0.1047 -0.0021 -0.0031 0.0034  141 LEU   A HD12 
2279 H  HD13 . LEU   A 141 ? 0.1121 0.1106 0.1068 -0.0019 -0.0018 0.0027  141 LEU   A HD13 
2280 H  HD21 . LEU   A 141 ? 0.1121 0.1213 0.1101 -0.0047 -0.0055 0.0026  141 LEU   A HD21 
2281 H  HD22 . LEU   A 141 ? 0.1127 0.1251 0.1097 -0.0085 -0.0059 -0.0021 141 LEU   A HD22 
2282 H  HD23 . LEU   A 141 ? 0.1125 0.1221 0.1113 -0.0070 -0.0060 0.0040  141 LEU   A HD23 
2283 N  N    . GLN   A 142 ? 0.1079 0.1011 0.1046 -0.0043 -0.0052 0.0026  142 GLN   A N    
2284 C  CA   . GLN   A 142 ? 0.1158 0.1200 0.0885 -0.0025 -0.0109 0.0057  142 GLN   A CA   
2285 C  C    . GLN   A 142 ? 0.0996 0.1161 0.1082 -0.0115 -0.0059 -0.0045 142 GLN   A C    
2286 O  O    . GLN   A 142 ? 0.1231 0.1265 0.1018 -0.0194 -0.0063 0.0131  142 GLN   A O    
2287 C  CB   . GLN   A 142 ? 0.1054 0.1393 0.1149 -0.0145 -0.0136 -0.0081 142 GLN   A CB   
2288 C  CG   . GLN   A 142 ? 0.1253 0.1427 0.1245 -0.0090 0.0101  0.0089  142 GLN   A CG   
2289 C  CD   . GLN   A 142 ? 0.1412 0.1453 0.1428 -0.0093 -0.0108 0.0016  142 GLN   A CD   
2290 O  OE1  . GLN   A 142 ? 0.1449 0.1811 0.1648 -0.0139 -0.0348 0.0206  142 GLN   A OE1  
2291 N  NE2  . GLN   A 142 ? 0.1535 0.1625 0.1353 -0.0106 -0.0152 0.0176  142 GLN   A NE2  
2292 H  H    . GLN   A 142 ? 0.1103 0.1099 0.1059 -0.0036 -0.0050 0.0043  142 GLN   A H    
2293 H  HA   . GLN   A 142 ? 0.1116 0.1136 0.0976 -0.0052 -0.0093 0.0135  142 GLN   A HA   
2294 H  HB2  . GLN   A 142 ? 0.1129 0.1293 0.1197 -0.0084 -0.0067 -0.0014 142 GLN   A HB2  
2295 H  HB3  . GLN   A 142 ? 0.0988 0.1261 0.1145 -0.0179 -0.0160 -0.0062 142 GLN   A HB3  
2296 H  HG2  . GLN   A 142 ? 0.1287 0.1348 0.1266 -0.0032 -0.0003 0.0028  142 GLN   A HG2  
2297 H  HG3  . GLN   A 142 ? 0.1230 0.1388 0.1237 -0.0055 0.0051  0.0022  142 GLN   A HG3  
2298 H  HE21 . GLN   A 142 ? 0.1414 0.1461 0.1335 0.0001  -0.0080 0.0074  142 GLN   A HE21 
2299 H  HE22 . GLN   A 142 ? 0.1437 0.1486 0.1381 -0.0028 -0.0064 0.0093  142 GLN   A HE22 
2300 N  N    . GLU   A 143 ? 0.1168 0.1266 0.1024 -0.0180 -0.0104 -0.0047 143 GLU   A N    
2301 C  CA   . GLU   A 143 ? 0.1288 0.1369 0.1128 -0.0144 -0.0105 0.0039  143 GLU   A CA   
2302 C  C    . GLU   A 143 ? 0.1182 0.1278 0.1264 -0.0128 -0.0048 0.0149  143 GLU   A C    
2303 O  O    . GLU   A 143 ? 0.1278 0.1409 0.1281 -0.0121 -0.0194 0.0058  143 GLU   A O    
2304 C  CB   . GLU   A 143 ? 0.1266 0.1349 0.1168 -0.0177 -0.0140 0.0069  143 GLU   A CB   
2305 C  CG   . GLU   A 143 ? 0.1370 0.1468 0.1167 -0.0107 -0.0158 0.0062  143 GLU   A CG   
2306 C  CD   . GLU   A 143 ? 0.1412 0.1621 0.1506 -0.0047 -0.0069 -0.0140 143 GLU   A CD   
2307 O  OE1  . GLU   A 143 ? 0.1571 0.1762 0.1932 -0.0197 -0.0113 -0.0304 143 GLU   A OE1  
2308 O  OE2  . GLU   A 143 ? 0.1474 0.1651 0.1340 -0.0202 0.0095  -0.0168 143 GLU   A OE2  
2309 H  H    . GLU   A 143 ? 0.1135 0.1224 0.1117 -0.0060 -0.0062 -0.0028 143 GLU   A H    
2310 H  HA   . GLU   A 143 ? 0.1226 0.1265 0.1173 -0.0112 -0.0080 0.0065  143 GLU   A HA   
2311 H  HB2  . GLU   A 143 ? 0.1288 0.1334 0.1201 -0.0119 -0.0107 0.0035  143 GLU   A HB2  
2312 H  HB3  . GLU   A 143 ? 0.1203 0.1348 0.1203 -0.0116 -0.0121 0.0038  143 GLU   A HB3  
2313 H  HG2  . GLU   A 143 ? 0.1338 0.1435 0.1257 -0.0091 -0.0107 -0.0003 143 GLU   A HG2  
2314 H  HG3  . GLU   A 143 ? 0.1282 0.1442 0.1292 -0.0098 -0.0110 0.0011  143 GLU   A HG3  
2315 N  N    . VAL   A 144 ? 0.1230 0.1236 0.1226 -0.0175 -0.0150 0.0049  144 VAL   A N    
2316 C  CA   . VAL   A 144 ? 0.1192 0.1469 0.1193 -0.0167 -0.0192 -0.0043 144 VAL   A CA   
2317 C  C    . VAL   A 144 ? 0.1236 0.1413 0.1313 -0.0326 -0.0068 0.0066  144 VAL   A C    
2318 O  O    . VAL   A 144 ? 0.1326 0.1318 0.1389 -0.0282 -0.0054 0.0057  144 VAL   A O    
2319 C  CB   . VAL   A 144 ? 0.1351 0.1441 0.1391 -0.0311 0.0007  0.0031  144 VAL   A CB   
2320 C  CG1  . VAL   A 144 ? 0.1573 0.1547 0.1319 -0.0245 -0.0019 0.0015  144 VAL   A CG1  
2321 C  CG2  . VAL   A 144 ? 0.1405 0.1589 0.1579 -0.0333 -0.0094 0.0085  144 VAL   A CG2  
2322 H  H    . VAL   A 144 ? 0.1221 0.1274 0.1235 -0.0032 -0.0064 0.0005  144 VAL   A H    
2323 H  HA   . VAL   A 144 ? 0.1249 0.1371 0.1246 -0.0140 -0.0120 0.0031  144 VAL   A HA   
2324 H  HB   . VAL   A 144 ? 0.1370 0.1435 0.1380 -0.0217 -0.0051 0.0033  144 VAL   A HB   
2325 H  HG11 . VAL   A 144 ? 0.1462 0.1487 0.1407 -0.0092 -0.0017 0.0026  144 VAL   A HG11 
2326 H  HG12 . VAL   A 144 ? 0.1512 0.1500 0.1452 -0.0143 -0.0030 0.0028  144 VAL   A HG12 
2327 H  HG13 . VAL   A 144 ? 0.1479 0.1517 0.1399 -0.0168 -0.0017 0.0040  144 VAL   A HG13 
2328 H  HG21 . VAL   A 144 ? 0.1425 0.1557 0.1517 -0.0223 -0.0046 0.0069  144 VAL   A HG21 
2329 H  HG22 . VAL   A 144 ? 0.1539 0.1553 0.1583 -0.0213 -0.0058 0.0047  144 VAL   A HG22 
2330 H  HG23 . VAL   A 144 ? 0.1424 0.1516 0.1505 -0.0219 -0.0037 -0.0002 144 VAL   A HG23 
2331 N  N    . LYS   A 145 ? 0.1446 0.1528 0.1163 -0.0319 -0.0199 0.0171  145 LYS   A N    
2332 C  CA   . LYS   A 145 ? 0.1574 0.1575 0.1392 -0.0145 0.0082  -0.0030 145 LYS   A CA   
2333 C  C    . LYS   A 145 ? 0.1526 0.1540 0.1470 -0.0154 0.0002  -0.0085 145 LYS   A C    
2334 O  O    . LYS   A 145 ? 0.1616 0.1623 0.1786 -0.0293 0.0025  0.0141  145 LYS   A O    
2335 C  CB   . LYS   A 145 ? 0.1946 0.2119 0.1477 -0.0384 -0.0078 -0.0003 145 LYS   A CB   
2336 C  CG   . LYS   A 145 ? 0.2213 0.2325 0.2101 -0.0104 0.0139  -0.0169 145 LYS   A CG   
2337 C  CD   . LYS   A 145 ? 0.3379 0.2988 0.2262 -0.0172 0.0209  -0.0395 145 LYS   A CD   
2338 C  CE   . LYS   A 145 ? 0.3648 0.3496 0.3109 0.0094  -0.0063 -0.0043 145 LYS   A CE   
2339 N  NZ   . LYS   A 145 ? 0.4339 0.4367 0.3156 -0.0138 -0.0440 -0.0099 145 LYS   A NZ   
2340 H  H    . LYS   A 145 ? 0.1341 0.1460 0.1272 -0.0045 -0.0077 0.0063  145 LYS   A H    
2341 H  HA   . LYS   A 145 ? 0.1600 0.1604 0.1437 -0.0142 0.0023  -0.0006 145 LYS   A HA   
2342 H  HB2  . LYS   A 145 ? 0.1799 0.1855 0.1684 -0.0149 0.0070  0.0032  145 LYS   A HB2  
2343 H  HB3  . LYS   A 145 ? 0.1913 0.2003 0.1727 -0.0176 0.0029  -0.0019 145 LYS   A HB3  
2344 H  HG2  . LYS   A 145 ? 0.2231 0.2264 0.2017 -0.0055 0.0085  -0.0098 145 LYS   A HG2  
2345 H  HG3  . LYS   A 145 ? 0.2259 0.2336 0.2032 -0.0131 0.0059  -0.0125 145 LYS   A HG3  
2346 H  HD2  . LYS   A 145 ? 0.2999 0.2836 0.2462 -0.0134 0.0045  -0.0068 145 LYS   A HD2  
2347 H  HD3  . LYS   A 145 ? 0.2955 0.2812 0.2534 0.0061  0.0071  -0.0204 145 LYS   A HD3  
2348 H  HE2  . LYS   A 145 ? 0.3331 0.3183 0.2731 -0.0136 -0.0117 0.0031  145 LYS   A HE2  
2349 H  HE3  . LYS   A 145 ? 0.3529 0.3292 0.2995 0.0120  -0.0097 -0.0134 145 LYS   A HE3  
2350 H  HZ1  . LYS   A 145 ? 0.4056 0.3878 0.3365 -0.0293 -0.0293 0.0194  145 LYS   A HZ1  
2351 H  HZ2  . LYS   A 145 ? 0.3745 0.3842 0.3395 -0.0020 0.0146  -0.0014 145 LYS   A HZ2  
2352 H  HZ3  . LYS   A 145 ? 0.4146 0.3783 0.3637 0.0176  -0.0250 -0.0115 145 LYS   A HZ3  
2353 N  N    . LEU   A 146 ? 0.1295 0.1433 0.1517 -0.0451 0.0112  -0.0013 146 LEU   A N    
2354 C  CA   . LEU   A 146 ? 0.1283 0.1594 0.1428 -0.0217 0.0210  0.0022  146 LEU   A CA   
2355 C  C    . LEU   A 146 ? 0.1426 0.1573 0.1441 -0.0116 0.0045  -0.0034 146 LEU   A C    
2356 O  O    . LEU   A 146 ? 0.1536 0.1612 0.1830 -0.0211 0.0174  -0.0152 146 LEU   A O    
2357 C  CB   . LEU   A 146 ? 0.1264 0.1514 0.1364 -0.0312 0.0312  0.0083  146 LEU   A CB   
2358 C  CG   . LEU   A 146 ? 0.1600 0.1509 0.1368 -0.0290 0.0069  0.0056  146 LEU   A CG   
2359 C  CD1  . LEU   A 146 ? 0.1441 0.1568 0.1388 -0.0252 0.0128  -0.0054 146 LEU   A CD1  
2360 C  CD2  . LEU   A 146 ? 0.1679 0.1624 0.1678 -0.0131 0.0088  0.0042  146 LEU   A CD2  
2361 H  H    . LEU   A 146 ? 0.1499 0.1508 0.1484 -0.0168 0.0093  -0.0020 146 LEU   A H    
2362 H  HA   . LEU   A 146 ? 0.1441 0.1536 0.1472 -0.0108 0.0072  0.0027  146 LEU   A HA   
2363 H  HB2  . LEU   A 146 ? 0.1456 0.1478 0.1369 -0.0132 0.0130  0.0046  146 LEU   A HB2  
2364 H  HB3  . LEU   A 146 ? 0.0984 0.1310 0.1054 -0.0398 0.0323  0.0141  146 LEU   A HB3  
2365 H  HG   . LEU   A 146 ? 0.1379 0.1482 0.1372 -0.0190 0.0126  0.0044  146 LEU   A HG   
2366 H  HD11 . LEU   A 146 ? 0.1531 0.1529 0.1402 -0.0132 0.0085  -0.0011 146 LEU   A HD11 
2367 H  HD12 . LEU   A 146 ? 0.1482 0.1529 0.1411 -0.0174 0.0076  0.0015  146 LEU   A HD12 
2368 H  HD13 . LEU   A 146 ? 0.1372 0.1488 0.1329 -0.0174 0.0128  0.0030  146 LEU   A HD13 
2369 H  HD21 . LEU   A 146 ? 0.1576 0.1555 0.1565 -0.0063 0.0044  0.0017  146 LEU   A HD21 
2370 H  HD22 . LEU   A 146 ? 0.1612 0.1623 0.1588 -0.0109 0.0062  0.0041  146 LEU   A HD22 
2371 H  HD23 . LEU   A 146 ? 0.1611 0.1580 0.1667 -0.0108 0.0088  0.0038  146 LEU   A HD23 
2372 N  N    . ARG   A 147 ? 0.1458 0.1581 0.1428 -0.0130 0.0069  0.0105  147 ARG   A N    
2373 C  CA   . ARG   A 147 ? 0.1583 0.1604 0.1408 -0.0018 0.0108  0.0031  147 ARG   A CA   
2374 C  C    . ARG   A 147 ? 0.1464 0.1329 0.1282 -0.0331 0.0101  -0.0095 147 ARG   A C    
2375 O  O    . ARG   A 147 ? 0.1470 0.1505 0.1338 -0.0331 0.0158  -0.0303 147 ARG   A O    
2376 C  CB   . ARG   A 147 ? 0.1795 0.1959 0.1677 -0.0270 0.0030  0.0027  147 ARG   A CB   
2377 C  CG   . ARG   A 147 ? 0.2389 0.1994 0.1974 -0.0187 0.0206  -0.0038 147 ARG   A CG   
2378 C  CD   . ARG   A 147 ? 0.2600 0.2662 0.2491 -0.0329 0.0099  0.0107  147 ARG   A CD   
2379 N  NE   . ARG   A 147 ? 0.3226 0.2913 0.2806 -0.0231 0.0086  -0.0260 147 ARG   A NE   
2380 C  CZ   . ARG   A 147 ? 0.3931 0.2794 0.3080 -0.0262 -0.0070 -0.0194 147 ARG   A CZ   
2381 N  NH1  . ARG   A 147 ? 0.3449 0.2847 0.2953 -0.0693 -0.0205 0.0142  147 ARG   A NH1  
2382 N  NH2  . ARG   A 147 ? 0.3981 0.3110 0.3848 -0.1374 0.0172  -0.0488 147 ARG   A NH2  
2383 H  H    . ARG   A 147 ? 0.1533 0.1597 0.1473 -0.0038 0.0038  0.0054  147 ARG   A H    
2384 H  HA   . ARG   A 147 ? 0.1512 0.1637 0.1465 -0.0056 0.0086  -0.0007 147 ARG   A HA   
2385 H  HB2  . ARG   A 147 ? 0.1879 0.1870 0.1785 -0.0101 0.0047  0.0046  147 ARG   A HB2  
2386 H  HB3  . ARG   A 147 ? 0.1819 0.1831 0.1763 -0.0106 0.0030  0.0027  147 ARG   A HB3  
2387 H  HG2  . ARG   A 147 ? 0.2212 0.2098 0.2092 -0.0155 0.0092  0.0034  147 ARG   A HG2  
2388 H  HG3  . ARG   A 147 ? 0.2117 0.2115 0.2027 -0.0097 0.0095  0.0016  147 ARG   A HG3  
2389 H  HD2  . ARG   A 147 ? 0.2531 0.2492 0.2466 -0.0180 0.0097  -0.0006 147 ARG   A HD2  
2390 H  HD3  . ARG   A 147 ? 0.2598 0.2525 0.2481 -0.0180 0.0037  0.0001  147 ARG   A HD3  
2391 H  HE   . ARG   A 147 ? 0.3228 0.2850 0.2804 -0.0241 0.0092  -0.0159 147 ARG   A HE   
2392 H  HH11 . ARG   A 147 ? 0.3352 0.2942 0.2850 -0.0301 -0.0118 -0.0019 147 ARG   A HH11 
2393 H  HH12 . ARG   A 147 ? 0.3490 0.2867 0.2841 -0.0354 -0.0112 0.0144  147 ARG   A HH12 
2394 H  HH21 . ARG   A 147 ? 0.3818 0.3099 0.3698 -0.0676 0.0122  -0.0141 147 ARG   A HH21 
2395 H  HH22 . ARG   A 147 ? 0.3855 0.3353 0.3584 -0.0596 0.0123  -0.0169 147 ARG   A HH22 
2396 N  N    . LEU   A 148 ? 0.1325 0.1529 0.1390 -0.0303 0.0180  -0.0138 148 LEU   A N    
2397 C  CA   A LEU   A 148 ? 0.1415 0.1472 0.1490 -0.0068 -0.0005 -0.0201 148 LEU   A CA   
2398 C  CA   B LEU   A 148 ? 0.1443 0.1477 0.1509 -0.0082 -0.0024 -0.0200 148 LEU   A CA   
2399 C  C    . LEU   A 148 ? 0.1597 0.1479 0.1467 -0.0187 0.0131  -0.0307 148 LEU   A C    
2400 O  O    . LEU   A 148 ? 0.1857 0.1790 0.1462 -0.0301 0.0213  -0.0525 148 LEU   A O    
2401 C  CB   A LEU   A 148 ? 0.1547 0.1568 0.1752 0.0008  0.0098  -0.0172 148 LEU   A CB   
2402 C  CB   B LEU   A 148 ? 0.1628 0.1706 0.1935 0.0082  0.0060  -0.0176 148 LEU   A CB   
2403 C  CG   A LEU   A 148 ? 0.1598 0.1699 0.1558 -0.0115 0.0105  -0.0111 148 LEU   A CG   
2404 C  CG   B LEU   A 148 ? 0.1791 0.1721 0.1870 -0.0040 0.0056  -0.0087 148 LEU   A CG   
2405 C  CD1  A LEU   A 148 ? 0.1701 0.1785 0.1788 -0.0028 0.0165  0.0008  148 LEU   A CD1  
2406 C  CD1  B LEU   A 148 ? 0.1791 0.1788 0.1681 -0.0003 0.0121  0.0006  148 LEU   A CD1  
2407 C  CD2  A LEU   A 148 ? 0.1694 0.1542 0.1659 -0.0163 0.0176  -0.0098 148 LEU   A CD2  
2408 C  CD2  B LEU   A 148 ? 0.1882 0.1887 0.1794 0.0125  0.0063  0.0060  148 LEU   A CD2  
2409 H  H    . LEU   A 148 ? 0.1360 0.1482 0.1371 -0.0095 0.0080  -0.0120 148 LEU   A H    
2410 H  HA   A LEU   A 148 ? 0.1470 0.1438 0.1442 -0.0127 0.0062  -0.0127 148 LEU   A HA   
2411 H  HA   B LEU   A 148 ? 0.1492 0.1458 0.1459 -0.0126 0.0051  -0.0134 148 LEU   A HA   
2412 H  HB2  A LEU   A 148 ? 0.1555 0.1590 0.1611 -0.0037 0.0072  -0.0062 148 LEU   A HB2  
2413 H  HB2  B LEU   A 148 ? 0.1706 0.1737 0.1850 0.0035  0.0022  -0.0119 148 LEU   A HB2  
2414 H  HB3  A LEU   A 148 ? 0.1547 0.1685 0.1726 -0.0031 0.0056  -0.0107 148 LEU   A HB3  
2415 H  HB3  B LEU   A 148 ? 0.1645 0.1686 0.1740 0.0010  0.0053  -0.0049 148 LEU   A HB3  
2416 H  HG   A LEU   A 148 ? 0.1669 0.1676 0.1637 -0.0073 0.0107  -0.0040 148 LEU   A HG   
2417 H  HG   B LEU   A 148 ? 0.1764 0.1726 0.1831 -0.0006 0.0068  -0.0039 148 LEU   A HG   
2418 H  HD11 A LEU   A 148 ? 0.1716 0.1790 0.1763 -0.0014 0.0101  0.0017  148 LEU   A HD11 
2419 H  HD11 B LEU   A 148 ? 0.1735 0.1726 0.1703 -0.0036 0.0041  0.0001  148 LEU   A HD11 
2420 H  HD12 A LEU   A 148 ? 0.1679 0.1727 0.1715 -0.0005 0.0101  -0.0013 148 LEU   A HD12 
2421 H  HD12 B LEU   A 148 ? 0.1772 0.1744 0.1738 -0.0028 0.0062  0.0016  148 LEU   A HD12 
2422 H  HD13 A LEU   A 148 ? 0.1681 0.1763 0.1729 -0.0020 0.0100  -0.0041 148 LEU   A HD13 
2423 H  HD13 B LEU   A 148 ? 0.1764 0.1724 0.1732 -0.0002 0.0057  -0.0018 148 LEU   A HD13 
2424 H  HD21 A LEU   A 148 ? 0.1661 0.1628 0.1647 -0.0087 0.0119  -0.0053 148 LEU   A HD21 
2425 H  HD21 B LEU   A 148 ? 0.1875 0.1847 0.1811 0.0070  0.0002  -0.0036 148 LEU   A HD21 
2426 H  HD22 A LEU   A 148 ? 0.1604 0.1602 0.1631 -0.0061 0.0116  -0.0061 148 LEU   A HD22 
2427 H  HD22 B LEU   A 148 ? 0.1819 0.1801 0.1769 0.0036  0.0029  0.0019  148 LEU   A HD22 
2428 H  HD23 A LEU   A 148 ? 0.1708 0.1683 0.1632 -0.0073 0.0122  -0.0070 148 LEU   A HD23 
2429 H  HD23 B LEU   A 148 ? 0.1847 0.1847 0.1832 0.0042  0.0045  0.0034  148 LEU   A HD23 
2430 N  N    . MET   A 149 ? 0.1536 0.1368 0.1318 -0.0258 0.0082  -0.0298 149 MET   A N    
2431 C  CA   . MET   A 149 ? 0.1431 0.1544 0.1390 -0.0169 -0.0002 -0.0137 149 MET   A CA   
2432 C  C    . MET   A 149 ? 0.1429 0.1347 0.1378 -0.0196 0.0123  -0.0262 149 MET   A C    
2433 O  O    . MET   A 149 ? 0.1761 0.1446 0.1575 -0.0089 0.0008  -0.0167 149 MET   A O    
2434 C  CB   . MET   A 149 ? 0.1541 0.1449 0.1438 -0.0252 0.0066  -0.0239 149 MET   A CB   
2435 C  CG   . MET   A 149 ? 0.1633 0.1612 0.1548 -0.0182 0.0014  -0.0159 149 MET   A CG   
2436 S  SD   . MET   A 149 ? 0.1924 0.1889 0.1626 -0.0010 -0.0041 -0.0114 149 MET   A SD   
2437 C  CE   . MET   A 149 ? 0.1921 0.1804 0.2052 -0.0028 -0.0256 -0.0219 149 MET   A CE   
2438 H  H    . MET   A 149 ? 0.1612 0.1320 0.1241 -0.0180 0.0029  -0.0237 149 MET   A H    
2439 H  HA   . MET   A 149 ? 0.1466 0.1485 0.1435 -0.0179 0.0016  -0.0194 149 MET   A HA   
2440 H  HB2  . MET   A 149 ? 0.1481 0.1479 0.1458 -0.0157 0.0014  -0.0159 149 MET   A HB2  
2441 H  HB3  . MET   A 149 ? 0.1450 0.1467 0.1488 -0.0121 0.0075  -0.0124 149 MET   A HB3  
2442 H  HG2  . MET   A 149 ? 0.1562 0.1562 0.1548 -0.0083 0.0022  -0.0125 149 MET   A HG2  
2443 H  HG3  . MET   A 149 ? 0.1629 0.1622 0.1575 -0.0051 -0.0035 -0.0102 149 MET   A HG3  
2444 H  HE1  . MET   A 149 ? 0.1924 0.1899 0.1909 -0.0034 -0.0148 -0.0105 149 MET   A HE1  
2445 H  HE2  . MET   A 149 ? 0.1876 0.1915 0.1824 -0.0020 -0.0074 -0.0113 149 MET   A HE2  
2446 H  HE3  . MET   A 149 ? 0.1878 0.1904 0.1880 -0.0031 -0.0129 -0.0098 149 MET   A HE3  
2447 N  N    . ASP   A 150 ? 0.1732 0.1400 0.1430 -0.0351 -0.0045 -0.0228 150 ASP   A N    
2448 C  CA   . ASP   A 150 ? 0.1784 0.1614 0.1443 -0.0125 -0.0022 -0.0064 150 ASP   A CA   
2449 C  C    . ASP   A 150 ? 0.1476 0.1512 0.1554 -0.0184 0.0032  -0.0165 150 ASP   A C    
2450 O  O    . ASP   A 150 ? 0.1711 0.1398 0.1561 -0.0209 0.0210  -0.0119 150 ASP   A O    
2451 C  CB   . ASP   A 150 ? 0.2072 0.1893 0.1936 -0.0318 -0.0099 -0.0210 150 ASP   A CB   
2452 C  CG   . ASP   A 150 ? 0.2777 0.1873 0.2282 -0.0117 -0.0086 -0.0384 150 ASP   A CG   
2453 O  OD1  . ASP   A 150 ? 0.3903 0.3931 0.3128 0.0615  -0.0835 -0.0950 150 ASP   A OD1  
2454 O  OD2  . ASP   A 150 ? 0.2900 0.3154 0.3115 -0.0118 0.0210  -0.1098 150 ASP   A OD2  
2455 H  H    . ASP   A 150 ? 0.1597 0.1502 0.1518 -0.0205 -0.0025 -0.0164 150 ASP   A H    
2456 H  HA   . ASP   A 150 ? 0.1771 0.1715 0.1628 -0.0092 -0.0017 -0.0118 150 ASP   A HA   
2457 H  HB2  . ASP   A 150 ? 0.2170 0.2045 0.1921 -0.0142 -0.0056 -0.0166 150 ASP   A HB2  
2458 H  HB3  . ASP   A 150 ? 0.2081 0.2006 0.2009 -0.0142 -0.0039 -0.0084 150 ASP   A HB3  
2459 N  N    . PRO   A 151 ? 0.1597 0.1385 0.1501 -0.0135 0.0109  -0.0212 151 PRO   A N    
2460 C  CA   . PRO   A 151 ? 0.1518 0.1335 0.1373 -0.0205 0.0015  -0.0125 151 PRO   A CA   
2461 C  C    . PRO   A 151 ? 0.1503 0.1282 0.1343 -0.0063 -0.0032 -0.0027 151 PRO   A C    
2462 O  O    . PRO   A 151 ? 0.1713 0.1251 0.1353 -0.0169 0.0117  -0.0011 151 PRO   A O    
2463 C  CB   . PRO   A 151 ? 0.1623 0.1464 0.1479 -0.0118 0.0059  -0.0088 151 PRO   A CB   
2464 C  CG   . PRO   A 151 ? 0.1528 0.1310 0.1670 -0.0074 0.0108  -0.0059 151 PRO   A CG   
2465 C  CD   . PRO   A 151 ? 0.1696 0.1512 0.1605 0.0047  -0.0065 -0.0129 151 PRO   A CD   
2466 H  HA   . PRO   A 151 ? 0.1426 0.1330 0.1411 -0.0137 0.0015  -0.0108 151 PRO   A HA   
2467 H  HB2  . PRO   A 151 ? 0.1540 0.1422 0.1482 -0.0081 0.0039  -0.0067 151 PRO   A HB2  
2468 H  HB3  . PRO   A 151 ? 0.1536 0.1465 0.1515 -0.0027 0.0061  -0.0067 151 PRO   A HB3  
2469 H  HG2  . PRO   A 151 ? 0.1447 0.1442 0.1629 -0.0053 0.0068  -0.0042 151 PRO   A HG2  
2470 H  HG3  . PRO   A 151 ? 0.1528 0.1462 0.1602 -0.0035 0.0055  -0.0058 151 PRO   A HG3  
2471 H  HD2  . PRO   A 151 ? 0.1607 0.1470 0.1542 -0.0023 0.0012  -0.0072 151 PRO   A HD2  
2472 H  HD3  . PRO   A 151 ? 0.1655 0.1465 0.1602 0.0052  -0.0070 -0.0115 151 PRO   A HD3  
2473 N  N    . GLN   A 152 ? 0.1576 0.1242 0.1502 -0.0157 -0.0051 -0.0153 152 GLN   A N    
2474 C  CA   . GLN   A 152 ? 0.1628 0.1330 0.1571 -0.0032 0.0021  -0.0099 152 GLN   A CA   
2475 C  C    . GLN   A 152 ? 0.1284 0.1252 0.1334 -0.0237 -0.0022 -0.0060 152 GLN   A C    
2476 O  O    . GLN   A 152 ? 0.1465 0.1362 0.1472 -0.0271 0.0079  -0.0109 152 GLN   A O    
2477 C  CB   . GLN   A 152 ? 0.1823 0.1824 0.2275 -0.0177 -0.0095 -0.0258 152 GLN   A CB   
2478 C  CG   . GLN   A 152 ? 0.2289 0.2017 0.2173 -0.0106 -0.0031 -0.0046 152 GLN   A CG   
2479 C  CD   . GLN   A 152 ? 0.2346 0.2343 0.2195 -0.0020 0.0110  -0.0316 152 GLN   A CD   
2480 O  OE1  . GLN   A 152 ? 0.2154 0.1850 0.2562 -0.0154 0.0121  -0.0550 152 GLN   A OE1  
2481 N  NE2  . GLN   A 152 ? 0.2972 0.2322 0.2709 -0.0125 -0.0235 -0.0511 152 GLN   A NE2  
2482 H  H    . GLN   A 152 ? 0.1576 0.1336 0.1403 -0.0052 -0.0021 -0.0104 152 GLN   A H    
2483 H  HA   . GLN   A 152 ? 0.1562 0.1394 0.1565 -0.0101 -0.0018 -0.0108 152 GLN   A HA   
2484 H  HB2  . GLN   A 152 ? 0.1876 0.1754 0.1977 -0.0104 -0.0074 -0.0131 152 GLN   A HB2  
2485 H  HB3  . GLN   A 152 ? 0.1893 0.1927 0.2047 -0.0133 -0.0045 -0.0161 152 GLN   A HB3  
2486 H  HG2  . GLN   A 152 ? 0.2079 0.2028 0.2088 -0.0031 0.0014  -0.0051 152 GLN   A HG2  
2487 H  HG3  . GLN   A 152 ? 0.2161 0.2072 0.2196 -0.0006 0.0065  -0.0097 152 GLN   A HG3  
2488 H  HE21 . GLN   A 152 ? 0.2616 0.2369 0.2593 -0.0060 -0.0148 -0.0198 152 GLN   A HE21 
2489 H  HE22 . GLN   A 152 ? 0.2635 0.2328 0.2562 -0.0174 0.0117  -0.0315 152 GLN   A HE22 
2490 N  N    . ALA   A 153 ? 0.1389 0.1130 0.1165 -0.0253 0.0050  -0.0176 153 ALA   A N    
2491 C  CA   . ALA   A 153 ? 0.1256 0.1236 0.1193 -0.0201 0.0006  -0.0062 153 ALA   A CA   
2492 C  C    . ALA   A 153 ? 0.1117 0.1137 0.1074 -0.0135 -0.0005 -0.0003 153 ALA   A C    
2493 O  O    . ALA   A 153 ? 0.1251 0.1291 0.1214 -0.0038 -0.0060 -0.0131 153 ALA   A O    
2494 C  CB   . ALA   A 153 ? 0.1324 0.1239 0.1201 -0.0154 0.0101  -0.0116 153 ALA   A CB   
2495 H  H    . ALA   A 153 ? 0.1284 0.1200 0.1233 -0.0112 -0.0015 -0.0088 153 ALA   A H    
2496 H  HA   . ALA   A 153 ? 0.1244 0.1206 0.1185 -0.0160 0.0025  -0.0066 153 ALA   A HA   
2497 H  HB1  . ALA   A 153 ? 0.1278 0.1197 0.1177 -0.0104 0.0052  -0.0066 153 ALA   A HB1  
2498 H  HB2  . ALA   A 153 ? 0.1285 0.1282 0.1200 -0.0108 0.0053  -0.0078 153 ALA   A HB2  
2499 H  HB3  . ALA   A 153 ? 0.1298 0.1233 0.1209 -0.0118 0.0077  -0.0070 153 ALA   A HB3  
2500 N  N    . CYS   A 154 ? 0.1195 0.0936 0.1085 -0.0227 -0.0014 -0.0077 154 CYS   A N    
2501 C  CA   . CYS   A 154 ? 0.1093 0.0989 0.1021 -0.0036 -0.0009 -0.0119 154 CYS   A CA   
2502 C  C    . CYS   A 154 ? 0.1214 0.1071 0.1154 -0.0151 0.0018  -0.0059 154 CYS   A C    
2503 O  O    . CYS   A 154 ? 0.1211 0.1162 0.1059 -0.0115 0.0034  -0.0058 154 CYS   A O    
2504 C  CB   . CYS   A 154 ? 0.1107 0.1129 0.0962 -0.0036 0.0152  -0.0063 154 CYS   A CB   
2505 S  SG   . CYS   A 154 ? 0.1203 0.1088 0.1179 -0.0179 0.0104  -0.0038 154 CYS   A SG   
2506 H  H    . CYS   A 154 ? 0.1169 0.1117 0.1080 -0.0076 -0.0002 -0.0054 154 CYS   A H    
2507 H  HA   . CYS   A 154 ? 0.1104 0.1034 0.1057 -0.0005 0.0015  -0.0066 154 CYS   A HA   
2508 H  HB2  . CYS   A 154 ? 0.1117 0.1089 0.1044 -0.0025 0.0066  -0.0031 154 CYS   A HB2  
2509 H  HB3  . CYS   A 154 ? 0.1107 0.1077 0.1050 -0.0058 0.0057  -0.0077 154 CYS   A HB3  
2510 H  HG   . CYS   A 154 ? 0.1163 0.1131 0.1120 -0.0089 0.0076  0.0004  154 CYS   A HG   
2511 N  N    . SER   A 155 ? 0.1318 0.1125 0.1143 -0.0204 0.0084  -0.0132 155 SER   A N    
2512 C  CA   . SER   A 155 ? 0.1169 0.1128 0.1203 -0.0028 0.0044  0.0002  155 SER   A CA   
2513 C  C    . SER   A 155 ? 0.1310 0.1012 0.1204 -0.0145 -0.0020 -0.0012 155 SER   A C    
2514 O  O    . SER   A 155 ? 0.1275 0.1075 0.1177 -0.0024 0.0053  -0.0026 155 SER   A O    
2515 C  CB   . SER   A 155 ? 0.1278 0.1185 0.1139 -0.0114 0.0029  0.0028  155 SER   A CB   
2516 O  OG   . SER   A 155 ? 0.1628 0.1190 0.1346 -0.0241 0.0185  0.0118  155 SER   A OG   
2517 H  H    . SER   A 155 ? 0.1217 0.1117 0.1144 -0.0107 0.0034  -0.0069 155 SER   A H    
2518 H  HA   . SER   A 155 ? 0.1198 0.1145 0.1182 -0.0030 0.0012  -0.0006 155 SER   A HA   
2519 H  HB2  . SER   A 155 ? 0.1287 0.1210 0.1211 -0.0048 0.0047  0.0033  155 SER   A HB2  
2520 H  HB3  . SER   A 155 ? 0.1273 0.1219 0.1222 -0.0056 0.0053  0.0032  155 SER   A HB3  
2521 H  HG   . SER   A 155 ? 0.1341 0.1341 0.1341 0.0000  0.0000  0.0000  155 SER   A HG   
2522 N  N    . HIS   A 156 ? 0.1046 0.1086 0.1124 -0.0166 -0.0005 -0.0022 156 HIS   A N    
2523 C  CA   . HIS   A 156 ? 0.1162 0.1143 0.1383 -0.0137 0.0143  -0.0045 156 HIS   A CA   
2524 C  C    . HIS   A 156 ? 0.1190 0.1177 0.1198 -0.0054 0.0051  0.0025  156 HIS   A C    
2525 O  O    . HIS   A 156 ? 0.1448 0.1260 0.1267 0.0018  0.0081  -0.0110 156 HIS   A O    
2526 C  CB   . HIS   A 156 ? 0.1263 0.1216 0.1154 -0.0102 0.0028  -0.0122 156 HIS   A CB   
2527 C  CG   . HIS   A 156 ? 0.1391 0.1249 0.1179 -0.0056 0.0010  -0.0012 156 HIS   A CG   
2528 N  ND1  . HIS   A 156 ? 0.1389 0.1176 0.1282 -0.0087 -0.0033 -0.0128 156 HIS   A ND1  
2529 C  CD2  . HIS   A 156 ? 0.1481 0.1208 0.1262 -0.0027 0.0127  -0.0098 156 HIS   A CD2  
2530 C  CE1  . HIS   A 156 ? 0.1400 0.1283 0.1155 -0.0003 0.0094  -0.0114 156 HIS   A CE1  
2531 N  NE2  . HIS   A 156 ? 0.1355 0.1209 0.1277 -0.0016 0.0016  -0.0001 156 HIS   A NE2  
2532 H  H    . HIS   A 156 ? 0.1165 0.1113 0.1133 -0.0115 0.0002  -0.0015 156 HIS   A H    
2533 H  HA   . HIS   A 156 ? 0.1150 0.1153 0.1182 -0.0082 0.0070  -0.0023 156 HIS   A HA   
2534 H  HB2  . HIS   A 156 ? 0.1230 0.1172 0.1174 -0.0013 0.0028  -0.0039 156 HIS   A HB2  
2535 H  HB3  . HIS   A 156 ? 0.1185 0.1180 0.1190 -0.0054 0.0016  -0.0075 156 HIS   A HB3  
2536 H  HD1  . HIS   A 156 ? 0.1336 0.1180 0.1209 -0.0078 0.0000  -0.0106 156 HIS   A HD1  
2537 H  HD2  . HIS   A 156 ? 0.1446 0.1203 0.1226 0.0019  0.0059  -0.0063 156 HIS   A HD2  
2538 H  HE1  . HIS   A 156 ? 0.1298 0.1240 0.1163 0.0000  0.0057  -0.0087 156 HIS   A HE1  
2539 H  HE2  . HIS   A 156 ? 0.1351 0.1234 0.1240 -0.0021 0.0063  -0.0015 156 HIS   A HE2  
2540 N  N    . PHE   A 157 ? 0.1172 0.1184 0.1064 -0.0154 -0.0018 -0.0075 157 PHE   A N    
2541 C  CA   . PHE   A 157 ? 0.1175 0.1074 0.1121 -0.0145 -0.0085 -0.0013 157 PHE   A CA   
2542 C  C    . PHE   A 157 ? 0.1094 0.1064 0.1221 -0.0062 0.0052  -0.0006 157 PHE   A C    
2543 O  O    . PHE   A 157 ? 0.1204 0.1014 0.1172 -0.0049 0.0057  -0.0006 157 PHE   A O    
2544 C  CB   . PHE   A 157 ? 0.1197 0.1068 0.1113 -0.0118 -0.0098 -0.0034 157 PHE   A CB   
2545 C  CG   . PHE   A 157 ? 0.1177 0.1083 0.1084 -0.0046 -0.0018 -0.0004 157 PHE   A CG   
2546 C  CD1  . PHE   A 157 ? 0.1312 0.1125 0.1120 0.0002  0.0049  -0.0015 157 PHE   A CD1  
2547 C  CD2  . PHE   A 157 ? 0.1060 0.0994 0.1056 -0.0104 -0.0063 -0.0073 157 PHE   A CD2  
2548 C  CE1  . PHE   A 157 ? 0.1217 0.1050 0.1120 -0.0047 0.0002  -0.0047 157 PHE   A CE1  
2549 C  CE2  . PHE   A 157 ? 0.1129 0.1068 0.1118 -0.0111 -0.0040 -0.0034 157 PHE   A CE2  
2550 C  CZ   . PHE   A 157 ? 0.1151 0.1002 0.1060 -0.0027 0.0014  0.0080  157 PHE   A CZ   
2551 H  H    . PHE   A 157 ? 0.1151 0.1129 0.1108 -0.0080 0.0002  -0.0055 157 PHE   A H    
2552 H  HA   . PHE   A 157 ? 0.1172 0.1142 0.1148 -0.0071 -0.0039 -0.0016 157 PHE   A HA   
2553 H  HB2  . PHE   A 157 ? 0.1163 0.1123 0.1118 -0.0052 -0.0047 -0.0018 157 PHE   A HB2  
2554 H  HB3  . PHE   A 157 ? 0.1111 0.1110 0.1092 -0.0085 -0.0049 -0.0011 157 PHE   A HB3  
2555 H  HD1  . PHE   A 157 ? 0.1302 0.1184 0.1138 -0.0011 0.0032  -0.0035 157 PHE   A HD1  
2556 H  HD2  . PHE   A 157 ? 0.1091 0.1031 0.1060 -0.0030 -0.0034 -0.0056 157 PHE   A HD2  
2557 H  HE1  . PHE   A 157 ? 0.1205 0.1077 0.1100 0.0006  0.0020  -0.0027 157 PHE   A HE1  
2558 H  HE2  . PHE   A 157 ? 0.1117 0.1069 0.1111 -0.0082 -0.0024 -0.0009 157 PHE   A HE2  
2559 H  HZ   . PHE   A 157 ? 0.1148 0.1015 0.1024 -0.0012 0.0000  0.0048  157 PHE   A HZ   
2560 N  N    . ARG   A 158 ? 0.1335 0.1174 0.1258 -0.0026 0.0083  0.0044  158 ARG   A N    
2561 C  CA   . ARG   A 158 ? 0.1533 0.1349 0.1253 -0.0080 0.0117  0.0182  158 ARG   A CA   
2562 C  C    . ARG   A 158 ? 0.1450 0.1299 0.1486 -0.0164 -0.0016 0.0162  158 ARG   A C    
2563 O  O    . ARG   A 158 ? 0.1623 0.1387 0.1567 -0.0124 0.0112  0.0298  158 ARG   A O    
2564 C  CB   . ARG   A 158 ? 0.1616 0.1340 0.1407 0.0020  0.0186  0.0007  158 ARG   A CB   
2565 C  CG   . ARG   A 158 ? 0.1601 0.1662 0.1603 -0.0098 0.0107  0.0142  158 ARG   A CG   
2566 C  CD   . ARG   A 158 ? 0.1599 0.1645 0.1625 -0.0083 0.0052  0.0213  158 ARG   A CD   
2567 N  NE   . ARG   A 158 ? 0.1617 0.1551 0.1777 0.0039  -0.0067 0.0046  158 ARG   A NE   
2568 C  CZ   . ARG   A 158 ? 0.1501 0.1799 0.1866 -0.0114 0.0005  0.0040  158 ARG   A CZ   
2569 N  NH1  . ARG   A 158 ? 0.2088 0.1952 0.1883 -0.0219 0.0002  0.0177  158 ARG   A NH1  
2570 N  NH2  . ARG   A 158 ? 0.1964 0.1564 0.2113 -0.0087 -0.0040 -0.0188 158 ARG   A NH2  
2571 H  H    . ARG   A 158 ? 0.1303 0.1236 0.1257 0.0000  0.0079  0.0022  158 ARG   A H    
2572 H  HA   . ARG   A 158 ? 0.1468 0.1398 0.1396 0.0000  0.0059  0.0055  158 ARG   A HA   
2573 H  HB2  . ARG   A 158 ? 0.1572 0.1463 0.1464 -0.0003 0.0080  0.0000  158 ARG   A HB2  
2574 H  HB3  . ARG   A 158 ? 0.1573 0.1408 0.1418 -0.0030 0.0106  0.0056  158 ARG   A HB3  
2575 H  HG2  . ARG   A 158 ? 0.1598 0.1581 0.1563 -0.0050 0.0085  0.0029  158 ARG   A HG2  
2576 H  HG3  . ARG   A 158 ? 0.1561 0.1578 0.1545 -0.0056 0.0043  0.0078  158 ARG   A HG3  
2577 H  HD2  . ARG   A 158 ? 0.1593 0.1633 0.1581 -0.0053 0.0023  0.0117  158 ARG   A HD2  
2578 H  HD3  . ARG   A 158 ? 0.1633 0.1655 0.1653 -0.0038 0.0025  0.0117  158 ARG   A HD3  
2579 H  HE   . ARG   A 158 ? 0.1628 0.1639 0.1702 -0.0022 0.0015  0.0025  158 ARG   A HE   
2580 H  HH11 . ARG   A 158 ? 0.1859 0.1885 0.1843 -0.0102 -0.0006 0.0052  158 ARG   A HH11 
2581 H  HH12 . ARG   A 158 ? 0.1933 0.1933 0.1911 -0.0021 -0.0022 0.0069  158 ARG   A HH12 
2582 H  HH21 . ARG   A 158 ? 0.1902 0.1738 0.2015 -0.0113 0.0028  -0.0112 158 ARG   A HH21 
2583 H  HH22 . ARG   A 158 ? 0.1788 0.1669 0.1827 -0.0138 -0.0045 -0.0121 158 ARG   A HH22 
2584 N  N    . ASP   A 159 ? 0.1355 0.1262 0.1317 -0.0103 -0.0007 0.0030  159 ASP   A N    
2585 C  CA   . ASP   A 159 ? 0.1457 0.1440 0.1339 -0.0029 0.0034  0.0065  159 ASP   A CA   
2586 C  C    . ASP   A 159 ? 0.1299 0.1359 0.1293 -0.0120 -0.0052 0.0025  159 ASP   A C    
2587 O  O    . ASP   A 159 ? 0.1362 0.1460 0.1347 -0.0123 0.0033  0.0151  159 ASP   A O    
2588 C  CB   . ASP   A 159 ? 0.1536 0.1539 0.1387 -0.0163 -0.0140 0.0138  159 ASP   A CB   
2589 C  CG   . ASP   A 159 ? 0.1957 0.1852 0.1583 -0.0073 -0.0001 -0.0046 159 ASP   A CG   
2590 O  OD1  . ASP   A 159 ? 0.2326 0.2167 0.1646 -0.0351 0.0040  0.0116  159 ASP   A OD1  
2591 O  OD2  . ASP   A 159 ? 0.2160 0.2069 0.1918 0.0047  0.0115  -0.0109 159 ASP   A OD2  
2592 H  H    . ASP   A 159 ? 0.1381 0.1309 0.1364 -0.0031 -0.0002 0.0075  159 ASP   A H    
2593 H  HA   . ASP   A 159 ? 0.1467 0.1415 0.1380 -0.0077 -0.0012 0.0045  159 ASP   A HA   
2594 H  HB2  . ASP   A 159 ? 0.1596 0.1505 0.1458 -0.0048 -0.0050 0.0064  159 ASP   A HB2  
2595 H  HB3  . ASP   A 159 ? 0.1553 0.1549 0.1449 -0.0061 -0.0048 0.0064  159 ASP   A HB3  
2596 N  N    . PHE   A 160 ? 0.1217 0.1206 0.1246 -0.0206 0.0036  0.0096  160 PHE   A N    
2597 C  CA   . PHE   A 160 ? 0.1331 0.1333 0.1291 -0.0130 0.0073  0.0076  160 PHE   A CA   
2598 C  C    . PHE   A 160 ? 0.1273 0.1315 0.1488 -0.0182 0.0023  0.0130  160 PHE   A C    
2599 O  O    . PHE   A 160 ? 0.1360 0.1295 0.1528 -0.0243 0.0136  0.0161  160 PHE   A O    
2600 C  CB   . PHE   A 160 ? 0.1322 0.1348 0.1341 -0.0024 0.0066  0.0127  160 PHE   A CB   
2601 C  CG   . PHE   A 160 ? 0.1349 0.1192 0.1292 -0.0110 0.0020  0.0048  160 PHE   A CG   
2602 C  CD1  . PHE   A 160 ? 0.1881 0.1260 0.1341 -0.0147 -0.0140 0.0017  160 PHE   A CD1  
2603 C  CD2  . PHE   A 160 ? 0.1408 0.1501 0.1358 -0.0355 0.0026  -0.0063 160 PHE   A CD2  
2604 C  CE1  . PHE   A 160 ? 0.1879 0.1450 0.1599 0.0071  0.0006  -0.0093 160 PHE   A CE1  
2605 C  CE2  . PHE   A 160 ? 0.1362 0.1761 0.1526 -0.0178 0.0185  0.0060  160 PHE   A CE2  
2606 C  CZ   . PHE   A 160 ? 0.1416 0.1738 0.1452 0.0198  0.0129  -0.0258 160 PHE   A CZ   
2607 H  H    . PHE   A 160 ? 0.1274 0.1272 0.1289 -0.0080 0.0010  0.0066  160 PHE   A H    
2608 H  HA   . PHE   A 160 ? 0.1299 0.1295 0.1353 -0.0077 0.0056  0.0081  160 PHE   A HA   
2609 H  HB2  . PHE   A 160 ? 0.1330 0.1345 0.1323 -0.0033 0.0034  0.0079  160 PHE   A HB2  
2610 H  HB3  . PHE   A 160 ? 0.1343 0.1308 0.1330 -0.0046 0.0035  0.0071  160 PHE   A HB3  
2611 H  HD1  . PHE   A 160 ? 0.1619 0.1427 0.1493 -0.0009 -0.0048 0.0011  160 PHE   A HD1  
2612 H  HD2  . PHE   A 160 ? 0.1387 0.1380 0.1383 -0.0154 0.0028  -0.0067 160 PHE   A HD2  
2613 H  HE1  . PHE   A 160 ? 0.1706 0.1523 0.1498 0.0000  0.0003  -0.0068 160 PHE   A HE1  
2614 H  HE2  . PHE   A 160 ? 0.1226 0.1485 0.1316 -0.0214 0.0204  0.0027  160 PHE   A HE2  
2615 H  HZ   . PHE   A 160 ? 0.1523 0.1581 0.1321 0.0096  0.0112  -0.0133 160 PHE   A HZ   
2616 N  N    . ASP   A 161 ? 0.1452 0.1239 0.1456 -0.0045 0.0174  0.0141  161 ASP   A N    
2617 C  CA   A ASP   A 161 ? 0.1508 0.1338 0.1660 0.0010  0.0297  0.0146  161 ASP   A CA   
2618 C  CA   B ASP   A 161 ? 0.1512 0.1320 0.1668 -0.0029 0.0271  0.0076  161 ASP   A CA   
2619 C  C    . ASP   A 161 ? 0.1301 0.1512 0.1600 -0.0127 0.0234  0.0045  161 ASP   A C    
2620 O  O    . ASP   A 161 ? 0.1662 0.1212 0.1851 -0.0265 0.0437  0.0081  161 ASP   A O    
2621 C  CB   A ASP   A 161 ? 0.1644 0.1576 0.1799 -0.0036 0.0241  0.0363  161 ASP   A CB   
2622 C  CB   B ASP   A 161 ? 0.1738 0.1662 0.1842 -0.0077 0.0157  0.0289  161 ASP   A CB   
2623 C  CG   A ASP   A 161 ? 0.1939 0.1653 0.2007 0.0013  0.0317  0.0182  161 ASP   A CG   
2624 C  CG   B ASP   A 161 ? 0.1678 0.1658 0.1858 -0.0101 0.0319  0.0221  161 ASP   A CG   
2625 O  OD1  A ASP   A 161 ? 0.1751 0.1768 0.2280 0.0252  0.0042  0.0270  161 ASP   A OD1  
2626 O  OD1  B ASP   A 161 ? 0.1718 0.1427 0.1853 0.0035  0.0113  0.0262  161 ASP   A OD1  
2627 O  OD2  A ASP   A 161 ? 0.2005 0.1616 0.2060 -0.0099 -0.0113 0.0213  161 ASP   A OD2  
2628 O  OD2  B ASP   A 161 ? 0.3114 0.2320 0.2022 0.0206  0.0016  0.0373  161 ASP   A OD2  
2629 H  H    . ASP   A 161 ? 0.1365 0.1308 0.1549 -0.0102 0.0140  0.0094  161 ASP   A H    
2630 H  HA   A ASP   A 161 ? 0.1516 0.1455 0.1608 -0.0030 0.0187  0.0126  161 ASP   A HA   
2631 H  HA   B ASP   A 161 ? 0.1463 0.1436 0.1619 -0.0071 0.0168  0.0088  161 ASP   A HA   
2632 H  HB2  A ASP   A 161 ? 0.1653 0.1571 0.1656 -0.0007 0.0096  0.0215  161 ASP   A HB2  
2633 H  HB2  B ASP   A 161 ? 0.1708 0.1621 0.1801 -0.0072 0.0087  0.0203  161 ASP   A HB2  
2634 H  HB3  A ASP   A 161 ? 0.1640 0.1578 0.1756 -0.0016 0.0186  0.0198  161 ASP   A HB3  
2635 H  HB3  B ASP   A 161 ? 0.1643 0.1600 0.1786 -0.0054 0.0128  0.0132  161 ASP   A HB3  
2636 N  N    . HIS   A 162 ? 0.1713 0.1407 0.1609 -0.0161 0.0142  0.0159  162 HIS   A N    
2637 C  CA   . HIS   A 162 ? 0.1846 0.1397 0.1671 0.0009  0.0152  0.0098  162 HIS   A CA   
2638 C  C    . HIS   A 162 ? 0.1915 0.1436 0.1735 0.0003  0.0261  0.0040  162 HIS   A C    
2639 O  O    . HIS   A 162 ? 0.1872 0.1317 0.1835 -0.0102 0.0415  -0.0171 162 HIS   A O    
2640 C  CB   . HIS   A 162 ? 0.1703 0.1673 0.1885 -0.0225 0.0189  0.0075  162 HIS   A CB   
2641 C  CG   . HIS   A 162 ? 0.2127 0.1683 0.2066 -0.0127 0.0145  -0.0170 162 HIS   A CG   
2642 N  ND1  . HIS   A 162 ? 0.1904 0.1758 0.1948 -0.0240 0.0093  -0.0214 162 HIS   A ND1  
2643 C  CD2  . HIS   A 162 ? 0.2301 0.1480 0.2151 -0.0042 0.0093  0.0048  162 HIS   A CD2  
2644 C  CE1  . HIS   A 162 ? 0.2038 0.1855 0.1942 -0.0123 0.0353  -0.0050 162 HIS   A CE1  
2645 N  NE2  . HIS   A 162 ? 0.2613 0.1975 0.2234 0.0149  0.0300  -0.0005 162 HIS   A NE2  
2646 H  H    . HIS   A 162 ? 0.1515 0.1471 0.1643 -0.0093 0.0128  0.0082  162 HIS   A H    
2647 H  HA   . HIS   A 162 ? 0.1780 0.1530 0.1594 0.0000  0.0129  0.0119  162 HIS   A HA   
2648 H  HB2  . HIS   A 162 ? 0.1779 0.1661 0.1825 -0.0082 0.0119  0.0024  162 HIS   A HB2  
2649 H  HB3  . HIS   A 162 ? 0.1792 0.1712 0.1791 -0.0099 0.0117  0.0027  162 HIS   A HB3  
2650 H  HD1  . HIS   A 162 ? 0.1931 0.1846 0.1936 -0.0076 0.0126  -0.0139 162 HIS   A HD1  
2651 H  HD2  . HIS   A 162 ? 0.2251 0.1737 0.1898 0.0031  0.0104  0.0116  162 HIS   A HD2  
2652 H  HE1  . HIS   A 162 ? 0.2115 0.1880 0.1927 -0.0074 0.0247  -0.0038 162 HIS   A HE1  
2653 H  HE2  . HIS   A 162 ? 0.2303 0.1965 0.2048 0.0059  0.0210  0.0032  162 HIS   A HE2  
2654 N  N    . ASN   A 163 ? 0.1698 0.1468 0.1854 -0.0180 0.0271  0.0098  163 ASN   A N    
2655 C  CA   . ASN   A 163 ? 0.1864 0.1878 0.2259 0.0003  0.0160  0.0136  163 ASN   A CA   
2656 C  C    . ASN   A 163 ? 0.1730 0.1713 0.2088 0.0105  0.0265  -0.0021 163 ASN   A C    
2657 O  O    . ASN   A 163 ? 0.1821 0.1728 0.2253 -0.0112 0.0332  -0.0060 163 ASN   A O    
2658 C  CB   . ASN   A 163 ? 0.2354 0.1788 0.2681 -0.0146 0.0147  0.0412  163 ASN   A CB   
2659 C  CG   . ASN   A 163 ? 0.2506 0.2623 0.3022 -0.0105 0.0330  0.0211  163 ASN   A CG   
2660 O  OD1  . ASN   A 163 ? 0.3391 0.3403 0.3315 0.0072  0.0002  -0.0195 163 ASN   A OD1  
2661 N  ND2  . ASN   A 163 ? 0.3238 0.3364 0.3437 0.0188  -0.0016 0.0381  163 ASN   A ND2  
2662 H  H    . ASN   A 163 ? 0.1704 0.1595 0.1656 -0.0107 0.0134  0.0053  163 ASN   A H    
2663 H  HA   . ASN   A 163 ? 0.1972 0.1868 0.2155 -0.0060 0.0124  0.0160  163 ASN   A HA   
2664 H  HB2  . ASN   A 163 ? 0.2131 0.2033 0.2471 -0.0097 0.0141  0.0221  163 ASN   A HB2  
2665 H  HB3  . ASN   A 163 ? 0.2260 0.2245 0.2597 -0.0004 0.0137  0.0258  163 ASN   A HB3  
2666 H  HD21 . ASN   A 163 ? 0.2993 0.3152 0.3200 -0.0061 -0.0013 0.0269  163 ASN   A HD21 
2667 H  HD22 . ASN   A 163 ? 0.2915 0.3096 0.3279 -0.0064 -0.0047 0.0391  163 ASN   A HD22 
2668 N  N    . LEU   A 164 ? 0.1662 0.1275 0.1821 0.0058  0.0112  0.0235  164 LEU   A N    
2669 C  CA   . LEU   A 164 ? 0.1645 0.1336 0.1727 0.0113  -0.0069 0.0102  164 LEU   A CA   
2670 C  C    . LEU   A 164 ? 0.1462 0.1360 0.1493 -0.0019 0.0070  0.0101  164 LEU   A C    
2671 O  O    . LEU   A 164 ? 0.1477 0.1355 0.1656 -0.0001 -0.0009 0.0063  164 LEU   A O    
2672 C  CB   . LEU   A 164 ? 0.1803 0.1754 0.1674 -0.0070 -0.0030 0.0110  164 LEU   A CB   
2673 C  CG   . LEU   A 164 ? 0.2260 0.1789 0.1942 -0.0172 0.0090  0.0333  164 LEU   A CG   
2674 C  CD1  . LEU   A 164 ? 0.2378 0.2049 0.2244 -0.0049 0.0140  0.0110  164 LEU   A CD1  
2675 C  CD2  . LEU   A 164 ? 0.2377 0.2100 0.2427 -0.0126 -0.0091 0.0248  164 LEU   A CD2  
2676 H  H    . LEU   A 164 ? 0.1640 0.1462 0.1788 0.0052  0.0066  0.0110  164 LEU   A H    
2677 H  HA   . LEU   A 164 ? 0.1612 0.1515 0.1746 0.0040  0.0002  0.0097  164 LEU   A HA   
2678 H  HB2  . LEU   A 164 ? 0.1814 0.1691 0.1742 -0.0033 -0.0011 0.0109  164 LEU   A HB2  
2679 H  HB3  . LEU   A 164 ? 0.1780 0.1737 0.1731 -0.0026 -0.0034 0.0078  164 LEU   A HB3  
2680 H  HG   . LEU   A 164 ? 0.2027 0.1873 0.2010 -0.0079 0.0010  0.0150  164 LEU   A HG   
2681 H  HD11 . LEU   A 164 ? 0.2284 0.2049 0.2126 -0.0157 0.0131  0.0108  164 LEU   A HD11 
2682 H  HD12 . LEU   A 164 ? 0.2256 0.2064 0.2118 -0.0071 0.0126  0.0045  164 LEU   A HD12 
2683 H  HD13 . LEU   A 164 ? 0.2214 0.2082 0.2124 -0.0019 0.0100  0.0100  164 LEU   A HD13 
2684 H  HD21 . LEU   A 164 ? 0.2179 0.2079 0.2219 -0.0043 -0.0025 0.0172  164 LEU   A HD21 
2685 H  HD22 . LEU   A 164 ? 0.2235 0.2084 0.2153 -0.0114 0.0010  0.0045  164 LEU   A HD22 
2686 H  HD23 . LEU   A 164 ? 0.2191 0.2169 0.2332 -0.0151 -0.0045 0.0211  164 LEU   A HD23 
2687 N  N    . GLN   A 165 ? 0.1378 0.1085 0.1459 -0.0174 0.0095  0.0280  165 GLN   A N    
2688 C  CA   . GLN   A 165 ? 0.1291 0.1154 0.1329 -0.0069 0.0031  0.0151  165 GLN   A CA   
2689 C  C    . GLN   A 165 ? 0.1273 0.1181 0.1368 -0.0058 0.0041  -0.0027 165 GLN   A C    
2690 O  O    . GLN   A 165 ? 0.1550 0.1187 0.1519 -0.0251 0.0147  -0.0028 165 GLN   A O    
2691 C  CB   . GLN   A 165 ? 0.1167 0.1055 0.1414 -0.0224 0.0106  0.0122  165 GLN   A CB   
2692 C  CG   . GLN   A 165 ? 0.1226 0.1191 0.1358 -0.0076 0.0048  0.0068  165 GLN   A CG   
2693 C  CD   . GLN   A 165 ? 0.1271 0.1169 0.1342 -0.0133 0.0067  0.0020  165 GLN   A CD   
2694 O  OE1  . GLN   A 165 ? 0.1432 0.1328 0.1584 -0.0348 0.0225  -0.0140 165 GLN   A OE1  
2695 N  NE2  . GLN   A 165 ? 0.1286 0.1292 0.1224 -0.0290 0.0105  0.0012  165 GLN   A NE2  
2696 H  H    . GLN   A 165 ? 0.1255 0.1195 0.1434 -0.0112 0.0000  0.0083  165 GLN   A H    
2697 H  HA   . GLN   A 165 ? 0.1252 0.1195 0.1369 -0.0057 0.0042  0.0106  165 GLN   A HA   
2698 H  HB2  . GLN   A 165 ? 0.1013 0.0975 0.1618 -0.0208 0.0145  0.0155  165 GLN   A HB2  
2699 H  HB3  . GLN   A 165 ? 0.1221 0.1209 0.1338 -0.0054 0.0084  0.0073  165 GLN   A HB3  
2700 H  HG2  . GLN   A 165 ? 0.1232 0.1215 0.1325 -0.0085 0.0056  0.0064  165 GLN   A HG2  
2701 H  HG3  . GLN   A 165 ? 0.1275 0.1224 0.1351 -0.0029 0.0046  0.0067  165 GLN   A HG3  
2702 H  HE21 . GLN   A 165 ? 0.1227 0.1240 0.1227 -0.0161 0.0049  0.0013  165 GLN   A HE21 
2703 H  HE22 . GLN   A 165 ? 0.1136 0.1140 0.1260 -0.0119 0.0077  0.0016  165 GLN   A HE22 
2704 N  N    . LEU   A 166 ? 0.1153 0.1262 0.1246 -0.0210 0.0049  0.0046  166 LEU   A N    
2705 C  CA   . LEU   A 166 ? 0.1159 0.1135 0.1293 -0.0090 0.0029  -0.0076 166 LEU   A CA   
2706 C  C    . LEU   A 166 ? 0.1141 0.1045 0.1124 -0.0077 -0.0037 -0.0089 166 LEU   A C    
2707 O  O    . LEU   A 166 ? 0.1188 0.1090 0.1327 -0.0207 0.0094  -0.0193 166 LEU   A O    
2708 C  CB   . LEU   A 166 ? 0.1438 0.1419 0.1459 -0.0334 0.0091  0.0023  166 LEU   A CB   
2709 C  CG   . LEU   A 166 ? 0.1728 0.2121 0.1782 0.0019  0.0114  0.0214  166 LEU   A CG   
2710 C  CD1  . LEU   A 166 ? 0.1811 0.2097 0.1947 -0.0291 0.0276  -0.0061 166 LEU   A CD1  
2711 C  CD2  . LEU   A 166 ? 0.2256 0.2207 0.2811 0.0028  0.0706  0.0103  166 LEU   A CD2  
2712 H  H    . LEU   A 166 ? 0.1173 0.1184 0.1294 -0.0094 0.0021  -0.0024 166 LEU   A H    
2713 H  HA   . LEU   A 166 ? 0.1259 0.1183 0.1322 -0.0139 0.0026  -0.0084 166 LEU   A HA   
2714 H  HB2  . LEU   A 166 ? 0.1427 0.1402 0.1458 -0.0151 0.0045  -0.0028 166 LEU   A HB2  
2715 H  HB3  . LEU   A 166 ? 0.1461 0.1457 0.1493 -0.0151 0.0043  0.0016  166 LEU   A HB3  
2716 H  HG   . LEU   A 166 ? 0.1737 0.1863 0.1777 -0.0102 0.0080  0.0106  166 LEU   A HG   
2717 H  HD11 . LEU   A 166 ? 0.1820 0.1928 0.1899 -0.0094 0.0141  0.0051  166 LEU   A HD11 
2718 H  HD12 . LEU   A 166 ? 0.1907 0.2019 0.1901 -0.0107 0.0100  0.0052  166 LEU   A HD12 
2719 H  HD13 . LEU   A 166 ? 0.1936 0.2012 0.2005 -0.0147 0.0173  0.0024  166 LEU   A HD13 
2720 H  HD21 . LEU   A 166 ? 0.2333 0.2089 0.2670 -0.0036 0.0556  0.0013  166 LEU   A HD21 
2721 H  HD22 . LEU   A 166 ? 0.2106 0.2098 0.2256 -0.0038 0.0282  0.0064  166 LEU   A HD22 
2722 H  HD23 . LEU   A 166 ? 0.1997 0.1988 0.2077 0.0010  0.0182  -0.0075 166 LEU   A HD23 
2723 N  N    . CYS   A 167 ? 0.1105 0.1038 0.1170 -0.0109 -0.0022 -0.0009 167 CYS   A N    
2724 C  CA   . CYS   A 167 ? 0.1059 0.1098 0.1156 -0.0129 0.0018  -0.0045 167 CYS   A CA   
2725 C  C    . CYS   A 167 ? 0.1182 0.1114 0.1127 -0.0181 0.0060  -0.0095 167 CYS   A C    
2726 O  O    . CYS   A 167 ? 0.1368 0.1200 0.1058 -0.0299 0.0096  -0.0149 167 CYS   A O    
2727 C  CB   . CYS   A 167 ? 0.1321 0.1141 0.1044 -0.0236 0.0024  -0.0069 167 CYS   A CB   
2728 S  SG   . CYS   A 167 ? 0.1279 0.1206 0.1147 -0.0250 0.0084  -0.0127 167 CYS   A SG   
2729 H  H    . CYS   A 167 ? 0.1128 0.1097 0.1128 -0.0087 -0.0007 -0.0024 167 CYS   A H    
2730 H  HA   . CYS   A 167 ? 0.1134 0.1103 0.1119 -0.0119 0.0015  -0.0022 167 CYS   A HA   
2731 H  HB2  . CYS   A 167 ? 0.1235 0.1134 0.1136 -0.0161 0.0018  -0.0009 167 CYS   A HB2  
2732 H  HB3  . CYS   A 167 ? 0.1233 0.1093 0.1084 -0.0159 0.0032  -0.0052 167 CYS   A HB3  
2733 H  HG   . CYS   A 167 ? 0.1290 0.1208 0.1227 -0.0194 0.0036  -0.0078 167 CYS   A HG   
2734 N  N    . VAL   A 168 ? 0.1054 0.1119 0.0961 -0.0180 -0.0038 -0.0067 168 VAL   A N    
2735 C  CA   . VAL   A 168 ? 0.1057 0.1074 0.1060 -0.0190 -0.0022 -0.0026 168 VAL   A CA   
2736 C  C    . VAL   A 168 ? 0.1037 0.1144 0.1047 -0.0134 -0.0027 -0.0080 168 VAL   A C    
2737 O  O    . VAL   A 168 ? 0.1108 0.1253 0.1140 -0.0041 -0.0040 -0.0126 168 VAL   A O    
2738 C  CB   . VAL   A 168 ? 0.1103 0.1248 0.1385 -0.0234 0.0008  -0.0071 168 VAL   A CB   
2739 C  CG1  . VAL   A 168 ? 0.1503 0.1387 0.1461 -0.0070 -0.0054 0.0083  168 VAL   A CG1  
2740 C  CG2  . VAL   A 168 ? 0.1196 0.1307 0.1390 -0.0202 0.0073  -0.0025 168 VAL   A CG2  
2741 H  H    . VAL   A 168 ? 0.1075 0.1076 0.1045 -0.0094 -0.0013 -0.0045 168 VAL   A H    
2742 H  HA   . VAL   A 168 ? 0.1082 0.1098 0.1088 -0.0147 -0.0012 -0.0035 168 VAL   A HA   
2743 H  HB   . VAL   A 168 ? 0.1189 0.1236 0.1268 -0.0155 -0.0004 -0.0002 168 VAL   A HB   
2744 H  HG11 . VAL   A 168 ? 0.1393 0.1391 0.1400 -0.0057 0.0008  -0.0003 168 VAL   A HG11 
2745 H  HG12 . VAL   A 168 ? 0.1406 0.1376 0.1408 0.0019  0.0003  0.0032  168 VAL   A HG12 
2746 H  HG13 . VAL   A 168 ? 0.1362 0.1416 0.1441 -0.0063 -0.0016 0.0061  168 VAL   A HG13 
2747 H  HG21 . VAL   A 168 ? 0.1193 0.1286 0.1333 -0.0146 0.0038  0.0004  168 VAL   A HG21 
2748 H  HG22 . VAL   A 168 ? 0.1163 0.1211 0.1360 -0.0121 0.0041  -0.0020 168 VAL   A HG22 
2749 H  HG23 . VAL   A 168 ? 0.1192 0.1267 0.1326 -0.0134 0.0019  -0.0060 168 VAL   A HG23 
2750 N  N    . GLY   A 169 ? 0.1111 0.1189 0.0970 -0.0196 0.0013  -0.0095 169 GLY   A N    
2751 C  CA   . GLY   A 169 ? 0.1127 0.1300 0.1231 -0.0168 -0.0010 -0.0054 169 GLY   A CA   
2752 C  C    . GLY   A 169 ? 0.1211 0.1178 0.1112 -0.0215 -0.0007 -0.0017 169 GLY   A C    
2753 O  O    . GLY   A 169 ? 0.1207 0.1432 0.1132 -0.0337 -0.0061 -0.0006 169 GLY   A O    
2754 H  H    . GLY   A 169 ? 0.1099 0.1100 0.1062 -0.0099 -0.0001 -0.0041 169 GLY   A H    
2755 H  HA2  . GLY   A 169 ? 0.1172 0.1267 0.1233 -0.0133 -0.0001 -0.0034 169 GLY   A HA2  
2756 H  HA3  . GLY   A 169 ? 0.1148 0.1241 0.1192 -0.0130 -0.0004 0.0000  169 GLY   A HA3  
2757 N  N    . ASN   A 170 ? 0.1172 0.1485 0.1162 -0.0261 -0.0061 0.0020  170 ASN   A N    
2758 C  CA   . ASN   A 170 ? 0.1244 0.1289 0.1308 -0.0235 -0.0146 -0.0048 170 ASN   A CA   
2759 C  C    . ASN   A 170 ? 0.1239 0.1292 0.1083 -0.0260 -0.0262 -0.0186 170 ASN   A C    
2760 O  O    . ASN   A 170 ? 0.1276 0.1401 0.1348 -0.0263 -0.0152 -0.0070 170 ASN   A O    
2761 C  CB   . ASN   A 170 ? 0.1537 0.1491 0.1361 -0.0273 -0.0075 -0.0070 170 ASN   A CB   
2762 C  CG   . ASN   A 170 ? 0.1509 0.1885 0.1487 -0.0240 -0.0082 -0.0248 170 ASN   A CG   
2763 O  OD1  . ASN   A 170 ? 0.1478 0.1943 0.1503 -0.0449 -0.0190 -0.0257 170 ASN   A OD1  
2764 N  ND2  . ASN   A 170 ? 0.1854 0.1955 0.1443 -0.0248 -0.0008 -0.0270 170 ASN   A ND2  
2765 H  H    . ASN   A 170 ? 0.1210 0.1344 0.1227 -0.0172 0.0002  0.0026  170 ASN   A H    
2766 H  HA   . ASN   A 170 ? 0.1317 0.1318 0.1296 -0.0196 -0.0117 -0.0007 170 ASN   A HA   
2767 H  HB2  . ASN   A 170 ? 0.1544 0.1562 0.1448 -0.0138 -0.0110 -0.0033 170 ASN   A HB2  
2768 H  HB3  . ASN   A 170 ? 0.1457 0.1485 0.1415 -0.0178 -0.0072 -0.0040 170 ASN   A HB3  
2769 H  HD21 . ASN   A 170 ? 0.1636 0.1819 0.1504 -0.0083 0.0032  -0.0179 170 ASN   A HD21 
2770 H  HD22 . ASN   A 170 ? 0.1705 0.1836 0.1595 -0.0087 -0.0004 -0.0180 170 ASN   A HD22 
2771 N  N    . PRO   A 171 ? 0.1335 0.1510 0.1192 -0.0222 -0.0180 -0.0095 171 PRO   A N    
2772 C  CA   . PRO   A 171 ? 0.1398 0.1437 0.1366 -0.0229 -0.0036 -0.0029 171 PRO   A CA   
2773 C  C    . PRO   A 171 ? 0.1397 0.1615 0.1517 -0.0166 -0.0009 -0.0012 171 PRO   A C    
2774 O  O    . PRO   A 171 ? 0.1594 0.1858 0.1843 -0.0131 0.0003  -0.0152 171 PRO   A O    
2775 C  CB   . PRO   A 171 ? 0.1571 0.1942 0.1361 -0.0426 0.0056  -0.0001 171 PRO   A CB   
2776 C  CG   . PRO   A 171 ? 0.1546 0.1777 0.1694 -0.0247 -0.0085 0.0176  171 PRO   A CG   
2777 C  CD   . PRO   A 171 ? 0.1600 0.1595 0.1404 -0.0321 -0.0143 -0.0029 171 PRO   A CD   
2778 H  HA   . PRO   A 171 ? 0.1415 0.1412 0.1357 -0.0165 -0.0054 -0.0063 171 PRO   A HA   
2779 H  HB2  . PRO   A 171 ? 0.1639 0.1732 0.1481 -0.0232 0.0000  0.0029  171 PRO   A HB2  
2780 H  HB3  . PRO   A 171 ? 0.1489 0.1725 0.1497 -0.0254 -0.0062 0.0010  171 PRO   A HB3  
2781 H  HG2  . PRO   A 171 ? 0.1582 0.1728 0.1586 -0.0194 -0.0025 0.0069  171 PRO   A HG2  
2782 H  HG3  . PRO   A 171 ? 0.1572 0.1640 0.1566 -0.0229 -0.0046 0.0031  171 PRO   A HG3  
2783 H  HD2  . PRO   A 171 ? 0.1489 0.1529 0.1468 -0.0196 -0.0104 -0.0018 171 PRO   A HD2  
2784 H  HD3  . PRO   A 171 ? 0.1484 0.1571 0.1450 -0.0161 -0.0052 -0.0019 171 PRO   A HD3  
2785 N  N    . ARG   A 172 ? 0.1346 0.1752 0.1475 -0.0296 -0.0081 -0.0055 172 ARG   A N    
2786 C  CA   . ARG   A 172 ? 0.1530 0.1965 0.1596 -0.0002 -0.0129 -0.0041 172 ARG   A CA   
2787 C  C    . ARG   A 172 ? 0.1750 0.2023 0.1966 -0.0179 -0.0590 0.0119  172 ARG   A C    
2788 O  O    . ARG   A 172 ? 0.2051 0.2176 0.2231 -0.0201 -0.0511 0.0599  172 ARG   A O    
2789 C  CB   . ARG   A 172 ? 0.1648 0.1992 0.1731 -0.0127 -0.0237 -0.0130 172 ARG   A CB   
2790 C  CG   . ARG   A 172 ? 0.1918 0.1995 0.1871 -0.0056 -0.0065 -0.0031 172 ARG   A CG   
2791 C  CD   . ARG   A 172 ? 0.1871 0.2268 0.2059 -0.0072 0.0156  -0.0027 172 ARG   A CD   
2792 N  NE   . ARG   A 172 ? 0.1778 0.2115 0.2060 -0.0261 -0.0036 0.0220  172 ARG   A NE   
2793 C  CZ   . ARG   A 172 ? 0.1833 0.1997 0.2094 -0.0249 -0.0005 0.0000  172 ARG   A CZ   
2794 N  NH1  . ARG   A 172 ? 0.2101 0.2131 0.2058 0.0042  -0.0003 -0.0042 172 ARG   A NH1  
2795 N  NH2  . ARG   A 172 ? 0.1601 0.1611 0.2048 0.0024  -0.0061 0.0084  172 ARG   A NH2  
2796 H  H    . ARG   A 172 ? 0.1558 0.1748 0.1530 -0.0131 -0.0108 0.0003  172 ARG   A H    
2797 H  HA   . ARG   A 172 ? 0.1644 0.1894 0.1659 -0.0028 -0.0003 -0.0054 172 ARG   A HA   
2798 H  HB2  . ARG   A 172 ? 0.1777 0.1921 0.1722 -0.0044 -0.0093 -0.0083 172 ARG   A HB2  
2799 H  HB3  . ARG   A 172 ? 0.1753 0.1931 0.1760 -0.0017 -0.0114 -0.0051 172 ARG   A HB3  
2800 H  HG2  . ARG   A 172 ? 0.1814 0.1978 0.1864 -0.0056 -0.0043 -0.0035 172 ARG   A HG2  
2801 H  HG3  . ARG   A 172 ? 0.1870 0.1953 0.1904 -0.0050 -0.0054 -0.0008 172 ARG   A HG3  
2802 H  HD2  . ARG   A 172 ? 0.1965 0.2075 0.2059 -0.0072 0.0020  0.0055  172 ARG   A HD2  
2803 H  HD3  . ARG   A 172 ? 0.1951 0.2056 0.2035 0.0003  0.0016  -0.0021 172 ARG   A HD3  
2804 H  HE   . ARG   A 172 ? 0.1909 0.2053 0.1982 -0.0138 0.0013  0.0088  172 ARG   A HE   
2805 H  HH11 . ARG   A 172 ? 0.2003 0.2056 0.2047 -0.0036 0.0009  -0.0005 172 ARG   A HH11 
2806 H  HH12 . ARG   A 172 ? 0.2028 0.2058 0.2066 -0.0048 0.0025  -0.0012 172 ARG   A HH12 
2807 H  HH21 . ARG   A 172 ? 0.1778 0.1748 0.1905 -0.0025 0.0013  0.0040  172 ARG   A HH21 
2808 H  HH22 . ARG   A 172 ? 0.1704 0.1732 0.1880 0.0025  -0.0085 0.0058  172 ARG   A HH22 
2809 N  N    . LYS   A 173 ? 0.1699 0.2043 0.1627 -0.0229 -0.0497 0.0068  173 LYS   A N    
2810 C  CA   . LYS   A 173 ? 0.2165 0.1956 0.1836 -0.0027 -0.0535 0.0259  173 LYS   A CA   
2811 C  C    . LYS   A 173 ? 0.2051 0.1984 0.2026 -0.0347 -0.0240 0.0084  173 LYS   A C    
2812 O  O    . LYS   A 173 ? 0.2318 0.2244 0.2118 -0.0265 -0.0476 0.0145  173 LYS   A O    
2813 C  CB   . LYS   A 173 ? 0.2328 0.2480 0.2042 -0.0413 -0.0183 0.0330  173 LYS   A CB   
2814 C  CG   . LYS   A 173 ? 0.2638 0.2673 0.2644 -0.0198 -0.0004 0.0159  173 LYS   A CG   
2815 C  CD   . LYS   A 173 ? 0.2942 0.2728 0.3005 -0.0309 -0.0368 0.0009  173 LYS   A CD   
2816 C  CE   . LYS   A 173 ? 0.2752 0.3007 0.2390 0.0526  0.0020  0.0224  173 LYS   A CE   
2817 N  NZ   . LYS   A 173 ? 0.2526 0.2657 0.2260 -0.0021 -0.0091 -0.0049 173 LYS   A NZ   
2818 H  H    . LYS   A 173 ? 0.1644 0.1909 0.1635 0.0115  -0.0331 0.0036  173 LYS   A H    
2819 H  HA   . LYS   A 173 ? 0.1628 0.2103 0.1511 0.0260  -0.0413 0.0214  173 LYS   A HA   
2820 H  HB2  . LYS   A 173 ? 0.2173 0.2272 0.2098 -0.0163 -0.0079 0.0175  173 LYS   A HB2  
2821 H  HB3  . LYS   A 173 ? 0.2354 0.2145 0.2137 -0.0199 -0.0157 0.0209  173 LYS   A HB3  
2822 H  HG2  . LYS   A 173 ? 0.2521 0.2498 0.2500 -0.0110 -0.0137 0.0073  173 LYS   A HG2  
2823 H  HG3  . LYS   A 173 ? 0.2561 0.2585 0.2557 -0.0215 -0.0109 0.0130  173 LYS   A HG3  
2824 H  HD2  . LYS   A 173 ? 0.2894 0.2710 0.2914 -0.0033 -0.0150 0.0073  173 LYS   A HD2  
2825 H  HD3  . LYS   A 173 ? 0.2928 0.2694 0.2753 -0.0133 -0.0313 0.0101  173 LYS   A HD3  
2826 H  HE2  . LYS   A 173 ? 0.2766 0.2779 0.2675 0.0191  -0.0108 -0.0029 173 LYS   A HE2  
2827 H  HE3  . LYS   A 173 ? 0.2624 0.2796 0.2580 0.0166  -0.0037 0.0058  173 LYS   A HE3  
2828 H  HZ1  . LYS   A 173 ? 0.2570 0.2571 0.2422 0.0079  -0.0049 -0.0010 173 LYS   A HZ1  
2829 H  HZ2  . LYS   A 173 ? 0.2560 0.2525 0.2421 0.0087  -0.0040 -0.0020 173 LYS   A HZ2  
2830 H  HZ3  . LYS   A 173 ? 0.2547 0.2632 0.2392 0.0075  -0.0048 0.0009  173 LYS   A HZ3  
2831 N  N    . THR   A 174 ? 0.2099 0.2096 0.2473 -0.0284 -0.0439 0.0252  174 THR   A N    
2832 C  CA   . THR   A 174 ? 0.2026 0.2169 0.2437 -0.0571 -0.0055 0.0154  174 THR   A CA   
2833 C  C    . THR   A 174 ? 0.2009 0.1819 0.2247 -0.0187 -0.0109 0.0076  174 THR   A C    
2834 O  O    . THR   A 174 ? 0.2230 0.2108 0.2054 -0.0316 0.0036  0.0119  174 THR   A O    
2835 C  CB   . THR   A 174 ? 0.2903 0.2749 0.3135 0.0239  -0.0079 0.0204  174 THR   A CB   
2836 O  OG1  . THR   A 174 ? 0.3549 0.3185 0.2853 0.0294  -0.0308 0.0455  174 THR   A OG1  
2837 C  CG2  . THR   A 174 ? 0.3163 0.3146 0.3620 0.0511  -0.0516 0.0346  174 THR   A CG2  
2838 H  H    . THR   A 174 ? 0.2157 0.2186 0.2259 -0.0254 -0.0232 0.0067  174 THR   A H    
2839 H  HA   . THR   A 174 ? 0.2197 0.2205 0.2286 -0.0241 -0.0080 0.0160  174 THR   A HA   
2840 H  HB   . THR   A 174 ? 0.2775 0.2889 0.2938 0.0131  -0.0134 0.0242  174 THR   A HB   
2841 H  HG1  . THR   A 174 ? 0.2872 0.2872 0.2872 0.0000  0.0000  0.0000  174 THR   A HG1  
2842 H  HG21 . THR   A 174 ? 0.3290 0.3328 0.3285 0.0419  -0.0329 0.0146  174 THR   A HG21 
2843 H  HG22 . THR   A 174 ? 0.3025 0.2874 0.3285 0.0166  -0.0260 0.0172  174 THR   A HG22 
2844 H  HG23 . THR   A 174 ? 0.2965 0.3146 0.3327 0.0324  -0.0218 0.0371  174 THR   A HG23 
2845 N  N    . LYS   A 175 ? 0.1617 0.1959 0.1869 -0.0435 -0.0272 0.0052  175 LYS   A N    
2846 C  CA   . LYS   A 175 ? 0.1541 0.1775 0.1771 -0.0476 -0.0116 0.0230  175 LYS   A CA   
2847 C  C    . LYS   A 175 ? 0.1793 0.1653 0.1590 -0.0427 -0.0132 0.0007  175 LYS   A C    
2848 O  O    . LYS   A 175 ? 0.1515 0.1688 0.1516 -0.0475 -0.0070 0.0017  175 LYS   A O    
2849 C  CB   . LYS   A 175 ? 0.1695 0.2180 0.1968 -0.0467 0.0083  0.0145  175 LYS   A CB   
2850 C  CG   . LYS   A 175 ? 0.2191 0.2263 0.2074 -0.0350 -0.0127 0.0180  175 LYS   A CG   
2851 C  CD   . LYS   A 175 ? 0.2284 0.2640 0.2299 -0.0327 0.0120  -0.0085 175 LYS   A CD   
2852 C  CE   . LYS   A 175 ? 0.3074 0.3160 0.2742 0.0131  -0.0256 -0.0035 175 LYS   A CE   
2853 N  NZ   . LYS   A 175 ? 0.3401 0.3579 0.3354 0.0046  0.0040  -0.0226 175 LYS   A NZ   
2854 H  H    . LYS   A 175 ? 0.1782 0.1860 0.1799 -0.0294 -0.0205 0.0025  175 LYS   A H    
2855 H  HA   . LYS   A 175 ? 0.1606 0.1668 0.1758 -0.0296 -0.0088 0.0154  175 LYS   A HA   
2856 H  HB2  . LYS   A 175 ? 0.1796 0.1939 0.1947 -0.0200 -0.0025 0.0144  175 LYS   A HB2  
2857 H  HB3  . LYS   A 175 ? 0.1806 0.1982 0.1903 -0.0265 -0.0084 0.0138  175 LYS   A HB3  
2858 H  HG2  . LYS   A 175 ? 0.2110 0.2161 0.2131 -0.0187 -0.0019 0.0099  175 LYS   A HG2  
2859 H  HG3  . LYS   A 175 ? 0.2169 0.2244 0.2109 -0.0281 -0.0038 0.0093  175 LYS   A HG3  
2860 H  HD2  . LYS   A 175 ? 0.2466 0.2455 0.2397 -0.0114 -0.0060 -0.0028 175 LYS   A HD2  
2861 H  HD3  . LYS   A 175 ? 0.2376 0.2496 0.2308 -0.0178 -0.0071 -0.0012 175 LYS   A HD3  
2862 H  HE2  . LYS   A 175 ? 0.2938 0.3050 0.2756 0.0198  -0.0062 -0.0061 175 LYS   A HE2  
2863 H  HE3  . LYS   A 175 ? 0.2922 0.3019 0.2775 0.0063  0.0034  -0.0079 175 LYS   A HE3  
2864 H  HZ1  . LYS   A 175 ? 0.3290 0.3381 0.3151 0.0222  -0.0007 -0.0076 175 LYS   A HZ1  
2865 H  HZ2  . LYS   A 175 ? 0.3266 0.3438 0.3321 0.0011  0.0016  -0.0209 175 LYS   A HZ2  
2866 H  HZ3  . LYS   A 175 ? 0.3318 0.3349 0.3163 0.0095  0.0079  -0.0123 175 LYS   A HZ3  
2867 N  N    . SER   A 176 ? 0.1425 0.1614 0.1411 -0.0304 -0.0104 0.0088  176 SER   A N    
2868 C  CA   . SER   A 176 ? 0.1535 0.1486 0.1590 -0.0059 -0.0173 0.0161  176 SER   A CA   
2869 C  C    . SER   A 176 ? 0.1540 0.1542 0.1393 -0.0049 -0.0126 0.0067  176 SER   A C    
2870 O  O    . SER   A 176 ? 0.1507 0.1627 0.1459 -0.0182 -0.0296 -0.0010 176 SER   A O    
2871 C  CB   . SER   A 176 ? 0.1645 0.1624 0.1620 0.0006  -0.0147 0.0021  176 SER   A CB   
2872 O  OG   . SER   A 176 ? 0.2265 0.2267 0.1817 0.0197  0.0131  0.0382  176 SER   A OG   
2873 H  H    . SER   A 176 ? 0.1544 0.1513 0.1517 -0.0151 -0.0091 0.0115  176 SER   A H    
2874 H  HA   . SER   A 176 ? 0.1543 0.1571 0.1539 -0.0011 -0.0108 0.0057  176 SER   A HA   
2875 H  HB2  . SER   A 176 ? 0.1627 0.1692 0.1626 -0.0037 -0.0093 0.0078  176 SER   A HB2  
2876 H  HB3  . SER   A 176 ? 0.1729 0.1642 0.1644 0.0029  -0.0073 0.0021  176 SER   A HB3  
2877 H  HG   . SER   A 176 ? 0.1960 0.1960 0.1960 0.0000  0.0000  0.0000  176 SER   A HG   
2878 N  N    . ALA   A 177 ? 0.1680 0.1544 0.1563 0.0038  -0.0211 -0.0018 177 ALA   A N    
2879 C  CA   . ALA   A 177 ? 0.1505 0.1688 0.1440 0.0017  -0.0056 -0.0089 177 ALA   A CA   
2880 C  C    . ALA   A 177 ? 0.1407 0.1459 0.1373 -0.0088 -0.0033 -0.0042 177 ALA   A C    
2881 O  O    . ALA   A 177 ? 0.1478 0.1763 0.1391 -0.0156 0.0094  0.0111  177 ALA   A O    
2882 C  CB   . ALA   A 177 ? 0.1730 0.1819 0.1578 0.0218  -0.0159 -0.0149 177 ALA   A CB   
2883 H  H    . ALA   A 177 ? 0.1599 0.1558 0.1522 0.0035  -0.0128 0.0008  177 ALA   A H    
2884 H  HA   . ALA   A 177 ? 0.1579 0.1612 0.1541 0.0041  -0.0075 -0.0034 177 ALA   A HA   
2885 H  HB1  . ALA   A 177 ? 0.1632 0.1697 0.1598 0.0085  -0.0064 -0.0079 177 ALA   A HB1  
2886 H  HB2  . ALA   A 177 ? 0.1663 0.1721 0.1642 0.0066  -0.0008 -0.0014 177 ALA   A HB2  
2887 H  HB3  . ALA   A 177 ? 0.1691 0.1800 0.1717 0.0157  -0.0094 -0.0079 177 ALA   A HB3  
2888 N  N    . PHE   A 178 ? 0.1213 0.1412 0.1337 -0.0169 0.0040  -0.0023 178 PHE   A N    
2889 C  CA   . PHE   A 178 ? 0.1349 0.1361 0.1217 0.0044  -0.0014 0.0036  178 PHE   A CA   
2890 C  C    . PHE   A 178 ? 0.1225 0.1439 0.1362 0.0013  0.0045  -0.0009 178 PHE   A C    
2891 O  O    . PHE   A 178 ? 0.1158 0.1566 0.1363 -0.0035 0.0138  0.0017  178 PHE   A O    
2892 C  CB   . PHE   A 178 ? 0.1342 0.1401 0.1374 0.0003  -0.0014 0.0180  178 PHE   A CB   
2893 C  CG   . PHE   A 178 ? 0.1231 0.1457 0.1565 -0.0004 -0.0055 -0.0018 178 PHE   A CG   
2894 C  CD1  . PHE   A 178 ? 0.1414 0.1520 0.1654 -0.0058 0.0130  -0.0052 178 PHE   A CD1  
2895 C  CD2  . PHE   A 178 ? 0.1353 0.1455 0.1865 -0.0093 -0.0108 0.0031  178 PHE   A CD2  
2896 C  CE1  . PHE   A 178 ? 0.1315 0.1737 0.1797 -0.0014 0.0179  0.0030  178 PHE   A CE1  
2897 C  CE2  . PHE   A 178 ? 0.1814 0.1654 0.1949 0.0128  -0.0033 -0.0134 178 PHE   A CE2  
2898 C  CZ   . PHE   A 178 ? 0.1448 0.1836 0.2166 0.0048  0.0073  -0.0048 178 PHE   A CZ   
2899 H  H    . PHE   A 178 ? 0.1232 0.1330 0.1346 -0.0108 0.0074  0.0018  178 PHE   A H    
2900 H  HA   . PHE   A 178 ? 0.1329 0.1379 0.1337 -0.0014 0.0009  0.0019  178 PHE   A HA   
2901 H  HB2  . PHE   A 178 ? 0.1385 0.1438 0.1442 0.0029  -0.0019 0.0075  178 PHE   A HB2  
2902 H  HB3  . PHE   A 178 ? 0.1355 0.1359 0.1408 -0.0032 -0.0020 0.0083  178 PHE   A HB3  
2903 H  HD1  . PHE   A 178 ? 0.1393 0.1543 0.1605 -0.0017 0.0072  -0.0020 178 PHE   A HD1  
2904 H  HD2  . PHE   A 178 ? 0.1449 0.1535 0.1652 -0.0010 -0.0044 0.0017  178 PHE   A HD2  
2905 H  HE1  . PHE   A 178 ? 0.1434 0.1614 0.1688 -0.0023 0.0108  -0.0031 178 PHE   A HE1  
2906 H  HE2  . PHE   A 178 ? 0.1637 0.1634 0.1913 0.0062  -0.0017 -0.0064 178 PHE   A HE2  
2907 H  HZ   . PHE   A 178 ? 0.1640 0.1748 0.1809 0.0024  0.0012  -0.0017 178 PHE   A HZ   
2908 N  N    . LYS   A 179 ? 0.1208 0.1570 0.1376 -0.0021 0.0039  -0.0102 179 LYS   A N    
2909 C  CA   . LYS   A 179 ? 0.1307 0.1433 0.1314 -0.0019 0.0041  -0.0057 179 LYS   A CA   
2910 C  C    . LYS   A 179 ? 0.1269 0.1445 0.1259 0.0020  0.0026  0.0001  179 LYS   A C    
2911 O  O    . LYS   A 179 ? 0.1285 0.1400 0.1412 0.0225  0.0053  0.0044  179 LYS   A O    
2912 C  CB   . LYS   A 179 ? 0.1539 0.1582 0.1591 0.0172  0.0080  -0.0066 179 LYS   A CB   
2913 C  CG   . LYS   A 179 ? 0.1653 0.1762 0.1840 -0.0077 0.0034  -0.0004 179 LYS   A CG   
2914 C  CD   . LYS   A 179 ? 0.1824 0.1935 0.1897 -0.0032 0.0083  -0.0150 179 LYS   A CD   
2915 C  CE   . LYS   A 179 ? 0.2062 0.2114 0.2243 -0.0107 0.0297  -0.0045 179 LYS   A CE   
2916 N  NZ   . LYS   A 179 ? 0.2284 0.2839 0.2757 0.0282  0.0413  -0.0186 179 LYS   A NZ   
2917 H  H    . LYS   A 179 ? 0.1251 0.1486 0.1408 0.0038  0.0058  -0.0043 179 LYS   A H    
2918 H  HA   . LYS   A 179 ? 0.1344 0.1443 0.1384 -0.0003 0.0020  -0.0025 179 LYS   A HA   
2919 H  HB2  . LYS   A 179 ? 0.1533 0.1578 0.1574 0.0025  0.0026  -0.0012 179 LYS   A HB2  
2920 H  HB3  . LYS   A 179 ? 0.1566 0.1611 0.1600 0.0064  0.0058  -0.0016 179 LYS   A HB3  
2921 H  HG2  . LYS   A 179 ? 0.1706 0.1772 0.1781 -0.0034 0.0031  -0.0030 179 LYS   A HG2  
2922 H  HG3  . LYS   A 179 ? 0.1671 0.1729 0.1735 0.0006  0.0042  -0.0030 179 LYS   A HG3  
2923 H  HD2  . LYS   A 179 ? 0.1898 0.1937 0.1954 -0.0076 0.0051  -0.0045 179 LYS   A HD2  
2924 H  HD3  . LYS   A 179 ? 0.1823 0.1847 0.1883 -0.0040 0.0058  -0.0080 179 LYS   A HD3  
2925 H  HE2  . LYS   A 179 ? 0.2178 0.2258 0.2245 -0.0097 0.0149  -0.0039 179 LYS   A HE2  
2926 H  HE3  . LYS   A 179 ? 0.2104 0.2146 0.2218 0.0000  0.0175  -0.0089 179 LYS   A HE3  
2927 H  HZ1  . LYS   A 179 ? 0.2519 0.2658 0.2656 -0.0053 0.0206  -0.0068 179 LYS   A HZ1  
2928 H  HZ2  . LYS   A 179 ? 0.2409 0.2591 0.2537 0.0086  0.0139  -0.0159 179 LYS   A HZ2  
2929 H  HZ3  . LYS   A 179 ? 0.2514 0.2628 0.2692 0.0168  0.0279  -0.0029 179 LYS   A HZ3  
2930 N  N    . GLY   A 180 ? 0.1215 0.1298 0.1050 0.0076  0.0039  -0.0039 180 GLY   A N    
2931 C  CA   . GLY   A 180 ? 0.1168 0.1112 0.1089 0.0056  -0.0066 -0.0039 180 GLY   A CA   
2932 C  C    . GLY   A 180 ? 0.1093 0.1160 0.1106 0.0024  -0.0063 -0.0093 180 GLY   A C    
2933 O  O    . GLY   A 180 ? 0.1167 0.1185 0.1211 -0.0010 0.0034  -0.0166 180 GLY   A O    
2934 H  H    . GLY   A 180 ? 0.1221 0.1237 0.1168 0.0053  -0.0006 0.0006  180 GLY   A H    
2935 H  HA2  . GLY   A 180 ? 0.1124 0.1171 0.1090 0.0019  -0.0030 -0.0042 180 GLY   A HA2  
2936 H  HA3  . GLY   A 180 ? 0.1159 0.1136 0.1115 0.0037  -0.0039 -0.0004 180 GLY   A HA3  
2937 N  N    . ASP   A 181 ? 0.1063 0.1099 0.0968 0.0010  0.0012  0.0019  181 ASP   A N    
2938 C  CA   . ASP   A 181 ? 0.0949 0.1066 0.1103 -0.0060 0.0030  -0.0057 181 ASP   A CA   
2939 C  C    . ASP   A 181 ? 0.0914 0.0951 0.1024 -0.0167 0.0029  -0.0081 181 ASP   A C    
2940 O  O    . ASP   A 181 ? 0.0987 0.1108 0.0948 -0.0023 0.0028  -0.0029 181 ASP   A O    
2941 C  CB   . ASP   A 181 ? 0.1070 0.1179 0.1081 -0.0049 -0.0027 -0.0060 181 ASP   A CB   
2942 C  CG   . ASP   A 181 ? 0.1080 0.1149 0.1180 -0.0073 0.0021  -0.0034 181 ASP   A CG   
2943 O  OD1  . ASP   A 181 ? 0.1212 0.1178 0.1159 -0.0173 -0.0015 -0.0005 181 ASP   A OD1  
2944 O  OD2  . ASP   A 181 ? 0.1167 0.1482 0.1133 0.0004  -0.0057 0.0112  181 ASP   A OD2  
2945 H  H    . ASP   A 181 ? 0.1068 0.1115 0.1057 -0.0004 0.0011  -0.0018 181 ASP   A H    
2946 H  HA   . ASP   A 181 ? 0.1011 0.1061 0.1052 -0.0049 0.0038  -0.0029 181 ASP   A HA   
2947 H  HB2  . ASP   A 181 ? 0.1103 0.1154 0.1120 -0.0024 0.0009  -0.0029 181 ASP   A HB2  
2948 H  HB3  . ASP   A 181 ? 0.1077 0.1137 0.1118 -0.0028 -0.0017 -0.0023 181 ASP   A HB3  
2949 N  N    . SER   A 182 ? 0.0900 0.1099 0.0981 -0.0031 0.0066  -0.0059 182 SER   A N    
2950 C  CA   . SER   A 182 ? 0.0972 0.1091 0.1030 -0.0089 -0.0019 -0.0024 182 SER   A CA   
2951 C  C    . SER   A 182 ? 0.0955 0.0991 0.0792 -0.0052 -0.0083 0.0031  182 SER   A C    
2952 O  O    . SER   A 182 ? 0.1122 0.1006 0.1156 -0.0187 -0.0053 -0.0067 182 SER   A O    
2953 C  CB   . SER   A 182 ? 0.1102 0.1387 0.1128 -0.0011 0.0064  0.0057  182 SER   A CB   
2954 O  OG   . SER   A 182 ? 0.1155 0.1337 0.1330 0.0011  0.0184  0.0034  182 SER   A OG   
2955 H  H    . SER   A 182 ? 0.0945 0.1001 0.1001 0.0012  0.0026  -0.0040 182 SER   A H    
2956 H  HA   . SER   A 182 ? 0.0991 0.1039 0.1000 -0.0033 -0.0016 -0.0004 182 SER   A HA   
2957 H  HB2  . SER   A 182 ? 0.1123 0.1267 0.1205 0.0054  0.0062  0.0080  182 SER   A HB2  
2958 H  HB3  . SER   A 182 ? 0.1135 0.1222 0.1177 -0.0036 0.0058  0.0005  182 SER   A HB3  
2959 H  HG   . SER   A 182 ? 0.1210 0.1210 0.1210 0.0000  0.0000  0.0000  182 SER   A HG   
2960 N  N    . GLY   A 183 ? 0.0900 0.0938 0.0924 -0.0100 -0.0006 0.0060  183 GLY   A N    
2961 C  CA   . GLY   A 183 ? 0.0912 0.1051 0.0944 -0.0079 -0.0042 0.0079  183 GLY   A CA   
2962 C  C    . GLY   A 183 ? 0.0928 0.0956 0.0944 -0.0093 -0.0023 0.0053  183 GLY   A C    
2963 O  O    . GLY   A 183 ? 0.1000 0.1071 0.1169 -0.0044 0.0078  0.0087  183 GLY   A O    
2964 H  H    . GLY   A 183 ? 0.0889 0.0906 0.0916 -0.0056 -0.0027 0.0048  183 GLY   A H    
2965 H  HA2  . GLY   A 183 ? 0.0943 0.0975 0.0969 -0.0040 -0.0013 0.0014  183 GLY   A HA2  
2966 H  HA3  . GLY   A 183 ? 0.0947 0.0987 0.0960 -0.0016 -0.0022 0.0038  183 GLY   A HA3  
2967 N  N    . GLY   A 184 ? 0.0925 0.1033 0.0949 -0.0062 -0.0016 0.0091  184 GLY   A N    
2968 C  CA   . GLY   A 184 ? 0.0983 0.1057 0.0975 -0.0068 0.0024  0.0103  184 GLY   A CA   
2969 C  C    . GLY   A 184 ? 0.0973 0.1082 0.1085 -0.0002 0.0099  0.0039  184 GLY   A C    
2970 O  O    . GLY   A 184 ? 0.1117 0.1112 0.1238 -0.0125 0.0097  0.0133  184 GLY   A O    
2971 H  H    . GLY   A 184 ? 0.0968 0.1005 0.0950 -0.0020 -0.0007 0.0066  184 GLY   A H    
2972 H  HA2  . GLY   A 184 ? 0.0985 0.1038 0.1023 -0.0051 0.0041  0.0057  184 GLY   A HA2  
2973 H  HA3  . GLY   A 184 ? 0.0996 0.1039 0.1007 -0.0010 0.0034  0.0057  184 GLY   A HA3  
2974 N  N    . PRO   A 185 ? 0.1115 0.1064 0.1114 -0.0024 0.0122  -0.0056 185 PRO   A N    
2975 C  CA   . PRO   A 185 ? 0.1220 0.1041 0.1157 -0.0225 0.0066  -0.0011 185 PRO   A CA   
2976 C  C    . PRO   A 185 ? 0.1237 0.1157 0.1291 -0.0191 -0.0021 -0.0017 185 PRO   A C    
2977 O  O    . PRO   A 185 ? 0.1448 0.1248 0.1281 -0.0212 -0.0184 -0.0037 185 PRO   A O    
2978 C  CB   . PRO   A 185 ? 0.1297 0.1414 0.1107 -0.0005 0.0094  -0.0154 185 PRO   A CB   
2979 C  CG   . PRO   A 185 ? 0.1301 0.1414 0.1217 -0.0177 0.0180  -0.0186 185 PRO   A CG   
2980 C  CD   . PRO   A 185 ? 0.1197 0.1218 0.1198 -0.0152 0.0139  -0.0074 185 PRO   A CD   
2981 H  HA   . PRO   A 185 ? 0.1202 0.1136 0.1153 -0.0103 0.0052  0.0012  185 PRO   A HA   
2982 H  HB2  . PRO   A 185 ? 0.1262 0.1196 0.1147 -0.0082 0.0068  -0.0065 185 PRO   A HB2  
2983 H  HB3  . PRO   A 185 ? 0.1285 0.1288 0.1229 -0.0086 0.0037  -0.0082 185 PRO   A HB3  
2984 H  HG2  . PRO   A 185 ? 0.1327 0.1331 0.1318 -0.0107 0.0084  -0.0113 185 PRO   A HG2  
2985 H  HG3  . PRO   A 185 ? 0.1231 0.1330 0.1215 -0.0072 0.0102  -0.0122 185 PRO   A HG3  
2986 H  HD2  . PRO   A 185 ? 0.1243 0.1263 0.1210 -0.0089 0.0093  -0.0065 185 PRO   A HD2  
2987 H  HD3  . PRO   A 185 ? 0.1200 0.1213 0.1194 -0.0042 0.0069  -0.0074 185 PRO   A HD3  
2988 N  N    . LEU   A 186 ? 0.1265 0.1130 0.1262 -0.0199 0.0033  -0.0055 186 LEU   A N    
2989 C  CA   . LEU   A 186 ? 0.1308 0.1352 0.1105 -0.0067 -0.0097 -0.0004 186 LEU   A CA   
2990 C  C    . LEU   A 186 ? 0.1140 0.1207 0.1372 -0.0254 -0.0132 -0.0059 186 LEU   A C    
2991 O  O    . LEU   A 186 ? 0.1361 0.1305 0.1550 -0.0118 -0.0051 -0.0030 186 LEU   A O    
2992 C  CB   . LEU   A 186 ? 0.1387 0.1344 0.1257 -0.0053 0.0089  -0.0112 186 LEU   A CB   
2993 C  CG   . LEU   A 186 ? 0.1479 0.1394 0.1470 -0.0218 0.0081  -0.0242 186 LEU   A CG   
2994 C  CD1  . LEU   A 186 ? 0.1492 0.1739 0.1573 -0.0215 0.0041  -0.0120 186 LEU   A CD1  
2995 C  CD2  . LEU   A 186 ? 0.1798 0.1712 0.1646 -0.0266 0.0075  0.0072  186 LEU   A CD2  
2996 H  H    . LEU   A 186 ? 0.1276 0.1249 0.1275 -0.0111 0.0000  -0.0027 186 LEU   A H    
2997 H  HA   . LEU   A 186 ? 0.1309 0.1284 0.1259 -0.0030 -0.0058 -0.0012 186 LEU   A HA   
2998 H  HB2  . LEU   A 186 ? 0.1326 0.1319 0.1266 0.0012  0.0019  -0.0078 186 LEU   A HB2  
2999 H  HB3  . LEU   A 186 ? 0.1415 0.1414 0.1348 -0.0056 0.0008  -0.0055 186 LEU   A HB3  
3000 H  HG   . LEU   A 186 ? 0.1441 0.1453 0.1394 -0.0069 0.0028  -0.0095 186 LEU   A HG   
3001 H  HD11 . LEU   A 186 ? 0.1508 0.1576 0.1532 -0.0043 0.0030  -0.0067 186 LEU   A HD11 
3002 H  HD12 . LEU   A 186 ? 0.1485 0.1558 0.1509 -0.0096 0.0011  -0.0102 186 LEU   A HD12 
3003 H  HD13 . LEU   A 186 ? 0.1507 0.1575 0.1555 -0.0088 -0.0022 -0.0058 186 LEU   A HD13 
3004 H  HD21 . LEU   A 186 ? 0.1676 0.1621 0.1663 -0.0147 -0.0007 0.0026  186 LEU   A HD21 
3005 H  HD22 . LEU   A 186 ? 0.1688 0.1647 0.1650 -0.0066 0.0052  -0.0018 186 LEU   A HD22 
3006 H  HD23 . LEU   A 186 ? 0.1768 0.1736 0.1626 -0.0140 0.0090  -0.0063 186 LEU   A HD23 
3007 N  N    . LEU   A 187 ? 0.1273 0.1325 0.1339 -0.0084 0.0036  -0.0046 187 LEU   A N    
3008 C  CA   A LEU   A 187 ? 0.1424 0.1390 0.1419 0.0021  0.0070  -0.0027 187 LEU   A CA   
3009 C  CA   B LEU   A 187 ? 0.1450 0.1481 0.1425 0.0025  0.0069  -0.0078 187 LEU   A CA   
3010 C  C    . LEU   A 187 ? 0.1573 0.1594 0.1406 -0.0121 0.0099  -0.0006 187 LEU   A C    
3011 O  O    . LEU   A 187 ? 0.1687 0.1580 0.1659 -0.0079 -0.0085 -0.0279 187 LEU   A O    
3012 C  CB   A LEU   A 187 ? 0.1507 0.1548 0.1410 -0.0102 0.0101  -0.0067 187 LEU   A CB   
3013 C  CB   B LEU   A 187 ? 0.1577 0.1633 0.1536 -0.0109 0.0118  -0.0089 187 LEU   A CB   
3014 C  CG   A LEU   A 187 ? 0.1471 0.1503 0.1489 0.0022  -0.0051 0.0047  187 LEU   A CG   
3015 C  CG   B LEU   A 187 ? 0.1546 0.1694 0.1646 -0.0119 0.0018  -0.0024 187 LEU   A CG   
3016 C  CD1  A LEU   A 187 ? 0.1365 0.1473 0.1348 -0.0170 0.0048  0.0003  187 LEU   A CD1  
3017 C  CD1  B LEU   A 187 ? 0.1679 0.1515 0.1827 -0.0064 -0.0060 0.0069  187 LEU   A CD1  
3018 C  CD2  A LEU   A 187 ? 0.1580 0.1619 0.1699 0.0030  0.0132  0.0034  187 LEU   A CD2  
3019 C  CD2  B LEU   A 187 ? 0.1567 0.1682 0.1721 -0.0078 -0.0011 0.0033  187 LEU   A CD2  
3020 H  H    . LEU   A 187 ? 0.1357 0.1388 0.1389 -0.0030 -0.0003 -0.0027 187 LEU   A H    
3021 H  HA   A LEU   A 187 ? 0.1445 0.1444 0.1461 0.0018  -0.0006 0.0024  187 LEU   A HA   
3022 H  HA   B LEU   A 187 ? 0.1469 0.1506 0.1488 -0.0003 0.0005  -0.0017 187 LEU   A HA   
3023 H  HB2  A LEU   A 187 ? 0.1571 0.1562 0.1544 -0.0050 0.0056  -0.0037 187 LEU   A HB2  
3024 H  HB2  B LEU   A 187 ? 0.1613 0.1650 0.1599 -0.0074 0.0061  -0.0057 187 LEU   A HB2  
3025 H  HB3  A LEU   A 187 ? 0.1477 0.1474 0.1440 0.0001  0.0044  -0.0019 187 LEU   A HB3  
3026 H  HB3  B LEU   A 187 ? 0.1519 0.1569 0.1506 -0.0010 0.0040  -0.0028 187 LEU   A HB3  
3027 H  HG   A LEU   A 187 ? 0.1469 0.1459 0.1443 0.0021  0.0004  0.0046  187 LEU   A HG   
3028 H  HG   B LEU   A 187 ? 0.1582 0.1639 0.1602 -0.0054 0.0009  -0.0007 187 LEU   A HG   
3029 H  HD11 A LEU   A 187 ? 0.1302 0.1514 0.1311 -0.0102 0.0101  0.0045  187 LEU   A HD11 
3030 H  HD11 B LEU   A 187 ? 0.1688 0.1639 0.1777 -0.0047 -0.0036 0.0041  187 LEU   A HD11 
3031 H  HD12 A LEU   A 187 ? 0.1301 0.1411 0.1426 -0.0135 -0.0088 -0.0056 187 LEU   A HD12 
3032 H  HD12 B LEU   A 187 ? 0.1626 0.1586 0.1717 -0.0015 -0.0031 0.0034  187 LEU   A HD12 
3033 H  HD13 A LEU   A 187 ? 0.1401 0.1457 0.1438 -0.0045 0.0012  0.0008  187 LEU   A HD13 
3034 H  HD13 B LEU   A 187 ? 0.1676 0.1630 0.1688 0.0008  -0.0058 0.0014  187 LEU   A HD13 
3035 H  HD21 A LEU   A 187 ? 0.1642 0.1641 0.1646 -0.0024 0.0073  0.0006  187 LEU   A HD21 
3036 H  HD21 B LEU   A 187 ? 0.1600 0.1638 0.1635 -0.0018 -0.0017 -0.0006 187 LEU   A HD21 
3037 H  HD22 A LEU   A 187 ? 0.1611 0.1711 0.1727 0.0049  0.0050  0.0023  187 LEU   A HD22 
3038 H  HD22 B LEU   A 187 ? 0.1590 0.1618 0.1661 -0.0016 0.0001  0.0007  187 LEU   A HD22 
3039 H  HD23 A LEU   A 187 ? 0.1616 0.1590 0.1660 0.0000  0.0060  0.0037  187 LEU   A HD23 
3040 H  HD23 B LEU   A 187 ? 0.1620 0.1667 0.1650 -0.0058 0.0014  -0.0001 187 LEU   A HD23 
3041 N  N    . CYS   A 188 ? 0.1787 0.1682 0.1602 -0.0015 0.0095  -0.0176 188 CYS   A N    
3042 C  CA   . CYS   A 188 ? 0.1964 0.2037 0.1638 -0.0137 0.0053  -0.0267 188 CYS   A CA   
3043 C  C    . CYS   A 188 ? 0.2219 0.1969 0.2170 0.0082  0.0251  -0.0290 188 CYS   A C    
3044 O  O    . CYS   A 188 ? 0.2308 0.1957 0.2034 0.0105  0.0286  -0.0461 188 CYS   A O    
3045 C  CB   . CYS   A 188 ? 0.2411 0.1911 0.1878 -0.0101 0.0178  -0.0246 188 CYS   A CB   
3046 S  SG   . CYS   A 188 ? 0.2352 0.2063 0.1969 -0.0297 0.0304  0.0000  188 CYS   A SG   
3047 H  H    . CYS   A 188 ? 0.1766 0.1715 0.1650 -0.0068 0.0051  -0.0096 188 CYS   A H    
3048 H  HA   . CYS   A 188 ? 0.2014 0.1946 0.1855 -0.0074 0.0033  -0.0169 188 CYS   A HA   
3049 H  HB2  . CYS   A 188 ? 0.2212 0.2098 0.1964 -0.0152 0.0142  -0.0164 188 CYS   A HB2  
3050 H  HB3  . CYS   A 188 ? 0.2155 0.2000 0.1927 -0.0108 0.0120  -0.0167 188 CYS   A HB3  
3051 H  HG   . CYS   A 188 ? 0.2242 0.2048 0.2086 -0.0065 0.0162  -0.0092 188 CYS   A HG   
3052 N  N    . ALA   A 189 ? 0.2553 0.2299 0.2147 -0.0010 0.0265  -0.0426 189 ALA   A N    
3053 C  CA   . ALA   A 189 ? 0.2764 0.2778 0.2361 0.0085  0.0491  -0.0426 189 ALA   A CA   
3054 C  C    . ALA   A 189 ? 0.2774 0.2561 0.2684 0.0093  0.0364  -0.0450 189 ALA   A C    
3055 O  O    . ALA   A 189 ? 0.3201 0.3187 0.2859 0.0357  0.0754  -0.0517 189 ALA   A O    
3056 C  CB   . ALA   A 189 ? 0.3055 0.2906 0.2882 0.0055  0.0171  -0.0400 189 ALA   A CB   
3057 H  H    . ALA   A 189 ? 0.2482 0.2368 0.2250 -0.0091 0.0166  -0.0266 189 ALA   A H    
3058 H  HA   . ALA   A 189 ? 0.2751 0.2718 0.2703 -0.0006 0.0207  -0.0189 189 ALA   A HA   
3059 H  HB1  . ALA   A 189 ? 0.2899 0.2915 0.2809 0.0099  0.0217  -0.0205 189 ALA   A HB1  
3060 H  HB2  . ALA   A 189 ? 0.2810 0.2859 0.2742 0.0045  0.0029  -0.0206 189 ALA   A HB2  
3061 H  HB3  . ALA   A 189 ? 0.2890 0.2870 0.2929 -0.0063 0.0156  -0.0215 189 ALA   A HB3  
3062 N  N    . GLY   A 190 ? 0.2636 0.2337 0.2217 -0.0024 0.0581  -0.0210 190 GLY   A N    
3063 C  CA   . GLY   A 190 ? 0.2460 0.2629 0.2325 0.0076  0.0411  -0.0232 190 GLY   A CA   
3064 C  C    . GLY   A 190 ? 0.2319 0.2497 0.2495 0.0019  0.0435  -0.0114 190 GLY   A C    
3065 O  O    . GLY   A 190 ? 0.2655 0.2914 0.2242 -0.0250 0.0590  -0.0190 190 GLY   A O    
3066 H  H    . GLY   A 190 ? 0.2448 0.2476 0.2412 0.0048  0.0241  -0.0144 190 GLY   A H    
3067 H  HA2  . GLY   A 190 ? 0.2452 0.2522 0.2348 -0.0018 0.0314  -0.0113 190 GLY   A HA2  
3068 H  HA3  . GLY   A 190 ? 0.2252 0.2520 0.2216 0.0076  0.0216  -0.0153 190 GLY   A HA3  
3069 N  N    . VAL   A 191 ? 0.2355 0.2325 0.2132 0.0076  0.0411  -0.0284 191 VAL   A N    
3070 C  CA   . VAL   A 191 ? 0.2194 0.2373 0.2260 0.0149  0.0375  -0.0075 191 VAL   A CA   
3071 C  C    . VAL   A 191 ? 0.1924 0.1783 0.1958 -0.0004 0.0110  -0.0095 191 VAL   A C    
3072 O  O    . VAL   A 191 ? 0.1813 0.1699 0.2030 0.0055  0.0185  -0.0124 191 VAL   A O    
3073 C  CB   . VAL   A 191 ? 0.2474 0.2517 0.2721 0.0107  0.0387  -0.0093 191 VAL   A CB   
3074 C  CG1  . VAL   A 191 ? 0.2751 0.2565 0.2962 0.0284  0.0073  -0.0192 191 VAL   A CG1  
3075 C  CG2  . VAL   A 191 ? 0.3010 0.2792 0.2686 0.0520  0.0306  -0.0377 191 VAL   A CG2  
3076 H  H    . VAL   A 191 ? 0.2358 0.2351 0.2257 0.0073  0.0299  -0.0196 191 VAL   A H    
3077 H  HA   . VAL   A 191 ? 0.2284 0.2336 0.2304 0.0064  0.0284  -0.0101 191 VAL   A HA   
3078 H  HB   . VAL   A 191 ? 0.2515 0.2549 0.2635 0.0106  0.0247  -0.0120 191 VAL   A HB   
3079 H  HG11 . VAL   A 191 ? 0.2677 0.2555 0.2727 0.0130  -0.0025 -0.0075 191 VAL   A HG11 
3080 H  HG12 . VAL   A 191 ? 0.2648 0.2529 0.2774 0.0176  0.0114  -0.0120 191 VAL   A HG12 
3081 H  HG13 . VAL   A 191 ? 0.2730 0.2667 0.2816 0.0143  0.0150  -0.0061 191 VAL   A HG13 
3082 H  HG21 . VAL   A 191 ? 0.2993 0.2909 0.2717 0.0327  0.0324  -0.0108 191 VAL   A HG21 
3083 H  HG22 . VAL   A 191 ? 0.2801 0.2701 0.2711 0.0197  0.0247  -0.0145 191 VAL   A HG22 
3084 H  HG23 . VAL   A 191 ? 0.2844 0.2736 0.2812 0.0172  0.0200  -0.0119 191 VAL   A HG23 
3085 N  N    . ALA   A 192 ? 0.1731 0.1906 0.2069 -0.0148 0.0240  -0.0080 192 ALA   A N    
3086 C  CA   . ALA   A 192 ? 0.1715 0.1740 0.1749 -0.0081 0.0099  0.0089  192 ALA   A CA   
3087 C  C    . ALA   A 192 ? 0.1676 0.1760 0.2037 -0.0049 0.0035  0.0201  192 ALA   A C    
3088 O  O    . ALA   A 192 ? 0.1720 0.2039 0.2560 0.0121  0.0078  0.0273  192 ALA   A O    
3089 C  CB   . ALA   A 192 ? 0.1947 0.2212 0.2117 -0.0240 0.0059  -0.0034 192 ALA   A CB   
3090 H  H    . ALA   A 192 ? 0.1786 0.1851 0.1955 -0.0155 0.0094  -0.0041 192 ALA   A H    
3091 H  HA   . ALA   A 192 ? 0.1771 0.1791 0.1869 -0.0022 0.0062  0.0051  192 ALA   A HA   
3092 H  HB1  . ALA   A 192 ? 0.1941 0.2038 0.2021 -0.0036 0.0033  -0.0052 192 ALA   A HB1  
3093 H  HB2  . ALA   A 192 ? 0.1964 0.2023 0.2013 -0.0112 -0.0008 0.0028  192 ALA   A HB2  
3094 H  HB3  . ALA   A 192 ? 0.2051 0.2090 0.2018 -0.0119 0.0096  -0.0033 192 ALA   A HB3  
3095 N  N    . GLN   A 193 ? 0.1542 0.1481 0.1599 -0.0054 0.0139  0.0001  193 GLN   A N    
3096 C  CA   . GLN   A 193 ? 0.1661 0.1292 0.1583 0.0097  0.0127  -0.0009 193 GLN   A CA   
3097 C  C    . GLN   A 193 ? 0.1490 0.1410 0.1447 0.0060  -0.0010 0.0040  193 GLN   A C    
3098 O  O    . GLN   A 193 ? 0.1618 0.1416 0.1540 0.0005  0.0156  0.0021  193 GLN   A O    
3099 C  CB   . GLN   A 193 ? 0.1771 0.1749 0.1643 -0.0100 0.0145  -0.0100 193 GLN   A CB   
3100 C  CG   . GLN   A 193 ? 0.2401 0.1953 0.1790 -0.0075 0.0349  -0.0172 193 GLN   A CG   
3101 C  CD   . GLN   A 193 ? 0.2551 0.2108 0.2196 0.0040  0.0188  -0.0216 193 GLN   A CD   
3102 O  OE1  . GLN   A 193 ? 0.2484 0.2121 0.2337 0.0235  0.0274  -0.0302 193 GLN   A OE1  
3103 N  NE2  . GLN   A 193 ? 0.3225 0.2812 0.2386 0.0356  0.0477  -0.0410 193 GLN   A NE2  
3104 H  H    . GLN   A 193 ? 0.1636 0.1577 0.1650 -0.0022 0.0083  0.0052  193 GLN   A H    
3105 H  HA   . GLN   A 193 ? 0.1574 0.1504 0.1645 0.0065  0.0036  0.0050  193 GLN   A HA   
3106 H  HB2  . GLN   A 193 ? 0.1853 0.1778 0.1711 -0.0047 0.0118  -0.0045 193 GLN   A HB2  
3107 H  HB3  . GLN   A 193 ? 0.1802 0.1697 0.1666 -0.0029 0.0134  -0.0057 193 GLN   A HB3  
3108 H  HG2  . GLN   A 193 ? 0.2076 0.1935 0.1873 -0.0024 0.0192  -0.0118 193 GLN   A HG2  
3109 H  HG3  . GLN   A 193 ? 0.2188 0.2006 0.2012 0.0054  0.0198  -0.0119 193 GLN   A HG3  
3110 H  HE21 . GLN   A 193 ? 0.2719 0.2559 0.2401 -0.0013 0.0294  -0.0256 193 GLN   A HE21 
3111 H  HE22 . GLN   A 193 ? 0.2792 0.2522 0.2605 0.0102  0.0257  -0.0201 193 GLN   A HE22 
3112 N  N    . GLY   A 194 ? 0.1223 0.1260 0.1202 -0.0153 0.0093  0.0082  194 GLY   A N    
3113 C  CA   . GLY   A 194 ? 0.1457 0.1296 0.1280 -0.0176 0.0080  -0.0159 194 GLY   A CA   
3114 C  C    . GLY   A 194 ? 0.1343 0.1100 0.1113 -0.0020 0.0032  0.0055  194 GLY   A C    
3115 O  O    . GLY   A 194 ? 0.1254 0.1136 0.1167 -0.0024 0.0121  -0.0013 194 GLY   A O    
3116 H  H    . GLY   A 194 ? 0.1357 0.1219 0.1207 -0.0092 0.0076  0.0064  194 GLY   A H    
3117 H  HA2  . GLY   A 194 ? 0.1362 0.1348 0.1363 -0.0100 0.0069  -0.0069 194 GLY   A HA2  
3118 H  HA3  . GLY   A 194 ? 0.1406 0.1265 0.1279 -0.0108 0.0118  -0.0045 194 GLY   A HA3  
3119 N  N    . ILE   A 195 ? 0.1184 0.0986 0.1076 -0.0133 -0.0007 0.0000  195 ILE   A N    
3120 C  CA   . ILE   A 195 ? 0.1091 0.0949 0.1076 -0.0088 0.0044  -0.0001 195 ILE   A CA   
3121 C  C    . ILE   A 195 ? 0.1019 0.0964 0.0981 -0.0083 -0.0043 -0.0005 195 ILE   A C    
3122 O  O    . ILE   A 195 ? 0.1081 0.1086 0.1132 -0.0173 -0.0047 0.0155  195 ILE   A O    
3123 C  CB   . ILE   A 195 ? 0.1202 0.1072 0.1221 -0.0075 -0.0066 0.0001  195 ILE   A CB   
3124 C  CG1  . ILE   A 195 ? 0.1265 0.1244 0.1386 -0.0072 0.0040  0.0009  195 ILE   A CG1  
3125 C  CG2  . ILE   A 195 ? 0.1376 0.1073 0.1303 -0.0056 -0.0077 0.0025  195 ILE   A CG2  
3126 C  CD1  . ILE   A 195 ? 0.1390 0.1442 0.1400 -0.0125 0.0011  0.0043  195 ILE   A CD1  
3127 H  H    . ILE   A 195 ? 0.1151 0.1020 0.1057 -0.0073 0.0027  0.0026  195 ILE   A H    
3128 H  HA   . ILE   A 195 ? 0.1124 0.1005 0.1040 -0.0062 0.0021  0.0031  195 ILE   A HA   
3129 H  HB   . ILE   A 195 ? 0.1204 0.1121 0.1196 -0.0025 -0.0022 0.0003  195 ILE   A HB   
3130 H  HG12 . ILE   A 195 ? 0.1252 0.1239 0.1280 -0.0031 0.0005  0.0003  195 ILE   A HG12 
3131 H  HG13 . ILE   A 195 ? 0.1262 0.1253 0.1295 -0.0044 0.0009  0.0013  195 ILE   A HG13 
3132 H  HG21 . ILE   A 195 ? 0.1314 0.1158 0.1253 -0.0075 -0.0082 0.0023  195 ILE   A HG21 
3133 H  HG22 . ILE   A 195 ? 0.1281 0.1147 0.1248 -0.0044 -0.0011 0.0011  195 ILE   A HG22 
3134 H  HG23 . ILE   A 195 ? 0.1261 0.1163 0.1244 -0.0017 -0.0050 0.0013  195 ILE   A HG23 
3135 H  HD11 . ILE   A 195 ? 0.1332 0.1345 0.1336 -0.0045 0.0000  0.0014  195 ILE   A HD11 
3136 H  HD12 . ILE   A 195 ? 0.1400 0.1404 0.1382 -0.0082 -0.0028 0.0045  195 ILE   A HD12 
3137 H  HD13 . ILE   A 195 ? 0.1353 0.1368 0.1380 -0.0022 0.0009  0.0039  195 ILE   A HD13 
3138 N  N    . VAL   A 196 ? 0.1006 0.1019 0.0894 -0.0067 0.0001  0.0028  196 VAL   A N    
3139 C  CA   . VAL   A 196 ? 0.0965 0.0948 0.0975 -0.0028 -0.0087 0.0049  196 VAL   A CA   
3140 C  C    . VAL   A 196 ? 0.0925 0.0978 0.1004 -0.0085 0.0036  -0.0010 196 VAL   A C    
3141 O  O    . VAL   A 196 ? 0.1094 0.1103 0.0978 -0.0280 -0.0027 0.0120  196 VAL   A O    
3142 C  CB   . VAL   A 196 ? 0.1028 0.0939 0.0983 -0.0051 -0.0102 0.0036  196 VAL   A CB   
3143 C  CG1  . VAL   A 196 ? 0.1086 0.1196 0.1043 -0.0068 -0.0063 -0.0013 196 VAL   A CG1  
3144 C  CG2  . VAL   A 196 ? 0.0969 0.1123 0.1003 -0.0101 -0.0024 -0.0026 196 VAL   A CG2  
3145 H  H    . VAL   A 196 ? 0.0979 0.0966 0.0940 -0.0046 -0.0005 0.0041  196 VAL   A H    
3146 H  HA   . VAL   A 196 ? 0.0962 0.0958 0.0965 -0.0031 -0.0049 0.0023  196 VAL   A HA   
3147 H  HB   . VAL   A 196 ? 0.0965 0.0978 0.1000 -0.0046 -0.0066 0.0005  196 VAL   A HB   
3148 H  HG11 . VAL   A 196 ? 0.1059 0.1087 0.1051 -0.0043 -0.0038 -0.0012 196 VAL   A HG11 
3149 H  HG12 . VAL   A 196 ? 0.1065 0.1134 0.1067 -0.0060 -0.0037 -0.0051 196 VAL   A HG12 
3150 H  HG13 . VAL   A 196 ? 0.1061 0.1075 0.1043 -0.0019 -0.0035 0.0002  196 VAL   A HG13 
3151 H  HG21 . VAL   A 196 ? 0.0982 0.1010 0.1007 -0.0053 -0.0043 -0.0025 196 VAL   A HG21 
3152 H  HG22 . VAL   A 196 ? 0.1009 0.1092 0.1023 -0.0074 -0.0026 -0.0055 196 VAL   A HG22 
3153 H  HG23 . VAL   A 196 ? 0.1022 0.1045 0.1009 -0.0035 -0.0018 -0.0012 196 VAL   A HG23 
3154 N  N    . SER   A 197 ? 0.0978 0.0964 0.0950 -0.0169 -0.0031 0.0033  197 SER   A N    
3155 C  CA   . SER   A 197 ? 0.1016 0.1004 0.0932 -0.0183 -0.0143 -0.0069 197 SER   A CA   
3156 C  C    . SER   A 197 ? 0.1178 0.1083 0.0925 -0.0015 -0.0137 -0.0011 197 SER   A C    
3157 O  O    . SER   A 197 ? 0.1318 0.1174 0.1330 -0.0132 0.0005  -0.0229 197 SER   A O    
3158 C  CB   . SER   A 197 ? 0.1020 0.1046 0.0858 0.0004  0.0012  0.0010  197 SER   A CB   
3159 O  OG   . SER   A 197 ? 0.1126 0.1126 0.0847 -0.0140 0.0048  0.0104  197 SER   A OG   
3160 H  H    . SER   A 197 ? 0.0914 0.0961 0.0949 -0.0090 -0.0053 -0.0016 197 SER   A H    
3161 H  HA   . SER   A 197 ? 0.0858 0.0970 0.0980 -0.0158 -0.0134 -0.0066 197 SER   A HA   
3162 H  HB2  . SER   A 197 ? 0.1002 0.1077 0.0952 -0.0005 -0.0001 -0.0003 197 SER   A HB2  
3163 H  HB3  . SER   A 197 ? 0.1027 0.1046 0.0932 -0.0007 0.0004  0.0002  197 SER   A HB3  
3164 H  HG   . SER   A 197 ? 0.1041 0.1041 0.1041 0.0000  0.0000  0.0000  197 SER   A HG   
3165 N  N    . TYR   A 198 ? 0.1092 0.0926 0.0839 -0.0039 -0.0011 -0.0042 198 TYR   A N    
3166 C  CA   . TYR   A 198 ? 0.1005 0.1078 0.1000 -0.0032 -0.0111 -0.0055 198 TYR   A CA   
3167 C  C    . TYR   A 198 ? 0.0917 0.0946 0.1125 -0.0175 0.0019  -0.0065 198 TYR   A C    
3168 O  O    . TYR   A 198 ? 0.1292 0.1174 0.1186 -0.0083 -0.0097 -0.0245 198 TYR   A O    
3169 C  CB   . TYR   A 198 ? 0.1100 0.1140 0.1010 -0.0080 -0.0030 -0.0054 198 TYR   A CB   
3170 C  CG   . TYR   A 198 ? 0.1143 0.1147 0.0921 -0.0054 0.0128  -0.0042 198 TYR   A CG   
3171 C  CD1  . TYR   A 198 ? 0.1238 0.1188 0.0917 0.0002  0.0051  -0.0071 198 TYR   A CD1  
3172 C  CD2  . TYR   A 198 ? 0.1143 0.1376 0.1290 0.0025  0.0050  0.0193  198 TYR   A CD2  
3173 C  CE1  . TYR   A 198 ? 0.1251 0.1244 0.1195 -0.0025 0.0051  -0.0019 198 TYR   A CE1  
3174 C  CE2  . TYR   A 198 ? 0.1306 0.1426 0.1505 -0.0107 -0.0030 0.0162  198 TYR   A CE2  
3175 C  CZ   . TYR   A 198 ? 0.1344 0.1239 0.1215 -0.0143 0.0083  0.0106  198 TYR   A CZ   
3176 O  OH   . TYR   A 198 ? 0.1441 0.1430 0.1374 -0.0362 -0.0089 0.0300  198 TYR   A OH   
3177 H  H    . TYR   A 198 ? 0.1062 0.0942 0.0906 -0.0040 -0.0044 -0.0048 198 TYR   A H    
3178 H  HA   . TYR   A 198 ? 0.1039 0.1078 0.1009 -0.0046 -0.0045 -0.0049 198 TYR   A HA   
3179 H  HB2  . TYR   A 198 ? 0.1119 0.1133 0.1021 -0.0039 -0.0036 -0.0024 198 TYR   A HB2  
3180 H  HB3  . TYR   A 198 ? 0.1073 0.1117 0.1010 -0.0046 -0.0015 -0.0036 198 TYR   A HB3  
3181 H  HD1  . TYR   A 198 ? 0.1213 0.1190 0.0999 0.0029  0.0054  -0.0043 198 TYR   A HD1  
3182 H  HD2  . TYR   A 198 ? 0.1193 0.1238 0.1227 0.0006  0.0044  0.0093  198 TYR   A HD2  
3183 H  HE1  . TYR   A 198 ? 0.1263 0.1245 0.1146 -0.0016 0.0050  -0.0008 198 TYR   A HE1  
3184 H  HE2  . TYR   A 198 ? 0.1278 0.1327 0.1358 -0.0037 0.0012  0.0115  198 TYR   A HE2  
3185 H  HH   . TYR   A 198 ? 0.1409 0.1409 0.1409 0.0000  0.0000  0.0000  198 TYR   A HH   
3186 N  N    . GLY   A 199 ? 0.0998 0.1082 0.1013 -0.0059 -0.0092 -0.0123 199 GLY   A N    
3187 C  CA   . GLY   A 199 ? 0.0944 0.1018 0.1155 -0.0162 -0.0065 -0.0074 199 GLY   A CA   
3188 C  C    . GLY   A 199 ? 0.1197 0.1257 0.1178 -0.0112 0.0066  -0.0103 199 GLY   A C    
3189 O  O    . GLY   A 199 ? 0.1317 0.1440 0.1299 0.0070  0.0018  -0.0187 199 GLY   A O    
3190 H  H    . GLY   A 199 ? 0.0999 0.1003 0.1015 -0.0078 -0.0051 -0.0064 199 GLY   A H    
3191 H  HA2  . GLY   A 199 ? 0.1028 0.1017 0.1130 -0.0130 -0.0037 -0.0079 199 GLY   A HA2  
3192 H  HA3  . GLY   A 199 ? 0.1027 0.1085 0.1147 -0.0111 -0.0038 -0.0071 199 GLY   A HA3  
3193 N  N    . ARG   A 200 ? 0.1258 0.1285 0.1112 0.0060  -0.0018 -0.0027 200 ARG   A N    
3194 C  CA   . ARG   A 200 ? 0.1181 0.1400 0.1303 0.0069  -0.0026 0.0006  200 ARG   A CA   
3195 C  C    . ARG   A 200 ? 0.1308 0.1428 0.1483 -0.0005 0.0070  -0.0061 200 ARG   A C    
3196 O  O    . ARG   A 200 ? 0.1364 0.1405 0.1473 -0.0122 0.0043  -0.0143 200 ARG   A O    
3197 C  CB   . ARG   A 200 ? 0.1208 0.1366 0.1351 -0.0015 0.0001  -0.0076 200 ARG   A CB   
3198 C  CG   . ARG   A 200 ? 0.1495 0.1346 0.1529 -0.0051 0.0044  -0.0037 200 ARG   A CG   
3199 C  CD   . ARG   A 200 ? 0.1598 0.1557 0.1613 -0.0004 -0.0049 -0.0124 200 ARG   A CD   
3200 N  NE   . ARG   A 200 ? 0.1424 0.1555 0.1720 -0.0178 -0.0158 -0.0086 200 ARG   A NE   
3201 C  CZ   . ARG   A 200 ? 0.1923 0.1737 0.1682 -0.0045 0.0151  -0.0246 200 ARG   A CZ   
3202 N  NH1  . ARG   A 200 ? 0.1987 0.2072 0.2310 -0.0044 0.0217  0.0051  200 ARG   A NH1  
3203 N  NH2  . ARG   A 200 ? 0.1832 0.2225 0.2517 0.0057  0.0336  0.0013  200 ARG   A NH2  
3204 H  H    . ARG   A 200 ? 0.1213 0.1250 0.1171 -0.0005 -0.0018 -0.0061 200 ARG   A H    
3205 H  HA   . ARG   A 200 ? 0.1268 0.1380 0.1317 0.0025  0.0010  0.0001  200 ARG   A HA   
3206 H  HB2  . ARG   A 200 ? 0.1283 0.1362 0.1362 0.0003  0.0008  -0.0030 200 ARG   A HB2  
3207 H  HB3  . ARG   A 200 ? 0.1303 0.1353 0.1401 0.0034  0.0009  -0.0046 200 ARG   A HB3  
3208 H  HG2  . ARG   A 200 ? 0.1461 0.1415 0.1494 -0.0024 -0.0002 -0.0049 200 ARG   A HG2  
3209 H  HG3  . ARG   A 200 ? 0.1473 0.1441 0.1494 -0.0012 -0.0001 -0.0041 200 ARG   A HG3  
3210 H  HD2  . ARG   A 200 ? 0.1603 0.1596 0.1650 -0.0026 -0.0026 -0.0059 200 ARG   A HD2  
3211 H  HD3  . ARG   A 200 ? 0.1570 0.1531 0.1626 -0.0046 -0.0044 -0.0069 200 ARG   A HD3  
3212 H  HE   . ARG   A 200 ? 0.1624 0.1662 0.1729 -0.0079 -0.0045 -0.0025 200 ARG   A HE   
3213 H  HH11 . ARG   A 200 ? 0.2012 0.1995 0.1998 -0.0044 0.0127  -0.0038 200 ARG   A HH11 
3214 H  HH12 . ARG   A 200 ? 0.1935 0.1954 0.1961 -0.0046 0.0071  -0.0051 200 ARG   A HH12 
3215 H  HH21 . ARG   A 200 ? 0.1876 0.2134 0.2171 0.0038  0.0158  -0.0120 200 ARG   A HH21 
3216 H  HH22 . ARG   A 200 ? 0.1877 0.2023 0.1955 -0.0025 0.0126  -0.0074 200 ARG   A HH22 
3217 N  N    . SER   A 201 ? 0.1683 0.1629 0.1507 -0.0021 0.0087  -0.0284 201 SER   A N    
3218 C  CA   A SER   A 201 ? 0.1769 0.1663 0.1851 -0.0029 -0.0040 -0.0311 201 SER   A CA   
3219 C  CA   B SER   A 201 ? 0.1726 0.1653 0.1817 -0.0038 -0.0021 -0.0319 201 SER   A CA   
3220 C  C    . SER   A 201 ? 0.1564 0.1638 0.1848 0.0096  0.0214  -0.0155 201 SER   A C    
3221 O  O    . SER   A 201 ? 0.1956 0.1726 0.2248 -0.0018 0.0107  -0.0087 201 SER   A O    
3222 C  CB   A SER   A 201 ? 0.2221 0.2062 0.1899 0.0000  0.0087  -0.0360 201 SER   A CB   
3223 C  CB   B SER   A 201 ? 0.2067 0.1957 0.1690 0.0036  -0.0065 -0.0292 201 SER   A CB   
3224 O  OG   A SER   A 201 ? 0.3073 0.2656 0.2363 0.0429  -0.0366 -0.0433 201 SER   A OG   
3225 O  OG   B SER   A 201 ? 0.2162 0.1948 0.2229 -0.0080 -0.0005 -0.0489 201 SER   A OG   
3226 H  H    . SER   A 201 ? 0.1637 0.1624 0.1647 0.0004  0.0067  -0.0146 201 SER   A H    
3227 H  HA   A SER   A 201 ? 0.1750 0.1705 0.1758 -0.0009 0.0048  -0.0219 201 SER   A HA   
3228 H  HA   B SER   A 201 ? 0.1708 0.1701 0.1736 -0.0017 0.0034  -0.0224 201 SER   A HA   
3229 H  HB2  A SER   A 201 ? 0.2054 0.2070 0.1961 0.0084  -0.0038 -0.0271 201 SER   A HB2  
3230 H  HB2  B SER   A 201 ? 0.1952 0.1921 0.1837 0.0000  -0.0044 -0.0210 201 SER   A HB2  
3231 H  HB3  A SER   A 201 ? 0.2153 0.2036 0.1965 -0.0011 -0.0013 -0.0269 201 SER   A HB3  
3232 H  HB3  B SER   A 201 ? 0.1944 0.1884 0.1848 -0.0030 -0.0093 -0.0201 201 SER   A HB3  
3233 H  HG   A SER   A 201 ? 0.2151 0.2151 0.2151 0.0000  0.0000  0.0000  201 SER   A HG   
3234 H  HG   B SER   A 201 ? 0.1923 0.1923 0.1923 0.0000  0.0000  0.0000  201 SER   A HG   
3235 N  N    . ASP   A 202 ? 0.1547 0.1601 0.1770 0.0185  0.0096  -0.0176 202 ASP   A N    
3236 C  CA   . ASP   A 202 ? 0.1776 0.1663 0.1853 0.0008  -0.0022 -0.0015 202 ASP   A CA   
3237 C  C    . ASP   A 202 ? 0.1805 0.1653 0.1786 0.0031  -0.0073 -0.0065 202 ASP   A C    
3238 O  O    . ASP   A 202 ? 0.1968 0.1850 0.1846 0.0050  -0.0124 0.0057  202 ASP   A O    
3239 C  CB   . ASP   A 202 ? 0.1570 0.1850 0.2053 0.0361  0.0024  0.0073  202 ASP   A CB   
3240 C  CG   . ASP   A 202 ? 0.1685 0.1911 0.2321 0.0052  0.0069  -0.0107 202 ASP   A CG   
3241 O  OD1  . ASP   A 202 ? 0.1605 0.1683 0.1705 0.0056  -0.0060 -0.0073 202 ASP   A OD1  
3242 O  OD2  . ASP   A 202 ? 0.1765 0.2315 0.2498 -0.0105 -0.0037 0.0000  202 ASP   A OD2  
3243 H  H    . ASP   A 202 ? 0.1623 0.1725 0.1783 0.0055  0.0083  -0.0084 202 ASP   A H    
3244 H  HA   . ASP   A 202 ? 0.1719 0.1697 0.1860 0.0089  0.0012  -0.0062 202 ASP   A HA   
3245 H  HB2  . ASP   A 202 ? 0.1727 0.1813 0.1821 0.0138  -0.0032 0.0067  202 ASP   A HB2  
3246 H  HB3  . ASP   A 202 ? 0.1742 0.1833 0.1938 0.0133  -0.0017 0.0046  202 ASP   A HB3  
3247 N  N    . ALA   A 203 ? 0.1679 0.1583 0.1715 -0.0003 -0.0057 -0.0058 203 ALA   A N    
3248 C  CA   . ALA   A 203 ? 0.1701 0.1896 0.1747 0.0055  -0.0031 0.0009  203 ALA   A CA   
3249 C  C    . ALA   A 203 ? 0.1838 0.1762 0.1903 0.0073  0.0068  -0.0060 203 ALA   A C    
3250 O  O    . ALA   A 203 ? 0.2145 0.2421 0.1865 -0.0013 0.0141  -0.0075 203 ALA   A O    
3251 C  CB   . ALA   A 203 ? 0.2094 0.1978 0.2165 -0.0098 0.0165  -0.0031 203 ALA   A CB   
3252 H  H    . ALA   A 203 ? 0.1689 0.1669 0.1734 0.0028  -0.0047 -0.0034 203 ALA   A H    
3253 H  HA   . ALA   A 203 ? 0.1754 0.1795 0.1805 0.0060  -0.0048 0.0000  203 ALA   A HA   
3254 H  HB1  . ALA   A 203 ? 0.1983 0.2004 0.2023 0.0012  0.0079  -0.0009 203 ALA   A HB1  
3255 H  HB2  . ALA   A 203 ? 0.1973 0.2003 0.1987 -0.0036 0.0015  -0.0010 203 ALA   A HB2  
3256 H  HB3  . ALA   A 203 ? 0.2085 0.1994 0.2050 -0.0100 0.0116  -0.0046 203 ALA   A HB3  
3257 N  N    . LYS   A 204 ? 0.1732 0.1585 0.1600 0.0194  -0.0092 -0.0096 204 LYS   A N    
3258 C  CA   . LYS   A 204 ? 0.1979 0.1516 0.1611 0.0159  -0.0266 -0.0064 204 LYS   A CA   
3259 C  C    . LYS   A 204 ? 0.1770 0.1408 0.1498 0.0009  0.0009  0.0037  204 LYS   A C    
3260 O  O    . LYS   A 204 ? 0.1635 0.1519 0.1341 0.0126  -0.0088 -0.0072 204 LYS   A O    
3261 C  CB   . LYS   A 204 ? 0.2031 0.2013 0.1919 -0.0051 -0.0308 -0.0151 204 LYS   A CB   
3262 C  CG   . LYS   A 204 ? 0.2584 0.2839 0.2565 0.0422  -0.0151 -0.0028 204 LYS   A CG   
3263 C  CD   . LYS   A 204 ? 0.3065 0.3549 0.3326 -0.0126 -0.0249 0.0028  204 LYS   A CD   
3264 C  CE   . LYS   A 204 ? 0.3478 0.4300 0.3941 0.0471  0.0420  -0.0264 204 LYS   A CE   
3265 N  NZ   . LYS   A 204 ? 0.4368 0.4786 0.4328 -0.0267 0.0175  -0.0029 204 LYS   A NZ   
3266 H  H    . LYS   A 204 ? 0.1780 0.1661 0.1705 0.0128  0.0010  -0.0085 204 LYS   A H    
3267 H  HA   . LYS   A 204 ? 0.1834 0.1598 0.1663 0.0090  -0.0159 0.0024  204 LYS   A HA   
3268 H  HB2  . LYS   A 204 ? 0.2093 0.1999 0.1961 0.0063  -0.0216 -0.0047 204 LYS   A HB2  
3269 H  HB3  . LYS   A 204 ? 0.2139 0.1900 0.1947 -0.0013 -0.0209 -0.0088 204 LYS   A HB3  
3270 H  HG2  . LYS   A 204 ? 0.2467 0.2639 0.2556 0.0155  -0.0160 -0.0046 204 LYS   A HG2  
3271 H  HG3  . LYS   A 204 ? 0.2384 0.2642 0.2556 0.0181  -0.0123 0.0101  204 LYS   A HG3  
3272 H  HD2  . LYS   A 204 ? 0.3025 0.3398 0.3162 0.0106  -0.0048 -0.0121 204 LYS   A HD2  
3273 H  HD3  . LYS   A 204 ? 0.3034 0.3246 0.3203 0.0149  -0.0040 0.0075  204 LYS   A HD3  
3274 H  HE2  . LYS   A 204 ? 0.3505 0.4094 0.3809 0.0128  0.0162  -0.0307 204 LYS   A HE2  
3275 H  HE3  . LYS   A 204 ? 0.3504 0.3852 0.3693 0.0155  0.0187  0.0066  204 LYS   A HE3  
3276 H  HZ1  . LYS   A 204 ? 0.3997 0.4427 0.4086 -0.0033 0.0184  -0.0233 204 LYS   A HZ1  
3277 H  HZ2  . LYS   A 204 ? 0.4246 0.4481 0.4066 -0.0287 0.0244  -0.0122 204 LYS   A HZ2  
3278 H  HZ3  . LYS   A 204 ? 0.4010 0.4315 0.4141 0.0028  0.0229  0.0122  204 LYS   A HZ3  
3279 N  N    . PRO   A 205 ? 0.1505 0.1460 0.1345 0.0137  -0.0216 0.0044  205 PRO   A N    
3280 C  CA   . PRO   A 205 ? 0.1577 0.1317 0.1332 0.0018  -0.0018 -0.0028 205 PRO   A CA   
3281 C  C    . PRO   A 205 ? 0.1281 0.1262 0.1062 0.0065  0.0004  -0.0195 205 PRO   A C    
3282 O  O    . PRO   A 205 ? 0.1353 0.1599 0.1461 0.0020  -0.0301 -0.0183 205 PRO   A O    
3283 C  CB   . PRO   A 205 ? 0.1529 0.1532 0.1321 0.0052  -0.0017 -0.0087 205 PRO   A CB   
3284 C  CG   . PRO   A 205 ? 0.1623 0.1570 0.1594 -0.0102 -0.0057 0.0206  205 PRO   A CG   
3285 C  CD   . PRO   A 205 ? 0.1686 0.1462 0.1401 0.0027  -0.0264 0.0103  205 PRO   A CD   
3286 H  HA   . PRO   A 205 ? 0.1488 0.1412 0.1380 0.0024  0.0001  -0.0028 205 PRO   A HA   
3287 H  HB2  . PRO   A 205 ? 0.1527 0.1448 0.1407 0.0016  -0.0017 -0.0016 205 PRO   A HB2  
3288 H  HB3  . PRO   A 205 ? 0.1528 0.1483 0.1405 0.0041  -0.0020 -0.0014 205 PRO   A HB3  
3289 H  HG2  . PRO   A 205 ? 0.1606 0.1570 0.1550 0.0011  -0.0060 0.0108  205 PRO   A HG2  
3290 H  HG3  . PRO   A 205 ? 0.1519 0.1474 0.1462 -0.0056 -0.0054 0.0106  205 PRO   A HG3  
3291 H  HD2  . PRO   A 205 ? 0.1558 0.1492 0.1468 0.0019  -0.0072 0.0090  205 PRO   A HD2  
3292 H  HD3  . PRO   A 205 ? 0.1601 0.1497 0.1467 -0.0005 -0.0140 0.0081  205 PRO   A HD3  
3293 N  N    . PRO   A 206 ? 0.1330 0.1181 0.1150 0.0000  -0.0103 -0.0097 206 PRO   A N    
3294 C  CA   . PRO   A 206 ? 0.1279 0.1260 0.1001 -0.0104 -0.0091 -0.0060 206 PRO   A CA   
3295 C  C    . PRO   A 206 ? 0.1184 0.1010 0.1120 -0.0066 -0.0060 -0.0143 206 PRO   A C    
3296 O  O    . PRO   A 206 ? 0.1273 0.1377 0.1075 -0.0121 -0.0106 -0.0169 206 PRO   A O    
3297 C  CB   . PRO   A 206 ? 0.1259 0.1251 0.1110 -0.0129 -0.0131 -0.0059 206 PRO   A CB   
3298 C  CG   . PRO   A 206 ? 0.1388 0.1363 0.1440 -0.0139 0.0031  -0.0117 206 PRO   A CG   
3299 C  CD   . PRO   A 206 ? 0.1394 0.1339 0.1372 -0.0148 -0.0003 -0.0118 206 PRO   A CD   
3300 H  HA   . PRO   A 206 ? 0.1246 0.1194 0.1155 -0.0066 -0.0012 -0.0005 206 PRO   A HA   
3301 H  HB2  . PRO   A 206 ? 0.1202 0.1251 0.1160 -0.0057 -0.0060 -0.0061 206 PRO   A HB2  
3302 H  HB3  . PRO   A 206 ? 0.1266 0.1243 0.1163 -0.0092 -0.0059 -0.0080 206 PRO   A HB3  
3303 H  HG2  . PRO   A 206 ? 0.1348 0.1316 0.1404 -0.0105 0.0039  -0.0058 206 PRO   A HG2  
3304 H  HG3  . PRO   A 206 ? 0.1347 0.1311 0.1338 -0.0095 0.0002  -0.0039 206 PRO   A HG3  
3305 H  HD2  . PRO   A 206 ? 0.1363 0.1309 0.1342 -0.0082 -0.0029 -0.0086 206 PRO   A HD2  
3306 H  HD3  . PRO   A 206 ? 0.1348 0.1294 0.1299 -0.0078 0.0012  -0.0061 206 PRO   A HD3  
3307 N  N    . ALA   A 207 ? 0.1200 0.1302 0.1029 0.0024  -0.0051 -0.0196 207 ALA   A N    
3308 C  CA   . ALA   A 207 ? 0.1152 0.1279 0.1067 0.0014  -0.0086 -0.0242 207 ALA   A CA   
3309 C  C    . ALA   A 207 ? 0.1174 0.1087 0.1018 -0.0123 -0.0040 -0.0084 207 ALA   A C    
3310 O  O    . ALA   A 207 ? 0.1322 0.1216 0.1185 -0.0054 -0.0174 -0.0204 207 ALA   A O    
3311 C  CB   . ALA   A 207 ? 0.1427 0.1300 0.1259 0.0025  -0.0103 -0.0146 207 ALA   A CB   
3312 H  H    . ALA   A 207 ? 0.1147 0.1210 0.1117 0.0006  0.0001  -0.0160 207 ALA   A H    
3313 H  HA   . ALA   A 207 ? 0.1176 0.1235 0.1123 -0.0007 -0.0024 -0.0161 207 ALA   A HA   
3314 H  HB1  . ALA   A 207 ? 0.1312 0.1300 0.1229 -0.0020 -0.0061 -0.0120 207 ALA   A HB1  
3315 H  HB2  . ALA   A 207 ? 0.1268 0.1275 0.1211 -0.0015 -0.0017 -0.0094 207 ALA   A HB2  
3316 H  HB3  . ALA   A 207 ? 0.1345 0.1311 0.1311 0.0000  -0.0077 -0.0095 207 ALA   A HB3  
3317 N  N    . VAL   A 208 ? 0.1091 0.1014 0.1071 -0.0101 -0.0101 -0.0061 208 VAL   A N    
3318 C  CA   . VAL   A 208 ? 0.1065 0.1098 0.0978 -0.0078 0.0022  -0.0037 208 VAL   A CA   
3319 C  C    . VAL   A 208 ? 0.1023 0.0989 0.1146 -0.0030 -0.0043 -0.0075 208 VAL   A C    
3320 O  O    . VAL   A 208 ? 0.1200 0.1076 0.1131 -0.0146 0.0032  -0.0158 208 VAL   A O    
3321 C  CB   . VAL   A 208 ? 0.1178 0.1105 0.1013 -0.0102 0.0096  -0.0030 208 VAL   A CB   
3322 C  CG1  . VAL   A 208 ? 0.1252 0.1118 0.1141 -0.0126 -0.0009 -0.0045 208 VAL   A CG1  
3323 C  CG2  . VAL   A 208 ? 0.1176 0.1200 0.1170 -0.0036 0.0111  -0.0002 208 VAL   A CG2  
3324 H  H    . VAL   A 208 ? 0.1105 0.1047 0.1035 -0.0061 -0.0036 -0.0039 208 VAL   A H    
3325 H  HA   . VAL   A 208 ? 0.1085 0.1067 0.1047 -0.0066 -0.0002 -0.0024 208 VAL   A HA   
3326 H  HB   . VAL   A 208 ? 0.1156 0.1081 0.1065 -0.0075 0.0056  -0.0020 208 VAL   A HB   
3327 H  HG11 . VAL   A 208 ? 0.1160 0.1120 0.1123 -0.0036 0.0014  -0.0032 208 VAL   A HG11 
3328 H  HG12 . VAL   A 208 ? 0.1193 0.1128 0.1161 -0.0069 0.0014  -0.0033 208 VAL   A HG12 
3329 H  HG13 . VAL   A 208 ? 0.1196 0.1126 0.1115 -0.0073 0.0017  -0.0027 208 VAL   A HG13 
3330 H  HG21 . VAL   A 208 ? 0.1171 0.1186 0.1158 -0.0034 0.0077  0.0006  208 VAL   A HG21 
3331 H  HG22 . VAL   A 208 ? 0.1170 0.1172 0.1149 -0.0040 0.0066  -0.0017 208 VAL   A HG22 
3332 H  HG23 . VAL   A 208 ? 0.1190 0.1194 0.1146 -0.0037 0.0067  -0.0009 208 VAL   A HG23 
3333 N  N    . PHE   A 209 ? 0.0903 0.0941 0.1080 -0.0097 -0.0036 -0.0050 209 PHE   A N    
3334 C  CA   . PHE   A 209 ? 0.0933 0.0997 0.1035 -0.0127 0.0042  0.0012  209 PHE   A CA   
3335 C  C    . PHE   A 209 ? 0.1126 0.1022 0.1093 -0.0121 -0.0017 0.0137  209 PHE   A C    
3336 O  O    . PHE   A 209 ? 0.1404 0.1051 0.1382 -0.0226 -0.0087 0.0099  209 PHE   A O    
3337 C  CB   . PHE   A 209 ? 0.1112 0.1147 0.1016 -0.0123 -0.0022 -0.0040 209 PHE   A CB   
3338 C  CG   . PHE   A 209 ? 0.1176 0.1126 0.1113 -0.0113 -0.0019 -0.0043 209 PHE   A CG   
3339 C  CD1  . PHE   A 209 ? 0.1154 0.1211 0.1330 -0.0096 0.0022  -0.0050 209 PHE   A CD1  
3340 C  CD2  . PHE   A 209 ? 0.1050 0.1101 0.1070 -0.0126 -0.0101 -0.0090 209 PHE   A CD2  
3341 C  CE1  . PHE   A 209 ? 0.1201 0.1419 0.1303 -0.0053 -0.0087 -0.0067 209 PHE   A CE1  
3342 C  CE2  . PHE   A 209 ? 0.1258 0.1209 0.1119 -0.0067 0.0002  -0.0023 209 PHE   A CE2  
3343 C  CZ   . PHE   A 209 ? 0.1339 0.1213 0.1167 0.0002  -0.0131 -0.0084 209 PHE   A CZ   
3344 H  H    . PHE   A 209 ? 0.0966 0.0960 0.1050 -0.0088 -0.0019 -0.0061 209 PHE   A H    
3345 H  HA   . PHE   A 209 ? 0.1017 0.1021 0.1055 -0.0092 -0.0001 -0.0021 209 PHE   A HA   
3346 H  HB2  . PHE   A 209 ? 0.1091 0.1070 0.1060 -0.0061 -0.0003 -0.0032 209 PHE   A HB2  
3347 H  HB3  . PHE   A 209 ? 0.1116 0.1096 0.1055 -0.0089 -0.0009 -0.0023 209 PHE   A HB3  
3348 H  HD1  . PHE   A 209 ? 0.1145 0.1183 0.1214 -0.0040 0.0018  -0.0027 209 PHE   A HD1  
3349 H  HD2  . PHE   A 209 ? 0.1091 0.1121 0.1087 -0.0045 -0.0051 -0.0054 209 PHE   A HD2  
3350 H  HE1  . PHE   A 209 ? 0.1224 0.1301 0.1274 -0.0019 -0.0058 -0.0060 209 PHE   A HE1  
3351 H  HE2  . PHE   A 209 ? 0.1177 0.1172 0.1131 -0.0021 -0.0007 -0.0018 209 PHE   A HE2  
3352 H  HZ   . PHE   A 209 ? 0.1278 0.1222 0.1206 -0.0010 -0.0078 -0.0041 209 PHE   A HZ   
3353 N  N    . THR   A 210 ? 0.1150 0.1027 0.1183 -0.0143 -0.0023 0.0093  210 THR   A N    
3354 C  CA   . THR   A 210 ? 0.1060 0.0968 0.1254 -0.0155 0.0090  0.0103  210 THR   A CA   
3355 C  C    . THR   A 210 ? 0.1244 0.1077 0.1182 -0.0133 -0.0044 -0.0018 210 THR   A C    
3356 O  O    . THR   A 210 ? 0.1428 0.1218 0.1308 -0.0025 0.0115  0.0002  210 THR   A O    
3357 C  CB   . THR   A 210 ? 0.1135 0.1185 0.1406 -0.0071 -0.0120 0.0107  210 THR   A CB   
3358 O  OG1  . THR   A 210 ? 0.1287 0.1280 0.1262 -0.0179 -0.0023 0.0129  210 THR   A OG1  
3359 C  CG2  . THR   A 210 ? 0.1226 0.1313 0.1535 0.0065  -0.0051 0.0146  210 THR   A CG2  
3360 H  H    . THR   A 210 ? 0.1090 0.1046 0.1164 -0.0131 -0.0004 0.0065  210 THR   A H    
3361 H  HA   . THR   A 210 ? 0.1150 0.1009 0.1062 -0.0157 0.0047  0.0126  210 THR   A HA   
3362 H  HB   . THR   A 210 ? 0.1199 0.1211 0.1296 -0.0027 -0.0066 0.0060  210 THR   A HB   
3363 H  HG1  . THR   A 210 ? 0.1265 0.1265 0.1265 0.0000  0.0000  0.0000  210 THR   A HG1  
3364 H  HG21 . THR   A 210 ? 0.1298 0.1346 0.1414 -0.0041 -0.0043 0.0072  210 THR   A HG21 
3365 H  HG22 . THR   A 210 ? 0.1306 0.1326 0.1418 0.0043  -0.0030 0.0104  210 THR   A HG22 
3366 H  HG23 . THR   A 210 ? 0.1262 0.1301 0.1368 0.0024  -0.0077 0.0057  210 THR   A HG23 
3367 N  N    . ARG   A 211 ? 0.1381 0.1130 0.1353 -0.0019 0.0070  0.0136  211 ARG   A N    
3368 C  CA   . ARG   A 211 ? 0.1602 0.1277 0.1381 0.0012  -0.0026 0.0084  211 ARG   A CA   
3369 C  C    . ARG   A 211 ? 0.1615 0.1326 0.1467 0.0124  0.0151  -0.0101 211 ARG   A C    
3370 O  O    . ARG   A 211 ? 0.1646 0.1538 0.1764 0.0075  0.0016  0.0122  211 ARG   A O    
3371 C  CB   . ARG   A 211 ? 0.1449 0.1470 0.1636 -0.0135 0.0220  0.0126  211 ARG   A CB   
3372 C  CG   . ARG   A 211 ? 0.1703 0.1486 0.1845 0.0048  0.0135  0.0032  211 ARG   A CG   
3373 C  CD   . ARG   A 211 ? 0.1977 0.1587 0.1810 -0.0153 0.0111  0.0033  211 ARG   A CD   
3374 N  NE   . ARG   A 211 ? 0.1863 0.1438 0.1813 -0.0082 0.0273  -0.0231 211 ARG   A NE   
3375 C  CZ   . ARG   A 211 ? 0.1833 0.1489 0.1802 -0.0060 0.0157  -0.0214 211 ARG   A CZ   
3376 N  NH1  . ARG   A 211 ? 0.1840 0.1532 0.1830 -0.0262 0.0192  -0.0305 211 ARG   A NH1  
3377 N  NH2  . ARG   A 211 ? 0.1907 0.1764 0.1934 -0.0162 0.0294  -0.0355 211 ARG   A NH2  
3378 H  H    . ARG   A 211 ? 0.1345 0.1187 0.1249 -0.0051 0.0015  0.0059  211 ARG   A H    
3379 H  HA   . ARG   A 211 ? 0.1495 0.1298 0.1371 0.0011  0.0028  0.0083  211 ARG   A HA   
3380 H  HB2  . ARG   A 211 ? 0.1512 0.1458 0.1592 -0.0039 0.0084  0.0070  211 ARG   A HB2  
3381 H  HB3  . ARG   A 211 ? 0.1539 0.1472 0.1595 -0.0054 0.0119  0.0023  211 ARG   A HB3  
3382 H  HG2  . ARG   A 211 ? 0.1679 0.1538 0.1732 -0.0043 0.0131  0.0032  211 ARG   A HG2  
3383 H  HG3  . ARG   A 211 ? 0.1704 0.1566 0.1754 -0.0061 0.0158  0.0006  211 ARG   A HG3  
3384 H  HD2  . ARG   A 211 ? 0.1836 0.1600 0.1781 -0.0074 0.0115  -0.0019 211 ARG   A HD2  
3385 H  HD3  . ARG   A 211 ? 0.1860 0.1681 0.1808 -0.0068 0.0061  0.0032  211 ARG   A HD3  
3386 H  HE   . ARG   A 211 ? 0.1692 0.1543 0.1641 -0.0055 0.0084  -0.0132 211 ARG   A HE   
3387 H  HH11 . ARG   A 211 ? 0.1800 0.1566 0.1798 -0.0118 0.0134  -0.0200 211 ARG   A HH11 
3388 H  HH12 . ARG   A 211 ? 0.1843 0.1563 0.1807 -0.0130 0.0137  -0.0209 211 ARG   A HH12 
3389 H  HH21 . ARG   A 211 ? 0.1747 0.1693 0.1735 -0.0074 0.0077  -0.0221 211 ARG   A HH21 
3390 H  HH22 . ARG   A 211 ? 0.1903 0.1703 0.1928 -0.0056 0.0201  -0.0223 211 ARG   A HH22 
3391 N  N    . ILE   A 212 ? 0.1623 0.1301 0.1480 0.0175  0.0117  0.0014  212 ILE   A N    
3392 C  CA   . ILE   A 212 ? 0.1689 0.1493 0.1890 0.0091  0.0186  0.0022  212 ILE   A CA   
3393 C  C    . ILE   A 212 ? 0.1771 0.1649 0.1826 0.0116  0.0104  0.0168  212 ILE   A C    
3394 O  O    . ILE   A 212 ? 0.1814 0.1608 0.2176 0.0235  0.0069  0.0236  212 ILE   A O    
3395 C  CB   . ILE   A 212 ? 0.1842 0.1429 0.1820 -0.0035 0.0073  -0.0002 212 ILE   A CB   
3396 C  CG1  . ILE   A 212 ? 0.1756 0.1541 0.1690 0.0058  -0.0082 -0.0018 212 ILE   A CG1  
3397 C  CG2  . ILE   A 212 ? 0.1962 0.1709 0.2180 0.0009  0.0041  0.0163  212 ILE   A CG2  
3398 C  CD1  . ILE   A 212 ? 0.1606 0.1661 0.1782 -0.0043 0.0031  0.0002  212 ILE   A CD1  
3399 H  H    . ILE   A 212 ? 0.1615 0.1411 0.1520 0.0100  0.0051  0.0036  212 ILE   A H    
3400 H  HA   . ILE   A 212 ? 0.1707 0.1601 0.1800 0.0089  0.0115  0.0055  212 ILE   A HA   
3401 H  HB   . ILE   A 212 ? 0.1810 0.1578 0.1759 0.0029  0.0050  0.0021  212 ILE   A HB   
3402 H  HG12 . ILE   A 212 ? 0.1727 0.1580 0.1678 0.0000  -0.0025 -0.0016 212 ILE   A HG12 
3403 H  HG13 . ILE   A 212 ? 0.1745 0.1568 0.1704 0.0017  -0.0011 -0.0006 212 ILE   A HG13 
3404 H  HG21 . ILE   A 212 ? 0.1883 0.1784 0.1971 0.0033  0.0048  0.0066  212 ILE   A HG21 
3405 H  HG22 . ILE   A 212 ? 0.1918 0.1779 0.1899 -0.0006 0.0019  0.0027  212 ILE   A HG22 
3406 H  HG23 . ILE   A 212 ? 0.1942 0.1762 0.2061 0.0058  0.0104  0.0151  212 ILE   A HG23 
3407 H  HD11 . ILE   A 212 ? 0.1678 0.1688 0.1749 -0.0008 -0.0001 0.0023  212 ILE   A HD11 
3408 H  HD12 . ILE   A 212 ? 0.1673 0.1699 0.1747 0.0004  -0.0003 0.0001  212 ILE   A HD12 
3409 H  HD13 . ILE   A 212 ? 0.1648 0.1671 0.1762 -0.0045 -0.0028 0.0006  212 ILE   A HD13 
3410 N  N    . SER   A 213 ? 0.1864 0.1549 0.2329 0.0189  0.0186  0.0157  213 SER   A N    
3411 C  CA   . SER   A 213 ? 0.1901 0.1690 0.2178 0.0397  0.0109  0.0236  213 SER   A CA   
3412 C  C    . SER   A 213 ? 0.1861 0.1997 0.2078 0.0006  0.0130  0.0219  213 SER   A C    
3413 O  O    . SER   A 213 ? 0.2207 0.1901 0.2908 0.0360  0.0102  0.0502  213 SER   A O    
3414 C  CB   . SER   A 213 ? 0.2034 0.1882 0.2265 0.0218  0.0239  0.0110  213 SER   A CB   
3415 O  OG   . SER   A 213 ? 0.2025 0.1667 0.2452 0.0413  0.0254  0.0012  213 SER   A OG   
3416 H  H    . SER   A 213 ? 0.2016 0.1667 0.2122 0.0169  0.0135  0.0129  213 SER   A H    
3417 H  HA   . SER   A 213 ? 0.1964 0.1847 0.2169 0.0173  0.0089  0.0165  213 SER   A HA   
3418 H  HB2  . SER   A 213 ? 0.1913 0.1876 0.2219 0.0149  0.0158  0.0086  213 SER   A HB2  
3419 H  HB3  . SER   A 213 ? 0.1989 0.1910 0.2141 0.0218  0.0165  0.0006  213 SER   A HB3  
3420 H  HG   . SER   A 213 ? 0.2073 0.2073 0.2073 0.0000  0.0000  0.0000  213 SER   A HG   
3421 N  N    . HIS   A 214 ? 0.2050 0.1559 0.2123 0.0234  0.0174  0.0007  214 HIS   A N    
3422 C  CA   . HIS   A 214 ? 0.2275 0.1704 0.2150 0.0303  0.0075  0.0131  214 HIS   A CA   
3423 C  C    . HIS   A 214 ? 0.2358 0.1757 0.2369 0.0130  -0.0033 0.0261  214 HIS   A C    
3424 O  O    . HIS   A 214 ? 0.2409 0.1784 0.2354 0.0143  0.0105  0.0291  214 HIS   A O    
3425 C  CB   . HIS   A 214 ? 0.2187 0.2045 0.2298 0.0112  0.0015  0.0204  214 HIS   A CB   
3426 C  CG   . HIS   A 214 ? 0.2551 0.2125 0.2403 0.0104  0.0250  0.0294  214 HIS   A CG   
3427 N  ND1  . HIS   A 214 ? 0.2900 0.2118 0.2835 0.0189  0.0122  0.0080  214 HIS   A ND1  
3428 C  CD2  . HIS   A 214 ? 0.3078 0.2283 0.2539 0.0346  0.0074  0.0257  214 HIS   A CD2  
3429 C  CE1  . HIS   A 214 ? 0.2880 0.2716 0.2689 0.0174  -0.0062 0.0420  214 HIS   A CE1  
3430 N  NE2  . HIS   A 214 ? 0.3405 0.2558 0.2782 0.0352  0.0066  0.0581  214 HIS   A NE2  
3431 H  H    . HIS   A 214 ? 0.1948 0.1822 0.2107 0.0104  0.0066  0.0111  214 HIS   A H    
3432 H  HA   . HIS   A 214 ? 0.2170 0.1782 0.2177 0.0339  0.0052  0.0075  214 HIS   A HA   
3433 H  HB2  . HIS   A 214 ? 0.2276 0.2085 0.2280 0.0090  0.0013  0.0103  214 HIS   A HB2  
3434 H  HB3  . HIS   A 214 ? 0.2265 0.2126 0.2265 0.0148  0.0070  0.0070  214 HIS   A HB3  
3435 H  HD1  . HIS   A 214 ? 0.2761 0.2476 0.2610 0.0129  0.0065  0.0064  214 HIS   A HD1  
3436 H  HD2  . HIS   A 214 ? 0.2813 0.2499 0.2490 0.0118  0.0075  0.0141  214 HIS   A HD2  
3437 H  HE1  . HIS   A 214 ? 0.2956 0.2515 0.2680 0.0088  -0.0036 0.0124  214 HIS   A HE1  
3438 H  HE2  . HIS   A 214 ? 0.3091 0.2556 0.2782 0.0221  0.0044  0.0377  214 HIS   A HE2  
3439 N  N    . TYR   A 215 ? 0.2043 0.1580 0.1975 0.0210  0.0059  0.0225  215 TYR   A N    
3440 C  CA   . TYR   A 215 ? 0.2005 0.1578 0.1985 0.0392  0.0015  0.0179  215 TYR   A CA   
3441 C  C    . TYR   A 215 ? 0.1972 0.1532 0.1995 0.0283  -0.0015 0.0230  215 TYR   A C    
3442 O  O    . TYR   A 215 ? 0.1945 0.1492 0.2414 0.0304  -0.0020 0.0250  215 TYR   A O    
3443 C  CB   . TYR   A 215 ? 0.1803 0.1464 0.2092 0.0239  0.0119  0.0255  215 TYR   A CB   
3444 C  CG   . TYR   A 215 ? 0.1816 0.1308 0.1828 0.0125  0.0094  0.0137  215 TYR   A CG   
3445 C  CD1  . TYR   A 215 ? 0.1752 0.1582 0.1789 -0.0020 -0.0144 0.0284  215 TYR   A CD1  
3446 C  CD2  . TYR   A 215 ? 0.1926 0.1424 0.1785 0.0173  -0.0018 0.0154  215 TYR   A CD2  
3447 C  CE1  . TYR   A 215 ? 0.1867 0.1631 0.1811 0.0231  0.0048  0.0295  215 TYR   A CE1  
3448 C  CE2  . TYR   A 215 ? 0.1707 0.1378 0.1693 0.0355  -0.0162 0.0270  215 TYR   A CE2  
3449 C  CZ   . TYR   A 215 ? 0.1666 0.1373 0.1739 0.0239  0.0157  0.0204  215 TYR   A CZ   
3450 O  OH   . TYR   A 215 ? 0.1707 0.1641 0.1940 0.0126  0.0157  0.0384  215 TYR   A OH   
3451 H  H    . TYR   A 215 ? 0.2013 0.1704 0.1870 0.0181  0.0044  0.0141  215 TYR   A H    
3452 H  HA   . TYR   A 215 ? 0.1989 0.1653 0.1889 0.0226  0.0028  0.0106  215 TYR   A HA   
3453 H  HB2  . TYR   A 215 ? 0.1855 0.1607 0.1879 0.0166  0.0102  0.0069  215 TYR   A HB2  
3454 H  HB3  . TYR   A 215 ? 0.1936 0.1733 0.2033 0.0159  0.0052  0.0134  215 TYR   A HB3  
3455 H  HD1  . TYR   A 215 ? 0.1686 0.1571 0.1725 0.0057  -0.0054 0.0213  215 TYR   A HD1  
3456 H  HD2  . TYR   A 215 ? 0.1811 0.1438 0.1768 0.0174  -0.0018 0.0132  215 TYR   A HD2  
3457 H  HE1  . TYR   A 215 ? 0.1772 0.1584 0.1792 0.0135  0.0042  0.0203  215 TYR   A HE1  
3458 H  HE2  . TYR   A 215 ? 0.1626 0.1421 0.1677 0.0244  -0.0062 0.0185  215 TYR   A HE2  
3459 H  HH   . TYR   A 215 ? 0.1792 0.1792 0.1792 0.0000  0.0000  0.0000  215 TYR   A HH   
3460 N  N    . ARG   A 216 ? 0.2028 0.1749 0.2252 -0.0032 0.0176  0.0079  216 ARG   A N    
3461 C  CA   . ARG   A 216 ? 0.1976 0.2078 0.2337 -0.0001 0.0189  0.0146  216 ARG   A CA   
3462 C  C    . ARG   A 216 ? 0.2134 0.1955 0.2461 0.0283  0.0154  0.0134  216 ARG   A C    
3463 O  O    . ARG   A 216 ? 0.2084 0.1638 0.2727 0.0430  0.0191  0.0289  216 ARG   A O    
3464 C  CB   . ARG   A 216 ? 0.2190 0.2205 0.2380 0.0054  0.0154  0.0072  216 ARG   A CB   
3465 C  CG   . ARG   A 216 ? 0.2458 0.2782 0.2499 0.0075  0.0025  0.0005  216 ARG   A CG   
3466 C  CD   . ARG   A 216 ? 0.2412 0.2760 0.2711 0.0347  0.0033  0.0253  216 ARG   A CD   
3467 N  NE   . ARG   A 216 ? 0.2671 0.2606 0.2899 0.0579  0.0239  0.0246  216 ARG   A NE   
3468 C  CZ   . ARG   A 216 ? 0.2654 0.2701 0.2815 0.0059  0.0258  0.0187  216 ARG   A CZ   
3469 N  NH1  . ARG   A 216 ? 0.2680 0.2432 0.2968 0.0391  0.0216  -0.0208 216 ARG   A NH1  
3470 N  NH2  . ARG   A 216 ? 0.2757 0.3274 0.3580 0.0643  0.0144  -0.0042 216 ARG   A NH2  
3471 H  H    . ARG   A 216 ? 0.2069 0.1945 0.2163 0.0022  0.0026  0.0049  216 ARG   A H    
3472 H  HA   . ARG   A 216 ? 0.2091 0.2082 0.2317 0.0008  0.0129  0.0121  216 ARG   A HA   
3473 H  HB2  . ARG   A 216 ? 0.2240 0.2262 0.2379 -0.0022 0.0098  0.0061  216 ARG   A HB2  
3474 H  HB3  . ARG   A 216 ? 0.2207 0.2302 0.2356 0.0058  0.0132  0.0062  216 ARG   A HB3  
3475 H  HG2  . ARG   A 216 ? 0.2453 0.2493 0.2451 0.0055  0.0016  0.0064  216 ARG   A HG2  
3476 H  HG3  . ARG   A 216 ? 0.2412 0.2597 0.2540 0.0100  0.0026  0.0050  216 ARG   A HG3  
3477 H  HD2  . ARG   A 216 ? 0.2493 0.2797 0.2769 0.0269  0.0044  0.0154  216 ARG   A HD2  
3478 H  HD3  . ARG   A 216 ? 0.2488 0.2695 0.2552 0.0230  0.0004  0.0160  216 ARG   A HD3  
3479 H  HE   . ARG   A 216 ? 0.2845 0.2732 0.2942 0.0346  0.0123  0.0180  216 ARG   A HE   
3480 H  HH11 . ARG   A 216 ? 0.2601 0.2556 0.2795 0.0215  0.0146  -0.0058 216 ARG   A HH11 
3481 H  HH12 . ARG   A 216 ? 0.2680 0.2591 0.2689 0.0195  0.0126  -0.0011 216 ARG   A HH12 
3482 H  HH21 . ARG   A 216 ? 0.3033 0.3100 0.3231 0.0325  0.0116  0.0060  216 ARG   A HH21 
3483 H  HH22 . ARG   A 216 ? 0.2845 0.3174 0.3200 0.0256  0.0060  0.0192  216 ARG   A HH22 
3484 N  N    . PRO   A 217 ? 0.2308 0.1978 0.2492 0.0264  0.0100  0.0125  217 PRO   A N    
3485 C  CA   . PRO   A 217 ? 0.2387 0.1868 0.2535 0.0137  0.0000  0.0117  217 PRO   A CA   
3486 C  C    . PRO   A 217 ? 0.2284 0.2015 0.2563 0.0292  0.0063  0.0031  217 PRO   A C    
3487 O  O    . PRO   A 217 ? 0.2339 0.1720 0.3159 0.0558  -0.0237 0.0318  217 PRO   A O    
3488 C  CB   . PRO   A 217 ? 0.2516 0.1862 0.2761 0.0222  0.0033  0.0254  217 PRO   A CB   
3489 C  CG   . PRO   A 217 ? 0.2661 0.1937 0.2812 0.0278  -0.0060 0.0193  217 PRO   A CG   
3490 C  CD   . PRO   A 217 ? 0.2379 0.2021 0.2653 0.0257  0.0019  0.0147  217 PRO   A CD   
3491 H  HA   . PRO   A 217 ? 0.2341 0.2007 0.2513 0.0093  0.0005  0.0117  217 PRO   A HA   
3492 H  HB2  . PRO   A 217 ? 0.2577 0.2176 0.2584 0.0115  0.0001  0.0202  217 PRO   A HB2  
3493 H  HB3  . PRO   A 217 ? 0.2278 0.2076 0.2588 0.0121  -0.0029 0.0187  217 PRO   A HB3  
3494 H  HG2  . PRO   A 217 ? 0.2526 0.2311 0.2711 0.0106  -0.0089 0.0081  217 PRO   A HG2  
3495 H  HG3  . PRO   A 217 ? 0.2576 0.2304 0.2616 0.0068  0.0001  0.0097  217 PRO   A HG3  
3496 H  HD2  . PRO   A 217 ? 0.2386 0.2136 0.2526 0.0146  0.0045  0.0125  217 PRO   A HD2  
3497 H  HD3  . PRO   A 217 ? 0.2455 0.2216 0.2566 0.0190  0.0067  0.0161  217 PRO   A HD3  
3498 N  N    . TRP   A 218 ? 0.2166 0.1739 0.2512 0.0278  0.0010  0.0283  218 TRP   A N    
3499 C  CA   . TRP   A 218 ? 0.2154 0.2066 0.2147 0.0057  -0.0082 0.0232  218 TRP   A CA   
3500 C  C    . TRP   A 218 ? 0.2120 0.1785 0.2316 0.0260  -0.0085 0.0144  218 TRP   A C    
3501 O  O    . TRP   A 218 ? 0.2066 0.1672 0.2513 0.0406  -0.0125 0.0283  218 TRP   A O    
3502 C  CB   . TRP   A 218 ? 0.2219 0.1807 0.2105 -0.0025 0.0004  0.0185  218 TRP   A CB   
3503 C  CG   . TRP   A 218 ? 0.2385 0.1917 0.2300 -0.0071 -0.0109 0.0045  218 TRP   A CG   
3504 C  CD1  . TRP   A 218 ? 0.2710 0.2251 0.2213 0.0030  -0.0187 0.0246  218 TRP   A CD1  
3505 C  CD2  . TRP   A 218 ? 0.1449 0.1895 0.2083 -0.0050 0.0105  -0.0063 218 TRP   A CD2  
3506 N  NE1  . TRP   A 218 ? 0.2516 0.2384 0.2328 -0.0027 0.0051  0.0000  218 TRP   A NE1  
3507 C  CE2  . TRP   A 218 ? 0.1939 0.2142 0.2177 -0.0138 0.0036  -0.0095 218 TRP   A CE2  
3508 C  CE3  . TRP   A 218 ? 0.1810 0.1715 0.2157 -0.0097 0.0040  -0.0002 218 TRP   A CE3  
3509 C  CZ2  . TRP   A 218 ? 0.1868 0.2205 0.2047 -0.0024 0.0132  0.0000  218 TRP   A CZ2  
3510 C  CZ3  . TRP   A 218 ? 0.1625 0.1724 0.1995 0.0016  -0.0068 0.0139  218 TRP   A CZ3  
3511 C  CH2  . TRP   A 218 ? 0.1668 0.1722 0.2027 0.0074  0.0147  0.0001  218 TRP   A CH2  
3512 H  H    . TRP   A 218 ? 0.2237 0.1955 0.2366 0.0136  0.0014  0.0168  218 TRP   A H    
3513 H  HA   . TRP   A 218 ? 0.2097 0.1954 0.2085 0.0111  -0.0013 0.0152  218 TRP   A HA   
3514 H  HB2  . TRP   A 218 ? 0.2198 0.1883 0.1996 -0.0123 -0.0012 0.0154  218 TRP   A HB2  
3515 H  HB3  . TRP   A 218 ? 0.2149 0.1946 0.2087 -0.0028 0.0011  0.0109  218 TRP   A HB3  
3516 H  HD1  . TRP   A 218 ? 0.2486 0.2065 0.2139 0.0081  -0.0085 0.0092  218 TRP   A HD1  
3517 H  HE1  . TRP   A 218 ? 0.2393 0.2280 0.2293 -0.0011 0.0049  0.0062  218 TRP   A HE1  
3518 H  HE3  . TRP   A 218 ? 0.1715 0.1884 0.2009 -0.0029 0.0038  0.0023  218 TRP   A HE3  
3519 H  HZ2  . TRP   A 218 ? 0.1839 0.2087 0.2066 0.0009  0.0118  0.0000  218 TRP   A HZ2  
3520 H  HZ3  . TRP   A 218 ? 0.1736 0.1785 0.1818 0.0012  0.0000  0.0070  218 TRP   A HZ3  
3521 H  HH2  . TRP   A 218 ? 0.1679 0.1758 0.1936 0.0104  0.0076  0.0032  218 TRP   A HH2  
3522 N  N    . ILE   A 219 ? 0.1800 0.1762 0.2263 0.0044  0.0133  0.0160  219 ILE   A N    
3523 C  CA   . ILE   A 219 ? 0.1964 0.1760 0.2254 -0.0020 0.0163  0.0175  219 ILE   A CA   
3524 C  C    . ILE   A 219 ? 0.2015 0.1944 0.2517 0.0152  0.0116  0.0007  219 ILE   A C    
3525 O  O    . ILE   A 219 ? 0.1861 0.1667 0.2842 0.0195  0.0049  0.0342  219 ILE   A O    
3526 C  CB   . ILE   A 219 ? 0.1612 0.1655 0.2154 0.0105  0.0252  -0.0011 219 ILE   A CB   
3527 C  CG1  . ILE   A 219 ? 0.1735 0.1800 0.2298 0.0304  0.0331  -0.0036 219 ILE   A CG1  
3528 C  CG2  . ILE   A 219 ? 0.1857 0.1927 0.2131 0.0150  0.0336  0.0210  219 ILE   A CG2  
3529 C  CD1  . ILE   A 219 ? 0.1910 0.1863 0.2385 0.0112  0.0291  -0.0010 219 ILE   A CD1  
3530 H  H    . ILE   A 219 ? 0.1981 0.1861 0.2188 0.0048  0.0031  0.0070  219 ILE   A H    
3531 H  HA   . ILE   A 219 ? 0.1894 0.1958 0.2196 0.0034  0.0145  0.0034  219 ILE   A HA   
3532 H  HB   . ILE   A 219 ? 0.1773 0.1786 0.2034 0.0100  0.0225  -0.0071 219 ILE   A HB   
3533 H  HG12 . ILE   A 219 ? 0.1800 0.1854 0.2169 0.0157  0.0235  -0.0077 219 ILE   A HG12 
3534 H  HG13 . ILE   A 219 ? 0.1838 0.1855 0.2076 0.0127  0.0145  -0.0084 219 ILE   A HG13 
3535 H  HG21 . ILE   A 219 ? 0.1851 0.1858 0.2088 0.0125  0.0232  0.0088  219 ILE   A HG21 
3536 H  HG22 . ILE   A 219 ? 0.1951 0.1909 0.2133 0.0063  0.0192  0.0098  219 ILE   A HG22 
3537 H  HG23 . ILE   A 219 ? 0.1857 0.2058 0.2143 0.0115  0.0220  0.0102  219 ILE   A HG23 
3538 H  HD11 . ILE   A 219 ? 0.1912 0.1920 0.2202 0.0114  0.0218  -0.0065 219 ILE   A HD11 
3539 H  HD12 . ILE   A 219 ? 0.1913 0.1881 0.2208 0.0115  0.0207  -0.0026 219 ILE   A HD12 
3540 H  HD13 . ILE   A 219 ? 0.1934 0.1939 0.2098 0.0094  0.0166  -0.0091 219 ILE   A HD13 
3541 N  N    . ASN   A 220 ? 0.2060 0.1838 0.2699 0.0016  0.0120  -0.0011 220 ASN   A N    
3542 C  CA   A ASN   A 220 ? 0.2101 0.2530 0.2745 0.0120  0.0075  0.0095  220 ASN   A CA   
3543 C  CA   B ASN   A 220 ? 0.2099 0.2433 0.2708 0.0117  0.0091  0.0086  220 ASN   A CA   
3544 C  C    . ASN   A 220 ? 0.2400 0.2062 0.2659 0.0197  0.0034  0.0015  220 ASN   A C    
3545 O  O    . ASN   A 220 ? 0.2177 0.1846 0.3149 0.0368  -0.0031 0.0316  220 ASN   A O    
3546 C  CB   A ASN   A 220 ? 0.2615 0.2622 0.2967 0.0161  0.0206  0.0024  220 ASN   A CB   
3547 C  CB   B ASN   A 220 ? 0.2371 0.2489 0.2661 0.0231  0.0095  0.0083  220 ASN   A CB   
3548 C  CG   A ASN   A 220 ? 0.3096 0.3143 0.3036 0.0144  0.0049  0.0015  220 ASN   A CG   
3549 C  CG   B ASN   A 220 ? 0.2449 0.2686 0.2930 0.0348  0.0181  0.0050  220 ASN   A CG   
3550 O  OD1  A ASN   A 220 ? 0.4067 0.3691 0.4060 -0.0047 0.0112  0.0563  220 ASN   A OD1  
3551 O  OD1  B ASN   A 220 ? 0.2481 0.2881 0.2620 0.0823  0.0302  -0.0173 220 ASN   A OD1  
3552 N  ND2  A ASN   A 220 ? 0.3379 0.3131 0.3163 0.0221  -0.0162 0.0048  220 ASN   A ND2  
3553 N  ND2  B ASN   A 220 ? 0.2737 0.2685 0.3146 0.0307  0.0300  0.0242  220 ASN   A ND2  
3554 H  H    . ASN   A 220 ? 0.2093 0.2111 0.2581 -0.0072 0.0033  -0.0028 220 ASN   A H    
3555 H  HA   A ASN   A 220 ? 0.2309 0.2398 0.2589 0.0064  0.0041  -0.0008 220 ASN   A HA   
3556 H  HA   B ASN   A 220 ? 0.2267 0.2348 0.2536 0.0062  0.0034  -0.0002 220 ASN   A HA   
3557 H  HB2  A ASN   A 220 ? 0.2615 0.2667 0.2788 0.0044  0.0053  -0.0010 220 ASN   A HB2  
3558 H  HB2  B ASN   A 220 ? 0.2452 0.2523 0.2614 0.0152  0.0081  0.0060  220 ASN   A HB2  
3559 H  HB3  A ASN   A 220 ? 0.2614 0.2663 0.2823 0.0081  0.0070  0.0036  220 ASN   A HB3  
3560 H  HB3  B ASN   A 220 ? 0.2406 0.2521 0.2599 0.0090  0.0040  0.0005  220 ASN   A HB3  
3561 H  HD21 A ASN   A 220 ? 0.3271 0.3082 0.3049 0.0146  0.0015  0.0065  220 ASN   A HD21 
3562 H  HD21 B ASN   A 220 ? 0.2593 0.2631 0.2914 0.0120  0.0174  0.0144  220 ASN   A HD21 
3563 H  HD22 A ASN   A 220 ? 0.3253 0.3048 0.3065 0.0140  -0.0071 -0.0041 220 ASN   A HD22 
3564 H  HD22 B ASN   A 220 ? 0.2587 0.2633 0.2692 0.0092  0.0051  0.0075  220 ASN   A HD22 
3565 N  N    . GLN   A 221 ? 0.2296 0.1591 0.2826 0.0470  0.0136  0.0121  221 GLN   A N    
3566 C  CA   . GLN   A 221 ? 0.2655 0.2660 0.2996 0.0495  -0.0034 -0.0194 221 GLN   A CA   
3567 C  C    . GLN   A 221 ? 0.2219 0.2337 0.3447 0.0483  -0.0239 0.0307  221 GLN   A C    
3568 O  O    . GLN   A 221 ? 0.2651 0.2246 0.3325 0.0577  -0.0615 0.0480  221 GLN   A O    
3569 C  CB   . GLN   A 221 ? 0.3308 0.3098 0.3462 0.0203  0.0099  0.0222  221 GLN   A CB   
3570 C  CG   . GLN   A 221 ? 0.4380 0.4094 0.3766 0.0130  -0.0195 0.0124  221 GLN   A CG   
3571 C  CD   . GLN   A 221 ? 0.4752 0.4708 0.4811 -0.0197 0.0326  -0.0240 221 GLN   A CD   
3572 O  OE1  . GLN   A 221 ? 0.6360 0.4610 0.6464 -0.0829 0.0858  0.0591  221 GLN   A OE1  
3573 N  NE2  . GLN   A 221 ? 0.4509 0.5168 0.4758 -0.0157 0.0068  -0.0685 221 GLN   A NE2  
3574 H  H    . GLN   A 221 ? 0.2480 0.2131 0.2761 0.0141  0.0060  0.0018  221 GLN   A H    
3575 H  HA   . GLN   A 221 ? 0.2536 0.2372 0.3061 0.0255  -0.0013 0.0009  221 GLN   A HA   
3576 H  HB2  . GLN   A 221 ? 0.3293 0.3215 0.3325 0.0156  0.0006  0.0057  221 GLN   A HB2  
3577 H  HB3  . GLN   A 221 ? 0.3176 0.3100 0.3291 0.0076  0.0004  0.0066  221 GLN   A HB3  
3578 H  HG2  . GLN   A 221 ? 0.4070 0.3964 0.3896 0.0172  0.0034  0.0125  221 GLN   A HG2  
3579 H  HG3  . GLN   A 221 ? 0.4000 0.3909 0.3872 -0.0044 0.0041  0.0031  221 GLN   A HG3  
3580 H  HE21 . GLN   A 221 ? 0.4539 0.4854 0.4652 0.0085  -0.0012 -0.0411 221 GLN   A HE21 
3581 H  HE22 . GLN   A 221 ? 0.4659 0.4623 0.4581 0.0153  0.0082  -0.0352 221 GLN   A HE22 
3582 N  N    . ILE   A 222 ? 0.2169 0.2044 0.2868 0.0302  -0.0406 0.0519  222 ILE   A N    
3583 C  CA   . ILE   A 222 ? 0.2065 0.2309 0.2495 0.0311  -0.0359 0.0309  222 ILE   A CA   
3584 C  C    . ILE   A 222 ? 0.2160 0.1710 0.2617 0.0324  -0.0323 0.0278  222 ILE   A C    
3585 O  O    . ILE   A 222 ? 0.1971 0.2267 0.3292 0.0251  -0.0609 0.0463  222 ILE   A O    
3586 C  CB   . ILE   A 222 ? 0.2048 0.1964 0.2346 0.0254  -0.0073 0.0365  222 ILE   A CB   
3587 C  CG1  . ILE   A 222 ? 0.2293 0.2131 0.2546 0.0158  0.0023  0.0505  222 ILE   A CG1  
3588 C  CG2  . ILE   A 222 ? 0.2109 0.2119 0.2304 0.0098  -0.0018 0.0020  222 ILE   A CG2  
3589 C  CD1  . ILE   A 222 ? 0.2710 0.2440 0.2687 0.0029  -0.0072 0.0334  222 ILE   A CD1  
3590 H  H    . ILE   A 222 ? 0.2239 0.2211 0.2631 0.0133  -0.0260 0.0301  222 ILE   A H    
3591 H  HA   . ILE   A 222 ? 0.2192 0.2169 0.2375 0.0250  -0.0200 0.0303  222 ILE   A HA   
3592 H  HB   . ILE   A 222 ? 0.2168 0.2149 0.2338 0.0181  -0.0068 0.0266  222 ILE   A HB   
3593 H  HG12 . ILE   A 222 ? 0.2287 0.2287 0.2488 0.0074  -0.0063 0.0251  222 ILE   A HG12 
3594 H  HG13 . ILE   A 222 ? 0.2221 0.2197 0.2485 0.0123  -0.0018 0.0311  222 ILE   A HG13 
3595 H  HG21 . ILE   A 222 ? 0.2196 0.2147 0.2295 0.0083  -0.0041 0.0072  222 ILE   A HG21 
3596 H  HG22 . ILE   A 222 ? 0.2157 0.2110 0.2296 0.0108  0.0014  0.0071  222 ILE   A HG22 
3597 H  HG23 . ILE   A 222 ? 0.2203 0.2166 0.2275 0.0092  -0.0037 0.0084  222 ILE   A HG23 
3598 H  HD11 . ILE   A 222 ? 0.2522 0.2519 0.2566 0.0042  -0.0044 0.0171  222 ILE   A HD11 
3599 H  HD12 . ILE   A 222 ? 0.2579 0.2505 0.2615 0.0061  -0.0102 0.0216  222 ILE   A HD12 
3600 H  HD13 . ILE   A 222 ? 0.2545 0.2476 0.2581 0.0002  0.0001  0.0201  222 ILE   A HD13 
3601 N  N    . LEU   A 223 ? 0.2042 0.1901 0.2718 0.0399  -0.0093 0.0269  223 LEU   A N    
3602 C  CA   . LEU   A 223 ? 0.2194 0.2241 0.2882 0.0249  -0.0017 0.0391  223 LEU   A CA   
3603 C  C    . LEU   A 223 ? 0.2168 0.2820 0.3761 0.0206  -0.0073 0.0472  223 LEU   A C    
3604 O  O    . LEU   A 223 ? 0.2053 0.2758 0.4634 0.0328  -0.0116 0.0475  223 LEU   A O    
3605 C  CB   . LEU   A 223 ? 0.1921 0.2072 0.2741 -0.0029 0.0384  0.0285  223 LEU   A CB   
3606 C  CG   . LEU   A 223 ? 0.2344 0.2371 0.2763 0.0185  0.0048  0.0124  223 LEU   A CG   
3607 C  CD1  . LEU   A 223 ? 0.2434 0.2371 0.2868 0.0411  0.0331  -0.0197 223 LEU   A CD1  
3608 C  CD2  . LEU   A 223 ? 0.2604 0.2434 0.2675 0.0284  -0.0079 0.0146  223 LEU   A CD2  
3609 H  H    . LEU   A 223 ? 0.2348 0.2165 0.2651 0.0138  -0.0120 0.0232  223 LEU   A H    
3610 H  HA   . LEU   A 223 ? 0.2218 0.2355 0.2926 0.0157  -0.0008 0.0166  223 LEU   A HA   
3611 H  HB2  . LEU   A 223 ? 0.2156 0.2198 0.2605 -0.0107 0.0147  0.0078  223 LEU   A HB2  
3612 H  HB3  . LEU   A 223 ? 0.1931 0.2529 0.2210 -0.0216 0.0295  0.0233  223 LEU   A HB3  
3613 H  HG   . LEU   A 223 ? 0.2436 0.2328 0.2643 0.0086  0.0031  0.0056  223 LEU   A HG   
3614 H  HD11 . LEU   A 223 ? 0.2449 0.2418 0.2711 0.0158  0.0136  -0.0091 223 LEU   A HD11 
3615 H  HD12 . LEU   A 223 ? 0.2433 0.2388 0.2686 0.0121  0.0039  -0.0018 223 LEU   A HD12 
3616 H  HD13 . LEU   A 223 ? 0.2495 0.2426 0.2661 0.0118  0.0073  -0.0087 223 LEU   A HD13 
3617 H  HD21 . LEU   A 223 ? 0.2613 0.2507 0.2671 0.0148  -0.0091 0.0081  223 LEU   A HD21 
3618 H  HD22 . LEU   A 223 ? 0.2429 0.2446 0.2578 0.0158  -0.0062 0.0107  223 LEU   A HD22 
3619 H  HD23 . LEU   A 223 ? 0.2514 0.2480 0.2651 0.0166  -0.0044 0.0134  223 LEU   A HD23 
3620 N  N    . GLN   A 224 ? 0.2168 0.2886 0.4040 0.0576  0.0061  0.0473  224 GLN   A N    
3621 C  CA   . GLN   A 224 ? 0.2519 0.3233 0.4174 0.0818  -0.0242 0.0520  224 GLN   A CA   
3622 C  C    . GLN   A 224 ? 0.3090 0.3016 0.4207 0.0383  -0.0218 0.0407  224 GLN   A C    
3623 O  O    . GLN   A 224 ? 0.2865 0.3454 0.6543 0.1086  -0.0895 0.0540  224 GLN   A O    
3624 C  CB   . GLN   A 224 ? 0.3150 0.3387 0.4626 0.0641  0.0120  0.0160  224 GLN   A CB   
3625 C  CG   . GLN   A 224 ? 0.3751 0.4125 0.4469 0.0678  -0.0245 0.0363  224 GLN   A CG   
3626 C  CD   . GLN   A 224 ? 0.4772 0.5907 0.4615 0.0179  0.0033  0.0106  224 GLN   A CD   
3627 O  OE1  . GLN   A 224 ? 0.4547 0.5897 0.6678 0.0656  0.0063  -0.0451 224 GLN   A OE1  
3628 N  NE2  . GLN   A 224 ? 0.5086 0.6897 0.4641 -0.0198 -0.0158 0.0175  224 GLN   A NE2  
3629 H  H    . GLN   A 224 ? 0.2906 0.2988 0.3805 0.0069  -0.0059 0.0383  224 GLN   A H    
3630 H  HA   . GLN   A 224 ? 0.3192 0.3371 0.3884 0.0400  -0.0151 0.0315  224 GLN   A HA   
3631 H  HB2  . GLN   A 224 ? 0.3573 0.3582 0.4053 0.0304  -0.0080 0.0231  224 GLN   A HB2  
3632 H  HB3  . GLN   A 224 ? 0.3341 0.3539 0.4209 0.0494  -0.0261 0.0300  224 GLN   A HB3  
3633 H  HG2  . GLN   A 224 ? 0.3666 0.4140 0.4226 0.0494  -0.0316 0.0283  224 GLN   A HG2  
3634 H  HG3  . GLN   A 224 ? 0.3889 0.4122 0.4375 0.0412  -0.0117 0.0217  224 GLN   A HG3  
3635 H  HE21 . GLN   A 224 ? 0.5046 0.6836 0.4837 0.0196  -0.0054 0.0070  224 GLN   A HE21 
3636 H  HE22 . GLN   A 224 ? 0.4936 0.6058 0.4688 0.0176  0.0050  0.0143  224 GLN   A HE22 
3637 N  N    . ALA   A 225 ? 0.2943 0.2716 0.4070 0.0840  -0.0563 0.0363  225 ALA   A N    
3638 C  CA   . ALA   A 225 ? 0.2979 0.3313 0.3802 0.0509  -0.0444 0.0525  225 ALA   A CA   
3639 C  C    . ALA   A 225 ? 0.3420 0.3561 0.3734 0.0454  -0.0368 0.0107  225 ALA   A C    
3640 O  O    . ALA   A 225 ? 0.3240 0.3586 0.3851 0.0623  -0.0594 0.0395  225 ALA   A O    
3641 C  CB   . ALA   A 225 ? 0.3488 0.3681 0.3536 0.0420  -0.0358 0.0330  225 ALA   A CB   
3642 H  H    . ALA   A 225 ? 0.3038 0.3053 0.3862 0.0490  -0.0495 0.0340  225 ALA   A H    
3643 H  HA   . ALA   A 225 ? 0.2945 0.3124 0.3808 0.0537  -0.0477 0.0385  225 ALA   A HA   
3644 H  HB1  . ALA   A 225 ? 0.3407 0.3682 0.3655 0.0331  -0.0265 0.0293  225 ALA   A HB1  
3645 H  HB2  . ALA   A 225 ? 0.3393 0.3550 0.3548 0.0275  -0.0249 0.0270  225 ALA   A HB2  
3646 H  HB3  . ALA   A 225 ? 0.3355 0.3471 0.3581 0.0246  -0.0253 0.0277  225 ALA   A HB3  
3647 N  N    . ASN   A 226 ? 0.2536 0.3355 0.4042 0.0419  -0.0571 0.0076  226 ASN   A N    
3648 C  CA   . ASN   A 226 ? 0.2618 0.3356 0.3753 0.0641  0.0144  -0.0192 226 ASN   A CA   
3649 C  C    . ASN   A 226 ? 0.3315 0.3359 0.4042 0.0621  0.0320  0.0117  226 ASN   A C    
3650 O  O    . ASN   A 226 ? 0.2627 0.3307 0.3971 0.0594  -0.0288 0.0144  226 ASN   A O    
3651 C  CB   . ASN   A 226 ? 0.2580 0.3368 0.3127 0.0998  -0.0399 0.0222  226 ASN   A CB   
3652 C  CG   . ASN   A 226 ? 0.2610 0.3090 0.3352 0.0621  -0.0410 0.0215  226 ASN   A CG   
3653 O  OD1  . ASN   A 226 ? 0.2930 0.4002 0.3625 0.0258  -0.0998 0.0064  226 ASN   A OD1  
3654 N  ND2  . ASN   A 226 ? 0.3127 0.3581 0.3248 0.0185  -0.1045 0.0511  226 ASN   A ND2  
3655 O  OXT  . ASN   A 226 ? 0.4602 0.3896 0.5131 0.0740  0.1159  -0.0337 226 ASN   A OXT  
3656 H  H    . ASN   A 226 ? 0.2973 0.3450 0.3612 0.0362  -0.0139 0.0133  226 ASN   A H    
3657 H  HA   . ASN   A 226 ? 0.3101 0.3409 0.3608 0.0458  -0.0005 0.0044  226 ASN   A HA   
3658 H  HB2  . ASN   A 226 ? 0.2920 0.3219 0.3255 0.0377  -0.0204 0.0169  226 ASN   A HB2  
3659 H  HB3  . ASN   A 226 ? 0.2838 0.3339 0.3374 0.0614  -0.0186 0.0121  226 ASN   A HB3  
3660 H  HD21 . ASN   A 226 ? 0.3147 0.3409 0.3523 0.0287  -0.0573 0.0376  226 ASN   A HD21 
3661 H  HD22 . ASN   A 226 ? 0.3009 0.3293 0.3373 0.0285  -0.0598 0.0292  226 ASN   A HD22 
3662 ZN ZN   . ZN    B .   ? 0.1360 0.1369 0.1264 -0.0219 0.0105  0.0164  301 ZN    A ZN   
3663 CL CL   . CL    C .   ? 0.3112 0.3309 0.2435 -0.0343 -0.0231 0.0418  302 CL    A CL   
3664 CL CL   . CL    D .   ? 0.4121 0.2969 0.3222 -0.0629 -0.0093 0.0016  303 CL    A CL   
3665 CL CL   . CL    E .   ? 0.3642 0.5264 0.6148 0.0767  -0.0268 -0.2904 304 CL    A CL   
3666 C  C1   . GOL   F .   ? 0.4770 0.3164 0.4189 -0.0002 0.0322  -0.0287 305 GOL   A C1   
3667 O  O1   . GOL   F .   ? 0.5643 0.4256 0.4654 -0.0020 0.0323  0.0082  305 GOL   A O1   
3668 C  C2   . GOL   F .   ? 0.4180 0.4430 0.4278 -0.0344 0.0484  0.0318  305 GOL   A C2   
3669 O  O2   . GOL   F .   ? 0.4108 0.4826 0.4648 -0.0223 -0.0441 -0.0198 305 GOL   A O2   
3670 C  C3   . GOL   F .   ? 0.3461 0.3551 0.3400 -0.0049 0.0029  -0.0250 305 GOL   A C3   
3671 O  O3   . GOL   F .   ? 0.3756 0.3834 0.4429 0.0439  0.0264  -0.0393 305 GOL   A O3   
3672 H  H11  . GOL   F .   ? 0.3409 0.3459 0.3380 -0.0056 0.0209  -0.0024 305 GOL   A H11  
3673 H  H12  . GOL   F .   ? 0.4095 0.3874 0.3842 0.0001  0.0183  -0.0124 305 GOL   A H12  
3674 H  HO1  . GOL   F .   ? 0.4734 0.4734 0.4734 0.0000  0.0000  0.0000  305 GOL   A HO1  
3675 H  H2   . GOL   F .   ? 0.4152 0.4468 0.4477 -0.0106 0.0162  0.0111  305 GOL   A H2   
3676 H  HO2  . GOL   F .   ? 0.4556 0.4556 0.4556 0.0000  0.0000  0.0000  305 GOL   A HO2  
3677 H  H31  . GOL   F .   ? 0.3791 0.3782 0.3884 0.0091  0.0035  0.0076  305 GOL   A H31  
3678 H  H32  . GOL   F .   ? 0.2947 0.3122 0.3367 -0.0002 0.0095  -0.0077 305 GOL   A H32  
3679 H  HO3  . GOL   F .   ? 0.3843 0.4108 0.4210 0.0143  0.0121  -0.0136 305 GOL   A HO3  
3680 C  C1   . GOL   G .   ? 0.3074 0.3232 0.3844 0.0031  0.0077  0.0393  306 GOL   A C1   
3681 O  O1   . GOL   G .   ? 0.3356 0.2649 0.2896 0.0089  0.0374  -0.0381 306 GOL   A O1   
3682 C  C2   . GOL   G .   ? 0.4205 0.3562 0.4281 -0.0018 -0.0261 -0.0055 306 GOL   A C2   
3683 O  O2   . GOL   G .   ? 0.4756 0.4970 0.4481 0.0620  -0.0106 0.0445  306 GOL   A O2   
3684 C  C3   . GOL   G .   ? 0.3763 0.3721 0.2590 0.0618  -0.0766 -0.0114 306 GOL   A C3   
3685 O  O3   . GOL   G .   ? 0.2432 0.2784 0.2642 0.0012  -0.0323 0.0326  306 GOL   A O3   
3686 H  H11  . GOL   G .   ? 0.3293 0.3254 0.3635 0.0139  0.0087  0.0091  306 GOL   A H11  
3687 H  H12  . GOL   G .   ? 0.3368 0.3223 0.3645 0.0047  -0.0117 0.0090  306 GOL   A H12  
3688 H  HO1  . GOL   G .   ? 0.3195 0.3195 0.3195 0.0000  0.0000  0.0000  306 GOL   A HO1  
3689 H  H2   . GOL   G .   ? 0.4461 0.3607 0.4317 0.0091  -0.0140 -0.0049 306 GOL   A H2   
3690 H  HO2  . GOL   G .   ? 0.3924 0.3924 0.3924 0.0000  0.0000  0.0000  306 GOL   A HO2  
3691 H  H31  . GOL   G .   ? 0.3180 0.3295 0.2996 0.0041  -0.0269 0.0089  306 GOL   A H31  
3692 H  H32  . GOL   G .   ? 0.3436 0.3157 0.3053 0.0242  -0.0403 0.0044  306 GOL   A H32  
3693 H  HO3  . GOL   G .   ? 0.2613 0.2708 0.2594 0.0098  -0.0275 0.0210  306 GOL   A HO3  
3694 C  C4   . A1AO4 H .   ? 0.1597 0.1731 0.1565 -0.0219 -0.0029 -0.0074 307 A1AO4 A C4   
3695 C  C6   . A1AO4 H .   ? 0.1499 0.1499 0.1712 -0.0149 0.0138  -0.0056 307 A1AO4 A C6   
3696 C  C7   . A1AO4 H .   ? 0.1465 0.1566 0.1753 0.0039  0.0099  -0.0100 307 A1AO4 A C7   
3697 C  C10  . A1AO4 H .   ? 0.1695 0.1640 0.1784 0.0004  0.0158  -0.0225 307 A1AO4 A C10  
3698 C  C13  . A1AO4 H .   ? 0.1560 0.1487 0.1806 -0.0189 -0.0086 -0.0020 307 A1AO4 A C13  
3699 C  C15  . A1AO4 H .   ? 0.1513 0.1726 0.1616 -0.0066 0.0201  -0.0023 307 A1AO4 A C15  
3700 C  C20  . A1AO4 H .   ? 0.1496 0.1491 0.1461 0.0016  -0.0050 0.0079  307 A1AO4 A C20  
3701 C  C21  . A1AO4 H .   ? 0.1943 0.1630 0.1647 -0.0007 -0.0001 -0.0181 307 A1AO4 A C21  
3702 C  C24  . A1AO4 H .   ? 0.1449 0.1698 0.2062 -0.0362 0.0110  0.0134  307 A1AO4 A C24  
3703 C  C26  . A1AO4 H .   ? 0.1992 0.1630 0.1803 -0.0033 -0.0029 -0.0152 307 A1AO4 A C26  
3704 C  C28  . A1AO4 H .   ? 0.1927 0.1745 0.1797 0.0117  0.0057  0.0073  307 A1AO4 A C28  
3705 C  C1   . A1AO4 H .   ? 0.1650 0.1636 0.1769 -0.0179 0.0303  -0.0052 307 A1AO4 A C1   
3706 C  C2   . A1AO4 H .   ? 0.1392 0.1420 0.1511 0.0077  0.0134  -0.0111 307 A1AO4 A C2   
3707 C  C3   . A1AO4 H .   ? 0.1918 0.1757 0.2271 0.0011  0.0170  -0.0234 307 A1AO4 A C3   
3708 N  N5   . A1AO4 H .   ? 0.1473 0.1522 0.1482 -0.0051 0.0202  -0.0126 307 A1AO4 A N5   
3709 O  O8   . A1AO4 H .   ? 0.1704 0.1601 0.2050 0.0184  0.0066  -0.0086 307 A1AO4 A O8   
3710 C  C9   . A1AO4 H .   ? 0.1522 0.1388 0.1744 -0.0195 0.0024  -0.0064 307 A1AO4 A C9   
3711 C  C11  . A1AO4 H .   ? 0.1381 0.1325 0.1477 0.0169  0.0000  0.0065  307 A1AO4 A C11  
3712 O  O12  . A1AO4 H .   ? 0.1953 0.2111 0.2407 -0.0006 0.0204  -0.0354 307 A1AO4 A O12  
3713 C  C14  . A1AO4 H .   ? 0.1915 0.1665 0.1810 -0.0190 -0.0053 -0.0045 307 A1AO4 A C14  
3714 C  C16  . A1AO4 H .   ? 0.1699 0.1361 0.1452 0.0162  -0.0076 -0.0032 307 A1AO4 A C16  
3715 O  O17  . A1AO4 H .   ? 0.1490 0.1461 0.1465 -0.0018 0.0182  -0.0088 307 A1AO4 A O17  
3716 C  C18  . A1AO4 H .   ? 0.1592 0.1637 0.1677 -0.0247 -0.0032 0.0034  307 A1AO4 A C18  
3717 C  C19  . A1AO4 H .   ? 0.1689 0.2153 0.2198 -0.0127 0.0444  -0.0101 307 A1AO4 A C19  
3718 F  F22  . A1AO4 H .   ? 0.1893 0.1745 0.1743 -0.0444 -0.0068 -0.0086 307 A1AO4 A F22  
3719 C  C23  . A1AO4 H .   ? 0.1601 0.1898 0.1709 0.0106  0.0023  -0.0023 307 A1AO4 A C23  
3720 C  C25  . A1AO4 H .   ? 0.1969 0.1964 0.1810 -0.0046 0.0152  -0.0107 307 A1AO4 A C25  
3721 C  C27  . A1AO4 H .   ? 0.1657 0.1824 0.1701 -0.0297 -0.0009 -0.0182 307 A1AO4 A C27  
3722 C  C29  . A1AO4 H .   ? 0.2104 0.1753 0.1825 -0.0015 0.0011  -0.0137 307 A1AO4 A C29  
3723 C  C30  . A1AO4 H .   ? 0.2077 0.2151 0.1804 -0.0105 0.0003  -0.0107 307 A1AO4 A C30  
3724 C  C31  . A1AO4 H .   ? 0.2186 0.1849 0.1904 0.0000  0.0026  -0.0338 307 A1AO4 A C31  
3725 C  C32  . A1AO4 H .   ? 0.1563 0.1713 0.1448 -0.0051 0.0062  0.0025  307 A1AO4 A C32  
3726 O  O    . HOH   I .   ? 0.4618 0.2725 0.2965 -0.0651 -0.0271 -0.0521 401 HOH   A O    
3727 O  O    A HOH   I .   ? 0.2848 0.2841 0.1454 -0.0592 -0.0106 0.0977  402 HOH   A O    
3728 O  O    B HOH   I .   ? 0.1517 0.1720 0.1452 -0.0144 0.0009  0.0048  402 HOH   A O    
3729 O  O    . HOH   I .   ? 0.3565 0.4073 0.4046 -0.0483 0.0844  -0.0591 403 HOH   A O    
3730 O  O    . HOH   I .   ? 0.1944 0.1938 0.2217 -0.0279 -0.0007 0.0253  404 HOH   A O    
3731 O  O    . HOH   I .   ? 0.5581 0.4354 0.5900 -0.1866 -0.1570 0.0890  405 HOH   A O    
3732 O  O    A HOH   I .   ? 0.1264 0.1900 0.1726 0.0282  -0.0251 0.0673  406 HOH   A O    
3733 O  O    B HOH   I .   ? 0.1800 0.0885 0.1278 -0.0362 -0.0126 -0.0107 406 HOH   A O    
3734 O  O    C HOH   I .   ? 0.1257 0.1368 0.0888 -0.0251 0.0101  -0.0005 406 HOH   A O    
3735 O  O    . HOH   I .   ? 0.2416 0.2455 0.2495 -0.0069 -0.0265 -0.0184 407 HOH   A O    
3736 O  O    . HOH   I .   ? 0.2692 0.1625 0.2127 0.0295  0.0457  -0.0445 408 HOH   A O    
3737 O  O    . HOH   I .   ? 0.3105 0.3087 0.3085 -0.0577 0.0117  -0.0263 409 HOH   A O    
3738 O  O    . HOH   I .   ? 0.3807 0.2748 0.3195 -0.0358 -0.0169 -0.0604 410 HOH   A O    
3739 O  O    . HOH   I .   ? 0.3919 0.5287 0.4359 -0.1528 0.0340  -0.0338 411 HOH   A O    
3740 O  O    . HOH   I .   ? 0.2391 0.2130 0.2726 -0.0074 -0.0348 -0.0056 412 HOH   A O    
3741 O  O    . HOH   I .   ? 0.4222 0.4939 0.4097 -0.0292 -0.1017 -0.0646 413 HOH   A O    
3742 O  O    . HOH   I .   ? 0.4063 0.3087 0.5095 -0.0137 0.0298  0.1017  414 HOH   A O    
3743 O  O    . HOH   I .   ? 0.5070 0.3709 0.5173 0.0772  0.0636  -0.1206 415 HOH   A O    
3744 O  O    . HOH   I .   ? 0.5406 0.2805 0.3720 -0.1250 -0.0273 0.0837  416 HOH   A O    
3745 O  O    . HOH   I .   ? 0.2559 0.2288 0.2695 0.0143  0.0826  0.0630  417 HOH   A O    
3746 O  O    . HOH   I .   ? 0.1130 0.1163 0.1296 -0.0146 0.0065  0.0065  418 HOH   A O    
3747 O  O    . HOH   I .   ? 0.2698 0.2257 0.3914 0.0189  0.0122  -0.0292 419 HOH   A O    
3748 O  O    . HOH   I .   ? 0.4566 0.3756 0.3485 -0.0503 0.0341  -0.0172 420 HOH   A O    
3749 O  O    . HOH   I .   ? 0.4390 0.2723 0.5205 0.0506  0.1323  -0.0996 421 HOH   A O    
3750 O  O    . HOH   I .   ? 0.3033 0.4970 0.6040 0.0536  -0.0398 0.1628  422 HOH   A O    
3751 O  O    . HOH   I .   ? 0.2842 0.1783 0.3154 0.0101  0.0246  0.0056  423 HOH   A O    
3752 O  O    . HOH   I .   ? 0.6276 0.2338 0.4635 0.0395  0.1991  -0.0502 424 HOH   A O    
3753 O  O    . HOH   I .   ? 0.2882 0.3663 0.3562 0.1310  -0.0303 0.0040  425 HOH   A O    
3754 O  O    . HOH   I .   ? 0.3811 0.5421 0.4692 0.0519  0.0997  0.0840  426 HOH   A O    
3755 O  O    . HOH   I .   ? 0.2731 0.2985 0.1870 -0.0127 0.0290  -0.0758 427 HOH   A O    
3756 O  O    . HOH   I .   ? 0.2673 0.6347 0.4244 -0.0017 -0.0300 -0.0009 428 HOH   A O    
3757 O  O    . HOH   I .   ? 0.3523 0.2554 0.4859 0.1137  -0.0049 -0.0123 429 HOH   A O    
3758 O  O    . HOH   I .   ? 0.1420 0.1348 0.1313 -0.0167 0.0037  0.0212  430 HOH   A O    
3759 O  O    A HOH   I .   ? 0.1522 0.1346 0.1751 -0.0313 -0.0121 0.0454  431 HOH   A O    
3760 O  O    B HOH   I .   ? 0.1966 0.1786 0.2254 -0.0501 -0.0057 0.0454  431 HOH   A O    
3761 O  O    . HOH   I .   ? 0.1487 0.1715 0.1493 0.0012  0.0066  -0.0077 432 HOH   A O    
3762 O  O    . HOH   I .   ? 0.1156 0.1222 0.1219 -0.0211 -0.0081 0.0111  433 HOH   A O    
3763 O  O    . HOH   I .   ? 0.1966 0.2668 0.1761 -0.0138 0.0286  -0.0481 434 HOH   A O    
3764 O  O    . HOH   I .   ? 0.3913 0.3818 0.3526 -0.0486 0.0223  0.0469  435 HOH   A O    
3765 O  O    . HOH   I .   ? 0.4207 0.4459 0.3451 -0.0799 -0.1262 -0.0560 436 HOH   A O    
3766 O  O    . HOH   I .   ? 0.2546 0.4252 0.6090 0.0514  0.0417  -0.0654 437 HOH   A O    
3767 O  O    . HOH   I .   ? 0.1111 0.1196 0.0988 -0.0135 0.0153  -0.0016 438 HOH   A O    
3768 O  O    . HOH   I .   ? 0.4791 0.3406 0.5578 0.1233  -0.2200 -0.0311 439 HOH   A O    
3769 O  O    . HOH   I .   ? 0.3009 0.3158 0.3616 0.0843  0.1062  -0.0072 440 HOH   A O    
3770 O  O    . HOH   I .   ? 0.4124 0.3573 0.5016 -0.0815 0.1329  0.1266  441 HOH   A O    
3771 O  O    . HOH   I .   ? 0.2615 0.2561 0.2837 0.1024  0.0299  0.0495  442 HOH   A O    
3772 O  O    . HOH   I .   ? 0.3423 0.2787 0.5066 0.0693  -0.0487 0.0670  443 HOH   A O    
3773 O  O    . HOH   I .   ? 0.3167 0.3171 0.2884 0.0197  -0.0520 0.0258  444 HOH   A O    
3774 O  O    . HOH   I .   ? 0.1173 0.1275 0.1078 0.0074  0.0224  -0.0073 445 HOH   A O    
3775 O  O    . HOH   I .   ? 0.1667 0.1505 0.1316 -0.0289 0.0037  0.0092  446 HOH   A O    
3776 O  O    . HOH   I .   ? 0.3992 0.2798 0.4227 0.0707  -0.0065 -0.0055 447 HOH   A O    
3777 O  O    . HOH   I .   ? 0.4456 0.4380 0.5614 0.1661  0.1050  0.0513  448 HOH   A O    
3778 O  O    . HOH   I .   ? 0.5138 0.3599 0.3762 0.1892  0.0709  -0.0102 449 HOH   A O    
3779 O  O    . HOH   I .   ? 0.1369 0.1556 0.1523 0.0185  -0.0056 0.0037  450 HOH   A O    
3780 O  O    . HOH   I .   ? 0.3740 0.5256 0.3965 -0.0141 -0.0823 0.0203  451 HOH   A O    
3781 O  O    . HOH   I .   ? 0.5638 0.6675 0.3095 0.0411  0.0430  -0.1178 452 HOH   A O    
3782 O  O    . HOH   I .   ? 0.3316 0.4303 0.3335 0.1144  -0.0477 -0.0942 453 HOH   A O    
3783 O  O    . HOH   I .   ? 0.1358 0.1374 0.1368 -0.0060 -0.0086 -0.0091 454 HOH   A O    
3784 O  O    . HOH   I .   ? 0.1697 0.2010 0.1732 -0.0133 0.0320  -0.0084 455 HOH   A O    
3785 O  O    . HOH   I .   ? 0.5442 0.4084 0.4191 0.1309  -0.0458 0.0468  456 HOH   A O    
3786 O  O    . HOH   I .   ? 0.4274 0.5269 0.3661 -0.0313 -0.1742 -0.0561 457 HOH   A O    
3787 O  O    . HOH   I .   ? 0.3566 0.2796 0.2929 0.0457  0.0492  0.1047  458 HOH   A O    
3788 O  O    . HOH   I .   ? 0.2246 0.2192 0.2625 -0.0081 0.0161  0.0290  459 HOH   A O    
3789 O  O    . HOH   I .   ? 0.4828 0.4494 0.3503 -0.0089 0.0560  0.1271  460 HOH   A O    
3790 O  O    . HOH   I .   ? 0.2609 0.2845 0.3685 -0.0469 0.0738  -0.0116 461 HOH   A O    
3791 O  O    . HOH   I .   ? 0.6212 0.6984 0.3343 -0.1881 -0.0729 -0.1161 462 HOH   A O    
3792 O  O    . HOH   I .   ? 0.3768 0.3207 0.3857 0.0064  -0.0260 -0.0831 463 HOH   A O    
3793 O  O    . HOH   I .   ? 0.2525 0.2496 0.2552 -0.0391 0.0365  0.0075  464 HOH   A O    
3794 O  O    . HOH   I .   ? 0.1978 0.2157 0.2117 -0.0409 -0.0395 -0.0274 465 HOH   A O    
3795 O  O    . HOH   I .   ? 0.1599 0.1455 0.1357 0.0173  0.0185  -0.0209 466 HOH   A O    
3796 O  O    . HOH   I .   ? 0.4225 0.2586 0.3820 0.0529  -0.1677 -0.0843 467 HOH   A O    
3797 O  O    . HOH   I .   ? 0.5759 0.6519 0.2536 -0.0052 -0.0795 0.0111  468 HOH   A O    
3798 O  O    . HOH   I .   ? 0.2522 0.3073 0.2866 -0.0100 -0.0175 0.0924  469 HOH   A O    
3799 O  O    . HOH   I .   ? 0.1543 0.1614 0.1694 -0.0557 0.0090  -0.0058 470 HOH   A O    
3800 O  O    . HOH   I .   ? 0.2841 0.6410 0.5174 0.0269  -0.0175 0.1800  471 HOH   A O    
3801 O  O    . HOH   I .   ? 0.1527 0.1255 0.1227 -0.0118 -0.0011 -0.0034 472 HOH   A O    
3802 O  O    . HOH   I .   ? 0.3371 0.4013 0.3452 0.0537  0.1308  -0.0789 473 HOH   A O    
3803 O  O    . HOH   I .   ? 0.4327 0.3928 0.3585 0.0562  -0.1421 -0.0991 474 HOH   A O    
3804 O  O    . HOH   I .   ? 0.3153 0.2877 0.2340 -0.0287 -0.0403 0.0226  475 HOH   A O    
3805 O  O    . HOH   I .   ? 0.1931 0.1550 0.2091 -0.0070 0.0278  0.0002  476 HOH   A O    
3806 O  O    . HOH   I .   ? 0.1118 0.1459 0.1040 -0.0158 0.0036  0.0088  477 HOH   A O    
3807 O  O    . HOH   I .   ? 0.2524 0.3720 0.5465 0.0112  0.0148  -0.0134 478 HOH   A O    
3808 O  O    . HOH   I .   ? 0.3130 0.4238 0.2573 0.0011  0.0312  -0.0657 479 HOH   A O    
3809 O  O    . HOH   I .   ? 0.3531 0.5107 0.4567 0.0482  -0.0839 0.0140  480 HOH   A O    
3810 O  O    . HOH   I .   ? 0.2325 0.2453 0.2343 0.0266  -0.0122 0.0014  481 HOH   A O    
3811 O  O    . HOH   I .   ? 0.5017 0.4673 0.4689 0.1603  0.0592  0.2139  482 HOH   A O    
3812 O  O    . HOH   I .   ? 0.1773 0.1569 0.1633 -0.0373 0.0261  -0.0160 483 HOH   A O    
3813 O  O    . HOH   I .   ? 0.3843 0.5693 0.5625 0.1315  -0.0402 -0.0531 484 HOH   A O    
3814 O  O    . HOH   I .   ? 0.3968 0.3322 0.4282 0.0714  -0.0680 0.0187  485 HOH   A O    
3815 O  O    . HOH   I .   ? 0.6564 0.5324 0.5460 -0.1132 0.0999  -0.2433 486 HOH   A O    
3816 O  O    . HOH   I .   ? 0.3056 0.4040 0.2523 -0.1203 -0.0176 0.0206  487 HOH   A O    
3817 O  O    . HOH   I .   ? 0.2550 0.2951 0.3106 0.0292  0.0175  -0.0826 488 HOH   A O    
3818 O  O    . HOH   I .   ? 0.3637 0.2760 0.5763 0.1350  -0.1024 0.0601  489 HOH   A O    
3819 O  O    . HOH   I .   ? 0.1920 0.2741 0.2794 0.0552  -0.0501 -0.0720 490 HOH   A O    
3820 O  O    . HOH   I .   ? 0.2710 0.4249 0.2859 0.1031  -0.0516 0.0008  491 HOH   A O    
3821 O  O    . HOH   I .   ? 0.1685 0.2173 0.3233 -0.0258 0.0051  0.0519  492 HOH   A O    
3822 O  O    . HOH   I .   ? 0.1241 0.1359 0.1196 -0.0001 -0.0205 0.0044  493 HOH   A O    
3823 O  O    . HOH   I .   ? 0.2164 0.2180 0.2458 0.0312  -0.0512 0.0090  494 HOH   A O    
3824 O  O    . HOH   I .   ? 0.2622 0.2133 0.2739 -0.0019 -0.0117 -0.0045 495 HOH   A O    
3825 O  O    . HOH   I .   ? 0.2463 0.2426 0.2678 -0.0342 -0.0135 -0.0615 496 HOH   A O    
3826 O  O    . HOH   I .   ? 0.4520 0.4005 0.2706 0.1043  0.0425  -0.0014 497 HOH   A O    
3827 O  O    . HOH   I .   ? 0.3256 0.2353 0.3554 -0.0223 0.0306  0.0562  498 HOH   A O    
3828 O  O    . HOH   I .   ? 0.2211 0.2700 0.2147 0.0337  -0.0243 -0.0429 499 HOH   A O    
3829 O  O    . HOH   I .   ? 0.1626 0.1664 0.1593 0.0008  -0.0084 0.0046  500 HOH   A O    
3830 O  O    . HOH   I .   ? 0.1498 0.1721 0.1220 -0.0096 0.0287  0.0058  501 HOH   A O    
3831 O  O    . HOH   I .   ? 0.4900 0.3199 0.4013 0.1605  0.0432  0.0233  502 HOH   A O    
3832 O  O    . HOH   I .   ? 0.4261 0.3923 0.4220 -0.0659 0.0982  -0.0955 503 HOH   A O    
3833 O  O    . HOH   I .   ? 0.4038 0.2389 0.2520 0.0044  0.0378  -0.0477 504 HOH   A O    
3834 O  O    . HOH   I .   ? 0.1917 0.1740 0.2397 -0.0009 0.0326  -0.0313 505 HOH   A O    
3835 O  O    . HOH   I .   ? 0.3926 0.4038 0.3862 0.0792  0.1373  -0.1300 506 HOH   A O    
3836 O  O    . HOH   I .   ? 0.3683 0.4197 0.3756 0.0795  0.0433  -0.1176 507 HOH   A O    
3837 O  O    . HOH   I .   ? 0.2700 0.2552 0.2733 -0.0766 -0.0015 -0.0196 508 HOH   A O    
3838 O  O    . HOH   I .   ? 0.3143 0.2469 0.3563 0.0118  0.0598  0.0326  509 HOH   A O    
3839 O  O    . HOH   I .   ? 0.4245 0.5944 0.3916 -0.1626 -0.0149 -0.0052 510 HOH   A O    
3840 O  O    . HOH   I .   ? 0.5259 0.5107 0.4842 -0.0525 0.2177  0.0584  511 HOH   A O    
3841 O  O    . HOH   I .   ? 0.4020 0.3168 0.4110 0.0402  0.0545  0.0801  512 HOH   A O    
3842 O  O    . HOH   I .   ? 0.4283 0.4517 0.5869 -0.0284 -0.1599 0.2091  513 HOH   A O    
3843 O  O    . HOH   I .   ? 0.4146 0.4306 0.2962 0.0589  0.1274  0.1434  514 HOH   A O    
3844 O  O    . HOH   I .   ? 0.3031 0.4006 0.3030 0.0415  -0.0630 -0.0006 515 HOH   A O    
3845 O  O    . HOH   I .   ? 0.4801 0.4046 0.4334 0.1160  0.0641  0.0912  516 HOH   A O    
3846 O  O    . HOH   I .   ? 0.2927 0.2502 0.2030 0.0164  0.0597  -0.0117 517 HOH   A O    
3847 O  O    . HOH   I .   ? 0.1751 0.1856 0.1318 0.0126  -0.0051 -0.0025 518 HOH   A O    
3848 O  O    . HOH   I .   ? 0.5017 0.4171 0.7837 -0.1235 0.0146  0.0396  519 HOH   A O    
3849 O  O    . HOH   I .   ? 0.4802 0.3456 0.3195 0.0200  0.0371  -0.0332 520 HOH   A O    
3850 O  O    . HOH   I .   ? 0.3702 0.4425 0.4578 -0.0350 -0.1527 0.0683  521 HOH   A O    
3851 O  O    . HOH   I .   ? 0.1643 0.2085 0.1695 -0.0292 -0.0374 0.0358  522 HOH   A O    
3852 O  O    . HOH   I .   ? 0.2810 0.2702 0.2766 -0.0407 0.0388  -0.0247 523 HOH   A O    
3853 O  O    . HOH   I .   ? 0.2833 0.3026 0.2429 0.0425  0.0261  0.0093  524 HOH   A O    
3854 O  O    . HOH   I .   ? 0.2338 0.2244 0.1807 -0.0425 0.0261  -0.0221 525 HOH   A O    
3855 O  O    . HOH   I .   ? 0.7298 0.7123 0.3230 -0.0052 0.0109  0.0640  526 HOH   A O    
3856 O  O    . HOH   I .   ? 0.1343 0.1488 0.1579 -0.0171 0.0103  0.0029  527 HOH   A O    
3857 O  O    . HOH   I .   ? 0.2358 0.2302 0.2273 0.0250  -0.0220 0.0193  528 HOH   A O    
3858 O  O    . HOH   I .   ? 0.5241 0.2903 0.5233 -0.0118 -0.0436 0.0640  529 HOH   A O    
3859 O  O    . HOH   I .   ? 0.1791 0.3462 0.4212 -0.0620 0.0190  0.0450  530 HOH   A O    
3860 O  O    . HOH   I .   ? 0.2526 0.2497 0.2884 -0.0790 -0.0406 0.0232  531 HOH   A O    
3861 O  O    . HOH   I .   ? 0.2384 0.2156 0.2253 0.0163  0.0247  -0.0325 532 HOH   A O    
3862 O  O    . HOH   I .   ? 0.7394 0.6972 0.8028 0.0943  0.1269  0.0783  533 HOH   A O    
3863 O  O    . HOH   I .   ? 0.2496 0.2445 0.2537 0.0129  0.0318  0.0196  534 HOH   A O    
3864 O  O    . HOH   I .   ? 0.3154 0.5773 0.5724 -0.1442 0.0411  -0.0978 535 HOH   A O    
3865 O  O    . HOH   I .   ? 0.1200 0.1333 0.1023 -0.0161 0.0062  0.0028  536 HOH   A O    
3866 O  O    . HOH   I .   ? 0.3369 0.2747 0.2705 -0.0511 -0.0529 -0.0034 537 HOH   A O    
3867 O  O    . HOH   I .   ? 0.5159 0.5574 0.6219 0.0314  0.2146  -0.1762 538 HOH   A O    
3868 O  O    . HOH   I .   ? 0.4390 0.4873 0.2575 -0.0171 -0.1119 0.0182  539 HOH   A O    
3869 O  O    . HOH   I .   ? 0.2454 0.3221 0.3738 -0.0450 -0.0114 -0.0591 540 HOH   A O    
3870 O  O    . HOH   I .   ? 0.1526 0.1337 0.1866 -0.0185 0.0164  -0.0117 541 HOH   A O    
3871 O  O    . HOH   I .   ? 0.1045 0.1061 0.1020 0.0007  0.0037  -0.0042 542 HOH   A O    
3872 O  O    . HOH   I .   ? 0.1594 0.1557 0.1286 -0.0166 0.0139  -0.0168 543 HOH   A O    
3873 O  O    . HOH   I .   ? 0.1137 0.1155 0.0994 -0.0147 0.0011  0.0007  544 HOH   A O    
3874 O  O    . HOH   I .   ? 0.3927 0.3333 0.4249 0.1062  0.0090  0.0855  545 HOH   A O    
3875 O  O    . HOH   I .   ? 0.2074 0.2322 0.2091 -0.0111 0.0108  0.0278  546 HOH   A O    
3876 O  O    . HOH   I .   ? 0.0772 0.1223 0.1014 -0.0133 0.0078  0.0054  547 HOH   A O    
3877 O  O    . HOH   I .   ? 0.3622 0.3866 0.3773 -0.1221 0.0022  -0.0608 548 HOH   A O    
3878 O  O    . HOH   I .   ? 0.3389 0.3983 0.3875 0.0359  -0.0267 0.0967  549 HOH   A O    
3879 O  O    . HOH   I .   ? 0.3336 0.5233 0.4133 0.0696  0.1072  0.0097  550 HOH   A O    
3880 O  O    . HOH   I .   ? 0.2644 0.2012 0.1928 -0.0174 0.0126  -0.0027 551 HOH   A O    
3881 O  O    . HOH   I .   ? 0.2018 0.2535 0.3005 -0.0484 -0.0060 0.0119  552 HOH   A O    
3882 O  O    . HOH   I .   ? 0.1596 0.1699 0.1487 -0.0148 -0.0179 -0.0148 553 HOH   A O    
3883 O  O    . HOH   I .   ? 0.5214 0.3829 0.4770 -0.1107 0.0024  -0.1248 554 HOH   A O    
3884 O  O    . HOH   I .   ? 0.3670 0.3626 0.4351 0.0521  0.0286  0.0906  555 HOH   A O    
3885 O  O    . HOH   I .   ? 0.3209 0.5072 0.2045 -0.1027 -0.0302 -0.0590 556 HOH   A O    
3886 O  O    . HOH   I .   ? 0.1724 0.1572 0.1515 -0.0265 0.0062  0.0085  557 HOH   A O    
3887 O  O    . HOH   I .   ? 0.0975 0.1136 0.1063 -0.0012 -0.0103 0.0032  558 HOH   A O    
3888 O  O    . HOH   I .   ? 0.5023 0.3892 0.6596 0.0169  -0.0994 0.0727  559 HOH   A O    
3889 O  O    . HOH   I .   ? 0.2260 0.2620 0.2851 0.0081  0.0307  -0.0182 560 HOH   A O    
3890 O  O    . HOH   I .   ? 0.4343 0.6328 0.3248 -0.0420 -0.0048 0.0831  561 HOH   A O    
3891 O  O    . HOH   I .   ? 0.1175 0.1217 0.1072 -0.0129 0.0070  0.0126  562 HOH   A O    
3892 O  O    . HOH   I .   ? 0.3569 0.4035 0.3767 0.0241  0.0814  -0.0661 563 HOH   A O    
3893 O  O    . HOH   I .   ? 0.3198 0.3123 0.5419 0.1202  -0.0025 0.0462  564 HOH   A O    
3894 O  O    . HOH   I .   ? 0.3591 0.4730 0.2933 -0.0785 -0.1201 0.0063  565 HOH   A O    
3895 O  O    . HOH   I .   ? 0.3156 0.4781 0.5673 -0.0303 0.1822  -0.0825 566 HOH   A O    
3896 O  O    . HOH   I .   ? 0.1277 0.1113 0.1503 -0.0151 0.0267  0.0211  567 HOH   A O    
3897 O  O    . HOH   I .   ? 0.2112 0.2103 0.2236 -0.0599 -0.0445 -0.0103 568 HOH   A O    
3898 O  O    . HOH   I .   ? 0.2633 0.4425 0.3685 0.0148  -0.0643 -0.0581 569 HOH   A O    
3899 O  O    . HOH   I .   ? 0.2744 0.1876 0.2567 -0.0906 -0.0281 0.0047  570 HOH   A O    
3900 O  O    . HOH   I .   ? 0.2832 0.2319 0.2243 -0.1111 0.0555  -0.0339 571 HOH   A O    
3901 O  O    . HOH   I .   ? 0.4415 0.3156 0.3090 0.0412  0.0600  -0.0076 572 HOH   A O    
3902 O  O    . HOH   I .   ? 0.2337 0.1938 0.1555 0.0135  -0.0131 -0.0069 573 HOH   A O    
3903 O  O    . HOH   I .   ? 0.2974 0.2861 0.2000 0.0076  0.0085  0.0094  574 HOH   A O    
3904 O  O    . HOH   I .   ? 0.4269 0.2997 0.4573 0.0648  -0.0632 -0.0894 575 HOH   A O    
3905 O  O    . HOH   I .   ? 0.4340 0.2461 0.4209 0.0480  -0.0473 0.0365  576 HOH   A O    
3906 O  O    . HOH   I .   ? 0.4137 0.4776 0.5615 0.0179  -0.0539 -0.0993 577 HOH   A O    
3907 O  O    . HOH   I .   ? 0.5145 0.5555 0.5012 -0.2073 0.0565  -0.1079 578 HOH   A O    
3908 O  O    . HOH   I .   ? 0.3144 0.3492 0.2530 -0.0840 -0.0586 0.0407  579 HOH   A O    
3909 O  O    . HOH   I .   ? 0.3919 0.3613 0.3209 -0.0525 0.0648  0.0025  580 HOH   A O    
3910 O  O    . HOH   I .   ? 0.5412 0.7773 0.4348 -0.1512 0.0313  0.0014  581 HOH   A O    
3911 O  O    . HOH   I .   ? 0.3202 0.3188 0.4030 -0.0125 -0.0692 0.0045  582 HOH   A O    
3912 O  O    . HOH   I .   ? 0.2621 0.3070 0.4113 -0.0796 -0.0477 0.0107  583 HOH   A O    
3913 O  O    . HOH   I .   ? 0.1800 0.2001 0.1880 -0.0060 0.0051  -0.0011 584 HOH   A O    
3914 O  O    . HOH   I .   ? 0.3067 0.2686 0.2016 -0.0031 0.0009  0.0534  585 HOH   A O    
3915 O  O    . HOH   I .   ? 0.3259 0.3788 0.3834 0.0093  0.1089  0.0016  586 HOH   A O    
3916 O  O    . HOH   I .   ? 0.3770 0.4533 0.4276 -0.1006 -0.1219 0.1735  587 HOH   A O    
3917 O  O    . HOH   I .   ? 0.1522 0.1849 0.1446 -0.0549 -0.0046 -0.0072 588 HOH   A O    
3918 O  O    . HOH   I .   ? 0.5867 0.5832 0.7682 -0.1954 0.0263  -0.0883 589 HOH   A O    
3919 O  O    . HOH   I .   ? 0.2558 0.2229 0.2896 0.0182  -0.0176 -0.0478 590 HOH   A O    
3920 O  O    . HOH   I .   ? 0.3398 0.5081 0.4367 -0.0514 -0.0550 0.1190  591 HOH   A O    
3921 O  O    . HOH   I .   ? 0.6628 0.4434 0.4701 -0.2249 0.1653  -0.1747 592 HOH   A O    
3922 O  O    . HOH   I .   ? 0.2875 0.3283 0.3533 -0.0288 -0.0731 0.1468  593 HOH   A O    
3923 O  O    A HOH   I .   ? 0.1548 0.1045 0.1305 -0.0434 0.0157  -0.0067 594 HOH   A O    
3924 O  O    B HOH   I .   ? 0.0755 0.0975 0.0616 -0.0428 0.0069  -0.0414 594 HOH   A O    
3925 O  O    C HOH   I .   ? 0.1493 0.1820 0.1391 -0.0046 0.0029  -0.0246 594 HOH   A O    
3926 O  O    . HOH   I .   ? 0.2535 0.3166 0.2770 -0.0429 0.0425  -0.0320 595 HOH   A O    
3927 O  O    . HOH   I .   ? 0.1691 0.2734 0.2318 0.0312  0.0315  -0.0768 596 HOH   A O    
3928 O  O    . HOH   I .   ? 0.4486 0.5811 0.4561 -0.0394 -0.1618 0.0379  597 HOH   A O    
3929 O  O    . HOH   I .   ? 0.4393 0.5438 0.6048 -0.0187 0.2198  -0.0021 598 HOH   A O    
3930 O  O    . HOH   I .   ? 0.2699 0.1843 0.2463 -0.0045 0.0382  -0.0163 599 HOH   A O    
3931 O  O    . HOH   I .   ? 0.4284 0.5084 0.3326 0.0250  -0.1073 -0.0305 600 HOH   A O    
3932 O  O    . HOH   I .   ? 0.6165 0.4068 0.4925 0.0891  0.0283  -0.1501 601 HOH   A O    
3933 O  O    . HOH   I .   ? 0.3561 0.3217 0.4764 0.0933  0.0300  -0.0873 602 HOH   A O    
3934 O  O    . HOH   I .   ? 0.3299 0.3325 0.2089 0.0114  0.0962  -0.0015 603 HOH   A O    
3935 O  O    . HOH   I .   ? 0.1577 0.1496 0.1439 -0.0279 0.0051  0.0327  604 HOH   A O    
3936 O  O    . HOH   I .   ? 0.3554 0.2733 0.3268 0.0452  0.1100  0.0162  605 HOH   A O    
3937 O  O    . HOH   I .   ? 0.3298 0.3398 0.2999 -0.1218 0.0645  -0.0174 606 HOH   A O    
3938 O  O    . HOH   I .   ? 0.5081 0.4893 0.4828 0.0902  0.1085  -0.0909 607 HOH   A O    
3939 O  O    . HOH   I .   ? 0.4954 0.3418 0.4474 -0.0747 0.1427  -0.0956 608 HOH   A O    
3940 O  O    . HOH   I .   ? 0.3851 0.3571 0.2688 -0.0528 0.1115  -0.0926 609 HOH   A O    
3941 O  O    . HOH   I .   ? 0.2600 0.2960 0.2518 -0.0836 -0.0181 -0.0044 610 HOH   A O    
3942 O  O    . HOH   I .   ? 0.3175 0.2077 0.3245 0.0123  -0.0057 0.0452  611 HOH   A O    
3943 O  O    . HOH   I .   ? 0.2069 0.2934 0.2293 -0.0405 0.0031  0.0453  612 HOH   A O    
3944 O  O    . HOH   I .   ? 0.3830 0.3432 0.3901 -0.0534 -0.0507 0.0224  613 HOH   A O    
3945 O  O    . HOH   I .   ? 0.3301 0.2914 0.2484 -0.0114 -0.0154 0.0378  614 HOH   A O    
3946 O  O    . HOH   I .   ? 0.6126 0.3280 0.7902 0.0469  0.1142  -0.0431 615 HOH   A O    
3947 O  O    . HOH   I .   ? 0.1860 0.1860 0.1794 -0.0039 0.0102  -0.0171 616 HOH   A O    
3948 O  O    . HOH   I .   ? 0.3425 0.5141 0.4970 -0.0914 0.0597  -0.0228 617 HOH   A O    
3949 O  O    . HOH   I .   ? 0.2938 0.2883 0.2402 0.0199  0.0162  -0.0369 618 HOH   A O    
3950 O  O    . HOH   I .   ? 0.1662 0.2539 0.1580 -0.0308 -0.0227 -0.0301 619 HOH   A O    
3951 O  O    . HOH   I .   ? 0.3214 0.2899 0.2482 -0.0525 -0.0022 -0.0710 620 HOH   A O    
3952 O  O    . HOH   I .   ? 0.6689 0.4768 0.3852 0.2099  0.0619  0.0848  621 HOH   A O    
3953 O  O    . HOH   I .   ? 0.3643 0.3496 0.3705 0.0940  -0.0280 0.1180  622 HOH   A O    
3954 O  O    . HOH   I .   ? 0.4154 0.3917 0.4976 -0.0013 0.0496  -0.2049 623 HOH   A O    
3955 O  O    . HOH   I .   ? 0.2138 0.1689 0.2888 0.0162  -0.0036 0.0553  624 HOH   A O    
3956 O  O    . HOH   I .   ? 0.2879 0.3439 0.2877 0.0147  0.0197  0.0698  625 HOH   A O    
3957 O  O    . HOH   I .   ? 0.3370 0.5988 0.6589 -0.0948 0.2360  0.0457  626 HOH   A O    
3958 O  O    . HOH   I .   ? 0.4022 0.4438 0.3808 -0.0043 -0.0527 0.0818  627 HOH   A O    
3959 O  O    . HOH   I .   ? 0.2639 0.3590 0.1946 0.0029  0.0726  0.0077  628 HOH   A O    
3960 O  O    . HOH   I .   ? 0.5826 0.6222 0.6743 0.0344  0.1008  0.0399  629 HOH   A O    
3961 O  O    . HOH   I .   ? 0.4746 0.4612 0.4262 0.0480  0.0170  -0.0717 630 HOH   A O    
3962 O  O    A HOH   I .   ? 0.1556 0.2145 0.1944 -0.0297 0.0283  0.0334  631 HOH   A O    
3963 O  O    B HOH   I .   ? 0.2438 0.2670 0.2161 -0.0235 0.0467  0.1034  631 HOH   A O    
3964 O  O    . HOH   I .   ? 0.2384 0.3186 0.4707 0.0490  -0.0240 0.0498  632 HOH   A O    
3965 O  O    . HOH   I .   ? 0.1595 0.1597 0.1606 -0.0104 -0.0031 0.0162  633 HOH   A O    
3966 O  O    . HOH   I .   ? 0.2258 0.4851 0.4619 0.0122  0.0461  0.0172  634 HOH   A O    
3967 O  O    . HOH   I .   ? 0.3802 0.3557 0.2903 -0.0607 0.0035  -0.0213 635 HOH   A O    
3968 O  O    . HOH   I .   ? 0.3704 0.3238 0.2550 -0.0113 -0.0273 0.0876  636 HOH   A O    
3969 O  O    . HOH   I .   ? 0.5581 0.6465 0.3940 -0.0888 0.1425  -0.1693 637 HOH   A O    
3970 O  O    . HOH   I .   ? 0.5313 0.7058 0.6393 -0.0295 -0.0577 -0.0688 638 HOH   A O    
3971 O  O    . HOH   I .   ? 0.3936 0.5413 0.6717 0.0495  -0.0981 0.0565  639 HOH   A O    
3972 O  O    . HOH   I .   ? 0.3453 0.2656 0.4348 -0.1174 0.0020  -0.0282 640 HOH   A O    
3973 O  O    . HOH   I .   ? 0.5376 0.6347 0.4443 0.1037  -0.1704 -0.0299 641 HOH   A O    
3974 O  O    . HOH   I .   ? 0.4875 0.7513 0.5095 0.0928  0.1630  -0.0818 642 HOH   A O    
3975 O  O    . HOH   I .   ? 0.3962 0.4609 0.3923 -0.0348 -0.0519 -0.0982 643 HOH   A O    
3976 O  O    . HOH   I .   ? 0.2858 0.3488 0.4532 0.0098  -0.0438 -0.0436 644 HOH   A O    
3977 O  O    . HOH   I .   ? 0.4758 0.6532 0.4270 -0.1031 -0.1373 0.2029  645 HOH   A O    
3978 O  O    . HOH   I .   ? 0.2708 0.4930 0.2938 0.0034  -0.0237 0.0498  646 HOH   A O    
3979 O  O    . HOH   I .   ? 0.1444 0.1356 0.1901 0.0214  0.0283  0.0115  647 HOH   A O    
3980 O  O    . HOH   I .   ? 0.3682 0.5871 0.3400 0.0884  0.0263  -0.1218 648 HOH   A O    
3981 O  O    . HOH   I .   ? 0.3004 0.4172 0.3636 0.1198  -0.0129 -0.0692 649 HOH   A O    
3982 O  O    . HOH   I .   ? 0.4333 0.3129 0.4415 -0.0578 0.0785  0.0719  650 HOH   A O    
3983 O  O    . HOH   I .   ? 0.2795 0.3533 0.2431 0.0267  -0.0157 0.0042  651 HOH   A O    
3984 O  O    . HOH   I .   ? 0.3295 0.4548 0.4646 -0.0523 -0.0178 0.0044  652 HOH   A O    
3985 O  O    . HOH   I .   ? 0.3657 0.4545 0.3997 -0.0874 -0.0072 0.0999  653 HOH   A O    
3986 O  O    . HOH   I .   ? 0.6717 0.4109 0.4267 -0.0002 0.0181  0.1957  654 HOH   A O    
3987 O  O    . HOH   I .   ? 0.3274 0.3377 0.2835 -0.0480 -0.0158 -0.0390 655 HOH   A O    
3988 O  O    . HOH   I .   ? 0.2935 0.3187 0.3920 -0.1091 -0.1387 0.1688  656 HOH   A O    
3989 O  O    . HOH   I .   ? 0.4965 0.4491 0.6386 -0.0232 0.0249  -0.0490 657 HOH   A O    
3990 O  O    . HOH   I .   ? 0.7363 0.6783 0.3534 -0.0258 -0.0064 -0.0120 658 HOH   A O    
3991 O  O    . HOH   I .   ? 0.3620 0.3401 0.2542 0.0857  -0.0041 0.0942  659 HOH   A O    
3992 O  O    . HOH   I .   ? 0.5256 0.4602 0.3428 -0.0473 0.0916  0.0214  660 HOH   A O    
3993 O  O    . HOH   I .   ? 0.7203 0.4004 0.7490 0.1263  0.0605  0.1193  661 HOH   A O    
3994 O  O    . HOH   I .   ? 0.3875 0.4157 0.3596 -0.0050 0.1394  0.0223  662 HOH   A O    
3995 O  O    . HOH   I .   ? 0.4736 0.4588 0.4347 0.0147  0.0986  -0.0727 663 HOH   A O    
3996 O  O    . HOH   I .   ? 0.1633 0.1899 0.1706 -0.0332 -0.0012 -0.0035 664 HOH   A O    
3997 O  O    . HOH   I .   ? 0.5126 0.7270 0.4399 0.0786  -0.0928 -0.0760 665 HOH   A O    
3998 O  O    . HOH   I .   ? 0.2964 0.5647 0.2446 -0.0603 0.0002  0.0661  666 HOH   A O    
3999 O  O    . HOH   I .   ? 0.2038 0.1860 0.2342 -0.0072 0.0469  -0.0131 667 HOH   A O    
4000 O  O    . HOH   I .   ? 0.4924 0.3325 0.4568 -0.1605 -0.1076 -0.0337 668 HOH   A O    
4001 O  O    . HOH   I .   ? 0.6410 0.4313 0.6201 -0.0599 0.1310  0.0040  669 HOH   A O    
4002 O  O    . HOH   I .   ? 0.6454 0.3566 0.6709 -0.0785 0.1486  -0.1724 670 HOH   A O    
4003 O  O    . HOH   I .   ? 0.3358 0.2487 0.2284 0.0481  -0.0089 0.0253  671 HOH   A O    
4004 O  O    . HOH   I .   ? 0.6366 0.3201 0.7366 -0.0724 -0.1171 -0.0031 672 HOH   A O    
4005 O  O    . HOH   I .   ? 0.3287 0.6185 0.5899 0.1591  0.0143  -0.1207 673 HOH   A O    
4006 O  O    . HOH   I .   ? 0.4875 0.5378 0.9087 0.0787  -0.1024 -0.2133 674 HOH   A O    
4007 O  O    . HOH   I .   ? 0.3408 0.3034 0.3069 -0.0432 -0.0765 0.0123  675 HOH   A O    
4008 O  O    . HOH   I .   ? 0.5448 0.5761 0.8098 0.0786  0.2458  0.2702  676 HOH   A O    
4009 O  O    . HOH   I .   ? 0.4495 0.6154 0.4973 0.0509  0.0513  -0.0082 677 HOH   A O    
4010 O  O    . HOH   I .   ? 0.4668 0.2803 0.4702 0.0153  0.0657  -0.0541 678 HOH   A O    
4011 O  O    . HOH   I .   ? 0.2724 0.3195 0.3189 0.0489  -0.0544 0.0423  679 HOH   A O    
4012 O  O    . HOH   I .   ? 0.2771 0.3566 0.2205 0.0380  0.0164  0.0494  680 HOH   A O    
4013 O  O    . HOH   I .   ? 0.2957 0.2096 0.3162 0.0124  0.0227  0.0440  681 HOH   A O    
4014 O  O    . HOH   I .   ? 0.3320 0.4743 0.4529 -0.0148 -0.1411 0.0550  682 HOH   A O    
4015 O  O    . HOH   I .   ? 0.2791 0.2714 0.3229 0.0390  -0.0048 0.0153  683 HOH   A O    
4016 O  O    . HOH   I .   ? 0.3121 0.3430 0.5510 -0.0890 0.0126  -0.0218 684 HOH   A O    
4017 O  O    . HOH   I .   ? 0.4496 0.6914 0.6648 0.0501  -0.0379 0.0546  685 HOH   A O    
4018 O  O    . HOH   I .   ? 0.6003 0.5517 0.4356 -0.0030 0.1184  -0.1095 686 HOH   A O    
4019 O  O    . HOH   I .   ? 0.5463 0.6966 0.5201 -0.0479 0.0520  -0.0735 687 HOH   A O    
4020 O  O    . HOH   I .   ? 0.6899 0.6046 0.5474 0.0953  0.1187  -0.0951 688 HOH   A O    
4021 O  O    . HOH   I .   ? 0.4748 0.4451 0.6257 0.1608  0.1760  -0.0122 689 HOH   A O    
4022 O  O    . HOH   I .   ? 0.2930 0.3678 0.4789 -0.0256 -0.0075 0.0451  690 HOH   A O    
4023 O  O    . HOH   I .   ? 0.5100 0.4399 0.1386 0.0194  0.0014  -0.0524 691 HOH   A O    
4024 O  O    . HOH   I .   ? 0.4309 0.4769 0.3789 -0.0667 -0.0785 0.0391  692 HOH   A O    
4025 O  O    . HOH   I .   ? 0.5082 0.4896 0.4204 -0.1923 -0.0372 -0.0091 693 HOH   A O    
4026 O  O    . HOH   I .   ? 0.2440 0.5425 0.4721 -0.0107 0.0474  0.0813  694 HOH   A O    
4027 O  O    . HOH   I .   ? 0.3848 0.4254 0.5441 0.1116  -0.0271 0.0305  695 HOH   A O    
4028 O  O    . HOH   I .   ? 0.3858 0.3026 0.5285 -0.0470 0.1446  0.0289  696 HOH   A O    
4029 O  O    . HOH   I .   ? 0.2941 0.2491 0.3099 0.0760  0.0699  0.0118  697 HOH   A O    
4030 O  O    . HOH   I .   ? 0.2987 0.3576 0.2372 -0.0083 0.0434  0.0141  698 HOH   A O    
4031 O  O    . HOH   I .   ? 0.3120 0.2755 0.3072 0.0162  0.0249  0.0506  699 HOH   A O    
4032 O  O    . HOH   I .   ? 0.3238 0.6394 0.4141 -0.0044 0.0289  -0.0613 700 HOH   A O    
4033 O  O    . HOH   I .   ? 0.4991 0.5779 0.4091 -0.0015 0.1833  -0.1192 701 HOH   A O    
4034 O  O    . HOH   I .   ? 0.3653 0.3359 0.3657 0.0052  0.0105  -0.1279 702 HOH   A O    
4035 O  O    . HOH   I .   ? 0.6087 0.6950 0.7103 0.0132  0.2291  0.1486  703 HOH   A O    
4036 O  O    . HOH   I .   ? 0.5318 0.8316 0.3051 -0.0674 -0.1135 0.0743  704 HOH   A O    
4037 O  O    . HOH   I .   ? 0.4912 0.4961 0.5377 0.0184  -0.1305 -0.0395 705 HOH   A O    
4038 O  O    . HOH   I .   ? 0.2615 0.3214 0.3807 0.0316  -0.0079 -0.0072 706 HOH   A O    
4039 O  O    . HOH   I .   ? 0.3165 0.3933 0.2967 0.0110  0.0640  -0.0435 707 HOH   A O    
4040 O  O    . HOH   I .   ? 0.4987 0.5382 0.4354 -0.1491 0.0851  0.0058  708 HOH   A O    
4041 O  O    . HOH   I .   ? 0.3764 0.4916 0.4354 -0.0010 -0.0187 0.1801  709 HOH   A O    
4042 O  O    . HOH   I .   ? 0.3342 0.4465 0.2879 -0.0551 0.0255  -0.0117 710 HOH   A O    
4043 O  O    . HOH   I .   ? 0.3833 0.4247 0.3404 -0.0102 0.0374  0.0504  711 HOH   A O    
4044 O  O    . HOH   I .   ? 0.4176 0.5607 0.3754 0.0642  -0.1212 0.0713  712 HOH   A O    
4045 O  O    . HOH   I .   ? 0.5000 0.4007 0.3027 0.0523  -0.0574 0.0001  713 HOH   A O    
4046 O  O    . HOH   I .   ? 0.4940 0.3680 0.2505 -0.0446 -0.0145 0.0623  714 HOH   A O    
4047 O  O    . HOH   I .   ? 0.3325 0.3307 0.3501 -0.0043 0.0817  -0.0109 715 HOH   A O    
4048 O  O    . HOH   I .   ? 0.3087 0.3900 0.3209 -0.0544 -0.0199 0.0792  716 HOH   A O    
# 
