data_8S67
# 
_entry.id   8S67 
# 
_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   8S67         pdb_00008s67 10.2210/pdb8s67/pdb 
WWPDB D_1292136849 ?            ?                   
# 
_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       2025-03-12 
_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.status_code                     REL 
_pdbx_database_status.status_code_sf                  REL 
_pdbx_database_status.status_code_mr                  ? 
_pdbx_database_status.entry_id                        8S67 
_pdbx_database_status.recvd_initial_deposition_date   2024-02-26 
_pdbx_database_status.SG_entry                        N 
_pdbx_database_status.deposit_site                    PDBE 
_pdbx_database_status.process_site                    PDBE 
_pdbx_database_status.status_code_cs                  ? 
_pdbx_database_status.status_code_nmr_data            ? 
_pdbx_database_status.methods_development_category    ? 
_pdbx_database_status.pdb_format_compatible           N 
# 
_pdbx_contact_author.id                 2 
_pdbx_contact_author.email              aengus.mac-sweeney@idorsia.com 
_pdbx_contact_author.name_first         Aengus 
_pdbx_contact_author.name_last          'Mac Sweeney' 
_pdbx_contact_author.name_mi            ? 
_pdbx_contact_author.role               'principal investigator/group leader' 
_pdbx_contact_author.identifier_ORCID   0000-0001-7250-9541 
# 
loop_
_audit_author.name 
_audit_author.pdbx_ordinal 
_audit_author.identifier_ORCID 
'Mac Sweeney, A.' 1 ? 
'Sager, C.'       2 ? 
# 
_citation.abstract                  ? 
_citation.abstract_id_CAS           ? 
_citation.book_id_ISBN              ? 
_citation.book_publisher            ? 
_citation.book_publisher_city       ? 
_citation.book_title                ? 
_citation.coordinate_linkage        ? 
_citation.country                   ? 
_citation.database_id_Medline       ? 
_citation.details                   ? 
_citation.id                        primary 
_citation.journal_abbrev            'To Be Published' 
_citation.journal_id_ASTM           ? 
_citation.journal_id_CSD            0353 
_citation.journal_id_ISSN           ? 
_citation.journal_full              ? 
_citation.journal_issue             ? 
_citation.journal_volume            ? 
_citation.language                  ? 
_citation.page_first                ? 
_citation.page_last                 ? 
_citation.title                     'Galectin-3 with a small molecule inhibitor' 
_citation.year                      ? 
_citation.database_id_CSD           ? 
_citation.pdbx_database_id_DOI      ? 
_citation.pdbx_database_id_PubMed   ? 
_citation.pdbx_database_id_patent   ? 
_citation.unpublished_flag          ? 
# 
loop_
_citation_author.citation_id 
_citation_author.name 
_citation_author.ordinal 
_citation_author.identifier_ORCID 
primary 'Remen, L.'       1  ? 
primary 'Zumbrunn, C.'    2  ? 
primary 'Sager, C.P.'     3  ? 
primary 'Grisostomi, C.'  4  ? 
primary 'Mac Sweeney, A.' 5  ? 
primary 'Gatfield, J.'    6  ? 
primary 'Huehn, E.'       7  ? 
primary 'Vercauteren, E.' 8  ? 
primary 'Fournier, E.'    9  ? 
primary 'Schmidt, G.'     10 ? 
primary 'Davenport, R.'   11 ? 
primary 'Iglarz, M.'      12 ? 
primary 'Nayler, O.'      13 ? 
primary 'Bolli, M.H.'     14 ? 
# 
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 Galectin-3 15701.049 1   ? ? ? ? 
2 non-polymer syn 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(1-~{tert}-butyl-1,2,3-triazol-4-yl)methyl]-2-(hydroxymethyl)-5-methoxy-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol
;
496.483   1   ? ? ? ? 
3 non-polymer syn 'THIOCYANATE ION' 58.082    1   ? ? ? ? 
4 water       nat water 18.015    175 ? ? ? ? 
# 
_entity_name_com.entity_id   1 
_entity_name_com.name        
;Gal-3,35 kDa lectin,Carbohydrate-binding protein 35,CBP 35,Galactose-specific lectin 3,Galactoside-binding protein,GALBP,IgE-binding protein,L-31,Laminin-binding protein,Lectin L-29,Mac-2 antigen
;
# 
_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       
;PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPF
ESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_entity_poly.pdbx_seq_one_letter_code_can   
;PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPF
ESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_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 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(1-~{tert}-butyl-1,2,3-triazol-4-yl)methyl]-2-(hydroxymethyl)-5-methoxy-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol
;
A1H5A 
3 'THIOCYANATE ION' SCN   
4 water HOH   
# 
loop_
_entity_poly_seq.entity_id 
_entity_poly_seq.num 
_entity_poly_seq.mon_id 
_entity_poly_seq.hetero 
1 1   PRO n 
1 2   LEU n 
1 3   ILE n 
1 4   VAL n 
1 5   PRO n 
1 6   TYR n 
1 7   ASN n 
1 8   LEU n 
1 9   PRO n 
1 10  LEU n 
1 11  PRO n 
1 12  GLY n 
1 13  GLY n 
1 14  VAL n 
1 15  VAL n 
1 16  PRO n 
1 17  ARG n 
1 18  MET n 
1 19  LEU n 
1 20  ILE n 
1 21  THR n 
1 22  ILE n 
1 23  LEU n 
1 24  GLY n 
1 25  THR n 
1 26  VAL n 
1 27  LYS n 
1 28  PRO n 
1 29  ASN n 
1 30  ALA n 
1 31  ASN n 
1 32  ARG n 
1 33  ILE n 
1 34  ALA n 
1 35  LEU n 
1 36  ASP n 
1 37  PHE n 
1 38  GLN n 
1 39  ARG n 
1 40  GLY n 
1 41  ASN n 
1 42  ASP n 
1 43  VAL n 
1 44  ALA n 
1 45  PHE n 
1 46  HIS n 
1 47  PHE n 
1 48  ASN n 
1 49  PRO n 
1 50  ARG n 
1 51  PHE n 
1 52  ASN n 
1 53  GLU n 
1 54  ASN n 
1 55  ASN n 
1 56  ARG n 
1 57  ARG n 
1 58  VAL n 
1 59  ILE n 
1 60  VAL n 
1 61  CYS n 
1 62  ASN n 
1 63  THR n 
1 64  LYS n 
1 65  LEU n 
1 66  ASP n 
1 67  ASN n 
1 68  ASN n 
1 69  TRP n 
1 70  GLY n 
1 71  ARG n 
1 72  GLU n 
1 73  GLU n 
1 74  ARG n 
1 75  GLN n 
1 76  SER n 
1 77  VAL n 
1 78  PHE n 
1 79  PRO n 
1 80  PHE n 
1 81  GLU n 
1 82  SER n 
1 83  GLY n 
1 84  LYS n 
1 85  PRO n 
1 86  PHE n 
1 87  LYS n 
1 88  ILE n 
1 89  GLN n 
1 90  VAL n 
1 91  LEU n 
1 92  VAL n 
1 93  GLU n 
1 94  PRO n 
1 95  ASP n 
1 96  HIS n 
1 97  PHE n 
1 98  LYS n 
1 99  VAL n 
1 100 ALA n 
1 101 VAL n 
1 102 ASN n 
1 103 ASP n 
1 104 ALA n 
1 105 HIS n 
1 106 LEU n 
1 107 LEU n 
1 108 GLN n 
1 109 TYR n 
1 110 ASN n 
1 111 HIS n 
1 112 ARG n 
1 113 VAL n 
1 114 LYS n 
1 115 LYS n 
1 116 LEU n 
1 117 ASN n 
1 118 GLU n 
1 119 ILE n 
1 120 SER n 
1 121 LYS n 
1 122 LEU n 
1 123 GLY n 
1 124 ILE n 
1 125 SER n 
1 126 GLY n 
1 127 ASP n 
1 128 ILE n 
1 129 ASP n 
1 130 LEU n 
1 131 THR n 
1 132 SER n 
1 133 ALA n 
1 134 SER n 
1 135 TYR n 
1 136 THR n 
1 137 MET n 
1 138 ILE 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                   138 
_entity_src_gen.gene_src_common_name               human 
_entity_src_gen.gene_src_genus                     ? 
_entity_src_gen.pdbx_gene_src_gene                 'LGALS3, MAC2' 
_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 
A1H5A non-polymer         . 
;(2~{R},3~{R},4~{S},5~{R},6~{R})-6-[(1-~{tert}-butyl-1,2,3-triazol-4-yl)methyl]-2-(hydroxymethyl)-5-methoxy-4-[4-[3,4,5-tris(fluoranyl)phenyl]-1,2,3-triazol-1-yl]oxan-3-ol
;
? 'C22 H27 F3 N6 O4' 496.483 
ALA   'L-peptide linking' y ALANINE ? 'C3 H7 N O2'       89.093  
ARG   'L-peptide linking' y ARGININE ? 'C6 H15 N4 O2 1'   175.209 
ASN   'L-peptide linking' y ASPARAGINE ? 'C4 H8 N2 O3'      132.118 
ASP   'L-peptide linking' y 'ASPARTIC ACID' ? 'C4 H7 N O4'       133.103 
CYS   'L-peptide linking' y CYSTEINE ? 'C3 H7 N O2 S'     121.158 
GLN   'L-peptide linking' y GLUTAMINE ? 'C5 H10 N2 O3'     146.144 
GLU   'L-peptide linking' y 'GLUTAMIC ACID' ? 'C5 H9 N O4'       147.129 
GLY   'peptide linking'   y GLYCINE ? 'C2 H5 N O2'       75.067  
HIS   'L-peptide linking' y HISTIDINE ? 'C6 H10 N3 O2 1'   156.162 
HOH   non-polymer         . WATER ? 'H2 O'             18.015  
ILE   'L-peptide linking' y ISOLEUCINE ? 'C6 H13 N O2'      131.173 
LEU   'L-peptide linking' y LEUCINE ? 'C6 H13 N O2'      131.173 
LYS   'L-peptide linking' y LYSINE ? 'C6 H15 N2 O2 1'   147.195 
MET   'L-peptide linking' y METHIONINE ? 'C5 H11 N O2 S'    149.211 
PHE   'L-peptide linking' y PHENYLALANINE ? 'C9 H11 N O2'      165.189 
PRO   'L-peptide linking' y PROLINE ? 'C5 H9 N O2'       115.130 
SCN   non-polymer         . 'THIOCYANATE ION' ? 'C N S -1'         58.082  
SER   'L-peptide linking' y SERINE ? 'C3 H7 N O3'       105.093 
THR   'L-peptide linking' y THREONINE ? 'C4 H9 N O3'       119.119 
TRP   'L-peptide linking' y TRYPTOPHAN ? 'C11 H12 N2 O2'    204.225 
TYR   'L-peptide linking' y TYROSINE ? 'C9 H11 N O3'      181.189 
VAL   'L-peptide linking' y VALINE ? 'C5 H11 N O2'      117.146 
# 
loop_
_pdbx_poly_seq_scheme.asym_id 
_pdbx_poly_seq_scheme.entity_id 
_pdbx_poly_seq_scheme.seq_id 
_pdbx_poly_seq_scheme.mon_id 
_pdbx_poly_seq_scheme.ndb_seq_num 
_pdbx_poly_seq_scheme.pdb_seq_num 
_pdbx_poly_seq_scheme.auth_seq_num 
_pdbx_poly_seq_scheme.pdb_mon_id 
_pdbx_poly_seq_scheme.auth_mon_id 
_pdbx_poly_seq_scheme.pdb_strand_id 
_pdbx_poly_seq_scheme.pdb_ins_code 
_pdbx_poly_seq_scheme.hetero 
A 1 1   PRO 1   113 113 PRO PRO A . n 
A 1 2   LEU 2   114 114 LEU LEU A . n 
A 1 3   ILE 3   115 115 ILE ILE A . n 
A 1 4   VAL 4   116 116 VAL VAL A . n 
A 1 5   PRO 5   117 117 PRO PRO A . n 
A 1 6   TYR 6   118 118 TYR TYR A . n 
A 1 7   ASN 7   119 119 ASN ASN A . n 
A 1 8   LEU 8   120 120 LEU LEU A . n 
A 1 9   PRO 9   121 121 PRO PRO A . n 
A 1 10  LEU 10  122 122 LEU LEU A . n 
A 1 11  PRO 11  123 123 PRO PRO A . n 
A 1 12  GLY 12  124 124 GLY GLY A . n 
A 1 13  GLY 13  125 125 GLY GLY A . n 
A 1 14  VAL 14  126 126 VAL VAL A . n 
A 1 15  VAL 15  127 127 VAL VAL A . n 
A 1 16  PRO 16  128 128 PRO PRO A . n 
A 1 17  ARG 17  129 129 ARG ARG A . n 
A 1 18  MET 18  130 130 MET MET A . n 
A 1 19  LEU 19  131 131 LEU LEU A . n 
A 1 20  ILE 20  132 132 ILE ILE A . n 
A 1 21  THR 21  133 133 THR THR A . n 
A 1 22  ILE 22  134 134 ILE ILE A . n 
A 1 23  LEU 23  135 135 LEU LEU A . n 
A 1 24  GLY 24  136 136 GLY GLY A . n 
A 1 25  THR 25  137 137 THR THR A . n 
A 1 26  VAL 26  138 138 VAL VAL A . n 
A 1 27  LYS 27  139 139 LYS LYS A . n 
A 1 28  PRO 28  140 140 PRO PRO A . n 
A 1 29  ASN 29  141 141 ASN ASN A . n 
A 1 30  ALA 30  142 142 ALA ALA A . n 
A 1 31  ASN 31  143 143 ASN ASN A . n 
A 1 32  ARG 32  144 144 ARG ARG A . n 
A 1 33  ILE 33  145 145 ILE ILE A . n 
A 1 34  ALA 34  146 146 ALA ALA A . n 
A 1 35  LEU 35  147 147 LEU LEU A . n 
A 1 36  ASP 36  148 148 ASP ASP A . n 
A 1 37  PHE 37  149 149 PHE PHE A . n 
A 1 38  GLN 38  150 150 GLN GLN A . n 
A 1 39  ARG 39  151 151 ARG ARG A . n 
A 1 40  GLY 40  152 152 GLY GLY A . n 
A 1 41  ASN 41  153 153 ASN ASN A . n 
A 1 42  ASP 42  154 154 ASP ASP A . n 
A 1 43  VAL 43  155 155 VAL VAL A . n 
A 1 44  ALA 44  156 156 ALA ALA A . n 
A 1 45  PHE 45  157 157 PHE PHE A . n 
A 1 46  HIS 46  158 158 HIS HIS A . n 
A 1 47  PHE 47  159 159 PHE PHE A . n 
A 1 48  ASN 48  160 160 ASN ASN A . n 
A 1 49  PRO 49  161 161 PRO PRO A . n 
A 1 50  ARG 50  162 162 ARG ARG A . n 
A 1 51  PHE 51  163 163 PHE PHE A . n 
A 1 52  ASN 52  164 164 ASN ASN A . n 
A 1 53  GLU 53  165 165 GLU GLU A . n 
A 1 54  ASN 54  166 166 ASN ASN A . n 
A 1 55  ASN 55  167 167 ASN ASN A . n 
A 1 56  ARG 56  168 168 ARG ARG A . n 
A 1 57  ARG 57  169 169 ARG ARG A . n 
A 1 58  VAL 58  170 170 VAL VAL A . n 
A 1 59  ILE 59  171 171 ILE ILE A . n 
A 1 60  VAL 60  172 172 VAL VAL A . n 
A 1 61  CYS 61  173 173 CYS CYS A . n 
A 1 62  ASN 62  174 174 ASN ASN A . n 
A 1 63  THR 63  175 175 THR THR A . n 
A 1 64  LYS 64  176 176 LYS LYS A . n 
A 1 65  LEU 65  177 177 LEU LEU A . n 
A 1 66  ASP 66  178 178 ASP ASP A . n 
A 1 67  ASN 67  179 179 ASN ASN A . n 
A 1 68  ASN 68  180 180 ASN ASN A . n 
A 1 69  TRP 69  181 181 TRP TRP A . n 
A 1 70  GLY 70  182 182 GLY GLY A . n 
A 1 71  ARG 71  183 183 ARG ARG A . n 
A 1 72  GLU 72  184 184 GLU GLU A . n 
A 1 73  GLU 73  185 185 GLU GLU A . n 
A 1 74  ARG 74  186 186 ARG ARG A . n 
A 1 75  GLN 75  187 187 GLN GLN A . n 
A 1 76  SER 76  188 188 SER SER A . n 
A 1 77  VAL 77  189 189 VAL VAL A . n 
A 1 78  PHE 78  190 190 PHE PHE A . n 
A 1 79  PRO 79  191 191 PRO PRO A . n 
A 1 80  PHE 80  192 192 PHE PHE A . n 
A 1 81  GLU 81  193 193 GLU GLU A . n 
A 1 82  SER 82  194 194 SER SER A . n 
A 1 83  GLY 83  195 195 GLY GLY A . n 
A 1 84  LYS 84  196 196 LYS LYS A . n 
A 1 85  PRO 85  197 197 PRO PRO A . n 
A 1 86  PHE 86  198 198 PHE PHE A . n 
A 1 87  LYS 87  199 199 LYS LYS A . n 
A 1 88  ILE 88  200 200 ILE ILE A . n 
A 1 89  GLN 89  201 201 GLN GLN A . n 
A 1 90  VAL 90  202 202 VAL VAL A . n 
A 1 91  LEU 91  203 203 LEU LEU A . n 
A 1 92  VAL 92  204 204 VAL VAL A . n 
A 1 93  GLU 93  205 205 GLU GLU A . n 
A 1 94  PRO 94  206 206 PRO PRO A . n 
A 1 95  ASP 95  207 207 ASP ASP A . n 
A 1 96  HIS 96  208 208 HIS HIS A . n 
A 1 97  PHE 97  209 209 PHE PHE A . n 
A 1 98  LYS 98  210 210 LYS LYS A . n 
A 1 99  VAL 99  211 211 VAL VAL A . n 
A 1 100 ALA 100 212 212 ALA ALA A . n 
A 1 101 VAL 101 213 213 VAL VAL A . n 
A 1 102 ASN 102 214 214 ASN ASN A . n 
A 1 103 ASP 103 215 215 ASP ASP A . n 
A 1 104 ALA 104 216 216 ALA ALA A . n 
A 1 105 HIS 105 217 217 HIS HIS A . n 
A 1 106 LEU 106 218 218 LEU LEU A . n 
A 1 107 LEU 107 219 219 LEU LEU A . n 
A 1 108 GLN 108 220 220 GLN GLN A . n 
A 1 109 TYR 109 221 221 TYR TYR A . n 
A 1 110 ASN 110 222 222 ASN ASN A . n 
A 1 111 HIS 111 223 223 HIS HIS A . n 
A 1 112 ARG 112 224 224 ARG ARG A . n 
A 1 113 VAL 113 225 225 VAL VAL A . n 
A 1 114 LYS 114 226 226 LYS LYS A . n 
A 1 115 LYS 115 227 227 LYS LYS A . n 
A 1 116 LEU 116 228 228 LEU LEU A . n 
A 1 117 ASN 117 229 229 ASN ASN A . n 
A 1 118 GLU 118 230 230 GLU GLU A . n 
A 1 119 ILE 119 231 231 ILE ILE A . n 
A 1 120 SER 120 232 232 SER SER A . n 
A 1 121 LYS 121 233 233 LYS LYS A . n 
A 1 122 LEU 122 234 234 LEU LEU A . n 
A 1 123 GLY 123 235 235 GLY GLY A . n 
A 1 124 ILE 124 236 236 ILE ILE A . n 
A 1 125 SER 125 237 237 SER SER A . n 
A 1 126 GLY 126 238 238 GLY GLY A . n 
A 1 127 ASP 127 239 239 ASP ASP A . n 
A 1 128 ILE 128 240 240 ILE ILE A . n 
A 1 129 ASP 129 241 241 ASP ASP A . n 
A 1 130 LEU 130 242 242 LEU LEU A . n 
A 1 131 THR 131 243 243 THR THR A . n 
A 1 132 SER 132 244 244 SER SER A . n 
A 1 133 ALA 133 245 245 ALA ALA A . n 
A 1 134 SER 134 246 246 SER SER A . n 
A 1 135 TYR 135 247 247 TYR TYR A . n 
A 1 136 THR 136 248 248 THR THR A . n 
A 1 137 MET 137 249 249 MET MET A . n 
A 1 138 ILE 138 250 250 ILE ILE A . n 
# 
_pdbx_entity_instance_feature.ordinal        1 
_pdbx_entity_instance_feature.comp_id        A1H5A 
_pdbx_entity_instance_feature.asym_id        ? 
_pdbx_entity_instance_feature.seq_num        ? 
_pdbx_entity_instance_feature.auth_comp_id   A1H5A 
_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 A1H5A 1   301 301 A1H5A LIG A . 
C 3 SCN   1   302 302 SCN   SCN A . 
D 4 HOH   1   401 159 HOH   HOH A . 
D 4 HOH   2   402 272 HOH   HOH A . 
D 4 HOH   3   403 146 HOH   HOH A . 
D 4 HOH   4   404 113 HOH   HOH A . 
D 4 HOH   5   405 24  HOH   HOH A . 
D 4 HOH   6   406 128 HOH   HOH A . 
D 4 HOH   7   407 291 HOH   HOH A . 
D 4 HOH   8   408 45  HOH   HOH A . 
D 4 HOH   9   409 41  HOH   HOH A . 
D 4 HOH   10  410 40  HOH   HOH A . 
D 4 HOH   11  411 77  HOH   HOH A . 
D 4 HOH   12  412 393 HOH   HOH A . 
D 4 HOH   13  413 49  HOH   HOH A . 
D 4 HOH   14  414 19  HOH   HOH A . 
D 4 HOH   15  415 233 HOH   HOH A . 
D 4 HOH   16  416 383 HOH   HOH A . 
D 4 HOH   17  417 43  HOH   HOH A . 
D 4 HOH   18  418 22  HOH   HOH A . 
D 4 HOH   19  419 184 HOH   HOH A . 
D 4 HOH   20  420 51  HOH   HOH A . 
D 4 HOH   21  421 164 HOH   HOH A . 
D 4 HOH   22  422 63  HOH   HOH A . 
D 4 HOH   23  423 391 HOH   HOH A . 
D 4 HOH   24  424 130 HOH   HOH A . 
D 4 HOH   25  425 47  HOH   HOH A . 
D 4 HOH   26  426 156 HOH   HOH A . 
D 4 HOH   27  427 10  HOH   HOH A . 
D 4 HOH   28  428 240 HOH   HOH A . 
D 4 HOH   29  429 392 HOH   HOH A . 
D 4 HOH   30  430 12  HOH   HOH A . 
D 4 HOH   31  431 32  HOH   HOH A . 
D 4 HOH   32  432 75  HOH   HOH A . 
D 4 HOH   33  433 58  HOH   HOH A . 
D 4 HOH   34  434 114 HOH   HOH A . 
D 4 HOH   35  435 69  HOH   HOH A . 
D 4 HOH   36  436 95  HOH   HOH A . 
D 4 HOH   37  437 6   HOH   HOH A . 
D 4 HOH   38  438 67  HOH   HOH A . 
D 4 HOH   39  439 2   HOH   HOH A . 
D 4 HOH   40  440 15  HOH   HOH A . 
D 4 HOH   41  441 109 HOH   HOH A . 
D 4 HOH   42  442 29  HOH   HOH A . 
D 4 HOH   43  443 82  HOH   HOH A . 
D 4 HOH   44  444 85  HOH   HOH A . 
D 4 HOH   45  445 98  HOH   HOH A . 
D 4 HOH   46  446 33  HOH   HOH A . 
D 4 HOH   47  447 72  HOH   HOH A . 
D 4 HOH   48  448 62  HOH   HOH A . 
D 4 HOH   49  449 89  HOH   HOH A . 
D 4 HOH   50  450 134 HOH   HOH A . 
D 4 HOH   51  451 27  HOH   HOH A . 
D 4 HOH   52  452 1   HOH   HOH A . 
D 4 HOH   53  453 104 HOH   HOH A . 
D 4 HOH   54  454 163 HOH   HOH A . 
D 4 HOH   55  455 80  HOH   HOH A . 
D 4 HOH   56  456 94  HOH   HOH A . 
D 4 HOH   57  457 112 HOH   HOH A . 
D 4 HOH   58  458 394 HOH   HOH A . 
D 4 HOH   59  459 78  HOH   HOH A . 
D 4 HOH   60  460 70  HOH   HOH A . 
D 4 HOH   61  461 103 HOH   HOH A . 
D 4 HOH   62  462 139 HOH   HOH A . 
D 4 HOH   63  463 380 HOH   HOH A . 
D 4 HOH   64  464 25  HOH   HOH A . 
D 4 HOH   65  465 36  HOH   HOH A . 
D 4 HOH   66  466 18  HOH   HOH A . 
D 4 HOH   67  467 87  HOH   HOH A . 
D 4 HOH   68  468 28  HOH   HOH A . 
D 4 HOH   69  469 238 HOH   HOH A . 
D 4 HOH   70  470 115 HOH   HOH A . 
D 4 HOH   71  471 39  HOH   HOH A . 
D 4 HOH   72  472 73  HOH   HOH A . 
D 4 HOH   73  473 30  HOH   HOH A . 
D 4 HOH   74  474 31  HOH   HOH A . 
D 4 HOH   75  475 74  HOH   HOH A . 
D 4 HOH   76  476 138 HOH   HOH A . 
D 4 HOH   77  477 21  HOH   HOH A . 
D 4 HOH   78  478 121 HOH   HOH A . 
D 4 HOH   79  479 92  HOH   HOH A . 
D 4 HOH   80  480 35  HOH   HOH A . 
D 4 HOH   81  481 86  HOH   HOH A . 
D 4 HOH   82  482 11  HOH   HOH A . 
D 4 HOH   83  483 386 HOH   HOH A . 
D 4 HOH   84  484 23  HOH   HOH A . 
D 4 HOH   85  485 20  HOH   HOH A . 
D 4 HOH   86  486 65  HOH   HOH A . 
D 4 HOH   87  487 13  HOH   HOH A . 
D 4 HOH   88  488 91  HOH   HOH A . 
D 4 HOH   89  489 14  HOH   HOH A . 
D 4 HOH   90  490 133 HOH   HOH A . 
D 4 HOH   91  491 143 HOH   HOH A . 
D 4 HOH   92  492 116 HOH   HOH A . 
D 4 HOH   93  493 387 HOH   HOH A . 
D 4 HOH   94  494 90  HOH   HOH A . 
D 4 HOH   95  495 170 HOH   HOH A . 
D 4 HOH   96  496 157 HOH   HOH A . 
D 4 HOH   97  497 48  HOH   HOH A . 
D 4 HOH   98  498 106 HOH   HOH A . 
D 4 HOH   99  499 46  HOH   HOH A . 
D 4 HOH   100 500 55  HOH   HOH A . 
D 4 HOH   101 501 381 HOH   HOH A . 
D 4 HOH   102 502 53  HOH   HOH A . 
D 4 HOH   103 503 5   HOH   HOH A . 
D 4 HOH   104 504 93  HOH   HOH A . 
D 4 HOH   105 505 56  HOH   HOH A . 
D 4 HOH   106 506 84  HOH   HOH A . 
D 4 HOH   107 507 16  HOH   HOH A . 
D 4 HOH   108 508 129 HOH   HOH A . 
D 4 HOH   109 509 79  HOH   HOH A . 
D 4 HOH   110 510 390 HOH   HOH A . 
D 4 HOH   111 511 382 HOH   HOH A . 
D 4 HOH   112 512 213 HOH   HOH A . 
D 4 HOH   113 513 71  HOH   HOH A . 
D 4 HOH   114 514 8   HOH   HOH A . 
D 4 HOH   115 515 34  HOH   HOH A . 
D 4 HOH   116 516 81  HOH   HOH A . 
D 4 HOH   117 517 140 HOH   HOH A . 
D 4 HOH   118 518 102 HOH   HOH A . 
D 4 HOH   119 519 136 HOH   HOH A . 
D 4 HOH   120 520 66  HOH   HOH A . 
D 4 HOH   121 521 60  HOH   HOH A . 
D 4 HOH   122 522 9   HOH   HOH A . 
D 4 HOH   123 523 124 HOH   HOH A . 
D 4 HOH   124 524 119 HOH   HOH A . 
D 4 HOH   125 525 42  HOH   HOH A . 
D 4 HOH   126 526 354 HOH   HOH A . 
D 4 HOH   127 527 110 HOH   HOH A . 
D 4 HOH   128 528 147 HOH   HOH A . 
D 4 HOH   129 529 100 HOH   HOH A . 
D 4 HOH   130 530 343 HOH   HOH A . 
D 4 HOH   131 531 356 HOH   HOH A . 
D 4 HOH   132 532 358 HOH   HOH A . 
D 4 HOH   133 533 7   HOH   HOH A . 
D 4 HOH   134 534 38  HOH   HOH A . 
D 4 HOH   135 535 59  HOH   HOH A . 
D 4 HOH   136 536 179 HOH   HOH A . 
D 4 HOH   137 537 50  HOH   HOH A . 
D 4 HOH   138 538 353 HOH   HOH A . 
D 4 HOH   139 539 365 HOH   HOH A . 
D 4 HOH   140 540 202 HOH   HOH A . 
D 4 HOH   141 541 342 HOH   HOH A . 
D 4 HOH   142 542 175 HOH   HOH A . 
D 4 HOH   143 543 346 HOH   HOH A . 
D 4 HOH   144 544 125 HOH   HOH A . 
D 4 HOH   145 545 370 HOH   HOH A . 
D 4 HOH   146 546 99  HOH   HOH A . 
D 4 HOH   147 547 64  HOH   HOH A . 
D 4 HOH   148 548 57  HOH   HOH A . 
D 4 HOH   149 549 52  HOH   HOH A . 
D 4 HOH   150 550 355 HOH   HOH A . 
D 4 HOH   151 551 384 HOH   HOH A . 
D 4 HOH   152 552 158 HOH   HOH A . 
D 4 HOH   153 553 144 HOH   HOH A . 
D 4 HOH   154 554 54  HOH   HOH A . 
D 4 HOH   155 555 44  HOH   HOH A . 
D 4 HOH   156 556 375 HOH   HOH A . 
D 4 HOH   157 557 127 HOH   HOH A . 
D 4 HOH   158 558 17  HOH   HOH A . 
D 4 HOH   159 559 26  HOH   HOH A . 
D 4 HOH   160 560 388 HOH   HOH A . 
D 4 HOH   161 561 123 HOH   HOH A . 
D 4 HOH   162 562 190 HOH   HOH A . 
D 4 HOH   163 563 385 HOH   HOH A . 
D 4 HOH   164 564 194 HOH   HOH A . 
D 4 HOH   165 565 389 HOH   HOH A . 
D 4 HOH   166 566 182 HOH   HOH A . 
D 4 HOH   167 567 131 HOH   HOH A . 
D 4 HOH   168 568 107 HOH   HOH A . 
D 4 HOH   169 569 364 HOH   HOH A . 
D 4 HOH   170 570 171 HOH   HOH A . 
D 4 HOH   171 571 97  HOH   HOH A . 
D 4 HOH   172 572 117 HOH   HOH A . 
D 4 HOH   173 573 105 HOH   HOH A . 
D 4 HOH   174 574 352 HOH   HOH A . 
D 4 HOH   175 575 366 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 ILE 115 ? CD1 ? A ILE 3   CD1 
2 1 Y 1 A LYS 233 ? CG  ? A LYS 121 CG  
3 1 Y 1 A LYS 233 ? CD  ? A LYS 121 CD  
4 1 Y 1 A LYS 233 ? CE  ? A LYS 121 CE  
5 1 Y 1 A LYS 233 ? NZ  ? A LYS 121 NZ  
# 
loop_
_software.citation_id 
_software.classification 
_software.compiler_name 
_software.compiler_version 
_software.contact_author 
_software.contact_author_email 
_software.date 
_software.description 
_software.dependencies 
_software.hardware 
_software.language 
_software.location 
_software.mods 
_software.name 
_software.os 
_software.os_version 
_software.type 
_software.version 
_software.pdbx_ordinal 
? refinement       ? ? ? ? ? ? ? ? ? ? ? REFMAC   ? ? ? 5.8.0419 1 
? 'data reduction' ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        2 
? 'data scaling'   ? ? ? ? ? ? ? ? ? ? ? autoPROC ? ? ? .        3 
? phasing          ? ? ? ? ? ? ? ? ? ? ? PHASER   ? ? ? .        4 
# 
_cell.angle_alpha                  90.000 
_cell.angle_alpha_esd              ? 
_cell.angle_beta                   90.000 
_cell.angle_beta_esd               ? 
_cell.angle_gamma                  90.000 
_cell.angle_gamma_esd              ? 
_cell.entry_id                     8S67 
_cell.details                      ? 
_cell.formula_units_Z              ? 
_cell.length_a                     36.448 
_cell.length_a_esd                 ? 
_cell.length_b                     56.887 
_cell.length_b_esd                 ? 
_cell.length_c                     61.153 
_cell.length_c_esd                 ? 
_cell.volume                       ? 
_cell.volume_esd                   ? 
_cell.Z_PDB                        4 
_cell.reciprocal_angle_alpha       ? 
_cell.reciprocal_angle_beta        ? 
_cell.reciprocal_angle_gamma       ? 
_cell.reciprocal_angle_alpha_esd   ? 
_cell.reciprocal_angle_beta_esd    ? 
_cell.reciprocal_angle_gamma_esd   ? 
_cell.reciprocal_length_a          ? 
_cell.reciprocal_length_b          ? 
_cell.reciprocal_length_c          ? 
_cell.reciprocal_length_a_esd      ? 
_cell.reciprocal_length_b_esd      ? 
_cell.reciprocal_length_c_esd      ? 
_cell.pdbx_unique_axis             ? 
_cell.pdbx_esd_method              ? 
# 
_symmetry.entry_id                         8S67 
_symmetry.cell_setting                     ? 
_symmetry.Int_Tables_number                19 
_symmetry.space_group_name_Hall            ? 
_symmetry.space_group_name_H-M             'P 21 21 21' 
_symmetry.pdbx_full_space_group_name_H-M   ? 
# 
_exptl.absorpt_coefficient_mu     ? 
_exptl.absorpt_correction_T_max   ? 
_exptl.absorpt_correction_T_min   ? 
_exptl.absorpt_correction_type    ? 
_exptl.absorpt_process_details    ? 
_exptl.entry_id                   8S67 
_exptl.crystals_number            1 
_exptl.details                    ? 
_exptl.method                     'X-RAY DIFFRACTION' 
_exptl.method_details             ? 
# 
_exptl_crystal.colour                       ? 
_exptl_crystal.density_diffrn               ? 
_exptl_crystal.density_Matthews             2.02 
_exptl_crystal.density_method               ? 
_exptl_crystal.density_percent_sol          39.08 
_exptl_crystal.description                  ? 
_exptl_crystal.F_000                        ? 
_exptl_crystal.id                           1 
_exptl_crystal.preparation                  ? 
_exptl_crystal.size_max                     ? 
_exptl_crystal.size_mid                     ? 
_exptl_crystal.size_min                     ? 
_exptl_crystal.size_rad                     ? 
_exptl_crystal.colour_lustre                ? 
_exptl_crystal.colour_modifier              ? 
_exptl_crystal.colour_primary               ? 
_exptl_crystal.density_meas                 ? 
_exptl_crystal.density_meas_esd             ? 
_exptl_crystal.density_meas_gt              ? 
_exptl_crystal.density_meas_lt              ? 
_exptl_crystal.density_meas_temp            ? 
_exptl_crystal.density_meas_temp_esd        ? 
_exptl_crystal.density_meas_temp_gt         ? 
_exptl_crystal.density_meas_temp_lt         ? 
_exptl_crystal.pdbx_crystal_image_url       ? 
_exptl_crystal.pdbx_crystal_image_format    ? 
_exptl_crystal.pdbx_mosaicity               ? 
_exptl_crystal.pdbx_mosaicity_esd           ? 
_exptl_crystal.pdbx_mosaic_method           ? 
_exptl_crystal.pdbx_mosaic_block_size       ? 
_exptl_crystal.pdbx_mosaic_block_size_esd   ? 
# 
_exptl_crystal_grow.apparatus       ? 
_exptl_crystal_grow.atmosphere      ? 
_exptl_crystal_grow.crystal_id      1 
_exptl_crystal_grow.details         ? 
_exptl_crystal_grow.method          'VAPOR DIFFUSION, SITTING DROP' 
_exptl_crystal_grow.method_ref      ? 
_exptl_crystal_grow.pH              ? 
_exptl_crystal_grow.pressure        ? 
_exptl_crystal_grow.pressure_esd    ? 
_exptl_crystal_grow.seeding         ? 
_exptl_crystal_grow.seeding_ref     ? 
_exptl_crystal_grow.temp_details    ? 
_exptl_crystal_grow.temp_esd        ? 
_exptl_crystal_grow.time            ? 
_exptl_crystal_grow.pdbx_details    '2.4M Sodium malonate pH 7.0' 
_exptl_crystal_grow.pdbx_pH_range   ? 
_exptl_crystal_grow.temp            293 
# 
_diffrn.ambient_environment              ? 
_diffrn.ambient_temp                     100 
_diffrn.ambient_temp_details             ? 
_diffrn.ambient_temp_esd                 ? 
_diffrn.crystal_id                       1 
_diffrn.crystal_support                  ? 
_diffrn.crystal_treatment                ? 
_diffrn.details                          ? 
_diffrn.id                               1 
_diffrn.ambient_pressure                 ? 
_diffrn.ambient_pressure_esd             ? 
_diffrn.ambient_pressure_gt              ? 
_diffrn.ambient_pressure_lt              ? 
_diffrn.ambient_temp_gt                  ? 
_diffrn.ambient_temp_lt                  ? 
_diffrn.pdbx_serial_crystal_experiment   N 
# 
_diffrn_detector.details                      ? 
_diffrn_detector.detector                     PIXEL 
_diffrn_detector.diffrn_id                    1 
_diffrn_detector.type                         'DECTRIS EIGER2 XE CdTe 16M' 
_diffrn_detector.area_resol_mean              ? 
_diffrn_detector.dtime                        ? 
_diffrn_detector.pdbx_frames_total            ? 
_diffrn_detector.pdbx_collection_time_total   ? 
_diffrn_detector.pdbx_collection_date         2024-02-21 
_diffrn_detector.pdbx_frequency               ? 
_diffrn_detector.id                           ? 
_diffrn_detector.number_of_axes               ? 
# 
_diffrn_radiation.collimation                      ? 
_diffrn_radiation.diffrn_id                        1 
_diffrn_radiation.filter_edge                      ? 
_diffrn_radiation.inhomogeneity                    ? 
_diffrn_radiation.monochromator                    ? 
_diffrn_radiation.polarisn_norm                    ? 
_diffrn_radiation.polarisn_ratio                   ? 
_diffrn_radiation.probe                            ? 
_diffrn_radiation.type                             ? 
_diffrn_radiation.xray_symbol                      ? 
_diffrn_radiation.wavelength_id                    1 
_diffrn_radiation.pdbx_monochromatic_or_laue_m_l   M 
_diffrn_radiation.pdbx_wavelength_list             ? 
_diffrn_radiation.pdbx_wavelength                  ? 
_diffrn_radiation.pdbx_diffrn_protocol             'SINGLE WAVELENGTH' 
_diffrn_radiation.pdbx_analyzer                    ? 
_diffrn_radiation.pdbx_scattering_type             x-ray 
# 
_diffrn_radiation_wavelength.id           1 
_diffrn_radiation_wavelength.wavelength   0.886 
_diffrn_radiation_wavelength.wt           1.0 
# 
_diffrn_source.current                     ? 
_diffrn_source.details                     ? 
_diffrn_source.diffrn_id                   1 
_diffrn_source.power                       ? 
_diffrn_source.size                        ? 
_diffrn_source.source                      SYNCHROTRON 
_diffrn_source.target                      ? 
_diffrn_source.type                        'ESRF BEAMLINE ID23-1' 
_diffrn_source.voltage                     ? 
_diffrn_source.take-off_angle              ? 
_diffrn_source.pdbx_wavelength_list        0.886 
_diffrn_source.pdbx_wavelength             ? 
_diffrn_source.pdbx_synchrotron_beamline   ID23-1 
_diffrn_source.pdbx_synchrotron_site       ESRF 
# 
_reflns.B_iso_Wilson_estimate                          ? 
_reflns.entry_id                                       8S67 
_reflns.data_reduction_details                         ? 
_reflns.data_reduction_method                          ? 
_reflns.d_resolution_high                              1.097 
_reflns.d_resolution_low                               30.708 
_reflns.details                                        ? 
_reflns.limit_h_max                                    ? 
_reflns.limit_h_min                                    ? 
_reflns.limit_k_max                                    ? 
_reflns.limit_k_min                                    ? 
_reflns.limit_l_max                                    ? 
_reflns.limit_l_min                                    ? 
_reflns.number_all                                     ? 
_reflns.number_obs                                     51801 
_reflns.observed_criterion                             ? 
_reflns.observed_criterion_F_max                       ? 
_reflns.observed_criterion_F_min                       ? 
_reflns.observed_criterion_I_max                       ? 
_reflns.observed_criterion_I_min                       ? 
_reflns.observed_criterion_sigma_F                     ? 
_reflns.observed_criterion_sigma_I                     ? 
_reflns.percent_possible_obs                           98.0 
_reflns.R_free_details                                 ? 
_reflns.Rmerge_F_all                                   ? 
_reflns.Rmerge_F_obs                                   ? 
_reflns.Friedel_coverage                               ? 
_reflns.number_gt                                      ? 
_reflns.threshold_expression                           ? 
_reflns.pdbx_redundancy                                8.8 
_reflns.pdbx_netI_over_av_sigmaI                       ? 
_reflns.pdbx_netI_over_sigmaI                          8.6 
_reflns.pdbx_res_netI_over_av_sigmaI_2                 ? 
_reflns.pdbx_res_netI_over_sigmaI_2                    ? 
_reflns.pdbx_chi_squared                               ? 
_reflns.pdbx_scaling_rejects                           ? 
_reflns.pdbx_d_res_high_opt                            ? 
_reflns.pdbx_d_res_low_opt                             ? 
_reflns.pdbx_d_res_opt_method                          ? 
_reflns.phase_calculation_details                      ? 
_reflns.pdbx_Rrim_I_all                                0.129 
_reflns.pdbx_Rpim_I_all                                ? 
_reflns.pdbx_d_opt                                     ? 
_reflns.pdbx_number_measured_all                       ? 
_reflns.pdbx_diffrn_id                                 1 
_reflns.pdbx_ordinal                                   1 
_reflns.pdbx_CC_half                                   0.99 
_reflns.pdbx_CC_star                                   ? 
_reflns.pdbx_R_split                                   ? 
_reflns.pdbx_Rmerge_I_obs                              ? 
_reflns.pdbx_Rmerge_I_all                              ? 
_reflns.pdbx_Rsym_value                                ? 
_reflns.pdbx_CC_split_method                           ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_1_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_2_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[1]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[2]   ? 
_reflns.pdbx_aniso_diffraction_limit_axis_3_ortho[3]   ? 
_reflns.pdbx_aniso_diffraction_limit_1                 ? 
_reflns.pdbx_aniso_diffraction_limit_2                 ? 
_reflns.pdbx_aniso_diffraction_limit_3                 ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_1_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_2_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[1]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[2]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvector_3_ortho[3]     ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_1               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_2               ? 
_reflns.pdbx_aniso_B_tensor_eigenvalue_3               ? 
_reflns.pdbx_orthogonalization_convention              ? 
_reflns.pdbx_percent_possible_ellipsoidal              ? 
_reflns.pdbx_percent_possible_spherical                ? 
_reflns.pdbx_percent_possible_ellipsoidal_anomalous    ? 
_reflns.pdbx_percent_possible_spherical_anomalous      ? 
_reflns.pdbx_redundancy_anomalous                      ? 
_reflns.pdbx_CC_half_anomalous                         ? 
_reflns.pdbx_absDiff_over_sigma_anomalous              ? 
_reflns.pdbx_percent_possible_anomalous                ? 
_reflns.pdbx_observed_signal_threshold                 ? 
_reflns.pdbx_signal_type                               ? 
_reflns.pdbx_signal_details                            ? 
_reflns.pdbx_signal_software_id                        ? 
# 
_reflns_shell.d_res_high                                    1.10 
_reflns_shell.d_res_low                                     1.12 
_reflns_shell.meanI_over_sigI_all                           ? 
_reflns_shell.meanI_over_sigI_obs                           2.8 
_reflns_shell.number_measured_all                           ? 
_reflns_shell.number_measured_obs                           ? 
_reflns_shell.number_possible                               ? 
_reflns_shell.number_unique_all                             ? 
_reflns_shell.number_unique_obs                             2590 
_reflns_shell.percent_possible_obs                          ? 
_reflns_shell.Rmerge_F_all                                  ? 
_reflns_shell.Rmerge_F_obs                                  ? 
_reflns_shell.meanI_over_sigI_gt                            ? 
_reflns_shell.meanI_over_uI_all                             ? 
_reflns_shell.meanI_over_uI_gt                              ? 
_reflns_shell.number_measured_gt                            ? 
_reflns_shell.number_unique_gt                              ? 
_reflns_shell.percent_possible_gt                           ? 
_reflns_shell.Rmerge_F_gt                                   ? 
_reflns_shell.Rmerge_I_gt                                   ? 
_reflns_shell.pdbx_redundancy                               ? 
_reflns_shell.pdbx_chi_squared                              ? 
_reflns_shell.pdbx_netI_over_sigmaI_all                     ? 
_reflns_shell.pdbx_netI_over_sigmaI_obs                     ? 
_reflns_shell.pdbx_Rrim_I_all                               0.847 
_reflns_shell.pdbx_Rpim_I_all                               ? 
_reflns_shell.pdbx_rejects                                  ? 
_reflns_shell.pdbx_ordinal                                  1 
_reflns_shell.pdbx_diffrn_id                                1 
_reflns_shell.pdbx_CC_half                                  0.828 
_reflns_shell.pdbx_CC_star                                  ? 
_reflns_shell.pdbx_R_split                                  ? 
_reflns_shell.percent_possible_all                          79.0 
_reflns_shell.Rmerge_I_all                                  ? 
_reflns_shell.Rmerge_I_obs                                  ? 
_reflns_shell.pdbx_Rsym_value                               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal             ? 
_reflns_shell.pdbx_percent_possible_spherical               ? 
_reflns_shell.pdbx_percent_possible_ellipsoidal_anomalous   ? 
_reflns_shell.pdbx_percent_possible_spherical_anomalous     ? 
_reflns_shell.pdbx_redundancy_anomalous                     ? 
_reflns_shell.pdbx_CC_half_anomalous                        ? 
_reflns_shell.pdbx_absDiff_over_sigma_anomalous             ? 
_reflns_shell.pdbx_percent_possible_anomalous               ? 
# 
_refine.aniso_B[1][1]                            -0.827 
_refine.aniso_B[1][2]                            0.000 
_refine.aniso_B[1][3]                            -0.000 
_refine.aniso_B[2][2]                            1.144 
_refine.aniso_B[2][3]                            -0.000 
_refine.aniso_B[3][3]                            -0.317 
_refine.B_iso_max                                ? 
_refine.B_iso_mean                               8.235 
_refine.B_iso_min                                ? 
_refine.correlation_coeff_Fo_to_Fc               0.975 
_refine.correlation_coeff_Fo_to_Fc_free          0.966 
_refine.details                                  'Hydrogens have been added in their riding positions' 
_refine.diff_density_max                         ? 
_refine.diff_density_max_esd                     ? 
_refine.diff_density_min                         ? 
_refine.diff_density_min_esd                     ? 
_refine.diff_density_rms                         ? 
_refine.diff_density_rms_esd                     ? 
_refine.entry_id                                 8S67 
_refine.pdbx_refine_id                           'X-RAY DIFFRACTION' 
_refine.ls_abs_structure_details                 ? 
_refine.ls_abs_structure_Flack                   ? 
_refine.ls_abs_structure_Flack_esd               ? 
_refine.ls_abs_structure_Rogers                  ? 
_refine.ls_abs_structure_Rogers_esd              ? 
_refine.ls_d_res_high                            1.097 
_refine.ls_d_res_low                             30.708 
_refine.ls_extinction_coef                       ? 
_refine.ls_extinction_coef_esd                   ? 
_refine.ls_extinction_expression                 ? 
_refine.ls_extinction_method                     ? 
_refine.ls_goodness_of_fit_all                   ? 
_refine.ls_goodness_of_fit_all_esd               ? 
_refine.ls_goodness_of_fit_obs                   ? 
_refine.ls_goodness_of_fit_obs_esd               ? 
_refine.ls_hydrogen_treatment                    ? 
_refine.ls_matrix_type                           ? 
_refine.ls_number_constraints                    ? 
_refine.ls_number_parameters                     ? 
_refine.ls_number_reflns_all                     ? 
_refine.ls_number_reflns_obs                     51798 
_refine.ls_number_reflns_R_free                  2531 
_refine.ls_number_reflns_R_work                  49267 
_refine.ls_number_restraints                     ? 
_refine.ls_percent_reflns_obs                    98.009 
_refine.ls_percent_reflns_R_free                 4.886 
_refine.ls_R_factor_all                          0.137 
_refine.ls_R_factor_obs                          ? 
_refine.ls_R_factor_R_free                       0.1535 
_refine.ls_R_factor_R_free_error                 ? 
_refine.ls_R_factor_R_free_error_details         ? 
_refine.ls_R_factor_R_work                       0.1361 
_refine.ls_R_Fsqd_factor_obs                     ? 
_refine.ls_R_I_factor_obs                        ? 
_refine.ls_redundancy_reflns_all                 ? 
_refine.ls_redundancy_reflns_obs                 ? 
_refine.ls_restrained_S_all                      ? 
_refine.ls_restrained_S_obs                      ? 
_refine.ls_shift_over_esd_max                    ? 
_refine.ls_shift_over_esd_mean                   ? 
_refine.ls_structure_factor_coef                 ? 
_refine.ls_weighting_details                     ? 
_refine.ls_weighting_scheme                      ? 
_refine.ls_wR_factor_all                         ? 
_refine.ls_wR_factor_obs                         ? 
_refine.ls_wR_factor_R_free                      0.157 
_refine.ls_wR_factor_R_work                      0.139 
_refine.occupancy_max                            ? 
_refine.occupancy_min                            ? 
_refine.solvent_model_details                    'MASK BULK SOLVENT' 
_refine.solvent_model_param_bsol                 ? 
_refine.solvent_model_param_ksol                 ? 
_refine.pdbx_R_complete                          ? 
_refine.ls_R_factor_gt                           ? 
_refine.ls_goodness_of_fit_gt                    ? 
_refine.ls_goodness_of_fit_ref                   ? 
_refine.ls_shift_over_su_max                     ? 
_refine.ls_shift_over_su_max_lt                  ? 
_refine.ls_shift_over_su_mean                    ? 
_refine.ls_shift_over_su_mean_lt                 ? 
_refine.pdbx_ls_sigma_I                          ? 
_refine.pdbx_ls_sigma_F                          ? 
_refine.pdbx_ls_sigma_Fsqd                       ? 
_refine.pdbx_data_cutoff_high_absF               ? 
_refine.pdbx_data_cutoff_high_rms_absF           ? 
_refine.pdbx_data_cutoff_low_absF                ? 
_refine.pdbx_isotropic_thermal_model             ? 
_refine.pdbx_ls_cross_valid_method               'FREE R-VALUE' 
_refine.pdbx_method_to_determine_struct          'MOLECULAR REPLACEMENT' 
_refine.pdbx_starting_model                      ? 
_refine.pdbx_stereochemistry_target_values       ? 
_refine.pdbx_R_Free_selection_details            ? 
_refine.pdbx_stereochem_target_val_spec_case     ? 
_refine.pdbx_overall_ESU_R                       0.029 
_refine.pdbx_overall_ESU_R_Free                  0.029 
_refine.pdbx_solvent_vdw_probe_radii             1.200 
_refine.pdbx_solvent_ion_probe_radii             0.800 
_refine.pdbx_solvent_shrinkage_radii             0.800 
_refine.pdbx_real_space_R                        ? 
_refine.pdbx_density_correlation                 ? 
_refine.pdbx_pd_number_of_powder_patterns        ? 
_refine.pdbx_pd_number_of_points                 ? 
_refine.pdbx_pd_meas_number_of_points            ? 
_refine.pdbx_pd_proc_ls_prof_R_factor            ? 
_refine.pdbx_pd_proc_ls_prof_wR_factor           ? 
_refine.pdbx_pd_Marquardt_correlation_coeff      ? 
_refine.pdbx_pd_Fsqrd_R_factor                   ? 
_refine.pdbx_pd_ls_matrix_band_width             ? 
_refine.pdbx_overall_phase_error                 ? 
_refine.pdbx_overall_SU_R_free_Cruickshank_DPI   ? 
_refine.pdbx_overall_SU_R_free_Blow_DPI          ? 
_refine.pdbx_overall_SU_R_Blow_DPI               ? 
_refine.pdbx_TLS_residual_ADP_flag               ? 
_refine.pdbx_diffrn_id                           1 
_refine.overall_SU_B                             0.913 
_refine.overall_SU_ML                            0.020 
_refine.overall_SU_R_Cruickshank_DPI             ? 
_refine.overall_SU_R_free                        ? 
_refine.overall_FOM_free_R_set                   ? 
_refine.overall_FOM_work_R_set                   ? 
_refine.pdbx_average_fsc_overall                 ? 
_refine.pdbx_average_fsc_work                    0.9898 
_refine.pdbx_average_fsc_free                    0.9854 
# 
_refine_hist.pdbx_refine_id                   'X-RAY DIFFRACTION' 
_refine_hist.cycle_id                         LAST 
_refine_hist.details                          ? 
_refine_hist.d_res_high                       1.097 
_refine_hist.d_res_low                        30.708 
_refine_hist.number_atoms_solvent             175 
_refine_hist.number_atoms_total               1316 
_refine_hist.number_reflns_all                ? 
_refine_hist.number_reflns_obs                ? 
_refine_hist.number_reflns_R_free             ? 
_refine_hist.number_reflns_R_work             ? 
_refine_hist.R_factor_all                     ? 
_refine_hist.R_factor_obs                     ? 
_refine_hist.R_factor_R_free                  ? 
_refine_hist.R_factor_R_work                  ? 
_refine_hist.pdbx_number_residues_total       ? 
_refine_hist.pdbx_B_iso_mean_ligand           ? 
_refine_hist.pdbx_B_iso_mean_solvent          ? 
_refine_hist.pdbx_number_atoms_protein        1103 
_refine_hist.pdbx_number_atoms_nucleic_acid   0 
_refine_hist.pdbx_number_atoms_ligand         38 
_refine_hist.pdbx_number_atoms_lipid          ? 
_refine_hist.pdbx_number_atoms_carb           ? 
_refine_hist.pdbx_pseudo_atom_details         ? 
# 
loop_
_refine_ls_restr.pdbx_refine_id 
_refine_ls_restr.criterion 
_refine_ls_restr.dev_ideal 
_refine_ls_restr.dev_ideal_target 
_refine_ls_restr.number 
_refine_ls_restr.rejects 
_refine_ls_restr.type 
_refine_ls_restr.weight 
_refine_ls_restr.pdbx_restraint_function 
'X-RAY DIFFRACTION' ? 0.013  0.012  1210 ? r_bond_refined_d               ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.016  1152 ? r_bond_other_d                 ? ? 
'X-RAY DIFFRACTION' ? 1.862  1.883  1654 ? r_angle_refined_deg            ? ? 
'X-RAY DIFFRACTION' ? 0.697  1.835  2638 ? r_angle_other_deg              ? ? 
'X-RAY DIFFRACTION' ? 7.578  5.000  143  ? r_dihedral_angle_1_deg         ? ? 
'X-RAY DIFFRACTION' ? 7.033  5.000  10   ? r_dihedral_angle_2_deg         ? ? 
'X-RAY DIFFRACTION' ? 12.129 10.000 193  ? r_dihedral_angle_3_deg         ? ? 
'X-RAY DIFFRACTION' ? 16.376 10.000 58   ? r_dihedral_angle_6_deg         ? ? 
'X-RAY DIFFRACTION' ? 0.108  0.200  174  ? r_chiral_restr                 ? ? 
'X-RAY DIFFRACTION' ? 0.037  0.200  7    ? r_chiral_restr_other           ? ? 
'X-RAY DIFFRACTION' ? 0.009  0.020  1438 ? r_gen_planes_refined           ? ? 
'X-RAY DIFFRACTION' ? 0.001  0.020  292  ? r_gen_planes_other             ? ? 
'X-RAY DIFFRACTION' ? 0.214  0.200  150  ? r_nbd_refined                  ? ? 
'X-RAY DIFFRACTION' ? 0.192  0.200  1011 ? r_symmetry_nbd_other           ? ? 
'X-RAY DIFFRACTION' ? 0.174  0.200  567  ? r_nbtor_refined                ? ? 
'X-RAY DIFFRACTION' ? 0.090  0.200  639  ? r_symmetry_nbtor_other         ? ? 
'X-RAY DIFFRACTION' ? 0.133  0.200  93   ? r_xyhbond_nbd_refined          ? ? 
'X-RAY DIFFRACTION' ? 0.120  0.200  4    ? r_symmetry_nbd_refined         ? ? 
'X-RAY DIFFRACTION' ? 0.142  0.200  35   ? r_nbd_other                    ? ? 
'X-RAY DIFFRACTION' ? 0.117  0.200  24   ? r_symmetry_xyhbond_nbd_refined ? ? 
'X-RAY DIFFRACTION' ? 2.820  0.652  567  ? r_mcbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 2.768  0.649  566  ? r_mcbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.106  1.171  711  ? r_mcangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 4.110  1.172  712  ? r_mcangle_other                ? ? 
'X-RAY DIFFRACTION' ? 4.591  0.901  643  ? r_scbond_it                    ? ? 
'X-RAY DIFFRACTION' ? 4.569  0.899  643  ? r_scbond_other                 ? ? 
'X-RAY DIFFRACTION' ? 6.628  1.554  943  ? r_scangle_it                   ? ? 
'X-RAY DIFFRACTION' ? 6.593  1.551  943  ? r_scangle_other                ? ? 
'X-RAY DIFFRACTION' ? 13.785 11.629 1280 ? r_lrange_it                    ? ? 
'X-RAY DIFFRACTION' ? 11.363 8.330  1231 ? r_lrange_other                 ? ? 
'X-RAY DIFFRACTION' ? 4.790  3.000  2362 ? r_rigid_bond_restr             ? ? 
# 
loop_
_refine_ls_shell.pdbx_refine_id 
_refine_ls_shell.d_res_high 
_refine_ls_shell.d_res_low 
_refine_ls_shell.number_reflns_all 
_refine_ls_shell.number_reflns_obs 
_refine_ls_shell.number_reflns_R_free 
_refine_ls_shell.number_reflns_R_work 
_refine_ls_shell.percent_reflns_obs 
_refine_ls_shell.percent_reflns_R_free 
_refine_ls_shell.R_factor_all 
_refine_ls_shell.R_factor_obs 
_refine_ls_shell.R_factor_R_free_error 
_refine_ls_shell.R_factor_R_work 
_refine_ls_shell.redundancy_reflns_all 
_refine_ls_shell.redundancy_reflns_obs 
_refine_ls_shell.wR_factor_all 
_refine_ls_shell.wR_factor_obs 
_refine_ls_shell.wR_factor_R_free 
_refine_ls_shell.wR_factor_R_work 
_refine_ls_shell.pdbx_R_complete 
_refine_ls_shell.pdbx_total_number_of_bins_used 
_refine_ls_shell.pdbx_phase_error 
_refine_ls_shell.pdbx_fsc_work 
_refine_ls_shell.pdbx_fsc_free 
_refine_ls_shell.R_factor_R_free 
'X-RAY DIFFRACTION' 1.097 1.125  3852 . 154 2946 80.4777  . 0.181 . . 0.180 . . . . . 0.146 . 20 . 0.983 0.979 0.198 
'X-RAY DIFFRACTION' 1.125 1.156  3746 . 185 3330 93.8334  . 0.161 . . 0.159 . . . . . 0.130 . 20 . 0.988 0.984 0.189 
'X-RAY DIFFRACTION' 1.156 1.189  3650 . 183 3421 98.7397  . 0.160 . . 0.158 . . . . . 0.126 . 20 . 0.988 0.981 0.193 
'X-RAY DIFFRACTION' 1.189 1.226  3564 . 172 3385 99.8036  . 0.149 . . 0.148 . . . . . 0.119 . 20 . 0.989 0.977 0.179 
'X-RAY DIFFRACTION' 1.226 1.266  3465 . 178 3287 100.0000 . 0.136 . . 0.134 . . . . . 0.108 . 20 . 0.991 0.984 0.168 
'X-RAY DIFFRACTION' 1.266 1.310  3301 . 168 3133 100.0000 . 0.122 . . 0.121 . . . . . 0.100 . 20 . 0.992 0.990 0.137 
'X-RAY DIFFRACTION' 1.310 1.360  3252 . 174 3078 100.0000 . 0.125 . . 0.124 . . . . . 0.103 . 20 . 0.992 0.986 0.147 
'X-RAY DIFFRACTION' 1.360 1.415  3078 . 149 2928 99.9675  . 0.117 . . 0.115 . . . . . 0.100 . 20 . 0.992 0.987 0.151 
'X-RAY DIFFRACTION' 1.415 1.478  2990 . 152 2838 100.0000 . 0.112 . . 0.110 . . . . . 0.099 . 20 . 0.993 0.988 0.136 
'X-RAY DIFFRACTION' 1.478 1.550  2859 . 124 2735 100.0000 . 0.107 . . 0.106 . . . . . 0.098 . 20 . 0.994 0.991 0.124 
'X-RAY DIFFRACTION' 1.550 1.634  2716 . 125 2591 100.0000 . 0.105 . . 0.104 . . . . . 0.100 . 20 . 0.994 0.990 0.131 
'X-RAY DIFFRACTION' 1.634 1.732  2618 . 115 2503 100.0000 . 0.117 . . 0.116 . . . . . 0.118 . 20 . 0.992 0.988 0.143 
'X-RAY DIFFRACTION' 1.732 1.852  2415 . 99  2316 100.0000 . 0.123 . . 0.122 . . . . . 0.128 . 20 . 0.991 0.987 0.147 
'X-RAY DIFFRACTION' 1.852 1.999  2268 . 112 2156 100.0000 . 0.119 . . 0.119 . . . . . 0.129 . 20 . 0.992 0.993 0.120 
'X-RAY DIFFRACTION' 1.999 2.189  2121 . 107 2014 100.0000 . 0.129 . . 0.129 . . . . . 0.147 . 20 . 0.990 0.989 0.131 
'X-RAY DIFFRACTION' 2.189 2.446  1923 . 83  1840 100.0000 . 0.139 . . 0.139 . . . . . 0.165 . 20 . 0.988 0.987 0.142 
'X-RAY DIFFRACTION' 2.446 2.822  1699 . 70  1629 100.0000 . 0.162 . . 0.162 . . . . . 0.197 . 20 . 0.984 0.983 0.170 
'X-RAY DIFFRACTION' 2.822 3.448  1450 . 88  1362 100.0000 . 0.149 . . 0.149 . . . . . 0.190 . 20 . 0.986 0.987 0.144 
'X-RAY DIFFRACTION' 3.448 4.846  1166 . 61  1104 99.9142  . 0.137 . . 0.136 . . . . . 0.185 . 20 . 0.989 0.984 0.156 
'X-RAY DIFFRACTION' 4.846 30.708 704  . 32  671  99.8580  . 0.211 . . 0.209 . . . . . 0.310 . 20 . 0.974 0.955 0.254 
# 
_struct.entry_id                     8S67 
_struct.title                        'Galectin-3 with a small molecule inhibitor' 
_struct.pdbx_model_details           ? 
_struct.pdbx_formula_weight          ? 
_struct.pdbx_formula_weight_method   ? 
_struct.pdbx_model_type_details      ? 
_struct.pdbx_CASP_flag               N 
# 
_struct_keywords.entry_id        8S67 
_struct_keywords.text            'Inhibitor, SUGAR BINDING PROTEIN' 
_struct_keywords.pdbx_keywords   'SUGAR BINDING PROTEIN' 
# 
loop_
_struct_asym.id 
_struct_asym.pdbx_blank_PDB_chainid_flag 
_struct_asym.pdbx_modified 
_struct_asym.entity_id 
_struct_asym.details 
A N N 1 ? 
B N N 2 ? 
C N N 3 ? 
D N N 4 ? 
# 
_struct_ref.id                         1 
_struct_ref.db_name                    UNP 
_struct_ref.db_code                    LEG3_HUMAN 
_struct_ref.pdbx_db_accession          P17931 
_struct_ref.pdbx_db_isoform            ? 
_struct_ref.entity_id                  1 
_struct_ref.pdbx_seq_one_letter_code   
;PLIVPYNLPLPGGVVPRMLITILGTVKPNANRIALDFQRGNDVAFHFNPRFNENNRRVIVCNTKLDNNWGREERQSVFPF
ESGKPFKIQVLVEPDHFKVAVNDAHLLQYNHRVKKLNEISKLGISGDIDLTSASYTMI
;
_struct_ref.pdbx_align_begin           113 
# 
_struct_ref_seq.align_id                      1 
_struct_ref_seq.ref_id                        1 
_struct_ref_seq.pdbx_PDB_id_code              8S67 
_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                 138 
_struct_ref_seq.pdbx_seq_align_end_ins_code   ? 
_struct_ref_seq.pdbx_db_accession             P17931 
_struct_ref_seq.db_align_beg                  113 
_struct_ref_seq.pdbx_db_align_beg_ins_code    ? 
_struct_ref_seq.db_align_end                  250 
_struct_ref_seq.pdbx_db_align_end_ins_code    ? 
_struct_ref_seq.pdbx_auth_seq_align_beg       113 
_struct_ref_seq.pdbx_auth_seq_align_end       250 
# 
_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 
# 
loop_
_pdbx_struct_assembly_prop.biol_id 
_pdbx_struct_assembly_prop.type 
_pdbx_struct_assembly_prop.value 
_pdbx_struct_assembly_prop.details 
1 'ABSA (A^2)' 210  ? 
1 MORE         -3   ? 
1 'SSA (A^2)'  7270 ? 
# 
_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 
# 
_pdbx_struct_assembly_auth_evidence.id                     1 
_pdbx_struct_assembly_auth_evidence.assembly_id            1 
_pdbx_struct_assembly_auth_evidence.experimental_support   'gel filtration' 
_pdbx_struct_assembly_auth_evidence.details                ? 
# 
_pdbx_struct_oper_list.id                   1 
_pdbx_struct_oper_list.type                 'identity operation' 
_pdbx_struct_oper_list.name                 1_555 
_pdbx_struct_oper_list.symmetry_operation   x,y,z 
_pdbx_struct_oper_list.matrix[1][1]         1.0000000000 
_pdbx_struct_oper_list.matrix[1][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[1][3]         0.0000000000 
_pdbx_struct_oper_list.vector[1]            0.0000000000 
_pdbx_struct_oper_list.matrix[2][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[2][2]         1.0000000000 
_pdbx_struct_oper_list.matrix[2][3]         0.0000000000 
_pdbx_struct_oper_list.vector[2]            0.0000000000 
_pdbx_struct_oper_list.matrix[3][1]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][2]         0.0000000000 
_pdbx_struct_oper_list.matrix[3][3]         1.0000000000 
_pdbx_struct_oper_list.vector[3]            0.0000000000 
# 
_struct_conf.conf_type_id            HELX_P 
_struct_conf.id                      HELX_P1 
_struct_conf.pdbx_PDB_helix_id       AA1 
_struct_conf.beg_label_comp_id       LYS 
_struct_conf.beg_label_asym_id       A 
_struct_conf.beg_label_seq_id        115 
_struct_conf.pdbx_beg_PDB_ins_code   ? 
_struct_conf.end_label_comp_id       ILE 
_struct_conf.end_label_asym_id       A 
_struct_conf.end_label_seq_id        119 
_struct_conf.pdbx_end_PDB_ins_code   ? 
_struct_conf.beg_auth_comp_id        LYS 
_struct_conf.beg_auth_asym_id        A 
_struct_conf.beg_auth_seq_id         227 
_struct_conf.end_auth_comp_id        ILE 
_struct_conf.end_auth_asym_id        A 
_struct_conf.end_auth_seq_id         231 
_struct_conf.pdbx_PDB_helix_class    5 
_struct_conf.details                 ? 
_struct_conf.pdbx_PDB_helix_length   5 
# 
_struct_conf_type.id          HELX_P 
_struct_conf_type.criteria    ? 
_struct_conf_type.reference   ? 
# 
_struct_mon_prot_cis.pdbx_id                1 
_struct_mon_prot_cis.label_comp_id          VAL 
_struct_mon_prot_cis.label_seq_id           4 
_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           VAL 
_struct_mon_prot_cis.auth_seq_id            116 
_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    5 
_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     117 
_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       1.16 
# 
loop_
_struct_sheet.id 
_struct_sheet.type 
_struct_sheet.number_strands 
_struct_sheet.details 
AA1 ? 6 ? 
AA2 ? 6 ? 
AA3 ? 5 ? 
# 
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 
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 
AA3 1 2 ? anti-parallel 
AA3 2 3 ? anti-parallel 
AA3 3 4 ? anti-parallel 
AA3 4 5 ? 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 TYR A 6   ? PRO A 9   ? TYR A 118 PRO A 121 
AA1 2 LYS A 121 ? GLY A 126 ? LYS A 233 GLY A 238 
AA1 3 ILE A 33  ? ARG A 39  ? ILE A 145 ARG A 151 
AA1 4 ASP A 42  ? GLU A 53  ? ASP A 154 GLU A 165 
AA1 5 ARG A 56  ? LEU A 65  ? ARG A 168 LEU A 177 
AA1 6 ASN A 68  ? TRP A 69  ? ASN A 180 TRP A 181 
AA2 1 TYR A 6   ? PRO A 9   ? TYR A 118 PRO A 121 
AA2 2 LYS A 121 ? GLY A 126 ? LYS A 233 GLY A 238 
AA2 3 ILE A 33  ? ARG A 39  ? ILE A 145 ARG A 151 
AA2 4 ASP A 42  ? GLU A 53  ? ASP A 154 GLU A 165 
AA2 5 ARG A 56  ? LEU A 65  ? ARG A 168 LEU A 177 
AA2 6 GLU A 73  ? GLN A 75  ? GLU A 185 GLN A 187 
AA3 1 ALA A 104 ? ASN A 110 ? ALA A 216 ASN A 222 
AA3 2 HIS A 96  ? VAL A 101 ? HIS A 208 VAL A 213 
AA3 3 PRO A 85  ? VAL A 92  ? PRO A 197 VAL A 204 
AA3 4 MET A 18  ? VAL A 26  ? MET A 130 VAL A 138 
AA3 5 ILE A 128 ? MET A 137 ? ILE A 240 MET A 249 
# 
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 LEU A 8   ? N LEU A 120 O LEU A 122 ? O LEU A 234 
AA1 2 3 O LYS A 121 ? O LYS A 233 N GLN A 38  ? N GLN A 150 
AA1 3 4 N PHE A 37  ? N PHE A 149 O PHE A 45  ? O PHE A 157 
AA1 4 5 N ARG A 50  ? N ARG A 162 O VAL A 58  ? O VAL A 170 
AA1 5 6 N LEU A 65  ? N LEU A 177 O ASN A 68  ? O ASN A 180 
AA2 1 2 N LEU A 8   ? N LEU A 120 O LEU A 122 ? O LEU A 234 
AA2 2 3 O LYS A 121 ? O LYS A 233 N GLN A 38  ? N GLN A 150 
AA2 3 4 N PHE A 37  ? N PHE A 149 O PHE A 45  ? O PHE A 157 
AA2 4 5 N ARG A 50  ? N ARG A 162 O VAL A 58  ? O VAL A 170 
AA2 5 6 N ILE A 59  ? N ILE A 171 O GLN A 75  ? O GLN A 187 
AA3 1 2 O LEU A 107 ? O LEU A 219 N VAL A 99  ? N VAL A 211 
AA3 2 3 O LYS A 98  ? O LYS A 210 N LEU A 91  ? N LEU A 203 
AA3 3 4 O VAL A 90  ? O VAL A 202 N ILE A 20  ? N ILE A 132 
AA3 4 5 N LEU A 19  ? N LEU A 131 O THR A 136 ? O THR A 248 
# 
_pdbx_entry_details.entry_id                   8S67 
_pdbx_entry_details.nonpolymer_details         ? 
_pdbx_entry_details.sequence_details           ? 
_pdbx_entry_details.compound_details           ? 
_pdbx_entry_details.source_details             ? 
_pdbx_entry_details.has_ligand_of_interest     Y 
_pdbx_entry_details.has_protein_modification   N 
# 
_pdbx_validate_rmsd_angle.id                         1 
_pdbx_validate_rmsd_angle.PDB_model_num              1 
_pdbx_validate_rmsd_angle.auth_atom_id_1             NE 
_pdbx_validate_rmsd_angle.auth_asym_id_1             A 
_pdbx_validate_rmsd_angle.auth_comp_id_1             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_1              151 
_pdbx_validate_rmsd_angle.PDB_ins_code_1             ? 
_pdbx_validate_rmsd_angle.label_alt_id_1             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_2             CZ 
_pdbx_validate_rmsd_angle.auth_asym_id_2             A 
_pdbx_validate_rmsd_angle.auth_comp_id_2             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_2              151 
_pdbx_validate_rmsd_angle.PDB_ins_code_2             ? 
_pdbx_validate_rmsd_angle.label_alt_id_2             ? 
_pdbx_validate_rmsd_angle.auth_atom_id_3             NH1 
_pdbx_validate_rmsd_angle.auth_asym_id_3             A 
_pdbx_validate_rmsd_angle.auth_comp_id_3             ARG 
_pdbx_validate_rmsd_angle.auth_seq_id_3              151 
_pdbx_validate_rmsd_angle.PDB_ins_code_3             ? 
_pdbx_validate_rmsd_angle.label_alt_id_3             ? 
_pdbx_validate_rmsd_angle.angle_value                123.72 
_pdbx_validate_rmsd_angle.angle_target_value         120.30 
_pdbx_validate_rmsd_angle.angle_deviation            3.42 
_pdbx_validate_rmsd_angle.angle_standard_deviation   0.50 
_pdbx_validate_rmsd_angle.linker_flag                N 
# 
loop_
_pdbx_validate_torsion.id 
_pdbx_validate_torsion.PDB_model_num 
_pdbx_validate_torsion.auth_comp_id 
_pdbx_validate_torsion.auth_asym_id 
_pdbx_validate_torsion.auth_seq_id 
_pdbx_validate_torsion.PDB_ins_code 
_pdbx_validate_torsion.label_alt_id 
_pdbx_validate_torsion.phi 
_pdbx_validate_torsion.psi 
1 1 ARG A 129 ? ? 83.30   1.78  
2 1 ASN A 164 ? ? -156.15 75.70 
# 
_pdbx_distant_solvent_atoms.id                                1 
_pdbx_distant_solvent_atoms.PDB_model_num                     1 
_pdbx_distant_solvent_atoms.auth_atom_id                      O 
_pdbx_distant_solvent_atoms.label_alt_id                      ? 
_pdbx_distant_solvent_atoms.auth_asym_id                      A 
_pdbx_distant_solvent_atoms.auth_comp_id                      HOH 
_pdbx_distant_solvent_atoms.auth_seq_id                       575 
_pdbx_distant_solvent_atoms.PDB_ins_code                      ? 
_pdbx_distant_solvent_atoms.neighbor_macromolecule_distance   6.34 
_pdbx_distant_solvent_atoms.neighbor_ligand_distance          . 
# 
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 
A1H5A N1   N Y N 1   
A1H5A N3   N Y N 2   
A1H5A C4   C N N 3   
A1H5A C5   C Y N 4   
A1H5A C6   C N N 5   
A1H5A C7   C N R 6   
A1H5A C8   C N R 7   
A1H5A C10  C Y N 8   
A1H5A C13  C Y N 9   
A1H5A C15  C Y N 10  
A1H5A C17  C Y N 11  
A1H5A C20  C N N 12  
A1H5A C21  C N R 13  
A1H5A C22  C Y N 14  
A1H5A C1   C N N 15  
A1H5A C2   C N N 16  
A1H5A C3   C N N 17  
A1H5A N2   N Y N 18  
A1H5A C9   C N S 19  
A1H5A N4   N Y N 20  
A1H5A N5   N Y N 21  
A1H5A N6   N Y N 22  
A1H5A C11  C Y N 23  
A1H5A C12  C Y N 24  
A1H5A F1   F N N 25  
A1H5A C14  C Y N 26  
A1H5A F2   F N N 27  
A1H5A C16  C Y N 28  
A1H5A F3   F N N 29  
A1H5A O1   O N N 30  
A1H5A C18  C N N 31  
A1H5A O2   O N N 32  
A1H5A C19  C N R 33  
A1H5A O3   O N N 34  
A1H5A O4   O N N 35  
A1H5A H8   H N N 36  
A1H5A H9   H N N 37  
A1H5A H7   H N N 38  
A1H5A H10  H N N 39  
A1H5A H11  H N N 40  
A1H5A H12  H N N 41  
A1H5A H13  H N N 42  
A1H5A H17  H N N 43  
A1H5A H22  H N N 44  
A1H5A H23  H N N 45  
A1H5A H25  H N N 46  
A1H5A H27  H N N 47  
A1H5A H3   H N N 48  
A1H5A H1   H N N 49  
A1H5A H2   H N N 50  
A1H5A H6   H N N 51  
A1H5A H4   H N N 52  
A1H5A H5   H N N 53  
A1H5A H14  H N N 54  
A1H5A H15  H N N 55  
A1H5A H16  H N N 56  
A1H5A H19  H N N 57  
A1H5A H20  H N N 58  
A1H5A H18  H N N 59  
A1H5A H21  H N N 60  
A1H5A H24  H N N 61  
A1H5A H26  H N N 62  
ALA   N    N N N 63  
ALA   CA   C N S 64  
ALA   C    C N N 65  
ALA   O    O N N 66  
ALA   CB   C N N 67  
ALA   OXT  O N N 68  
ALA   H    H N N 69  
ALA   H2   H N N 70  
ALA   HA   H N N 71  
ALA   HB1  H N N 72  
ALA   HB2  H N N 73  
ALA   HB3  H N N 74  
ALA   HXT  H N N 75  
ARG   N    N N N 76  
ARG   CA   C N S 77  
ARG   C    C N N 78  
ARG   O    O N N 79  
ARG   CB   C N N 80  
ARG   CG   C N N 81  
ARG   CD   C N N 82  
ARG   NE   N N N 83  
ARG   CZ   C N N 84  
ARG   NH1  N N N 85  
ARG   NH2  N N N 86  
ARG   OXT  O N N 87  
ARG   H    H N N 88  
ARG   H2   H N N 89  
ARG   HA   H N N 90  
ARG   HB2  H N N 91  
ARG   HB3  H N N 92  
ARG   HG2  H N N 93  
ARG   HG3  H N N 94  
ARG   HD2  H N N 95  
ARG   HD3  H N N 96  
ARG   HE   H N N 97  
ARG   HH11 H N N 98  
ARG   HH12 H N N 99  
ARG   HH21 H N N 100 
ARG   HH22 H N N 101 
ARG   HXT  H N N 102 
ASN   N    N N N 103 
ASN   CA   C N S 104 
ASN   C    C N N 105 
ASN   O    O N N 106 
ASN   CB   C N N 107 
ASN   CG   C N N 108 
ASN   OD1  O N N 109 
ASN   ND2  N N N 110 
ASN   OXT  O N N 111 
ASN   H    H N N 112 
ASN   H2   H N N 113 
ASN   HA   H N N 114 
ASN   HB2  H N N 115 
ASN   HB3  H N N 116 
ASN   HD21 H N N 117 
ASN   HD22 H N N 118 
ASN   HXT  H N N 119 
ASP   N    N N N 120 
ASP   CA   C N S 121 
ASP   C    C N N 122 
ASP   O    O N N 123 
ASP   CB   C N N 124 
ASP   CG   C N N 125 
ASP   OD1  O N N 126 
ASP   OD2  O N N 127 
ASP   OXT  O N N 128 
ASP   H    H N N 129 
ASP   H2   H N N 130 
ASP   HA   H N N 131 
ASP   HB2  H N N 132 
ASP   HB3  H N N 133 
ASP   HD2  H N N 134 
ASP   HXT  H N N 135 
CYS   N    N N N 136 
CYS   CA   C N R 137 
CYS   C    C N N 138 
CYS   O    O N N 139 
CYS   CB   C N N 140 
CYS   SG   S N N 141 
CYS   OXT  O N N 142 
CYS   H    H N N 143 
CYS   H2   H N N 144 
CYS   HA   H N N 145 
CYS   HB2  H N N 146 
CYS   HB3  H N N 147 
CYS   HG   H N N 148 
CYS   HXT  H N N 149 
GLN   N    N N N 150 
GLN   CA   C N S 151 
GLN   C    C N N 152 
GLN   O    O N N 153 
GLN   CB   C N N 154 
GLN   CG   C N N 155 
GLN   CD   C N N 156 
GLN   OE1  O N N 157 
GLN   NE2  N N N 158 
GLN   OXT  O N N 159 
GLN   H    H N N 160 
GLN   H2   H N N 161 
GLN   HA   H N N 162 
GLN   HB2  H N N 163 
GLN   HB3  H N N 164 
GLN   HG2  H N N 165 
GLN   HG3  H N N 166 
GLN   HE21 H N N 167 
GLN   HE22 H N N 168 
GLN   HXT  H N N 169 
GLU   N    N N N 170 
GLU   CA   C N S 171 
GLU   C    C N N 172 
GLU   O    O N N 173 
GLU   CB   C N N 174 
GLU   CG   C N N 175 
GLU   CD   C N N 176 
GLU   OE1  O N N 177 
GLU   OE2  O N N 178 
GLU   OXT  O N N 179 
GLU   H    H N N 180 
GLU   H2   H N N 181 
GLU   HA   H N N 182 
GLU   HB2  H N N 183 
GLU   HB3  H N N 184 
GLU   HG2  H N N 185 
GLU   HG3  H N N 186 
GLU   HE2  H N N 187 
GLU   HXT  H N N 188 
GLY   N    N N N 189 
GLY   CA   C N N 190 
GLY   C    C N N 191 
GLY   O    O N N 192 
GLY   OXT  O N N 193 
GLY   H    H N N 194 
GLY   H2   H N N 195 
GLY   HA2  H N N 196 
GLY   HA3  H N N 197 
GLY   HXT  H N N 198 
HIS   N    N N N 199 
HIS   CA   C N S 200 
HIS   C    C N N 201 
HIS   O    O N N 202 
HIS   CB   C N N 203 
HIS   CG   C Y N 204 
HIS   ND1  N Y N 205 
HIS   CD2  C Y N 206 
HIS   CE1  C Y N 207 
HIS   NE2  N Y N 208 
HIS   OXT  O N N 209 
HIS   H    H N N 210 
HIS   H2   H N N 211 
HIS   HA   H N N 212 
HIS   HB2  H N N 213 
HIS   HB3  H N N 214 
HIS   HD1  H N N 215 
HIS   HD2  H N N 216 
HIS   HE1  H N N 217 
HIS   HE2  H N N 218 
HIS   HXT  H N N 219 
HOH   O    O N N 220 
HOH   H1   H N N 221 
HOH   H2   H N N 222 
ILE   N    N N N 223 
ILE   CA   C N S 224 
ILE   C    C N N 225 
ILE   O    O N N 226 
ILE   CB   C N S 227 
ILE   CG1  C N N 228 
ILE   CG2  C N N 229 
ILE   CD1  C N N 230 
ILE   OXT  O N N 231 
ILE   H    H N N 232 
ILE   H2   H N N 233 
ILE   HA   H N N 234 
ILE   HB   H N N 235 
ILE   HG12 H N N 236 
ILE   HG13 H N N 237 
ILE   HG21 H N N 238 
ILE   HG22 H N N 239 
ILE   HG23 H N N 240 
ILE   HD11 H N N 241 
ILE   HD12 H N N 242 
ILE   HD13 H N N 243 
ILE   HXT  H N N 244 
LEU   N    N N N 245 
LEU   CA   C N S 246 
LEU   C    C N N 247 
LEU   O    O N N 248 
LEU   CB   C N N 249 
LEU   CG   C N N 250 
LEU   CD1  C N N 251 
LEU   CD2  C N N 252 
LEU   OXT  O N N 253 
LEU   H    H N N 254 
LEU   H2   H N N 255 
LEU   HA   H N N 256 
LEU   HB2  H N N 257 
LEU   HB3  H N N 258 
LEU   HG   H N N 259 
LEU   HD11 H N N 260 
LEU   HD12 H N N 261 
LEU   HD13 H N N 262 
LEU   HD21 H N N 263 
LEU   HD22 H N N 264 
LEU   HD23 H N N 265 
LEU   HXT  H N N 266 
LYS   N    N N N 267 
LYS   CA   C N S 268 
LYS   C    C N N 269 
LYS   O    O N N 270 
LYS   CB   C N N 271 
LYS   CG   C N N 272 
LYS   CD   C N N 273 
LYS   CE   C N N 274 
LYS   NZ   N N N 275 
LYS   OXT  O N N 276 
LYS   H    H N N 277 
LYS   H2   H N N 278 
LYS   HA   H N N 279 
LYS   HB2  H N N 280 
LYS   HB3  H N N 281 
LYS   HG2  H N N 282 
LYS   HG3  H N N 283 
LYS   HD2  H N N 284 
LYS   HD3  H N N 285 
LYS   HE2  H N N 286 
LYS   HE3  H N N 287 
LYS   HZ1  H N N 288 
LYS   HZ2  H N N 289 
LYS   HZ3  H N N 290 
LYS   HXT  H N N 291 
MET   N    N N N 292 
MET   CA   C N S 293 
MET   C    C N N 294 
MET   O    O N N 295 
MET   CB   C N N 296 
MET   CG   C N N 297 
MET   SD   S N N 298 
MET   CE   C N N 299 
MET   OXT  O N N 300 
MET   H    H N N 301 
MET   H2   H N N 302 
MET   HA   H N N 303 
MET   HB2  H N N 304 
MET   HB3  H N N 305 
MET   HG2  H N N 306 
MET   HG3  H N N 307 
MET   HE1  H N N 308 
MET   HE2  H N N 309 
MET   HE3  H N N 310 
MET   HXT  H N N 311 
PHE   N    N N N 312 
PHE   CA   C N S 313 
PHE   C    C N N 314 
PHE   O    O N N 315 
PHE   CB   C N N 316 
PHE   CG   C Y N 317 
PHE   CD1  C Y N 318 
PHE   CD2  C Y N 319 
PHE   CE1  C Y N 320 
PHE   CE2  C Y N 321 
PHE   CZ   C Y N 322 
PHE   OXT  O N N 323 
PHE   H    H N N 324 
PHE   H2   H N N 325 
PHE   HA   H N N 326 
PHE   HB2  H N N 327 
PHE   HB3  H N N 328 
PHE   HD1  H N N 329 
PHE   HD2  H N N 330 
PHE   HE1  H N N 331 
PHE   HE2  H N N 332 
PHE   HZ   H N N 333 
PHE   HXT  H N N 334 
PRO   N    N N N 335 
PRO   CA   C N S 336 
PRO   C    C N N 337 
PRO   O    O N N 338 
PRO   CB   C N N 339 
PRO   CG   C N N 340 
PRO   CD   C N N 341 
PRO   OXT  O N N 342 
PRO   H    H N N 343 
PRO   HA   H N N 344 
PRO   HB2  H N N 345 
PRO   HB3  H N N 346 
PRO   HG2  H N N 347 
PRO   HG3  H N N 348 
PRO   HD2  H N N 349 
PRO   HD3  H N N 350 
PRO   HXT  H N N 351 
SCN   S    S N N 352 
SCN   C    C N N 353 
SCN   N    N N N 354 
SER   N    N N N 355 
SER   CA   C N S 356 
SER   C    C N N 357 
SER   O    O N N 358 
SER   CB   C N N 359 
SER   OG   O N N 360 
SER   OXT  O N N 361 
SER   H    H N N 362 
SER   H2   H N N 363 
SER   HA   H N N 364 
SER   HB2  H N N 365 
SER   HB3  H N N 366 
SER   HG   H N N 367 
SER   HXT  H N N 368 
THR   N    N N N 369 
THR   CA   C N S 370 
THR   C    C N N 371 
THR   O    O N N 372 
THR   CB   C N R 373 
THR   OG1  O N N 374 
THR   CG2  C N N 375 
THR   OXT  O N N 376 
THR   H    H N N 377 
THR   H2   H N N 378 
THR   HA   H N N 379 
THR   HB   H N N 380 
THR   HG1  H N N 381 
THR   HG21 H N N 382 
THR   HG22 H N N 383 
THR   HG23 H N N 384 
THR   HXT  H N N 385 
TRP   N    N N N 386 
TRP   CA   C N S 387 
TRP   C    C N N 388 
TRP   O    O N N 389 
TRP   CB   C N N 390 
TRP   CG   C Y N 391 
TRP   CD1  C Y N 392 
TRP   CD2  C Y N 393 
TRP   NE1  N Y N 394 
TRP   CE2  C Y N 395 
TRP   CE3  C Y N 396 
TRP   CZ2  C Y N 397 
TRP   CZ3  C Y N 398 
TRP   CH2  C Y N 399 
TRP   OXT  O N N 400 
TRP   H    H N N 401 
TRP   H2   H N N 402 
TRP   HA   H N N 403 
TRP   HB2  H N N 404 
TRP   HB3  H N N 405 
TRP   HD1  H N N 406 
TRP   HE1  H N N 407 
TRP   HE3  H N N 408 
TRP   HZ2  H N N 409 
TRP   HZ3  H N N 410 
TRP   HH2  H N N 411 
TRP   HXT  H N N 412 
TYR   N    N N N 413 
TYR   CA   C N S 414 
TYR   C    C N N 415 
TYR   O    O N N 416 
TYR   CB   C N N 417 
TYR   CG   C Y N 418 
TYR   CD1  C Y N 419 
TYR   CD2  C Y N 420 
TYR   CE1  C Y N 421 
TYR   CE2  C Y N 422 
TYR   CZ   C Y N 423 
TYR   OH   O N N 424 
TYR   OXT  O N N 425 
TYR   H    H N N 426 
TYR   H2   H N N 427 
TYR   HA   H N N 428 
TYR   HB2  H N N 429 
TYR   HB3  H N N 430 
TYR   HD1  H N N 431 
TYR   HD2  H N N 432 
TYR   HE1  H N N 433 
TYR   HE2  H N N 434 
TYR   HH   H N N 435 
TYR   HXT  H N N 436 
VAL   N    N N N 437 
VAL   CA   C N S 438 
VAL   C    C N N 439 
VAL   O    O N N 440 
VAL   CB   C N N 441 
VAL   CG1  C N N 442 
VAL   CG2  C N N 443 
VAL   OXT  O N N 444 
VAL   H    H N N 445 
VAL   H2   H N N 446 
VAL   HA   H N N 447 
VAL   HB   H N N 448 
VAL   HG11 H N N 449 
VAL   HG12 H N N 450 
VAL   HG13 H N N 451 
VAL   HG21 H N N 452 
VAL   HG22 H N N 453 
VAL   HG23 H N N 454 
VAL   HXT  H N N 455 
# 
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 
A1H5A C1  C2   sing N N 1   
A1H5A C2  C3   sing N N 2   
A1H5A C2  C4   sing N N 3   
A1H5A C2  N1   sing N N 4   
A1H5A N1  N2   sing Y N 5   
A1H5A N2  N3   doub Y N 6   
A1H5A N3  C5   sing Y N 7   
A1H5A C5  C6   sing N N 8   
A1H5A C6  C7   sing N N 9   
A1H5A C7  C8   sing N N 10  
A1H5A C8  C9   sing N N 11  
A1H5A C9  N4   sing N N 12  
A1H5A N4  N5   sing Y N 13  
A1H5A N5  N6   doub Y N 14  
A1H5A N6  C10  sing Y N 15  
A1H5A C10 C11  sing N N 16  
A1H5A C11 C12  doub Y N 17  
A1H5A C12 C13  sing Y N 18  
A1H5A C13 F1   sing N N 19  
A1H5A C11 C14  sing Y N 20  
A1H5A C14 C15  doub Y N 21  
A1H5A C15 F2   sing N N 22  
A1H5A C15 C16  sing Y N 23  
A1H5A C16 F3   sing N N 24  
A1H5A C10 C17  doub Y N 25  
A1H5A C8  O1   sing N N 26  
A1H5A O1  C18  sing N N 27  
A1H5A C7  O2   sing N N 28  
A1H5A O2  C19  sing N N 29  
A1H5A C19 C20  sing N N 30  
A1H5A C20 O3   sing N N 31  
A1H5A C19 C21  sing N N 32  
A1H5A C21 O4   sing N N 33  
A1H5A C5  C22  doub Y N 34  
A1H5A C22 N1   sing Y N 35  
A1H5A C21 C9   sing N N 36  
A1H5A C17 N4   sing Y N 37  
A1H5A C16 C13  doub Y N 38  
A1H5A C4  H8   sing N N 39  
A1H5A C4  H9   sing N N 40  
A1H5A C4  H7   sing N N 41  
A1H5A C6  H10  sing N N 42  
A1H5A C6  H11  sing N N 43  
A1H5A C7  H12  sing N N 44  
A1H5A C8  H13  sing N N 45  
A1H5A C17 H17  sing N N 46  
A1H5A C20 H22  sing N N 47  
A1H5A C20 H23  sing N N 48  
A1H5A C21 H25  sing N N 49  
A1H5A C22 H27  sing N N 50  
A1H5A C1  H3   sing N N 51  
A1H5A C1  H1   sing N N 52  
A1H5A C1  H2   sing N N 53  
A1H5A C3  H6   sing N N 54  
A1H5A C3  H4   sing N N 55  
A1H5A C3  H5   sing N N 56  
A1H5A C9  H14  sing N N 57  
A1H5A C12 H15  sing N N 58  
A1H5A C14 H16  sing N N 59  
A1H5A C18 H19  sing N N 60  
A1H5A C18 H20  sing N N 61  
A1H5A C18 H18  sing N N 62  
A1H5A C19 H21  sing N N 63  
A1H5A O3  H24  sing N N 64  
A1H5A O4  H26  sing N N 65  
ALA   N   CA   sing N N 66  
ALA   N   H    sing N N 67  
ALA   N   H2   sing N N 68  
ALA   CA  C    sing N N 69  
ALA   CA  CB   sing N N 70  
ALA   CA  HA   sing N N 71  
ALA   C   O    doub N N 72  
ALA   C   OXT  sing N N 73  
ALA   CB  HB1  sing N N 74  
ALA   CB  HB2  sing N N 75  
ALA   CB  HB3  sing N N 76  
ALA   OXT HXT  sing N N 77  
ARG   N   CA   sing N N 78  
ARG   N   H    sing N N 79  
ARG   N   H2   sing N N 80  
ARG   CA  C    sing N N 81  
ARG   CA  CB   sing N N 82  
ARG   CA  HA   sing N N 83  
ARG   C   O    doub N N 84  
ARG   C   OXT  sing N N 85  
ARG   CB  CG   sing N N 86  
ARG   CB  HB2  sing N N 87  
ARG   CB  HB3  sing N N 88  
ARG   CG  CD   sing N N 89  
ARG   CG  HG2  sing N N 90  
ARG   CG  HG3  sing N N 91  
ARG   CD  NE   sing N N 92  
ARG   CD  HD2  sing N N 93  
ARG   CD  HD3  sing N N 94  
ARG   NE  CZ   sing N N 95  
ARG   NE  HE   sing N N 96  
ARG   CZ  NH1  sing N N 97  
ARG   CZ  NH2  doub N N 98  
ARG   NH1 HH11 sing N N 99  
ARG   NH1 HH12 sing N N 100 
ARG   NH2 HH21 sing N N 101 
ARG   NH2 HH22 sing N N 102 
ARG   OXT HXT  sing N N 103 
ASN   N   CA   sing N N 104 
ASN   N   H    sing N N 105 
ASN   N   H2   sing N N 106 
ASN   CA  C    sing N N 107 
ASN   CA  CB   sing N N 108 
ASN   CA  HA   sing N N 109 
ASN   C   O    doub N N 110 
ASN   C   OXT  sing N N 111 
ASN   CB  CG   sing N N 112 
ASN   CB  HB2  sing N N 113 
ASN   CB  HB3  sing N N 114 
ASN   CG  OD1  doub N N 115 
ASN   CG  ND2  sing N N 116 
ASN   ND2 HD21 sing N N 117 
ASN   ND2 HD22 sing N N 118 
ASN   OXT HXT  sing N N 119 
ASP   N   CA   sing N N 120 
ASP   N   H    sing N N 121 
ASP   N   H2   sing N N 122 
ASP   CA  C    sing N N 123 
ASP   CA  CB   sing N N 124 
ASP   CA  HA   sing N N 125 
ASP   C   O    doub N N 126 
ASP   C   OXT  sing N N 127 
ASP   CB  CG   sing N N 128 
ASP   CB  HB2  sing N N 129 
ASP   CB  HB3  sing N N 130 
ASP   CG  OD1  doub N N 131 
ASP   CG  OD2  sing N N 132 
ASP   OD2 HD2  sing N N 133 
ASP   OXT HXT  sing N N 134 
CYS   N   CA   sing N N 135 
CYS   N   H    sing N N 136 
CYS   N   H2   sing N N 137 
CYS   CA  C    sing N N 138 
CYS   CA  CB   sing N N 139 
CYS   CA  HA   sing N N 140 
CYS   C   O    doub N N 141 
CYS   C   OXT  sing N N 142 
CYS   CB  SG   sing N N 143 
CYS   CB  HB2  sing N N 144 
CYS   CB  HB3  sing N N 145 
CYS   SG  HG   sing N N 146 
CYS   OXT HXT  sing N N 147 
GLN   N   CA   sing N N 148 
GLN   N   H    sing N N 149 
GLN   N   H2   sing N N 150 
GLN   CA  C    sing N N 151 
GLN   CA  CB   sing N N 152 
GLN   CA  HA   sing N N 153 
GLN   C   O    doub N N 154 
GLN   C   OXT  sing N N 155 
GLN   CB  CG   sing N N 156 
GLN   CB  HB2  sing N N 157 
GLN   CB  HB3  sing N N 158 
GLN   CG  CD   sing N N 159 
GLN   CG  HG2  sing N N 160 
GLN   CG  HG3  sing N N 161 
GLN   CD  OE1  doub N N 162 
GLN   CD  NE2  sing N N 163 
GLN   NE2 HE21 sing N N 164 
GLN   NE2 HE22 sing N N 165 
GLN   OXT HXT  sing N N 166 
GLU   N   CA   sing N N 167 
GLU   N   H    sing N N 168 
GLU   N   H2   sing N N 169 
GLU   CA  C    sing N N 170 
GLU   CA  CB   sing N N 171 
GLU   CA  HA   sing N N 172 
GLU   C   O    doub N N 173 
GLU   C   OXT  sing N N 174 
GLU   CB  CG   sing N N 175 
GLU   CB  HB2  sing N N 176 
GLU   CB  HB3  sing N N 177 
GLU   CG  CD   sing N N 178 
GLU   CG  HG2  sing N N 179 
GLU   CG  HG3  sing N N 180 
GLU   CD  OE1  doub N N 181 
GLU   CD  OE2  sing N N 182 
GLU   OE2 HE2  sing N N 183 
GLU   OXT HXT  sing N N 184 
GLY   N   CA   sing N N 185 
GLY   N   H    sing N N 186 
GLY   N   H2   sing N N 187 
GLY   CA  C    sing N N 188 
GLY   CA  HA2  sing N N 189 
GLY   CA  HA3  sing N N 190 
GLY   C   O    doub N N 191 
GLY   C   OXT  sing N N 192 
GLY   OXT HXT  sing N N 193 
HIS   N   CA   sing N N 194 
HIS   N   H    sing N N 195 
HIS   N   H2   sing N N 196 
HIS   CA  C    sing N N 197 
HIS   CA  CB   sing N N 198 
HIS   CA  HA   sing N N 199 
HIS   C   O    doub N N 200 
HIS   C   OXT  sing N N 201 
HIS   CB  CG   sing N N 202 
HIS   CB  HB2  sing N N 203 
HIS   CB  HB3  sing N N 204 
HIS   CG  ND1  sing Y N 205 
HIS   CG  CD2  doub Y N 206 
HIS   ND1 CE1  doub Y N 207 
HIS   ND1 HD1  sing N N 208 
HIS   CD2 NE2  sing Y N 209 
HIS   CD2 HD2  sing N N 210 
HIS   CE1 NE2  sing Y N 211 
HIS   CE1 HE1  sing N N 212 
HIS   NE2 HE2  sing N N 213 
HIS   OXT HXT  sing N N 214 
HOH   O   H1   sing N N 215 
HOH   O   H2   sing N N 216 
ILE   N   CA   sing N N 217 
ILE   N   H    sing N N 218 
ILE   N   H2   sing N N 219 
ILE   CA  C    sing N N 220 
ILE   CA  CB   sing N N 221 
ILE   CA  HA   sing N N 222 
ILE   C   O    doub N N 223 
ILE   C   OXT  sing N N 224 
ILE   CB  CG1  sing N N 225 
ILE   CB  CG2  sing N N 226 
ILE   CB  HB   sing N N 227 
ILE   CG1 CD1  sing N N 228 
ILE   CG1 HG12 sing N N 229 
ILE   CG1 HG13 sing N N 230 
ILE   CG2 HG21 sing N N 231 
ILE   CG2 HG22 sing N N 232 
ILE   CG2 HG23 sing N N 233 
ILE   CD1 HD11 sing N N 234 
ILE   CD1 HD12 sing N N 235 
ILE   CD1 HD13 sing N N 236 
ILE   OXT HXT  sing N N 237 
LEU   N   CA   sing N N 238 
LEU   N   H    sing N N 239 
LEU   N   H2   sing N N 240 
LEU   CA  C    sing N N 241 
LEU   CA  CB   sing N N 242 
LEU   CA  HA   sing N N 243 
LEU   C   O    doub N N 244 
LEU   C   OXT  sing N N 245 
LEU   CB  CG   sing N N 246 
LEU   CB  HB2  sing N N 247 
LEU   CB  HB3  sing N N 248 
LEU   CG  CD1  sing N N 249 
LEU   CG  CD2  sing N N 250 
LEU   CG  HG   sing N N 251 
LEU   CD1 HD11 sing N N 252 
LEU   CD1 HD12 sing N N 253 
LEU   CD1 HD13 sing N N 254 
LEU   CD2 HD21 sing N N 255 
LEU   CD2 HD22 sing N N 256 
LEU   CD2 HD23 sing N N 257 
LEU   OXT HXT  sing N N 258 
LYS   N   CA   sing N N 259 
LYS   N   H    sing N N 260 
LYS   N   H2   sing N N 261 
LYS   CA  C    sing N N 262 
LYS   CA  CB   sing N N 263 
LYS   CA  HA   sing N N 264 
LYS   C   O    doub N N 265 
LYS   C   OXT  sing N N 266 
LYS   CB  CG   sing N N 267 
LYS   CB  HB2  sing N N 268 
LYS   CB  HB3  sing N N 269 
LYS   CG  CD   sing N N 270 
LYS   CG  HG2  sing N N 271 
LYS   CG  HG3  sing N N 272 
LYS   CD  CE   sing N N 273 
LYS   CD  HD2  sing N N 274 
LYS   CD  HD3  sing N N 275 
LYS   CE  NZ   sing N N 276 
LYS   CE  HE2  sing N N 277 
LYS   CE  HE3  sing N N 278 
LYS   NZ  HZ1  sing N N 279 
LYS   NZ  HZ2  sing N N 280 
LYS   NZ  HZ3  sing N N 281 
LYS   OXT HXT  sing N N 282 
MET   N   CA   sing N N 283 
MET   N   H    sing N N 284 
MET   N   H2   sing N N 285 
MET   CA  C    sing N N 286 
MET   CA  CB   sing N N 287 
MET   CA  HA   sing N N 288 
MET   C   O    doub N N 289 
MET   C   OXT  sing N N 290 
MET   CB  CG   sing N N 291 
MET   CB  HB2  sing N N 292 
MET   CB  HB3  sing N N 293 
MET   CG  SD   sing N N 294 
MET   CG  HG2  sing N N 295 
MET   CG  HG3  sing N N 296 
MET   SD  CE   sing N N 297 
MET   CE  HE1  sing N N 298 
MET   CE  HE2  sing N N 299 
MET   CE  HE3  sing N N 300 
MET   OXT HXT  sing N N 301 
PHE   N   CA   sing N N 302 
PHE   N   H    sing N N 303 
PHE   N   H2   sing N N 304 
PHE   CA  C    sing N N 305 
PHE   CA  CB   sing N N 306 
PHE   CA  HA   sing N N 307 
PHE   C   O    doub N N 308 
PHE   C   OXT  sing N N 309 
PHE   CB  CG   sing N N 310 
PHE   CB  HB2  sing N N 311 
PHE   CB  HB3  sing N N 312 
PHE   CG  CD1  doub Y N 313 
PHE   CG  CD2  sing Y N 314 
PHE   CD1 CE1  sing Y N 315 
PHE   CD1 HD1  sing N N 316 
PHE   CD2 CE2  doub Y N 317 
PHE   CD2 HD2  sing N N 318 
PHE   CE1 CZ   doub Y N 319 
PHE   CE1 HE1  sing N N 320 
PHE   CE2 CZ   sing Y N 321 
PHE   CE2 HE2  sing N N 322 
PHE   CZ  HZ   sing N N 323 
PHE   OXT HXT  sing N N 324 
PRO   N   CA   sing N N 325 
PRO   N   CD   sing N N 326 
PRO   N   H    sing N N 327 
PRO   CA  C    sing N N 328 
PRO   CA  CB   sing N N 329 
PRO   CA  HA   sing N N 330 
PRO   C   O    doub N N 331 
PRO   C   OXT  sing N N 332 
PRO   CB  CG   sing N N 333 
PRO   CB  HB2  sing N N 334 
PRO   CB  HB3  sing N N 335 
PRO   CG  CD   sing N N 336 
PRO   CG  HG2  sing N N 337 
PRO   CG  HG3  sing N N 338 
PRO   CD  HD2  sing N N 339 
PRO   CD  HD3  sing N N 340 
PRO   OXT HXT  sing N N 341 
SCN   S   C    sing N N 342 
SCN   C   N    trip N N 343 
SER   N   CA   sing N N 344 
SER   N   H    sing N N 345 
SER   N   H2   sing N N 346 
SER   CA  C    sing N N 347 
SER   CA  CB   sing N N 348 
SER   CA  HA   sing N N 349 
SER   C   O    doub N N 350 
SER   C   OXT  sing N N 351 
SER   CB  OG   sing N N 352 
SER   CB  HB2  sing N N 353 
SER   CB  HB3  sing N N 354 
SER   OG  HG   sing N N 355 
SER   OXT HXT  sing N N 356 
THR   N   CA   sing N N 357 
THR   N   H    sing N N 358 
THR   N   H2   sing N N 359 
THR   CA  C    sing N N 360 
THR   CA  CB   sing N N 361 
THR   CA  HA   sing N N 362 
THR   C   O    doub N N 363 
THR   C   OXT  sing N N 364 
THR   CB  OG1  sing N N 365 
THR   CB  CG2  sing N N 366 
THR   CB  HB   sing N N 367 
THR   OG1 HG1  sing N N 368 
THR   CG2 HG21 sing N N 369 
THR   CG2 HG22 sing N N 370 
THR   CG2 HG23 sing N N 371 
THR   OXT HXT  sing N N 372 
TRP   N   CA   sing N N 373 
TRP   N   H    sing N N 374 
TRP   N   H2   sing N N 375 
TRP   CA  C    sing N N 376 
TRP   CA  CB   sing N N 377 
TRP   CA  HA   sing N N 378 
TRP   C   O    doub N N 379 
TRP   C   OXT  sing N N 380 
TRP   CB  CG   sing N N 381 
TRP   CB  HB2  sing N N 382 
TRP   CB  HB3  sing N N 383 
TRP   CG  CD1  doub Y N 384 
TRP   CG  CD2  sing Y N 385 
TRP   CD1 NE1  sing Y N 386 
TRP   CD1 HD1  sing N N 387 
TRP   CD2 CE2  doub Y N 388 
TRP   CD2 CE3  sing Y N 389 
TRP   NE1 CE2  sing Y N 390 
TRP   NE1 HE1  sing N N 391 
TRP   CE2 CZ2  sing Y N 392 
TRP   CE3 CZ3  doub Y N 393 
TRP   CE3 HE3  sing N N 394 
TRP   CZ2 CH2  doub Y N 395 
TRP   CZ2 HZ2  sing N N 396 
TRP   CZ3 CH2  sing Y N 397 
TRP   CZ3 HZ3  sing N N 398 
TRP   CH2 HH2  sing N N 399 
TRP   OXT HXT  sing N N 400 
TYR   N   CA   sing N N 401 
TYR   N   H    sing N N 402 
TYR   N   H2   sing N N 403 
TYR   CA  C    sing N N 404 
TYR   CA  CB   sing N N 405 
TYR   CA  HA   sing N N 406 
TYR   C   O    doub N N 407 
TYR   C   OXT  sing N N 408 
TYR   CB  CG   sing N N 409 
TYR   CB  HB2  sing N N 410 
TYR   CB  HB3  sing N N 411 
TYR   CG  CD1  doub Y N 412 
TYR   CG  CD2  sing Y N 413 
TYR   CD1 CE1  sing Y N 414 
TYR   CD1 HD1  sing N N 415 
TYR   CD2 CE2  doub Y N 416 
TYR   CD2 HD2  sing N N 417 
TYR   CE1 CZ   doub Y N 418 
TYR   CE1 HE1  sing N N 419 
TYR   CE2 CZ   sing Y N 420 
TYR   CE2 HE2  sing N N 421 
TYR   CZ  OH   sing N N 422 
TYR   OH  HH   sing N N 423 
TYR   OXT HXT  sing N N 424 
VAL   N   CA   sing N N 425 
VAL   N   H    sing N N 426 
VAL   N   H2   sing N N 427 
VAL   CA  C    sing N N 428 
VAL   CA  CB   sing N N 429 
VAL   CA  HA   sing N N 430 
VAL   C   O    doub N N 431 
VAL   C   OXT  sing N N 432 
VAL   CB  CG1  sing N N 433 
VAL   CB  CG2  sing N N 434 
VAL   CB  HB   sing N N 435 
VAL   CG1 HG11 sing N N 436 
VAL   CG1 HG12 sing N N 437 
VAL   CG1 HG13 sing N N 438 
VAL   CG2 HG21 sing N N 439 
VAL   CG2 HG22 sing N N 440 
VAL   CG2 HG23 sing N N 441 
VAL   OXT HXT  sing N N 442 
# 
_pdbx_audit_support.funding_organization   'Not funded' 
_pdbx_audit_support.country                ? 
_pdbx_audit_support.grant_number           ? 
_pdbx_audit_support.ordinal                1 
# 
_pdbx_initial_refinement_model.id               1 
_pdbx_initial_refinement_model.entity_id_list   ? 
_pdbx_initial_refinement_model.type             'experimental model' 
_pdbx_initial_refinement_model.source_name      Other 
_pdbx_initial_refinement_model.accession_code   ? 
_pdbx_initial_refinement_model.details          'Internal structure' 
# 
_atom_sites.entry_id                    8S67 
_atom_sites.Cartn_transf_matrix[1][1]   ? 
_atom_sites.Cartn_transf_matrix[1][2]   ? 
_atom_sites.Cartn_transf_matrix[1][3]   ? 
_atom_sites.Cartn_transf_matrix[2][1]   ? 
_atom_sites.Cartn_transf_matrix[2][2]   ? 
_atom_sites.Cartn_transf_matrix[2][3]   ? 
_atom_sites.Cartn_transf_matrix[3][1]   ? 
_atom_sites.Cartn_transf_matrix[3][2]   ? 
_atom_sites.Cartn_transf_matrix[3][3]   ? 
_atom_sites.Cartn_transf_vector[1]      ? 
_atom_sites.Cartn_transf_vector[2]      ? 
_atom_sites.Cartn_transf_vector[3]      ? 
_atom_sites.Cartn_transform_axes        ? 
_atom_sites.fract_transf_matrix[1][1]   0.027436 
_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]   0.017579 
_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]   0.016352 
_atom_sites.fract_transf_vector[1]      0.00000 
_atom_sites.fract_transf_vector[2]      0.00000 
_atom_sites.fract_transf_vector[3]      0.00000 
_atom_sites.solution_primary            ? 
_atom_sites.solution_secondary          ? 
_atom_sites.solution_hydrogens          ? 
_atom_sites.special_details             ? 
# 
loop_
_atom_type.symbol 
_atom_type.pdbx_scat_Z 
_atom_type.pdbx_N_electrons 
_atom_type.scat_Cromer_Mann_a1 
_atom_type.scat_Cromer_Mann_b1 
_atom_type.scat_Cromer_Mann_a2 
_atom_type.scat_Cromer_Mann_b2 
_atom_type.scat_Cromer_Mann_a3 
_atom_type.scat_Cromer_Mann_b3 
_atom_type.scat_Cromer_Mann_a4 
_atom_type.scat_Cromer_Mann_b4 
_atom_type.scat_Cromer_Mann_c 
C 6  6  2.3103  20.8439 1.0201 10.2075 1.5888 0.5687  0.8651 51.6512 0.2156   
F ?  ?  ?       ?       ?      ?       ?      ?       ?      ?       ?        
H 1  1  0.4930  10.5109 0.3229 26.1257 0.1402 3.1424  0.0408 57.7997 0.0030   
N 7  7  12.2220 0.0057  3.1346 9.8933  2.0141 28.9975 1.1672 0.5826  -11.5379 
O 8  8  3.0487  13.2771 2.2870 5.7011  1.5464 0.3239  0.8671 32.9089 0.2508   
S 16 16 6.9054  1.4679  5.2035 22.2151 1.4379 0.2536  1.5863 56.1720 1.0555   
# 
loop_
_atom_site.group_PDB 
_atom_site.id 
_atom_site.type_symbol 
_atom_site.label_atom_id 
_atom_site.label_alt_id 
_atom_site.label_comp_id 
_atom_site.label_asym_id 
_atom_site.label_entity_id 
_atom_site.label_seq_id 
_atom_site.pdbx_PDB_ins_code 
_atom_site.Cartn_x 
_atom_site.Cartn_y 
_atom_site.Cartn_z 
_atom_site.occupancy 
_atom_site.B_iso_or_equiv 
_atom_site.pdbx_formal_charge 
_atom_site.auth_seq_id 
_atom_site.auth_comp_id 
_atom_site.auth_asym_id 
_atom_site.auth_atom_id 
_atom_site.pdbx_PDB_model_num 
_atom_site.calc_flag 
ATOM   1    N N    . PRO   A 1 1   ? 6.333   4.085   9.134   1.000 23.004 0 113 PRO   A N    1 ? 
ATOM   2    C CA   . PRO   A 1 1   ? 5.065   4.550   8.566   1.000 20.082 0 113 PRO   A CA   1 ? 
ATOM   3    C C    . PRO   A 1 1   ? 4.903   4.060   7.129   1.000 16.615 0 113 PRO   A C    1 ? 
ATOM   4    O O    . PRO   A 1 1   ? 5.853   3.662   6.470   1.000 20.271 0 113 PRO   A O    1 ? 
ATOM   5    C CB   . PRO   A 1 1   ? 5.109   6.083   8.653   1.000 22.895 0 113 PRO   A CB   1 ? 
ATOM   6    C CG   . PRO   A 1 1   ? 6.602   6.350   8.639   1.000 25.398 0 113 PRO   A CG   1 ? 
ATOM   7    C CD   . PRO   A 1 1   ? 7.205   5.204   9.436   1.000 25.412 0 113 PRO   A CD   1 ? 
ATOM   8    H H    . PRO   A 1 1   ? 6.529   3.259   9.268   1.000 22.688 0 113 PRO   A H    1 c 
ATOM   9    H HA   . PRO   A 1 1   ? 4.322   4.209   9.124   1.000 19.941 0 113 PRO   A HA   1 c 
ATOM   10   H HB2  . PRO   A 1 1   ? 4.663   6.499   7.878   1.000 22.509 0 113 PRO   A HB2  1 c 
ATOM   11   H HB3  . PRO   A 1 1   ? 4.696   6.405   9.488   1.000 22.568 0 113 PRO   A HB3  1 c 
ATOM   12   H HG2  . PRO   A 1 1   ? 6.947   6.355   7.721   1.000 24.972 0 113 PRO   A HG2  1 c 
ATOM   13   H HG3  . PRO   A 1 1   ? 6.807   7.211   9.059   1.000 24.910 0 113 PRO   A HG3  1 c 
ATOM   14   H HD2  . PRO   A 1 1   ? 8.127   5.021   9.149   1.000 24.958 0 113 PRO   A HD2  1 c 
ATOM   15   H HD3  . PRO   A 1 1   ? 7.201   5.404   10.397  1.000 24.869 0 113 PRO   A HD3  1 c 
ATOM   16   N N    . LEU   A 1 2   ? 3.649   4.051   6.697   1.000 11.718 0 114 LEU   A N    1 ? 
ATOM   17   C CA   . LEU   A 1 2   ? 3.229   3.645   5.373   1.000 10.997 0 114 LEU   A CA   1 ? 
ATOM   18   C C    . LEU   A 1 2   ? 2.675   4.875   4.667   1.000 10.846 0 114 LEU   A C    1 ? 
ATOM   19   O O    . LEU   A 1 2   ? 1.906   5.640   5.264   1.000 13.673 0 114 LEU   A O    1 ? 
ATOM   20   C CB   . LEU   A 1 2   ? 2.195   2.542   5.502   1.000 11.950 0 114 LEU   A CB   1 ? 
ATOM   21   C CG   . LEU   A 1 2   ? 2.652   1.216   6.122   1.000 13.014 0 114 LEU   A CG   1 ? 
ATOM   22   C CD1  . LEU   A 1 2   ? 1.481   0.279   6.211   1.000 13.723 0 114 LEU   A CD1  1 ? 
ATOM   23   C CD2  . LEU   A 1 2   ? 3.765   0.528   5.352   1.000 15.370 0 114 LEU   A CD2  1 ? 
ATOM   24   H H    . LEU   A 1 2   ? 2.999   4.325   7.279   1.000 12.227 0 114 LEU   A H    1 c 
ATOM   25   H HA   . LEU   A 1 2   ? 4.015   3.308   4.874   1.000 11.329 0 114 LEU   A HA   1 c 
ATOM   26   H HB2  . LEU   A 1 2   ? 1.447   2.890   6.040   1.000 11.818 0 114 LEU   A HB2  1 c 
ATOM   27   H HB3  . LEU   A 1 2   ? 1.838   2.354   4.604   1.000 11.923 0 114 LEU   A HB3  1 c 
ATOM   28   H HG   . LEU   A 1 2   ? 2.977   1.397   7.042   1.000 13.179 0 114 LEU   A HG   1 c 
ATOM   29   H HD11 . LEU   A 1 2   ? 0.798   0.666   6.783   1.000 13.478 0 114 LEU   A HD11 1 c 
ATOM   30   H HD12 . LEU   A 1 2   ? 1.772   -0.570  6.584   1.000 13.572 0 114 LEU   A HD12 1 c 
ATOM   31   H HD13 . LEU   A 1 2   ? 1.114   0.133   5.323   1.000 13.583 0 114 LEU   A HD13 1 c 
ATOM   32   H HD21 . LEU   A 1 2   ? 4.553   1.097   5.339   1.000 14.676 0 114 LEU   A HD21 1 c 
ATOM   33   H HD22 . LEU   A 1 2   ? 3.474   0.360   4.440   1.000 14.716 0 114 LEU   A HD22 1 c 
ATOM   34   H HD23 . LEU   A 1 2   ? 3.984   -0.316  5.781   1.000 14.736 0 114 LEU   A HD23 1 c 
ATOM   35   N N    . ILE   A 1 3   ? 2.982   5.026   3.384   1.000 9.991  0 115 ILE   A N    1 ? 
ATOM   36   C CA   . ILE   A 1 3   ? 2.438   6.113   2.612   1.000 10.166 0 115 ILE   A CA   1 ? 
ATOM   37   C C    . ILE   A 1 3   ? 0.957   5.889   2.344   1.000 9.234  0 115 ILE   A C    1 ? 
ATOM   38   O O    . ILE   A 1 3   ? 0.594   4.795   1.943   1.000 12.214 0 115 ILE   A O    1 ? 
ATOM   39   C CB   . ILE   A 1 3   ? 3.239   6.308   1.309   1.000 13.307 0 115 ILE   A CB   1 ? 
ATOM   40   C CG1  . ILE   A 1 3   ? 4.656   6.776   1.673   1.000 14.735 0 115 ILE   A CG1  1 ? 
ATOM   41   C CG2  . ILE   A 1 3   ? 2.546   7.313   0.379   1.000 15.130 0 115 ILE   A CG2  1 ? 
ATOM   42   H H    . ILE   A 1 3   ? 3.546   4.432   2.979   1.000 10.132 0 115 ILE   A H    1 c 
ATOM   43   H HA   . ILE   A 1 3   ? 2.530   6.930   3.141   1.000 10.262 0 115 ILE   A HA   1 c 
ATOM   44   H HB   . ILE   A 1 3   ? 3.303   5.446   0.850   1.000 13.063 0 115 ILE   A HB   1 c 
ATOM   45   H HG12 . ILE   A 1 3   ? 5.063   6.084   2.236   0.000 15.418 0 115 ILE   A HG12 1 c 
ATOM   46   H HG13 . ILE   A 1 3   ? 4.591   7.616   2.171   1.000 14.293 0 115 ILE   A HG13 1 c 
ATOM   47   H HG21 . ILE   A 1 3   ? 3.118   7.496   -0.385  1.000 14.674 0 115 ILE   A HG21 1 c 
ATOM   48   H HG22 . ILE   A 1 3   ? 2.379   8.141   0.861   1.000 14.719 0 115 ILE   A HG22 1 c 
ATOM   49   H HG23 . ILE   A 1 3   ? 1.702   6.946   0.067   1.000 14.623 0 115 ILE   A HG23 1 c 
ATOM   50   N N    . VAL   A 1 4   ? 0.168   6.948   2.466   1.000 9.299  0 116 VAL   A N    1 ? 
ATOM   51   C CA   . VAL   A 1 4   ? -1.254  6.926   2.191   1.000 8.785  0 116 VAL   A CA   1 ? 
ATOM   52   C C    . VAL   A 1 4   ? -1.510  7.744   0.935   1.000 9.097  0 116 VAL   A C    1 ? 
ATOM   53   O O    . VAL   A 1 4   ? -0.980  8.837   0.793   1.000 10.534 0 116 VAL   A O    1 ? 
ATOM   54   C CB   . VAL   A 1 4   ? -1.937  7.525   3.440   1.000 10.662 0 116 VAL   A CB   1 ? 
ATOM   55   C CG1  . VAL   A 1 4   ? -3.435  7.669   3.251   1.000 11.297 0 116 VAL   A CG1  1 ? 
ATOM   56   C CG2  . VAL   A 1 4   ? -1.609  6.723   4.682   1.000 12.105 0 116 VAL   A CG2  1 ? 
ATOM   57   H HA   . VAL   A 1 4   ? -1.549  6.008   2.064   1.000 9.096  0 116 VAL   A HA   1 c 
ATOM   58   H HB   . VAL   A 1 4   ? -1.566  8.430   3.566   1.000 10.602 0 116 VAL   A HB   1 c 
ATOM   59   H HG11 . VAL   A 1 4   ? -3.821  6.800   3.054   1.000 11.089 0 116 VAL   A HG11 1 c 
ATOM   60   H HG12 . VAL   A 1 4   ? -3.616  8.279   2.516   1.000 11.181 0 116 VAL   A HG12 1 c 
ATOM   61   H HG13 . VAL   A 1 4   ? -3.832  8.021   4.066   1.000 11.175 0 116 VAL   A HG13 1 c 
ATOM   62   H HG21 . VAL   A 1 4   ? -2.111  7.074   5.436   1.000 11.722 0 116 VAL   A HG21 1 c 
ATOM   63   H HG22 . VAL   A 1 4   ? -0.658  6.785   4.870   1.000 11.684 0 116 VAL   A HG22 1 c 
ATOM   64   H HG23 . VAL   A 1 4   ? -1.850  5.792   4.540   1.000 11.853 0 116 VAL   A HG23 1 c 
ATOM   65   N N    . PRO   A 1 5   ? -2.335  7.274   -0.020  1.000 8.929  0 117 PRO   A N    1 ? 
ATOM   66   C CA   . PRO   A 1 5   ? -3.061  5.997   0.054   1.000 8.434  0 117 PRO   A CA   1 ? 
ATOM   67   C C    . PRO   A 1 5   ? -2.158  4.786   -0.047  1.000 8.100  0 117 PRO   A C    1 ? 
ATOM   68   O O    . PRO   A 1 5   ? -1.158  4.791   -0.760  1.000 10.645 0 117 PRO   A O    1 ? 
ATOM   69   C CB   . PRO   A 1 5   ? -3.993  6.044   -1.148  1.000 10.975 0 117 PRO   A CB   1 ? 
ATOM   70   C CG   . PRO   A 1 5   ? -3.389  7.064   -2.086  1.000 13.287 0 117 PRO   A CG   1 ? 
ATOM   71   C CD   . PRO   A 1 5   ? -2.646  8.061   -1.238  1.000 11.011 0 117 PRO   A CD   1 ? 
ATOM   72   H HA   . PRO   A 1 5   ? -3.588  5.966   0.888   1.000 8.719  0 117 PRO   A HA   1 c 
ATOM   73   H HB2  . PRO   A 1 5   ? -4.050  5.161   -1.583  1.000 10.625 0 117 PRO   A HB2  1 c 
ATOM   74   H HB3  . PRO   A 1 5   ? -4.900  6.317   -0.875  1.000 10.616 0 117 PRO   A HB3  1 c 
ATOM   75   H HG2  . PRO   A 1 5   ? -2.776  6.629   -2.715  1.000 12.361 0 117 PRO   A HG2  1 c 
ATOM   76   H HG3  . PRO   A 1 5   ? -4.092  7.513   -2.601  1.000 12.296 0 117 PRO   A HG3  1 c 
ATOM   77   H HD2  . PRO   A 1 5   ? -1.824  8.365   -1.686  1.000 11.158 0 117 PRO   A HD2  1 c 
ATOM   78   H HD3  . PRO   A 1 5   ? -3.209  8.838   -1.027  1.000 10.923 0 117 PRO   A HD3  1 c 
ATOM   79   N N    . TYR   A 1 6   ? -2.573  3.717   0.609   1.000 7.217  0 118 TYR   A N    1 ? 
ATOM   80   C CA   . TYR   A 1 6   ? -1.819  2.494   0.684   1.000 6.729  0 118 TYR   A CA   1 ? 
ATOM   81   C C    . TYR   A 1 6   ? -2.650  1.334   0.180   1.000 6.591  0 118 TYR   A C    1 ? 
ATOM   82   O O    . TYR   A 1 6   ? -3.835  1.267   0.441   1.000 8.609  0 118 TYR   A O    1 ? 
ATOM   83   C CB   . TYR   A 1 6   ? -1.444  2.211   2.147   1.000 7.510  0 118 TYR   A CB   1 ? 
ATOM   84   C CG   . TYR   A 1 6   ? -0.516  1.048   2.358   1.000 8.756  0 118 TYR   A CG   1 ? 
ATOM   85   C CD1  . TYR   A 1 6   ? 0.853   1.176   2.130   1.000 10.870 0 118 TYR   A CD1  1 ? 
ATOM   86   C CD2  . TYR   A 1 6   ? -0.995  -0.200  2.747   1.000 10.323 0 118 TYR   A CD2  1 ? 
ATOM   87   C CE1  . TYR   A 1 6   ? 1.702   0.083   2.266   1.000 13.003 0 118 TYR   A CE1  1 ? 
ATOM   88   C CE2  . TYR   A 1 6   ? -0.147  -1.281  2.932   1.000 12.186 0 118 TYR   A CE2  1 ? 
ATOM   89   C CZ   . TYR   A 1 6   ? 1.197   -1.134  2.683   1.000 13.515 0 118 TYR   A CZ   1 ? 
ATOM   90   O OH   . TYR   A 1 6   ? 1.982   -2.235  2.911   1.000 17.173 0 118 TYR   A OH   1 ? 
ATOM   91   H H    . TYR   A 1 6   ? -3.381  3.751   1.034   1.000 7.278  0 118 TYR   A H    1 c 
ATOM   92   H HA   . TYR   A 1 6   ? -0.992  2.574   0.139   1.000 6.865  0 118 TYR   A HA   1 c 
ATOM   93   H HB2  . TYR   A 1 6   ? -1.027  3.017   2.521   1.000 7.521  0 118 TYR   A HB2  1 c 
ATOM   94   H HB3  . TYR   A 1 6   ? -2.271  2.048   2.652   1.000 7.563  0 118 TYR   A HB3  1 c 
ATOM   95   H HD1  . TYR   A 1 6   ? 1.202   2.001   1.833   1.000 10.457 0 118 TYR   A HD1  1 c 
ATOM   96   H HD2  . TYR   A 1 6   ? -1.918  -0.307  2.916   1.000 10.262 0 118 TYR   A HD2  1 c 
ATOM   97   H HE1  . TYR   A 1 6   ? 2.629   0.185   2.130   1.000 12.443 0 118 TYR   A HE1  1 c 
ATOM   98   H HE2  . TYR   A 1 6   ? -0.490  -2.113  3.210   1.000 11.785 0 118 TYR   A HE2  1 c 
ATOM   99   H HH   . TYR   A 1 6   ? 2.234   -2.248  3.735   0.000 17.270 0 118 TYR   A HH   1 c 
ATOM   100  N N    . ASN   A 1 7   ? -2.030  0.419   -0.555  1.000 7.435  0 119 ASN   A N    1 ? 
ATOM   101  C CA   . ASN   A 1 7   ? -2.683  -0.777  -1.010  1.000 8.535  0 119 ASN   A CA   1 ? 
ATOM   102  C C    . ASN   A 1 7   ? -2.070  -2.003  -0.340  1.000 7.995  0 119 ASN   A C    1 ? 
ATOM   103  O O    . ASN   A 1 7   ? -0.863  -2.263  -0.478  1.000 11.145 0 119 ASN   A O    1 ? 
ATOM   104  C CB   . ASN   A 1 7   ? -2.543  -0.918  -2.518  1.000 12.052 0 119 ASN   A CB   1 ? 
ATOM   105  C CG   . ASN   A 1 7   ? -3.412  0.040   -3.293  1.000 18.042 0 119 ASN   A CG   1 ? 
ATOM   106  O OD1  . ASN   A 1 7   ? -4.452  0.519   -2.822  1.000 22.769 0 119 ASN   A OD1  1 ? 
ATOM   107  N ND2  . ASN   A 1 7   ? -3.031  0.278   -4.539  1.000 24.032 0 119 ASN   A ND2  1 ? 
ATOM   108  H H    . ASN   A 1 7   ? -1.155  0.551   -0.782  1.000 7.385  0 119 ASN   A H    1 c 
ATOM   109  H HA   . ASN   A 1 7   ? -3.640  -0.728  -0.793  1.000 8.525  0 119 ASN   A HA   1 c 
ATOM   110  H HB2  . ASN   A 1 7   ? -1.609  -0.768  -2.764  1.000 11.609 0 119 ASN   A HB2  1 c 
ATOM   111  H HB3  . ASN   A 1 7   ? -2.776  -1.833  -2.774  1.000 11.383 0 119 ASN   A HB3  1 c 
ATOM   112  H HD21 . ASN   A 1 7   ? -2.330  -0.146  -4.881  1.000 21.688 0 119 ASN   A HD21 1 c 
ATOM   113  H HD22 . ASN   A 1 7   ? -3.479  0.862   -5.034  1.000 21.941 0 119 ASN   A HD22 1 c 
ATOM   114  N N    . LEU   A 1 8   ? -2.887  -2.713  0.422   1.000 6.696  0 120 LEU   A N    1 ? 
ATOM   115  C CA   . LEU   A 1 8   ? -2.487  -3.959  1.042   1.000 6.548  0 120 LEU   A CA   1 ? 
ATOM   116  C C    . LEU   A 1 8   ? -3.032  -5.120  0.216   1.000 6.116  0 120 LEU   A C    1 ? 
ATOM   117  O O    . LEU   A 1 8   ? -4.237  -5.329  0.162   1.000 5.772  0 120 LEU   A O    1 ? 
ATOM   118  C CB   . LEU   A 1 8   ? -3.032  -4.035  2.468   1.000 7.143  0 120 LEU   A CB   1 ? 
ATOM   119  C CG   . LEU   A 1 8   ? -2.730  -5.347  3.212   1.000 8.542  0 120 LEU   A CG   1 ? 
ATOM   120  C CD1  . LEU   A 1 8   ? -1.268  -5.403  3.528   1.000 10.389 0 120 LEU   A CD1  1 ? 
ATOM   121  C CD2  . LEU   A 1 8   ? -3.554  -5.430  4.480   1.000 9.223  0 120 LEU   A CD2  1 ? 
ATOM   122  H H    . LEU   A 1 8   ? -3.736  -2.408  0.568   1.000 6.797  0 120 LEU   A H    1 c 
ATOM   123  H HA   . LEU   A 1 8   ? -1.500  -4.002  1.067   1.000 6.500  0 120 LEU   A HA   1 c 
ATOM   124  H HB2  . LEU   A 1 8   ? -2.651  -3.288  2.985   1.000 7.139  0 120 LEU   A HB2  1 c 
ATOM   125  H HB3  . LEU   A 1 8   ? -4.008  -3.914  2.433   1.000 7.134  0 120 LEU   A HB3  1 c 
ATOM   126  H HG   . LEU   A 1 8   ? -2.964  -6.112  2.628   1.000 8.444  0 120 LEU   A HG   1 c 
ATOM   127  H HD11 . LEU   A 1 8   ? -0.756  -5.424  2.703   1.000 9.786  0 120 LEU   A HD11 1 c 
ATOM   128  H HD12 . LEU   A 1 8   ? -1.079  -6.205  4.044   1.000 9.891  0 120 LEU   A HD12 1 c 
ATOM   129  H HD13 . LEU   A 1 8   ? -1.016  -4.620  4.045   1.000 9.999  0 120 LEU   A HD13 1 c 
ATOM   130  H HD21 . LEU   A 1 8   ? -4.499  -5.401  4.255   1.000 9.086  0 120 LEU   A HD21 1 c 
ATOM   131  H HD22 . LEU   A 1 8   ? -3.337  -4.680  5.058   1.000 9.017  0 120 LEU   A HD22 1 c 
ATOM   132  H HD23 . LEU   A 1 8   ? -3.356  -6.262  4.942   1.000 9.042  0 120 LEU   A HD23 1 c 
ATOM   133  N N    . PRO   A 1 9   ? -2.156  -5.919  -0.416  1.000 6.101  0 121 PRO   A N    1 ? 
ATOM   134  C CA   . PRO   A 1 9   ? -2.667  -7.103  -1.097  1.000 5.921  0 121 PRO   A CA   1 ? 
ATOM   135  C C    . PRO   A 1 9   ? -3.254  -8.096  -0.105  1.000 5.201  0 121 PRO   A C    1 ? 
ATOM   136  O O    . PRO   A 1 9   ? -2.737  -8.247  0.994   1.000 6.115  0 121 PRO   A O    1 ? 
ATOM   137  C CB   . PRO   A 1 9   ? -1.416  -7.711  -1.746  1.000 7.704  0 121 PRO   A CB   1 ? 
ATOM   138  C CG   . PRO   A 1 9   ? -0.464  -6.554  -1.837  1.000 8.800  0 121 PRO   A CG   1 ? 
ATOM   139  C CD   . PRO   A 1 9   ? -0.722  -5.720  -0.600  1.000 7.534  0 121 PRO   A CD   1 ? 
ATOM   140  H HA   . PRO   A 1 9   ? -3.331  -6.851  -1.787  1.000 5.984  0 121 PRO   A HA   1 c 
ATOM   141  H HB2  . PRO   A 1 9   ? -1.042  -8.432  -1.188  1.000 7.426  0 121 PRO   A HB2  1 c 
ATOM   142  H HB3  . PRO   A 1 9   ? -1.622  -8.069  -2.641  1.000 7.383  0 121 PRO   A HB3  1 c 
ATOM   143  H HG2  . PRO   A 1 9   ? 0.464   -6.869  -1.853  1.000 8.302  0 121 PRO   A HG2  1 c 
ATOM   144  H HG3  . PRO   A 1 9   ? -0.631  -6.030  -2.648  1.000 8.320  0 121 PRO   A HG3  1 c 
ATOM   145  H HD2  . PRO   A 1 9   ? -0.210  -6.053  0.170   1.000 7.331  0 121 PRO   A HD2  1 c 
ATOM   146  H HD3  . PRO   A 1 9   ? -0.506  -4.776  -0.759  1.000 7.270  0 121 PRO   A HD3  1 c 
ATOM   147  N N    . LEU   A 1 10  ? -4.319  -8.784  -0.516  1.000 4.702  0 122 LEU   A N    1 ? 
ATOM   148  C CA   . LEU   A 1 10  ? -4.957  -9.841  0.243   1.000 4.715  0 122 LEU   A CA   1 ? 
ATOM   149  C C    . LEU   A 1 10  ? -4.886  -11.095 -0.632  1.000 4.744  0 122 LEU   A C    1 ? 
ATOM   150  O O    . LEU   A 1 10  ? -5.773  -11.352 -1.442  1.000 5.250  0 122 LEU   A O    1 ? 
ATOM   151  C CB   . LEU   A 1 10  ? -6.395  -9.477  0.597   1.000 4.814  0 122 LEU   A CB   1 ? 
ATOM   152  C CG   . LEU   A 1 10  ? -6.603  -8.126  1.289   1.000 5.158  0 122 LEU   A CG   1 ? 
ATOM   153  C CD1  . LEU   A 1 10  ? -8.073  -7.824  1.419   1.000 5.440  0 122 LEU   A CD1  1 ? 
ATOM   154  C CD2  . LEU   A 1 10  ? -5.931  -8.098  2.656   1.000 6.040  0 122 LEU   A CD2  1 ? 
ATOM   155  H H    . LEU   A 1 10  ? -4.669  -8.579  -1.334  1.000 4.772  0 122 LEU   A H    1 c 
ATOM   156  H HA   . LEU   A 1 10  ? -4.446  -9.994  1.076   1.000 4.738  0 122 LEU   A HA   1 c 
ATOM   157  H HB2  . LEU   A 1 10  ? -6.927  -9.482  -0.232  1.000 4.840  0 122 LEU   A HB2  1 c 
ATOM   158  H HB3  . LEU   A 1 10  ? -6.755  -10.183 1.182   1.000 4.850  0 122 LEU   A HB3  1 c 
ATOM   159  H HG   . LEU   A 1 10  ? -6.191  -7.420  0.727   1.000 5.178  0 122 LEU   A HG   1 c 
ATOM   160  H HD11 . LEU   A 1 10  ? -8.477  -7.789  0.535   1.000 5.375  0 122 LEU   A HD11 1 c 
ATOM   161  H HD12 . LEU   A 1 10  ? -8.191  -6.967  1.862   1.000 5.359  0 122 LEU   A HD12 1 c 
ATOM   162  H HD13 . LEU   A 1 10  ? -8.503  -8.521  1.943   1.000 5.367  0 122 LEU   A HD13 1 c 
ATOM   163  H HD21 . LEU   A 1 10  ? -4.972  -8.213  2.550   1.000 5.740  0 122 LEU   A HD21 1 c 
ATOM   164  H HD22 . LEU   A 1 10  ? -6.285  -8.817  3.206   1.000 5.821  0 122 LEU   A HD22 1 c 
ATOM   165  H HD23 . LEU   A 1 10  ? -6.108  -7.245  3.087   1.000 5.823  0 122 LEU   A HD23 1 c 
ATOM   166  N N    . PRO   A 1 11  ? -3.767  -11.848 -0.570  1.000 4.577  0 123 PRO   A N    1 ? 
ATOM   167  C CA   . PRO   A 1 11  ? -3.518  -12.854 -1.602  1.000 4.737  0 123 PRO   A CA   1 ? 
ATOM   168  C C    . PRO   A 1 11  ? -4.547  -13.962 -1.569  1.000 5.207  0 123 PRO   A C    1 ? 
ATOM   169  O O    . PRO   A 1 11  ? -4.757  -14.621 -0.563  1.000 5.527  0 123 PRO   A O    1 ? 
ATOM   170  C CB   . PRO   A 1 11  ? -2.106  -13.359 -1.271  1.000 5.030  0 123 PRO   A CB   1 ? 
ATOM   171  C CG   . PRO   A 1 11  ? -1.456  -12.186 -0.528  1.000 5.430  0 123 PRO   A CG   1 ? 
ATOM   172  C CD   . PRO   A 1 11  ? -2.603  -11.627 0.281   1.000 5.030  0 123 PRO   A CD   1 ? 
ATOM   173  H HA   . PRO   A 1 11  ? -3.517  -12.415 -2.489  1.000 4.771  0 123 PRO   A HA   1 c 
ATOM   174  H HB2  . PRO   A 1 11  ? -2.142  -14.161 -0.699  1.000 5.027  0 123 PRO   A HB2  1 c 
ATOM   175  H HB3  . PRO   A 1 11  ? -1.607  -13.574 -2.094  1.000 4.985  0 123 PRO   A HB3  1 c 
ATOM   176  H HG2  . PRO   A 1 11  ? -0.730  -12.494 0.054   1.000 5.260  0 123 PRO   A HG2  1 c 
ATOM   177  H HG3  . PRO   A 1 11  ? -1.107  -11.519 -1.154  1.000 5.271  0 123 PRO   A HG3  1 c 
ATOM   178  H HD2  . PRO   A 1 11  ? -2.695  -12.102 1.136   1.000 4.985  0 123 PRO   A HD2  1 c 
ATOM   179  H HD3  . PRO   A 1 11  ? -2.466  -10.673 0.459   1.000 4.965  0 123 PRO   A HD3  1 c 
ATOM   180  N N    . GLY   A 1 12  ? -5.166  -14.248 -2.696  1.000 5.172  0 124 GLY   A N    1 ? 
ATOM   181  C CA   . GLY   A 1 12  ? -6.224  -15.231 -2.748  1.000 5.614  0 124 GLY   A CA   1 ? 
ATOM   182  C C    . GLY   A 1 12  ? -7.520  -14.781 -2.094  1.000 5.075  0 124 GLY   A C    1 ? 
ATOM   183  O O    . GLY   A 1 12  ? -8.374  -15.601 -1.786  1.000 6.412  0 124 GLY   A O    1 ? 
ATOM   184  H H    . GLY   A 1 12  ? -4.936  -13.807 -3.462  1.000 5.217  0 124 GLY   A H    1 c 
ATOM   185  H HA2  . GLY   A 1 12  ? -6.402  -15.449 -3.693  1.000 5.419  0 124 GLY   A HA2  1 c 
ATOM   186  H HA3  . GLY   A 1 12  ? -5.911  -16.057 -2.308  1.000 5.454  0 124 GLY   A HA3  1 c 
ATOM   187  N N    . GLY   A 1 13  ? -7.662  -13.489 -1.895  1.000 4.876  0 125 GLY   A N    1 ? 
ATOM   188  C CA   . GLY   A 1 13  ? -8.888  -12.939 -1.341  1.000 4.998  0 125 GLY   A CA   1 ? 
ATOM   189  C C    . GLY   A 1 13  ? -9.020  -13.177 0.151   1.000 4.922  0 125 GLY   A C    1 ? 
ATOM   190  O O    . GLY   A 1 13  ? -8.051  -13.450 0.841   1.000 7.020  0 125 GLY   A O    1 ? 
ATOM   191  H H    . GLY   A 1 13  ? -6.986  -12.916 -2.119  1.000 4.945  0 125 GLY   A H    1 c 
ATOM   192  H HA2  . GLY   A 1 13  ? -8.906  -11.975 -1.517  1.000 4.999  0 125 GLY   A HA2  1 c 
ATOM   193  H HA3  . GLY   A 1 13  ? -9.657  -13.341 -1.805  1.000 4.975  0 125 GLY   A HA3  1 c 
ATOM   194  N N    . VAL   A 1 14  ? -10.252 -13.013 0.602   1.000 5.207  0 126 VAL   A N    1 ? 
ATOM   195  C CA   . VAL   A 1 14  ? -10.563 -13.139 2.011   1.000 5.297  0 126 VAL   A CA   1 ? 
ATOM   196  C C    . VAL   A 1 14  ? -11.370 -14.410 2.242   1.000 5.722  0 126 VAL   A C    1 ? 
ATOM   197  O O    . VAL   A 1 14  ? -11.901 -15.021 1.318   1.000 6.579  0 126 VAL   A O    1 ? 
ATOM   198  C CB   . VAL   A 1 14  ? -11.248 -11.910 2.601   1.000 5.669  0 126 VAL   A CB   1 ? 
ATOM   199  C CG1  . VAL   A 1 14  ? -10.394 -10.692 2.365   1.000 6.405  0 126 VAL   A CG1  1 ? 
ATOM   200  C CG2  . VAL   A 1 14  ? -12.646 -11.731 2.070   1.000 5.526  0 126 VAL   A CG2  1 ? 
ATOM   201  H H    . VAL   A 1 14  ? -10.926 -12.817 0.016   1.000 5.162  0 126 VAL   A H    1 c 
ATOM   202  H HA   . VAL   A 1 14  ? -9.718  -13.248 2.485   1.000 5.406  0 126 VAL   A HA   1 c 
ATOM   203  H HB   . VAL   A 1 14  ? -11.309 -12.051 3.573   1.000 5.648  0 126 VAL   A HB   1 c 
ATOM   204  H HG11 . VAL   A 1 14  ? -10.307 -10.535 1.410   1.000 6.208  0 126 VAL   A HG11 1 c 
ATOM   205  H HG12 . VAL   A 1 14  ? -9.514  -10.833 2.752   1.000 6.221  0 126 VAL   A HG12 1 c 
ATOM   206  H HG13 . VAL   A 1 14  ? -10.810 -9.919  2.782   1.000 6.262  0 126 VAL   A HG13 1 c 
ATOM   207  H HG21 . VAL   A 1 14  ? -13.017 -10.898 2.407   1.000 5.466  0 126 VAL   A HG21 1 c 
ATOM   208  H HG22 . VAL   A 1 14  ? -13.204 -12.472 2.360   1.000 5.563  0 126 VAL   A HG22 1 c 
ATOM   209  H HG23 . VAL   A 1 14  ? -12.625 -11.704 1.099   1.000 5.558  0 126 VAL   A HG23 1 c 
ATOM   210  N N    . VAL   A 1 15  ? -11.433 -14.816 3.532   1.000 6.260  0 127 VAL   A N    1 ? 
ATOM   211  C CA   . VAL   A 1 15  ? -12.080 -16.036 3.949   1.000 6.783  0 127 VAL   A CA   1 ? 
ATOM   212  C C    . VAL   A 1 15  ? -12.605 -15.816 5.355   1.000 6.150  0 127 VAL   A C    1 ? 
ATOM   213  O O    . VAL   A 1 15  ? -12.018 -15.036 6.099   1.000 5.538  0 127 VAL   A O    1 ? 
ATOM   214  C CB   . VAL   A 1 15  ? -11.087 -17.206 3.882   1.000 9.168  0 127 VAL   A CB   1 ? 
ATOM   215  C CG1  . VAL   A 1 15  ? -9.930  -17.025 4.835   1.000 9.480  0 127 VAL   A CG1  1 ? 
ATOM   216  C CG2  . VAL   A 1 15  ? -11.774 -18.525 3.909   1.000 11.099 0 127 VAL   A CG2  1 ? 
ATOM   217  H H    . VAL   A 1 15  ? -11.040 -14.295 4.171   1.000 6.141  0 127 VAL   A H    1 c 
ATOM   218  H HA   . VAL   A 1 15  ? -12.829 -16.217 3.351   1.000 6.721  0 127 VAL   A HA   1 c 
ATOM   219  H HB   . VAL   A 1 15  ? -10.680 -17.156 2.985   1.000 8.713  0 127 VAL   A HB   1 c 
ATOM   220  H HG11 . VAL   A 1 15  ? -10.252 -17.056 5.751   1.000 9.369  0 127 VAL   A HG11 1 c 
ATOM   221  H HG12 . VAL   A 1 15  ? -9.504  -16.167 4.671   1.000 9.424  0 127 VAL   A HG12 1 c 
ATOM   222  H HG13 . VAL   A 1 15  ? -9.283  -17.737 4.697   1.000 9.274  0 127 VAL   A HG13 1 c 
ATOM   223  H HG21 . VAL   A 1 15  ? -11.132 -19.229 3.716   1.000 10.558 0 127 VAL   A HG21 1 c 
ATOM   224  H HG22 . VAL   A 1 15  ? -12.480 -18.538 3.241   1.000 10.507 0 127 VAL   A HG22 1 c 
ATOM   225  H HG23 . VAL   A 1 15  ? -12.158 -18.672 4.789   1.000 10.474 0 127 VAL   A HG23 1 c 
ATOM   226  N N    . PRO   A 1 16  ? -13.691 -16.505 5.792   1.000 6.028  0 128 PRO   A N    1 ? 
ATOM   227  C CA   . PRO   A 1 16  ? -14.088 -16.383 7.189   1.000 6.223  0 128 PRO   A CA   1 ? 
ATOM   228  C C    . PRO   A 1 16  ? -12.929 -16.726 8.124   1.000 5.979  0 128 PRO   A C    1 ? 
ATOM   229  O O    . PRO   A 1 16  ? -12.147 -17.632 7.893   1.000 6.725  0 128 PRO   A O    1 ? 
ATOM   230  C CB   . PRO   A 1 16  ? -15.254 -17.327 7.307   1.000 7.808  0 128 PRO   A CB   1 ? 
ATOM   231  C CG   . PRO   A 1 16  ? -15.870 -17.299 5.938   1.000 8.488  0 128 PRO   A CG   1 ? 
ATOM   232  C CD   . PRO   A 1 16  ? -14.627 -17.326 5.019   1.000 7.527  0 128 PRO   A CD   1 ? 
ATOM   233  H HA   . PRO   A 1 16  ? -14.394 -15.458 7.351   1.000 6.201  0 128 PRO   A HA   1 c 
ATOM   234  H HB2  . PRO   A 1 16  ? -14.952 -18.236 7.539   1.000 7.616  0 128 PRO   A HB2  1 c 
ATOM   235  H HB3  . PRO   A 1 16  ? -15.894 -17.015 7.989   1.000 7.515  0 128 PRO   A HB3  1 c 
ATOM   236  H HG2  . PRO   A 1 16  ? -16.440 -18.082 5.788   1.000 8.238  0 128 PRO   A HG2  1 c 
ATOM   237  H HG3  . PRO   A 1 16  ? -16.396 -16.484 5.801   1.000 8.181  0 128 PRO   A HG3  1 c 
ATOM   238  H HD2  . PRO   A 1 16  ? -14.294 -18.241 4.899   1.000 7.388  0 128 PRO   A HD2  1 c 
ATOM   239  H HD3  . PRO   A 1 16  ? -14.822 -16.924 4.143   1.000 7.305  0 128 PRO   A HD3  1 c 
ATOM   240  N N    . ARG   A 1 17  ? -12.908 -15.948 9.210   1.000 6.182  0 129 ARG   A N    1 ? 
ATOM   241  C CA   . ARG   A 1 17  ? -11.928 -16.030 10.288  1.000 6.984  0 129 ARG   A CA   1 ? 
ATOM   242  C C    . ARG   A 1 17  ? -10.637 -15.271 9.978   1.000 6.119  0 129 ARG   A C    1 ? 
ATOM   243  O O    . ARG   A 1 17  ? -9.725  -15.218 10.794  1.000 8.419  0 129 ARG   A O    1 ? 
ATOM   244  C CB   . ARG   A 1 17  ? -11.638 -17.439 10.777  1.000 8.362  0 129 ARG   A CB   1 ? 
ATOM   245  C CG   . ARG   A 1 17  ? -12.879 -18.082 11.370  1.000 10.980 0 129 ARG   A CG   1 ? 
ATOM   246  C CD   . ARG   A 1 17  ? -12.612 -19.414 11.995  1.000 14.128 0 129 ARG   A CD   1 ? 
ATOM   247  N NE   . ARG   A 1 17  ? -12.170 -20.369 10.986  1.000 18.628 0 129 ARG   A NE   1 ? 
ATOM   248  C CZ   . ARG   A 1 17  ? -12.962 -20.993 10.126  1.000 24.042 0 129 ARG   A CZ   1 ? 
ATOM   249  N NH1  . ARG   A 1 17  ? -12.403 -21.857 9.292   1.000 27.146 0 129 ARG   A NH1  1 ? 
ATOM   250  N NH2  . ARG   A 1 17  ? -14.282 -20.811 10.102  1.000 23.341 0 129 ARG   A NH2  1 ? 
ATOM   251  H H    . ARG   A 1 17  ? -13.562 -15.314 9.287   1.000 6.200  0 129 ARG   A H    1 c 
ATOM   252  H HA   . ARG   A 1 17  ? -12.333 -15.573 11.068  1.000 6.788  0 129 ARG   A HA   1 c 
ATOM   253  H HB2  . ARG   A 1 17  ? -11.310 -17.988 10.034  1.000 8.434  0 129 ARG   A HB2  1 c 
ATOM   254  H HB3  . ARG   A 1 17  ? -10.937 -17.407 11.462  1.000 8.343  0 129 ARG   A HB3  1 c 
ATOM   255  H HG2  . ARG   A 1 17  ? -13.257 -17.483 12.051  1.000 10.482 0 129 ARG   A HG2  1 c 
ATOM   256  H HG3  . ARG   A 1 17  ? -13.552 -18.191 10.663  1.000 10.657 0 129 ARG   A HG3  1 c 
ATOM   257  H HD2  . ARG   A 1 17  ? -11.918 -19.322 12.679  1.000 13.734 0 129 ARG   A HD2  1 c 
ATOM   258  H HD3  . ARG   A 1 17  ? -13.424 -19.748 12.426  1.000 13.766 0 129 ARG   A HD3  1 c 
ATOM   259  H HE   . ARG   A 1 17  ? -11.317 -20.542 10.946  1.000 18.156 0 129 ARG   A HE   1 c 
ATOM   260  H HH11 . ARG   A 1 17  ? -12.900 -22.275 8.692   1.000 26.359 0 129 ARG   A HH11 1 c 
ATOM   261  H HH12 . ARG   A 1 17  ? -11.534 -22.018 9.334   1.000 26.156 0 129 ARG   A HH12 1 c 
ATOM   262  H HH21 . ARG   A 1 17  ? -14.774 -21.261 9.520   1.000 23.379 0 129 ARG   A HH21 1 c 
ATOM   263  H HH22 . ARG   A 1 17  ? -14.670 -20.247 10.658  1.000 22.731 0 129 ARG   A HH22 1 c 
ATOM   264  N N    . MET   A 1 18  ? -10.562 -14.621 8.838   1.000 5.319  0 130 MET   A N    1 ? 
ATOM   265  C CA   . MET   A 1 18  ? -9.462  -13.727 8.538   1.000 5.207  0 130 MET   A CA   1 ? 
ATOM   266  C C    . MET   A 1 18  ? -9.702  -12.378 9.207   1.000 5.243  0 130 MET   A C    1 ? 
ATOM   267  O O    . MET   A 1 18  ? -10.769 -11.790 9.076   1.000 5.982  0 130 MET   A O    1 ? 
ATOM   268  C CB   . MET   A 1 18  ? -9.318  -13.567 7.014   1.000 5.422  0 130 MET   A CB   1 ? 
ATOM   269  C CG   . MET   A 1 18  ? -8.116  -12.806 6.591   1.000 5.917  0 130 MET   A CG   1 ? 
ATOM   270  S SD   . MET   A 1 18  ? -8.015  -12.833 4.789   1.000 7.636  0 130 MET   A SD   1 ? 
ATOM   271  C CE   . MET   A 1 18  ? -6.560  -11.835 4.496   1.000 7.921  0 130 MET   A CE   1 ? 
ATOM   272  H H    . MET   A 1 18  ? -11.220 -14.727 8.213   1.000 5.359  0 130 MET   A H    1 c 
ATOM   273  H HA   . MET   A 1 18  ? -8.630  -14.123 8.903   1.000 5.265  0 130 MET   A HA   1 c 
ATOM   274  H HB2  . MET   A 1 18  ? -9.287  -14.460 6.609   1.000 5.417  0 130 MET   A HB2  1 c 
ATOM   275  H HB3  . MET   A 1 18  ? -10.117 -13.113 6.672   1.000 5.386  0 130 MET   A HB3  1 c 
ATOM   276  H HG2  . MET   A 1 18  ? -8.177  -11.881 6.901   1.000 5.969  0 130 MET   A HG2  1 c 
ATOM   277  H HG3  . MET   A 1 18  ? -7.311  -13.212 6.970   1.000 6.028  0 130 MET   A HG3  1 c 
ATOM   278  H HE1  . MET   A 1 18  ? -6.394  -11.778 3.537   1.000 7.851  0 130 MET   A HE1  1 c 
ATOM   279  H HE2  . MET   A 1 18  ? -6.702  -10.939 4.855   1.000 7.815  0 130 MET   A HE2  1 c 
ATOM   280  H HE3  . MET   A 1 18  ? -5.792  -12.243 4.935   1.000 7.881  0 130 MET   A HE3  1 c 
ATOM   281  N N    . LEU   A 1 19  ? -8.702  -11.930 9.945   1.000 5.806  0 131 LEU   A N    1 ? 
ATOM   282  C CA   . LEU   A 1 19  ? -8.749  -10.673 10.713  1.000 6.245  0 131 LEU   A CA   1 ? 
ATOM   283  C C    . LEU   A 1 19  ? -7.725  -9.706  10.144  1.000 5.993  0 131 LEU   A C    1 ? 
ATOM   284  O O    . LEU   A 1 19  ? -6.552  -10.010 10.120  1.000 6.681  0 131 LEU   A O    1 ? 
ATOM   285  C CB   . LEU   A 1 19  ? -8.419  -10.999 12.169  1.000 7.152  0 131 LEU   A CB   1 ? 
ATOM   286  C CG   . LEU   A 1 19  ? -8.364  -9.804  13.109  1.000 8.783  0 131 LEU   A CG   1 ? 
ATOM   287  C CD1  . LEU   A 1 19  ? -9.748  -9.161  13.243  1.000 9.136  0 131 LEU   A CD1  1 ? 
ATOM   288  C CD2  . LEU   A 1 19  ? -7.870  -10.233 14.480  1.000 10.688 0 131 LEU   A CD2  1 ? 
ATOM   289  H H    . LEU   A 1 19  ? -7.934  -12.424 9.982   1.000 5.686  0 131 LEU   A H    1 c 
ATOM   290  H HA   . LEU   A 1 19  ? -9.657  -10.283 10.651  1.000 6.216  0 131 LEU   A HA   1 c 
ATOM   291  H HB2  . LEU   A 1 19  ? -9.098  -11.628 12.505  1.000 7.027  0 131 LEU   A HB2  1 c 
ATOM   292  H HB3  . LEU   A 1 19  ? -7.547  -11.455 12.192  1.000 6.963  0 131 LEU   A HB3  1 c 
ATOM   293  H HG   . LEU   A 1 19  ? -7.733  -9.134  12.739  1.000 8.691  0 131 LEU   A HG   1 c 
ATOM   294  H HD11 . LEU   A 1 19  ? -10.008 -8.765  12.395  1.000 8.984  0 131 LEU   A HD11 1 c 
ATOM   295  H HD12 . LEU   A 1 19  ? -9.719  -8.472  13.926  1.000 9.032  0 131 LEU   A HD12 1 c 
ATOM   296  H HD13 . LEU   A 1 19  ? -10.398 -9.839  13.496  1.000 9.031  0 131 LEU   A HD13 1 c 
ATOM   297  H HD21 . LEU   A 1 19  ? -6.979  -10.615 14.400  1.000 10.163 0 131 LEU   A HD21 1 c 
ATOM   298  H HD22 . LEU   A 1 19  ? -8.474  -10.897 14.851  1.000 10.220 0 131 LEU   A HD22 1 c 
ATOM   299  H HD23 . LEU   A 1 19  ? -7.838  -9.461  15.070  1.000 10.242 0 131 LEU   A HD23 1 c 
ATOM   300  N N    . ILE   A 1 20  ? -8.201  -8.556  9.662   1.000 5.536  0 132 ILE   A N    1 ? 
ATOM   301  C CA   . ILE   A 1 20  ? -7.347  -7.526  9.097   1.000 5.630  0 132 ILE   A CA   1 ? 
ATOM   302  C C    . ILE   A 1 20  ? -7.249  -6.394  10.122  1.000 6.256  0 132 ILE   A C    1 ? 
ATOM   303  O O    . ILE   A 1 20  ? -8.274  -5.922  10.623  1.000 7.956  0 132 ILE   A O    1 ? 
ATOM   304  C CB   . ILE   A 1 20  ? -7.892  -7.052  7.736   1.000 7.077  0 132 ILE   A CB   1 ? 
ATOM   305  C CG1  . ILE   A 1 20  ? -8.051  -8.263  6.763   1.000 8.759  0 132 ILE   A CG1  1 ? 
ATOM   306  C CG2  . ILE   A 1 20  ? -6.984  -6.010  7.117   1.000 8.606  0 132 ILE   A CG2  1 ? 
ATOM   307  C CD1  . ILE   A 1 20  ? -9.461  -8.785  6.604   1.000 9.415  0 132 ILE   A CD1  1 ? 
ATOM   308  H H    . ILE   A 1 20  ? -9.102  -8.406  9.686   1.000 5.630  0 132 ILE   A H    1 c 
ATOM   309  H HA   . ILE   A 1 20  ? -6.458  -7.902  8.956   1.000 5.766  0 132 ILE   A HA   1 c 
ATOM   310  H HB   . ILE   A 1 20  ? -8.773  -6.652  7.878   1.000 6.968  0 132 ILE   A HB   1 c 
ATOM   311  H HG12 . ILE   A 1 20  ? -7.718  -8.000  5.881   1.000 8.399  0 132 ILE   A HG12 1 c 
ATOM   312  H HG13 . ILE   A 1 20  ? -7.485  -8.995  7.083   1.000 8.441  0 132 ILE   A HG13 1 c 
ATOM   313  H HG21 . ILE   A 1 20  ? -7.325  -5.761  6.242   1.000 8.130  0 132 ILE   A HG21 1 c 
ATOM   314  H HG22 . ILE   A 1 20  ? -6.088  -6.375  7.022   1.000 8.261  0 132 ILE   A HG22 1 c 
ATOM   315  H HG23 . ILE   A 1 20  ? -6.953  -5.223  7.686   1.000 8.242  0 132 ILE   A HG23 1 c 
ATOM   316  H HD11 . ILE   A 1 20  ? -9.799  -9.082  7.470   1.000 9.242  0 132 ILE   A HD11 1 c 
ATOM   317  H HD12 . ILE   A 1 20  ? -9.463  -9.535  5.980   1.000 9.241  0 132 ILE   A HD12 1 c 
ATOM   318  H HD13 . ILE   A 1 20  ? -10.035 -8.075  6.259   1.000 9.266  0 132 ILE   A HD13 1 c 
ATOM   319  N N    . THR   A 1 21  ? -6.009  -6.003  10.448  1.000 6.638  0 133 THR   A N    1 ? 
ATOM   320  C CA   . THR   A 1 21  ? -5.757  -4.982  11.466  1.000 7.112  0 133 THR   A CA   1 ? 
ATOM   321  C C    . THR   A 1 21  ? -5.051  -3.801  10.802  1.000 7.056  0 133 THR   A C    1 ? 
ATOM   322  O O    . THR   A 1 21  ? -3.963  -3.957  10.222  1.000 8.174  0 133 THR   A O    1 ? 
ATOM   323  C CB   . THR   A 1 21  ? -4.944  -5.547  12.634  1.000 8.132  0 133 THR   A CB   1 ? 
ATOM   324  O OG1  . THR   A 1 21  ? -5.641  -6.616  13.252  1.000 8.604  0 133 THR   A OG1  1 ? 
ATOM   325  C CG2  . THR   A 1 21  ? -4.659  -4.507  13.684  1.000 8.606  0 133 THR   A CG2  1 ? 
ATOM   326  H H    . THR   A 1 21  ? -5.295  -6.381  10.022  1.000 6.620  0 133 THR   A H    1 c 
ATOM   327  H HA   . THR   A 1 21  ? -6.620  -4.675  11.815  1.000 7.040  0 133 THR   A HA   1 c 
ATOM   328  H HB   . THR   A 1 21  ? -4.082  -5.884  12.290  1.000 7.942  0 133 THR   A HB   1 c 
ATOM   329  H HG1  . THR   A 1 21  ? -6.398  -6.333  13.554  0.000 8.641  0 133 THR   A HG1  1 c 
ATOM   330  H HG21 . THR   A 1 21  ? -4.207  -4.923  14.437  1.000 8.493  0 133 THR   A HG21 1 c 
ATOM   331  H HG22 . THR   A 1 21  ? -5.495  -4.114  13.986  1.000 8.503  0 133 THR   A HG22 1 c 
ATOM   332  H HG23 . THR   A 1 21  ? -4.091  -3.812  13.311  1.000 8.515  0 133 THR   A HG23 1 c 
ATOM   333  N N    . ILE   A 1 22  ? -5.607  -2.613  11.020  1.000 6.148  0 134 ILE   A N    1 ? 
ATOM   334  C CA   . ILE   A 1 22  ? -5.025  -1.365  10.551  1.000 5.808  0 134 ILE   A CA   1 ? 
ATOM   335  C C    . ILE   A 1 22  ? -4.723  -0.491  11.772  1.000 5.760  0 134 ILE   A C    1 ? 
ATOM   336  O O    . ILE   A 1 22  ? -5.610  -0.244  12.570  1.000 6.387  0 134 ILE   A O    1 ? 
ATOM   337  C CB   . ILE   A 1 22  ? -6.001  -0.635  9.604   1.000 6.602  0 134 ILE   A CB   1 ? 
ATOM   338  C CG1  . ILE   A 1 22  ? -6.500  -1.515  8.441   1.000 8.326  0 134 ILE   A CG1  1 ? 
ATOM   339  C CG2  . ILE   A 1 22  ? -5.395  0.674   9.091   1.000 7.032  0 134 ILE   A CG2  1 ? 
ATOM   340  C CD1  . ILE   A 1 22  ? -7.771  -2.311  8.625   1.000 11.079 0 134 ILE   A CD1  1 ? 
ATOM   341  H H    . ILE   A 1 22  ? -6.393  -2.574  11.486  1.000 6.224  0 134 ILE   A H    1 c 
ATOM   342  H HA   . ILE   A 1 22  ? -4.196  -1.554  10.072  1.000 5.907  0 134 ILE   A HA   1 c 
ATOM   343  H HB   . ILE   A 1 22  ? -6.787  -0.398  10.135  1.000 6.613  0 134 ILE   A HB   1 c 
ATOM   344  H HG12 . ILE   A 1 22  ? -6.623  -0.938  7.660   1.000 8.173  0 134 ILE   A HG12 1 c 
ATOM   345  H HG13 . ILE   A 1 22  ? -5.785  -2.146  8.218   1.000 8.195  0 134 ILE   A HG13 1 c 
ATOM   346  H HG21 . ILE   A 1 22  ? -6.011  1.099   8.472   1.000 6.924  0 134 ILE   A HG21 1 c 
ATOM   347  H HG22 . ILE   A 1 22  ? -4.557  0.487   8.635   1.000 6.927  0 134 ILE   A HG22 1 c 
ATOM   348  H HG23 . ILE   A 1 22  ? -5.228  1.272   9.838   1.000 6.970  0 134 ILE   A HG23 1 c 
ATOM   349  H HD11 . ILE   A 1 22  ? -7.664  -2.937  9.366   1.000 10.223 0 134 ILE   A HD11 1 c 
ATOM   350  H HD12 . ILE   A 1 22  ? -7.966  -2.807  7.808   1.000 10.334 0 134 ILE   A HD12 1 c 
ATOM   351  H HD13 . ILE   A 1 22  ? -8.511  -1.704  8.819   1.000 10.263 0 134 ILE   A HD13 1 c 
ATOM   352  N N    . LEU   A 1 23  ? -3.470  -0.084  11.901  1.000 5.580  0 135 LEU   A N    1 ? 
ATOM   353  C CA   . LEU   A 1 23  ? -3.013  0.777   13.005  1.000 5.606  0 135 LEU   A CA   1 ? 
ATOM   354  C C    . LEU   A 1 23  ? -2.545  2.101   12.428  1.000 5.327  0 135 LEU   A C    1 ? 
ATOM   355  O O    . LEU   A 1 23  ? -1.802  2.129   11.446  1.000 5.696  0 135 LEU   A O    1 ? 
ATOM   356  C CB   . LEU   A 1 23  ? -1.833  0.147   13.759  1.000 7.337  0 135 LEU   A CB   1 ? 
ATOM   357  C CG   . LEU   A 1 23  ? -2.114  -1.128  14.551  1.000 9.175  0 135 LEU   A CG   1 ? 
ATOM   358  C CD1  . LEU   A 1 23  ? -0.843  -1.820  15.028  1.000 11.572 0 135 LEU   A CD1  1 ? 
ATOM   359  C CD2  . LEU   A 1 23  ? -3.016  -0.870  15.689  1.000 12.520 0 135 LEU   A CD2  1 ? 
ATOM   360  H H    . LEU   A 1 23  ? -2.856  -0.346  11.277  1.000 5.627  0 135 LEU   A H    1 c 
ATOM   361  H HA   . LEU   A 1 23  ? -3.765  0.934   13.628  1.000 5.641  0 135 LEU   A HA   1 c 
ATOM   362  H HB2  . LEU   A 1 23  ? -1.122  -0.044  13.106  1.000 6.977  0 135 LEU   A HB2  1 c 
ATOM   363  H HB3  . LEU   A 1 23  ? -1.475  0.821   14.381  1.000 7.043  0 135 LEU   A HB3  1 c 
ATOM   364  H HG   . LEU   A 1 23  ? -2.581  -1.759  13.945  1.000 9.026  0 135 LEU   A HG   1 c 
ATOM   365  H HD11 . LEU   A 1 23  ? -0.300  -2.071  14.264  1.000 10.838 0 135 LEU   A HD11 1 c 
ATOM   366  H HD12 . LEU   A 1 23  ? -1.076  -2.617  15.532  1.000 11.015 0 135 LEU   A HD12 1 c 
ATOM   367  H HD13 . LEU   A 1 23  ? -0.338  -1.215  15.597  1.000 10.949 0 135 LEU   A HD13 1 c 
ATOM   368  H HD21 . LEU   A 1 23  ? -3.874  -0.554  15.361  1.000 11.032 0 135 LEU   A HD21 1 c 
ATOM   369  H HD22 . LEU   A 1 23  ? -2.623  -0.196  16.268  1.000 11.473 0 135 LEU   A HD22 1 c 
ATOM   370  H HD23 . LEU   A 1 23  ? -3.147  -1.692  16.192  1.000 11.340 0 135 LEU   A HD23 1 c 
ATOM   371  N N    . GLY   A 1 24  ? -2.914  3.182   13.090  1.000 5.506  0 136 GLY   A N    1 ? 
ATOM   372  C CA   . GLY   A 1 24  ? -2.392  4.476   12.708  1.000 6.305  0 136 GLY   A CA   1 ? 
ATOM   373  C C    . GLY   A 1 24  ? -2.759  5.525   13.711  1.000 6.466  0 136 GLY   A C    1 ? 
ATOM   374  O O    . GLY   A 1 24  ? -3.118  5.201   14.836  1.000 7.247  0 136 GLY   A O    1 ? 
ATOM   375  H H    . GLY   A 1 24  ? -3.498  3.121   13.790  1.000 5.557  0 136 GLY   A H    1 c 
ATOM   376  H HA2  . GLY   A 1 24  ? -1.410  4.422   12.631  1.000 6.150  0 136 GLY   A HA2  1 c 
ATOM   377  H HA3  . GLY   A 1 24  ? -2.755  4.721   11.825  1.000 6.169  0 136 GLY   A HA3  1 c 
ATOM   378  N N    . THR   A 1 25  ? -2.673  6.781   13.277  1.000 5.844  0 137 THR   A N    1 ? 
ATOM   379  C CA   . THR   A 1 25  ? -3.097  7.923   14.077  1.000 5.918  0 137 THR   A CA   1 ? 
ATOM   380  C C    . THR   A 1 25  ? -3.941  8.829   13.211  1.000 5.756  0 137 THR   A C    1 ? 
ATOM   381  O O    . THR   A 1 25  ? -3.578  9.107   12.074  1.000 6.903  0 137 THR   A O    1 ? 
ATOM   382  C CB   . THR   A 1 25  ? -1.866  8.654   14.661  1.000 7.187  0 137 THR   A CB   1 ? 
ATOM   383  O OG1  . THR   A 1 25  ? -1.155  7.731   15.492  1.000 10.487 0 137 THR   A OG1  1 ? 
ATOM   384  C CG2  . THR   A 1 25  ? -2.239  9.861   15.498  1.000 7.605  0 137 THR   A CG2  1 ? 
ATOM   385  H H    . THR   A 1 25  ? -2.331  6.938   12.443  1.000 5.951  0 137 THR   A H    1 c 
ATOM   386  H HA   . THR   A 1 25  ? -3.646  7.596   14.819  1.000 5.975  0 137 THR   A HA   1 c 
ATOM   387  H HB   . THR   A 1 25  ? -1.279  8.945   13.924  1.000 7.178  0 137 THR   A HB   1 c 
ATOM   388  H HG1  . THR   A 1 25  ? -1.670  7.459   16.132  0.000 10.635 0 137 THR   A HG1  1 c 
ATOM   389  H HG21 . THR   A 1 25  ? -1.433  10.261  15.867  1.000 7.483  0 137 THR   A HG21 1 c 
ATOM   390  H HG22 . THR   A 1 25  ? -2.823  9.586   16.223  1.000 7.499  0 137 THR   A HG22 1 c 
ATOM   391  H HG23 . THR   A 1 25  ? -2.697  10.515  14.943  1.000 7.532  0 137 THR   A HG23 1 c 
ATOM   392  N N    . VAL   A 1 26  ? -5.089  9.251   13.728  1.000 6.016  0 138 VAL   A N    1 ? 
ATOM   393  C CA   . VAL   A 1 26  ? -5.930  10.197  13.020  1.000 6.299  0 138 VAL   A CA   1 ? 
ATOM   394  C C    . VAL   A 1 26  ? -5.255  11.543  12.990  1.000 6.022  0 138 VAL   A C    1 ? 
ATOM   395  O O    . VAL   A 1 26  ? -4.794  12.023  14.007  1.000 7.329  0 138 VAL   A O    1 ? 
ATOM   396  C CB   . VAL   A 1 26  ? -7.326  10.276  13.642  1.000 6.909  0 138 VAL   A CB   1 ? 
ATOM   397  C CG1  . VAL   A 1 26  ? -8.188  11.239  12.844  1.000 7.548  0 138 VAL   A CG1  1 ? 
ATOM   398  C CG2  . VAL   A 1 26  ? -7.994  8.921   13.771  1.000 8.494  0 138 VAL   A CG2  1 ? 
ATOM   399  H H    . VAL   A 1 26  ? -5.350  8.955   14.553  1.000 5.962  0 138 VAL   A H    1 c 
ATOM   400  H HA   . VAL   A 1 26  ? -6.027  9.883   12.100  1.000 6.216  0 138 VAL   A HA   1 c 
ATOM   401  H HB   . VAL   A 1 26  ? -7.219  10.647  14.549  1.000 7.021  0 138 VAL   A HB   1 c 
ATOM   402  H HG11 . VAL   A 1 26  ? -8.212  10.959  11.914  1.000 7.391  0 138 VAL   A HG11 1 c 
ATOM   403  H HG12 . VAL   A 1 26  ? -7.818  12.134  12.902  1.000 7.501  0 138 VAL   A HG12 1 c 
ATOM   404  H HG13 . VAL   A 1 26  ? -9.091  11.240  13.204  1.000 7.371  0 138 VAL   A HG13 1 c 
ATOM   405  H HG21 . VAL   A 1 26  ? -8.902  9.037   14.097  1.000 7.993  0 138 VAL   A HG21 1 c 
ATOM   406  H HG22 . VAL   A 1 26  ? -7.496  8.369   14.396  1.000 8.026  0 138 VAL   A HG22 1 c 
ATOM   407  H HG23 . VAL   A 1 26  ? -8.016  8.486   12.902  1.000 8.124  0 138 VAL   A HG23 1 c 
ATOM   408  N N    . LYS   A 1 27  ? -5.218  12.209  11.837  1.000 6.388  0 139 LYS   A N    1 ? 
ATOM   409  C CA   . LYS   A 1 27  ? -4.603  13.526  11.770  1.000 7.646  0 139 LYS   A CA   1 ? 
ATOM   410  C C    . LYS   A 1 27  ? -5.411  14.523  12.589  1.000 7.710  0 139 LYS   A C    1 ? 
ATOM   411  O O    . LYS   A 1 27  ? -6.617  14.390  12.804  1.000 8.163  0 139 LYS   A O    1 ? 
ATOM   412  C CB   . LYS   A 1 27  ? -4.535  13.979  10.307  1.000 9.012  0 139 LYS   A CB   1 ? 
ATOM   413  C CG   . LYS   A 1 27  ? -3.492  13.280  9.488   1.000 11.553 0 139 LYS   A CG   1 ? 
ATOM   414  C CD   . LYS   A 1 27  ? -3.371  13.803  8.074   1.000 15.222 0 139 LYS   A CD   1 ? 
ATOM   415  C CE   . LYS   A 1 27  ? -2.323  13.102  7.312   1.000 18.978 0 139 LYS   A CE   1 ? 
ATOM   416  N NZ   . LYS   A 1 27  ? -2.333  13.652  5.948   1.000 23.807 0 139 LYS   A NZ   1 ? 
ATOM   417  H H    . LYS   A 1 27  ? -5.580  11.843  11.082  1.000 6.443  0 139 LYS   A H    1 c 
ATOM   418  H HA   . LYS   A 1 27  ? -3.687  13.461  12.138  1.000 7.564  0 139 LYS   A HA   1 c 
ATOM   419  H HB2  . LYS   A 1 27  ? -5.410  13.831  9.889   1.000 8.960  0 139 LYS   A HB2  1 c 
ATOM   420  H HB3  . LYS   A 1 27  ? -4.352  14.941  10.284  1.000 8.928  0 139 LYS   A HB3  1 c 
ATOM   421  H HG2  . LYS   A 1 27  ? -2.625  13.376  9.939   1.000 11.244 0 139 LYS   A HG2  1 c 
ATOM   422  H HG3  . LYS   A 1 27  ? -3.709  12.323  9.457   1.000 11.331 0 139 LYS   A HG3  1 c 
ATOM   423  H HD2  . LYS   A 1 27  ? -4.232  13.692  7.615   1.000 14.582 0 139 LYS   A HD2  1 c 
ATOM   424  H HD3  . LYS   A 1 27  ? -3.161  14.762  8.103   1.000 14.718 0 139 LYS   A HD3  1 c 
ATOM   425  H HE2  . LYS   A 1 27  ? -1.450  13.247  7.719   1.000 18.557 0 139 LYS   A HE2  1 c 
ATOM   426  H HE3  . LYS   A 1 27  ? -2.506  12.146  7.282   1.000 18.511 0 139 LYS   A HE3  1 c 
ATOM   427  H HZ1  . LYS   A 1 27  ? -2.169  14.543  5.972   1.000 22.399 0 139 LYS   A HZ1  1 c 
ATOM   428  H HZ2  . LYS   A 1 27  ? -3.139  13.507  5.561   1.000 22.149 0 139 LYS   A HZ2  1 c 
ATOM   429  H HZ3  . LYS   A 1 27  ? -1.691  13.247  5.453   1.000 22.400 0 139 LYS   A HZ3  1 c 
ATOM   430  N N    . PRO   A 1 28  ? -4.756  15.596  13.069  1.000 10.184 0 140 PRO   A N    1 ? 
ATOM   431  C CA   . PRO   A 1 28  ? -5.447  16.533  13.943  1.000 11.798 0 140 PRO   A CA   1 ? 
ATOM   432  C C    . PRO   A 1 28  ? -6.685  17.205  13.395  1.000 14.603 0 140 PRO   A C    1 ? 
ATOM   433  O O    . PRO   A 1 28  ? -7.564  17.615  14.148  1.000 18.555 0 140 PRO   A O    1 ? 
ATOM   434  C CB   . PRO   A 1 28  ? -4.375  17.575  14.241  1.000 13.355 0 140 PRO   A CB   1 ? 
ATOM   435  C CG   . PRO   A 1 28  ? -3.059  16.955  13.922  1.000 15.531 0 140 PRO   A CG   1 ? 
ATOM   436  C CD   . PRO   A 1 28  ? -3.314  15.902  12.916  1.000 12.787 0 140 PRO   A CD   1 ? 
ATOM   437  H HA   . PRO   A 1 28  ? -5.678  16.059  14.781  1.000 12.005 0 140 PRO   A HA   1 c 
ATOM   438  H HB2  . PRO   A 1 28  ? -4.516  18.383  13.693  1.000 13.411 0 140 PRO   A HB2  1 c 
ATOM   439  H HB3  . PRO   A 1 28  ? -4.409  17.842  15.189  1.000 13.371 0 140 PRO   A HB3  1 c 
ATOM   440  H HG2  . PRO   A 1 28  ? -2.443  17.627  13.563  1.000 14.516 0 140 PRO   A HG2  1 c 
ATOM   441  H HG3  . PRO   A 1 28  ? -2.659  16.567  14.728  1.000 14.527 0 140 PRO   A HG3  1 c 
ATOM   442  H HD2  . PRO   A 1 28  ? -3.117  16.227  12.010  1.000 12.614 0 140 PRO   A HD2  1 c 
ATOM   443  H HD3  . PRO   A 1 28  ? -2.763  15.109  13.098  1.000 12.438 0 140 PRO   A HD3  1 c 
ATOM   444  N N    . ASN   A 1 29  ? -6.717  17.444  12.109  1.000 15.396 0 141 ASN   A N    1 ? 
ATOM   445  C CA   . ASN   A 1 29  ? -7.886  18.179  11.631  1.000 15.283 0 141 ASN   A CA   1 ? 
ATOM   446  C C    . ASN   A 1 29  ? -8.652  17.294  10.658  1.000 11.722 0 141 ASN   A C    1 ? 
ATOM   447  O O    . ASN   A 1 29  ? -9.152  17.789  9.650   1.000 11.685 0 141 ASN   A O    1 ? 
ATOM   448  C CB   . ASN   A 1 29  ? -7.471  19.500  11.017  1.000 18.532 0 141 ASN   A CB   1 ? 
ATOM   449  C CG   . ASN   A 1 29  ? -6.892  20.434  12.047  1.000 23.450 0 141 ASN   A CG   1 ? 
ATOM   450  O OD1  . ASN   A 1 29  ? -5.710  20.779  11.970  1.000 33.053 0 141 ASN   A OD1  1 ? 
ATOM   451  N ND2  . ASN   A 1 29  ? -7.684  20.794  13.043  1.000 26.847 0 141 ASN   A ND2  1 ? 
ATOM   452  H H    . ASN   A 1 29  ? -6.056  17.180  11.535  1.000 15.260 0 141 ASN   A H    1 c 
ATOM   453  H HA   . ASN   A 1 29  ? -8.473  18.377  12.394  1.000 14.995 0 141 ASN   A HA   1 c 
ATOM   454  H HB2  . ASN   A 1 29  ? -6.806  19.337  10.319  1.000 18.410 0 141 ASN   A HB2  1 c 
ATOM   455  H HB3  . ASN   A 1 29  ? -8.249  19.923  10.603  1.000 18.186 0 141 ASN   A HB3  1 c 
ATOM   456  H HD21 . ASN   A 1 29  ? -8.554  20.622  13.006  1.000 25.793 0 141 ASN   A HD21 1 c 
ATOM   457  H HD22 . ASN   A 1 29  ? -7.343  21.211  13.748  1.000 25.897 0 141 ASN   A HD22 1 c 
ATOM   458  N N    . ALA   A 1 30  ? -8.726  16.006  10.948  1.000 10.232 0 142 ALA   A N    1 ? 
ATOM   459  C CA   . ALA   A 1 30  ? -9.211  15.043  9.980   1.000 9.057  0 142 ALA   A CA   1 ? 
ATOM   460  C C    . ALA   A 1 30  ? -10.609 15.386  9.457   1.000 8.086  0 142 ALA   A C    1 ? 
ATOM   461  O O    . ALA   A 1 30  ? -11.488 15.770  10.207  1.000 8.855  0 142 ALA   A O    1 ? 
ATOM   462  C CB   . ALA   A 1 30  ? -9.176  13.677  10.593  1.000 9.183  0 142 ALA   A CB   1 ? 
ATOM   463  H H    . ALA   A 1 30  ? -8.481  15.713  11.779  1.000 10.223 0 142 ALA   A H    1 c 
ATOM   464  H HA   . ALA   A 1 30  ? -8.584  15.056  9.205   1.000 9.027  0 142 ALA   A HA   1 c 
ATOM   465  H HB1  . ALA   A 1 30  ? -8.264  13.454  10.844  1.000 9.148  0 142 ALA   A HB1  1 c 
ATOM   466  H HB2  . ALA   A 1 30  ? -9.740  13.659  11.384  1.000 9.168  0 142 ALA   A HB2  1 c 
ATOM   467  H HB3  . ALA   A 1 30  ? -9.502  13.023  9.952   1.000 9.178  0 142 ALA   A HB3  1 c 
ATOM   468  N N    . ASN   A 1 31  ? -10.815 15.110  8.164   1.000 7.535  0 143 ASN   A N    1 ? 
ATOM   469  C CA   . ASN   A 1 31  ? -12.116 15.182  7.537   1.000 7.294  0 143 ASN   A CA   1 ? 
ATOM   470  C C    . ASN   A 1 31  ? -12.697 13.826  7.182   1.000 6.432  0 143 ASN   A C    1 ? 
ATOM   471  O O    . ASN   A 1 31  ? -13.907 13.658  7.259   1.000 6.559  0 143 ASN   A O    1 ? 
ATOM   472  C CB   . ASN   A 1 31  ? -12.025 16.059  6.280   1.000 8.773  0 143 ASN   A CB   1 ? 
ATOM   473  C CG   . ASN   A 1 31  ? -11.611 17.461  6.611   1.000 12.018 0 143 ASN   A CG   1 ? 
ATOM   474  O OD1  . ASN   A 1 31  ? -12.176 18.066  7.515   1.000 16.765 0 143 ASN   A OD1  1 ? 
ATOM   475  N ND2  . ASN   A 1 31  ? -10.579 17.969  5.957   1.000 15.399 0 143 ASN   A ND2  1 ? 
ATOM   476  H H    . ASN   A 1 31  ? -10.100 14.875  7.647   1.000 7.591  0 143 ASN   A H    1 c 
ATOM   477  H HA   . ASN   A 1 31  ? -12.735 15.625  8.159   1.000 7.205  0 143 ASN   A HA   1 c 
ATOM   478  H HB2  . ASN   A 1 31  ? -11.378 15.667  5.660   1.000 8.572  0 143 ASN   A HB2  1 c 
ATOM   479  H HB3  . ASN   A 1 31  ? -12.897 16.077  5.836   1.000 8.445  0 143 ASN   A HB3  1 c 
ATOM   480  H HD21 . ASN   A 1 31  ? -10.163 17.493  5.335   1.000 14.309 0 143 ASN   A HD21 1 c 
ATOM   481  H HD22 . ASN   A 1 31  ? -10.302 18.791  6.143   1.000 14.257 0 143 ASN   A HD22 1 c 
ATOM   482  N N    . ARG   A 1 32  ? -11.860 12.893  6.747   1.000 6.634  0 144 ARG   A N    1 ? 
ATOM   483  C CA   . ARG   A 1 32  ? -12.381 11.644  6.212   1.000 6.704  0 144 ARG   A CA   1 ? 
ATOM   484  C C    . ARG   A 1 32  ? -11.300 10.568  6.281   1.000 6.703  0 144 ARG   A C    1 ? 
ATOM   485  O O    . ARG   A 1 32  ? -10.113 10.874  6.203   1.000 7.658  0 144 ARG   A O    1 ? 
ATOM   486  C CB   . ARG   A 1 32  ? -12.830 11.853  4.742   1.000 8.046  0 144 ARG   A CB   1 ? 
ATOM   487  C CG   . ARG   A 1 32  ? -11.685 12.241  3.812   1.000 9.630  0 144 ARG   A CG   1 ? 
ATOM   488  C CD   . ARG   A 1 32  ? -12.079 12.533  2.379   1.000 12.037 0 144 ARG   A CD   1 ? 
ATOM   489  N NE   . ARG   A 1 32  ? -10.881 12.745  1.549   1.000 15.468 0 144 ARG   A NE   1 ? 
ATOM   490  C CZ   . ARG   A 1 32  ? -10.880 12.898  0.218   1.000 20.587 0 144 ARG   A CZ   1 ? 
ATOM   491  N NH1  . ARG   A 1 32  ? -12.014 12.845  -0.450  1.000 24.547 0 144 ARG   A NH1  1 ? 
ATOM   492  N NH2  . ARG   A 1 32  ? -9.744  13.100  -0.441  1.000 22.229 0 144 ARG   A NH2  1 ? 
ATOM   493  H H    . ARG   A 1 32  ? -10.956 13.027  6.775   1.000 6.606  0 144 ARG   A H    1 c 
ATOM   494  H HA   . ARG   A 1 32  ? -13.154 11.362  6.760   1.000 6.792  0 144 ARG   A HA   1 c 
ATOM   495  H HB2  . ARG   A 1 32  ? -13.238 11.023  4.414   1.000 7.868  0 144 ARG   A HB2  1 c 
ATOM   496  H HB3  . ARG   A 1 32  ? -13.515 12.555  4.714   1.000 7.881  0 144 ARG   A HB3  1 c 
ATOM   497  H HG2  . ARG   A 1 32  ? -11.238 13.035  4.179   1.000 9.503  0 144 ARG   A HG2  1 c 
ATOM   498  H HG3  . ARG   A 1 32  ? -11.022 11.517  3.807   1.000 9.502  0 144 ARG   A HG3  1 c 
ATOM   499  H HD2  . ARG   A 1 32  ? -12.597 11.785  2.019   1.000 11.795 0 144 ARG   A HD2  1 c 
ATOM   500  H HD3  . ARG   A 1 32  ? -12.641 13.335  2.350   1.000 11.817 0 144 ARG   A HD3  1 c 
ATOM   501  H HE   . ARG   A 1 32  ? -10.110 12.774  1.953   1.000 15.120 0 144 ARG   A HE   1 c 
ATOM   502  H HH11 . ARG   A 1 32  ? -12.015 12.543  -1.285  1.000 23.293 0 144 ARG   A HH11 1 c 
ATOM   503  H HH12 . ARG   A 1 32  ? -12.769 13.112  -0.069  1.000 23.180 0 144 ARG   A HH12 1 c 
ATOM   504  H HH21 . ARG   A 1 32  ? -9.761  13.244  -1.313  1.000 21.639 0 144 ARG   A HH21 1 c 
ATOM   505  H HH22 . ARG   A 1 32  ? -8.974  13.090  -0.006  1.000 21.670 0 144 ARG   A HH22 1 c 
ATOM   506  N N    . ILE   A 1 33  ? -11.758 9.314   6.406   1.000 6.128  0 145 ILE   A N    1 ? 
ATOM   507  C CA   . ILE   A 1 33  ? -10.924 8.125   6.289   1.000 6.459  0 145 ILE   A CA   1 ? 
ATOM   508  C C    . ILE   A 1 33  ? -11.668 7.128   5.415   1.000 5.862  0 145 ILE   A C    1 ? 
ATOM   509  O O    . ILE   A 1 33  ? -12.894 7.117   5.493   1.000 5.731  0 145 ILE   A O    1 ? 
ATOM   510  C CB   . ILE   A 1 33  ? -10.663 7.523   7.675   1.000 7.477  0 145 ILE   A CB   1 ? 
ATOM   511  C CG1  . ILE   A 1 33  ? -9.982  8.493   8.591   1.000 8.580  0 145 ILE   A CG1  1 ? 
ATOM   512  C CG2  . ILE   A 1 33  ? -9.872  6.233   7.567   1.000 8.530  0 145 ILE   A CG2  1 ? 
ATOM   513  C CD1  . ILE   A 1 33  ? -9.978  8.061   10.047  1.000 9.750  0 145 ILE   A CD1  1 ? 
ATOM   514  H H    . ILE   A 1 33  ? -12.648 9.196   6.577   1.000 6.298  0 145 ILE   A H    1 c 
ATOM   515  H HA   . ILE   A 1 33  ? -10.074 8.360   5.869   1.000 6.376  0 145 ILE   A HA   1 c 
ATOM   516  H HB   . ILE   A 1 33  ? -11.531 7.306   8.070   1.000 7.463  0 145 ILE   A HB   1 c 
ATOM   517  H HG12 . ILE   A 1 33  ? -9.057  8.610   8.293   1.000 8.495  0 145 ILE   A HG12 1 c 
ATOM   518  H HG13 . ILE   A 1 33  ? -10.429 9.360   8.525   1.000 8.481  0 145 ILE   A HG13 1 c 
ATOM   519  H HG21 . ILE   A 1 33  ? -9.658  5.904   8.455   1.000 8.197  0 145 ILE   A HG21 1 c 
ATOM   520  H HG22 . ILE   A 1 33  ? -9.049  6.397   7.077   1.000 8.283  0 145 ILE   A HG22 1 c 
ATOM   521  H HG23 . ILE   A 1 33  ? -10.398 5.564   7.098   1.000 8.273  0 145 ILE   A HG23 1 c 
ATOM   522  H HD11 . ILE   A 1 33  ? -10.893 7.889   10.338  1.000 9.464  0 145 ILE   A HD11 1 c 
ATOM   523  H HD12 . ILE   A 1 33  ? -9.595  8.774   10.593  1.000 9.495  0 145 ILE   A HD12 1 c 
ATOM   524  H HD13 . ILE   A 1 33  ? -9.445  7.251   10.157  1.000 9.496  0 145 ILE   A HD13 1 c 
ATOM   525  N N    . ALA   A 1 34  ? -10.963 6.296   4.655   1.000 5.820  0 146 ALA   A N    1 ? 
ATOM   526  C CA   . ALA   A 1 34  ? -11.644 5.226   3.954   1.000 5.864  0 146 ALA   A CA   1 ? 
ATOM   527  C C    . ALA   A 1 34  ? -10.805 3.977   3.911   1.000 5.586  0 146 ALA   A C    1 ? 
ATOM   528  O O    . ALA   A 1 34  ? -9.613  3.990   3.666   1.000 6.664  0 146 ALA   A O    1 ? 
ATOM   529  C CB   . ALA   A 1 34  ? -12.000 5.606   2.527   1.000 6.506  0 146 ALA   A CB   1 ? 
ATOM   530  H H    . ALA   A 1 34  ? -10.058 6.392   4.570   1.000 5.794  0 146 ALA   A H    1 c 
ATOM   531  H HA   . ALA   A 1 34  ? -12.482 5.018   4.448   1.000 5.822  0 146 ALA   A HA   1 c 
ATOM   532  H HB1  . ALA   A 1 34  ? -12.588 6.380   2.532   1.000 6.283  0 146 ALA   A HB1  1 c 
ATOM   533  H HB2  . ALA   A 1 34  ? -11.191 5.821   2.035   1.000 6.270  0 146 ALA   A HB2  1 c 
ATOM   534  H HB3  . ALA   A 1 34  ? -12.453 4.863   2.094   1.000 6.306  0 146 ALA   A HB3  1 c 
ATOM   535  N N    . LEU   A 1 35  ? -11.495 2.848   4.132   1.000 4.959  0 147 LEU   A N    1 ? 
ATOM   536  C CA   . LEU   A 1 35  ? -11.000 1.514   3.793   1.000 4.966  0 147 LEU   A CA   1 ? 
ATOM   537  C C    . LEU   A 1 35  ? -11.823 0.998   2.628   1.000 4.876  0 147 LEU   A C    1 ? 
ATOM   538  O O    . LEU   A 1 35  ? -13.034 1.084   2.660   1.000 6.318  0 147 LEU   A O    1 ? 
ATOM   539  C CB   . LEU   A 1 35  ? -11.184 0.509   4.939   1.000 5.773  0 147 LEU   A CB   1 ? 
ATOM   540  C CG   . LEU   A 1 35  ? -10.467 0.799   6.229   1.000 9.012  0 147 LEU   A CG   1 ? 
ATOM   541  C CD1  . LEU   A 1 35  ? -10.720 -0.269  7.214   1.000 10.770 0 147 LEU   A CD1  1 ? 
ATOM   542  C CD2  . LEU   A 1 35  ? -9.047  0.972   6.076   1.000 11.433 0 147 LEU   A CD2  1 ? 
ATOM   543  H H    . LEU   A 1 35  ? -12.320 2.912   4.520   1.000 5.091  0 147 LEU   A H    1 c 
ATOM   544  H HA   . LEU   A 1 35  ? -10.047 1.569   3.537   1.000 5.030  0 147 LEU   A HA   1 c 
ATOM   545  H HB2  . LEU   A 1 35  ? -12.146 0.439   5.132   1.000 5.752  0 147 LEU   A HB2  1 c 
ATOM   546  H HB3  . LEU   A 1 35  ? -10.893 -0.376  4.618   1.000 5.776  0 147 LEU   A HB3  1 c 
ATOM   547  H HG   . LEU   A 1 35  ? -10.835 1.643   6.599   1.000 8.607  0 147 LEU   A HG   1 c 
ATOM   548  H HD11 . LEU   A 1 35  ? -11.677 -0.356  7.360   1.000 10.301 0 147 LEU   A HD11 1 c 
ATOM   549  H HD12 . LEU   A 1 35  ? -10.284 -0.048  8.055   1.000 10.323 0 147 LEU   A HD12 1 c 
ATOM   550  H HD13 . LEU   A 1 35  ? -10.367 -1.110  6.879   1.000 10.282 0 147 LEU   A HD13 1 c 
ATOM   551  H HD21 . LEU   A 1 35  ? -8.871  1.737   5.504   1.000 10.588 0 147 LEU   A HD21 1 c 
ATOM   552  H HD22 . LEU   A 1 35  ? -8.665  0.173   5.674   1.000 10.743 0 147 LEU   A HD22 1 c 
ATOM   553  H HD23 . LEU   A 1 35  ? -8.640  1.121   6.946   1.000 10.643 0 147 LEU   A HD23 1 c 
ATOM   554  N N    . ASP   A 1 36  ? -11.162 0.439   1.616   1.000 4.748  0 148 ASP   A N    1 ? 
ATOM   555  C CA   . ASP   A 1 36  ? -11.810 -0.120  0.422   1.000 4.893  0 148 ASP   A CA   1 ? 
ATOM   556  C C    . ASP   A 1 36  ? -11.341 -1.534  0.164   1.000 4.453  0 148 ASP   A C    1 ? 
ATOM   557  O O    . ASP   A 1 36  ? -10.238 -1.745  -0.305  1.000 4.645  0 148 ASP   A O    1 ? 
ATOM   558  C CB   . ASP   A 1 36  ? -11.547 0.747   -0.796  1.000 5.711  0 148 ASP   A CB   1 ? 
ATOM   559  C CG   . ASP   A 1 36  ? -12.226 2.083   -0.749  1.000 7.596  0 148 ASP   A CG   1 ? 
ATOM   560  O OD1  . ASP   A 1 36  ? -13.422 2.121   -0.986  1.000 9.571  0 148 ASP   A OD1  1 ? 
ATOM   561  O OD2  . ASP   A 1 36  ? -11.583 3.070   -0.394  1.000 11.783 0 148 ASP   A OD2  1 ? 
ATOM   562  H H    . ASP   A 1 36  ? -10.250 0.399   1.666   1.000 4.780  0 148 ASP   A H    1 c 
ATOM   563  H HA   . ASP   A 1 36  ? -12.782 -0.135  0.573   1.000 4.864  0 148 ASP   A HA   1 c 
ATOM   564  H HB2  . ASP   A 1 36  ? -10.582 0.893   -0.881  1.000 5.654  0 148 ASP   A HB2  1 c 
ATOM   565  H HB3  . ASP   A 1 36  ? -11.855 0.275   -1.598  1.000 5.616  0 148 ASP   A HB3  1 c 
ATOM   566  N N    . PHE   A 1 37  ? -12.173 -2.516  0.536   1.000 4.339  0 149 PHE   A N    1 ? 
ATOM   567  C CA   . PHE   A 1 37  ? -11.901 -3.929  0.212   1.000 4.248  0 149 PHE   A CA   1 ? 
ATOM   568  C C    . PHE   A 1 37  ? -12.378 -4.151  -1.207  1.000 4.439  0 149 PHE   A C    1 ? 
ATOM   569  O O    . PHE   A 1 37  ? -13.567 -4.026  -1.448  1.000 4.685  0 149 PHE   A O    1 ? 
ATOM   570  C CB   . PHE   A 1 37  ? -12.637 -4.863  1.168   1.000 4.737  0 149 PHE   A CB   1 ? 
ATOM   571  C CG   . PHE   A 1 37  ? -12.096 -4.871  2.573   1.000 5.222  0 149 PHE   A CG   1 ? 
ATOM   572  C CD1  . PHE   A 1 37  ? -12.461 -3.922  3.506   1.000 5.979  0 149 PHE   A CD1  1 ? 
ATOM   573  C CD2  . PHE   A 1 37  ? -11.092 -5.781  2.920   1.000 6.637  0 149 PHE   A CD2  1 ? 
ATOM   574  C CE1  . PHE   A 1 37  ? -11.930 -3.952  4.772   1.000 7.820  0 149 PHE   A CE1  1 ? 
ATOM   575  C CE2  . PHE   A 1 37  ? -10.566 -5.782  4.193   1.000 8.226  0 149 PHE   A CE2  1 ? 
ATOM   576  C CZ   . PHE   A 1 37  ? -10.995 -4.881  5.100   1.000 8.299  0 149 PHE   A CZ   1 ? 
ATOM   577  H H    . PHE   A 1 37  ? -12.930 -2.310  1.006   1.000 4.355  0 149 PHE   A H    1 c 
ATOM   578  H HA   . PHE   A 1 37  ? -10.924 -4.100  0.269   1.000 4.337  0 149 PHE   A HA   1 c 
ATOM   579  H HB2  . PHE   A 1 37  ? -13.584 -4.598  1.195   1.000 4.644  0 149 PHE   A HB2  1 c 
ATOM   580  H HB3  . PHE   A 1 37  ? -12.593 -5.776  0.806   1.000 4.612  0 149 PHE   A HB3  1 c 
ATOM   581  H HD1  . PHE   A 1 37  ? -13.128 -3.289  3.292   1.000 6.043  0 149 PHE   A HD1  1 c 
ATOM   582  H HD2  . PHE   A 1 37  ? -10.809 -6.427  2.292   1.000 6.387  0 149 PHE   A HD2  1 c 
ATOM   583  H HE1  . PHE   A 1 37  ? -12.212 -3.321  5.415   1.000 7.277  0 149 PHE   A HE1  1 c 
ATOM   584  H HE2  . PHE   A 1 37  ? -9.916  -6.422  4.433   1.000 7.630  0 149 PHE   A HE2  1 c 
ATOM   585  H HZ   . PHE   A 1 37  ? -10.621 -4.879  5.966   1.000 8.005  0 149 PHE   A HZ   1 c 
ATOM   586  N N    . GLN   A 1 38  ? -11.446 -4.389  -2.121  1.000 4.364  0 150 GLN   A N    1 ? 
ATOM   587  C CA   . GLN   A 1 38  ? -11.750 -4.398  -3.560  1.000 5.008  0 150 GLN   A CA   1 ? 
ATOM   588  C C    . GLN   A 1 38  ? -11.659 -5.789  -4.167  1.000 4.525  0 150 GLN   A C    1 ? 
ATOM   589  O O    . GLN   A 1 38  ? -10.781 -6.581  -3.825  1.000 5.154  0 150 GLN   A O    1 ? 
ATOM   590  C CB   . GLN   A 1 38  ? -10.804 -3.483  -4.321  1.000 6.275  0 150 GLN   A CB   1 ? 
ATOM   591  C CG   . GLN   A 1 38  ? -11.018 -2.032  -3.899  1.000 8.545  0 150 GLN   A CG   1 ? 
ATOM   592  C CD   . GLN   A 1 38  ? -10.798 -0.948  -4.906  1.000 10.382 0 150 GLN   A CD   1 ? 
ATOM   593  O OE1  . GLN   A 1 38  ? -10.575 0.185   -4.500  1.000 14.607 0 150 GLN   A OE1  1 ? 
ATOM   594  N NE2  . GLN   A 1 38  ? -10.964 -1.194  -6.198  1.000 13.474 0 150 GLN   A NE2  1 ? 
ATOM   595  H H    . GLN   A 1 38  ? -10.588 -4.554  -1.854  1.000 4.476  0 150 GLN   A H    1 c 
ATOM   596  H HA   . GLN   A 1 38  ? -12.672 -4.062  -3.681  1.000 4.902  0 150 GLN   A HA   1 c 
ATOM   597  H HB2  . GLN   A 1 38  ? -9.878  -3.745  -4.137  1.000 6.172  0 150 GLN   A HB2  1 c 
ATOM   598  H HB3  . GLN   A 1 38  ? -10.964 -3.576  -5.281  1.000 6.142  0 150 GLN   A HB3  1 c 
ATOM   599  H HG2  . GLN   A 1 38  ? -11.938 -1.937  -3.572  1.000 8.067  0 150 GLN   A HG2  1 c 
ATOM   600  H HG3  . GLN   A 1 38  ? -10.428 -1.844  -3.139  1.000 8.175  0 150 GLN   A HG3  1 c 
ATOM   601  H HE21 . GLN   A 1 38  ? -11.559 -1.797  -6.466  1.000 12.330 0 150 GLN   A HE21 1 c 
ATOM   602  H HE22 . GLN   A 1 38  ? -10.480 -0.748  -6.796  1.000 12.662 0 150 GLN   A HE22 1 c 
ATOM   603  N N    . ARG   A 1 39  ? -12.595 -6.033  -5.086  1.000 4.531  0 151 ARG   A N    1 ? 
ATOM   604  C CA   . ARG   A 1 39  ? -12.575 -7.145  -6.035  1.000 4.388  0 151 ARG   A CA   1 ? 
ATOM   605  C C    . ARG   A 1 39  ? -12.353 -6.528  -7.413  1.000 4.270  0 151 ARG   A C    1 ? 
ATOM   606  O O    . ARG   A 1 39  ? -13.284 -6.041  -8.045  1.000 4.162  0 151 ARG   A O    1 ? 
ATOM   607  C CB   . ARG   A 1 39  ? -13.898 -7.905  -5.977  1.000 4.423  0 151 ARG   A CB   1 ? 
ATOM   608  C CG   . ARG   A 1 39  ? -13.993 -8.983  -7.034  1.000 4.899  0 151 ARG   A CG   1 ? 
ATOM   609  C CD   . ARG   A 1 39  ? -15.244 -9.837  -6.882  1.000 5.783  0 151 ARG   A CD   1 ? 
ATOM   610  N NE   . ARG   A 1 39  ? -15.375 -10.753 -7.999  1.000 6.267  0 151 ARG   A NE   1 ? 
ATOM   611  C CZ   . ARG   A 1 39  ? -16.179 -10.626 -9.031  1.000 6.936  0 151 ARG   A CZ   1 ? 
ATOM   612  N NH1  . ARG   A 1 39  ? -17.132 -9.718  -9.109  1.000 7.972  0 151 ARG   A NH1  1 ? 
ATOM   613  N NH2  . ARG   A 1 39  ? -16.048 -11.467 -10.033 1.000 7.663  0 151 ARG   A NH2  1 ? 
ATOM   614  H H    . ARG   A 1 39  ? -13.308 -5.462  -5.126  1.000 4.457  0 151 ARG   A H    1 c 
ATOM   615  H HA   . ARG   A 1 39  ? -11.821 -7.747  -5.815  1.000 4.397  0 151 ARG   A HA   1 c 
ATOM   616  H HB2  . ARG   A 1 39  ? -13.993 -8.316  -5.092  1.000 4.497  0 151 ARG   A HB2  1 c 
ATOM   617  H HB3  . ARG   A 1 39  ? -14.638 -7.272  -6.098  1.000 4.500  0 151 ARG   A HB3  1 c 
ATOM   618  H HG2  . ARG   A 1 39  ? -14.000 -8.569  -7.924  1.000 4.860  0 151 ARG   A HG2  1 c 
ATOM   619  H HG3  . ARG   A 1 39  ? -13.203 -9.562  -6.977  1.000 4.880  0 151 ARG   A HG3  1 c 
ATOM   620  H HD2  . ARG   A 1 39  ? -15.189 -10.348 -6.049  1.000 5.667  0 151 ARG   A HD2  1 c 
ATOM   621  H HD3  . ARG   A 1 39  ? -16.032 -9.261  -6.832  1.000 5.672  0 151 ARG   A HD3  1 c 
ATOM   622  H HE   . ARG   A 1 39  ? -14.869 -11.463 -7.983  1.000 6.290  0 151 ARG   A HE   1 c 
ATOM   623  H HH11 . ARG   A 1 39  ? -17.502 -9.536  -9.893  1.000 7.574  0 151 ARG   A HH11 1 c 
ATOM   624  H HH12 . ARG   A 1 39  ? -17.408 -9.292  -8.385  1.000 7.620  0 151 ARG   A HH12 1 c 
ATOM   625  H HH21 . ARG   A 1 39  ? -16.593 -11.414 -10.728 1.000 7.442  0 151 ARG   A HH21 1 c 
ATOM   626  H HH22 . ARG   A 1 39  ? -15.417 -12.085 -10.015 1.000 7.468  0 151 ARG   A HH22 1 c 
ATOM   627  N N    . GLY   A 1 40  ? -11.094 -6.509  -7.847  1.000 4.388  0 152 GLY   A N    1 ? 
ATOM   628  C CA   . GLY   A 1 40  ? -10.775 -5.750  -9.045  1.000 4.507  0 152 GLY   A CA   1 ? 
ATOM   629  C C    . GLY   A 1 40  ? -11.146 -4.282  -8.832  1.000 4.909  0 152 GLY   A C    1 ? 
ATOM   630  O O    . GLY   A 1 40  ? -10.806 -3.686  -7.819  1.000 5.725  0 152 GLY   A O    1 ? 
ATOM   631  H H    . GLY   A 1 40  ? -10.435 -6.963  -7.407  1.000 4.331  0 152 GLY   A H    1 c 
ATOM   632  H HA2  . GLY   A 1 40  ? -9.811  -5.829  -9.237  1.000 4.498  0 152 GLY   A HA2  1 c 
ATOM   633  H HA3  . GLY   A 1 40  ? -11.274 -6.119  -9.807  1.000 4.512  0 152 GLY   A HA3  1 c 
ATOM   634  N N    . ASN   A 1 41  ? -11.907 -3.705  -9.768  1.000 4.704  0 153 ASN   A N    1 ? 
ATOM   635  C CA   . ASN   A 1 41  ? -12.378 -2.335  -9.618  1.000 5.199  0 153 ASN   A CA   1 ? 
ATOM   636  C C    . ASN   A 1 41  ? -13.592 -2.232  -8.699  1.000 5.236  0 153 ASN   A C    1 ? 
ATOM   637  O O    . ASN   A 1 41  ? -13.946 -1.124  -8.310  1.000 6.587  0 153 ASN   A O    1 ? 
ATOM   638  C CB   . ASN   A 1 41  ? -12.727 -1.739  -10.979 1.000 5.757  0 153 ASN   A CB   1 ? 
ATOM   639  C CG   . ASN   A 1 41  ? -13.134 -0.280  -10.894 1.000 6.337  0 153 ASN   A CG   1 ? 
ATOM   640  O OD1  . ASN   A 1 41  ? -12.341 0.541   -10.479 1.000 8.006  0 153 ASN   A OD1  1 ? 
ATOM   641  N ND2  . ASN   A 1 41  ? -14.334 0.043   -11.317 1.000 7.167  0 153 ASN   A ND2  1 ? 
ATOM   642  H H    . ASN   A 1 41  ? -12.137 -4.174  -10.518 1.000 4.707  0 153 ASN   A H    1 c 
ATOM   643  H HA   . ASN   A 1 41  ? -11.649 -1.795  -9.237  1.000 5.097  0 153 ASN   A HA   1 c 
ATOM   644  H HB2  . ASN   A 1 41  ? -11.952 -1.817  -11.569 1.000 5.651  0 153 ASN   A HB2  1 c 
ATOM   645  H HB3  . ASN   A 1 41  ? -13.456 -2.255  -11.374 1.000 5.725  0 153 ASN   A HB3  1 c 
ATOM   646  H HD21 . ASN   A 1 41  ? -14.877 -0.577  -11.643 1.000 6.937  0 153 ASN   A HD21 1 c 
ATOM   647  H HD22 . ASN   A 1 41  ? -14.602 0.888   -11.277 1.000 6.854  0 153 ASN   A HD22 1 c 
ATOM   648  N N    . ASP   A 1 42  ? -14.265 -3.332  -8.406  1.000 4.346  0 154 ASP   A N    1 ? 
ATOM   649  C CA   . ASP   A 1 42  ? -15.401 -3.240  -7.524  1.000 4.696  0 154 ASP   A CA   1 ? 
ATOM   650  C C    . ASP   A 1 42  ? -14.944 -3.072  -6.079  1.000 4.331  0 154 ASP   A C    1 ? 
ATOM   651  O O    . ASP   A 1 42  ? -13.883 -3.521  -5.688  1.000 5.048  0 154 ASP   A O    1 ? 
ATOM   652  C CB   . ASP   A 1 42  ? -16.312 -4.441  -7.665  1.000 5.329  0 154 ASP   A CB   1 ? 
ATOM   653  C CG   . ASP   A 1 42  ? -17.184 -4.398  -8.919  1.000 6.272  0 154 ASP   A CG   1 ? 
ATOM   654  O OD1  . ASP   A 1 42  ? -17.151 -3.377  -9.654  1.000 6.677  0 154 ASP   A OD1  1 ? 
ATOM   655  O OD2  . ASP   A 1 42  ? -17.886 -5.400  -9.142  1.000 7.248  0 154 ASP   A OD2  1 ? 
ATOM   656  H H    . ASP   A 1 42  ? -14.026 -4.142  -8.757  1.000 4.551  0 154 ASP   A H    1 c 
ATOM   657  H HA   . ASP   A 1 42  ? -15.922 -2.446  -7.775  1.000 4.599  0 154 ASP   A HA   1 c 
ATOM   658  H HB2  . ASP   A 1 42  ? -15.773 -5.258  -7.689  1.000 5.324  0 154 ASP   A HB2  1 c 
ATOM   659  H HB3  . ASP   A 1 42  ? -16.902 -4.491  -6.883  1.000 5.300  0 154 ASP   A HB3  1 c 
ATOM   660  N N    . VAL   A 1 43  ? -15.758 -2.361  -5.310  1.000 4.140  0 155 VAL   A N    1 ? 
ATOM   661  C CA   . VAL   A 1 43  ? -15.486 -2.207  -3.888  1.000 4.313  0 155 VAL   A CA   1 ? 
ATOM   662  C C    . VAL   A 1 43  ? -16.517 -3.029  -3.135  1.000 4.096  0 155 VAL   A C    1 ? 
ATOM   663  O O    . VAL   A 1 43  ? -17.685 -2.696  -3.058  1.000 4.204  0 155 VAL   A O    1 ? 
ATOM   664  C CB   . VAL   A 1 43  ? -15.494 -0.747  -3.425  1.000 4.816  0 155 VAL   A CB   1 ? 
ATOM   665  C CG1  . VAL   A 1 43  ? -15.154 -0.681  -1.940  1.000 5.193  0 155 VAL   A CG1  1 ? 
ATOM   666  C CG2  . VAL   A 1 43  ? -14.563 0.118   -4.230  1.000 5.678  0 155 VAL   A CG2  1 ? 
ATOM   667  H H    . VAL   A 1 43  ? -16.498 -1.962  -5.668  1.000 4.188  0 155 VAL   A H    1 c 
ATOM   668  H HA   . VAL   A 1 43  ? -14.602 -2.576  -3.701  1.000 4.299  0 155 VAL   A HA   1 c 
ATOM   669  H HB   . VAL   A 1 43  ? -16.411 -0.405  -3.546  1.000 4.841  0 155 VAL   A HB   1 c 
ATOM   670  H HG11 . VAL   A 1 43  ? -14.318 -1.151  -1.777  1.000 5.108  0 155 VAL   A HG11 1 c 
ATOM   671  H HG12 . VAL   A 1 43  ? -15.864 -1.095  -1.422  1.000 5.095  0 155 VAL   A HG12 1 c 
ATOM   672  H HG13 . VAL   A 1 43  ? -15.060 0.247   -1.671  1.000 5.090  0 155 VAL   A HG13 1 c 
ATOM   673  H HG21 . VAL   A 1 43  ? -14.581 1.025   -3.881  1.000 5.485  0 155 VAL   A HG21 1 c 
ATOM   674  H HG22 . VAL   A 1 43  ? -14.846 0.124   -5.159  1.000 5.431  0 155 VAL   A HG22 1 c 
ATOM   675  H HG23 . VAL   A 1 43  ? -13.659 -0.233  -4.169  1.000 5.430  0 155 VAL   A HG23 1 c 
ATOM   676  N N    . ALA   A 1 44  ? -16.066 -4.181  -2.616  1.000 4.168  0 156 ALA   A N    1 ? 
ATOM   677  C CA   . ALA   A 1 44  ? -16.942 -5.046  -1.853  1.000 4.340  0 156 ALA   A CA   1 ? 
ATOM   678  C C    . ALA   A 1 44  ? -17.414 -4.358  -0.576  1.000 4.287  0 156 ALA   A C    1 ? 
ATOM   679  O O    . ALA   A 1 44  ? -18.582 -4.491  -0.188  1.000 4.806  0 156 ALA   A O    1 ? 
ATOM   680  C CB   . ALA   A 1 44  ? -16.232 -6.347  -1.524  1.000 4.745  0 156 ALA   A CB   1 ? 
ATOM   681  H H    . ALA   A 1 44  ? -15.196 -4.431  -2.743  1.000 4.169  0 156 ALA   A H    1 c 
ATOM   682  H HA   . ALA   A 1 44  ? -17.743 -5.246  -2.410  1.000 4.345  0 156 ALA   A HA   1 c 
ATOM   683  H HB1  . ALA   A 1 44  ? -15.981 -6.800  -2.346  1.000 4.654  0 156 ALA   A HB1  1 c 
ATOM   684  H HB2  . ALA   A 1 44  ? -15.433 -6.161  -1.003  1.000 4.645  0 156 ALA   A HB2  1 c 
ATOM   685  H HB3  . ALA   A 1 44  ? -16.824 -6.922  -1.010  1.000 4.650  0 156 ALA   A HB3  1 c 
ATOM   686  N N    . PHE   A 1 45  ? -16.495 -3.656  0.090   1.000 4.023  0 157 PHE   A N    1 ? 
ATOM   687  C CA   . PHE   A 1 45  ? -16.800 -3.043  1.377   1.000 4.538  0 157 PHE   A CA   1 ? 
ATOM   688  C C    . PHE   A 1 45  ? -15.980 -1.783  1.495   1.000 4.605  0 157 PHE   A C    1 ? 
ATOM   689  O O    . PHE   A 1 45  ? -14.766 -1.832  1.570   1.000 4.595  0 157 PHE   A O    1 ? 
ATOM   690  C CB   . PHE   A 1 45  ? -16.557 -4.027  2.517   1.000 4.711  0 157 PHE   A CB   1 ? 
ATOM   691  C CG   . PHE   A 1 45  ? -16.769 -3.459  3.918   1.000 4.708  0 157 PHE   A CG   1 ? 
ATOM   692  C CD1  . PHE   A 1 45  ? -17.816 -2.611  4.251   1.000 4.925  0 157 PHE   A CD1  1 ? 
ATOM   693  C CD2  . PHE   A 1 45  ? -15.895 -3.815  4.928   1.000 4.694  0 157 PHE   A CD2  1 ? 
ATOM   694  C CE1  . PHE   A 1 45  ? -17.967 -2.162  5.551   1.000 5.055  0 157 PHE   A CE1  1 ? 
ATOM   695  C CE2  . PHE   A 1 45  ? -16.051 -3.360  6.211   1.000 4.868  0 157 PHE   A CE2  1 ? 
ATOM   696  C CZ   . PHE   A 1 45  ? -17.111 -2.540  6.529   1.000 4.681  0 157 PHE   A CZ   1 ? 
ATOM   697  H H    . PHE   A 1 45  ? -15.656 -3.561  -0.258  1.000 4.129  0 157 PHE   A H    1 c 
ATOM   698  H HA   . PHE   A 1 45  ? -17.762 -2.794  1.383   1.000 4.476  0 157 PHE   A HA   1 c 
ATOM   699  H HB2  . PHE   A 1 45  ? -17.157 -4.795  2.395   1.000 4.692  0 157 PHE   A HB2  1 c 
ATOM   700  H HB3  . PHE   A 1 45  ? -15.634 -4.358  2.447   1.000 4.653  0 157 PHE   A HB3  1 c 
ATOM   701  H HD1  . PHE   A 1 45  ? -18.440 -2.356  3.590   1.000 4.710  0 157 PHE   A HD1  1 c 
ATOM   702  H HD2  . PHE   A 1 45  ? -15.179 -4.397  4.730   1.000 4.671  0 157 PHE   A HD2  1 c 
ATOM   703  H HE1  . PHE   A 1 45  ? -18.687 -1.589  5.760   1.000 4.823  0 157 PHE   A HE1  1 c 
ATOM   704  H HE2  . PHE   A 1 45  ? -15.441 -3.624  6.881   1.000 4.676  0 157 PHE   A HE2  1 c 
ATOM   705  H HZ   . PHE   A 1 45  ? -17.210 -2.206  7.406   1.000 4.675  0 157 PHE   A HZ   1 c 
ATOM   706  N N    . HIS   A 1 46  ? -16.696 -0.639  1.456   1.000 4.478  0 158 HIS   A N    1 ? 
ATOM   707  C CA   . HIS   A 1 46  ? -16.147 0.687   1.686   1.000 4.424  0 158 HIS   A CA   1 ? 
ATOM   708  C C    . HIS   A 1 46  ? -16.590 1.112   3.079   1.000 4.243  0 158 HIS   A C    1 ? 
ATOM   709  O O    . HIS   A 1 46  ? -17.770 1.111   3.361   1.000 4.253  0 158 HIS   A O    1 ? 
ATOM   710  C CB   . HIS   A 1 46  ? -16.729 1.640   0.638   1.000 4.708  0 158 HIS   A CB   1 ? 
ATOM   711  C CG   . HIS   A 1 46  ? -16.399 3.079   0.756   1.000 5.018  0 158 HIS   A CG   1 ? 
ATOM   712  N ND1  . HIS   A 1 46  ? -15.208 3.588   0.297   1.000 5.680  0 158 HIS   A ND1  1 ? 
ATOM   713  C CD2  . HIS   A 1 46  ? -17.155 4.134   1.118   1.000 5.827  0 158 HIS   A CD2  1 ? 
ATOM   714  C CE1  . HIS   A 1 46  ? -15.282 4.947   0.439   1.000 6.137  0 158 HIS   A CE1  1 ? 
ATOM   715  N NE2  . HIS   A 1 46  ? -16.460 5.292   0.921   1.000 5.901  0 158 HIS   A NE2  1 ? 
ATOM   716  H H    . HIS   A 1 46  ? -17.588 -0.701  1.269   1.000 4.482  0 158 HIS   A H    1 c 
ATOM   717  H HA   . HIS   A 1 46  ? -15.163 0.667   1.642   1.000 4.448  0 158 HIS   A HA   1 c 
ATOM   718  H HB2  . HIS   A 1 46  ? -16.442 1.330   -0.247  1.000 4.723  0 158 HIS   A HB2  1 c 
ATOM   719  H HB3  . HIS   A 1 46  ? -17.706 1.549   0.652   1.000 4.703  0 158 HIS   A HB3  1 c 
ATOM   720  H HD1  . HIS   A 1 46  ? -14.569 3.122   -0.084  0.000 5.298  0 158 HIS   A HD1  1 c 
ATOM   721  H HD2  . HIS   A 1 46  ? -18.034 4.090   1.442   1.000 5.641  0 158 HIS   A HD2  1 c 
ATOM   722  H HE1  . HIS   A 1 46  ? -14.581 5.542   0.238   1.000 5.978  0 158 HIS   A HE1  1 c 
ATOM   723  H HE2  . HIS   A 1 46  ? -16.717 6.116   1.087   0.000 5.511  0 158 HIS   A HE2  1 c 
ATOM   724  N N    . PHE   A 1 47  ? -15.624 1.403   3.924   1.000 3.967  0 159 PHE   A N    1 ? 
ATOM   725  C CA   . PHE   A 1 47  ? -15.823 1.837   5.309   1.000 4.308  0 159 PHE   A CA   1 ? 
ATOM   726  C C    . PHE   A 1 47  ? -15.277 3.244   5.429   1.000 4.494  0 159 PHE   A C    1 ? 
ATOM   727  O O    . PHE   A 1 47  ? -14.067 3.435   5.290   1.000 4.800  0 159 PHE   A O    1 ? 
ATOM   728  C CB   . PHE   A 1 47  ? -15.106 0.853   6.237   1.000 4.408  0 159 PHE   A CB   1 ? 
ATOM   729  C CG   . PHE   A 1 47  ? -15.075 1.266   7.690   1.000 4.611  0 159 PHE   A CG   1 ? 
ATOM   730  C CD1  . PHE   A 1 47  ? -16.126 0.980   8.533   1.000 4.601  0 159 PHE   A CD1  1 ? 
ATOM   731  C CD2  . PHE   A 1 47  ? -13.990 1.966   8.217   1.000 4.919  0 159 PHE   A CD2  1 ? 
ATOM   732  C CE1  . PHE   A 1 47  ? -16.096 1.347   9.865   1.000 5.210  0 159 PHE   A CE1  1 ? 
ATOM   733  C CE2  . PHE   A 1 47  ? -13.975 2.329   9.561   1.000 5.150  0 159 PHE   A CE2  1 ? 
ATOM   734  C CZ   . PHE   A 1 47  ? -15.015 2.009   10.374  1.000 4.928  0 159 PHE   A CZ   1 ? 
ATOM   735  H H    . PHE   A 1 47  ? -14.763 1.330   3.626   1.000 4.072  0 159 PHE   A H    1 c 
ATOM   736  H HA   . PHE   A 1 47  ? -16.794 1.838   5.519   1.000 4.289  0 159 PHE   A HA   1 c 
ATOM   737  H HB2  . PHE   A 1 47  ? -15.552 -0.021  6.166   1.000 4.421  0 159 PHE   A HB2  1 c 
ATOM   738  H HB3  . PHE   A 1 47  ? -14.184 0.743   5.920   1.000 4.430  0 159 PHE   A HB3  1 c 
ATOM   739  H HD1  . PHE   A 1 47  ? -16.871 0.506   8.198   1.000 4.634  0 159 PHE   A HD1  1 c 
ATOM   740  H HD2  . PHE   A 1 47  ? -13.254 2.176   7.664   1.000 4.800  0 159 PHE   A HD2  1 c 
ATOM   741  H HE1  . PHE   A 1 47  ? -16.823 1.132   10.428  1.000 4.945  0 159 PHE   A HE1  1 c 
ATOM   742  H HE2  . PHE   A 1 47  ? -13.232 2.793   9.912   1.000 4.979  0 159 PHE   A HE2  1 c 
ATOM   743  H HZ   . PHE   A 1 47  ? -15.005 2.273   11.280  1.000 4.953  0 159 PHE   A HZ   1 c 
ATOM   744  N N    . ASN   A 1 48  ? -16.159 4.212   5.671   1.000 4.567  0 160 ASN   A N    1 ? 
ATOM   745  C CA   . ASN   A 1 48  ? -15.831 5.626   5.451   1.000 4.681  0 160 ASN   A CA   1 ? 
ATOM   746  C C    . ASN   A 1 48  ? -16.293 6.512   6.603   1.000 4.656  0 160 ASN   A C    1 ? 
ATOM   747  O O    . ASN   A 1 48  ? -17.352 7.123   6.554   1.000 4.698  0 160 ASN   A O    1 ? 
ATOM   748  C CB   . ASN   A 1 48  ? -16.421 6.054   4.124   1.000 4.734  0 160 ASN   A CB   1 ? 
ATOM   749  C CG   . ASN   A 1 48  ? -16.307 7.522   3.759   1.000 5.309  0 160 ASN   A CG   1 ? 
ATOM   750  O OD1  . ASN   A 1 48  ? -17.249 8.061   3.149   1.000 6.487  0 160 ASN   A OD1  1 ? 
ATOM   751  N ND2  . ASN   A 1 48  ? -15.204 8.198   4.111   1.000 6.154  0 160 ASN   A ND2  1 ? 
ATOM   752  H H    . ASN   A 1 48  ? -16.989 3.996   5.986   1.000 4.540  0 160 ASN   A H    1 c 
ATOM   753  H HA   . ASN   A 1 48  ? -14.857 5.706   5.374   1.000 4.670  0 160 ASN   A HA   1 c 
ATOM   754  H HB2  . ASN   A 1 48  ? -15.988 5.533   3.419   1.000 4.799  0 160 ASN   A HB2  1 c 
ATOM   755  H HB3  . ASN   A 1 48  ? -17.368 5.814   4.119   1.000 4.796  0 160 ASN   A HB3  1 c 
ATOM   756  H HD21 . ASN   A 1 48  ? -14.456 7.761   4.304   1.000 5.845  0 160 ASN   A HD21 1 c 
ATOM   757  H HD22 . ASN   A 1 48  ? -15.225 9.086   4.148   1.000 5.842  0 160 ASN   A HD22 1 c 
ATOM   758  N N    . PRO   A 1 49  ? -15.470 6.652   7.654   1.000 4.867  0 161 PRO   A N    1 ? 
ATOM   759  C CA   . PRO   A 1 49  ? -15.681 7.702   8.664   1.000 4.763  0 161 PRO   A CA   1 ? 
ATOM   760  C C    . PRO   A 1 49  ? -15.596 9.096   8.031   1.000 4.961  0 161 PRO   A C    1 ? 
ATOM   761  O O    . PRO   A 1 49  ? -14.610 9.451   7.389   1.000 5.698  0 161 PRO   A O    1 ? 
ATOM   762  C CB   . PRO   A 1 49  ? -14.538 7.477   9.657   1.000 4.993  0 161 PRO   A CB   1 ? 
ATOM   763  C CG   . PRO   A 1 49  ? -14.180 6.019   9.471   1.000 5.151  0 161 PRO   A CG   1 ? 
ATOM   764  C CD   . PRO   A 1 49  ? -14.335 5.791   7.977   1.000 5.051  0 161 PRO   A CD   1 ? 
ATOM   765  H HA   . PRO   A 1 49  ? -16.554 7.571   9.112   1.000 4.827  0 161 PRO   A HA   1 c 
ATOM   766  H HB2  . PRO   A 1 49  ? -13.769 8.058   9.450   1.000 4.943  0 161 PRO   A HB2  1 c 
ATOM   767  H HB3  . PRO   A 1 49  ? -14.835 7.653   10.581  1.000 4.957  0 161 PRO   A HB3  1 c 
ATOM   768  H HG2  . PRO   A 1 49  ? -13.260 5.844   9.759   1.000 5.094  0 161 PRO   A HG2  1 c 
ATOM   769  H HG3  . PRO   A 1 49  ? -14.788 5.440   9.978   1.000 5.129  0 161 PRO   A HG3  1 c 
ATOM   770  H HD2  . PRO   A 1 49  ? -13.527 6.065   7.493   1.000 5.006  0 161 PRO   A HD2  1 c 
ATOM   771  H HD3  . PRO   A 1 49  ? -14.531 4.849   7.781   1.000 5.049  0 161 PRO   A HD3  1 c 
ATOM   772  N N    . ARG   A 1 50  ? -16.643 9.903   8.284   1.000 5.089  0 162 ARG   A N    1 ? 
ATOM   773  C CA   . ARG   A 1 50  ? -16.727 11.294  7.875   1.000 5.581  0 162 ARG   A CA   1 ? 
ATOM   774  C C    . ARG   A 1 50  ? -16.844 12.141  9.146   1.000 5.777  0 162 ARG   A C    1 ? 
ATOM   775  O O    . ARG   A 1 50  ? -17.747 11.961  9.931   1.000 5.967  0 162 ARG   A O    1 ? 
ATOM   776  C CB   . ARG   A 1 50  ? -17.932 11.524  6.972   1.000 6.051  0 162 ARG   A CB   1 ? 
ATOM   777  C CG   . ARG   A 1 50  ? -17.899 10.691  5.707   1.000 6.107  0 162 ARG   A CG   1 ? 
ATOM   778  C CD   . ARG   A 1 50  ? -19.125 10.945  4.837   1.000 6.270  0 162 ARG   A CD   1 ? 
ATOM   779  N NE   . ARG   A 1 50  ? -19.090 10.060  3.662   1.000 6.003  0 162 ARG   A NE   1 ? 
ATOM   780  C CZ   . ARG   A 1 50  ? -19.968 10.034  2.703   1.000 6.345  0 162 ARG   A CZ   1 ? 
ATOM   781  N NH1  . ARG   A 1 50  ? -21.036 10.786  2.751   1.000 6.868  0 162 ARG   A NH1  1 ? 
ATOM   782  N NH2  . ARG   A 1 50  ? -19.790 9.190   1.691   1.000 6.546  0 162 ARG   A NH2  1 ? 
ATOM   783  H H    . ARG   A 1 50  ? -17.352 9.553   8.743   1.000 5.146  0 162 ARG   A H    1 c 
ATOM   784  H HA   . ARG   A 1 50  ? -15.898 11.538  7.392   1.000 5.572  0 162 ARG   A HA   1 c 
ATOM   785  H HB2  . ARG   A 1 50  ? -18.749 11.311  7.471   1.000 5.962  0 162 ARG   A HB2  1 c 
ATOM   786  H HB3  . ARG   A 1 50  ? -17.969 12.473  6.726   1.000 5.945  0 162 ARG   A HB3  1 c 
ATOM   787  H HG2  . ARG   A 1 50  ? -17.090 10.909  5.194   1.000 6.131  0 162 ARG   A HG2  1 c 
ATOM   788  H HG3  . ARG   A 1 50  ? -17.865 9.739   5.944   1.000 6.131  0 162 ARG   A HG3  1 c 
ATOM   789  H HD2  . ARG   A 1 50  ? -19.939 10.771  5.352   1.000 6.180  0 162 ARG   A HD2  1 c 
ATOM   790  H HD3  . ARG   A 1 50  ? -19.138 11.879  4.543   1.000 6.172  0 162 ARG   A HD3  1 c 
ATOM   791  H HE   . ARG   A 1 50  ? -18.423 9.503   3.602   1.000 6.100  0 162 ARG   A HE   1 c 
ATOM   792  H HH11 . ARG   A 1 50  ? -21.617 10.763  2.084   1.000 6.655  0 162 ARG   A HH11 1 c 
ATOM   793  H HH12 . ARG   A 1 50  ? -21.184 11.316  3.442   1.000 6.701  0 162 ARG   A HH12 1 c 
ATOM   794  H HH21 . ARG   A 1 50  ? -20.378 9.162   1.031   1.000 6.428  0 162 ARG   A HH21 1 c 
ATOM   795  H HH22 . ARG   A 1 50  ? -19.085 8.656   1.676   1.000 6.486  0 162 ARG   A HH22 1 c 
ATOM   796  N N    . PHE   A 1 51  ? -15.868 13.022  9.358   1.000 5.701  0 163 PHE   A N    1 ? 
ATOM   797  C CA   . PHE   A 1 51  ? -15.787 13.807  10.579  1.000 6.401  0 163 PHE   A CA   1 ? 
ATOM   798  C C    . PHE   A 1 51  ? -16.671 15.060  10.569  1.000 7.237  0 163 PHE   A C    1 ? 
ATOM   799  O O    . PHE   A 1 51  ? -16.890 15.622  11.614  1.000 9.327  0 163 PHE   A O    1 ? 
ATOM   800  C CB   . PHE   A 1 51  ? -14.324 14.178  10.839  1.000 6.934  0 163 PHE   A CB   1 ? 
ATOM   801  C CG   . PHE   A 1 51  ? -13.454 13.012  11.259  1.000 6.974  0 163 PHE   A CG   1 ? 
ATOM   802  C CD1  . PHE   A 1 51  ? -13.030 12.063  10.329  1.000 7.493  0 163 PHE   A CD1  1 ? 
ATOM   803  C CD2  . PHE   A 1 51  ? -13.088 12.838  12.583  1.000 8.001  0 163 PHE   A CD2  1 ? 
ATOM   804  C CE1  . PHE   A 1 51  ? -12.242 10.989  10.717  1.000 7.688  0 163 PHE   A CE1  1 ? 
ATOM   805  C CE2  . PHE   A 1 51  ? -12.299 11.749  12.949  1.000 8.153  0 163 PHE   A CE2  1 ? 
ATOM   806  C CZ   . PHE   A 1 51  ? -11.897 10.834  12.017  1.000 8.223  0 163 PHE   A CZ   1 ? 
ATOM   807  H H    . PHE   A 1 51  ? -15.233 13.148  8.713   1.000 5.827  0 163 PHE   A H    1 c 
ATOM   808  H HA   . PHE   A 1 51  ? -16.088 13.230  11.330  1.000 6.361  0 163 PHE   A HA   1 c 
ATOM   809  H HB2  . PHE   A 1 51  ? -13.952 14.574  10.020  1.000 6.787  0 163 PHE   A HB2  1 c 
ATOM   810  H HB3  . PHE   A 1 51  ? -14.297 14.864  11.543  1.000 6.828  0 163 PHE   A HB3  1 c 
ATOM   811  H HD1  . PHE   A 1 51  ? -13.273 12.160  9.423   1.000 7.377  0 163 PHE   A HD1  1 c 
ATOM   812  H HD2  . PHE   A 1 51  ? -13.368 13.461  13.235  1.000 7.698  0 163 PHE   A HD2  1 c 
ATOM   813  H HE1  . PHE   A 1 51  ? -11.960 10.357  10.075  1.000 7.730  0 163 PHE   A HE1  1 c 
ATOM   814  H HE2  . PHE   A 1 51  ? -12.048 11.637  13.853  1.000 8.054  0 163 PHE   A HE2  1 c 
ATOM   815  H HZ   . PHE   A 1 51  ? -11.357 10.105  12.276  1.000 8.064  0 163 PHE   A HZ   1 c 
ATOM   816  N N    . ASN   A 1 52  ? -17.155 15.489  9.401   1.000 7.978  0 164 ASN   A N    1 ? 
ATOM   817  C CA   . ASN   A 1 52  ? -17.969 16.688  9.341   1.000 9.941  0 164 ASN   A CA   1 ? 
ATOM   818  C C    . ASN   A 1 52  ? -18.842 16.634  8.108   1.000 9.848  0 164 ASN   A C    1 ? 
ATOM   819  O O    . ASN   A 1 52  ? -18.590 17.312  7.104   1.000 15.170 0 164 ASN   A O    1 ? 
ATOM   820  C CB   . ASN   A 1 52  ? -17.201 17.980  9.378   1.000 14.122 0 164 ASN   A CB   1 ? 
ATOM   821  C CG   . ASN   A 1 52  ? -18.174 19.161  9.379   1.000 19.475 0 164 ASN   A CG   1 ? 
ATOM   822  O OD1  . ASN   A 1 52  ? -19.393 19.015  9.137   1.000 22.628 0 164 ASN   A OD1  1 ? 
ATOM   823  N ND2  . ASN   A 1 52  ? -17.696 20.359  9.620   1.000 25.087 0 164 ASN   A ND2  1 ? 
ATOM   824  H H    . ASN   A 1 52  ? -16.971 15.034  8.630   1.000 7.941  0 164 ASN   A H    1 c 
ATOM   825  H HA   . ASN   A 1 52  ? -18.563 16.687  10.126  1.000 9.816  0 164 ASN   A HA   1 c 
ATOM   826  H HB2  . ASN   A 1 52  ? -16.648 18.009  10.184  1.000 13.389 0 164 ASN   A HB2  1 c 
ATOM   827  H HB3  . ASN   A 1 52  ? -16.614 18.037  8.598   1.000 13.428 0 164 ASN   A HB3  1 c 
ATOM   828  H HD21 . ASN   A 1 52  ? -16.828 20.469  9.766   1.000 23.204 0 164 ASN   A HD21 1 c 
ATOM   829  H HD22 . ASN   A 1 52  ? -18.241 21.059  9.636   1.000 23.676 0 164 ASN   A HD22 1 c 
ATOM   830  N N    . GLU   A 1 53  ? -19.877 15.815  8.202   1.000 8.762  0 165 GLU   A N    1 ? 
ATOM   831  C CA   . GLU   A 1 53  ? -20.918 15.784  7.200   1.000 8.638  0 165 GLU   A CA   1 ? 
ATOM   832  C C    . GLU   A 1 53  ? -22.102 16.521  7.828   1.000 8.987  0 165 GLU   A C    1 ? 
ATOM   833  O O    . GLU   A 1 53  ? -22.720 16.006  8.761   1.000 9.311  0 165 GLU   A O    1 ? 
ATOM   834  C CB   . GLU   A 1 53  ? -21.314 14.368  6.840   1.000 9.321  0 165 GLU   A CB   1 ? 
ATOM   835  C CG   . GLU   A 1 53  ? -22.310 14.376  5.692   1.000 9.665  0 165 GLU   A CG   1 ? 
ATOM   836  C CD   . GLU   A 1 53  ? -22.897 13.002  5.478   1.000 10.048 0 165 GLU   A CD   1 ? 
ATOM   837  O OE1  . GLU   A 1 53  ? -23.683 12.562  6.345   1.000 11.122 0 165 GLU   A OE1  1 ? 
ATOM   838  O OE2  . GLU   A 1 53  ? -22.618 12.355  4.459   1.000 11.877 0 165 GLU   A OE2  1 ? 
ATOM   839  H H    . GLU   A 1 53  ? -19.939 15.249  8.917   1.000 8.923  0 165 GLU   A H    1 c 
ATOM   840  H HA   . GLU   A 1 53  ? -20.612 16.269  6.393   1.000 8.766  0 165 GLU   A HA   1 c 
ATOM   841  H HB2  . GLU   A 1 53  ? -20.512 13.867  6.582   1.000 9.253  0 165 GLU   A HB2  1 c 
ATOM   842  H HB3  . GLU   A 1 53  ? -21.704 13.931  7.625   1.000 9.302  0 165 GLU   A HB3  1 c 
ATOM   843  H HG2  . GLU   A 1 53  ? -23.036 15.005  5.887   1.000 9.667  0 165 GLU   A HG2  1 c 
ATOM   844  H HG3  . GLU   A 1 53  ? -21.860 14.664  4.869   1.000 9.662  0 165 GLU   A HG3  1 c 
ATOM   845  N N    . ASN   A 1 54  ? -22.418 17.712  7.336   1.000 9.697  0 166 ASN   A N    1 ? 
ATOM   846  C CA   . ASN   A 1 54  ? -23.490 18.479  7.930   1.000 10.926 0 166 ASN   A CA   1 ? 
ATOM   847  C C    . ASN   A 1 54  ? -23.314 18.674  9.444   1.000 8.986  0 166 ASN   A C    1 ? 
ATOM   848  O O    . ASN   A 1 54  ? -24.273 18.611  10.215  1.000 10.896 0 166 ASN   A O    1 ? 
ATOM   849  C CB   . ASN   A 1 54  ? -24.855 17.878  7.615   1.000 14.390 0 166 ASN   A CB   1 ? 
ATOM   850  C CG   . ASN   A 1 54  ? -26.025 18.742  8.021   1.000 18.566 0 166 ASN   A CG   1 ? 
ATOM   851  O OD1  . ASN   A 1 54  ? -27.083 18.214  8.399   1.000 24.017 0 166 ASN   A OD1  1 ? 
ATOM   852  N ND2  . ASN   A 1 54  ? -25.869 20.047  7.921   1.000 18.425 0 166 ASN   A ND2  1 ? 
ATOM   853  H H    . ASN   A 1 54  ? -21.963 18.054  6.621   1.000 9.710  0 166 ASN   A H    1 c 
ATOM   854  H HA   . ASN   A 1 54  ? -23.467 19.370  7.516   1.000 10.744 0 166 ASN   A HA   1 c 
ATOM   855  H HB2  . ASN   A 1 54  ? -24.910 17.710  6.653   1.000 13.982 0 166 ASN   A HB2  1 c 
ATOM   856  H HB3  . ASN   A 1 54  ? -24.933 17.016  8.070   1.000 14.007 0 166 ASN   A HB3  1 c 
ATOM   857  H HD21 . ASN   A 1 54  ? -25.395 20.392  7.253   1.000 18.254 0 166 ASN   A HD21 1 c 
ATOM   858  H HD22 . ASN   A 1 54  ? -26.250 20.582  8.522   1.000 18.205 0 166 ASN   A HD22 1 c 
ATOM   859  N N    . ASN   A 1 55  ? -22.086 18.895  9.849   1.000 8.821  0 167 ASN   A N    1 ? 
ATOM   860  C CA   . ASN   A 1 55  ? -21.769 19.167  11.251  1.000 9.716  0 167 ASN   A CA   1 ? 
ATOM   861  C C    . ASN   A 1 55  ? -22.089 17.986  12.164  1.000 10.025 0 167 ASN   A C    1 ? 
ATOM   862  O O    . ASN   A 1 55  ? -22.282 18.162  13.358  1.000 12.359 0 167 ASN   A O    1 ? 
ATOM   863  C CB   . ASN   A 1 55  ? -22.442 20.432  11.743  1.000 10.452 0 167 ASN   A CB   1 ? 
ATOM   864  C CG   . ASN   A 1 55  ? -21.946 21.594  10.940  1.000 11.353 0 167 ASN   A CG   1 ? 
ATOM   865  O OD1  . ASN   A 1 55  ? -22.721 22.258  10.221  1.000 14.617 0 167 ASN   A OD1  1 ? 
ATOM   866  N ND2  . ASN   A 1 55  ? -20.657 21.806  11.107  1.000 12.956 0 167 ASN   A ND2  1 ? 
ATOM   867  H H    . ASN   A 1 55  ? -21.404 18.892  9.240   1.000 8.962  0 167 ASN   A H    1 c 
ATOM   868  H HA   . ASN   A 1 55  ? -20.799 19.319  11.307  1.000 9.707  0 167 ASN   A HA   1 c 
ATOM   869  H HB2  . ASN   A 1 55  ? -23.412 20.355  11.649  1.000 10.451 0 167 ASN   A HB2  1 c 
ATOM   870  H HB3  . ASN   A 1 55  ? -22.232 20.574  12.687  1.000 10.405 0 167 ASN   A HB3  1 c 
ATOM   871  H HD21 . ASN   A 1 55  ? -20.247 21.529  11.845  1.000 12.410 0 167 ASN   A HD21 1 c 
ATOM   872  H HD22 . ASN   A 1 55  ? -20.200 22.231  10.476  1.000 12.360 0 167 ASN   A HD22 1 c 
ATOM   873  N N    A ARG   A 1 56  ? -22.047 16.785  11.588  0.500 9.653  0 168 ARG   A N    1 ? 
ATOM   874  N N    B ARG   A 1 56  ? -21.984 16.781  11.644  0.500 9.675  0 168 ARG   A N    1 ? 
ATOM   875  C CA   A ARG   A 1 56  ? -22.126 15.511  12.292  0.500 9.915  0 168 ARG   A CA   1 ? 
ATOM   876  C CA   B ARG   A 1 56  ? -22.117 15.576  12.443  0.500 9.915  0 168 ARG   A CA   1 ? 
ATOM   877  C C    A ARG   A 1 56  ? -20.881 14.698  11.965  0.500 8.266  0 168 ARG   A C    1 ? 
ATOM   878  C C    B ARG   A 1 56  ? -21.064 14.586  11.942  0.500 8.456  0 168 ARG   A C    1 ? 
ATOM   879  O O    A ARG   A 1 56  ? -20.239 14.875  10.929  0.500 8.078  0 168 ARG   A O    1 ? 
ATOM   880  O O    B ARG   A 1 56  ? -20.722 14.530  10.765  0.500 8.037  0 168 ARG   A O    1 ? 
ATOM   881  C CB   A ARG   A 1 56  ? -23.345 14.664  11.851  0.500 11.133 0 168 ARG   A CB   1 ? 
ATOM   882  C CB   B ARG   A 1 56  ? -23.558 15.051  12.249  0.500 11.411 0 168 ARG   A CB   1 ? 
ATOM   883  C CG   A ARG   A 1 56  ? -24.604 15.505  11.861  0.500 12.947 0 168 ARG   A CG   1 ? 
ATOM   884  C CG   B ARG   A 1 56  ? -24.730 15.806  12.881  0.500 12.661 0 168 ARG   A CG   1 ? 
ATOM   885  C CD   A ARG   A 1 56  ? -25.924 14.961  12.248  0.500 14.287 0 168 ARG   A CD   1 ? 
ATOM   886  C CD   B ARG   A 1 56  ? -25.750 16.167  11.792  0.500 14.547 0 168 ARG   A CD   1 ? 
ATOM   887  N NE   A ARG   A 1 56  ? -26.851 16.044  12.602  0.500 16.462 0 168 ARG   A NE   1 ? 
ATOM   888  N NE   B ARG   A 1 56  ? -27.000 16.871  12.119  0.500 16.421 0 168 ARG   A NE   1 ? 
ATOM   889  C CZ   A ARG   A 1 56  ? -28.149 15.885  12.680  0.500 16.413 0 168 ARG   A CZ   1 ? 
ATOM   890  C CZ   B ARG   A 1 56  ? -27.136 18.154  12.403  0.500 18.035 0 168 ARG   A CZ   1 ? 
ATOM   891  N NH1  A ARG   A 1 56  ? -28.941 16.923  12.854  0.500 18.550 0 168 ARG   A NH1  1 ? 
ATOM   892  N NH1  B ARG   A 1 56  ? -28.329 18.673  12.424  0.500 21.061 0 168 ARG   A NH1  1 ? 
ATOM   893  N NH2  A ARG   A 1 56  ? -28.645 14.674  12.556  0.500 18.009 0 168 ARG   A NH2  1 ? 
ATOM   894  N NH2  B ARG   A 1 56  ? -26.088 18.929  12.628  0.500 21.877 0 168 ARG   A NH2  1 ? 
ATOM   895  H H    A ARG   A 1 56  ? -21.946 16.753  10.681  0.500 9.704  0 168 ARG   A H    1 c 
ATOM   896  H H    B ARG   A 1 56  ? -21.810 16.693  10.751  0.500 9.746  0 168 ARG   A H    1 c 
ATOM   897  H HA   A ARG   A 1 56  ? -22.162 15.680  13.268  0.500 9.794  0 168 ARG   A HA   1 c 
ATOM   898  H HA   B ARG   A 1 56  ? -21.947 15.791  13.395  0.500 9.783  0 168 ARG   A HA   1 c 
ATOM   899  H HB2  A ARG   A 1 56  ? -23.193 14.315  10.947  0.500 11.061 0 168 ARG   A HB2  1 c 
ATOM   900  H HB2  B ARG   A 1 56  ? -23.722 15.002  11.283  0.500 11.362 0 168 ARG   A HB2  1 c 
ATOM   901  H HB3  A ARG   A 1 56  ? -23.456 13.904  12.461  0.500 11.163 0 168 ARG   A HB3  1 c 
ATOM   902  H HB3  B ARG   A 1 56  ? -23.581 14.131  12.587  0.500 11.220 0 168 ARG   A HB3  1 c 
ATOM   903  H HG2  A ARG   A 1 56  ? -24.429 16.277  12.442  0.500 12.850 0 168 ARG   A HG2  1 c 
ATOM   904  H HG2  B ARG   A 1 56  ? -25.162 15.242  13.558  0.500 12.720 0 168 ARG   A HG2  1 c 
ATOM   905  H HG3  A ARG   A 1 56  ? -24.701 15.887  10.961  0.500 12.714 0 168 ARG   A HG3  1 c 
ATOM   906  H HG3  B ARG   A 1 56  ? -24.405 16.627  13.309  0.500 12.647 0 168 ARG   A HG3  1 c 
ATOM   907  H HD2  A ARG   A 1 56  ? -26.296 14.445  11.503  0.500 14.228 0 168 ARG   A HD2  1 c 
ATOM   908  H HD2  B ARG   A 1 56  ? -25.269 16.697  11.127  0.500 14.333 0 168 ARG   A HD2  1 c 
ATOM   909  H HD3  A ARG   A 1 56  ? -25.819 14.360  13.013  0.500 14.316 0 168 ARG   A HD3  1 c 
ATOM   910  H HD3  B ARG   A 1 56  ? -25.985 15.325  11.351  0.500 14.465 0 168 ARG   A HD3  1 c 
ATOM   911  H HE   A ARG   A 1 56  ? -26.523 16.833  12.769  0.500 16.105 0 168 ARG   A HE   1 c 
ATOM   912  H HE   B ARG   A 1 56  ? -27.731 16.396  12.128  0.500 16.374 0 168 ARG   A HE   1 c 
ATOM   913  H HH11 A ARG   A 1 56  ? -29.815 16.803  12.914  0.500 17.876 0 168 ARG   A HH11 1 c 
ATOM   914  H HH11 B ARG   A 1 56  ? -28.426 19.547  12.516  0.500 20.467 0 168 ARG   A HH11 1 c 
ATOM   915  H HH12 A ARG   A 1 56  ? -28.596 17.734  12.911  0.500 18.020 0 168 ARG   A HH12 1 c 
ATOM   916  H HH12 B ARG   A 1 56  ? -29.038 18.150  12.346  0.500 20.103 0 168 ARG   A HH12 1 c 
ATOM   917  H HH21 A ARG   A 1 56  ? -29.519 14.551  12.607  0.500 17.569 0 168 ARG   A HH21 1 c 
ATOM   918  H HH21 B ARG   A 1 56  ? -26.207 19.786  12.807  0.500 20.852 0 168 ARG   A HH21 1 c 
ATOM   919  H HH22 A ARG   A 1 56  ? -28.103 13.989  12.423  0.500 17.581 0 168 ARG   A HH22 1 c 
ATOM   920  H HH22 B ARG   A 1 56  ? -25.274 18.586  12.598  0.500 20.766 0 168 ARG   A HH22 1 c 
ATOM   921  N N    . ARG   A 1 57  ? -20.596 13.752  12.861  1.000 6.997  0 169 ARG   A N    1 ? 
ATOM   922  C CA   . ARG   A 1 57  ? -19.662 12.674  12.535  1.000 6.495  0 169 ARG   A CA   1 ? 
ATOM   923  C C    . ARG   A 1 57  ? -20.464 11.423  12.231  1.000 6.424  0 169 ARG   A C    1 ? 
ATOM   924  O O    . ARG   A 1 57  ? -21.430 11.111  12.952  1.000 8.866  0 169 ARG   A O    1 ? 
ATOM   925  C CB   . ARG   A 1 57  ? -18.677 12.455  13.667  1.000 7.197  0 169 ARG   A CB   1 ? 
ATOM   926  C CG   . ARG   A 1 57  ? -18.048 13.757  14.114  1.000 8.583  0 169 ARG   A CG   1 ? 
ATOM   927  C CD   . ARG   A 1 57  ? -16.777 13.608  14.895  1.000 9.881  0 169 ARG   A CD   1 ? 
ATOM   928  N NE   . ARG   A 1 57  ? -17.120 12.958  16.151  1.000 10.079 0 169 ARG   A NE   1 ? 
ATOM   929  C CZ   . ARG   A 1 57  ? -16.252 12.496  17.020  1.000 11.189 0 169 ARG   A CZ   1 ? 
ATOM   930  N NH1  . ARG   A 1 57  ? -16.633 11.736  18.022  1.000 12.339 0 169 ARG   A NH1  1 ? 
ATOM   931  N NH2  . ARG   A 1 57  ? -14.979 12.788  16.878  1.000 13.321 0 169 ARG   A NH2  1 ? 
ATOM   932  H H    . ARG   A 1 57  ? -20.920 13.811  13.713  1.000 7.070  0 169 ARG   A H    1 c 
ATOM   933  H HA   . ARG   A 1 57  ? -19.150 12.929  11.729  1.000 6.590  0 169 ARG   A HA   1 c 
ATOM   934  H HB2  . ARG   A 1 57  ? -19.141 12.042  14.426  1.000 7.165  0 169 ARG   A HB2  1 c 
ATOM   935  H HB3  . ARG   A 1 57  ? -17.972 11.841  13.369  1.000 7.091  0 169 ARG   A HB3  1 c 
ATOM   936  H HG2  . ARG   A 1 57  ? -17.866 14.307  13.323  1.000 8.453  0 169 ARG   A HG2  1 c 
ATOM   937  H HG3  . ARG   A 1 57  ? -18.697 14.249  14.663  1.000 8.510  0 169 ARG   A HG3  1 c 
ATOM   938  H HD2  . ARG   A 1 57  ? -16.132 13.060  14.403  1.000 9.671  0 169 ARG   A HD2  1 c 
ATOM   939  H HD3  . ARG   A 1 57  ? -16.378 14.484  15.073  1.000 9.551  0 169 ARG   A HD3  1 c 
ATOM   940  H HE   . ARG   A 1 57  ? -17.964 12.871  16.350  1.000 10.213 0 169 ARG   A HE   1 c 
ATOM   941  H HH11 . ARG   A 1 57  ? -16.045 11.477  18.629  1.000 12.108 0 169 ARG   A HH11 1 c 
ATOM   942  H HH12 . ARG   A 1 57  ? -17.479 11.485  18.088  1.000 12.065 0 169 ARG   A HH12 1 c 
ATOM   943  H HH21 . ARG   A 1 57  ? -14.369 12.289  17.280  1.000 12.426 0 169 ARG   A HH21 1 c 
ATOM   944  H HH22 . ARG   A 1 57  ? -14.729 13.479  16.384  1.000 12.390 0 169 ARG   A HH22 1 c 
ATOM   945  N N    . VAL   A 1 58  ? -20.149 10.737  11.137  1.000 5.701  0 170 VAL   A N    1 ? 
ATOM   946  C CA   . VAL   A 1 58  ? -20.925 9.583   10.714  1.000 5.896  0 170 VAL   A CA   1 ? 
ATOM   947  C C    . VAL   A 1 58  ? -19.993 8.562   10.086  1.000 5.667  0 170 VAL   A C    1 ? 
ATOM   948  O O    . VAL   A 1 58  ? -18.993 8.913   9.505   1.000 6.781  0 170 VAL   A O    1 ? 
ATOM   949  C CB   . VAL   A 1 58  ? -22.044 9.961   9.745   1.000 6.959  0 170 VAL   A CB   1 ? 
ATOM   950  C CG1  . VAL   A 1 58  ? -21.550 10.642  8.491   1.000 8.139  0 170 VAL   A CG1  1 ? 
ATOM   951  C CG2  . VAL   A 1 58  ? -22.979 8.839   9.395   1.000 8.575  0 170 VAL   A CG2  1 ? 
ATOM   952  H H    . VAL   A 1 58  ? -19.429 10.993  10.636  1.000 5.817  0 170 VAL   A H    1 c 
ATOM   953  H HA   . VAL   A 1 58  ? -21.330 9.180   11.506  1.000 5.907  0 170 VAL   A HA   1 c 
ATOM   954  H HB   . VAL   A 1 58  ? -22.594 10.632  10.214  1.000 6.900  0 170 VAL   A HB   1 c 
ATOM   955  H HG11 . VAL   A 1 58  ? -20.969 10.039  7.998   1.000 7.883  0 170 VAL   A HG11 1 c 
ATOM   956  H HG12 . VAL   A 1 58  ? -21.055 11.444  8.729   1.000 7.876  0 170 VAL   A HG12 1 c 
ATOM   957  H HG13 . VAL   A 1 58  ? -22.308 10.886  7.934   1.000 7.789  0 170 VAL   A HG13 1 c 
ATOM   958  H HG21 . VAL   A 1 58  ? -23.694 9.177   8.830   1.000 8.158  0 170 VAL   A HG21 1 c 
ATOM   959  H HG22 . VAL   A 1 58  ? -23.360 8.468   10.209  1.000 8.133  0 170 VAL   A HG22 1 c 
ATOM   960  H HG23 . VAL   A 1 58  ? -22.494 8.145   8.920   1.000 8.226  0 170 VAL   A HG23 1 c 
ATOM   961  N N    . ILE   A 1 59  ? -20.347 7.285   10.224  1.000 5.761  0 171 ILE   A N    1 ? 
ATOM   962  C CA   . ILE   A 1 59  ? -19.687 6.214   9.506   1.000 6.118  0 171 ILE   A CA   1 ? 
ATOM   963  C C    . ILE   A 1 59  ? -20.582 5.809   8.348   1.000 5.412  0 171 ILE   A C    1 ? 
ATOM   964  O O    . ILE   A 1 59  ? -21.713 5.420   8.571   1.000 6.600  0 171 ILE   A O    1 ? 
ATOM   965  C CB   . ILE   A 1 59  ? -19.462 4.981   10.408  1.000 7.296  0 171 ILE   A CB   1 ? 
ATOM   966  C CG1  . ILE   A 1 59  ? -18.850 5.262   11.783  1.000 8.577  0 171 ILE   A CG1  1 ? 
ATOM   967  C CG2  . ILE   A 1 59  ? -18.703 3.896   9.623   1.000 8.125  0 171 ILE   A CG2  1 ? 
ATOM   968  C CD1  . ILE   A 1 59  ? -17.409 5.638   11.652  1.000 9.197  0 171 ILE   A CD1  1 ? 
ATOM   969  H H    . ILE   A 1 59  ? -21.030 7.073   10.792  1.000 5.807  0 171 ILE   A H    1 c 
ATOM   970  H HA   . ILE   A 1 59  ? -18.827 6.527   9.165   1.000 5.992  0 171 ILE   A HA   1 c 
ATOM   971  H HB   . ILE   A 1 59  ? -20.349 4.614   10.586  1.000 7.241  0 171 ILE   A HB   1 c 
ATOM   972  H HG12 . ILE   A 1 59  ? -19.339 5.991   12.217  1.000 8.357  0 171 ILE   A HG12 1 c 
ATOM   973  H HG13 . ILE   A 1 59  ? -18.927 4.462   12.342  1.000 8.365  0 171 ILE   A HG13 1 c 
ATOM   974  H HG21 . ILE   A 1 59  ? -18.452 3.175   10.226  1.000 7.935  0 171 ILE   A HG21 1 c 
ATOM   975  H HG22 . ILE   A 1 59  ? -17.902 4.279   9.228   1.000 7.980  0 171 ILE   A HG22 1 c 
ATOM   976  H HG23 . ILE   A 1 59  ? -19.272 3.542   8.919   1.000 7.873  0 171 ILE   A HG23 1 c 
ATOM   977  H HD11 . ILE   A 1 59  ? -16.897 4.885   11.302  1.000 9.047  0 171 ILE   A HD11 1 c 
ATOM   978  H HD12 . ILE   A 1 59  ? -17.061 5.884   12.530  1.000 9.044  0 171 ILE   A HD12 1 c 
ATOM   979  H HD13 . ILE   A 1 59  ? -17.323 6.399   11.047  1.000 9.036  0 171 ILE   A HD13 1 c 
ATOM   980  N N    . VAL   A 1 60  ? -20.064 5.910   7.118   1.000 5.030  0 172 VAL   A N    1 ? 
ATOM   981  C CA   . VAL   A 1 60  ? -20.764 5.507   5.913   1.000 5.188  0 172 VAL   A CA   1 ? 
ATOM   982  C C    . VAL   A 1 60  ? -20.127 4.233   5.384   1.000 4.853  0 172 VAL   A C    1 ? 
ATOM   983  O O    . VAL   A 1 60  ? -18.919 4.208   5.149   1.000 5.787  0 172 VAL   A O    1 ? 
ATOM   984  C CB   . VAL   A 1 60  ? -20.754 6.616   4.856   1.000 5.890  0 172 VAL   A CB   1 ? 
ATOM   985  C CG1  . VAL   A 1 60  ? -21.457 6.181   3.597   1.000 7.326  0 172 VAL   A CG1  1 ? 
ATOM   986  C CG2  . VAL   A 1 60  ? -21.323 7.895   5.407   1.000 6.800  0 172 VAL   A CG2  1 ? 
ATOM   987  H H    . VAL   A 1 60  ? -19.221 6.252   7.029   1.000 5.080  0 172 VAL   A H    1 c 
ATOM   988  H HA   . VAL   A 1 60  ? -21.693 5.315   6.145   1.000 5.134  0 172 VAL   A HA   1 c 
ATOM   989  H HB   . VAL   A 1 60  ? -19.811 6.785   4.625   1.000 5.938  0 172 VAL   A HB   1 c 
ATOM   990  H HG11 . VAL   A 1 60  ? -22.355 5.879   3.814   1.000 6.927  0 172 VAL   A HG11 1 c 
ATOM   991  H HG12 . VAL   A 1 60  ? -20.964 5.456   3.180   1.000 6.997  0 172 VAL   A HG12 1 c 
ATOM   992  H HG13 . VAL   A 1 60  ? -21.510 6.931   2.980   1.000 6.913  0 172 VAL   A HG13 1 c 
ATOM   993  H HG21 . VAL   A 1 60  ? -21.364 8.563   4.702   1.000 6.519  0 172 VAL   A HG21 1 c 
ATOM   994  H HG22 . VAL   A 1 60  ? -20.756 8.221   6.126   1.000 6.559  0 172 VAL   A HG22 1 c 
ATOM   995  H HG23 . VAL   A 1 60  ? -22.218 7.732   5.749   1.000 6.563  0 172 VAL   A HG23 1 c 
ATOM   996  N N    . CYS   A 1 61  ? -20.946 3.191   5.115   1.000 4.694  0 173 CYS   A N    1 ? 
ATOM   997  C CA   . CYS   A 1 61  ? -20.467 1.979   4.467   1.000 4.623  0 173 CYS   A CA   1 ? 
ATOM   998  C C    . CYS   A 1 61  ? -21.259 1.742   3.187   1.000 4.369  0 173 CYS   A C    1 ? 
ATOM   999  O O    . CYS   A 1 61  ? -22.447 2.040   3.111   1.000 4.794  0 173 CYS   A O    1 ? 
ATOM   1000 C CB   . CYS   A 1 61  ? -20.608 0.779   5.373   1.000 4.990  0 173 CYS   A CB   1 ? 
ATOM   1001 S SG   . CYS   A 1 61  ? -19.624 0.881   6.897   1.000 6.617  0 173 CYS   A SG   1 ? 
ATOM   1002 H H    . CYS   A 1 61  ? -21.829 3.244   5.346   1.000 4.699  0 173 CYS   A H    1 c 
ATOM   1003 H HA   . CYS   A 1 61  ? -19.517 2.107   4.233   1.000 4.630  0 173 CYS   A HA   1 c 
ATOM   1004 H HB2  . CYS   A 1 61  ? -21.554 0.676   5.621   1.000 5.031  0 173 CYS   A HB2  1 c 
ATOM   1005 H HB3  . CYS   A 1 61  ? -20.335 -0.027  4.882   1.000 5.020  0 173 CYS   A HB3  1 c 
ATOM   1006 H HG   . CYS   A 1 61  ? -19.952 -0.186  7.368   0.000 6.664  0 173 CYS   A HG   1 c 
ATOM   1007 N N    . ASN   A 1 62  ? -20.600 1.187   2.181   1.000 4.106  0 174 ASN   A N    1 ? 
ATOM   1008 C CA   . ASN   A 1 62  ? -21.243 0.926   0.905   1.000 4.329  0 174 ASN   A CA   1 ? 
ATOM   1009 C C    . ASN   A 1 62  ? -20.419 -0.070  0.093   1.000 4.028  0 174 ASN   A C    1 ? 
ATOM   1010 O O    . ASN   A 1 62  ? -19.351 -0.485  0.508   1.000 3.998  0 174 ASN   A O    1 ? 
ATOM   1011 C CB   . ASN   A 1 62  ? -21.486 2.231   0.164   1.000 4.630  0 174 ASN   A CB   1 ? 
ATOM   1012 C CG   . ASN   A 1 62  ? -22.677 2.224   -0.771  1.000 4.962  0 174 ASN   A CG   1 ? 
ATOM   1013 O OD1  . ASN   A 1 62  ? -23.247 1.180   -1.106  1.000 5.015  0 174 ASN   A OD1  1 ? 
ATOM   1014 N ND2  . ASN   A 1 62  ? -23.019 3.403   -1.256  1.000 5.222  0 174 ASN   A ND2  1 ? 
ATOM   1015 H H    . ASN   A 1 62  ? -19.721 0.961   2.287   1.000 4.188  0 174 ASN   A H    1 c 
ATOM   1016 H HA   . ASN   A 1 62  ? -22.122 0.520   1.086   1.000 4.289  0 174 ASN   A HA   1 c 
ATOM   1017 H HB2  . ASN   A 1 62  ? -21.611 2.947   0.817   1.000 4.609  0 174 ASN   A HB2  1 c 
ATOM   1018 H HB3  . ASN   A 1 62  ? -20.686 2.447   -0.356  1.000 4.615  0 174 ASN   A HB3  1 c 
ATOM   1019 H HD21 . ASN   A 1 62  ? -22.591 4.133   -0.991  1.000 5.129  0 174 ASN   A HD21 1 c 
ATOM   1020 H HD22 . ASN   A 1 62  ? -23.675 3.467   -1.848  1.000 5.105  0 174 ASN   A HD22 1 c 
ATOM   1021 N N    . THR   A 1 63  ? -20.966 -0.377  -1.081  1.000 4.040  0 175 THR   A N    1 ? 
ATOM   1022 C CA   . THR   A 1 63  ? -20.380 -1.257  -2.098  1.000 4.256  0 175 THR   A CA   1 ? 
ATOM   1023 C C    . THR   A 1 63  ? -20.448 -0.505  -3.431  1.000 4.323  0 175 THR   A C    1 ? 
ATOM   1024 O O    . THR   A 1 63  ? -21.444 0.167   -3.696  1.000 4.811  0 175 THR   A O    1 ? 
ATOM   1025 C CB   . THR   A 1 63  ? -21.172 -2.577  -2.150  1.000 4.446  0 175 THR   A CB   1 ? 
ATOM   1026 O OG1  . THR   A 1 63  ? -20.978 -3.290  -0.911  1.000 4.401  0 175 THR   A OG1  1 ? 
ATOM   1027 C CG2  . THR   A 1 63  ? -20.835 -3.481  -3.329  1.000 4.665  0 175 THR   A CG2  1 ? 
ATOM   1028 H H    . THR   A 1 63  ? -21.791 -0.028  -1.261  1.000 4.066  0 175 THR   A H    1 c 
ATOM   1029 H HA   . THR   A 1 63  ? -19.446 -1.443  -1.867  1.000 4.252  0 175 THR   A HA   1 c 
ATOM   1030 H HB   . THR   A 1 63  ? -22.129 -2.349  -2.228  1.000 4.430  0 175 THR   A HB   1 c 
ATOM   1031 H HG1  . THR   A 1 63  ? -20.140 -3.458  -0.801  0.000 4.232  0 175 THR   A HG1  1 c 
ATOM   1032 H HG21 . THR   A 1 63  ? -21.385 -4.282  -3.289  1.000 4.609  0 175 THR   A HG21 1 c 
ATOM   1033 H HG22 . THR   A 1 63  ? -19.898 -3.731  -3.290  1.000 4.611  0 175 THR   A HG22 1 c 
ATOM   1034 H HG23 . THR   A 1 63  ? -21.011 -3.011  -4.161  1.000 4.618  0 175 THR   A HG23 1 c 
ATOM   1035 N N    . LYS   A 1 64  ? -19.415 -0.668  -4.248  1.000 4.166  0 176 LYS   A N    1 ? 
ATOM   1036 C CA   . LYS   A 1 64  ? -19.369 -0.072  -5.572  1.000 4.894  0 176 LYS   A CA   1 ? 
ATOM   1037 C C    . LYS   A 1 64  ? -19.247 -1.192  -6.590  1.000 5.154  0 176 LYS   A C    1 ? 
ATOM   1038 O O    . LYS   A 1 64  ? -18.327 -2.027  -6.532  1.000 5.787  0 176 LYS   A O    1 ? 
ATOM   1039 C CB   . LYS   A 1 64  ? -18.173 0.871   -5.714  1.000 5.730  0 176 LYS   A CB   1 ? 
ATOM   1040 C CG   . LYS   A 1 64  ? -18.262 1.824   -6.848  1.000 7.629  0 176 LYS   A CG   1 ? 
ATOM   1041 C CD   . LYS   A 1 64  ? -17.035 2.739   -6.923  1.000 11.466 0 176 LYS   A CD   1 ? 
ATOM   1042 C CE   . LYS   A 1 64  ? -17.086 3.926   -7.703  1.000 15.645 0 176 LYS   A CE   1 ? 
ATOM   1043 N NZ   . LYS   A 1 64  ? -15.707 4.413   -7.809  1.000 21.074 0 176 LYS   A NZ   1 ? 
ATOM   1044 H H    . LYS   A 1 64  ? -18.706 -1.174  -3.972  1.000 4.247  0 176 LYS   A H    1 c 
ATOM   1045 H HA   . LYS   A 1 64  ? -20.206 0.429   -5.730  1.000 4.878  0 176 LYS   A HA   1 c 
ATOM   1046 H HB2  . LYS   A 1 64  ? -18.081 1.385   -4.884  1.000 5.722  0 176 LYS   A HB2  1 c 
ATOM   1047 H HB3  . LYS   A 1 64  ? -17.359 0.335   -5.823  1.000 5.761  0 176 LYS   A HB3  1 c 
ATOM   1048 H HG2  . LYS   A 1 64  ? -18.342 1.318   -7.685  1.000 7.452  0 176 LYS   A HG2  1 c 
ATOM   1049 H HG3  . LYS   A 1 64  ? -19.070 2.372   -6.740  1.000 7.410  0 176 LYS   A HG3  1 c 
ATOM   1050 H HD2  . LYS   A 1 64  ? -16.802 2.991   -6.003  1.000 10.683 0 176 LYS   A HD2  1 c 
ATOM   1051 H HD3  . LYS   A 1 64  ? -16.288 2.191   -7.251  1.000 10.862 0 176 LYS   A HD3  1 c 
ATOM   1052 H HE2  . LYS   A 1 64  ? -17.442 3.744   -8.590  1.000 14.980 0 176 LYS   A HE2  1 c 
ATOM   1053 H HE3  . LYS   A 1 64  ? -17.640 4.598   -7.266  1.000 15.038 0 176 LYS   A HE3  1 c 
ATOM   1054 H HZ1  . LYS   A 1 64  ? -15.203 3.829   -8.286  1.000 19.242 0 176 LYS   A HZ1  1 c 
ATOM   1055 H HZ2  . LYS   A 1 64  ? -15.345 4.517   -6.985  1.000 19.220 0 176 LYS   A HZ2  1 c 
ATOM   1056 H HZ3  . LYS   A 1 64  ? -15.703 5.214   -8.233  1.000 19.576 0 176 LYS   A HZ3  1 c 
ATOM   1057 N N    . LEU   A 1 65  ? -20.207 -1.245  -7.520  1.000 5.422  0 177 LEU   A N    1 ? 
ATOM   1058 C CA   . LEU   A 1 65  ? -20.262 -2.287  -8.556  1.000 5.905  0 177 LEU   A CA   1 ? 
ATOM   1059 C C    . LEU   A 1 65  ? -20.300 -1.600  -9.910  1.000 6.936  0 177 LEU   A C    1 ? 
ATOM   1060 O O    . LEU   A 1 65  ? -21.130 -0.724  -10.159 1.000 7.448  0 177 LEU   A O    1 ? 
ATOM   1061 C CB   . LEU   A 1 65  ? -21.506 -3.154  -8.407  1.000 6.872  0 177 LEU   A CB   1 ? 
ATOM   1062 C CG   . LEU   A 1 65  ? -21.625 -3.903  -7.084  1.000 7.561  0 177 LEU   A CG   1 ? 
ATOM   1063 C CD1  . LEU   A 1 65  ? -22.967 -4.597  -6.970  1.000 9.477  0 177 LEU   A CD1  1 ? 
ATOM   1064 C CD2  . LEU   A 1 65  ? -20.514 -4.887  -6.869  1.000 8.841  0 177 LEU   A CD2  1 ? 
ATOM   1065 H H    . LEU   A 1 65  ? -20.860 -0.606  -7.515  1.000 5.334  0 177 LEU   A H    1 c 
ATOM   1066 H HA   . LEU   A 1 65  ? -19.453 -2.850  -8.495  1.000 6.157  0 177 LEU   A HA   1 c 
ATOM   1067 H HB2  . LEU   A 1 65  ? -22.298 -2.577  -8.512  1.000 6.716  0 177 LEU   A HB2  1 c 
ATOM   1068 H HB3  . LEU   A 1 65  ? -21.512 -3.812  -9.140  1.000 6.750  0 177 LEU   A HB3  1 c 
ATOM   1069 H HG   . LEU   A 1 65  ? -21.575 -3.234  -6.354  1.000 7.682  0 177 LEU   A HG   1 c 
ATOM   1070 H HD11 . LEU   A 1 65  ? -23.679 -3.938  -7.025  1.000 8.948  0 177 LEU   A HD11 1 c 
ATOM   1071 H HD12 . LEU   A 1 65  ? -23.022 -5.060  -6.117  1.000 8.974  0 177 LEU   A HD12 1 c 
ATOM   1072 H HD13 . LEU   A 1 65  ? -23.064 -5.239  -7.693  1.000 9.017  0 177 LEU   A HD13 1 c 
ATOM   1073 H HD21 . LEU   A 1 65  ? -19.666 -4.415  -6.815  1.000 8.487  0 177 LEU   A HD21 1 c 
ATOM   1074 H HD22 . LEU   A 1 65  ? -20.488 -5.514  -7.611  1.000 8.522  0 177 LEU   A HD22 1 c 
ATOM   1075 H HD23 . LEU   A 1 65  ? -20.666 -5.372  -6.041  1.000 8.463  0 177 LEU   A HD23 1 c 
ATOM   1076 N N    . ASP   A 1 66  ? -19.383 -1.983  -10.807 1.000 7.515  0 178 ASP   A N    1 ? 
ATOM   1077 C CA   . ASP   A 1 66  ? -19.326 -1.360  -12.124 1.000 8.498  0 178 ASP   A CA   1 ? 
ATOM   1078 C C    . ASP   A 1 66  ? -19.346 0.161   -12.040 1.000 9.271  0 178 ASP   A C    1 ? 
ATOM   1079 O O    . ASP   A 1 66  ? -19.957 0.866   -12.845 1.000 10.476 0 178 ASP   A O    1 ? 
ATOM   1080 C CB   . ASP   A 1 66  ? -20.452 -1.866  -13.005 1.000 10.241 0 178 ASP   A CB   1 ? 
ATOM   1081 C CG   . ASP   A 1 66  ? -20.355 -3.330  -13.382 1.000 11.650 0 178 ASP   A CG   1 ? 
ATOM   1082 O OD1  . ASP   A 1 66  ? -19.259 -3.918  -13.369 1.000 12.330 0 178 ASP   A OD1  1 ? 
ATOM   1083 O OD2  . ASP   A 1 66  ? -21.402 -3.870  -13.695 1.000 17.689 0 178 ASP   A OD2  1 ? 
ATOM   1084 H H    . ASP   A 1 66  ? -18.783 -2.641  -10.600 1.000 7.473  0 178 ASP   A H    1 c 
ATOM   1085 H HA   . ASP   A 1 66  ? -18.481 -1.629  -12.549 1.000 8.580  0 178 ASP   A HA   1 c 
ATOM   1086 H HB2  . ASP   A 1 66  ? -21.309 -1.720  -12.554 1.000 10.017 0 178 ASP   A HB2  1 c 
ATOM   1087 H HB3  . ASP   A 1 66  ? -20.460 -1.350  -13.838 1.000 10.044 0 178 ASP   A HB3  1 c 
ATOM   1088 N N    . ASN   A 1 67  ? -18.624 0.676   -11.060 1.000 9.173  0 179 ASN   A N    1 ? 
ATOM   1089 C CA   . ASN   A 1 67  ? -18.406 2.095   -10.863 1.000 11.386 0 179 ASN   A CA   1 ? 
ATOM   1090 C C    . ASN   A 1 67  ? -19.658 2.820   -10.362 1.000 11.027 0 179 ASN   A C    1 ? 
ATOM   1091 O O    . ASN   A 1 67  ? -19.680 4.038   -10.385 1.000 15.843 0 179 ASN   A O    1 ? 
ATOM   1092 C CB   . ASN   A 1 67  ? -17.761 2.766   -12.072 1.000 12.670 0 179 ASN   A CB   1 ? 
ATOM   1093 C CG   . ASN   A 1 67  ? -16.379 3.316   -11.797 1.000 13.237 0 179 ASN   A CG   1 ? 
ATOM   1094 O OD1  . ASN   A 1 67  ? -15.595 2.798   -10.981 1.000 14.284 0 179 ASN   A OD1  1 ? 
ATOM   1095 N ND2  . ASN   A 1 67  ? -16.074 4.406   -12.469 1.000 15.092 0 179 ASN   A ND2  1 ? 
ATOM   1096 H H    . ASN   A 1 67  ? -18.222 0.102   -10.473 1.000 9.531  0 179 ASN   A H    1 c 
ATOM   1097 H HA   . ASN   A 1 67  ? -17.753 2.167   -10.134 1.000 11.022 0 179 ASN   A HA   1 c 
ATOM   1098 H HB2  . ASN   A 1 67  ? -17.695 2.115   -12.797 1.000 12.497 0 179 ASN   A HB2  1 c 
ATOM   1099 H HB3  . ASN   A 1 67  ? -18.337 3.494   -12.378 1.000 12.645 0 179 ASN   A HB3  1 c 
ATOM   1100 H HD21 . ASN   A 1 67  ? -16.624 4.720   -13.091 1.000 14.385 0 179 ASN   A HD21 1 c 
ATOM   1101 H HD22 . ASN   A 1 67  ? -15.313 4.829   -12.299 1.000 14.384 0 179 ASN   A HD22 1 c 
ATOM   1102 N N    . ASN   A 1 68  ? -20.643 2.099   -9.802  1.000 9.750  0 180 ASN   A N    1 ? 
ATOM   1103 C CA   . ASN   A 1 68  ? -21.864 2.664   -9.230  1.000 10.874 0 180 ASN   A CA   1 ? 
ATOM   1104 C C    . ASN   A 1 68  ? -21.917 2.332   -7.737  1.000 8.083  0 180 ASN   A C    1 ? 
ATOM   1105 O O    . ASN   A 1 68  ? -21.910 1.155   -7.365  1.000 7.949  0 180 ASN   A O    1 ? 
ATOM   1106 C CB   . ASN   A 1 68  ? -23.128 2.071   -9.868  1.000 13.827 0 180 ASN   A CB   1 ? 
ATOM   1107 C CG   . ASN   A 1 68  ? -23.213 2.229   -11.375 1.000 18.598 0 180 ASN   A CG   1 ? 
ATOM   1108 O OD1  . ASN   A 1 68  ? -23.428 1.257   -12.131 1.000 25.379 0 180 ASN   A OD1  1 ? 
ATOM   1109 N ND2  . ASN   A 1 68  ? -22.981 3.428   -11.851 1.000 20.763 0 180 ASN   A ND2  1 ? 
ATOM   1110 H H    . ASN   A 1 68  ? -20.542 1.192   -9.765  1.000 10.138 0 180 ASN   A H    1 c 
ATOM   1111 H HA   . ASN   A 1 68  ? -21.873 3.638   -9.362  1.000 10.304 0 180 ASN   A HA   1 c 
ATOM   1112 H HB2  . ASN   A 1 68  ? -23.169 1.118   -9.653  1.000 13.644 0 180 ASN   A HB2  1 c 
ATOM   1113 H HB3  . ASN   A 1 68  ? -23.910 2.498   -9.465  1.000 13.434 0 180 ASN   A HB3  1 c 
ATOM   1114 H HD21 . ASN   A 1 68  ? -23.112 4.142   -11.339 1.000 19.989 0 180 ASN   A HD21 1 c 
ATOM   1115 H HD22 . ASN   A 1 68  ? -22.695 3.525   -12.686 1.000 20.171 0 180 ASN   A HD22 1 c 
ATOM   1116 N N    . TRP   A 1 69  ? -22.071 3.373   -6.913  1.000 7.593  0 181 TRP   A N    1 ? 
ATOM   1117 C CA   . TRP   A 1 69  ? -22.292 3.155   -5.483  1.000 6.678  0 181 TRP   A CA   1 ? 
ATOM   1118 C C    . TRP   A 1 69  ? -23.716 2.669   -5.233  1.000 7.269  0 181 TRP   A C    1 ? 
ATOM   1119 O O    . TRP   A 1 69  ? -24.684 3.101   -5.861  1.000 10.056 0 181 TRP   A O    1 ? 
ATOM   1120 C CB   . TRP   A 1 69  ? -22.024 4.457   -4.727  1.000 7.320  0 181 TRP   A CB   1 ? 
ATOM   1121 C CG   . TRP   A 1 69  ? -20.584 4.813   -4.612  1.000 7.705  0 181 TRP   A CG   1 ? 
ATOM   1122 C CD1  . TRP   A 1 69  ? -19.933 5.822   -5.243  1.000 8.441  0 181 TRP   A CD1  1 ? 
ATOM   1123 C CD2  . TRP   A 1 69  ? -19.591 4.128   -3.847  1.000 7.051  0 181 TRP   A CD2  1 ? 
ATOM   1124 N NE1  . TRP   A 1 69  ? -18.604 5.809   -4.925  1.000 9.535  0 181 TRP   A NE1  1 ? 
ATOM   1125 C CE2  . TRP   A 1 69  ? -18.364 4.798   -4.041  1.000 7.669  0 181 TRP   A CE2  1 ? 
ATOM   1126 C CE3  . TRP   A 1 69  ? -19.621 3.037   -2.976  1.000 6.444  0 181 TRP   A CE3  1 ? 
ATOM   1127 C CZ2  . TRP   A 1 69  ? -17.178 4.381   -3.442  1.000 8.149  0 181 TRP   A CZ2  1 ? 
ATOM   1128 C CZ3  . TRP   A 1 69  ? -18.446 2.639   -2.393  1.000 7.032  0 181 TRP   A CZ3  1 ? 
ATOM   1129 C CH2  . TRP   A 1 69  ? -17.247 3.269   -2.631  1.000 8.279  0 181 TRP   A CH2  1 ? 
ATOM   1130 H H    . TRP   A 1 69  ? -22.040 4.226   -7.238  1.000 7.345  0 181 TRP   A H    1 c 
ATOM   1131 H HA   . TRP   A 1 69  ? -21.650 2.465   -5.162  1.000 6.865  0 181 TRP   A HA   1 c 
ATOM   1132 H HB2  . TRP   A 1 69  ? -22.496 5.186   -5.184  1.000 7.211  0 181 TRP   A HB2  1 c 
ATOM   1133 H HB3  . TRP   A 1 69  ? -22.402 4.377   -3.825  1.000 7.268  0 181 TRP   A HB3  1 c 
ATOM   1134 H HD1  . TRP   A 1 69  ? -20.331 6.436   -5.840  1.000 8.301  0 181 TRP   A HD1  1 c 
ATOM   1135 H HE1  . TRP   A 1 69  ? -18.011 6.381   -5.213  1.000 8.655  0 181 TRP   A HE1  1 c 
ATOM   1136 H HE3  . TRP   A 1 69  ? -20.424 2.570   -2.816  1.000 6.667  0 181 TRP   A HE3  1 c 
ATOM   1137 H HZ2  . TRP   A 1 69  ? -16.363 4.822   -3.607  1.000 8.015  0 181 TRP   A HZ2  1 c 
ATOM   1138 H HZ3  . TRP   A 1 69  ? -18.457 1.893   -1.816  1.000 7.151  0 181 TRP   A HZ3  1 c 
ATOM   1139 H HH2  . TRP   A 1 69  ? -16.472 2.973   -2.187  1.000 7.913  0 181 TRP   A HH2  1 c 
ATOM   1140 N N    . GLY   A 1 70  ? -23.837 1.756   -4.276  1.000 6.069  0 182 GLY   A N    1 ? 
ATOM   1141 C CA   . GLY   A 1 70  ? -25.140 1.219   -3.926  1.000 5.953  0 182 GLY   A CA   1 ? 
ATOM   1142 C C    . GLY   A 1 70  ? -25.753 1.953   -2.748  1.000 5.989  0 182 GLY   A C    1 ? 
ATOM   1143 O O    . GLY   A 1 70  ? -25.554 3.149   -2.562  1.000 6.213  0 182 GLY   A O    1 ? 
ATOM   1144 H H    . GLY   A 1 70  ? -23.099 1.459   -3.828  1.000 6.234  0 182 GLY   A H    1 c 
ATOM   1145 H HA2  . GLY   A 1 70  ? -25.742 1.285   -4.704  1.000 5.980  0 182 GLY   A HA2  1 c 
ATOM   1146 H HA3  . GLY   A 1 70  ? -25.041 0.264   -3.702  1.000 5.928  0 182 GLY   A HA3  1 c 
ATOM   1147 N N    . ARG   A 1 71  ? -26.595 1.246   -2.007  1.000 6.686  0 183 ARG   A N    1 ? 
ATOM   1148 C CA   . ARG   A 1 71  ? -27.273 1.824   -0.860  1.000 6.949  0 183 ARG   A CA   1 ? 
ATOM   1149 C C    . ARG   A 1 71  ? -26.316 1.970   0.325   1.000 5.813  0 183 ARG   A C    1 ? 
ATOM   1150 O O    . ARG   A 1 71  ? -25.733 1.006   0.778   1.000 6.755  0 183 ARG   A O    1 ? 
ATOM   1151 C CB   . ARG   A 1 71  ? -28.409 0.882   -0.474  1.000 9.782  0 183 ARG   A CB   1 ? 
ATOM   1152 C CG   . ARG   A 1 71  ? -29.120 1.223   0.815   1.000 13.651 0 183 ARG   A CG   1 ? 
ATOM   1153 C CD   . ARG   A 1 71  ? -30.029 0.067   1.245   1.000 16.834 0 183 ARG   A CD   1 ? 
ATOM   1154 N NE   . ARG   A 1 71  ? -29.407 -1.226  1.597   1.000 21.092 0 183 ARG   A NE   1 ? 
ATOM   1155 C CZ   . ARG   A 1 71  ? -28.962 -1.626  2.804   1.000 23.205 0 183 ARG   A CZ   1 ? 
ATOM   1156 N NH1  . ARG   A 1 71  ? -29.207 -0.898  3.882   1.000 28.260 0 183 ARG   A NH1  1 ? 
ATOM   1157 N NH2  . ARG   A 1 71  ? -28.387 -2.816  2.944   1.000 25.096 0 183 ARG   A NH2  1 ? 
ATOM   1158 H H    . ARG   A 1 71  ? -26.757 0.372   -2.222  1.000 6.514  0 183 ARG   A H    1 c 
ATOM   1159 H HA   . ARG   A 1 71  ? -27.635 2.711   -1.111  1.000 6.994  0 183 ARG   A HA   1 c 
ATOM   1160 H HB2  . ARG   A 1 71  ? -29.068 0.875   -1.201  1.000 9.337  0 183 ARG   A HB2  1 c 
ATOM   1161 H HB3  . ARG   A 1 71  ? -28.046 -0.027  -0.397  1.000 9.470  0 183 ARG   A HB3  1 c 
ATOM   1162 H HG2  . ARG   A 1 71  ? -28.464 1.397   1.524   1.000 12.857 0 183 ARG   A HG2  1 c 
ATOM   1163 H HG3  . ARG   A 1 71  ? -29.663 2.032   0.687   1.000 12.945 0 183 ARG   A HG3  1 c 
ATOM   1164 H HD2  . ARG   A 1 71  ? -30.558 0.378   2.007   1.000 16.679 0 183 ARG   A HD2  1 c 
ATOM   1165 H HD3  . ARG   A 1 71  ? -30.659 -0.086  0.512   1.000 16.575 0 183 ARG   A HD3  1 c 
ATOM   1166 H HE   . ARG   A 1 71  ? -29.317 -1.801  0.948   1.000 20.451 0 183 ARG   A HE   1 c 
ATOM   1167 H HH11 . ARG   A 1 71  ? -29.008 -1.221  4.681   1.000 26.711 0 183 ARG   A HH11 1 c 
ATOM   1168 H HH12 . ARG   A 1 71  ? -29.564 -0.094  3.811   1.000 26.608 0 183 ARG   A HH12 1 c 
ATOM   1169 H HH21 . ARG   A 1 71  ? -28.042 -3.051  3.724   1.000 24.544 0 183 ARG   A HH21 1 c 
ATOM   1170 H HH22 . ARG   A 1 71  ? -28.350 -3.372  2.258   1.000 24.478 0 183 ARG   A HH22 1 c 
ATOM   1171 N N    . GLU   A 1 72  ? -26.206 3.187   0.855   1.000 5.803  0 184 GLU   A N    1 ? 
ATOM   1172 C CA   . GLU   A 1 72  ? -25.384 3.411   2.036   1.000 5.679  0 184 GLU   A CA   1 ? 
ATOM   1173 C C    . GLU   A 1 72  ? -25.990 2.776   3.278   1.000 5.732  0 184 GLU   A C    1 ? 
ATOM   1174 O O    . GLU   A 1 72  ? -27.193 2.815   3.476   1.000 7.404  0 184 GLU   A O    1 ? 
ATOM   1175 C CB   . GLU   A 1 72  ? -25.206 4.903   2.278   1.000 6.404  0 184 GLU   A CB   1 ? 
ATOM   1176 C CG   . GLU   A 1 72  ? -24.377 5.579   1.205   1.000 6.527  0 184 GLU   A CG   1 ? 
ATOM   1177 C CD   . GLU   A 1 72  ? -24.145 7.073   1.332   1.000 7.410  0 184 GLU   A CD   1 ? 
ATOM   1178 O OE1  . GLU   A 1 72  ? -24.905 7.735   2.090   1.000 8.949  0 184 GLU   A OE1  1 ? 
ATOM   1179 O OE2  . GLU   A 1 72  ? -23.205 7.574   0.646   1.000 7.444  0 184 GLU   A OE2  1 ? 
ATOM   1180 H H    . GLU   A 1 72  ? -26.649 3.892   0.480   1.000 5.687  0 184 GLU   A H    1 c 
ATOM   1181 H HA   . GLU   A 1 72  ? -24.493 3.010   1.873   1.000 5.762  0 184 GLU   A HA   1 c 
ATOM   1182 H HB2  . GLU   A 1 72  ? -26.089 5.325   2.316   1.000 6.288  0 184 GLU   A HB2  1 c 
ATOM   1183 H HB3  . GLU   A 1 72  ? -24.773 5.035   3.147   1.000 6.272  0 184 GLU   A HB3  1 c 
ATOM   1184 H HG2  . GLU   A 1 72  ? -23.500 5.141   1.173   1.000 6.652  0 184 GLU   A HG2  1 c 
ATOM   1185 H HG3  . GLU   A 1 72  ? -24.803 5.414   0.338   1.000 6.643  0 184 GLU   A HG3  1 c 
ATOM   1186 N N    . GLU   A 1 73  ? -25.106 2.296   4.153   1.000 5.156  0 185 GLU   A N    1 ? 
ATOM   1187 C CA   . GLU   A 1 73  ? -25.430 1.912   5.523   1.000 5.248  0 185 GLU   A CA   1 ? 
ATOM   1188 C C    . GLU   A 1 73  ? -24.711 2.883   6.442   1.000 5.904  0 185 GLU   A C    1 ? 
ATOM   1189 O O    . GLU   A 1 73  ? -23.504 3.016   6.371   1.000 6.933  0 185 GLU   A O    1 ? 
ATOM   1190 C CB   . GLU   A 1 73  ? -25.057 0.475   5.828   1.000 5.913  0 185 GLU   A CB   1 ? 
ATOM   1191 C CG   . GLU   A 1 73  ? -25.737 -0.509  4.890   1.000 6.747  0 185 GLU   A CG   1 ? 
ATOM   1192 C CD   . GLU   A 1 73  ? -25.483 -1.968  5.135   1.000 6.973  0 185 GLU   A CD   1 ? 
ATOM   1193 O OE1  . GLU   A 1 73  ? -25.151 -2.353  6.284   1.000 8.313  0 185 GLU   A OE1  1 ? 
ATOM   1194 O OE2  . GLU   A 1 73  ? -25.646 -2.756  4.207   1.000 7.589  0 185 GLU   A OE2  1 ? 
ATOM   1195 H H    . GLU   A 1 73  ? -24.240 2.198   3.878   1.000 5.244  0 185 GLU   A H    1 c 
ATOM   1196 H HA   . GLU   A 1 73  ? -26.406 2.014   5.653   1.000 5.444  0 185 GLU   A HA   1 c 
ATOM   1197 H HB2  . GLU   A 1 73  ? -24.085 0.376   5.753   1.000 5.901  0 185 GLU   A HB2  1 c 
ATOM   1198 H HB3  . GLU   A 1 73  ? -25.310 0.272   6.752   1.000 5.885  0 185 GLU   A HB3  1 c 
ATOM   1199 H HG2  . GLU   A 1 73  ? -26.705 -0.359  4.933   1.000 6.625  0 185 GLU   A HG2  1 c 
ATOM   1200 H HG3  . GLU   A 1 73  ? -25.459 -0.305  3.972   1.000 6.624  0 185 GLU   A HG3  1 c 
ATOM   1201 N N    . ARG   A 1 74  ? -25.452 3.583   7.293   1.000 6.645  0 186 ARG   A N    1 ? 
ATOM   1202 C CA   . ARG   A 1 74  ? -24.910 4.655   8.128   1.000 7.322  0 186 ARG   A CA   1 ? 
ATOM   1203 C C    . ARG   A 1 74  ? -25.062 4.366   9.618   1.000 9.198  0 186 ARG   A C    1 ? 
ATOM   1204 O O    . ARG   A 1 74  ? -26.064 3.768   10.002  1.000 11.769 0 186 ARG   A O    1 ? 
ATOM   1205 C CB   . ARG   A 1 74  ? -25.639 5.971   7.818   1.000 8.455  0 186 ARG   A CB   1 ? 
ATOM   1206 C CG   . ARG   A 1 74  ? -25.217 6.540   6.479   1.000 8.456  0 186 ARG   A CG   1 ? 
ATOM   1207 C CD   . ARG   A 1 74  ? -26.165 7.565   5.911   1.000 9.837  0 186 ARG   A CD   1 ? 
ATOM   1208 N NE   . ARG   A 1 74  ? -25.545 8.339   4.838   1.000 9.794  0 186 ARG   A NE   1 ? 
ATOM   1209 C CZ   . ARG   A 1 74  ? -24.860 9.444   4.973   1.000 9.142  0 186 ARG   A CZ   1 ? 
ATOM   1210 N NH1  . ARG   A 1 74  ? -24.795 10.047  6.153   1.000 9.906  0 186 ARG   A NH1  1 ? 
ATOM   1211 N NH2  . ARG   A 1 74  ? -24.228 9.932   3.927   1.000 9.124  0 186 ARG   A NH2  1 ? 
ATOM   1212 H H    . ARG   A 1 74  ? -26.342 3.387   7.365   1.000 6.535  0 186 ARG   A H    1 c 
ATOM   1213 H HA   . ARG   A 1 74  ? -23.951 4.763   7.918   1.000 7.559  0 186 ARG   A HA   1 c 
ATOM   1214 H HB2  . ARG   A 1 74  ? -26.607 5.812   7.810   1.000 8.228  0 186 ARG   A HB2  1 c 
ATOM   1215 H HB3  . ARG   A 1 74  ? -25.443 6.626   8.522   1.000 8.144  0 186 ARG   A HB3  1 c 
ATOM   1216 H HG2  . ARG   A 1 74  ? -24.331 6.951   6.575   1.000 8.625  0 186 ARG   A HG2  1 c 
ATOM   1217 H HG3  . ARG   A 1 74  ? -25.129 5.804   5.835   1.000 8.664  0 186 ARG   A HG3  1 c 
ATOM   1218 H HD2  . ARG   A 1 74  ? -26.954 7.105   5.559   1.000 9.525  0 186 ARG   A HD2  1 c 
ATOM   1219 H HD3  . ARG   A 1 74  ? -26.464 8.166   6.621   1.000 9.579  0 186 ARG   A HD3  1 c 
ATOM   1220 H HE   . ARG   A 1 74  ? -25.644 8.036   4.028   1.000 9.624  0 186 ARG   A HE   1 c 
ATOM   1221 H HH11 . ARG   A 1 74  ? -24.360 10.810  6.226   1.000 9.675  0 186 ARG   A HH11 1 c 
ATOM   1222 H HH12 . ARG   A 1 74  ? -25.178 9.696   6.865   1.000 9.705  0 186 ARG   A HH12 1 c 
ATOM   1223 H HH21 . ARG   A 1 74  ? -23.773 10.686  4.000   1.000 9.125  0 186 ARG   A HH21 1 c 
ATOM   1224 H HH22 . ARG   A 1 74  ? -24.257 9.507   3.151   1.000 9.152  0 186 ARG   A HH22 1 c 
ATOM   1225 N N    . GLN   A 1 75  ? -24.066 4.819   10.399  1.000 10.226 0 187 GLN   A N    1 ? 
ATOM   1226 C CA   . GLN   A 1 75  ? -23.907 4.583   11.857  1.000 13.703 0 187 GLN   A CA   1 ? 
ATOM   1227 C C    . GLN   A 1 75  ? -23.546 5.968   12.439  1.000 11.775 0 187 GLN   A C    1 ? 
ATOM   1228 O O    . GLN   A 1 75  ? -22.613 6.579   11.929  1.000 13.324 0 187 GLN   A O    1 ? 
ATOM   1229 C CB   . GLN   A 1 75  ? -22.866 3.431   12.169  1.000 15.290 0 187 GLN   A CB   1 ? 
ATOM   1230 C CG   . GLN   A 1 75  ? -22.600 2.832   13.567  1.000 18.756 0 187 GLN   A CG   1 ? 
ATOM   1231 C CD   . GLN   A 1 75  ? -23.820 2.825   14.469  1.000 24.352 0 187 GLN   A CD   1 ? 
ATOM   1232 O OE1  . GLN   A 1 75  ? -24.134 3.726   15.261  1.000 28.495 0 187 GLN   A OE1  1 ? 
ATOM   1233 N NE2  . GLN   A 1 75  ? -24.593 1.780   14.292  1.000 29.164 0 187 GLN   A NE2  1 ? 
ATOM   1234 H H    . GLN   A 1 75  ? -23.422 5.323   9.991   1.000 10.301 0 187 GLN   A H    1 c 
ATOM   1235 H HA   . GLN   A 1 75  ? -24.788 4.312   12.222  1.000 12.847 0 187 GLN   A HA   1 c 
ATOM   1236 H HB2  . GLN   A 1 75  ? -23.115 2.684   11.587  1.000 15.512 0 187 GLN   A HB2  1 c 
ATOM   1237 H HB3  . GLN   A 1 75  ? -22.005 3.756   11.836  1.000 15.318 0 187 GLN   A HB3  1 c 
ATOM   1238 H HG2  . GLN   A 1 75  ? -22.276 1.912   13.467  1.000 18.424 0 187 GLN   A HG2  1 c 
ATOM   1239 H HG3  . GLN   A 1 75  ? -21.892 3.349   14.007  1.000 18.510 0 187 GLN   A HG3  1 c 
ATOM   1240 H HE21 . GLN   A 1 75  ? -24.426 1.203   13.639  1.000 27.727 0 187 GLN   A HE21 1 c 
ATOM   1241 H HE22 . GLN   A 1 75  ? -25.288 1.650   14.829  1.000 27.835 0 187 GLN   A HE22 1 c 
ATOM   1242 N N    . SER   A 1 76  ? -24.194 6.461   13.508  1.000 10.503 0 188 SER   A N    1 ? 
ATOM   1243 C CA   . SER   A 1 76  ? -23.748 7.668   14.197  1.000 9.488  0 188 SER   A CA   1 ? 
ATOM   1244 C C    . SER   A 1 76  ? -22.795 7.366   15.342  1.000 8.678  0 188 SER   A C    1 ? 
ATOM   1245 O O    . SER   A 1 76  ? -22.083 8.237   15.782  1.000 9.334  0 188 SER   A O    1 ? 
ATOM   1246 C CB   . SER   A 1 76  ? -24.908 8.480   14.718  1.000 11.542 0 188 SER   A CB   1 ? 
ATOM   1247 O OG   . SER   A 1 76  ? -25.619 9.084   13.644  1.000 14.548 0 188 SER   A OG   1 ? 
ATOM   1248 H H    . SER   A 1 76  ? -24.938 6.028   13.817  1.000 10.365 0 188 SER   A H    1 c 
ATOM   1249 H HA   . SER   A 1 76  ? -23.261 8.227   13.541  1.000 9.794  0 188 SER   A HA   1 c 
ATOM   1250 H HB2  . SER   A 1 76  ? -25.510 7.900   15.223  1.000 11.496 0 188 SER   A HB2  1 c 
ATOM   1251 H HB3  . SER   A 1 76  ? -24.576 9.175   15.318  1.000 11.432 0 188 SER   A HB3  1 c 
ATOM   1252 H HG   . SER   A 1 76  ? -26.258 9.533   13.964  0.000 14.770 0 188 SER   A HG   1 c 
ATOM   1253 N N    . VAL   A 1 77  ? -22.730 6.125   15.832  1.000 9.060  0 189 VAL   A N    1 ? 
ATOM   1254 C CA   . VAL   A 1 77  ? -21.701 5.823   16.808  1.000 9.025  0 189 VAL   A CA   1 ? 
ATOM   1255 C C    . VAL   A 1 77  ? -20.350 5.946   16.097  1.000 7.693  0 189 VAL   A C    1 ? 
ATOM   1256 O O    . VAL   A 1 77  ? -20.134 5.302   15.067  1.000 8.877  0 189 VAL   A O    1 ? 
ATOM   1257 C CB   . VAL   A 1 77  ? -21.912 4.476   17.504  1.000 10.734 0 189 VAL   A CB   1 ? 
ATOM   1258 C CG1  . VAL   A 1 77  ? -20.708 4.074   18.332  1.000 12.350 0 189 VAL   A CG1  1 ? 
ATOM   1259 C CG2  . VAL   A 1 77  ? -23.150 4.488   18.399  1.000 12.463 0 189 VAL   A CG2  1 ? 
ATOM   1260 H H    . VAL   A 1 77  ? -23.320 5.477   15.573  1.000 9.008  0 189 VAL   A H    1 c 
ATOM   1261 H HA   . VAL   A 1 77  ? -21.740 6.514   17.498  1.000 8.947  0 189 VAL   A HA   1 c 
ATOM   1262 H HB   . VAL   A 1 77  ? -22.042 3.797   16.801  1.000 10.726 0 189 VAL   A HB   1 c 
ATOM   1263 H HG11 . VAL   A 1 77  ? -20.487 4.790   18.952  1.000 11.997 0 189 VAL   A HG11 1 c 
ATOM   1264 H HG12 . VAL   A 1 77  ? -19.950 3.905   17.748  1.000 11.919 0 189 VAL   A HG12 1 c 
ATOM   1265 H HG13 . VAL   A 1 77  ? -20.914 3.266   18.832  1.000 12.006 0 189 VAL   A HG13 1 c 
ATOM   1266 H HG21 . VAL   A 1 77  ? -23.278 3.606   18.788  1.000 12.046 0 189 VAL   A HG21 1 c 
ATOM   1267 H HG22 . VAL   A 1 77  ? -23.930 4.725   17.871  1.000 12.015 0 189 VAL   A HG22 1 c 
ATOM   1268 H HG23 . VAL   A 1 77  ? -23.030 5.139   19.109  1.000 12.130 0 189 VAL   A HG23 1 c 
ATOM   1269 N N    . PHE   A 1 78  ? -19.480 6.792   16.630  1.000 7.460  0 190 PHE   A N    1 ? 
ATOM   1270 C CA   . PHE   A 1 78  ? -18.306 7.257   15.936  1.000 6.647  0 190 PHE   A CA   1 ? 
ATOM   1271 C C    . PHE   A 1 78  ? -17.131 7.201   16.887  1.000 7.093  0 190 PHE   A C    1 ? 
ATOM   1272 O O    . PHE   A 1 78  ? -16.984 8.077   17.720  1.000 8.928  0 190 PHE   A O    1 ? 
ATOM   1273 C CB   . PHE   A 1 78  ? -18.551 8.662   15.385  1.000 6.678  0 190 PHE   A CB   1 ? 
ATOM   1274 C CG   . PHE   A 1 78  ? -17.490 9.107   14.416  1.000 5.880  0 190 PHE   A CG   1 ? 
ATOM   1275 C CD1  . PHE   A 1 78  ? -16.322 9.672   14.862  1.000 5.927  0 190 PHE   A CD1  1 ? 
ATOM   1276 C CD2  . PHE   A 1 78  ? -17.687 8.978   13.040  1.000 5.801  0 190 PHE   A CD2  1 ? 
ATOM   1277 C CE1  . PHE   A 1 78  ? -15.383 10.180  13.965  1.000 6.152  0 190 PHE   A CE1  1 ? 
ATOM   1278 C CE2  . PHE   A 1 78  ? -16.746 9.439   12.151  1.000 5.892  0 190 PHE   A CE2  1 ? 
ATOM   1279 C CZ   . PHE   A 1 78  ? -15.594 10.030  12.613  1.000 6.136  0 190 PHE   A CZ   1 ? 
ATOM   1280 H H    . PHE   A 1 78  ? -19.628 7.095   17.480  1.000 7.275  0 190 PHE   A H    1 c 
ATOM   1281 H HA   . PHE   A 1 78  ? -18.128 6.652   15.171  1.000 6.853  0 190 PHE   A HA   1 c 
ATOM   1282 H HB2  . PHE   A 1 78  ? -19.424 8.674   14.932  1.000 6.487  0 190 PHE   A HB2  1 c 
ATOM   1283 H HB3  . PHE   A 1 78  ? -18.587 9.295   16.135  1.000 6.528  0 190 PHE   A HB3  1 c 
ATOM   1284 H HD1  . PHE   A 1 78  ? -16.194 9.798   15.789  1.000 5.932  0 190 PHE   A HD1  1 c 
ATOM   1285 H HD2  . PHE   A 1 78  ? -18.486 8.593   12.718  1.000 5.776  0 190 PHE   A HD2  1 c 
ATOM   1286 H HE1  . PHE   A 1 78  ? -14.579 10.558  14.283  1.000 6.036  0 190 PHE   A HE1  1 c 
ATOM   1287 H HE2  . PHE   A 1 78  ? -16.889 9.344   11.222  1.000 5.829  0 190 PHE   A HE2  1 c 
ATOM   1288 H HZ   . PHE   A 1 78  ? -14.939 10.325  12.001  1.000 6.038  0 190 PHE   A HZ   1 c 
ATOM   1289 N N    . PRO   A 1 79  ? -16.275 6.183   16.774  1.000 7.075  0 191 PRO   A N    1 ? 
ATOM   1290 C CA   . PRO   A 1 79  ? -15.262 5.956   17.785  1.000 8.320  0 191 PRO   A CA   1 ? 
ATOM   1291 C C    . PRO   A 1 79  ? -13.948 6.668   17.596  1.000 8.377  0 191 PRO   A C    1 ? 
ATOM   1292 O O    . PRO   A 1 79  ? -13.081 6.527   18.432  1.000 12.705 0 191 PRO   A O    1 ? 
ATOM   1293 C CB   . PRO   A 1 79  ? -15.072 4.451   17.727  1.000 8.953  0 191 PRO   A CB   1 ? 
ATOM   1294 C CG   . PRO   A 1 79  ? -15.327 4.128   16.298  1.000 9.042  0 191 PRO   A CG   1 ? 
ATOM   1295 C CD   . PRO   A 1 79  ? -16.442 5.034   15.889  1.000 7.933  0 191 PRO   A CD   1 ? 
ATOM   1296 H HA   . PRO   A 1 79  ? -15.639 6.198   18.669  1.000 8.094  0 191 PRO   A HA   1 c 
ATOM   1297 H HB2  . PRO   A 1 79  ? -14.156 4.196   17.990  1.000 8.807  0 191 PRO   A HB2  1 c 
ATOM   1298 H HB3  . PRO   A 1 79  ? -15.717 3.991   18.314  1.000 8.772  0 191 PRO   A HB3  1 c 
ATOM   1299 H HG2  . PRO   A 1 79  ? -14.528 4.294   15.756  1.000 8.788  0 191 PRO   A HG2  1 c 
ATOM   1300 H HG3  . PRO   A 1 79  ? -15.588 3.189   16.195  1.000 8.662  0 191 PRO   A HG3  1 c 
ATOM   1301 H HD2  . PRO   A 1 79  ? -16.354 5.296   14.946  1.000 7.919  0 191 PRO   A HD2  1 c 
ATOM   1302 H HD3  . PRO   A 1 79  ? -17.315 4.603   16.027  1.000 7.876  0 191 PRO   A HD3  1 c 
ATOM   1303 N N    . PHE   A 1 80  ? -13.785 7.372   16.489  1.000 6.215  0 192 PHE   A N    1 ? 
ATOM   1304 C CA   . PHE   A 1 80  ? -12.539 8.009   16.170  1.000 5.870  0 192 PHE   A CA   1 ? 
ATOM   1305 C C    . PHE   A 1 80  ? -12.487 9.401   16.768  1.000 6.272  0 192 PHE   A C    1 ? 
ATOM   1306 O O    . PHE   A 1 80  ? -13.496 10.073  16.892  1.000 8.247  0 192 PHE   A O    1 ? 
ATOM   1307 C CB   . PHE   A 1 80  ? -12.329 8.106   14.648  1.000 5.601  0 192 PHE   A CB   1 ? 
ATOM   1308 C CG   . PHE   A 1 80  ? -12.334 6.779   13.937  1.000 5.073  0 192 PHE   A CG   1 ? 
ATOM   1309 C CD1  . PHE   A 1 80  ? -11.191 6.006   13.880  1.000 5.325  0 192 PHE   A CD1  1 ? 
ATOM   1310 C CD2  . PHE   A 1 80  ? -13.489 6.285   13.387  1.000 5.439  0 192 PHE   A CD2  1 ? 
ATOM   1311 C CE1  . PHE   A 1 80  ? -11.220 4.769   13.272  1.000 5.715  0 192 PHE   A CE1  1 ? 
ATOM   1312 C CE2  . PHE   A 1 80  ? -13.507 5.063   12.775  1.000 5.744  0 192 PHE   A CE2  1 ? 
ATOM   1313 C CZ   . PHE   A 1 80  ? -12.370 4.295   12.715  1.000 5.556  0 192 PHE   A CZ   1 ? 
ATOM   1314 H H    . PHE   A 1 80  ? -14.482 7.460   15.904  1.000 6.415  0 192 PHE   A H    1 c 
ATOM   1315 H HA   . PHE   A 1 80  ? -11.799 7.469   16.555  1.000 5.933  0 192 PHE   A HA   1 c 
ATOM   1316 H HB2  . PHE   A 1 80  ? -13.038 8.671   14.271  1.000 5.517  0 192 PHE   A HB2  1 c 
ATOM   1317 H HB3  . PHE   A 1 80  ? -11.469 8.552   14.480  1.000 5.519  0 192 PHE   A HB3  1 c 
ATOM   1318 H HD1  . PHE   A 1 80  ? -10.392 6.321   14.272  1.000 5.316  0 192 PHE   A HD1  1 c 
ATOM   1319 H HD2  . PHE   A 1 80  ? -14.281 6.798   13.428  1.000 5.376  0 192 PHE   A HD2  1 c 
ATOM   1320 H HE1  . PHE   A 1 80  ? -10.430 4.254   13.226  1.000 5.520  0 192 PHE   A HE1  1 c 
ATOM   1321 H HE2  . PHE   A 1 80  ? -14.308 4.745   12.392  1.000 5.606  0 192 PHE   A HE2  1 c 
ATOM   1322 H HZ   . PHE   A 1 80  ? -12.382 3.456   12.282  1.000 5.500  0 192 PHE   A HZ   1 c 
ATOM   1323 N N    . GLU   A 1 81  ? -11.273 9.860   17.058  1.000 6.372  0 193 GLU   A N    1 ? 
ATOM   1324 C CA   . GLU   A 1 81  ? -11.050 11.203  17.549  1.000 6.329  0 193 GLU   A CA   1 ? 
ATOM   1325 C C    . GLU   A 1 81  ? -9.824  11.745  16.841  1.000 6.648  0 193 GLU   A C    1 ? 
ATOM   1326 O O    . GLU   A 1 81  ? -8.795  11.069  16.700  1.000 7.247  0 193 GLU   A O    1 ? 
ATOM   1327 C CB   . GLU   A 1 81  ? -10.828 11.240  19.072  1.000 7.006  0 193 GLU   A CB   1 ? 
ATOM   1328 C CG   . GLU   A 1 81  ? -12.035 10.755  19.871  1.000 8.266  0 193 GLU   A CG   1 ? 
ATOM   1329 C CD   . GLU   A 1 81  ? -13.243 11.675  19.797  1.000 9.595  0 193 GLU   A CD   1 ? 
ATOM   1330 O OE1  . GLU   A 1 81  ? -13.112 12.875  19.545  1.000 10.306 0 193 GLU   A OE1  1 ? 
ATOM   1331 O OE2  . GLU   A 1 81  ? -14.366 11.167  19.954  1.000 13.088 0 193 GLU   A OE2  1 ? 
ATOM   1332 H H    . GLU   A 1 81  ? -10.552 9.310   16.945  1.000 6.302  0 193 GLU   A H    1 c 
ATOM   1333 H HA   . GLU   A 1 81  ? -11.834 11.761  17.317  1.000 6.495  0 193 GLU   A HA   1 c 
ATOM   1334 H HB2  . GLU   A 1 81  ? -10.057 10.675  19.291  1.000 7.009  0 193 GLU   A HB2  1 c 
ATOM   1335 H HB3  . GLU   A 1 81  ? -10.610 12.157  19.337  1.000 7.062  0 193 GLU   A HB3  1 c 
ATOM   1336 H HG2  . GLU   A 1 81  ? -12.299 9.868   19.548  1.000 8.156  0 193 GLU   A HG2  1 c 
ATOM   1337 H HG3  . GLU   A 1 81  ? -11.776 10.660  20.813  1.000 8.101  0 193 GLU   A HG3  1 c 
ATOM   1338 N N    A SER   A 1 82  ? -9.939  12.982  16.363  0.500 7.288  0 194 SER   A N    1 ? 
ATOM   1339 N N    B SER   A 1 82  ? -9.920  12.991  16.385  0.500 7.261  0 194 SER   A N    1 ? 
ATOM   1340 C CA   A SER   A 1 82  ? -8.832  13.660  15.708  0.500 8.074  0 194 SER   A CA   1 ? 
ATOM   1341 C CA   B SER   A 1 82  ? -8.802  13.592  15.679  0.500 8.022  0 194 SER   A CA   1 ? 
ATOM   1342 C C    A SER   A 1 82  ? -7.588  13.648  16.588  0.500 7.317  0 194 SER   A C    1 ? 
ATOM   1343 C C    B SER   A 1 82  ? -7.577  13.645  16.583  0.500 7.337  0 194 SER   A C    1 ? 
ATOM   1344 O O    A SER   A 1 82  ? -7.690  13.893  17.787  0.500 8.811  0 194 SER   A O    1 ? 
ATOM   1345 O O    B SER   A 1 82  ? -7.666  13.907  17.782  0.500 8.930  0 194 SER   A O    1 ? 
ATOM   1346 C CB   A SER   A 1 82  ? -9.227  15.045  15.326  0.500 9.754  0 194 SER   A CB   1 ? 
ATOM   1347 C CB   B SER   A 1 82  ? -9.142  14.920  15.129  0.500 9.612  0 194 SER   A CB   1 ? 
ATOM   1348 O OG   A SER   A 1 82  ? -10.220 14.968  14.315  0.500 13.064 0 194 SER   A OG   1 ? 
ATOM   1349 O OG   B SER   A 1 82  ? -9.402  15.806  16.202  0.500 12.604 0 194 SER   A OG   1 ? 
ATOM   1350 H H    A SER   A 1 82  ? -10.735 13.424  16.447  0.500 7.210  0 194 SER   A H    1 c 
ATOM   1351 H H    B SER   A 1 82  ? -10.684 13.476  16.513  0.500 7.186  0 194 SER   A H    1 c 
ATOM   1352 H HA   A SER   A 1 82  ? -8.624  13.162  14.878  0.500 7.909  0 194 SER   A HA   1 c 
ATOM   1353 H HA   B SER   A 1 82  ? -8.587  13.001  14.916  0.500 7.848  0 194 SER   A HA   1 c 
ATOM   1354 H HB2  A SER   A 1 82  ? -9.581  15.514  16.105  0.500 9.683  0 194 SER   A HB2  1 c 
ATOM   1355 H HB2  B SER   A 1 82  ? -8.398  15.254  14.596  0.500 9.539  0 194 SER   A HB2  1 c 
ATOM   1356 H HB3  A SER   A 1 82  ? -8.449  15.526  14.992  0.500 9.671  0 194 SER   A HB3  1 c 
ATOM   1357 H HB3  B SER   A 1 82  ? -9.931  14.849  14.559  0.500 9.526  0 194 SER   A HB3  1 c 
ATOM   1358 H HG   A SER   A 1 82  ? -10.432 15.742  14.080  0.000 13.294 0 194 SER   A HG   1 c 
ATOM   1359 H HG   B SER   A 1 82  ? -9.596  16.571  15.899  0.000 12.938 0 194 SER   A HG   1 c 
ATOM   1360 N N    . GLY   A 1 83  ? -6.436  13.355  15.986  1.000 6.292  0 195 GLY   A N    1 ? 
ATOM   1361 C CA   . GLY   A 1 83  ? -5.157  13.397  16.665  1.000 6.534  0 195 GLY   A CA   1 ? 
ATOM   1362 C C    . GLY   A 1 83  ? -4.807  12.138  17.438  1.000 5.866  0 195 GLY   A C    1 ? 
ATOM   1363 O O    . GLY   A 1 83  ? -3.718  12.073  17.986  1.000 7.879  0 195 GLY   A O    1 ? 
ATOM   1364 H H    . GLY   A 1 83  ? -6.445  13.119  15.103  1.000 6.573  0 195 GLY   A H    1 c 
ATOM   1365 H HA2  . GLY   A 1 83  ? -4.454  13.563  15.994  1.000 6.310  0 195 GLY   A HA2  1 c 
ATOM   1366 H HA3  . GLY   A 1 83  ? -5.154  14.163  17.286  1.000 6.282  0 195 GLY   A HA3  1 c 
ATOM   1367 N N    . LYS   A 1 84  ? -5.686  11.117  17.520  1.000 5.251  0 196 LYS   A N    1 ? 
ATOM   1368 C CA   . LYS   A 1 84  ? -5.434  9.980   18.405  1.000 4.893  0 196 LYS   A CA   1 ? 
ATOM   1369 C C    . LYS   A 1 84  ? -5.061  8.717   17.636  1.000 4.993  0 196 LYS   A C    1 ? 
ATOM   1370 O O    . LYS   A 1 84  ? -5.519  8.462   16.508  1.000 5.264  0 196 LYS   A O    1 ? 
ATOM   1371 C CB   . LYS   A 1 84  ? -6.652  9.657   19.279  1.000 4.914  0 196 LYS   A CB   1 ? 
ATOM   1372 C CG   . LYS   A 1 84  ? -7.066  10.768  20.205  1.000 4.916  0 196 LYS   A CG   1 ? 
ATOM   1373 C CD   . LYS   A 1 84  ? -7.972  10.287  21.344  1.000 5.181  0 196 LYS   A CD   1 ? 
ATOM   1374 C CE   . LYS   A 1 84  ? -8.630  11.368  22.069  1.000 5.493  0 196 LYS   A CE   1 ? 
ATOM   1375 N NZ   . LYS   A 1 84  ? -9.352  10.889  23.264  1.000 5.560  0 196 LYS   A NZ   1 ? 
ATOM   1376 H H    . LYS   A 1 84  ? -6.444  11.121  17.010  1.000 5.239  0 196 LYS   A H    1 c 
ATOM   1377 H HA   . LYS   A 1 84  ? -4.686  10.219  19.006  1.000 4.978  0 196 LYS   A HA   1 c 
ATOM   1378 H HB2  . LYS   A 1 84  ? -7.410  9.440   18.696  1.000 4.897  0 196 LYS   A HB2  1 c 
ATOM   1379 H HB3  . LYS   A 1 84  ? -6.453  8.861   19.818  1.000 4.922  0 196 LYS   A HB3  1 c 
ATOM   1380 H HG2  . LYS   A 1 84  ? -6.259  11.178  20.586  1.000 4.946  0 196 LYS   A HG2  1 c 
ATOM   1381 H HG3  . LYS   A 1 84  ? -7.539  11.453  19.684  1.000 4.944  0 196 LYS   A HG3  1 c 
ATOM   1382 H HD2  . LYS   A 1 84  ? -8.658  9.691   20.972  1.000 5.198  0 196 LYS   A HD2  1 c 
ATOM   1383 H HD3  . LYS   A 1 84  ? -7.433  9.763   21.976  1.000 5.156  0 196 LYS   A HD3  1 c 
ATOM   1384 H HE2  . LYS   A 1 84  ? -7.965  12.024  22.345  1.000 5.442  0 196 LYS   A HE2  1 c 
ATOM   1385 H HE3  . LYS   A 1 84  ? -9.263  11.814  21.477  1.000 5.451  0 196 LYS   A HE3  1 c 
ATOM   1386 H HZ1  . LYS   A 1 84  ? -8.779  10.458  23.817  1.000 5.534  0 196 LYS   A HZ1  1 c 
ATOM   1387 H HZ2  . LYS   A 1 84  ? -10.010 10.318  23.015  1.000 5.546  0 196 LYS   A HZ2  1 c 
ATOM   1388 H HZ3  . LYS   A 1 84  ? -9.718  11.592  23.703  1.000 5.529  0 196 LYS   A HZ3  1 c 
ATOM   1389 N N    . PRO   A 1 85  ? -4.243  7.861   18.281  1.000 5.175  0 197 PRO   A N    1 ? 
ATOM   1390 C CA   . PRO   A 1 85  ? -3.940  6.538   17.730  1.000 5.406  0 197 PRO   A CA   1 ? 
ATOM   1391 C C    . PRO   A 1 85  ? -5.151  5.631   17.722  1.000 5.204  0 197 PRO   A C    1 ? 
ATOM   1392 O O    . PRO   A 1 85  ? -5.938  5.615   18.663  1.000 6.031  0 197 PRO   A O    1 ? 
ATOM   1393 C CB   . PRO   A 1 85  ? -2.864  6.001   18.689  1.000 6.645  0 197 PRO   A CB   1 ? 
ATOM   1394 C CG   . PRO   A 1 85  ? -2.756  6.914   19.788  1.000 7.514  0 197 PRO   A CG   1 ? 
ATOM   1395 C CD   . PRO   A 1 85  ? -3.592  8.084   19.573  1.000 5.855  0 197 PRO   A CD   1 ? 
ATOM   1396 H HA   . PRO   A 1 85  ? -3.568  6.632   16.821  1.000 5.405  0 197 PRO   A HA   1 c 
ATOM   1397 H HB2  . PRO   A 1 85  ? -3.109  5.103   19.014  1.000 6.381  0 197 PRO   A HB2  1 c 
ATOM   1398 H HB3  . PRO   A 1 85  ? -1.999  5.924   18.224  1.000 6.375  0 197 PRO   A HB3  1 c 
ATOM   1399 H HG2  . PRO   A 1 85  ? -3.028  6.466   20.616  1.000 6.908  0 197 PRO   A HG2  1 c 
ATOM   1400 H HG3  . PRO   A 1 85  ? -1.823  7.193   19.894  1.000 6.924  0 197 PRO   A HG3  1 c 
ATOM   1401 H HD2  . PRO   A 1 85  ? -4.257  8.173   20.291  1.000 5.787  0 197 PRO   A HD2  1 c 
ATOM   1402 H HD3  . PRO   A 1 85  ? -3.043  8.899   19.551  1.000 5.749  0 197 PRO   A HD3  1 c 
ATOM   1403 N N    . PHE   A 1 86  ? -5.308  4.901   16.623  1.000 5.070  0 198 PHE   A N    1 ? 
ATOM   1404 C CA   . PHE   A 1 86  ? -6.455  4.016   16.440  1.000 5.114  0 198 PHE   A CA   1 ? 
ATOM   1405 C C    . PHE   A 1 86  ? -6.005  2.643   15.954  1.000 4.708  0 198 PHE   A C    1 ? 
ATOM   1406 O O    . PHE   A 1 86  ? -4.946  2.484   15.372  1.000 4.968  0 198 PHE   A O    1 ? 
ATOM   1407 C CB   . PHE   A 1 86  ? -7.450  4.636   15.435  1.000 5.870  0 198 PHE   A CB   1 ? 
ATOM   1408 C CG   . PHE   A 1 86  ? -6.942  4.636   14.012  1.000 5.831  0 198 PHE   A CG   1 ? 
ATOM   1409 C CD1  . PHE   A 1 86  ? -7.131  3.532   13.210  1.000 6.034  0 198 PHE   A CD1  1 ? 
ATOM   1410 C CD2  . PHE   A 1 86  ? -6.248  5.721   13.469  1.000 7.147  0 198 PHE   A CD2  1 ? 
ATOM   1411 C CE1  . PHE   A 1 86  ? -6.641  3.501   11.924  1.000 7.082  0 198 PHE   A CE1  1 ? 
ATOM   1412 C CE2  . PHE   A 1 86  ? -5.764  5.668   12.175  1.000 8.206  0 198 PHE   A CE2  1 ? 
ATOM   1413 C CZ   . PHE   A 1 86  ? -5.982  4.574   11.410  1.000 7.979  0 198 PHE   A CZ   1 ? 
ATOM   1414 H H    . PHE   A 1 86  ? -4.681  4.948   15.960  1.000 5.085  0 198 PHE   A H    1 c 
ATOM   1415 H HA   . PHE   A 1 86  ? -6.914  3.909   17.313  1.000 5.136  0 198 PHE   A HA   1 c 
ATOM   1416 H HB2  . PHE   A 1 86  ? -8.292  4.130   15.474  1.000 5.683  0 198 PHE   A HB2  1 c 
ATOM   1417 H HB3  . PHE   A 1 86  ? -7.637  5.561   15.708  1.000 5.651  0 198 PHE   A HB3  1 c 
ATOM   1418 H HD1  . PHE   A 1 86  ? -7.586  2.781   13.554  1.000 6.075  0 198 PHE   A HD1  1 c 
ATOM   1419 H HD2  . PHE   A 1 86  ? -6.094  6.488   13.997  1.000 6.808  0 198 PHE   A HD2  1 c 
ATOM   1420 H HE1  . PHE   A 1 86  ? -6.790  2.740   11.385  1.000 6.901  0 198 PHE   A HE1  1 c 
ATOM   1421 H HE2  . PHE   A 1 86  ? -5.308  6.411   11.814  1.000 7.769  0 198 PHE   A HE2  1 c 
ATOM   1422 H HZ   . PHE   A 1 86  ? -5.657  4.547   10.524  1.000 7.672  0 198 PHE   A HZ   1 c 
ATOM   1423 N N    . LYS   A 1 87  ? -6.923  1.698   16.156  1.000 4.848  0 199 LYS   A N    1 ? 
ATOM   1424 C CA   . LYS   A 1 87  ? -6.849  0.377   15.581  1.000 4.969  0 199 LYS   A CA   1 ? 
ATOM   1425 C C    . LYS   A 1 87  ? -8.207  0.039   14.997  1.000 4.783  0 199 LYS   A C    1 ? 
ATOM   1426 O O    . LYS   A 1 87  ? -9.215  0.116   15.700  1.000 6.228  0 199 LYS   A O    1 ? 
ATOM   1427 C CB   . LYS   A 1 87  ? -6.521  -0.644  16.676  1.000 5.699  0 199 LYS   A CB   1 ? 
ATOM   1428 C CG   . LYS   A 1 87  ? -6.444  -2.086  16.192  1.000 6.589  0 199 LYS   A CG   1 ? 
ATOM   1429 C CD   . LYS   A 1 87  ? -5.956  -3.066  17.259  1.000 7.933  0 199 LYS   A CD   1 ? 
ATOM   1430 C CE   . LYS   A 1 87  ? -6.859  -3.205  18.432  1.000 9.597  0 199 LYS   A CE   1 ? 
ATOM   1431 N NZ   . LYS   A 1 87  ? -6.257  -4.115  19.392  1.000 13.656 0 199 LYS   A NZ   1 ? 
ATOM   1432 H H    . LYS   A 1 87  ? -7.638  1.894   16.690  1.000 4.833  0 199 LYS   A H    1 c 
ATOM   1433 H HA   . LYS   A 1 87  ? -6.160  0.365   14.873  1.000 4.975  0 199 LYS   A HA   1 c 
ATOM   1434 H HB2  . LYS   A 1 87  ? -5.659  -0.406  17.078  1.000 5.609  0 199 LYS   A HB2  1 c 
ATOM   1435 H HB3  . LYS   A 1 87  ? -7.205  -0.585  17.377  1.000 5.633  0 199 LYS   A HB3  1 c 
ATOM   1436 H HG2  . LYS   A 1 87  ? -7.336  -2.364  15.890  1.000 6.560  0 199 LYS   A HG2  1 c 
ATOM   1437 H HG3  . LYS   A 1 87  ? -5.839  -2.125  15.420  1.000 6.567  0 199 LYS   A HG3  1 c 
ATOM   1438 H HD2  . LYS   A 1 87  ? -5.841  -3.949  16.843  1.000 7.756  0 199 LYS   A HD2  1 c 
ATOM   1439 H HD3  . LYS   A 1 87  ? -5.073  -2.772  17.572  1.000 7.818  0 199 LYS   A HD3  1 c 
ATOM   1440 H HE2  . LYS   A 1 87  ? -7.007  -2.341  18.855  1.000 9.362  0 199 LYS   A HE2  1 c 
ATOM   1441 H HE3  . LYS   A 1 87  ? -7.720  -3.561  18.147  1.000 9.403  0 199 LYS   A HE3  1 c 
ATOM   1442 H HZ1  . LYS   A 1 87  ? -5.455  -3.792  19.663  1.000 12.107 0 199 LYS   A HZ1  1 c 
ATOM   1443 H HZ2  . LYS   A 1 87  ? -6.137  -4.928  19.011  1.000 12.337 0 199 LYS   A HZ2  1 c 
ATOM   1444 H HZ3  . LYS   A 1 87  ? -6.795  -4.204  20.113  1.000 12.005 0 199 LYS   A HZ3  1 c 
ATOM   1445 N N    . ILE   A 1 88  ? -8.220  -0.291  13.704  1.000 4.444  0 200 ILE   A N    1 ? 
ATOM   1446 C CA   . ILE   A 1 88  ? -9.421  -0.824  13.087  1.000 4.544  0 200 ILE   A CA   1 ? 
ATOM   1447 C C    . ILE   A 1 88  ? -9.167  -2.294  12.826  1.000 4.717  0 200 ILE   A C    1 ? 
ATOM   1448 O O    . ILE   A 1 88  ? -8.170  -2.658  12.224  1.000 5.603  0 200 ILE   A O    1 ? 
ATOM   1449 C CB   . ILE   A 1 88  ? -9.770  -0.115  11.766  1.000 5.025  0 200 ILE   A CB   1 ? 
ATOM   1450 C CG1  . ILE   A 1 88  ? -9.953  1.373   11.924  1.000 5.389  0 200 ILE   A CG1  1 ? 
ATOM   1451 C CG2  . ILE   A 1 88  ? -11.040 -0.743  11.171  1.000 6.042  0 200 ILE   A CG2  1 ? 
ATOM   1452 C CD1  . ILE   A 1 88  ? -9.960  2.156   10.612  1.000 6.355  0 200 ILE   A CD1  1 ? 
ATOM   1453 H H    . ILE   A 1 88  ? -7.469  -0.180  13.195  1.000 4.525  0 200 ILE   A H    1 c 
ATOM   1454 H HA   . ILE   A 1 88  ? -10.170 -0.730  13.706  1.000 4.577  0 200 ILE   A HA   1 c 
ATOM   1455 H HB   . ILE   A 1 88  ? -9.034  -0.263  11.139  1.000 5.075  0 200 ILE   A HB   1 c 
ATOM   1456 H HG12 . ILE   A 1 88  ? -10.798 1.536   12.390  1.000 5.450  0 200 ILE   A HG12 1 c 
ATOM   1457 H HG13 . ILE   A 1 88  ? -9.232  1.719   12.489  1.000 5.445  0 200 ILE   A HG13 1 c 
ATOM   1458 H HG21 . ILE   A 1 88  ? -11.287 -0.274  10.357  1.000 5.759  0 200 ILE   A HG21 1 c 
ATOM   1459 H HG22 . ILE   A 1 88  ? -11.767 -0.677  11.813  1.000 5.810  0 200 ILE   A HG22 1 c 
ATOM   1460 H HG23 . ILE   A 1 88  ? -10.878 -1.679  10.964  1.000 5.842  0 200 ILE   A HG23 1 c 
ATOM   1461 H HD11 . ILE   A 1 88  ? -9.132  1.984   10.125  1.000 6.091  0 200 ILE   A HD11 1 c 
ATOM   1462 H HD12 . ILE   A 1 88  ? -10.031 3.110   10.804  1.000 6.188  0 200 ILE   A HD12 1 c 
ATOM   1463 H HD13 . ILE   A 1 88  ? -10.720 1.880   10.064  1.000 6.106  0 200 ILE   A HD13 1 c 
ATOM   1464 N N    . GLN   A 1 89  ? -10.068 -3.146  13.290  1.000 4.818  0 201 GLN   A N    1 ? 
ATOM   1465 C CA   . GLN   A 1 89  ? -10.027 -4.569  12.994  1.000 5.270  0 201 GLN   A CA   1 ? 
ATOM   1466 C C    . GLN   A 1 89  ? -11.263 -4.949  12.218  1.000 4.865  0 201 GLN   A C    1 ? 
ATOM   1467 O O    . GLN   A 1 89  ? -12.373 -4.656  12.611  1.000 6.638  0 201 GLN   A O    1 ? 
ATOM   1468 C CB   . GLN   A 1 89  ? -9.906  -5.388  14.250  1.000 6.533  0 201 GLN   A CB   1 ? 
ATOM   1469 C CG   . GLN   A 1 89  ? -8.518  -5.179  14.817  1.000 8.908  0 201 GLN   A CG   1 ? 
ATOM   1470 C CD   . GLN   A 1 89  ? -8.356  -5.839  16.119  1.000 11.677 0 201 GLN   A CD   1 ? 
ATOM   1471 O OE1  . GLN   A 1 89  ? -9.163  -5.625  17.033  1.000 13.871 0 201 GLN   A OE1  1 ? 
ATOM   1472 N NE2  . GLN   A 1 89  ? -7.309  -6.638  16.170  1.000 14.827 0 201 GLN   A NE2  1 ? 
ATOM   1473 H H    . GLN   A 1 89  ? -10.744 -2.832  13.819  1.000 4.832  0 201 GLN   A H    1 c 
ATOM   1474 H HA   . GLN   A 1 89  ? -9.234  -4.746  12.433  1.000 5.246  0 201 GLN   A HA   1 c 
ATOM   1475 H HB2  . GLN   A 1 89  ? -10.580 -5.103  14.901  1.000 6.379  0 201 GLN   A HB2  1 c 
ATOM   1476 H HB3  . GLN   A 1 89  ? -10.046 -6.335  14.048  1.000 6.323  0 201 GLN   A HB3  1 c 
ATOM   1477 H HG2  . GLN   A 1 89  ? -7.854  -5.529  14.186  1.000 8.523  0 201 GLN   A HG2  1 c 
ATOM   1478 H HG3  . GLN   A 1 89  ? -8.351  -4.219  14.925  1.000 8.702  0 201 GLN   A HG3  1 c 
ATOM   1479 H HE21 . GLN   A 1 89  ? -6.822  -6.800  15.446  1.000 13.738 0 201 GLN   A HE21 1 c 
ATOM   1480 H HE22 . GLN   A 1 89  ? -7.089  -7.019  16.940  1.000 13.764 0 201 GLN   A HE22 1 c 
ATOM   1481 N N    . VAL   A 1 90  ? -11.023 -5.613  11.087  1.000 4.346  0 202 VAL   A N    1 ? 
ATOM   1482 C CA   . VAL   A 1 90  ? -12.086 -6.093  10.232  1.000 4.499  0 202 VAL   A CA   1 ? 
ATOM   1483 C C    . VAL   A 1 90  ? -11.992 -7.610  10.223  1.000 4.461  0 202 VAL   A C    1 ? 
ATOM   1484 O O    . VAL   A 1 90  ? -10.997 -8.155  9.765   1.000 5.279  0 202 VAL   A O    1 ? 
ATOM   1485 C CB   . VAL   A 1 90  ? -12.012 -5.528  8.817   1.000 4.669  0 202 VAL   A CB   1 ? 
ATOM   1486 C CG1  . VAL   A 1 90  ? -13.173 -6.062  8.004   1.000 5.443  0 202 VAL   A CG1  1 ? 
ATOM   1487 C CG2  . VAL   A 1 90  ? -11.958 -4.029  8.814   1.000 4.890  0 202 VAL   A CG2  1 ? 
ATOM   1488 H H    . VAL   A 1 90  ? -10.158 -5.774  10.839  1.000 4.461  0 202 VAL   A H    1 c 
ATOM   1489 H HA   . VAL   A 1 90  ? -12.941 -5.834  10.622  1.000 4.507  0 202 VAL   A HA   1 c 
ATOM   1490 H HB   . VAL   A 1 90  ? -11.177 -5.863  8.412   1.000 4.675  0 202 VAL   A HB   1 c 
ATOM   1491 H HG11 . VAL   A 1 90  ? -14.007 -5.878  8.468   1.000 5.248  0 202 VAL   A HG11 1 c 
ATOM   1492 H HG12 . VAL   A 1 90  ? -13.075 -7.022  7.884   1.000 5.340  0 202 VAL   A HG12 1 c 
ATOM   1493 H HG13 . VAL   A 1 90  ? -13.185 -5.629  7.134   1.000 5.199  0 202 VAL   A HG13 1 c 
ATOM   1494 H HG21 . VAL   A 1 90  ? -11.951 -3.706  7.898   1.000 4.822  0 202 VAL   A HG21 1 c 
ATOM   1495 H HG22 . VAL   A 1 90  ? -11.152 -3.730  9.267   1.000 4.835  0 202 VAL   A HG22 1 c 
ATOM   1496 H HG23 . VAL   A 1 90  ? -12.737 -3.675  9.276   1.000 4.848  0 202 VAL   A HG23 1 c 
ATOM   1497 N N    . LEU   A 1 91  ? -12.997 -8.266  10.797  1.000 4.669  0 203 LEU   A N    1 ? 
ATOM   1498 C CA   . LEU   A 1 91  ? -13.052 -9.719  10.865  1.000 5.039  0 203 LEU   A CA   1 ? 
ATOM   1499 C C    . LEU   A 1 91  ? -14.032 -10.189 9.809   1.000 4.937  0 203 LEU   A C    1 ? 
ATOM   1500 O O    . LEU   A 1 91  ? -15.189 -9.814  9.799   1.000 5.696  0 203 LEU   A O    1 ? 
ATOM   1501 C CB   . LEU   A 1 91  ? -13.486 -10.133 12.266  1.000 6.079  0 203 LEU   A CB   1 ? 
ATOM   1502 C CG   . LEU   A 1 91  ? -13.581 -11.617 12.538  1.000 8.141  0 203 LEU   A CG   1 ? 
ATOM   1503 C CD1  . LEU   A 1 91  ? -12.351 -12.356 12.220  1.000 9.030  0 203 LEU   A CD1  1 ? 
ATOM   1504 C CD2  . LEU   A 1 91  ? -14.018 -11.873 13.948  1.000 11.007 0 203 LEU   A CD2  1 ? 
ATOM   1505 H H    . LEU   A 1 91  ? -13.684 -7.788  11.165  1.000 4.640  0 203 LEU   A H    1 c 
ATOM   1506 H HA   . LEU   A 1 91  ? -12.153 -10.085 10.672  1.000 5.041  0 203 LEU   A HA   1 c 
ATOM   1507 H HB2  . LEU   A 1 91  ? -12.852 -9.741  12.910  1.000 5.832  0 203 LEU   A HB2  1 c 
ATOM   1508 H HB3  . LEU   A 1 91  ? -14.367 -9.730  12.444  1.000 5.809  0 203 LEU   A HB3  1 c 
ATOM   1509 H HG   . LEU   A 1 91  ? -14.292 -11.980 11.950  1.000 7.927  0 203 LEU   A HG   1 c 
ATOM   1510 H HD11 . LEU   A 1 91  ? -12.181 -12.310 11.265  1.000 8.646  0 203 LEU   A HD11 1 c 
ATOM   1511 H HD12 . LEU   A 1 91  ? -12.453 -13.286 12.484  1.000 8.892  0 203 LEU   A HD12 1 c 
ATOM   1512 H HD13 . LEU   A 1 91  ? -11.603 -11.964 12.701  1.000 8.788  0 203 LEU   A HD13 1 c 
ATOM   1513 H HD21 . LEU   A 1 91  ? -14.910 -11.511 14.083  1.000 10.093 0 203 LEU   A HD21 1 c 
ATOM   1514 H HD22 . LEU   A 1 91  ? -13.399 -11.445 14.563  1.000 10.130 0 203 LEU   A HD22 1 c 
ATOM   1515 H HD23 . LEU   A 1 91  ? -14.029 -12.829 14.115  1.000 10.220 0 203 LEU   A HD23 1 c 
ATOM   1516 N N    . VAL   A 1 92  ? -13.561 -11.064 8.917   1.000 4.809  0 204 VAL   A N    1 ? 
ATOM   1517 C CA   . VAL   A 1 92  ? -14.424 -11.602 7.873   1.000 5.135  0 204 VAL   A CA   1 ? 
ATOM   1518 C C    . VAL   A 1 92  ? -15.182 -12.773 8.493   1.000 5.071  0 204 VAL   A C    1 ? 
ATOM   1519 O O    . VAL   A 1 92  ? -14.572 -13.699 9.033   1.000 6.441  0 204 VAL   A O    1 ? 
ATOM   1520 C CB   . VAL   A 1 92  ? -13.589 -12.060 6.657   1.000 5.673  0 204 VAL   A CB   1 ? 
ATOM   1521 C CG1  . VAL   A 1 92  ? -14.503 -12.607 5.581   1.000 6.092  0 204 VAL   A CG1  1 ? 
ATOM   1522 C CG2  . VAL   A 1 92  ? -12.712 -10.942 6.147   1.000 6.305  0 204 VAL   A CG2  1 ? 
ATOM   1523 H H    . VAL   A 1 92  ? -12.691 -11.339 8.961   1.000 4.889  0 204 VAL   A H    1 c 
ATOM   1524 H HA   . VAL   A 1 92  ? -15.057 -10.914 7.589   1.000 5.101  0 204 VAL   A HA   1 c 
ATOM   1525 H HB   . VAL   A 1 92  ? -13.004 -12.791 6.964   1.000 5.637  0 204 VAL   A HB   1 c 
ATOM   1526 H HG11 . VAL   A 1 92  ? -15.172 -11.940 5.354   1.000 6.017  0 204 VAL   A HG11 1 c 
ATOM   1527 H HG12 . VAL   A 1 92  ? -14.943 -13.411 5.902   1.000 6.020  0 204 VAL   A HG12 1 c 
ATOM   1528 H HG13 . VAL   A 1 92  ? -13.980 -12.821 4.790   1.000 5.985  0 204 VAL   A HG13 1 c 
ATOM   1529 H HG21 . VAL   A 1 92  ? -12.237 -11.239 5.354   1.000 6.101  0 204 VAL   A HG21 1 c 
ATOM   1530 H HG22 . VAL   A 1 92  ? -12.070 -10.690 6.831   1.000 6.126  0 204 VAL   A HG22 1 c 
ATOM   1531 H HG23 . VAL   A 1 92  ? -13.264 -10.173 5.923   1.000 6.207  0 204 VAL   A HG23 1 c 
ATOM   1532 N N    . GLU   A 1 93  ? -16.506 -12.724 8.414   1.000 5.092  0 205 GLU   A N    1 ? 
ATOM   1533 C CA   . GLU   A 1 93  ? -17.357 -13.792 8.891   1.000 5.507  0 205 GLU   A CA   1 ? 
ATOM   1534 C C    . GLU   A 1 93  ? -18.115 -14.330 7.688   1.000 5.109  0 205 GLU   A C    1 ? 
ATOM   1535 O O    . GLU   A 1 93  ? -18.066 -13.775 6.591   1.000 5.213  0 205 GLU   A O    1 ? 
ATOM   1536 C CB   . GLU   A 1 93  ? -18.313 -13.271 9.972   1.000 6.182  0 205 GLU   A CB   1 ? 
ATOM   1537 C CG   . GLU   A 1 93  ? -17.582 -12.763 11.219  1.000 8.017  0 205 GLU   A CG   1 ? 
ATOM   1538 C CD   . GLU   A 1 93  ? -17.029 -13.884 12.066  1.000 10.792 0 205 GLU   A CD   1 ? 
ATOM   1539 O OE1  . GLU   A 1 93  ? -17.035 -13.712 13.290  1.000 15.168 0 205 GLU   A OE1  1 ? 
ATOM   1540 O OE2  . GLU   A 1 93  ? -16.736 -14.974 11.593  1.000 13.948 0 205 GLU   A OE2  1 ? 
ATOM   1541 H H    . GLU   A 1 93  ? -16.900 -11.987 8.045   1.000 5.141  0 205 GLU   A H    1 c 
ATOM   1542 H HA   . GLU   A 1 93  ? -16.789 -14.512 9.260   1.000 5.373  0 205 GLU   A HA   1 c 
ATOM   1543 H HB2  . GLU   A 1 93  ? -18.850 -12.543 9.596   1.000 6.179  0 205 GLU   A HB2  1 c 
ATOM   1544 H HB3  . GLU   A 1 93  ? -18.924 -13.988 10.233  1.000 6.195  0 205 GLU   A HB3  1 c 
ATOM   1545 H HG2  . GLU   A 1 93  ? -16.843 -12.179 10.948  1.000 7.788  0 205 GLU   A HG2  1 c 
ATOM   1546 H HG3  . GLU   A 1 93  ? -18.202 -12.233 11.764  1.000 7.797  0 205 GLU   A HG3  1 c 
ATOM   1547 N N    . PRO   A 1 94  ? -18.826 -15.470 7.861   1.000 5.825  0 206 PRO   A N    1 ? 
ATOM   1548 C CA   . PRO   A 1 94  ? -19.475 -16.086 6.707   1.000 6.090  0 206 PRO   A CA   1 ? 
ATOM   1549 C C    . PRO   A 1 94  ? -20.479 -15.187 5.980   1.000 5.755  0 206 PRO   A C    1 ? 
ATOM   1550 O O    . PRO   A 1 94  ? -20.586 -15.248 4.756   1.000 5.838  0 206 PRO   A O    1 ? 
ATOM   1551 C CB   . PRO   A 1 94  ? -20.128 -17.327 7.296   1.000 7.002  0 206 PRO   A CB   1 ? 
ATOM   1552 C CG   . PRO   A 1 94  ? -19.203 -17.695 8.435   1.000 7.173  0 206 PRO   A CG   1 ? 
ATOM   1553 C CD   . PRO   A 1 94  ? -18.854 -16.354 9.036   1.000 6.683  0 206 PRO   A CD   1 ? 
ATOM   1554 H HA   . PRO   A 1 94  ? -18.769 -16.365 6.071   1.000 6.089  0 206 PRO   A HA   1 c 
ATOM   1555 H HB2  . PRO   A 1 94  ? -21.035 -17.128 7.626   1.000 6.801  0 206 PRO   A HB2  1 c 
ATOM   1556 H HB3  . PRO   A 1 94  ? -20.175 -18.052 6.629   1.000 6.786  0 206 PRO   A HB3  1 c 
ATOM   1557 H HG2  . PRO   A 1 94  ? -19.656 -18.267 9.089   1.000 6.997  0 206 PRO   A HG2  1 c 
ATOM   1558 H HG3  . PRO   A 1 94  ? -18.401 -18.154 8.107   1.000 7.016  0 206 PRO   A HG3  1 c 
ATOM   1559 H HD2  . PRO   A 1 94  ? -19.538 -16.069 9.681   1.000 6.549  0 206 PRO   A HD2  1 c 
ATOM   1560 H HD3  . PRO   A 1 94  ? -17.979 -16.386 9.482   1.000 6.537  0 206 PRO   A HD3  1 c 
ATOM   1561 N N    . ASP   A 1 95  ? -21.229 -14.364 6.724   1.000 5.178  0 207 ASP   A N    1 ? 
ATOM   1562 C CA   . ASP   A 1 95  ? -22.280 -13.539 6.130   1.000 5.230  0 207 ASP   A CA   1 ? 
ATOM   1563 C C    . ASP   A 1 95  ? -21.993 -12.046 6.179   1.000 4.478  0 207 ASP   A C    1 ? 
ATOM   1564 O O    . ASP   A 1 95  ? -22.732 -11.276 5.564   1.000 4.725  0 207 ASP   A O    1 ? 
ATOM   1565 C CB   . ASP   A 1 95  ? -23.624 -13.768 6.809   1.000 5.842  0 207 ASP   A CB   1 ? 
ATOM   1566 C CG   . ASP   A 1 95  ? -24.420 -14.956 6.339   1.000 7.299  0 207 ASP   A CG   1 ? 
ATOM   1567 O OD1  . ASP   A 1 95  ? -24.133 -15.498 5.217   1.000 7.547  0 207 ASP   A OD1  1 ? 
ATOM   1568 O OD2  . ASP   A 1 95  ? -25.321 -15.394 7.107   1.000 9.971  0 207 ASP   A OD2  1 ? 
ATOM   1569 H H    . ASP   A 1 95  ? -21.092 -14.322 7.627   1.000 5.233  0 207 ASP   A H    1 c 
ATOM   1570 H HA   . ASP   A 1 95  ? -22.376 -13.794 5.190   1.000 5.171  0 207 ASP   A HA   1 c 
ATOM   1571 H HB2  . ASP   A 1 95  ? -23.467 -13.877 7.769   1.000 5.875  0 207 ASP   A HB2  1 c 
ATOM   1572 H HB3  . ASP   A 1 95  ? -24.188 -12.975 6.690   1.000 5.826  0 207 ASP   A HB3  1 c 
ATOM   1573 N N    . HIS   A 1 96  ? -20.922 -11.610 6.880   1.000 4.848  0 208 HIS   A N    1 ? 
ATOM   1574 C CA   . HIS   A 1 96  ? -20.679 -10.185 7.044   1.000 5.166  0 208 HIS   A CA   1 ? 
ATOM   1575 C C    . HIS   A 1 96  ? -19.202 -9.943  7.295   1.000 5.044  0 208 HIS   A C    1 ? 
ATOM   1576 O O    . HIS   A 1 96  ? -18.472 -10.819 7.746   1.000 5.311  0 208 HIS   A O    1 ? 
ATOM   1577 C CB   . HIS   A 1 96  ? -21.562 -9.552  8.112   1.000 6.437  0 208 HIS   A CB   1 ? 
ATOM   1578 C CG   . HIS   A 1 96  ? -21.538 -10.193 9.408   1.000 7.975  0 208 HIS   A CG   1 ? 
ATOM   1579 N ND1  . HIS   A 1 96  ? -22.509 -11.030 9.922   1.000 11.158 0 208 HIS   A ND1  1 ? 
ATOM   1580 C CD2  . HIS   A 1 96  ? -20.562 -10.154 10.333  1.000 9.920  0 208 HIS   A CD2  1 ? 
ATOM   1581 C CE1  . HIS   A 1 96  ? -22.101 -11.414 11.131  1.000 11.227 0 208 HIS   A CE1  1 ? 
ATOM   1582 N NE2  . HIS   A 1 96  ? -20.934 -10.879 11.417  1.000 11.888 0 208 HIS   A NE2  1 ? 
ATOM   1583 H H    . HIS   A 1 96  ? -20.342 -12.207 7.255   1.000 4.806  0 208 HIS   A H    1 c 
ATOM   1584 H HA   . HIS   A 1 96  ? -20.908 -9.757  6.183   1.000 5.191  0 208 HIS   A HA   1 c 
ATOM   1585 H HB2  . HIS   A 1 96  ? -21.292 -8.614  8.223   1.000 6.159  0 208 HIS   A HB2  1 c 
ATOM   1586 H HB3  . HIS   A 1 96  ? -22.487 -9.545  7.785   1.000 6.106  0 208 HIS   A HB3  1 c 
ATOM   1587 H HD1  . HIS   A 1 96  ? -23.258 -11.259 9.506   0.000 11.257 0 208 HIS   A HD1  1 c 
ATOM   1588 H HD2  . HIS   A 1 96  ? -19.772 -9.654  10.272  1.000 9.607  0 208 HIS   A HD2  1 c 
ATOM   1589 H HE1  . HIS   A 1 96  ? -22.594 -11.981 11.699  1.000 11.141 0 208 HIS   A HE1  1 c 
ATOM   1590 H HE2  . HIS   A 1 96  ? -20.496 -11.003 12.161  0.000 12.144 0 208 HIS   A HE2  1 c 
ATOM   1591 N N    . PHE   A 1 97  ? -18.832 -8.656  7.103   1.000 4.943  0 209 PHE   A N    1 ? 
ATOM   1592 C CA   . PHE   A 1 97  ? -17.621 -8.116  7.722   1.000 5.039  0 209 PHE   A CA   1 ? 
ATOM   1593 C C    . PHE   A 1 97  ? -18.033 -7.565  9.088   1.000 5.371  0 209 PHE   A C    1 ? 
ATOM   1594 O O    . PHE   A 1 97  ? -19.036 -6.855  9.193   1.000 5.820  0 209 PHE   A O    1 ? 
ATOM   1595 C CB   . PHE   A 1 97  ? -17.043 -6.956  6.916   1.000 5.424  0 209 PHE   A CB   1 ? 
ATOM   1596 C CG   . PHE   A 1 97  ? -16.552 -7.340  5.542   1.000 5.601  0 209 PHE   A CG   1 ? 
ATOM   1597 C CD1  . PHE   A 1 97  ? -15.288 -7.886  5.387   1.000 6.415  0 209 PHE   A CD1  1 ? 
ATOM   1598 C CD2  . PHE   A 1 97  ? -17.361 -7.178  4.444   1.000 6.857  0 209 PHE   A CD2  1 ? 
ATOM   1599 C CE1  . PHE   A 1 97  ? -14.838 -8.180  4.118   1.000 7.956  0 209 PHE   A CE1  1 ? 
ATOM   1600 C CE2  . PHE   A 1 97  ? -16.916 -7.534  3.191   1.000 7.286  0 209 PHE   A CE2  1 ? 
ATOM   1601 C CZ   . PHE   A 1 97  ? -15.670 -8.001  3.016   1.000 7.260  0 209 PHE   A CZ   1 ? 
ATOM   1602 H H    . PHE   A 1 97  ? -19.342 -8.110  6.576   1.000 4.953  0 209 PHE   A H    1 c 
ATOM   1603 H HA   . PHE   A 1 97  ? -16.941 -8.832  7.829   1.000 5.136  0 209 PHE   A HA   1 c 
ATOM   1604 H HB2  . PHE   A 1 97  ? -17.735 -6.264  6.824   1.000 5.354  0 209 PHE   A HB2  1 c 
ATOM   1605 H HB3  . PHE   A 1 97  ? -16.295 -6.567  7.422   1.000 5.377  0 209 PHE   A HB3  1 c 
ATOM   1606 H HD1  . PHE   A 1 97  ? -14.713 -7.975  6.131   1.000 6.243  0 209 PHE   A HD1  1 c 
ATOM   1607 H HD2  . PHE   A 1 97  ? -18.230 -6.827  4.552   1.000 6.603  0 209 PHE   A HD2  1 c 
ATOM   1608 H HE1  . PHE   A 1 97  ? -13.975 -8.544  4.000   1.000 7.260  0 209 PHE   A HE1  1 c 
ATOM   1609 H HE2  . PHE   A 1 97  ? -17.474 -7.399  2.443   1.000 7.050  0 209 PHE   A HE2  1 c 
ATOM   1610 H HZ   . PHE   A 1 97  ? -15.374 -8.249  2.155   1.000 7.174  0 209 PHE   A HZ   1 c 
ATOM   1611 N N    . LYS   A 1 98  ? -17.228 -7.813  10.102  1.000 5.507  0 210 LYS   A N    1 ? 
ATOM   1612 C CA   . LYS   A 1 98  ? -17.438 -7.222  11.427  1.000 5.421  0 210 LYS   A CA   1 ? 
ATOM   1613 C C    . LYS   A 1 98  ? -16.295 -6.288  11.712  1.000 5.141  0 210 LYS   A C    1 ? 
ATOM   1614 O O    . LYS   A 1 98  ? -15.142 -6.632  11.565  1.000 7.386  0 210 LYS   A O    1 ? 
ATOM   1615 C CB   . LYS   A 1 98  ? -17.441 -8.336  12.441  1.000 7.678  0 210 LYS   A CB   1 ? 
ATOM   1616 C CG   . LYS   A 1 98  ? -17.770 -7.950  13.835  1.000 10.939 0 210 LYS   A CG   1 ? 
ATOM   1617 C CD   . LYS   A 1 98  ? -18.119 -9.180  14.667  1.000 16.712 0 210 LYS   A CD   1 ? 
ATOM   1618 C CE   . LYS   A 1 98  ? -19.560 -9.601  14.456  1.000 23.284 0 210 LYS   A CE   1 ? 
ATOM   1619 N NZ   . LYS   A 1 98  ? -19.936 -10.995 14.709  1.000 29.401 0 210 LYS   A NZ   1 ? 
ATOM   1620 H H    . LYS   A 1 98  ? -16.514 -8.371  9.980   1.000 5.426  0 210 LYS   A H    1 c 
ATOM   1621 H HA   . LYS   A 1 98  ? -18.296 -6.728  11.439  1.000 5.473  0 210 LYS   A HA   1 c 
ATOM   1622 H HB2  . LYS   A 1 98  ? -18.086 -9.015  12.148  1.000 7.320  0 210 LYS   A HB2  1 c 
ATOM   1623 H HB3  . LYS   A 1 98  ? -16.555 -8.756  12.442  1.000 7.258  0 210 LYS   A HB3  1 c 
ATOM   1624 H HG2  . LYS   A 1 98  ? -16.998 -7.493  14.230  1.000 10.284 0 210 LYS   A HG2  1 c 
ATOM   1625 H HG3  . LYS   A 1 98  ? -18.531 -7.331  13.825  1.000 10.305 0 210 LYS   A HG3  1 c 
ATOM   1626 H HD2  . LYS   A 1 98  ? -17.526 -9.922  14.417  1.000 15.429 0 210 LYS   A HD2  1 c 
ATOM   1627 H HD3  . LYS   A 1 98  ? -17.977 -8.980  15.617  1.000 15.400 0 210 LYS   A HD3  1 c 
ATOM   1628 H HE2  . LYS   A 1 98  ? -20.106 -9.040  15.035  1.000 21.835 0 210 LYS   A HE2  1 c 
ATOM   1629 H HE3  . LYS   A 1 98  ? -19.813 -9.388  13.540  1.000 21.194 0 210 LYS   A HE3  1 c 
ATOM   1630 H HZ1  . LYS   A 1 98  ? -19.783 -11.200 15.578  1.000 27.596 0 210 LYS   A HZ1  1 c 
ATOM   1631 H HZ2  . LYS   A 1 98  ? -19.447 -11.546 14.182  1.000 27.684 0 210 LYS   A HZ2  1 c 
ATOM   1632 H HZ3  . LYS   A 1 98  ? -20.816 -11.112 14.527  1.000 27.664 0 210 LYS   A HZ3  1 c 
ATOM   1633 N N    . VAL   A 1 99  ? -16.605 -5.074  12.149  1.000 4.415  0 211 VAL   A N    1 ? 
ATOM   1634 C CA   . VAL   A 1 99  ? -15.616 -4.035  12.404  1.000 4.326  0 211 VAL   A CA   1 ? 
ATOM   1635 C C    . VAL   A 1 99  ? -15.622 -3.716  13.900  1.000 4.343  0 211 VAL   A C    1 ? 
ATOM   1636 O O    . VAL   A 1 99  ? -16.683 -3.449  14.463  1.000 4.725  0 211 VAL   A O    1 ? 
ATOM   1637 C CB   . VAL   A 1 99  ? -15.867 -2.764  11.600  1.000 4.641  0 211 VAL   A CB   1 ? 
ATOM   1638 C CG1  . VAL   A 1 99  ? -14.806 -1.720  11.888  1.000 5.104  0 211 VAL   A CG1  1 ? 
ATOM   1639 C CG2  . VAL   A 1 99  ? -15.917 -3.080  10.101  1.000 5.385  0 211 VAL   A CG2  1 ? 
ATOM   1640 H H    . VAL   A 1 99  ? -17.485 -4.877  12.300  1.000 4.535  0 211 VAL   A H    1 c 
ATOM   1641 H HA   . VAL   A 1 99  ? -14.739 -4.380  12.162  1.000 4.381  0 211 VAL   A HA   1 c 
ATOM   1642 H HB   . VAL   A 1 99  ? -16.743 -2.406  11.876  1.000 4.678  0 211 VAL   A HB   1 c 
ATOM   1643 H HG11 . VAL   A 1 99  ? -13.925 -2.101  11.734  1.000 4.997  0 211 VAL   A HG11 1 c 
ATOM   1644 H HG12 . VAL   A 1 99  ? -14.875 -1.429  12.813  1.000 4.995  0 211 VAL   A HG12 1 c 
ATOM   1645 H HG13 . VAL   A 1 99  ? -14.935 -0.957  11.300  1.000 4.940  0 211 VAL   A HG13 1 c 
ATOM   1646 H HG21 . VAL   A 1 99  ? -16.042 -2.257  9.600   1.000 5.231  0 211 VAL   A HG21 1 c 
ATOM   1647 H HG22 . VAL   A 1 99  ? -16.657 -3.684  9.920   1.000 5.204  0 211 VAL   A HG22 1 c 
ATOM   1648 H HG23 . VAL   A 1 99  ? -15.084 -3.501  9.830   1.000 5.190  0 211 VAL   A HG23 1 c 
ATOM   1649 N N    . ALA   A 1 100 ? -14.425 -3.689  14.483  1.000 4.377  0 212 ALA   A N    1 ? 
ATOM   1650 C CA   . ALA   A 1 100 ? -14.180 -3.215  15.850  1.000 4.676  0 212 ALA   A CA   1 ? 
ATOM   1651 C C    . ALA   A 1 100 ? -13.131 -2.125  15.768  1.000 4.426  0 212 ALA   A C    1 ? 
ATOM   1652 O O    . ALA   A 1 100 ? -12.164 -2.271  15.030  1.000 5.727  0 212 ALA   A O    1 ? 
ATOM   1653 C CB   . ALA   A 1 100 ? -13.729 -4.328  16.758  1.000 5.368  0 212 ALA   A CB   1 ? 
ATOM   1654 H H    . ALA   A 1 100 ? -13.707 -3.987  14.002  1.000 4.416  0 212 ALA   A H    1 c 
ATOM   1655 H HA   . ALA   A 1 100 ? -15.022 -2.819  16.204  1.000 4.633  0 212 ALA   A HA   1 c 
ATOM   1656 H HB1  . ALA   A 1 100 ? -14.412 -5.018  16.794  1.000 5.158  0 212 ALA   A HB1  1 c 
ATOM   1657 H HB2  . ALA   A 1 100 ? -12.902 -4.712  16.420  1.000 5.192  0 212 ALA   A HB2  1 c 
ATOM   1658 H HB3  . ALA   A 1 100 ? -13.578 -3.979  17.653  1.000 5.189  0 212 ALA   A HB3  1 c 
ATOM   1659 N N    . VAL   A 1 101 ? -13.305 -1.062  16.555  1.000 4.360  0 213 VAL   A N    1 ? 
ATOM   1660 C CA   . VAL   A 1 101 ? -12.338 0.037   16.622  1.000 4.724  0 213 VAL   A CA   1 ? 
ATOM   1661 C C    . VAL   A 1 101 ? -11.864 0.140   18.063  1.000 4.789  0 213 VAL   A C    1 ? 
ATOM   1662 O O    . VAL   A 1 101 ? -12.678 0.182   18.987  1.000 5.553  0 213 VAL   A O    1 ? 
ATOM   1663 C CB   . VAL   A 1 101 ? -12.943 1.359   16.115  1.000 4.949  0 213 VAL   A CB   1 ? 
ATOM   1664 C CG1  . VAL   A 1 101 ? -11.940 2.490   16.311  1.000 5.742  0 213 VAL   A CG1  1 ? 
ATOM   1665 C CG2  . VAL   A 1 101 ? -13.348 1.227   14.669  1.000 5.052  0 213 VAL   A CG2  1 ? 
ATOM   1666 H H    . VAL   A 1 101 ? -14.055 -1.014  17.075  1.000 4.400  0 213 VAL   A H    1 c 
ATOM   1667 H HA   . VAL   A 1 101 ? -11.577 -0.188  16.058  1.000 4.707  0 213 VAL   A HA   1 c 
ATOM   1668 H HB   . VAL   A 1 101 ? -13.746 1.547   16.655  1.000 4.973  0 213 VAL   A HB   1 c 
ATOM   1669 H HG11 . VAL   A 1 101 ? -11.092 2.247   15.901  1.000 5.541  0 213 VAL   A HG11 1 c 
ATOM   1670 H HG12 . VAL   A 1 101 ? -11.805 2.648   17.261  1.000 5.538  0 213 VAL   A HG12 1 c 
ATOM   1671 H HG13 . VAL   A 1 101 ? -12.279 3.300   15.895  1.000 5.542  0 213 VAL   A HG13 1 c 
ATOM   1672 H HG21 . VAL   A 1 101 ? -13.702 2.075   14.353  1.000 5.011  0 213 VAL   A HG21 1 c 
ATOM   1673 H HG22 . VAL   A 1 101 ? -14.031 0.540   14.583  1.000 5.024  0 213 VAL   A HG22 1 c 
ATOM   1674 H HG23 . VAL   A 1 101 ? -12.573 0.981   14.136  1.000 5.008  0 213 VAL   A HG23 1 c 
ATOM   1675 N N    . ASN   A 1 102 ? -10.547 0.141   18.245  1.000 4.929  0 214 ASN   A N    1 ? 
ATOM   1676 C CA   . ASN   A 1 102 ? -9.999  0.259   19.587  1.000 5.123  0 214 ASN   A CA   1 ? 
ATOM   1677 C C    . ASN   A 1 102 ? -10.654 -0.771  20.505  1.000 6.054  0 214 ASN   A C    1 ? 
ATOM   1678 O O    . ASN   A 1 102 ? -10.960 -0.500  21.674  1.000 7.268  0 214 ASN   A O    1 ? 
ATOM   1679 C CB   . ASN   A 1 102 ? -10.106 1.659   20.121  1.000 5.288  0 214 ASN   A CB   1 ? 
ATOM   1680 C CG   . ASN   A 1 102 ? -9.449  2.665   19.230  1.000 5.192  0 214 ASN   A CG   1 ? 
ATOM   1681 O OD1  . ASN   A 1 102 ? -8.563  2.337   18.444  1.000 5.330  0 214 ASN   A OD1  1 ? 
ATOM   1682 N ND2  . ASN   A 1 102 ? -9.866  3.907   19.353  1.000 5.597  0 214 ASN   A ND2  1 ? 
ATOM   1683 H H    . ASN   A 1 102 ? -9.979  0.069   17.533  1.000 4.923  0 214 ASN   A H    1 c 
ATOM   1684 H HA   . ASN   A 1 102 ? -9.040  0.043   19.536  1.000 5.197  0 214 ASN   A HA   1 c 
ATOM   1685 H HB2  . ASN   A 1 102 ? -11.050 1.892   20.225  1.000 5.222  0 214 ASN   A HB2  1 c 
ATOM   1686 H HB3  . ASN   A 1 102 ? -9.688  1.697   21.005  1.000 5.214  0 214 ASN   A HB3  1 c 
ATOM   1687 H HD21 . ASN   A 1 102 ? -10.466 4.118   19.972  1.000 5.375  0 214 ASN   A HD21 1 c 
ATOM   1688 H HD22 . ASN   A 1 102 ? -9.545  4.535   18.816  1.000 5.400  0 214 ASN   A HD22 1 c 
ATOM   1689 N N    . ASP   A 1 103 ? -10.791 -2.003  20.006  1.000 6.563  0 215 ASP   A N    1 ? 
ATOM   1690 C CA   . ASP   A 1 103 ? -11.277 -3.134  20.783  1.000 7.484  0 215 ASP   A CA   1 ? 
ATOM   1691 C C    . ASP   A 1 103 ? -12.736 -3.042  21.211  1.000 7.573  0 215 ASP   A C    1 ? 
ATOM   1692 O O    . ASP   A 1 103 ? -13.181 -3.820  22.057  1.000 10.457 0 215 ASP   A O    1 ? 
ATOM   1693 C CB   . ASP   A 1 103 ? -10.381 -3.489  21.960  1.000 9.234  0 215 ASP   A CB   1 ? 
ATOM   1694 C CG   . ASP   A 1 103 ? -9.045  -4.012  21.491  1.000 10.514 0 215 ASP   A CG   1 ? 
ATOM   1695 O OD1  . ASP   A 1 103 ? -9.015  -4.904  20.663  1.000 12.233 0 215 ASP   A OD1  1 ? 
ATOM   1696 O OD2  . ASP   A 1 103 ? -8.007  -3.475  21.904  1.000 14.348 0 215 ASP   A OD2  1 ? 
ATOM   1697 H H    . ASP   A 1 103 ? -10.558 -2.151  19.135  1.000 6.518  0 215 ASP   A H    1 c 
ATOM   1698 H HA   . ASP   A 1 103 ? -11.217 -3.921  20.196  1.000 7.511  0 215 ASP   A HA   1 c 
ATOM   1699 H HB2  . ASP   A 1 103 ? -10.235 -2.706  22.529  1.000 8.994  0 215 ASP   A HB2  1 c 
ATOM   1700 H HB3  . ASP   A 1 103 ? -10.805 -4.187  22.503  1.000 8.980  0 215 ASP   A HB3  1 c 
ATOM   1701 N N    . ALA   A 1 104 ? -13.516 -2.204  20.558  1.000 7.319  0 216 ALA   A N    1 ? 
ATOM   1702 C CA   . ALA   A 1 104 ? -14.946 -2.122  20.789  1.000 7.859  0 216 ALA   A CA   1 ? 
ATOM   1703 C C    . ALA   A 1 104 ? -15.670 -2.396  19.473  1.000 6.877  0 216 ALA   A C    1 ? 
ATOM   1704 O O    . ALA   A 1 104 ? -15.433 -1.750  18.469  1.000 6.350  0 216 ALA   A O    1 ? 
ATOM   1705 C CB   . ALA   A 1 104 ? -15.340 -0.768  21.333  1.000 9.235  0 216 ALA   A CB   1 ? 
ATOM   1706 H H    . ALA   A 1 104 ? -13.150 -1.657  19.925  1.000 7.399  0 216 ALA   A H    1 c 
ATOM   1707 H HA   . ALA   A 1 104 ? -15.205 -2.826  21.445  1.000 7.727  0 216 ALA   A HA   1 c 
ATOM   1708 H HB1  . ALA   A 1 104 ? -14.874 -0.603  22.169  1.000 8.884  0 216 ALA   A HB1  1 c 
ATOM   1709 H HB2  . ALA   A 1 104 ? -15.104 -0.077  20.692  1.000 9.058  0 216 ALA   A HB2  1 c 
ATOM   1710 H HB3  . ALA   A 1 104 ? -16.299 -0.745  21.490  1.000 8.854  0 216 ALA   A HB3  1 c 
ATOM   1711 N N    . HIS   A 1 105 ? -16.623 -3.317  19.532  1.000 6.959  0 217 HIS   A N    1 ? 
ATOM   1712 C CA   . HIS   A 1 105 ? -17.448 -3.606  18.372  1.000 7.350  0 217 HIS   A CA   1 ? 
ATOM   1713 C C    . HIS   A 1 105 ? -18.126 -2.331  17.860  1.000 6.545  0 217 HIS   A C    1 ? 
ATOM   1714 O O    . HIS   A 1 105 ? -18.685 -1.590  18.634  1.000 7.979  0 217 HIS   A O    1 ? 
ATOM   1715 C CB   . HIS   A 1 105 ? -18.517 -4.633  18.717  1.000 8.305  0 217 HIS   A CB   1 ? 
ATOM   1716 C CG   . HIS   A 1 105 ? -19.427 -4.892  17.572  1.000 9.222  0 217 HIS   A CG   1 ? 
ATOM   1717 N ND1  . HIS   A 1 105 ? -19.002 -5.489  16.417  1.000 11.734 0 217 HIS   A ND1  1 ? 
ATOM   1718 C CD2  . HIS   A 1 105 ? -20.686 -4.475  17.345  1.000 10.859 0 217 HIS   A CD2  1 ? 
ATOM   1719 C CE1  . HIS   A 1 105 ? -20.017 -5.514  15.554  1.000 11.714 0 217 HIS   A CE1  1 ? 
ATOM   1720 N NE2  . HIS   A 1 105 ? -21.063 -4.919  16.104  1.000 11.708 0 217 HIS   A NE2  1 ? 
ATOM   1721 H H    . HIS   A 1 105 ? -16.767 -3.778  20.308  1.000 6.868  0 217 HIS   A H    1 c 
ATOM   1722 H HA   . HIS   A 1 105 ? -16.866 -3.964  17.657  1.000 7.263  0 217 HIS   A HA   1 c 
ATOM   1723 H HB2  . HIS   A 1 105 ? -18.082 -5.472  18.977  1.000 8.259  0 217 HIS   A HB2  1 c 
ATOM   1724 H HB3  . HIS   A 1 105 ? -19.041 -4.303  19.479  1.000 8.233  0 217 HIS   A HB3  1 c 
ATOM   1725 H HD1  . HIS   A 1 105 ? -18.177 -5.754  16.255  0.000 11.875 0 217 HIS   A HD1  1 c 
ATOM   1726 H HD2  . HIS   A 1 105 ? -21.242 -4.031  17.954  1.000 10.558 0 217 HIS   A HD2  1 c 
ATOM   1727 H HE1  . HIS   A 1 105 ? -19.996 -5.907  14.700  1.000 11.602 0 217 HIS   A HE1  1 c 
ATOM   1728 H HE2  . HIS   A 1 105 ? -21.846 -4.812  15.720  0.000 11.730 0 217 HIS   A HE2  1 c 
ATOM   1729 N N    . LEU   A 1 106 ? -18.089 -2.151  16.537  1.000 5.468  0 218 LEU   A N    1 ? 
ATOM   1730 C CA   . LEU   A 1 106 ? -18.676 -0.981  15.891  1.000 5.536  0 218 LEU   A CA   1 ? 
ATOM   1731 C C    . LEU   A 1 106 ? -19.881 -1.378  15.038  1.000 5.825  0 218 LEU   A C    1 ? 
ATOM   1732 O O    . LEU   A 1 106 ? -20.975 -0.839  15.210  1.000 7.523  0 218 LEU   A O    1 ? 
ATOM   1733 C CB   . LEU   A 1 106 ? -17.636 -0.235  15.078  1.000 5.813  0 218 LEU   A CB   1 ? 
ATOM   1734 C CG   . LEU   A 1 106 ? -18.145 1.042   14.405  1.000 6.842  0 218 LEU   A CG   1 ? 
ATOM   1735 C CD1  . LEU   A 1 106 ? -18.624 2.042   15.430  1.000 8.162  0 218 LEU   A CD1  1 ? 
ATOM   1736 C CD2  . LEU   A 1 106 ? -17.084 1.600   13.504  1.000 7.470  0 218 LEU   A CD2  1 ? 
ATOM   1737 H H    . LEU   A 1 106 ? -17.684 -2.781  16.013  1.000 5.647  0 218 LEU   A H    1 c 
ATOM   1738 H HA   . LEU   A 1 106 ? -19.004 -0.379  16.604  1.000 5.596  0 218 LEU   A HA   1 c 
ATOM   1739 H HB2  . LEU   A 1 106 ? -16.888 0.001   15.674  1.000 5.900  0 218 LEU   A HB2  1 c 
ATOM   1740 H HB3  . LEU   A 1 106 ? -17.294 -0.841  14.380  1.000 5.885  0 218 LEU   A HB3  1 c 
ATOM   1741 H HG   . LEU   A 1 106 ? -18.920 0.800   13.836  1.000 6.844  0 218 LEU   A HG   1 c 
ATOM   1742 H HD11 . LEU   A 1 106 ? -19.411 1.696   15.882  1.000 7.778  0 218 LEU   A HD11 1 c 
ATOM   1743 H HD12 . LEU   A 1 106 ? -18.849 2.877   14.987  1.000 7.854  0 218 LEU   A HD12 1 c 
ATOM   1744 H HD13 . LEU   A 1 106 ? -17.921 2.202   16.082  1.000 7.827  0 218 LEU   A HD13 1 c 
ATOM   1745 H HD21 . LEU   A 1 106 ? -16.859 0.944   12.823  1.000 7.379  0 218 LEU   A HD21 1 c 
ATOM   1746 H HD22 . LEU   A 1 106 ? -16.291 1.808   14.026  1.000 7.327  0 218 LEU   A HD22 1 c 
ATOM   1747 H HD23 . LEU   A 1 106 ? -17.412 2.409   13.078  1.000 7.283  0 218 LEU   A HD23 1 c 
ATOM   1748 N N    . LEU   A 1 107 ? -19.689 -2.266  14.051  1.000 5.176  0 219 LEU   A N    1 ? 
ATOM   1749 C CA   . LEU   A 1 107 ? -20.764 -2.529  13.102  1.000 5.305  0 219 LEU   A CA   1 ? 
ATOM   1750 C C    . LEU   A 1 107 ? -20.481 -3.849  12.380  1.000 5.146  0 219 LEU   A C    1 ? 
ATOM   1751 O O    . LEU   A 1 107 ? -19.372 -4.380  12.406  1.000 5.289  0 219 LEU   A O    1 ? 
ATOM   1752 C CB   . LEU   A 1 107 ? -20.953 -1.371  12.104  1.000 5.820  0 219 LEU   A CB   1 ? 
ATOM   1753 C CG   . LEU   A 1 107 ? -19.780 -1.024  11.183  1.000 6.155  0 219 LEU   A CG   1 ? 
ATOM   1754 C CD1  . LEU   A 1 107 ? -19.629 -1.927  9.981   1.000 6.622  0 219 LEU   A CD1  1 ? 
ATOM   1755 C CD2  . LEU   A 1 107 ? -19.933 0.424   10.734  1.000 6.531  0 219 LEU   A CD2  1 ? 
ATOM   1756 H H    . LEU   A 1 107 ? -18.891 -2.705  13.966  1.000 5.287  0 219 LEU   A H    1 c 
ATOM   1757 H HA   . LEU   A 1 107 ? -21.603 -2.641  13.619  1.000 5.331  0 219 LEU   A HA   1 c 
ATOM   1758 H HB2  . LEU   A 1 107 ? -21.732 -1.583  11.540  1.000 5.749  0 219 LEU   A HB2  1 c 
ATOM   1759 H HB3  . LEU   A 1 107 ? -21.191 -0.564  12.617  1.000 5.777  0 219 LEU   A HB3  1 c 
ATOM   1760 H HG   . LEU   A 1 107 ? -18.945 -1.089  11.715  1.000 6.190  0 219 LEU   A HG   1 c 
ATOM   1761 H HD11 . LEU   A 1 107 ? -19.391 -2.822  10.271  1.000 6.471  0 219 LEU   A HD11 1 c 
ATOM   1762 H HD12 . LEU   A 1 107 ? -18.930 -1.580  9.401   1.000 6.504  0 219 LEU   A HD12 1 c 
ATOM   1763 H HD13 . LEU   A 1 107 ? -20.469 -1.958  9.491   1.000 6.509  0 219 LEU   A HD13 1 c 
ATOM   1764 H HD21 . LEU   A 1 107 ? -19.906 1.010   11.510  1.000 6.426  0 219 LEU   A HD21 1 c 
ATOM   1765 H HD22 . LEU   A 1 107 ? -20.783 0.535   10.276  1.000 6.450  0 219 LEU   A HD22 1 c 
ATOM   1766 H HD23 . LEU   A 1 107 ? -19.207 0.656   10.130  1.000 6.458  0 219 LEU   A HD23 1 c 
ATOM   1767 N N    A GLN   A 1 108 ? -21.528 -4.352  11.736  0.500 5.185  0 220 GLN   A N    1 ? 
ATOM   1768 N N    B GLN   A 1 108 ? -21.496 -4.312  11.681  0.500 5.397  0 220 GLN   A N    1 ? 
ATOM   1769 C CA   A GLN   A 1 108 ? -21.497 -5.453  10.783  0.500 5.408  0 220 GLN   A CA   1 ? 
ATOM   1770 C CA   B GLN   A 1 108 ? -21.343 -5.392  10.733  0.500 5.821  0 220 GLN   A CA   1 ? 
ATOM   1771 C C    A GLN   A 1 108 ? -21.944 -4.923  9.422   0.500 5.112  0 220 GLN   A C    1 ? 
ATOM   1772 C C    B GLN   A 1 108 ? -22.018 -5.013  9.422   0.500 5.299  0 220 GLN   A C    1 ? 
ATOM   1773 O O    A GLN   A 1 108 ? -22.745 -3.984  9.346   0.500 5.115  0 220 GLN   A O    1 ? 
ATOM   1774 O O    B GLN   A 1 108 ? -23.062 -4.351  9.384   0.500 5.875  0 220 GLN   A O    1 ? 
ATOM   1775 C CB   A GLN   A 1 108 ? -22.372 -6.633  11.245  0.500 6.126  0 220 GLN   A CB   1 ? 
ATOM   1776 C CB   B GLN   A 1 108 ? -21.885 -6.709  11.283  0.500 7.115  0 220 GLN   A CB   1 ? 
ATOM   1777 C CG   A GLN   A 1 108 ? -21.868 -7.217  12.557  0.500 7.851  0 220 GLN   A CG   1 ? 
ATOM   1778 C CG   B GLN   A 1 108 ? -23.386 -6.709  11.531  0.500 9.348  0 220 GLN   A CG   1 ? 
ATOM   1779 C CD   A GLN   A 1 108 ? -22.644 -8.412  13.031  0.500 10.127 0 220 GLN   A CD   1 ? 
ATOM   1780 C CD   B GLN   A 1 108 ? -23.930 -8.027  12.046  0.500 11.885 0 220 GLN   A CD   1 ? 
ATOM   1781 O OE1  A GLN   A 1 108 ? -22.406 -8.905  14.131  0.500 13.787 0 220 GLN   A OE1  1 ? 
ATOM   1782 O OE1  B GLN   A 1 108 ? -23.489 -8.571  13.063  0.500 14.634 0 220 GLN   A OE1  1 ? 
ATOM   1783 N NE2  A GLN   A 1 108 ? -23.582 -8.881  12.221  0.500 9.457  0 220 GLN   A NE2  1 ? 
ATOM   1784 N NE2  B GLN   A 1 108 ? -24.863 -8.594  11.305  0.500 14.253 0 220 GLN   A NE2  1 ? 
ATOM   1785 H H    A GLN   A 1 108 ? -22.342 -3.973  11.906  0.500 5.201  0 220 GLN   A H    1 c 
ATOM   1786 H H    B GLN   A 1 108 ? -22.324 -3.944  11.797  0.500 5.395  0 220 GLN   A H    1 c 
ATOM   1787 H HA   A GLN   A 1 108 ? -20.564 -5.769  10.707  0.500 5.384  0 220 GLN   A HA   1 c 
ATOM   1788 H HA   B GLN   A 1 108 ? -20.378 -5.510  10.560  0.500 5.773  0 220 GLN   A HA   1 c 
ATOM   1789 H HB2  A GLN   A 1 108 ? -23.296 -6.326  11.359  0.500 6.164  0 220 GLN   A HB2  1 c 
ATOM   1790 H HB2  B GLN   A 1 108 ? -21.668 -7.425  10.650  0.500 7.059  0 220 GLN   A HB2  1 c 
ATOM   1791 H HB3  A GLN   A 1 108 ? -22.366 -7.330  10.555  0.500 6.154  0 220 GLN   A HB3  1 c 
ATOM   1792 H HB3  B GLN   A 1 108 ? -21.425 -6.909  12.125  0.500 7.086  0 220 GLN   A HB3  1 c 
ATOM   1793 H HG2  A GLN   A 1 108 ? -20.928 -7.477  12.452  0.500 7.639  0 220 GLN   A HG2  1 c 
ATOM   1794 H HG2  B GLN   A 1 108 ? -23.603 -6.008  12.181  0.500 9.098  0 220 GLN   A HG2  1 c 
ATOM   1795 H HG3  A GLN   A 1 108 ? -21.907 -6.525  13.252  0.500 7.616  0 220 GLN   A HG3  1 c 
ATOM   1796 H HG3  B GLN   A 1 108 ? -23.847 -6.490  10.694  0.500 9.110  0 220 GLN   A HG3  1 c 
ATOM   1797 H HE21 A GLN   A 1 108 ? -23.726 -8.490  11.438  0.500 9.540  0 220 GLN   A HE21 1 c 
ATOM   1798 H HE21 B GLN   A 1 108 ? -25.125 -8.206  10.552  0.500 13.681 0 220 GLN   A HE21 1 c 
ATOM   1799 H HE22 A GLN   A 1 108 ? -24.065 -9.585  12.463  0.500 9.371  0 220 GLN   A HE22 1 c 
ATOM   1800 H HE22 B GLN   A 1 108 ? -25.226 -9.361  11.561  0.500 13.599 0 220 GLN   A HE22 1 c 
ATOM   1801 N N    . TYR   A 1 109 ? -21.414 -5.529  8.362   1.000 4.733  0 221 TYR   A N    1 ? 
ATOM   1802 C CA   . TYR   A 1 109 ? -21.798 -5.193  6.995   1.000 4.916  0 221 TYR   A CA   1 ? 
ATOM   1803 C C    . TYR   A 1 109 ? -21.984 -6.481  6.214   1.000 4.506  0 221 TYR   A C    1 ? 
ATOM   1804 O O    . TYR   A 1 109 ? -21.005 -7.199  5.984   1.000 4.744  0 221 TYR   A O    1 ? 
ATOM   1805 C CB   . TYR   A 1 109 ? -20.728 -4.296  6.344   1.000 5.082  0 221 TYR   A CB   1 ? 
ATOM   1806 C CG   . TYR   A 1 109 ? -21.106 -3.761  4.972   1.000 5.308  0 221 TYR   A CG   1 ? 
ATOM   1807 C CD1  . TYR   A 1 109 ? -21.837 -2.587  4.853   1.000 5.178  0 221 TYR   A CD1  1 ? 
ATOM   1808 C CD2  . TYR   A 1 109 ? -20.754 -4.442  3.797   1.000 5.094  0 221 TYR   A CD2  1 ? 
ATOM   1809 C CE1  . TYR   A 1 109 ? -22.146 -2.075  3.624   1.000 5.035  0 221 TYR   A CE1  1 ? 
ATOM   1810 C CE2  . TYR   A 1 109 ? -21.077 -3.917  2.560   1.000 5.049  0 221 TYR   A CE2  1 ? 
ATOM   1811 C CZ   . TYR   A 1 109 ? -21.776 -2.723  2.474   1.000 4.752  0 221 TYR   A CZ   1 ? 
ATOM   1812 O OH   . TYR   A 1 109 ? -22.093 -2.158  1.269   1.000 4.842  0 221 TYR   A OH   1 ? 
ATOM   1813 H H    . TYR   A 1 109 ? -20.756 -6.152  8.486   1.000 4.897  0 221 TYR   A H    1 c 
ATOM   1814 H HA   . TYR   A 1 109 ? -22.661 -4.700  7.010   1.000 4.842  0 221 TYR   A HA   1 c 
ATOM   1815 H HB2  . TYR   A 1 109 ? -20.553 -3.536  6.942   1.000 5.091  0 221 TYR   A HB2  1 c 
ATOM   1816 H HB3  . TYR   A 1 109 ? -19.895 -4.811  6.265   1.000 5.098  0 221 TYR   A HB3  1 c 
ATOM   1817 H HD1  . TYR   A 1 109 ? -22.077 -2.107  5.630   1.000 5.160  0 221 TYR   A HD1  1 c 
ATOM   1818 H HD2  . TYR   A 1 109 ? -20.254 -5.242  3.850   1.000 5.131  0 221 TYR   A HD2  1 c 
ATOM   1819 H HE1  . TYR   A 1 109 ? -22.618 -1.262  3.565   1.000 4.991  0 221 TYR   A HE1  1 c 
ATOM   1820 H HE2  . TYR   A 1 109 ? -20.814 -4.365  1.774   1.000 4.945  0 221 TYR   A HE2  1 c 
ATOM   1821 H HH   . TYR   A 1 109 ? -21.459 -1.640  1.012   0.000 4.843  0 221 TYR   A HH   1 c 
ATOM   1822 N N    . ASN   A 1 110 ? -23.215 -6.782  5.825   1.000 4.772  0 222 ASN   A N    1 ? 
ATOM   1823 C CA   . ASN   A 1 110 ? -23.485 -8.048  5.138   1.000 5.144  0 222 ASN   A CA   1 ? 
ATOM   1824 C C    . ASN   A 1 110 ? -22.797 -8.086  3.778   1.000 5.074  0 222 ASN   A C    1 ? 
ATOM   1825 O O    . ASN   A 1 110 ? -22.734 -7.101  3.057   1.000 5.427  0 222 ASN   A O    1 ? 
ATOM   1826 C CB   . ASN   A 1 110 ? -24.989 -8.222  4.968   1.000 6.826  0 222 ASN   A CB   1 ? 
ATOM   1827 C CG   . ASN   A 1 110 ? -25.435 -9.290  5.900   1.000 13.080 0 222 ASN   A CG   1 ? 
ATOM   1828 O OD1  . ASN   A 1 110 ? -25.188 -9.157  7.096   1.000 16.795 0 222 ASN   A OD1  1 ? 
ATOM   1829 N ND2  . ASN   A 1 110 ? -25.969 -10.372 5.367   1.000 16.823 0 222 ASN   A ND2  1 ? 
ATOM   1830 H H    . ASN   A 1 110 ? -23.902 -6.200  5.982   1.000 4.741  0 222 ASN   A H    1 c 
ATOM   1831 H HA   . ASN   A 1 110 ? -23.147 -8.785  5.692   1.000 5.205  0 222 ASN   A HA   1 c 
ATOM   1832 H HB2  . ASN   A 1 110 ? -25.451 -7.386  5.176   1.000 6.620  0 222 ASN   A HB2  1 c 
ATOM   1833 H HB3  . ASN   A 1 110 ? -25.195 -8.473  4.046   1.000 6.732  0 222 ASN   A HB3  1 c 
ATOM   1834 H HD21 . ASN   A 1 110 ? -26.046 -10.449 4.486   1.000 15.313 0 222 ASN   A HD21 1 c 
ATOM   1835 H HD22 . ASN   A 1 110 ? -26.254 -11.026 5.893   1.000 15.747 0 222 ASN   A HD22 1 c 
ATOM   1836 N N    . HIS   A 1 111 ? -22.359 -9.290  3.371   1.000 4.927  0 223 HIS   A N    1 ? 
ATOM   1837 C CA   . HIS   A 1 111 ? -21.691 -9.439  2.099   1.000 4.813  0 223 HIS   A CA   1 ? 
ATOM   1838 C C    . HIS   A 1 111 ? -22.666 -9.230  0.937   1.000 4.939  0 223 HIS   A C    1 ? 
ATOM   1839 O O    . HIS   A 1 111 ? -23.637 -9.962  0.794   1.000 7.210  0 223 HIS   A O    1 ? 
ATOM   1840 C CB   . HIS   A 1 111 ? -21.090 -10.839 1.967   1.000 4.908  0 223 HIS   A CB   1 ? 
ATOM   1841 C CG   . HIS   A 1 111 ? -19.982 -11.080 2.908   1.000 4.591  0 223 HIS   A CG   1 ? 
ATOM   1842 N ND1  . HIS   A 1 111 ? -18.907 -10.230 3.041   1.000 4.711  0 223 HIS   A ND1  1 ? 
ATOM   1843 C CD2  . HIS   A 1 111 ? -19.782 -12.116 3.772   1.000 4.565  0 223 HIS   A CD2  1 ? 
ATOM   1844 C CE1  . HIS   A 1 111 ? -18.129 -10.745 3.977   1.000 4.774  0 223 HIS   A CE1  1 ? 
ATOM   1845 N NE2  . HIS   A 1 111 ? -18.627 -11.915 4.435   1.000 4.839  0 223 HIS   A NE2  1 ? 
ATOM   1846 H H    . HIS   A 1 111 ? -22.486 -10.025 3.898   1.000 4.918  0 223 HIS   A H    1 c 
ATOM   1847 H HA   . HIS   A 1 111 ? -20.970 -8.765  2.037   1.000 4.847  0 223 HIS   A HA   1 c 
ATOM   1848 H HB2  . HIS   A 1 111 ? -21.796 -11.503 2.128   1.000 4.815  0 223 HIS   A HB2  1 c 
ATOM   1849 H HB3  . HIS   A 1 111 ? -20.762 -10.959 1.049   1.000 4.826  0 223 HIS   A HB3  1 c 
ATOM   1850 H HD1  . HIS   A 1 111 ? -18.792 -9.484  2.587   0.000 4.477  0 223 HIS   A HD1  1 c 
ATOM   1851 H HD2  . HIS   A 1 111 ? -20.354 -12.848 3.893   1.000 4.625  0 223 HIS   A HD2  1 c 
ATOM   1852 H HE1  . HIS   A 1 111 ? -17.318 -10.355 4.255   1.000 4.756  0 223 HIS   A HE1  1 c 
ATOM   1853 H HE2  . HIS   A 1 111 ? -18.261 -12.410 5.060   0.000 4.548  0 223 HIS   A HE2  1 c 
ATOM   1854 N N    . ARG   A 1 112 ? -22.346 -8.254  0.104   1.000 4.681  0 224 ARG   A N    1 ? 
ATOM   1855 C CA   . ARG   A 1 112 ? -23.026 -7.996  -1.163  1.000 4.792  0 224 ARG   A CA   1 ? 
ATOM   1856 C C    . ARG   A 1 112 ? -22.263 -8.631  -2.322  1.000 4.903  0 224 ARG   A C    1 ? 
ATOM   1857 O O    . ARG   A 1 112 ? -22.865 -9.254  -3.218  1.000 6.280  0 224 ARG   A O    1 ? 
ATOM   1858 C CB   . ARG   A 1 112 ? -23.186 -6.499  -1.375  1.000 4.780  0 224 ARG   A CB   1 ? 
ATOM   1859 C CG   . ARG   A 1 112 ? -23.976 -5.802  -0.283  1.000 5.102  0 224 ARG   A CG   1 ? 
ATOM   1860 C CD   . ARG   A 1 112 ? -24.241 -4.355  -0.654  1.000 5.191  0 224 ARG   A CD   1 ? 
ATOM   1861 N NE   . ARG   A 1 112 ? -24.835 -3.633  0.474   1.000 5.305  0 224 ARG   A NE   1 ? 
ATOM   1862 C CZ   . ARG   A 1 112 ? -24.951 -2.299  0.477   1.000 5.372  0 224 ARG   A CZ   1 ? 
ATOM   1863 N NH1  . ARG   A 1 112 ? -24.754 -1.612  -0.640  1.000 5.550  0 224 ARG   A NH1  1 ? 
ATOM   1864 N NH2  . ARG   A 1 112 ? -25.322 -1.677  1.583   1.000 6.281  0 224 ARG   A NH2  1 ? 
ATOM   1865 H H    . ARG   A 1 112 ? -21.658 -7.698  0.337   1.000 4.742  0 224 ARG   A H    1 c 
ATOM   1866 H HA   . ARG   A 1 112 ? -23.929 -8.403  -1.122  1.000 4.769  0 224 ARG   A HA   1 c 
ATOM   1867 H HB2  . ARG   A 1 112 ? -22.295 -6.092  -1.430  1.000 4.839  0 224 ARG   A HB2  1 c 
ATOM   1868 H HB3  . ARG   A 1 112 ? -23.636 -6.349  -2.234  1.000 4.818  0 224 ARG   A HB3  1 c 
ATOM   1869 H HG2  . ARG   A 1 112 ? -24.832 -6.265  -0.151  1.000 5.055  0 224 ARG   A HG2  1 c 
ATOM   1870 H HG3  . ARG   A 1 112 ? -23.471 -5.833  0.559   1.000 5.055  0 224 ARG   A HG3  1 c 
ATOM   1871 H HD2  . ARG   A 1 112 ? -23.402 -3.924  -0.912  1.000 5.176  0 224 ARG   A HD2  1 c 
ATOM   1872 H HD3  . ARG   A 1 112 ? -24.850 -4.320  -1.419  1.000 5.182  0 224 ARG   A HD3  1 c 
ATOM   1873 H HE   . ARG   A 1 112 ? -25.122 -4.085  1.162   1.000 5.265  0 224 ARG   A HE   1 c 
ATOM   1874 H HH11 . ARG   A 1 112 ? -24.362 -0.815  -0.598  1.000 5.498  0 224 ARG   A HH11 1 c 
ATOM   1875 H HH12 . ARG   A 1 112 ? -25.019 -1.943  -1.419  1.000 5.487  0 224 ARG   A HH12 1 c 
ATOM   1876 H HH21 . ARG   A 1 112 ? -25.250 -0.797  1.635   1.000 6.019  0 224 ARG   A HH21 1 c 
ATOM   1877 H HH22 . ARG   A 1 112 ? -25.641 -2.140  2.265   1.000 5.970  0 224 ARG   A HH22 1 c 
ATOM   1878 N N    . VAL   A 1 113 ? -20.947 -8.467  -2.292  1.000 5.186  0 225 VAL   A N    1 ? 
ATOM   1879 C CA   . VAL   A 1 113 ? -20.029 -9.182  -3.168  1.000 5.025  0 225 VAL   A CA   1 ? 
ATOM   1880 C C    . VAL   A 1 113 ? -19.745 -10.550 -2.549  1.000 5.231  0 225 VAL   A C    1 ? 
ATOM   1881 O O    . VAL   A 1 113 ? -19.300 -10.646 -1.405  1.000 7.062  0 225 VAL   A O    1 ? 
ATOM   1882 C CB   . VAL   A 1 113 ? -18.744 -8.376  -3.376  1.000 5.513  0 225 VAL   A CB   1 ? 
ATOM   1883 C CG1  . VAL   A 1 113 ? -17.694 -9.212  -4.123  1.000 6.069  0 225 VAL   A CG1  1 ? 
ATOM   1884 C CG2  . VAL   A 1 113 ? -19.039 -7.090  -4.096  1.000 5.633  0 225 VAL   A CG2  1 ? 
ATOM   1885 H H    . VAL   A 1 113 ? -20.596 -7.867  -1.699  1.000 5.078  0 225 VAL   A H    1 c 
ATOM   1886 H HA   . VAL   A 1 113 ? -20.460 -9.310  -4.035  1.000 4.993  0 225 VAL   A HA   1 c 
ATOM   1887 H HB   . VAL   A 1 113 ? -18.386 -8.156  -2.483  1.000 5.508  0 225 VAL   A HB   1 c 
ATOM   1888 H HG11 . VAL   A 1 113 ? -18.081 -9.562  -4.943  1.000 5.932  0 225 VAL   A HG11 1 c 
ATOM   1889 H HG12 . VAL   A 1 113 ? -17.402 -9.950  -3.562  1.000 5.979  0 225 VAL   A HG12 1 c 
ATOM   1890 H HG13 . VAL   A 1 113 ? -16.930 -8.652  -4.341  1.000 5.945  0 225 VAL   A HG13 1 c 
ATOM   1891 H HG21 . VAL   A 1 113 ? -18.208 -6.615  -4.267  1.000 5.570  0 225 VAL   A HG21 1 c 
ATOM   1892 H HG22 . VAL   A 1 113 ? -19.621 -6.536  -3.549  1.000 5.594  0 225 VAL   A HG22 1 c 
ATOM   1893 H HG23 . VAL   A 1 113 ? -19.479 -7.285  -4.941  1.000 5.618  0 225 VAL   A HG23 1 c 
ATOM   1894 N N    . LYS   A 1 114 ? -20.052 -11.606 -3.282  1.000 5.101  0 226 LYS   A N    1 ? 
ATOM   1895 C CA   . LYS   A 1 114 ? -20.076 -12.943 -2.726  1.000 5.609  0 226 LYS   A CA   1 ? 
ATOM   1896 C C    . LYS   A 1 114 ? -18.826 -13.753 -3.034  1.000 5.128  0 226 LYS   A C    1 ? 
ATOM   1897 O O    . LYS   A 1 114 ? -18.601 -14.778 -2.402  1.000 5.658  0 226 LYS   A O    1 ? 
ATOM   1898 C CB   . LYS   A 1 114 ? -21.354 -13.626 -3.137  1.000 7.550  0 226 LYS   A CB   1 ? 
ATOM   1899 C CG   . LYS   A 1 114 ? -22.516 -12.786 -2.551  1.000 9.413  0 226 LYS   A CG   1 ? 
ATOM   1900 C CD   . LYS   A 1 114 ? -23.812 -13.489 -2.744  1.000 9.974  0 226 LYS   A CD   1 ? 
ATOM   1901 C CE   . LYS   A 1 114 ? -24.907 -12.555 -2.367  1.000 9.017  0 226 LYS   A CE   1 ? 
ATOM   1902 N NZ   . LYS   A 1 114 ? -25.081 -12.395 -0.909  1.000 8.995  0 226 LYS   A NZ   1 ? 
ATOM   1903 H H    . LYS   A 1 114 ? -20.260 -11.494 -4.165  1.000 5.177  0 226 LYS   A H    1 c 
ATOM   1904 H HA   . LYS   A 1 114 ? -20.120 -12.854 -1.740  1.000 5.584  0 226 LYS   A HA   1 c 
ATOM   1905 H HB2  . LYS   A 1 114 ? -21.428 -13.661 -4.115  1.000 7.266  0 226 LYS   A HB2  1 c 
ATOM   1906 H HB3  . LYS   A 1 114 ? -21.389 -14.539 -2.779  1.000 7.179  0 226 LYS   A HB3  1 c 
ATOM   1907 H HG2  . LYS   A 1 114 ? -22.359 -12.638 -1.594  1.000 8.901  0 226 LYS   A HG2  1 c 
ATOM   1908 H HG3  . LYS   A 1 114 ? -22.543 -11.915 -3.004  1.000 9.014  0 226 LYS   A HG3  1 c 
ATOM   1909 H HD2  . LYS   A 1 114 ? -23.913 -13.755 -3.684  1.000 9.724  0 226 LYS   A HD2  1 c 
ATOM   1910 H HD3  . LYS   A 1 114 ? -23.849 -14.288 -2.174  1.000 9.707  0 226 LYS   A HD3  1 c 
ATOM   1911 H HE2  . LYS   A 1 114 ? -24.739 -11.679 -2.759  1.000 9.169  0 226 LYS   A HE2  1 c 
ATOM   1912 H HE3  . LYS   A 1 114 ? -25.742 -12.887 -2.742  1.000 9.226  0 226 LYS   A HE3  1 c 
ATOM   1913 H HZ1  . LYS   A 1 114 ? -24.357 -11.984 -0.551  1.000 8.977  0 226 LYS   A HZ1  1 c 
ATOM   1914 H HZ2  . LYS   A 1 114 ? -25.179 -13.211 -0.529  1.000 9.026  0 226 LYS   A HZ2  1 c 
ATOM   1915 H HZ3  . LYS   A 1 114 ? -25.819 -11.897 -0.741  1.000 9.045  0 226 LYS   A HZ3  1 c 
ATOM   1916 N N    . LYS   A 1 115 ? -18.031 -13.313 -3.999  1.000 5.044  0 227 LYS   A N    1 ? 
ATOM   1917 C CA   . LYS   A 1 115 ? -16.790 -14.006 -4.338  1.000 5.209  0 227 LYS   A CA   1 ? 
ATOM   1918 C C    . LYS   A 1 115 ? -15.676 -13.513 -3.414  1.000 5.043  0 227 LYS   A C    1 ? 
ATOM   1919 O O    . LYS   A 1 115 ? -14.817 -12.733 -3.799  1.000 4.848  0 227 LYS   A O    1 ? 
ATOM   1920 C CB   . LYS   A 1 115 ? -16.470 -13.776 -5.812  1.000 6.809  0 227 LYS   A CB   1 ? 
ATOM   1921 C CG   . LYS   A 1 115 ? -17.410 -14.478 -6.755  1.000 8.166  0 227 LYS   A CG   1 ? 
ATOM   1922 C CD   . LYS   A 1 115 ? -17.183 -14.192 -8.224  1.000 10.685 0 227 LYS   A CD   1 ? 
ATOM   1923 C CE   . LYS   A 1 115 ? -18.079 -14.959 -9.106  1.000 14.417 0 227 LYS   A CE   1 ? 
ATOM   1924 N NZ   . LYS   A 1 115 ? -18.079 -14.611 -10.509 1.000 19.428 0 227 LYS   A NZ   1 ? 
ATOM   1925 H H    . LYS   A 1 115 ? -18.259 -12.564 -4.468  1.000 5.078  0 227 LYS   A H    1 c 
ATOM   1926 H HA   . LYS   A 1 115 ? -16.920 -14.977 -4.192  1.000 5.256  0 227 LYS   A HA   1 c 
ATOM   1927 H HB2  . LYS   A 1 115 ? -16.500 -12.814 -5.999  1.000 6.698  0 227 LYS   A HB2  1 c 
ATOM   1928 H HB3  . LYS   A 1 115 ? -15.558 -14.088 -5.992  1.000 6.565  0 227 LYS   A HB3  1 c 
ATOM   1929 H HG2  . LYS   A 1 115 ? -17.330 -15.445 -6.606  1.000 8.148  0 227 LYS   A HG2  1 c 
ATOM   1930 H HG3  . LYS   A 1 115 ? -18.329 -14.220 -6.523  1.000 8.125  0 227 LYS   A HG3  1 c 
ATOM   1931 H HD2  . LYS   A 1 115 ? -17.319 -13.234 -8.386  1.000 10.473 0 227 LYS   A HD2  1 c 
ATOM   1932 H HD3  . LYS   A 1 115 ? -16.252 -14.407 -8.450  1.000 10.472 0 227 LYS   A HD3  1 c 
ATOM   1933 H HE2  . LYS   A 1 115 ? -17.851 -15.903 -9.028  1.000 14.044 0 227 LYS   A HE2  1 c 
ATOM   1934 H HE3  . LYS   A 1 115 ? -18.988 -14.855 -8.772  1.000 13.931 0 227 LYS   A HE3  1 c 
ATOM   1935 H HZ1  . LYS   A 1 115 ? -17.249 -14.730 -10.853 1.000 17.851 0 227 LYS   A HZ1  1 c 
ATOM   1936 H HZ2  . LYS   A 1 115 ? -18.322 -13.744 -10.609 1.000 17.915 0 227 LYS   A HZ2  1 c 
ATOM   1937 H HZ3  . LYS   A 1 115 ? -18.665 -15.138 -10.955 1.000 17.966 0 227 LYS   A HZ3  1 c 
ATOM   1938 N N    . LEU   A 1 116 ? -15.712 -14.013 -2.180  1.000 5.173  0 228 LEU   A N    1 ? 
ATOM   1939 C CA   . LEU   A 1 116 ? -14.809 -13.577 -1.123  1.000 5.352  0 228 LEU   A CA   1 ? 
ATOM   1940 C C    . LEU   A 1 116 ? -13.367 -13.780 -1.563  1.000 4.685  0 228 LEU   A C    1 ? 
ATOM   1941 O O    . LEU   A 1 116 ? -12.488 -12.977 -1.269  1.000 4.547  0 228 LEU   A O    1 ? 
ATOM   1942 C CB   . LEU   A 1 116 ? -15.073 -14.244 0.282   1.000 7.560  0 228 LEU   A CB   1 ? 
ATOM   1943 C CG   . LEU   A 1 116 ? -16.458 -13.990 0.836   1.000 6.094  0 228 LEU   A CG   1 ? 
ATOM   1944 C CD1  . LEU   A 1 116 ? -16.531 -14.690 2.148   1.000 6.807  0 228 LEU   A CD1  1 ? 
ATOM   1945 C CD2  . LEU   A 1 116 ? -16.811 -12.528 0.932   1.000 6.613  0 228 LEU   A CD2  1 ? 
ATOM   1946 H H    . LEU   A 1 116 ? -16.326 -14.661 -1.985  1.000 5.164  0 228 LEU   A H    1 c 
ATOM   1947 H HA   . LEU   A 1 116 ? -14.937 -12.600 -1.023  1.000 5.239  0 228 LEU   A HA   1 c 
ATOM   1948 H HB2  . LEU   A 1 116 ? -14.943 -15.216 0.193   1.000 6.960  0 228 LEU   A HB2  1 c 
ATOM   1949 H HB3  . LEU   A 1 116 ? -14.410 -13.896 0.921   1.000 6.706  0 228 LEU   A HB3  1 c 
ATOM   1950 H HG   . LEU   A 1 116 ? -17.114 -14.419 0.228   1.000 6.392  0 228 LEU   A HG   1 c 
ATOM   1951 H HD11 . LEU   A 1 116 ? -16.383 -15.642 2.017   1.000 6.681  0 228 LEU   A HD11 1 c 
ATOM   1952 H HD12 . LEU   A 1 116 ? -17.409 -14.552 2.541   1.000 6.621  0 228 LEU   A HD12 1 c 
ATOM   1953 H HD13 . LEU   A 1 116 ? -15.851 -14.335 2.744   1.000 6.633  0 228 LEU   A HD13 1 c 
ATOM   1954 H HD21 . LEU   A 1 116 ? -16.877 -12.148 0.040   1.000 6.518  0 228 LEU   A HD21 1 c 
ATOM   1955 H HD22 . LEU   A 1 116 ? -16.123 -12.059 1.433   1.000 6.519  0 228 LEU   A HD22 1 c 
ATOM   1956 H HD23 . LEU   A 1 116 ? -17.665 -12.429 1.386   1.000 6.458  0 228 LEU   A HD23 1 c 
ATOM   1957 N N    . ASN   A 1 117 ? -13.115 -14.915 -2.235  1.000 5.395  0 229 ASN   A N    1 ? 
ATOM   1958 C CA   . ASN   A 1 117 ? -11.739 -15.254 -2.619  1.000 6.053  0 229 ASN   A CA   1 ? 
ATOM   1959 C C    . ASN   A 1 117 ? -11.216 -14.438 -3.813  1.000 5.372  0 229 ASN   A C    1 ? 
ATOM   1960 O O    . ASN   A 1 117 ? -10.083 -14.642 -4.226  1.000 6.164  0 229 ASN   A O    1 ? 
ATOM   1961 C CB   . ASN   A 1 117 ? -11.505 -16.711 -2.820  1.000 8.103  0 229 ASN   A CB   1 ? 
ATOM   1962 C CG   . ASN   A 1 117 ? -12.099 -17.213 -4.078  1.000 10.518 0 229 ASN   A CG   1 ? 
ATOM   1963 O OD1  . ASN   A 1 117 ? -12.864 -16.560 -4.758  1.000 12.799 0 229 ASN   A OD1  1 ? 
ATOM   1964 N ND2  . ASN   A 1 117 ? -11.797 -18.466 -4.357  1.000 14.311 0 229 ASN   A ND2  1 ? 
ATOM   1965 H H    . ASN   A 1 117 ? -13.793 -15.489 -2.449  1.000 5.288  0 229 ASN   A H    1 c 
ATOM   1966 H HA   . ASN   A 1 117 ? -11.173 -15.002 -1.856  1.000 5.883  0 229 ASN   A HA   1 c 
ATOM   1967 H HB2  . ASN   A 1 117 ? -10.542 -16.882 -2.832  1.000 7.832  0 229 ASN   A HB2  1 c 
ATOM   1968 H HB3  . ASN   A 1 117 ? -11.889 -17.203 -2.068  1.000 7.852  0 229 ASN   A HB3  1 c 
ATOM   1969 H HD21 . ASN   A 1 117 ? -11.281 -18.934 -3.807  1.000 12.908 0 229 ASN   A HD21 1 c 
ATOM   1970 H HD22 . ASN   A 1 117 ? -12.111 -18.842 -5.096  1.000 13.030 0 229 ASN   A HD22 1 c 
ATOM   1971 N N    . GLU   A 1 118 ? -11.993 -13.438 -4.266  1.000 5.017  0 230 GLU   A N    1 ? 
ATOM   1972 C CA   . GLU   A 1 118 ? -11.552 -12.471 -5.265  1.000 4.877  0 230 GLU   A CA   1 ? 
ATOM   1973 C C    . GLU   A 1 118 ? -11.400 -11.070 -4.709  1.000 4.493  0 230 GLU   A C    1 ? 
ATOM   1974 O O    . GLU   A 1 118 ? -11.032 -10.171 -5.469  1.000 4.394  0 230 GLU   A O    1 ? 
ATOM   1975 C CB   . GLU   A 1 118 ? -12.517 -12.504 -6.436  1.000 5.182  0 230 GLU   A CB   1 ? 
ATOM   1976 C CG   . GLU   A 1 118 ? -12.476 -13.813 -7.191  1.000 6.030  0 230 GLU   A CG   1 ? 
ATOM   1977 C CD   . GLU   A 1 118 ? -13.260 -13.868 -8.482  1.000 7.243  0 230 GLU   A CD   1 ? 
ATOM   1978 O OE1  . GLU   A 1 118 ? -13.842 -12.852 -8.880  1.000 8.422  0 230 GLU   A OE1  1 ? 
ATOM   1979 O OE2  . GLU   A 1 118 ? -13.331 -14.970 -9.052  1.000 10.635 0 230 GLU   A OE2  1 ? 
ATOM   1980 H H    . GLU   A 1 118 ? -12.850 -13.374 -3.958  1.000 5.038  0 230 GLU   A H    1 c 
ATOM   1981 H HA   . GLU   A 1 118 ? -10.666 -12.760 -5.602  1.000 4.872  0 230 GLU   A HA   1 c 
ATOM   1982 H HB2  . GLU   A 1 118 ? -13.426 -12.353 -6.103  1.000 5.238  0 230 GLU   A HB2  1 c 
ATOM   1983 H HB3  . GLU   A 1 118 ? -12.297 -11.773 -7.050  1.000 5.286  0 230 GLU   A HB3  1 c 
ATOM   1984 H HG2  . GLU   A 1 118 ? -11.541 -14.027 -7.394  1.000 5.926  0 230 GLU   A HG2  1 c 
ATOM   1985 H HG3  . GLU   A 1 118 ? -12.811 -14.523 -6.603  1.000 5.912  0 230 GLU   A HG3  1 c 
ATOM   1986 N N    . ILE   A 1 119 ? -11.669 -10.883 -3.411  1.000 4.523  0 231 ILE   A N    1 ? 
ATOM   1987 C CA   . ILE   A 1 119 ? -11.502 -9.569  -2.761  1.000 4.479  0 231 ILE   A CA   1 ? 
ATOM   1988 C C    . ILE   A 1 119 ? -10.049 -9.494  -2.319  1.000 4.796  0 231 ILE   A C    1 ? 
ATOM   1989 O O    . ILE   A 1 119 ? -9.685  -9.878  -1.214  1.000 5.437  0 231 ILE   A O    1 ? 
ATOM   1990 C CB   . ILE   A 1 119 ? -12.482 -9.418  -1.598  1.000 4.575  0 231 ILE   A CB   1 ? 
ATOM   1991 C CG1  . ILE   A 1 119 ? -13.921 -9.569  -2.049  1.000 4.756  0 231 ILE   A CG1  1 ? 
ATOM   1992 C CG2  . ILE   A 1 119 ? -12.281 -8.096  -0.896  1.000 4.760  0 231 ILE   A CG2  1 ? 
ATOM   1993 C CD1  . ILE   A 1 119 ? -14.949 -9.581  -0.931  1.000 5.006  0 231 ILE   A CD1  1 ? 
ATOM   1994 H H    . ILE   A 1 119 ? -11.961 -11.585 -2.905  1.000 4.522  0 231 ILE   A H    1 c 
ATOM   1995 H HA   . ILE   A 1 119 ? -11.678 -8.866  -3.415  1.000 4.538  0 231 ILE   A HA   1 c 
ATOM   1996 H HB   . ILE   A 1 119 ? -12.296 -10.132 -0.956  1.000 4.595  0 231 ILE   A HB   1 c 
ATOM   1997 H HG12 . ILE   A 1 119 ? -14.133 -8.833  -2.659  1.000 4.745  0 231 ILE   A HG12 1 c 
ATOM   1998 H HG13 . ILE   A 1 119 ? -14.003 -10.404 -2.554  1.000 4.763  0 231 ILE   A HG13 1 c 
ATOM   1999 H HG21 . ILE   A 1 119 ? -12.899 -8.024  -0.150  1.000 4.719  0 231 ILE   A HG21 1 c 
ATOM   2000 H HG22 . ILE   A 1 119 ? -12.444 -7.369  -1.520  1.000 4.744  0 231 ILE   A HG22 1 c 
ATOM   2001 H HG23 . ILE   A 1 119 ? -11.371 -8.036  -0.562  1.000 4.726  0 231 ILE   A HG23 1 c 
ATOM   2002 H HD11 . ILE   A 1 119 ? -14.714 -10.270 -0.281  1.000 4.953  0 231 ILE   A HD11 1 c 
ATOM   2003 H HD12 . ILE   A 1 119 ? -15.829 -9.776  -1.304  1.000 4.939  0 231 ILE   A HD12 1 c 
ATOM   2004 H HD13 . ILE   A 1 119 ? -14.973 -8.712  -0.486  1.000 4.939  0 231 ILE   A HD13 1 c 
ATOM   2005 N N    . SER   A 1 120 ? -9.179  -9.080  -3.244  1.000 4.542  0 232 SER   A N    1 ? 
ATOM   2006 C CA   . SER   A 1 120 ? -7.757  -9.317  -3.131  1.000 4.915  0 232 SER   A CA   1 ? 
ATOM   2007 C C    . SER   A 1 120 ? -6.942  -8.064  -2.864  1.000 4.679  0 232 SER   A C    1 ? 
ATOM   2008 O O    . SER   A 1 120 ? -5.713  -8.140  -2.921  1.000 4.697  0 232 SER   A O    1 ? 
ATOM   2009 C CB   . SER   A 1 120 ? -7.238  -10.068 -4.353  1.000 5.388  0 232 SER   A CB   1 ? 
ATOM   2010 O OG   . SER   A 1 120 ? -7.941  -11.277 -4.516  1.000 5.995  0 232 SER   A OG   1 ? 
ATOM   2011 H H    . SER   A 1 120 ? -9.489  -8.629  -3.976  1.000 4.615  0 232 SER   A H    1 c 
ATOM   2012 H HA   . SER   A 1 120 ? -7.626  -9.912  -2.353  1.000 4.877  0 232 SER   A HA   1 c 
ATOM   2013 H HB2  . SER   A 1 120 ? -7.352  -9.514  -5.149  1.000 5.393  0 232 SER   A HB2  1 c 
ATOM   2014 H HB3  . SER   A 1 120 ? -6.287  -10.257 -4.242  1.000 5.352  0 232 SER   A HB3  1 c 
ATOM   2015 H HG   . SER   A 1 120 ? -7.634  -11.670 -5.198  0.000 6.080  0 232 SER   A HG   1 c 
ATOM   2016 N N    . LYS   A 1 121 ? -7.572  -6.949  -2.535  1.000 4.786  0 233 LYS   A N    1 ? 
ATOM   2017 C CA   . LYS   A 1 121 ? -6.843  -5.744  -2.189  1.000 5.448  0 233 LYS   A CA   1 ? 
ATOM   2018 C C    . LYS   A 1 121 ? -7.623  -4.976  -1.132  1.000 5.174  0 233 LYS   A C    1 ? 
ATOM   2019 O O    . LYS   A 1 121 ? -8.837  -4.917  -1.198  1.000 6.058  0 233 LYS   A O    1 ? 
ATOM   2020 C CB   . LYS   A 1 121 ? -6.627  -4.821  -3.378  1.000 7.285  0 233 LYS   A CB   1 ? 
ATOM   2021 H H    . LYS   A 1 121 ? -8.486  -6.931  -2.525  1.000 4.844  0 233 LYS   A H    1 c 
ATOM   2022 H HA   . LYS   A 1 121 ? -5.963  -6.002  -1.813  1.000 5.362  0 233 LYS   A HA   1 c 
ATOM   2023 H HB2  . LYS   A 1 121 ? -7.503  -4.559  -3.735  1.000 6.604  0 233 LYS   A HB2  1 c 
ATOM   2024 H HB3  . LYS   A 1 121 ? -6.160  -4.017  -3.072  0.000 7.548  0 233 LYS   A HB3  1 c 
ATOM   2025 N N    . LEU   A 1 122 ? -6.897  -4.359  -0.216  1.000 5.165  0 234 LEU   A N    1 ? 
ATOM   2026 C CA   . LEU   A 1 122 ? -7.429  -3.367  0.709   1.000 5.350  0 234 LEU   A CA   1 ? 
ATOM   2027 C C    . LEU   A 1 122 ? -6.747  -2.026  0.466   1.000 5.115  0 234 LEU   A C    1 ? 
ATOM   2028 O O    . LEU   A 1 122 ? -5.558  -1.923  0.679   1.000 5.821  0 234 LEU   A O    1 ? 
ATOM   2029 C CB   . LEU   A 1 122 ? -7.252  -3.798  2.157   1.000 5.708  0 234 LEU   A CB   1 ? 
ATOM   2030 C CG   . LEU   A 1 122 ? -7.587  -2.732  3.200   1.000 6.717  0 234 LEU   A CG   1 ? 
ATOM   2031 C CD1  . LEU   A 1 122 ? -9.042  -2.294  3.115   1.000 7.241  0 234 LEU   A CD1  1 ? 
ATOM   2032 C CD2  . LEU   A 1 122 ? -7.247  -3.228  4.568   1.000 7.991  0 234 LEU   A CD2  1 ? 
ATOM   2033 H H    . LEU   A 1 122 ? -6.008  -4.565  -0.156  1.000 5.150  0 234 LEU   A H    1 c 
ATOM   2034 H HA   . LEU   A 1 122 ? -8.395  -3.264  0.526   1.000 5.324  0 234 LEU   A HA   1 c 
ATOM   2035 H HB2  . LEU   A 1 122 ? -7.826  -4.583  2.318   1.000 5.634  0 234 LEU   A HB2  1 c 
ATOM   2036 H HB3  . LEU   A 1 122 ? -6.316  -4.076  2.284   1.000 5.673  0 234 LEU   A HB3  1 c 
ATOM   2037 H HG   . LEU   A 1 122 ? -7.021  -1.938  3.022   1.000 6.706  0 234 LEU   A HG   1 c 
ATOM   2038 H HD11 . LEU   A 1 122 ? -9.210  -1.882  2.251   1.000 7.024  0 234 LEU   A HD11 1 c 
ATOM   2039 H HD12 . LEU   A 1 122 ? -9.228  -1.652  3.820   1.000 7.050  0 234 LEU   A HD12 1 c 
ATOM   2040 H HD13 . LEU   A 1 122 ? -9.621  -3.067  3.222   1.000 7.147  0 234 LEU   A HD13 1 c 
ATOM   2041 H HD21 . LEU   A 1 122 ? -6.301  -3.450  4.608   1.000 7.651  0 234 LEU   A HD21 1 c 
ATOM   2042 H HD22 . LEU   A 1 122 ? -7.773  -4.021  4.766   1.000 7.712  0 234 LEU   A HD22 1 c 
ATOM   2043 H HD23 . LEU   A 1 122 ? -7.445  -2.538  5.223   1.000 7.710  0 234 LEU   A HD23 1 c 
ATOM   2044 N N    . GLY   A 1 123 ? -7.520  -1.032  0.027   1.000 4.862  0 235 GLY   A N    1 ? 
ATOM   2045 C CA   . GLY   A 1 123 ? -7.038  0.322   -0.061  1.000 5.404  0 235 GLY   A CA   1 ? 
ATOM   2046 C C    . GLY   A 1 123 ? -7.304  1.061   1.242   1.000 5.318  0 235 GLY   A C    1 ? 
ATOM   2047 O O    . GLY   A 1 123 ? -8.376  0.972   1.801   1.000 6.504  0 235 GLY   A O    1 ? 
ATOM   2048 H H    . GLY   A 1 123 ? -8.380  -1.209  -0.229  1.000 5.000  0 235 GLY   A H    1 c 
ATOM   2049 H HA2  . GLY   A 1 123 ? -6.073  0.316   -0.255  1.000 5.301  0 235 GLY   A HA2  1 c 
ATOM   2050 H HA3  . GLY   A 1 123 ? -7.496  0.783   -0.803  1.000 5.269  0 235 GLY   A HA3  1 c 
ATOM   2051 N N    . ILE   A 1 124 ? -6.325  1.858   1.668   1.000 5.273  0 236 ILE   A N    1 ? 
ATOM   2052 C CA   . ILE   A 1 124 ? -6.432  2.658   2.868   1.000 5.627  0 236 ILE   A CA   1 ? 
ATOM   2053 C C    . ILE   A 1 124 ? -6.124  4.098   2.488   1.000 6.142  0 236 ILE   A C    1 ? 
ATOM   2054 O O    . ILE   A 1 124 ? -5.041  4.360   1.967   1.000 7.050  0 236 ILE   A O    1 ? 
ATOM   2055 C CB   . ILE   A 1 124 ? -5.475  2.155   3.950   1.000 6.489  0 236 ILE   A CB   1 ? 
ATOM   2056 C CG1  . ILE   A 1 124 ? -5.708  0.669   4.235   1.000 7.840  0 236 ILE   A CG1  1 ? 
ATOM   2057 C CG2  . ILE   A 1 124 ? -5.634  2.998   5.206   1.000 7.532  0 236 ILE   A CG2  1 ? 
ATOM   2058 C CD1  . ILE   A 1 124 ? -4.600  0.010   4.979   1.000 9.676  0 236 ILE   A CD1  1 ? 
ATOM   2059 H H    . ILE   A 1 124 ? -5.551  1.903   1.184   1.000 5.314  0 236 ILE   A H    1 c 
ATOM   2060 H HA   . ILE   A 1 124 ? -7.346  2.606   3.207   1.000 5.707  0 236 ILE   A HA   1 c 
ATOM   2061 H HB   . ILE   A 1 124 ? -4.561  2.262   3.621   1.000 6.598  0 236 ILE   A HB   1 c 
ATOM   2062 H HG12 . ILE   A 1 124 ? -6.533  0.574   4.753   1.000 7.762  0 236 ILE   A HG12 1 c 
ATOM   2063 H HG13 . ILE   A 1 124 ? -5.833  0.199   3.386   1.000 7.669  0 236 ILE   A HG13 1 c 
ATOM   2064 H HG21 . ILE   A 1 124 ? -5.061  2.648   5.909   1.000 7.258  0 236 ILE   A HG21 1 c 
ATOM   2065 H HG22 . ILE   A 1 124 ? -6.559  2.971   5.503   1.000 7.295  0 236 ILE   A HG22 1 c 
ATOM   2066 H HG23 . ILE   A 1 124 ? -5.383  3.918   5.018   1.000 7.395  0 236 ILE   A HG23 1 c 
ATOM   2067 H HD11 . ILE   A 1 124 ? -3.768  0.105   4.477   1.000 9.146  0 236 ILE   A HD11 1 c 
ATOM   2068 H HD12 . ILE   A 1 124 ? -4.802  -0.938  5.093   1.000 9.184  0 236 ILE   A HD12 1 c 
ATOM   2069 H HD13 . ILE   A 1 124 ? -4.497  0.426   5.856   1.000 9.185  0 236 ILE   A HD13 1 c 
ATOM   2070 N N    . SER   A 1 125 ? -7.049  5.018   2.749   1.000 5.974  0 237 SER   A N    1 ? 
ATOM   2071 C CA   . SER   A 1 125 ? -6.896  6.393   2.317   1.000 6.399  0 237 SER   A CA   1 ? 
ATOM   2072 C C    . SER   A 1 125 ? -7.445  7.350   3.364   1.000 6.032  0 237 SER   A C    1 ? 
ATOM   2073 O O    . SER   A 1 125 ? -8.174  6.965   4.279   1.000 6.446  0 237 SER   A O    1 ? 
ATOM   2074 C CB   . SER   A 1 125 ? -7.520  6.614   0.969   1.000 7.568  0 237 SER   A CB   1 ? 
ATOM   2075 O OG   . SER   A 1 125 ? -8.888  6.383   0.910   1.000 9.948  0 237 SER   A OG   1 ? 
ATOM   2076 H H    . SER   A 1 125 ? -7.801  4.782   3.212   1.000 6.012  0 237 SER   A H    1 c 
ATOM   2077 H HA   . SER   A 1 125 ? -5.927  6.574   2.232   1.000 6.376  0 237 SER   A HA   1 c 
ATOM   2078 H HB2  . SER   A 1 125 ? -7.346  7.533   0.692   1.000 7.516  0 237 SER   A HB2  1 c 
ATOM   2079 H HB3  . SER   A 1 125 ? -7.077  6.031   0.323   1.000 7.413  0 237 SER   A HB3  1 c 
ATOM   2080 H HG   . SER   A 1 125 ? -9.151  6.528   0.119   0.000 9.991  0 237 SER   A HG   1 c 
ATOM   2081 N N    . GLY   A 1 126 ? -7.113  8.629   3.166   1.000 6.275  0 238 GLY   A N    1 ? 
ATOM   2082 C CA   . GLY   A 1 126 ? -7.653  9.703   3.978   1.000 6.432  0 238 GLY   A CA   1 ? 
ATOM   2083 C C    . GLY   A 1 126 ? -6.690  10.215  5.036   1.000 5.995  0 238 GLY   A C    1 ? 
ATOM   2084 O O    . GLY   A 1 126 ? -5.474  10.127  4.902   1.000 6.423  0 238 GLY   A O    1 ? 
ATOM   2085 H H    . GLY   A 1 126 ? -6.525  8.839   2.498   1.000 6.217  0 238 GLY   A H    1 c 
ATOM   2086 H HA2  . GLY   A 1 126 ? -7.900  10.449  3.385   1.000 6.321  0 238 GLY   A HA2  1 c 
ATOM   2087 H HA3  . GLY   A 1 126 ? -8.478  9.387   4.417   1.000 6.329  0 238 GLY   A HA3  1 c 
ATOM   2088 N N    . ASP   A 1 127 ? -7.272  10.819  6.078   1.000 6.236  0 239 ASP   A N    1 ? 
ATOM   2089 C CA   . ASP   A 1 127 ? -6.565  11.772  6.920   1.000 6.443  0 239 ASP   A CA   1 ? 
ATOM   2090 C C    . ASP   A 1 127 ? -5.990  11.052  8.138   1.000 6.240  0 239 ASP   A C    1 ? 
ATOM   2091 O O    . ASP   A 1 127 ? -6.373  11.296  9.273   1.000 7.174  0 239 ASP   A O    1 ? 
ATOM   2092 C CB   . ASP   A 1 127 ? -7.506  12.895  7.285   1.000 7.001  0 239 ASP   A CB   1 ? 
ATOM   2093 C CG   . ASP   A 1 127 ? -8.028  13.671  6.092   1.000 7.879  0 239 ASP   A CG   1 ? 
ATOM   2094 O OD1  . ASP   A 1 127 ? -7.257  13.781  5.106   1.000 11.465 0 239 ASP   A OD1  1 ? 
ATOM   2095 O OD2  . ASP   A 1 127 ? -9.178  14.160  6.148   1.000 7.581  0 239 ASP   A OD2  1 ? 
ATOM   2096 H H    . ASP   A 1 127 ? -8.144  10.626  6.274   1.000 6.168  0 239 ASP   A H    1 c 
ATOM   2097 H HA   . ASP   A 1 127 ? -5.821  12.153  6.404   1.000 6.534  0 239 ASP   A HA   1 c 
ATOM   2098 H HB2  . ASP   A 1 127 ? -8.272  12.524  7.771   1.000 7.008  0 239 ASP   A HB2  1 c 
ATOM   2099 H HB3  . ASP   A 1 127 ? -7.042  13.520  7.880   1.000 6.992  0 239 ASP   A HB3  1 c 
ATOM   2100 N N    . ILE   A 1 128 ? -5.045  10.185  7.846   1.000 6.369  0 240 ILE   A N    1 ? 
ATOM   2101 C CA   . ILE   A 1 128 ? -4.370  9.370   8.832   1.000 6.051  0 240 ILE   A CA   1 ? 
ATOM   2102 C C    . ILE   A 1 128 ? -2.877  9.360   8.566   1.000 6.354  0 240 ILE   A C    1 ? 
ATOM   2103 O O    . ILE   A 1 128 ? -2.428  9.522   7.431   1.000 7.919  0 240 ILE   A O    1 ? 
ATOM   2104 C CB   . ILE   A 1 128 ? -4.880  7.924   8.902   1.000 6.322  0 240 ILE   A CB   1 ? 
ATOM   2105 C CG1  . ILE   A 1 128 ? -4.577  7.185   7.615   1.000 7.732  0 240 ILE   A CG1  1 ? 
ATOM   2106 C CG2  . ILE   A 1 128 ? -6.355  7.908   9.260   1.000 7.298  0 240 ILE   A CG2  1 ? 
ATOM   2107 C CD1  . ILE   A 1 128 ? -4.887  5.703   7.667   1.000 8.869  0 240 ILE   A CD1  1 ? 
ATOM   2108 H H    . ILE   A 1 128 ? -4.793  10.095  6.972   1.000 6.186  0 240 ILE   A H    1 c 
ATOM   2109 H HA   . ILE   A 1 128 ? -4.517  9.778   9.707   1.000 6.211  0 240 ILE   A HA   1 c 
ATOM   2110 H HB   . ILE   A 1 128 ? -4.394  7.474   9.622   1.000 6.574  0 240 ILE   A HB   1 c 
ATOM   2111 H HG12 . ILE   A 1 128 ? -5.096  7.590   6.890   1.000 7.569  0 240 ILE   A HG12 1 c 
ATOM   2112 H HG13 . ILE   A 1 128 ? -3.629  7.294   7.401   1.000 7.559  0 240 ILE   A HG13 1 c 
ATOM   2113 H HG21 . ILE   A 1 128 ? -6.649  6.992   9.400   1.000 7.114  0 240 ILE   A HG21 1 c 
ATOM   2114 H HG22 . ILE   A 1 128 ? -6.869  8.304   8.537   1.000 7.080  0 240 ILE   A HG22 1 c 
ATOM   2115 H HG23 . ILE   A 1 128 ? -6.498  8.419   10.074  1.000 7.097  0 240 ILE   A HG23 1 c 
ATOM   2116 H HD11 . ILE   A 1 128 ? -4.407  5.295   8.412   1.000 8.615  0 240 ILE   A HD11 1 c 
ATOM   2117 H HD12 . ILE   A 1 128 ? -4.606  5.284   6.832   1.000 8.575  0 240 ILE   A HD12 1 c 
ATOM   2118 H HD13 . ILE   A 1 128 ? -5.846  5.568   7.788   1.000 8.562  0 240 ILE   A HD13 1 c 
ATOM   2119 N N    . ASP   A 1 129 ? -2.131  9.124   9.643   1.000 6.223  0 241 ASP   A N    1 ? 
ATOM   2120 C CA   . ASP   A 1 129 ? -0.774  8.602   9.595   1.000 6.811  0 241 ASP   A CA   1 ? 
ATOM   2121 C C    . ASP   A 1 129 ? -0.904  7.099   9.755   1.000 6.589  0 241 ASP   A C    1 ? 
ATOM   2122 O O    . ASP   A 1 129 ? -1.360  6.614   10.781  1.000 8.842  0 241 ASP   A O    1 ? 
ATOM   2123 C CB   . ASP   A 1 129 ? 0.042   9.188   10.744  1.000 9.842  0 241 ASP   A CB   1 ? 
ATOM   2124 C CG   . ASP   A 1 129 ? 0.308   10.674  10.678  1.000 15.237 0 241 ASP   A CG   1 ? 
ATOM   2125 O OD1  . ASP   A 1 129 ? 0.348   11.191  9.545   1.000 22.247 0 241 ASP   A OD1  1 ? 
ATOM   2126 O OD2  . ASP   A 1 129 ? 0.331   11.310  11.758  1.000 22.624 0 241 ASP   A OD2  1 ? 
ATOM   2127 H H    . ASP   A 1 129 ? -2.491  9.302   10.464  1.000 6.389  0 241 ASP   A H    1 c 
ATOM   2128 H HA   . ASP   A 1 129 ? -0.369  8.817   8.724   1.000 6.962  0 241 ASP   A HA   1 c 
ATOM   2129 H HB2  . ASP   A 1 129 ? -0.425  9.001   11.585  1.000 9.486  0 241 ASP   A HB2  1 c 
ATOM   2130 H HB3  . ASP   A 1 129 ? 0.907   8.729   10.775  1.000 9.391  0 241 ASP   A HB3  1 c 
ATOM   2131 N N    . LEU   A 1 130 ? -0.527  6.334   8.742   1.000 6.194  0 242 LEU   A N    1 ? 
ATOM   2132 C CA   . LEU   A 1 130 ? -0.696  4.896   8.761   1.000 6.015  0 242 LEU   A CA   1 ? 
ATOM   2133 C C    . LEU   A 1 130 ? 0.580   4.222   9.279   1.000 6.349  0 242 LEU   A C    1 ? 
ATOM   2134 O O    . LEU   A 1 130 ? 1.666   4.456   8.734   1.000 7.670  0 242 LEU   A O    1 ? 
ATOM   2135 C CB   . LEU   A 1 130 ? -1.011  4.429   7.342   1.000 6.576  0 242 LEU   A CB   1 ? 
ATOM   2136 C CG   . LEU   A 1 130 ? -1.236  2.933   7.162   1.000 6.761  0 242 LEU   A CG   1 ? 
ATOM   2137 C CD1  . LEU   A 1 130 ? -2.372  2.381   7.995   1.000 7.082  0 242 LEU   A CD1  1 ? 
ATOM   2138 C CD2  . LEU   A 1 130 ? -1.512  2.622   5.694   1.000 7.807  0 242 LEU   A CD2  1 ? 
ATOM   2139 H H    . LEU   A 1 130 ? -0.146  6.721   8.007   1.000 6.226  0 242 LEU   A H    1 c 
ATOM   2140 H HA   . LEU   A 1 130 ? -1.454  4.670   9.358   1.000 6.213  0 242 LEU   A HA   1 c 
ATOM   2141 H HB2  . LEU   A 1 130 ? -1.818  4.903   7.035   1.000 6.487  0 242 LEU   A HB2  1 c 
ATOM   2142 H HB3  . LEU   A 1 130 ? -0.267  4.703   6.758   1.000 6.467  0 242 LEU   A HB3  1 c 
ATOM   2143 H HG   . LEU   A 1 130 ? -0.405  2.461   7.424   1.000 6.896  0 242 LEU   A HG   1 c 
ATOM   2144 H HD11 . LEU   A 1 130 ? -2.166  2.489   8.938   1.000 6.987  0 242 LEU   A HD11 1 c 
ATOM   2145 H HD12 . LEU   A 1 130 ? -2.491  1.437   7.797   1.000 7.000  0 242 LEU   A HD12 1 c 
ATOM   2146 H HD13 . LEU   A 1 130 ? -3.191  2.861   7.786   1.000 7.020  0 242 LEU   A HD13 1 c 
ATOM   2147 H HD21 . LEU   A 1 130 ? -0.755  2.904   5.153   1.000 7.555  0 242 LEU   A HD21 1 c 
ATOM   2148 H HD22 . LEU   A 1 130 ? -2.309  3.098   5.405   1.000 7.590  0 242 LEU   A HD22 1 c 
ATOM   2149 H HD23 . LEU   A 1 130 ? -1.649  1.666   5.584   1.000 7.558  0 242 LEU   A HD23 1 c 
ATOM   2150 N N    . THR   A 1 131 ? 0.440   3.409   10.333  1.000 5.968  0 243 THR   A N    1 ? 
ATOM   2151 C CA   . THR   A 1 131 ? 1.563   2.726   10.942  1.000 7.421  0 243 THR   A CA   1 ? 
ATOM   2152 C C    . THR   A 1 131 ? 1.730   1.290   10.447  1.000 7.513  0 243 THR   A C    1 ? 
ATOM   2153 O O    . THR   A 1 131 ? 2.839   0.890   10.134  1.000 10.391 0 243 THR   A O    1 ? 
ATOM   2154 C CB   . THR   A 1 131 ? 1.387   2.734   12.468  1.000 8.826  0 243 THR   A CB   1 ? 
ATOM   2155 O OG1  . THR   A 1 131 ? 1.353   4.102   12.847  1.000 11.312 0 243 THR   A OG1  1 ? 
ATOM   2156 C CG2  . THR   A 1 131 ? 2.457   1.952   13.197  1.000 11.867 0 243 THR   A CG2  1 ? 
ATOM   2157 H H    . THR   A 1 131 ? -0.393  3.276   10.685  1.000 6.287  0 243 THR   A H    1 c 
ATOM   2158 H HA   . THR   A 1 131 ? 2.381   3.225   10.726  1.000 7.270  0 243 THR   A HA   1 c 
ATOM   2159 H HB   . THR   A 1 131 ? 0.517   2.324   12.686  1.000 9.139  0 243 THR   A HB   1 c 
ATOM   2160 H HG1  . THR   A 1 131 ? 2.089   4.464   12.631  0.000 11.383 0 243 THR   A HG1  1 c 
ATOM   2161 H HG21 . THR   A 1 131 ? 2.337   2.057   14.157  1.000 10.940 0 243 THR   A HG21 1 c 
ATOM   2162 H HG22 . THR   A 1 131 ? 3.334   2.286   12.943  1.000 10.945 0 243 THR   A HG22 1 c 
ATOM   2163 H HG23 . THR   A 1 131 ? 2.390   1.010   12.967  1.000 11.163 0 243 THR   A HG23 1 c 
ATOM   2164 N N    . SER   A 1 132 ? 0.651   0.533   10.306  1.000 6.868  0 244 SER   A N    1 ? 
ATOM   2165 C CA   . SER   A 1 132 ? 0.730   -0.872  9.960   1.000 8.477  0 244 SER   A CA   1 ? 
ATOM   2166 C C    . SER   A 1 132 ? -0.590  -1.314  9.364   1.000 6.751  0 244 SER   A C    1 ? 
ATOM   2167 O O    . SER   A 1 132 ? -1.652  -0.818  9.741   1.000 6.515  0 244 SER   A O    1 ? 
ATOM   2168 C CB   . SER   A 1 132 ? 1.047   -1.710  11.248  1.000 11.398 0 244 SER   A CB   1 ? 
ATOM   2169 O OG   . SER   A 1 132 ? -0.082  -1.833  12.028  1.000 20.360 0 244 SER   A OG   1 ? 
ATOM   2170 H H    . SER   A 1 132 ? -0.173  0.906   10.436  1.000 7.186  0 244 SER   A H    1 c 
ATOM   2171 H HA   . SER   A 1 132 ? 1.450   -1.004  9.294   1.000 8.027  0 244 SER   A HA   1 c 
ATOM   2172 H HB2  . SER   A 1 132 ? 1.366   -2.596  10.991  1.000 10.595 0 244 SER   A HB2  1 c 
ATOM   2173 H HB3  . SER   A 1 132 ? 1.747   -1.264  11.759  1.000 10.584 0 244 SER   A HB3  1 c 
ATOM   2174 H HG   . SER   A 1 132 ? -0.106  -2.392  12.683  0.000 17.734 0 244 SER   A HG   1 c 
ATOM   2175 N N    . ALA   A 1 133 ? -0.516  -2.310  8.479   1.000 6.558  0 245 ALA   A N    1 ? 
ATOM   2176 C CA   . ALA   A 1 133 ? -1.703  -2.951  7.946   1.000 7.043  0 245 ALA   A CA   1 ? 
ATOM   2177 C C    . ALA   A 1 133 ? -1.341  -4.411  7.725   1.000 7.074  0 245 ALA   A C    1 ? 
ATOM   2178 O O    . ALA   A 1 133 ? -0.379  -4.684  7.024   1.000 8.573  0 245 ALA   A O    1 ? 
ATOM   2179 C CB   . ALA   A 1 133 ? -2.092  -2.290  6.634   1.000 8.466  0 245 ALA   A CB   1 ? 
ATOM   2180 H H    . ALA   A 1 133 ? 0.304   -2.597  8.195   1.000 6.677  0 245 ALA   A H    1 c 
ATOM   2181 H HA   . ALA   A 1 133 ? -2.445  -2.885  8.605   1.000 7.054  0 245 ALA   A HA   1 c 
ATOM   2182 H HB1  . ALA   A 1 133 ? -2.250  -1.342  6.779   1.000 8.187  0 245 ALA   A HB1  1 c 
ATOM   2183 H HB2  . ALA   A 1 133 ? -1.375  -2.401  5.987   1.000 8.158  0 245 ALA   A HB2  1 c 
ATOM   2184 H HB3  . ALA   A 1 133 ? -2.903  -2.701  6.288   1.000 8.102  0 245 ALA   A HB3  1 c 
ATOM   2185 N N    . SER   A 1 134 ? -2.067  -5.322  8.370   1.000 6.901  0 246 SER   A N    1 ? 
ATOM   2186 C CA   . SER   A 1 134 ? -1.697  -6.730  8.323   1.000 7.556  0 246 SER   A CA   1 ? 
ATOM   2187 C C    . SER   A 1 134 ? -2.918  -7.592  8.552   1.000 6.994  0 246 SER   A C    1 ? 
ATOM   2188 O O    . SER   A 1 134 ? -4.005  -7.086  8.772   1.000 7.322  0 246 SER   A O    1 ? 
ATOM   2189 C CB   . SER   A 1 134 ? -0.640  -7.013  9.326   1.000 9.828  0 246 SER   A CB   1 ? 
ATOM   2190 O OG   . SER   A 1 134 ? -1.121  -6.846  10.638  1.000 12.864 0 246 SER   A OG   1 ? 
ATOM   2191 H H    . SER   A 1 134 ? -2.805  -5.069  8.847   1.000 7.066  0 246 SER   A H    1 c 
ATOM   2192 H HA   . SER   A 1 134 ? -1.340  -6.931  7.421   1.000 7.497  0 246 SER   A HA   1 c 
ATOM   2193 H HB2  . SER   A 1 134 ? -0.321  -7.927  9.211   1.000 9.456  0 246 SER   A HB2  1 c 
ATOM   2194 H HB3  . SER   A 1 134 ? 0.113   -6.410  9.179   1.000 9.495  0 246 SER   A HB3  1 c 
ATOM   2195 H HG   . SER   A 1 134 ? -0.487  -7.016  11.178  0.000 12.988 0 246 SER   A HG   1 c 
ATOM   2196 N N    . TYR   A 1 135 ? -2.696  -8.903  8.429   1.000 7.144  0 247 TYR   A N    1 ? 
ATOM   2197 C CA   . TYR   A 1 135 ? -3.789  -9.852  8.616   1.000 7.339  0 247 TYR   A CA   1 ? 
ATOM   2198 C C    . TYR   A 1 135 ? -3.299  -11.116 9.300   1.000 7.429  0 247 TYR   A C    1 ? 
ATOM   2199 O O    . TYR   A 1 135 ? -2.113  -11.443 9.271   1.000 8.307  0 247 TYR   A O    1 ? 
ATOM   2200 C CB   . TYR   A 1 135 ? -4.500  -10.137 7.282   1.000 7.564  0 247 TYR   A CB   1 ? 
ATOM   2201 C CG   . TYR   A 1 135 ? -3.575  -10.393 6.120   1.000 7.297  0 247 TYR   A CG   1 ? 
ATOM   2202 C CD1  . TYR   A 1 135 ? -2.859  -11.562 6.001   1.000 8.236  0 247 TYR   A CD1  1 ? 
ATOM   2203 C CD2  . TYR   A 1 135 ? -3.401  -9.458  5.139   1.000 7.888  0 247 TYR   A CD2  1 ? 
ATOM   2204 C CE1  . TYR   A 1 135 ? -1.977  -11.779 4.959   1.000 8.179  0 247 TYR   A CE1  1 ? 
ATOM   2205 C CE2  . TYR   A 1 135 ? -2.496  -9.637  4.099   1.000 8.340  0 247 TYR   A CE2  1 ? 
ATOM   2206 C CZ   . TYR   A 1 135 ? -1.785  -10.809 4.017   1.000 8.431  0 247 TYR   A CZ   1 ? 
ATOM   2207 O OH   . TYR   A 1 135 ? -0.933  -11.022 2.979   1.000 9.541  0 247 TYR   A OH   1 ? 
ATOM   2208 H H    . TYR   A 1 135 ? -1.864  -9.215  8.215   1.000 7.140  0 247 TYR   A H    1 c 
ATOM   2209 H HA   . TYR   A 1 135 ? -4.449  -9.426  9.220   1.000 7.267  0 247 TYR   A HA   1 c 
ATOM   2210 H HB2  . TYR   A 1 135 ? -5.082  -10.921 7.402   1.000 7.382  0 247 TYR   A HB2  1 c 
ATOM   2211 H HB3  . TYR   A 1 135 ? -5.076  -9.370  7.067   1.000 7.395  0 247 TYR   A HB3  1 c 
ATOM   2212 H HD1  . TYR   A 1 135 ? -2.957  -12.229 6.662   1.000 7.892  0 247 TYR   A HD1  1 c 
ATOM   2213 H HD2  . TYR   A 1 135 ? -3.857  -8.634  5.207   1.000 7.734  0 247 TYR   A HD2  1 c 
ATOM   2214 H HE1  . TYR   A 1 135 ? -1.493  -12.586 4.910   1.000 8.147  0 247 TYR   A HE1  1 c 
ATOM   2215 H HE2  . TYR   A 1 135 ? -2.391  -8.972  3.441   1.000 8.150  0 247 TYR   A HE2  1 c 
ATOM   2216 H HH   . TYR   A 1 135 ? -1.351  -11.380 2.322   0.000 9.633  0 247 TYR   A HH   1 c 
ATOM   2217 N N    . THR   A 1 136 ? -4.255  -11.849 9.865   1.000 7.354  0 248 THR   A N    1 ? 
ATOM   2218 C CA   . THR   A 1 136 ? -3.974  -13.139 10.451  1.000 8.115  0 248 THR   A CA   1 ? 
ATOM   2219 C C    . THR   A 1 136 ? -5.269  -13.944 10.429  1.000 7.842  0 248 THR   A C    1 ? 
ATOM   2220 O O    . THR   A 1 136 ? -6.321  -13.406 10.117  1.000 8.907  0 248 THR   A O    1 ? 
ATOM   2221 C CB   . THR   A 1 136 ? -3.441  -12.992 11.873  1.000 10.817 0 248 THR   A CB   1 ? 
ATOM   2222 O OG1  . THR   A 1 136 ? -2.920  -14.255 12.270  1.000 14.018 0 248 THR   A OG1  1 ? 
ATOM   2223 C CG2  . THR   A 1 136 ? -4.481  -12.484 12.852  1.000 11.903 0 248 THR   A CG2  1 ? 
ATOM   2224 H H    . THR   A 1 136 ? -5.112  -11.531 9.887   1.000 7.433  0 248 THR   A H    1 c 
ATOM   2225 H HA   . THR   A 1 136 ? -3.301  -13.598 9.902   1.000 8.114  0 248 THR   A HA   1 c 
ATOM   2226 H HB   . THR   A 1 136 ? -2.701  -12.338 11.861  1.000 10.564 0 248 THR   A HB   1 c 
ATOM   2227 H HG1  . THR   A 1 136 ? -3.535  -14.856 12.244  0.000 14.144 0 248 THR   A HG1  1 c 
ATOM   2228 H HG21 . THR   A 1 136 ? -4.062  -12.318 13.714  1.000 11.577 0 248 THR   A HG21 1 c 
ATOM   2229 H HG22 . THR   A 1 136 ? -5.183  -13.148 12.958  1.000 11.671 0 248 THR   A HG22 1 c 
ATOM   2230 H HG23 . THR   A 1 136 ? -4.866  -11.656 12.517  1.000 11.643 0 248 THR   A HG23 1 c 
ATOM   2231 N N    . MET   A 1 137 ? -5.170  -15.244 10.698  1.000 8.409  0 249 MET   A N    1 ? 
ATOM   2232 C CA   . MET   A 1 137 ? -6.344  -16.113 10.862  1.000 9.402  0 249 MET   A CA   1 ? 
ATOM   2233 C C    . MET   A 1 137 ? -6.576  -16.313 12.363  1.000 11.258 0 249 MET   A C    1 ? 
ATOM   2234 O O    . MET   A 1 137 ? -5.667  -16.717 13.083  1.000 14.382 0 249 MET   A O    1 ? 
ATOM   2235 C CB   . MET   A 1 137 ? -6.170  -17.453 10.159  1.000 10.605 0 249 MET   A CB   1 ? 
ATOM   2236 C CG   . MET   A 1 137 ? -5.860  -17.353 8.686   1.000 11.421 0 249 MET   A CG   1 ? 
ATOM   2237 S SD   . MET   A 1 137 ? -7.205  -16.569 7.782   1.000 12.874 0 249 MET   A SD   1 ? 
ATOM   2238 C CE   . MET   A 1 137 ? -6.535  -16.607 6.111   1.000 14.215 0 249 MET   A CE   1 ? 
ATOM   2239 H H    . MET   A 1 137 ? -4.339  -15.614 10.785  1.000 8.342  0 249 MET   A H    1 c 
ATOM   2240 H HA   . MET   A 1 137 ? -7.131  -15.648 10.485  1.000 9.580  0 249 MET   A HA   1 c 
ATOM   2241 H HB2  . MET   A 1 137 ? -5.445  -17.944 10.602  1.000 10.443 0 249 MET   A HB2  1 c 
ATOM   2242 H HB3  . MET   A 1 137 ? -6.994  -17.973 10.274  1.000 10.419 0 249 MET   A HB3  1 c 
ATOM   2243 H HG2  . MET   A 1 137 ? -5.043  -16.832 8.557   1.000 11.320 0 249 MET   A HG2  1 c 
ATOM   2244 H HG3  . MET   A 1 137 ? -5.711  -18.248 8.322   1.000 11.194 0 249 MET   A HG3  1 c 
ATOM   2245 H HE1  . MET   A 1 137 ? -7.175  -16.207 5.495   1.000 13.943 0 249 MET   A HE1  1 c 
ATOM   2246 H HE2  . MET   A 1 137 ? -5.700  -16.104 6.084   1.000 13.881 0 249 MET   A HE2  1 c 
ATOM   2247 H HE3  . MET   A 1 137 ? -6.366  -17.531 5.849   1.000 14.188 0 249 MET   A HE3  1 c 
ATOM   2248 N N    . ILE   A 1 138 ? -7.821  -16.165 12.827  1.000 11.259 0 250 ILE   A N    1 ? 
ATOM   2249 C CA   . ILE   A 1 138 ? -8.132  -16.452 14.223  1.000 13.634 0 250 ILE   A CA   1 ? 
ATOM   2250 C C    . ILE   A 1 138 ? -8.512  -17.926 14.444  1.000 16.401 0 250 ILE   A C    1 ? 
ATOM   2251 O O    . ILE   A 1 138 ? -8.635  -18.324 15.633  1.000 18.384 0 250 ILE   A O    1 ? 
ATOM   2252 C CB   . ILE   A 1 138 ? -9.251  -15.540 14.748  1.000 14.314 0 250 ILE   A CB   1 ? 
ATOM   2253 C CG1  . ILE   A 1 138 ? -10.602 -15.922 14.113  1.000 14.919 0 250 ILE   A CG1  1 ? 
ATOM   2254 C CG2  . ILE   A 1 138 ? -8.897  -14.076 14.550  1.000 16.681 0 250 ILE   A CG2  1 ? 
ATOM   2255 C CD1  . ILE   A 1 138 ? -11.836 -15.386 14.805  1.000 17.073 0 250 ILE   A CD1  1 ? 
ATOM   2256 O OXT  . ILE   A 1 138 ? -8.697  -18.615 13.426  1.000 22.115 0 250 ILE   A OXT  1 ? 
ATOM   2257 H H    . ILE   A 1 138 ? -8.487  -15.882 12.269  1.000 11.622 0 250 ILE   A H    1 c 
ATOM   2258 H HA   . ILE   A 1 138 ? -7.332  -16.267 14.753  1.000 13.399 0 250 ILE   A HA   1 c 
ATOM   2259 H HB   . ILE   A 1 138 ? -9.328  -15.697 15.710  1.000 14.554 0 250 ILE   A HB   1 c 
ATOM   2260 H HG12 . ILE   A 1 138 ? -10.607 -15.602 13.188  1.000 14.974 0 250 ILE   A HG12 1 c 
ATOM   2261 H HG13 . ILE   A 1 138 ? -10.669 -16.898 14.085  1.000 15.212 0 250 ILE   A HG13 1 c 
ATOM   2262 H HG21 . ILE   A 1 138 ? -9.594  -13.518 14.933  1.000 16.029 0 250 ILE   A HG21 1 c 
ATOM   2263 H HG22 . ILE   A 1 138 ? -8.816  -13.884 13.601  1.000 16.032 0 250 ILE   A HG22 1 c 
ATOM   2264 H HG23 . ILE   A 1 138 ? -8.052  -13.883 14.991  1.000 16.139 0 250 ILE   A HG23 1 c 
ATOM   2265 H HD11 . ILE   A 1 138 ? -11.865 -15.717 15.723  1.000 16.547 0 250 ILE   A HD11 1 c 
ATOM   2266 H HD12 . ILE   A 1 138 ? -12.634 -15.684 14.328  1.000 16.563 0 250 ILE   A HD12 1 c 
ATOM   2267 H HD13 . ILE   A 1 138 ? -11.809 -14.411 14.813  1.000 16.547 0 250 ILE   A HD13 1 c 
HETATM 2268 N N1   A A1H5A B 2 .   ? -23.769 8.246   -3.575  0.700 10.944 0 301 A1H5A A N1   1 ? 
HETATM 2269 N N1   B A1H5A B 2 .   ? -23.826 8.495   -3.353  0.300 8.567  0 301 A1H5A A N1   1 ? 
HETATM 2270 N N3   A A1H5A B 2 .   ? -22.138 8.832   -4.894  0.700 13.558 0 301 A1H5A A N3   1 ? 
HETATM 2271 N N3   B A1H5A B 2 .   ? -22.515 10.115  -3.925  0.300 8.937  0 301 A1H5A A N3   1 ? 
HETATM 2272 C C4   A A1H5A B 2 .   ? -25.010 6.380   -2.700  0.700 11.888 0 301 A1H5A A C4   1 ? 
HETATM 2273 C C4   B A1H5A B 2 .   ? -24.822 6.421   -2.610  0.300 9.665  0 301 A1H5A A C4   1 ? 
HETATM 2274 C C5   A A1H5A B 2 .   ? -21.647 8.779   -3.640  0.700 10.300 0 301 A1H5A A C5   1 ? 
HETATM 2275 C C5   B A1H5A B 2 .   ? -21.757 9.091   -3.439  0.300 8.088  0 301 A1H5A A C5   1 ? 
HETATM 2276 C C6   A A1H5A B 2 .   ? -20.221 9.087   -3.397  0.700 8.984  0 301 A1H5A A C6   1 ? 
HETATM 2277 C C6   B A1H5A B 2 .   ? -20.293 9.189   -3.378  0.300 8.051  0 301 A1H5A A C6   1 ? 
HETATM 2278 C C7   . A1H5A B 2 .   ? -19.822 9.304   -1.938  1.000 7.780  0 301 A1H5A A C7   1 ? 
HETATM 2279 C C8   . A1H5A B 2 .   ? -18.317 9.463   -1.749  1.000 7.827  0 301 A1H5A A C8   1 ? 
HETATM 2280 C C10  . A1H5A B 2 .   ? -14.130 8.577   -1.114  1.000 8.016  0 301 A1H5A A C10  1 ? 
HETATM 2281 C C13  . A1H5A B 2 .   ? -10.603 9.221   -0.275  1.000 11.496 0 301 A1H5A A C13  1 ? 
HETATM 2282 C C15  . A1H5A B 2 .   ? -11.816 9.072   1.746   1.000 8.177  0 301 A1H5A A C15  1 ? 
HETATM 2283 C C17  . A1H5A B 2 .   ? -15.441 8.692   -0.735  1.000 7.148  0 301 A1H5A A C17  1 ? 
HETATM 2284 C C20  . A1H5A B 2 .   ? -20.293 5.975   -0.377  1.000 6.143  0 301 A1H5A A C20  1 ? 
HETATM 2285 C C21  . A1H5A B 2 .   ? -18.172 7.109   -1.071  1.000 6.139  0 301 A1H5A A C21  1 ? 
HETATM 2286 C C22  A A1H5A B 2 .   ? -22.660 8.343   -2.852  0.700 10.194 0 301 A1H5A A C22  1 ? 
HETATM 2287 C C22  B A1H5A B 2 .   ? -22.573 8.044   -3.097  0.300 7.857  0 301 A1H5A A C22  1 ? 
HETATM 2288 C C1   A A1H5A B 2 .   ? -25.548 8.629   -1.895  0.700 13.287 0 301 A1H5A A C1   1 ? 
HETATM 2289 C C1   B A1H5A B 2 .   ? -25.917 8.567   -2.138  0.300 10.366 0 301 A1H5A A C1   1 ? 
HETATM 2290 C C2   A A1H5A B 2 .   ? -25.092 7.828   -3.127  0.700 11.742 0 301 A1H5A A C2   1 ? 
HETATM 2291 C C2   B A1H5A B 2 .   ? -25.083 7.797   -3.155  0.300 9.568  0 301 A1H5A A C2   1 ? 
HETATM 2292 C C3   A A1H5A B 2 .   ? -26.124 8.124   -4.210  0.700 13.222 0 301 A1H5A A C3   1 ? 
HETATM 2293 C C3   B A1H5A B 2 .   ? -25.848 7.691   -4.460  0.300 10.541 0 301 A1H5A A C3   1 ? 
HETATM 2294 N N2   A A1H5A B 2 .   ? -23.435 8.480   -4.853  0.700 13.367 0 301 A1H5A A N2   1 ? 
HETATM 2295 N N2   B A1H5A B 2 .   ? -23.792 9.736   -3.869  0.300 8.753  0 301 A1H5A A N2   1 ? 
HETATM 2296 C C9   . A1H5A B 2 .   ? -17.588 8.151   -1.986  1.000 7.014  0 301 A1H5A A C9   1 ? 
HETATM 2297 N N4   . A1H5A B 2 .   ? -16.151 8.308   -1.801  1.000 7.714  0 301 A1H5A A N4   1 ? 
HETATM 2298 N N5   . A1H5A B 2 .   ? -15.335 7.955   -2.805  1.000 9.419  0 301 A1H5A A N5   1 ? 
HETATM 2299 N N6   . A1H5A B 2 .   ? -14.093 8.114   -2.367  1.000 10.050 0 301 A1H5A A N6   1 ? 
HETATM 2300 C C11  . A1H5A B 2 .   ? -12.941 8.842   -0.323  1.000 8.299  0 301 A1H5A A C11  1 ? 
HETATM 2301 C C12  . A1H5A B 2 .   ? -11.755 8.992   -1.003  1.000 10.477 0 301 A1H5A A C12  1 ? 
HETATM 2302 F F1   . A1H5A B 2 .   ? -9.407  9.376   -0.878  1.000 15.298 0 301 A1H5A A F1   1 ? 
HETATM 2303 C C14  . A1H5A B 2 .   ? -12.992 8.845   1.048   1.000 7.434  0 301 A1H5A A C14  1 ? 
HETATM 2304 F F2   . A1H5A B 2 .   ? -11.839 9.092   3.086   1.000 9.056  0 301 A1H5A A F2   1 ? 
HETATM 2305 C C16  . A1H5A B 2 .   ? -10.636 9.231   1.103   1.000 9.791  0 301 A1H5A A C16  1 ? 
HETATM 2306 F F3   . A1H5A B 2 .   ? -9.515  9.472   1.759   1.000 18.045 0 301 A1H5A A F3   1 ? 
HETATM 2307 O O1   . A1H5A B 2 .   ? -17.785 10.426  -2.680  1.000 10.245 0 301 A1H5A A O1   1 ? 
HETATM 2308 C C18  A A1H5A B 2 .   ? -17.997 11.732  -2.170  0.700 12.074 0 301 A1H5A A C18  1 ? 
HETATM 2309 C C18  B A1H5A B 2 .   ? -17.758 11.804  -2.361  0.300 11.115 0 301 A1H5A A C18  1 ? 
HETATM 2310 O O2   . A1H5A B 2 .   ? -20.285 8.257   -1.088  1.000 6.203  0 301 A1H5A A O2   1 ? 
HETATM 2311 C C19  . A1H5A B 2 .   ? -19.682 7.002   -1.322  1.000 5.956  0 301 A1H5A A C19  1 ? 
HETATM 2312 O O3   . A1H5A B 2 .   ? -21.682 5.852   -0.668  1.000 6.527  0 301 A1H5A A O3   1 ? 
HETATM 2313 O O4   . A1H5A B 2 .   ? -17.910 7.442   0.283   1.000 5.856  0 301 A1H5A A O4   1 ? 
HETATM 2314 H H8   A A1H5A B 2 .   ? -25.600 5.745   -3.366  0.700 11.838 0 301 A1H5A A H8   1 c 
HETATM 2315 H H8   B A1H5A B 2 .   ? -25.097 5.666   -3.351  0.300 9.610  0 301 A1H5A A H8   1 c 
HETATM 2316 H H9   A A1H5A B 2 .   ? -25.392 6.217   -1.690  0.700 11.792 0 301 A1H5A A H9   1 c 
HETATM 2317 H H9   B A1H5A B 2 .   ? -25.416 6.256   -1.707  0.300 9.603  0 301 A1H5A A H9   1 c 
HETATM 2318 H H7   A A1H5A B 2 .   ? -23.982 6.009   -2.730  0.700 11.821 0 301 A1H5A A H7   1 c 
HETATM 2319 H H7   B A1H5A B 2 .   ? -23.764 6.301   -2.363  0.300 9.639  0 301 A1H5A A H7   1 c 
HETATM 2320 H H10  A A1H5A B 2 .   ? -19.990 10.000  -3.952  0.700 8.969  0 301 A1H5A A H10  1 c 
HETATM 2321 H H10  B A1H5A B 2 .   ? -19.983 10.074  -3.940  0.300 8.046  0 301 A1H5A A H10  1 c 
HETATM 2322 H H11  A A1H5A B 2 .   ? -19.620 8.299   -3.855  0.700 8.891  0 301 A1H5A A H11  1 c 
HETATM 2323 H H11  B A1H5A B 2 .   ? -19.841 8.322   -3.865  0.300 8.007  0 301 A1H5A A H11  1 c 
HETATM 2324 H H12  . A1H5A B 2 .   ? -20.291 10.203  -1.538  1.000 7.692  0 301 A1H5A A H12  1 c 
HETATM 2325 H H13  . A1H5A B 2 .   ? -18.116 9.804   -0.731  1.000 7.942  0 301 A1H5A A H13  1 c 
HETATM 2326 H H17  . A1H5A B 2 .   ? -15.906 8.986   0.192   1.000 7.463  0 301 A1H5A A H17  1 c 
HETATM 2327 H H22  . A1H5A B 2 .   ? -20.189 6.286   0.665   1.000 6.168  0 301 A1H5A A H22  1 c 
HETATM 2328 H H23  . A1H5A B 2 .   ? -19.820 4.999   -0.508  1.000 6.155  0 301 A1H5A A H23  1 c 
HETATM 2329 H H25  . A1H5A B 2 .   ? -17.702 6.144   -1.275  1.000 6.198  0 301 A1H5A A H25  1 c 
HETATM 2330 H H27  A A1H5A B 2 .   ? -22.710 8.205   -1.783  0.700 10.255 0 301 A1H5A A H27  1 c 
HETATM 2331 H H27  B A1H5A B 2 .   ? -22.387 7.071   -2.671  0.300 8.067  0 301 A1H5A A H27  1 c 
HETATM 2332 H H3   A A1H5A B 2 .   ? -26.597 8.938   -1.952  0.700 13.002 0 301 A1H5A A H3   1 c 
HETATM 2333 H H3   B A1H5A B 2 .   ? -26.845 8.923   -2.593  0.300 10.219 0 301 A1H5A A H3   1 c 
HETATM 2334 H H1   A A1H5A B 2 .   ? -24.946 9.539   -1.799  0.700 12.826 0 301 A1H5A A H1   1 c 
HETATM 2335 H H1   B A1H5A B 2 .   ? -25.356 9.428   -1.767  0.300 10.164 0 301 A1H5A A H1   1 c 
HETATM 2336 H H2   A A1H5A B 2 .   ? -25.430 8.066   -0.965  0.700 13.022 0 301 A1H5A A H2   1 c 
HETATM 2337 H H2   B A1H5A B 2 .   ? -26.167 7.926   -1.288  0.300 10.255 0 301 A1H5A A H2   1 c 
HETATM 2338 H H6   A A1H5A B 2 .   ? -26.450 7.197   -4.691  0.700 12.959 0 301 A1H5A A H6   1 c 
HETATM 2339 H H6   B A1H5A B 2 .   ? -25.890 6.652   -4.798  0.300 10.419 0 301 A1H5A A H6   1 c 
HETATM 2340 H H4   A A1H5A B 2 .   ? -25.728 8.772   -4.998  0.700 12.844 0 301 A1H5A A H4   1 c 
HETATM 2341 H H4   B A1H5A B 2 .   ? -25.364 8.293   -5.232  0.300 10.373 0 301 A1H5A A H4   1 c 
HETATM 2342 H H5   A A1H5A B 2 .   ? -27.020 8.615   -3.820  0.700 12.873 0 301 A1H5A A H5   1 c 
HETATM 2343 H H5   B A1H5A B 2 .   ? -26.871 8.056   -4.328  0.300 10.358 0 301 A1H5A A H5   1 c 
HETATM 2344 H H14  . A1H5A B 2 .   ? -17.702 7.831   -3.023  1.000 7.015  0 301 A1H5A A H14  1 c 
HETATM 2345 H H15  . A1H5A B 2 .   ? -11.712 8.968   -2.086  1.000 10.027 0 301 A1H5A A H15  1 c 
HETATM 2346 H H16  . A1H5A B 2 .   ? -13.927 8.707   1.579   1.000 7.798  0 301 A1H5A A H16  1 c 
HETATM 2347 H H19  A A1H5A B 2 .   ? -17.563 12.452  -2.867  0.700 11.523 0 301 A1H5A A H19  1 c 
HETATM 2348 H H19  B A1H5A B 2 .   ? -17.430 12.366  -3.241  0.300 10.929 0 301 A1H5A A H19  1 c 
HETATM 2349 H H20  A A1H5A B 2 .   ? -17.504 11.841  -1.200  0.700 11.594 0 301 A1H5A A H20  1 c 
HETATM 2350 H H20  B A1H5A B 2 .   ? -17.059 11.969  -1.537  0.300 10.956 0 301 A1H5A A H20  1 c 
HETATM 2351 H H18  A A1H5A B 2 .   ? -19.066 11.938  -2.074  0.700 11.432 0 301 A1H5A A H18  1 c 
HETATM 2352 H H18  B A1H5A B 2 .   ? -18.760 12.128  -2.069  0.300 10.872 0 301 A1H5A A H18  1 c 
HETATM 2353 H H21  . A1H5A B 2 .   ? -19.874 6.672   -2.345  1.000 6.032  0 301 A1H5A A H21  1 c 
HETATM 2354 H H24  . A1H5A B 2 .   ? -22.070 6.734   -0.537  0.000 6.630  0 301 A1H5A A H24  1 c 
HETATM 2355 H H26  . A1H5A B 2 .   ? -17.419 8.277   0.274   0.000 6.019  0 301 A1H5A A H26  1 c 
HETATM 2356 S S    . SCN   C 3 .   ? -16.071 11.119  2.034   1.000 14.805 0 302 SCN   A S    1 ? 
HETATM 2357 C C    . SCN   C 3 .   ? -15.328 11.984  0.955   1.000 18.622 0 302 SCN   A C    1 ? 
HETATM 2358 N N    . SCN   C 3 .   ? -14.733 12.553  0.175   1.000 23.866 0 302 SCN   A N    1 ? 
HETATM 2359 O O    . HOH   D 4 .   ? -18.586 18.693  5.218   1.000 58.086 0 401 HOH   A O    1 ? 
HETATM 2360 O O    . HOH   D 4 .   ? 1.390   -1.481  -1.212  1.000 37.413 0 402 HOH   A O    1 ? 
HETATM 2361 O O    . HOH   D 4 .   ? -11.498 -16.475 -9.830  1.000 30.953 0 403 HOH   A O    1 ? 
HETATM 2362 O O    . HOH   D 4 .   ? -10.865 19.601  9.248   1.000 22.484 0 404 HOH   A O    1 ? 
HETATM 2363 O O    . HOH   D 4 .   ? -19.932 -12.248 -5.734  1.000 55.604 0 405 HOH   A O    1 ? 
HETATM 2364 O O    . HOH   D 4 .   ? -9.136  15.163  19.465  1.000 28.895 0 406 HOH   A O    1 ? 
HETATM 2365 O O    . HOH   D 4 .   ? -3.706  -15.744 14.421  1.000 44.598 0 407 HOH   A O    1 ? 
HETATM 2366 O O    . HOH   D 4 .   ? -9.249  3.612   0.554   1.000 10.396 0 408 HOH   A O    1 ? 
HETATM 2367 O O    . HOH   D 4 .   ? -15.909 9.124   20.336  1.000 90.754 0 409 HOH   A O    1 ? 
HETATM 2368 O O    . HOH   D 4 .   ? -1.368  -4.073  11.629  1.000 11.874 0 410 HOH   A O    1 ? 
HETATM 2369 O O    . HOH   D 4 .   ? -12.359 1.418   22.771  1.000 29.561 0 411 HOH   A O    1 ? 
HETATM 2370 O O    . HOH   D 4 .   ? -4.650  13.765  4.683   1.000 24.647 0 412 HOH   A O    1 ? 
HETATM 2371 O O    . HOH   D 4 .   ? -19.183 -5.892  -11.393 1.000 12.959 0 413 HOH   A O    1 ? 
HETATM 2372 O O    . HOH   D 4 .   ? -22.824 10.204  0.669   1.000 10.886 0 414 HOH   A O    1 ? 
HETATM 2373 O O    . HOH   D 4 .   ? 3.462   5.458   11.963  1.000 38.877 0 415 HOH   A O    1 ? 
HETATM 2374 O O    . HOH   D 4 .   ? 1.278   7.628   6.922   1.000 15.133 0 416 HOH   A O    1 ? 
HETATM 2375 O O    . HOH   D 4 .   ? -23.297 -1.666  8.155   1.000 12.156 0 417 HOH   A O    1 ? 
HETATM 2376 O O    . HOH   D 4 .   ? -25.057 -11.327 9.160   1.000 15.185 0 418 HOH   A O    1 ? 
HETATM 2377 O O    . HOH   D 4 .   ? -24.647 1.325   16.938  1.000 30.973 0 419 HOH   A O    1 ? 
HETATM 2378 O O    . HOH   D 4 .   ? -24.553 13.923  8.497   1.000 14.544 0 420 HOH   A O    1 ? 
HETATM 2379 O O    . HOH   D 4 .   ? -29.355 19.559  8.935   1.000 47.328 0 421 HOH   A O    1 ? 
HETATM 2380 O O    . HOH   D 4 .   ? -12.371 5.548   -1.104  1.000 19.766 0 422 HOH   A O    1 ? 
HETATM 2381 O O    . HOH   D 4 .   ? -26.633 -10.188 -0.901  1.000 22.704 0 423 HOH   A O    1 ? 
HETATM 2382 O O    . HOH   D 4 .   ? -7.088  23.390  13.491  1.000 40.854 0 424 HOH   A O    1 ? 
HETATM 2383 O O    . HOH   D 4 .   ? -25.364 21.707  10.075  1.000 17.193 0 425 HOH   A O    1 ? 
HETATM 2384 O O    . HOH   D 4 .   ? 1.857   -3.699  5.187   1.000 25.128 0 426 HOH   A O    1 ? 
HETATM 2385 O O    . HOH   D 4 .   ? -3.635  11.460  3.423   1.000 25.398 0 427 HOH   A O    1 ? 
HETATM 2386 O O    . HOH   D 4 .   ? -20.628 3.000   -14.377 1.000 36.453 0 428 HOH   A O    1 ? 
HETATM 2387 O O    . HOH   D 4 .   ? -0.162  10.026  6.019   1.000 24.379 0 429 HOH   A O    1 ? 
HETATM 2388 O O    . HOH   D 4 .   ? -4.857  -8.974  12.151  1.000 11.466 0 430 HOH   A O    1 ? 
HETATM 2389 O O    . HOH   D 4 .   ? -22.128 2.508   8.664   1.000 9.773  0 431 HOH   A O    1 ? 
HETATM 2390 O O    . HOH   D 4 .   ? -21.558 10.906  15.672  1.000 11.288 0 432 HOH   A O    1 ? 
HETATM 2391 O O    . HOH   D 4 .   ? -15.152 -14.712 14.989  1.000 15.754 0 433 HOH   A O    1 ? 
HETATM 2392 O O    . HOH   D 4 .   ? -12.519 4.714   20.395  1.000 17.956 0 434 HOH   A O    1 ? 
HETATM 2393 O O    . HOH   D 4 .   ? -24.260 11.171  12.522  1.000 14.475 0 435 HOH   A O    1 ? 
HETATM 2394 O O    . HOH   D 4 .   ? 0.510   5.621   14.977  1.000 16.775 0 436 HOH   A O    1 ? 
HETATM 2395 O O    . HOH   D 4 .   ? -25.389 -5.069  6.536   1.000 8.083  0 437 HOH   A O    1 ? 
HETATM 2396 O O    . HOH   D 4 .   ? -2.174  -8.971  12.007  1.000 15.821 0 438 HOH   A O    1 ? 
HETATM 2397 O O    . HOH   D 4 .   ? -14.883 14.410  20.965  1.000 10.235 0 439 HOH   A O    1 ? 
HETATM 2398 O O    . HOH   D 4 .   ? -24.687 -5.047  3.041   1.000 7.143  0 440 HOH   A O    1 ? 
HETATM 2399 O O    . HOH   D 4 .   ? 0.152   6.398   -2.561  1.000 22.119 0 441 HOH   A O    1 ? 
HETATM 2400 O O    . HOH   D 4 .   ? -0.089  -8.520  1.672   1.000 11.905 0 442 HOH   A O    1 ? 
HETATM 2401 O O    . HOH   D 4 .   ? -17.445 10.349  -5.407  1.000 30.320 0 443 HOH   A O    1 ? 
HETATM 2402 O O    . HOH   D 4 .   ? -8.332  12.963  2.701   1.000 20.558 0 444 HOH   A O    1 ? 
HETATM 2403 O O    . HOH   D 4 .   ? -4.598  -6.099  18.431  1.000 26.035 0 445 HOH   A O    1 ? 
HETATM 2404 O O    . HOH   D 4 .   ? -17.943 -7.583  -7.447  1.000 9.007  0 446 HOH   A O    1 ? 
HETATM 2405 O O    . HOH   D 4 .   ? -12.041 14.575  17.634  1.000 16.097 0 447 HOH   A O    1 ? 
HETATM 2406 O O    . HOH   D 4 .   ? -15.925 -2.236  -11.866 1.000 9.651  0 448 HOH   A O    1 ? 
HETATM 2407 O O    . HOH   D 4 .   ? -29.052 4.444   2.215   1.000 14.498 0 449 HOH   A O    1 ? 
HETATM 2408 O O    . HOH   D 4 .   ? 0.552   8.303   17.604  1.000 16.864 0 450 HOH   A O    1 ? 
HETATM 2409 O O    . HOH   D 4 .   ? -3.677  -8.767  -4.703  1.000 9.811  0 451 HOH   A O    1 ? 
HETATM 2410 O O    . HOH   D 4 .   ? -19.842 -6.964  -0.061  1.000 5.157  0 452 HOH   A O    1 ? 
HETATM 2411 O O    . HOH   D 4 .   ? -8.345  -4.351  -6.697  1.000 17.881 0 453 HOH   A O    1 ? 
HETATM 2412 O O    . HOH   D 4 .   ? -11.706 2.393   -5.774  1.000 35.000 0 454 HOH   A O    1 ? 
HETATM 2413 O O    . HOH   D 4 .   ? -13.014 -17.434 0.469   1.000 15.442 0 455 HOH   A O    1 ? 
HETATM 2414 O O    . HOH   D 4 .   ? -22.497 13.896  2.133   1.000 40.046 0 456 HOH   A O    1 ? 
HETATM 2415 O O    . HOH   D 4 .   ? -18.657 17.315  12.961  1.000 21.098 0 457 HOH   A O    1 ? 
HETATM 2416 O O    . HOH   D 4 .   ? -12.299 6.278   -3.477  1.000 35.604 0 458 HOH   A O    1 ? 
HETATM 2417 O O    . HOH   D 4 .   ? -8.878  16.398  4.380   1.000 23.442 0 459 HOH   A O    1 ? 
HETATM 2418 O O    . HOH   D 4 .   ? -27.533 7.952   1.132   1.000 20.257 0 460 HOH   A O    1 ? 
HETATM 2419 O O    . HOH   D 4 .   ? 4.240   -1.249  8.973   1.000 26.829 0 461 HOH   A O    1 ? 
HETATM 2420 O O    . HOH   D 4 .   ? -9.449  -18.404 8.102   1.000 25.995 0 462 HOH   A O    1 ? 
HETATM 2421 O O    . HOH   D 4 .   ? -18.214 -8.985  0.592   1.000 5.162  0 463 HOH   A O    1 ? 
HETATM 2422 O O    . HOH   D 4 .   ? -10.869 8.596   22.649  1.000 9.838  0 464 HOH   A O    1 ? 
HETATM 2423 O O    . HOH   D 4 .   ? -31.903 -1.884  2.731   1.000 36.236 0 465 HOH   A O    1 ? 
HETATM 2424 O O    . HOH   D 4 .   ? -19.998 -17.810 3.736   1.000 10.016 0 466 HOH   A O    1 ? 
HETATM 2425 O O    . HOH   D 4 .   ? -22.846 -8.252  -5.855  1.000 23.113 0 467 HOH   A O    1 ? 
HETATM 2426 O O    . HOH   D 4 .   ? -7.720  -0.668  22.006  1.000 12.609 0 468 HOH   A O    1 ? 
HETATM 2427 O O    . HOH   D 4 .   ? 5.372   1.955   10.786  1.000 31.706 0 469 HOH   A O    1 ? 
HETATM 2428 O O    . HOH   D 4 .   ? 1.249   -6.746  5.988   1.000 25.915 0 470 HOH   A O    1 ? 
HETATM 2429 O O    . HOH   D 4 .   ? -16.922 -0.533  -9.149  1.000 8.564  0 471 HOH   A O    1 ? 
HETATM 2430 O O    . HOH   D 4 .   ? -15.122 -14.624 -11.217 1.000 16.386 0 472 HOH   A O    1 ? 
HETATM 2431 O O    . HOH   D 4 .   ? -25.687 -9.040  -3.310  1.000 13.656 0 473 HOH   A O    1 ? 
HETATM 2432 O O    . HOH   D 4 .   ? -16.410 14.853  6.664   1.000 13.212 0 474 HOH   A O    1 ? 
HETATM 2433 O O    . HOH   D 4 .   ? -19.262 -1.846  21.400  1.000 27.821 0 475 HOH   A O    1 ? 
HETATM 2434 O O    . HOH   D 4 .   ? -24.129 19.836  14.719  1.000 19.665 0 476 HOH   A O    1 ? 
HETATM 2435 O O    . HOH   D 4 .   ? -23.594 -4.555  14.860  1.000 24.403 0 477 HOH   A O    1 ? 
HETATM 2436 O O    . HOH   D 4 .   ? -25.683 -5.450  9.182   1.000 21.614 0 478 HOH   A O    1 ? 
HETATM 2437 O O    . HOH   D 4 .   ? -26.633 5.387   14.518  1.000 27.979 0 479 HOH   A O    1 ? 
HETATM 2438 O O    . HOH   D 4 .   ? -26.015 -10.344 2.324   1.000 13.386 0 480 HOH   A O    1 ? 
HETATM 2439 O O    . HOH   D 4 .   ? -27.073 -1.898  8.344   1.000 25.188 0 481 HOH   A O    1 ? 
HETATM 2440 O O    . HOH   D 4 .   ? -21.369 18.713  4.877   1.000 22.970 0 482 HOH   A O    1 ? 
HETATM 2441 O O    . HOH   D 4 .   ? -16.441 -6.799  16.423  1.000 20.683 0 483 HOH   A O    1 ? 
HETATM 2442 O O    . HOH   D 4 .   ? -10.998 14.120  21.047  1.000 15.799 0 484 HOH   A O    1 ? 
HETATM 2443 O O    . HOH   D 4 .   ? -10.265 -2.981  17.335  1.000 8.534  0 485 HOH   A O    1 ? 
HETATM 2444 O O    . HOH   D 4 .   ? -1.711  3.126   16.258  1.000 14.642 0 486 HOH   A O    1 ? 
HETATM 2445 O O    . HOH   D 4 .   ? -24.442 -0.143  12.135  1.000 19.252 0 487 HOH   A O    1 ? 
HETATM 2446 O O    . HOH   D 4 .   ? -16.237 7.273   -5.722  1.000 26.390 0 488 HOH   A O    1 ? 
HETATM 2447 O O    . HOH   D 4 .   ? -18.240 -10.665 -11.749 1.000 20.855 0 489 HOH   A O    1 ? 
HETATM 2448 O O    . HOH   D 4 .   ? -9.764  6.499   -1.849  1.000 28.217 0 490 HOH   A O    1 ? 
HETATM 2449 O O    . HOH   D 4 .   ? -8.333  -4.080  24.720  1.000 36.874 0 491 HOH   A O    1 ? 
HETATM 2450 O O    . HOH   D 4 .   ? -23.519 -2.243  -14.824 1.000 39.864 0 492 HOH   A O    1 ? 
HETATM 2451 O O    . HOH   D 4 .   ? -16.916 -4.947  21.914  1.000 21.156 0 493 HOH   A O    1 ? 
HETATM 2452 O O    . HOH   D 4 .   ? -27.343 -12.672 6.488   1.000 22.006 0 494 HOH   A O    1 ? 
HETATM 2453 O O    . HOH   D 4 .   ? -26.279 1.445   -7.639  1.000 32.280 0 495 HOH   A O    1 ? 
HETATM 2454 O O    . HOH   D 4 .   ? -13.221 1.573   -7.492  1.000 48.698 0 496 HOH   A O    1 ? 
HETATM 2455 O O    . HOH   D 4 .   ? 8.312   2.569   7.578   1.000 24.148 0 497 HOH   A O    1 ? 
HETATM 2456 O O    . HOH   D 4 .   ? -13.548 3.801   -3.371  1.000 22.827 0 498 HOH   A O    1 ? 
HETATM 2457 O O    . HOH   D 4 .   ? -24.232 8.081   -7.634  1.000 35.627 0 499 HOH   A O    1 ? 
HETATM 2458 O O    . HOH   D 4 .   ? 5.015   3.174   2.398   1.000 16.703 0 500 HOH   A O    1 ? 
HETATM 2459 O O    . HOH   D 4 .   ? -27.153 -1.447  -3.011  1.000 12.912 0 501 HOH   A O    1 ? 
HETATM 2460 O O    . HOH   D 4 .   ? -14.082 2.364   20.349  1.000 20.150 0 502 HOH   A O    1 ? 
HETATM 2461 O O    . HOH   D 4 .   ? -24.083 -3.072  12.398  1.000 13.232 0 503 HOH   A O    1 ? 
HETATM 2462 O O    . HOH   D 4 .   ? -1.206  16.339  6.312   1.000 42.770 0 504 HOH   A O    1 ? 
HETATM 2463 O O    . HOH   D 4 .   ? 0.628   1.102   -1.624  1.000 18.752 0 505 HOH   A O    1 ? 
HETATM 2464 O O    . HOH   D 4 .   ? 1.638   3.478   -0.478  1.000 17.274 0 506 HOH   A O    1 ? 
HETATM 2465 O O    . HOH   D 4 .   ? -8.836  -7.151  -6.064  1.000 10.554 0 507 HOH   A O    1 ? 
HETATM 2466 O O    . HOH   D 4 .   ? -26.355 7.919   11.033  1.000 18.407 0 508 HOH   A O    1 ? 
HETATM 2467 O O    . HOH   D 4 .   ? -15.920 1.165   18.337  1.000 16.784 0 509 HOH   A O    1 ? 
HETATM 2468 O O    . HOH   D 4 .   ? -27.505 4.219   -4.512  1.000 24.108 0 510 HOH   A O    1 ? 
HETATM 2469 O O    . HOH   D 4 .   ? -28.367 -2.821  -0.672  1.000 26.396 0 511 HOH   A O    1 ? 
HETATM 2470 O O    . HOH   D 4 .   ? -27.202 15.258  8.551   1.000 32.077 0 512 HOH   A O    1 ? 
HETATM 2471 O O    . HOH   D 4 .   ? -23.273 -1.244  -5.554  1.000 11.934 0 513 HOH   A O    1 ? 
HETATM 2472 O O    . HOH   D 4 .   ? -27.844 5.487   -0.075  1.000 12.068 0 514 HOH   A O    1 ? 
HETATM 2473 O O    . HOH   D 4 .   ? 2.314   -3.017  7.824   1.000 14.646 0 515 HOH   A O    1 ? 
HETATM 2474 O O    . HOH   D 4 .   ? -4.460  17.469  10.100  1.000 32.726 0 516 HOH   A O    1 ? 
HETATM 2475 O O    . HOH   D 4 .   ? -9.102  20.064  7.565   1.000 30.424 0 517 HOH   A O    1 ? 
HETATM 2476 O O    . HOH   D 4 .   ? -11.225 20.936  5.808   1.000 28.070 0 518 HOH   A O    1 ? 
HETATM 2477 O O    . HOH   D 4 .   ? -13.785 15.246  15.528  1.000 24.524 0 519 HOH   A O    1 ? 
HETATM 2478 O O    . HOH   D 4 .   ? -9.900  -19.808 -2.373  1.000 19.694 0 520 HOH   A O    1 ? 
HETATM 2479 O O    . HOH   D 4 .   ? -0.055  -9.635  7.059   1.000 16.986 0 521 HOH   A O    1 ? 
HETATM 2480 O O    . HOH   D 4 .   ? -23.691 -3.858  -11.631 1.000 34.586 0 522 HOH   A O    1 ? 
HETATM 2481 O O    . HOH   D 4 .   ? -2.371  -16.606 10.345  1.000 24.751 0 523 HOH   A O    1 ? 
HETATM 2482 O O    . HOH   D 4 .   ? -17.831 7.539   20.646  1.000 27.192 0 524 HOH   A O    1 ? 
HETATM 2483 O O    . HOH   D 4 .   ? -26.456 9.676   8.749   1.000 15.150 0 525 HOH   A O    1 ? 
HETATM 2484 O O    . HOH   D 4 .   ? -12.480 -6.320  23.770  1.000 40.420 0 526 HOH   A O    1 ? 
HETATM 2485 O O    . HOH   D 4 .   ? -26.582 0.752   9.391   1.000 24.579 0 527 HOH   A O    1 ? 
HETATM 2486 O O    . HOH   D 4 .   ? 0.639   9.431   -1.815  1.000 60.889 0 528 HOH   A O    1 ? 
HETATM 2487 O O    . HOH   D 4 .   ? -19.695 11.177  17.671  1.000 16.365 0 529 HOH   A O    1 ? 
HETATM 2488 O O    . HOH   D 4 .   ? -5.472  9.623   0.687   1.000 16.443 0 530 HOH   A O    1 ? 
HETATM 2489 O O    . HOH   D 4 .   ? 0.810   -3.124  -3.004  1.000 42.055 0 531 HOH   A O    1 ? 
HETATM 2490 O O    . HOH   D 4 .   ? -20.033 8.630   19.140  1.000 20.608 0 532 HOH   A O    1 ? 
HETATM 2491 O O    . HOH   D 4 .   ? -24.553 -2.536  -3.662  1.000 8.310  0 533 HOH   A O    1 ? 
HETATM 2492 O O    . HOH   D 4 .   ? -14.012 -7.092  14.491  1.000 17.451 0 534 HOH   A O    1 ? 
HETATM 2493 O O    . HOH   D 4 .   ? -0.100  -10.843 11.659  1.000 25.406 0 535 HOH   A O    1 ? 
HETATM 2494 O O    . HOH   D 4 .   ? 2.615   -2.580  13.643  1.000 29.355 0 536 HOH   A O    1 ? 
HETATM 2495 O O    . HOH   D 4 .   ? -18.471 5.234   -14.477 1.000 32.958 0 537 HOH   A O    1 ? 
HETATM 2496 O O    . HOH   D 4 .   ? -17.937 -8.200  18.054  1.000 29.338 0 538 HOH   A O    1 ? 
HETATM 2497 O O    . HOH   D 4 .   ? -6.423  17.003  17.457  1.000 33.061 0 539 HOH   A O    1 ? 
HETATM 2498 O O    . HOH   D 4 .   ? -25.669 -11.673 12.390  1.000 36.521 0 540 HOH   A O    1 ? 
HETATM 2499 O O    . HOH   D 4 .   ? -9.255  7.090   17.688  1.000 4.673  0 541 HOH   A O    1 ? 
HETATM 2500 O O    . HOH   D 4 .   ? 2.183   7.845   14.436  1.000 25.703 0 542 HOH   A O    1 ? 
HETATM 2501 O O    . HOH   D 4 .   ? -27.865 -5.277  -0.192  1.000 30.542 0 543 HOH   A O    1 ? 
HETATM 2502 O O    . HOH   D 4 .   ? -24.765 -0.870  -7.651  1.000 30.958 0 544 HOH   A O    1 ? 
HETATM 2503 O O    . HOH   D 4 .   ? 6.004   3.609   12.612  1.000 48.203 0 545 HOH   A O    1 ? 
HETATM 2504 O O    . HOH   D 4 .   ? -27.115 -6.117  2.506   1.000 18.873 0 546 HOH   A O    1 ? 
HETATM 2505 O O    . HOH   D 4 .   ? -18.500 14.802  4.530   1.000 26.641 0 547 HOH   A O    1 ? 
HETATM 2506 O O    . HOH   D 4 .   ? 2.944   8.896   8.521   1.000 35.420 0 548 HOH   A O    1 ? 
HETATM 2507 O O    . HOH   D 4 .   ? 2.550   -5.154  9.455   1.000 44.250 0 549 HOH   A O    1 ? 
HETATM 2508 O O    . HOH   D 4 .   ? -6.093  16.351  7.749   1.000 20.522 0 550 HOH   A O    1 ? 
HETATM 2509 O O    . HOH   D 4 .   ? -23.864 0.600   9.666   1.000 14.538 0 551 HOH   A O    1 ? 
HETATM 2510 O O    . HOH   D 4 .   ? -28.325 6.500   12.553  1.000 44.720 0 552 HOH   A O    1 ? 
HETATM 2511 O O    . HOH   D 4 .   ? -27.686 -5.852  5.500   1.000 29.785 0 553 HOH   A O    1 ? 
HETATM 2512 O O    . HOH   D 4 .   ? -13.297 9.472   23.349  1.000 28.369 0 554 HOH   A O    1 ? 
HETATM 2513 O O    . HOH   D 4 .   ? -25.825 11.649  0.754   1.000 34.313 0 555 HOH   A O    1 ? 
HETATM 2514 O O    . HOH   D 4 .   ? -17.256 -20.621 7.471   1.000 36.886 0 556 HOH   A O    1 ? 
HETATM 2515 O O    . HOH   D 4 .   ? -1.633  -17.188 14.644  1.000 34.963 0 557 HOH   A O    1 ? 
HETATM 2516 O O    . HOH   D 4 .   ? -28.922 5.377   -2.545  1.000 25.888 0 558 HOH   A O    1 ? 
HETATM 2517 O O    . HOH   D 4 .   ? -20.585 -8.696  -7.168  1.000 14.496 0 559 HOH   A O    1 ? 
HETATM 2518 O O    . HOH   D 4 .   ? 2.708   8.827   16.584  1.000 21.002 0 560 HOH   A O    1 ? 
HETATM 2519 O O    . HOH   D 4 .   ? -21.174 -8.729  -9.857  1.000 33.000 0 561 HOH   A O    1 ? 
HETATM 2520 O O    . HOH   D 4 .   ? -14.282 -16.858 -12.834 1.000 33.845 0 562 HOH   A O    1 ? 
HETATM 2521 O O    . HOH   D 4 .   ? -25.528 11.976  10.232  1.000 15.720 0 563 HOH   A O    1 ? 
HETATM 2522 O O    . HOH   D 4 .   ? -9.964  8.224   -4.001  1.000 44.035 0 564 HOH   A O    1 ? 
HETATM 2523 O O    . HOH   D 4 .   ? -10.868 -19.202 0.162   1.000 20.483 0 565 HOH   A O    1 ? 
HETATM 2524 O O    . HOH   D 4 .   ? 1.789   -10.094 -0.432  1.000 35.516 0 566 HOH   A O    1 ? 
HETATM 2525 O O    . HOH   D 4 .   ? -28.962 9.863   8.064   1.000 39.114 0 567 HOH   A O    1 ? 
HETATM 2526 O O    . HOH   D 4 .   ? -26.808 -6.464  -2.551  1.000 31.858 0 568 HOH   A O    1 ? 
HETATM 2527 O O    . HOH   D 4 .   ? -8.930  -20.150 5.730   1.000 33.502 0 569 HOH   A O    1 ? 
HETATM 2528 O O    . HOH   D 4 .   ? 1.710   -6.999  3.005   1.000 36.381 0 570 HOH   A O    1 ? 
HETATM 2529 O O    . HOH   D 4 .   ? -17.351 -18.483 3.110   1.000 16.961 0 571 HOH   A O    1 ? 
HETATM 2530 O O    . HOH   D 4 .   ? -25.470 -4.977  -4.360  1.000 21.871 0 572 HOH   A O    1 ? 
HETATM 2531 O O    . HOH   D 4 .   ? -9.504  22.955  6.724   1.000 37.179 0 573 HOH   A O    1 ? 
HETATM 2532 O O    . HOH   D 4 .   ? -17.349 -20.849 5.057   1.000 29.647 0 574 HOH   A O    1 ? 
HETATM 2533 O O    . HOH   D 4 .   ? -6.897  -21.448 6.183   1.000 27.644 0 575 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    . PRO   A 1   ? 0.18840557 0.38488093 0.30074331 0.04212782  0.00149655  -0.05974811 113 PRO   A N    
2    C CA   . PRO   A 1   ? 0.16126117 0.34859484 0.25315639 0.02240426  0.01581576  -0.05485602 113 PRO   A CA   
3    C C    . PRO   A 1   ? 0.13240083 0.27007452 0.22882953 0.01850579  0.03180968  -0.03542332 113 PRO   A C    
4    O O    . PRO   A 1   ? 0.14470193 0.35311231 0.27238595 0.03556502  0.04722907  -0.06371004 113 PRO   A O    
5    C CB   . PRO   A 1   ? 0.22299120 0.37471989 0.27219945 0.03597757  0.00746703  -0.05033483 113 PRO   A CB   
6    C CG   . PRO   A 1   ? 0.25273484 0.39720592 0.31506699 0.00697659  0.00482095  -0.04349233 113 PRO   A CG   
7    C CD   . PRO   A 1   ? 0.24399957 0.39986834 0.32167381 0.02102439  0.01502378  -0.06902374 113 PRO   A CD   
8    H H    . PRO   A 1   ? 0.19162081 0.37867659 0.29174766 0.03268411  0.00794415  -0.06047664 113 PRO   A H    
9    H HA   . PRO   A 1   ? 0.16592880 0.33615783 0.25556412 0.02612277  0.01656242  -0.04933021 113 PRO   A HA   
10   H HB2  . PRO   A 1   ? 0.21085498 0.37073901 0.27364033 0.02716351  0.00873547  -0.04943408 113 PRO   A HB2  
11   H HB3  . PRO   A 1   ? 0.21156661 0.37162271 0.27428627 0.02705290  0.00930446  -0.05014803 113 PRO   A HB3  
12   H HG2  . PRO   A 1   ? 0.24429125 0.39275727 0.31176233 0.01727379  0.00561194  -0.05044860 113 PRO   A HG2  
13   H HG3  . PRO   A 1   ? 0.24376315 0.39507952 0.30761895 0.01782113  0.00763287  -0.04930244 113 PRO   A HG3  
14   H HD2  . PRO   A 1   ? 0.23689961 0.39563805 0.31574607 0.02227890  0.00772473  -0.06076462 113 PRO   A HD2  
15   H HD3  . PRO   A 1   ? 0.23244359 0.39555344 0.31692332 0.02315854  0.00909617  -0.06070159 113 PRO   A HD3  
16   N N    . LEU   A 2   ? 0.12533464 0.15281738 0.16709262 0.01695504  0.02842691  -0.01796715 114 LEU   A N    
17   C CA   . LEU   A 2   ? 0.13787788 0.11198003 0.16799542 0.02789521  0.03084476  -0.01478367 114 LEU   A CA   
18   C C    . LEU   A 2   ? 0.13708469 0.11361350 0.16139738 0.03293432  0.03469314  -0.01319724 114 LEU   A C    
19   O O    . LEU   A 2   ? 0.20248447 0.14476770 0.17226845 0.06189523  0.04171943  -0.02745431 114 LEU   A O    
20   C CB   . LEU   A 2   ? 0.13908760 0.11519920 0.19976039 0.02519584  0.03547966  -0.02092905 114 LEU   A CB   
21   C CG   . LEU   A 2   ? 0.15526284 0.11603320 0.22319004 0.02876142  0.03133848  -0.01297231 114 LEU   A CG   
22   C CD1  . LEU   A 2   ? 0.16930765 0.11431670 0.23779745 0.02590130  0.04946565  -0.01711416 114 LEU   A CD1  
23   C CD2  . LEU   A 2   ? 0.17450443 0.15482642 0.25464317 0.03077640  0.03609922  -0.00290207 114 LEU   A CD2  
24   H H    . LEU   A 2   ? 0.12849556 0.16029900 0.17579174 0.02071364  0.03085343  -0.02105450 114 LEU   A H    
25   H HA   . LEU   A 2   ? 0.13567993 0.12176511 0.17301679 0.02647164  0.03225112  -0.01633315 114 LEU   A HA   
26   H HB2  . LEU   A 2   ? 0.14040701 0.11377894 0.19484374 0.02645388  0.03390045  -0.01840519 114 LEU   A HB2  
27   H HB3  . LEU   A 2   ? 0.14176571 0.11442945 0.19681418 0.02665669  0.03396709  -0.01767520 114 LEU   A HB3  
28   H HG   . LEU   A 2   ? 0.15655768 0.12089725 0.22330441 0.02773986  0.03568166  -0.01402175 114 LEU   A HG   
29   H HD11 . LEU   A 2   ? 0.16417718 0.11488862 0.23302723 0.02656561  0.04404603  -0.01631233 114 LEU   A HD11 
30   H HD12 . LEU   A 2   ? 0.16496168 0.11666719 0.23404063 0.02631109  0.04420524  -0.01642325 114 LEU   A HD12 
31   H HD13 . LEU   A 2   ? 0.16512081 0.11514664 0.23582019 0.02684800  0.04469795  -0.01569018 114 LEU   A HD13 
32   H HD21 . LEU   A 2   ? 0.17089611 0.14346369 0.24327061 0.03258051  0.03488537  -0.00682557 114 LEU   A HD21 
33   H HD22 . LEU   A 2   ? 0.16880934 0.14229418 0.24802583 0.03068232  0.03599826  -0.00599424 114 LEU   A HD22 
34   H HD23 . LEU   A 2   ? 0.16871679 0.14593160 0.24526247 0.02946304  0.03557094  -0.00868231 114 LEU   A HD23 
35   N N    . ILE   A 3   ? 0.10887865 0.10206895 0.16865405 0.01548519  0.03597675  -0.01594966 115 ILE   A N    
36   C CA   . ILE   A 3   ? 0.10772280 0.09864254 0.17990632 -0.00025193 0.02915487  -0.01065550 115 ILE   A CA   
37   C C    . ILE   A 3   ? 0.10365614 0.05541432 0.19176283 -0.00561242 0.02826596  -0.01597152 115 ILE   A C    
38   O O    . ILE   A 3   ? 0.11459561 0.06701912 0.28244698 0.00600641  -0.00243577 -0.03748173 115 ILE   A O    
39   C CB   . ILE   A 3   ? 0.12698793 0.16514523 0.21347082 0.00614339  0.02900174  0.01200426  115 ILE   A CB   
40   C CG1  . ILE   A 3   ? 0.14370956 0.18670714 0.22946008 -0.00727277 0.02285445  -0.00362956 115 ILE   A CG1  
41   C CG2  . ILE   A 3   ? 0.14726001 0.18999743 0.23760548 0.00205435  0.02686189  0.02576314  115 ILE   A CG2  
42   H H    . ILE   A 3   ? 0.11294635 0.10246649 0.16954842 0.01759902  0.03526896  -0.01515908 115 ILE   A H    
43   H HA   . ILE   A 3   ? 0.10976131 0.09615240 0.18400556 0.00296175  0.03023291  -0.01002738 115 ILE   A HA   
44   H HB   . ILE   A 3   ? 0.12677498 0.15854388 0.21102153 0.00156878  0.02758657  0.00950743  115 ILE   A HB   
45   H HG12 . ILE   A 3   ? 0.19527124 0.19527124 0.19527124 0.00000000  0.00000000  0.00000000  115 ILE   A HG12 
46   H HG13 . ILE   A 3   ? 0.13808998 0.18045041 0.22451034 -0.00308687 0.02482294  0.00224337  115 ILE   A HG13 
47   H HG21 . ILE   A 3   ? 0.14251015 0.18256634 0.23246032 0.00388661  0.02575820  0.02151868  115 ILE   A HG21 
48   H HG22 . ILE   A 3   ? 0.14154297 0.18614608 0.23155077 0.00296762  0.02690458  0.02403815  115 ILE   A HG22 
49   H HG23 . ILE   A 3   ? 0.14373377 0.18160269 0.23027606 0.00461833  0.02814963  0.02203418  115 ILE   A HG23 
50   N N    . VAL   A 4   ? 0.12375225 0.04660473 0.18297130 -0.00075606 0.01703294  -0.00549075 116 VAL   A N    
51   C CA   . VAL   A 4   ? 0.13041052 0.03418282 0.16919573 0.00800534  0.03102069  0.01062384  116 VAL   A CA   
52   C C    . VAL   A 4   ? 0.14403045 0.02778005 0.17385067 -0.00497854 0.03067039  0.02114534  116 VAL   A C    
53   O O    . VAL   A 4   ? 0.16015264 0.04553984 0.19453295 -0.02420816 0.02149199  0.04662197  116 VAL   A O    
54   C CB   . VAL   A 4   ? 0.15355217 0.06998695 0.18157926 0.02328408  0.03135857  0.01216954  116 VAL   A CB   
55   C CG1  . VAL   A 4   ? 0.16026573 0.07538141 0.19359697 0.01672977  0.01964515  0.00155241  116 VAL   A CG1  
56   C CG2  . VAL   A 4   ? 0.15926355 0.11012823 0.19053027 0.02757986  0.03211802  0.01387603  116 VAL   A CG2  
57   H HA   . VAL   A 4   ? 0.13369995 0.03717087 0.17472662 0.00497527  0.02808527  0.00897750  116 VAL   A HA   
58   H HB   . VAL   A 4   ? 0.15001954 0.07089788 0.18190789 0.02080152  0.02948197  0.01064697  116 VAL   A HB   
59   H HG11 . VAL   A 4   ? 0.15795588 0.07317591 0.19021542 0.01793768  0.02312820  0.00440883  116 VAL   A HG11 
60   H HG12 . VAL   A 4   ? 0.15828355 0.07454849 0.19199455 0.01801160  0.02354910  0.00354110  116 VAL   A HG12 
61   H HG13 . VAL   A 4   ? 0.15856205 0.07415567 0.19189115 0.01816127  0.02259838  0.00514182  116 VAL   A HG13 
62   H HG21 . VAL   A 4   ? 0.15818760 0.09832662 0.18886174 0.02626549  0.03109469  0.01420934  116 VAL   A HG21 
63   H HG22 . VAL   A 4   ? 0.15837947 0.09775356 0.18781877 0.02648436  0.03185339  0.01362148  116 VAL   A HG22 
64   H HG23 . VAL   A 4   ? 0.15823568 0.10419219 0.18794860 0.02833037  0.03202315  0.01461994  116 VAL   A HG23 
65   N N    . PRO   A 5   ? 0.14472166 0.03681270 0.15772927 -0.00809155 0.02669640  0.02691331  117 PRO   A N    
66   C CA   . PRO   A 5   ? 0.13228151 0.03473853 0.15342689 -0.00301788 0.02747006  0.02033382  117 PRO   A CA   
67   C C    . PRO   A 5   ? 0.12432109 0.03809986 0.14534530 -0.00633022 0.03836088  0.00445296  117 PRO   A C    
68   O O    . PRO   A 5   ? 0.15029395 0.07371913 0.18043223 0.01475575  0.06747678  0.02146047  117 PRO   A O    
69   C CB   . PRO   A 5   ? 0.16230200 0.07262149 0.18207875 -0.00456516 0.00858920  0.02082664  117 PRO   A CB   
70   C CG   . PRO   A 5   ? 0.21014345 0.11287352 0.18182504 -0.01320503 -0.00039232 0.03263009  117 PRO   A CG   
71   C CD   . PRO   A 5   ? 0.18194461 0.06112545 0.17529896 -0.01659109 0.01695500  0.04116339  117 PRO   A CD   
72   H HA   . PRO   A 5   ? 0.13585454 0.04054800 0.15488078 -0.00468863 0.02768029  0.01773223  117 PRO   A HA   
73   H HB2  . PRO   A 5   ? 0.16056994 0.06953407 0.17359474 -0.00555797 0.01257171  0.02398451  117 PRO   A HB2  
74   H HB3  . PRO   A 5   ? 0.16207194 0.06787107 0.17342474 -0.00606368 0.01196638  0.02322869  117 PRO   A HB3  
75   H HG2  . PRO   A 5   ? 0.19435212 0.09106275 0.18426380 -0.01468481 0.00310024  0.03415999  117 PRO   A HG2  
76   H HG3  . PRO   A 5   ? 0.19394311 0.09062938 0.18260251 -0.01423433 0.00776476  0.03097087  117 PRO   A HG3  
77   H HD2  . PRO   A 5   ? 0.17674026 0.06960615 0.17761405 -0.01029683 0.01652668  0.03466695  117 PRO   A HD2  
78   H HD3  . PRO   A 5   ? 0.17667368 0.06587481 0.17248192 -0.01449022 0.01612010  0.03606619  117 PRO   A HD3  
79   N N    . TYR   A 6   ? 0.11277908 0.01864763 0.14278449 -0.00557464 0.02648782  -0.00606115 118 TYR   A N    
80   C CA   . TYR   A 6   ? 0.10675420 0.01786146 0.13107386 -0.00811467 0.02451838  -0.01549228 118 TYR   A CA   
81   C C    . TYR   A 6   ? 0.10315792 0.01967533 0.12760149 -0.00530764 0.02731977  -0.02120283 118 TYR   A C    
82   O O    . TYR   A 6   ? 0.10915470 0.04883864 0.16912803 -0.01973282 0.03405068  -0.06347888 118 TYR   A O    
83   C CB   . TYR   A 6   ? 0.12171726 0.02205228 0.14156316 -0.00445862 0.00876202  -0.01323095 118 TYR   A CB   
84   C CG   . TYR   A 6   ? 0.12874229 0.03805767 0.16590527 0.00553751  -0.00647479 -0.01531181 118 TYR   A CG   
85   C CD1  . TYR   A 6   ? 0.13857646 0.06770094 0.20671542 -0.00811651 -0.00803362 -0.00533046 118 TYR   A CD1  
86   C CD2  . TYR   A 6   ? 0.15335685 0.04239845 0.19645789 -0.00283677 -0.02476897 -0.00077532 118 TYR   A CD2  
87   C CE1  . TYR   A 6   ? 0.15161088 0.10248774 0.23994912 0.01708001  -0.01654906 -0.01813399 118 TYR   A CE1  
88   C CE2  . TYR   A 6   ? 0.17151761 0.05147871 0.24001446 0.00348874  -0.02510919 -0.00999962 118 TYR   A CE2  
89   C CZ   . TYR   A 6   ? 0.16838932 0.07128110 0.27384457 0.03325607  -0.02538093 -0.03161845 118 TYR   A CZ   
90   O OH   . TYR   A 6   ? 0.21543027 0.10215261 0.33490798 0.05372079  -0.03879882 0.00077242  118 TYR   A OH   
91   H H    . TYR   A 6   ? 0.11414847 0.02201861 0.14035504 -0.00635588 0.02809544  -0.00579798 118 TYR   A H    
92   H HA   . TYR   A 6   ? 0.10802579 0.01925365 0.13357489 -0.00654974 0.02420525  -0.01429308 118 TYR   A HA   
93   H HB2  . TYR   A 6   ? 0.11899224 0.02315537 0.14362839 -0.00381283 0.00939193  -0.01471670 118 TYR   A HB2  
94   H HB3  . TYR   A 6   ? 0.11968139 0.02389093 0.14379519 -0.00337951 0.00928478  -0.01432844 118 TYR   A HB3  
95   H HD1  . TYR   A 6   ? 0.13746716 0.06072896 0.19911672 -0.00052296 -0.00889476 -0.00953992 118 TYR   A HD1  
96   H HD2  . TYR   A 6   ? 0.15151492 0.04299730 0.19539472 0.00111372  -0.01992955 -0.00676518 118 TYR   A HD2  
97   H HE1  . TYR   A 6   ? 0.15209961 0.08468004 0.23599812 0.01379424  -0.01629842 -0.01731139 118 TYR   A HE1  
98   H HE2  . TYR   A 6   ? 0.16471504 0.05070477 0.23236981 0.00719498  -0.02444458 -0.01121805 118 TYR   A HE2  
99   H HH   . TYR   A 6   ? 0.21872710 0.21872710 0.21872710 0.00000000  0.00000000  0.00000000  118 TYR   A HH   
100  N N    . ASN   A 7   ? 0.11095254 0.02672764 0.14482674 -0.00504668 0.02672724  -0.02909691 119 ASN   A N    
101  C CA   . ASN   A 7   ? 0.12957834 0.03646671 0.15823060 -0.00431224 0.02513356  -0.04300233 119 ASN   A CA   
102  C C    . ASN   A 7   ? 0.11286608 0.02438458 0.16650863 0.00326046  0.02975362  -0.04096339 119 ASN   A C    
103  O O    . ASN   A 7   ? 0.12650421 0.05493414 0.24201475 0.00759304  0.05825067  -0.02185649 119 ASN   A O    
104  C CB   . ASN   A 7   ? 0.20609200 0.08080720 0.17102239 -0.00713791 0.02074882  -0.05503828 119 ASN   A CB   
105  C CG   . ASN   A 7   ? 0.28369683 0.18764469 0.21418455 0.01741624  0.02271525  -0.04170007 119 ASN   A CG   
106  O OD1  . ASN   A 7   ? 0.32999915 0.26737157 0.26773411 0.07587107  0.01999167  -0.03251075 119 ASN   A OD1  
107  N ND2  . ASN   A 7   ? 0.37004995 0.28866735 0.25437310 0.02404482  0.05475085  -0.01575106 119 ASN   A ND2  
108  H H    . ASN   A 7   ? 0.11164725 0.02650467 0.14244770 -0.00509758 0.02670638  -0.02946100 119 ASN   A H    
109  H HA   . ASN   A 7   ? 0.12969984 0.03652658 0.15768003 -0.00312973 0.02542587  -0.04089180 119 ASN   A HA   
110  H HB2  . ASN   A 7   ? 0.19378760 0.07590265 0.17141083 -0.00108991 0.02054974  -0.04930366 119 ASN   A HB2  
111  H HB3  . ASN   A 7   ? 0.18633255 0.07547886 0.17069557 -0.00186232 0.02228539  -0.04879087 119 ASN   A HB3  
112  H HD21 . ASN   A 7   ? 0.34165087 0.24378395 0.23861353 0.01150501  0.03690023  -0.02351771 119 ASN   A HD21 
113  H HD22 . ASN   A 7   ? 0.33907574 0.25162390 0.24296212 0.01396292  0.04645763  -0.03117458 119 ASN   A HD22 
114  N N    . LEU   A 8   ? 0.09283110 0.01915477 0.14244092 -0.00113713 0.00976033  -0.04171034 120 LEU   A N    
115  C CA   . LEU   A 8   ? 0.08970042 0.02245873 0.13664281 0.00169194  -0.00404780 -0.03927372 120 LEU   A CA   
116  C C    . LEU   A 8   ? 0.09071837 0.01479365 0.12686574 0.00587732  0.00082915  -0.03109400 120 LEU   A C    
117  O O    . LEU   A 8   ? 0.08415415 0.01894785 0.11621846 0.00946180  0.00117879  -0.03534783 120 LEU   A O    
118  C CB   . LEU   A 8   ? 0.11234047 0.02309407 0.13595204 -0.00185537 -0.01565446 -0.04587503 120 LEU   A CB   
119  C CG   . LEU   A 8   ? 0.15159082 0.02906109 0.14389354 0.00323863  -0.02694204 -0.04106455 120 LEU   A CG   
120  C CD1  . LEU   A 8   ? 0.16846432 0.06656220 0.15970096 0.02330578  -0.02918001 -0.03930198 120 LEU   A CD1  
121  C CD2  . LEU   A 8   ? 0.17594856 0.03118470 0.14329813 -0.00980016 -0.03280660 -0.03746470 120 LEU   A CD2  
122  H H    . LEU   A 8   ? 0.09453621 0.01907084 0.14465848 0.00077821  0.01080515  -0.04166862 120 LEU   A H    
123  H HA   . LEU   A 8   ? 0.09236785 0.01859728 0.13598946 0.00169707  -0.00206933 -0.03985603 120 LEU   A HA   
124  H HB2  . LEU   A 8   ? 0.11282978 0.02264525 0.13576137 -0.00180546 -0.01643677 -0.04517528 120 LEU   A HB2  
125  H HB3  . LEU   A 8   ? 0.11311445 0.02157004 0.13637431 -0.00040475 -0.01513968 -0.04408555 120 LEU   A HB3  
126  H HG   . LEU   A 8   ? 0.14717990 0.03057769 0.14306128 0.00290134  -0.02558014 -0.04173535 120 LEU   A HG   
127  H HD11 . LEU   A 8   ? 0.16133039 0.05402427 0.15645310 0.01656612  -0.02872396 -0.03917484 120 LEU   A HD11 
128  H HD12 . LEU   A 8   ? 0.16205187 0.05749182 0.15627193 0.01608554  -0.02762280 -0.04101640 120 LEU   A HD12 
129  H HD13 . LEU   A 8   ? 0.16204594 0.06018725 0.15768161 0.01863750  -0.02661964 -0.03501621 120 LEU   A HD13 
130  H HD21 . LEU   A 8   ? 0.17102483 0.03058635 0.14362597 -0.00584575 -0.03028466 -0.03867320 120 LEU   A HD21 
131  H HD22 . LEU   A 8   ? 0.16882020 0.03042056 0.14336528 -0.00579310 -0.03060446 -0.03871781 120 LEU   A HD22 
132  H HD23 . LEU   A 8   ? 0.16902259 0.03091355 0.14361197 -0.00586511 -0.03072475 -0.03884190 120 LEU   A HD23 
133  N N    . PRO   A 9   ? 0.09126993 0.01637709 0.12416248 0.00206232  0.00823404  -0.03400042 121 PRO   A N    
134  C CA   . PRO   A 9   ? 0.09543045 0.01386716 0.11567573 0.00046517  0.00939398  -0.02851890 121 PRO   A CA   
135  C C    . PRO   A 9   ? 0.08515444 0.01339625 0.09906767 0.01077001  0.00301128  -0.02234679 121 PRO   A C    
136  O O    . PRO   A 9   ? 0.10097017 0.02352455 0.10782891 0.01053561  -0.00970281 -0.02824191 121 PRO   A O    
137  C CB   . PRO   A 9   ? 0.11100091 0.04327634 0.13843606 0.00056292  0.02084465  -0.04201115 121 PRO   A CB   
138  C CG   . PRO   A 9   ? 0.11549529 0.05495069 0.16393036 -0.00153336 0.02068933  -0.04518909 121 PRO   A CG   
139  C CD   . PRO   A 9   ? 0.10519839 0.02414510 0.15692969 0.00337540  0.01072349  -0.03957557 121 PRO   A CD   
140  H HA   . PRO   A 9   ? 0.09419598 0.01699438 0.11616932 0.00306188  0.00941648  -0.03021346 121 PRO   A HA   
141  H HB2  . PRO   A 9   ? 0.10733424 0.03795305 0.13688499 -0.00089491 0.01851466  -0.04042798 121 PRO   A HB2  
142  H HB3  . PRO   A 9   ? 0.10706029 0.03645632 0.13698959 0.00005852  0.01809172  -0.03876241 121 PRO   A HB3  
143  H HG2  . PRO   A 9   ? 0.11449115 0.04460784 0.15633580 -0.00080018 0.01836638  -0.04334322 121 PRO   A HG2  
144  H HG3  . PRO   A 9   ? 0.11237670 0.04525859 0.15849464 -0.00033852 0.01885257  -0.04475350 121 PRO   A HG3  
145  H HD2  . PRO   A 9   ? 0.10297007 0.02673740 0.14885378 0.00180496  0.01256630  -0.03941901 121 PRO   A HD2  
146  H HD3  . PRO   A 9   ? 0.10246652 0.02576926 0.14800966 0.00187093  0.01203904  -0.03890134 121 PRO   A HD3  
147  N N    . LEU   A 10  ? 0.08694892 0.00872190 0.08298843 0.00667480  -0.00102135 -0.01194906 122 LEU   A N    
148  C CA   . LEU   A 10  ? 0.09187745 0.00799311 0.07927156 0.00726929  -0.00167191 -0.00886136 122 LEU   A CA   
149  C C    . LEU   A 10  ? 0.08917632 0.00794145 0.08314686 0.01007977  -0.00547327 -0.00607313 122 LEU   A C    
150  O O    . LEU   A 10  ? 0.09259549 0.00930994 0.09757516 0.01298279  -0.01497939 -0.01177890 122 LEU   A O    
151  C CB   . LEU   A 10  ? 0.09076494 0.00855962 0.08360428 0.00745876  -0.00183280 -0.01116683 122 LEU   A CB   
152  C CG   . LEU   A 10  ? 0.09186157 0.01050233 0.09363042 0.00481591  0.00393001  -0.01820781 122 LEU   A CG   
153  C CD1  . LEU   A 10  ? 0.09643798 0.01060909 0.09965497 0.00763760  0.00645979  -0.01780991 122 LEU   A CD1  
154  C CD2  . LEU   A 10  ? 0.09982836 0.02652265 0.10313420 0.01273391  -0.00054534 -0.02376124 122 LEU   A CD2  
155  H H    . LEU   A 10  ? 0.08757187 0.00927971 0.08447859 0.00767370  -0.00079140 -0.01325219 122 LEU   A H    
156  H HA   . LEU   A 10  ? 0.09018675 0.00823238 0.08159851 0.00788574  -0.00242566 -0.00956038 122 LEU   A HA   
157  H HB2  . LEU   A 10  ? 0.09100922 0.00873710 0.08414067 0.00692405  -0.00105008 -0.01204463 122 LEU   A HB2  
158  H HB3  . LEU   A 10  ? 0.09115199 0.00867726 0.08444008 0.00678718  -0.00059214 -0.01190942 122 LEU   A HB3  
159  H HG   . LEU   A 10  ? 0.09319638 0.01029356 0.09323639 0.00666299  0.00288541  -0.01708405 122 LEU   A HG   
160  H HD11 . LEU   A 10  ? 0.09513113 0.01055605 0.09852385 0.00678031  0.00596416  -0.01798780 122 LEU   A HD11 
161  H HD12 . LEU   A 10  ? 0.09502029 0.01045895 0.09812836 0.00676166  0.00566381  -0.01773832 122 LEU   A HD12 
162  H HD13 . LEU   A 10  ? 0.09512478 0.01068661 0.09811808 0.00698404  0.00556805  -0.01821372 122 LEU   A HD13 
163  H HD21 . LEU   A 10  ? 0.09810620 0.02011133 0.09987243 0.01014841  0.00044233  -0.02218267 122 LEU   A HD21 
164  H HD22 . LEU   A 10  ? 0.09781103 0.02217204 0.10119396 0.01119598  -0.00015289 -0.02374316 122 LEU   A HD22 
165  H HD23 . LEU   A 10  ? 0.09745133 0.02302277 0.10076080 0.00973703  0.00029275  -0.02097373 122 LEU   A HD23 
166  N N    . PRO   A 11  ? 0.08411803 0.00963697 0.08014665 0.01343492  -0.00140050 -0.00876258 123 PRO   A N    
167  C CA   . PRO   A 11  ? 0.09016679 0.00874666 0.08107483 0.01250878  -0.00199236 -0.00669307 123 PRO   A CA   
168  C C    . PRO   A 11  ? 0.09794667 0.00933791 0.09055255 0.01317220  -0.00046967 -0.00974232 123 PRO   A C    
169  O O    . PRO   A 11  ? 0.11723284 0.01508068 0.07769393 0.00421608  -0.00260894 -0.02484407 123 PRO   A O    
170  C CB   . PRO   A 11  ? 0.08608490 0.01387785 0.09116690 0.01499417  0.00084560  -0.00936585 123 PRO   A CB   
171  C CG   . PRO   A 11  ? 0.09308838 0.01910406 0.09412882 0.01693951  -0.00000713 -0.00828046 123 PRO   A CG   
172  C CD   . PRO   A 11  ? 0.09109856 0.01293025 0.08707280 0.01305412  -0.00141835 -0.01137920 123 PRO   A CD   
173  H HA   . PRO   A 11  ? 0.08962573 0.00908929 0.08254434 0.01315887  -0.00119330 -0.00737504 123 PRO   A HA   
174  H HB2  . PRO   A 11  ? 0.08860832 0.01273038 0.08967998 0.01507833  -0.00006044 -0.00971995 123 PRO   A HB2  
175  H HB3  . PRO   A 11  ? 0.08843783 0.01174581 0.08920510 0.01508238  -0.00000982 -0.00890252 123 PRO   A HB3  
176  H HG2  . PRO   A 11  ? 0.09134223 0.01650026 0.09199855 0.01547338  0.00010908  -0.00948523 123 PRO   A HG2  
177  H HG3  . PRO   A 11  ? 0.09116527 0.01689809 0.09220207 0.01584018  -0.00035489 -0.00980880 123 PRO   A HG3  
178  H HD2  . PRO   A 11  ? 0.08958191 0.01278822 0.08702291 0.01403131  -0.00118090 -0.01045403 123 PRO   A HD2  
179  H HD3  . PRO   A 11  ? 0.08961847 0.01235746 0.08666549 0.01389709  -0.00116837 -0.01037548 123 PRO   A HD3  
180  N N    . GLY   A 12  ? 0.09756452 0.00867360 0.09027505 0.00789403  -0.00014763 -0.01078190 124 GLY   A N    
181  C CA   . GLY   A 12  ? 0.10612224 0.01463793 0.09255281 0.00111663  -0.00122767 -0.01084271 124 GLY   A CA   
182  C C    . GLY   A 12  ? 0.09458333 0.01432843 0.08390060 0.00222237  -0.00695304 -0.00789188 124 GLY   A C    
183  O O    . GLY   A 12  ? 0.10611539 0.01937323 0.11815473 0.00335271  -0.00683210 0.01130944  124 GLY   A O    
184  H H    . GLY   A 12  ? 0.09924885 0.00845349 0.09050093 0.00802799  -0.00040185 -0.01058652 124 GLY   A H    
185  H HA2  . GLY   A 12  ? 0.10127775 0.01355942 0.09107183 0.00296868  -0.00201044 -0.01008571 124 GLY   A HA2  
186  H HA3  . GLY   A 12  ? 0.10154995 0.01511560 0.09056707 0.00235007  -0.00184146 -0.01126867 124 GLY   A HA3  
187  N N    . GLY   A 13  ? 0.09031671 0.01492813 0.08003224 0.00814554  0.00221180  -0.00530127 125 GLY   A N    
188  C CA   . GLY   A 13  ? 0.08477115 0.02175319 0.08339340 0.00952514  -0.00380186 -0.00190029 125 GLY   A CA   
189  C C    . GLY   A 13  ? 0.08831712 0.01893020 0.07975067 0.00090451  -0.00491080 -0.00332064 125 GLY   A C    
190  O O    . GLY   A 13  ? 0.09770476 0.08378731 0.08522764 0.00968136  -0.01217860 -0.00186866 125 GLY   A O    
191  H H    . GLY   A 13  ? 0.09010459 0.01592093 0.08186132 0.00686960  -0.00113970 -0.00517479 125 GLY   A H    
192  H HA2  . GLY   A 13  ? 0.08722149 0.02098504 0.08174472 0.00727110  -0.00260352 -0.00332014 125 GLY   A HA2  
193  H HA3  . GLY   A 13  ? 0.08754838 0.01956108 0.08192413 0.00709915  -0.00254406 -0.00295976 125 GLY   A HA3  
194  N N    . VAL   A 14  ? 0.09648709 0.02362771 0.07770985 -0.00068490 -0.00062369 -0.00282222 126 VAL   A N    
195  C CA   . VAL   A 14  ? 0.10951264 0.01647660 0.07526498 -0.00916580 -0.00272174 -0.00289098 126 VAL   A CA   
196  C C    . VAL   A 14  ? 0.11556336 0.01334361 0.08849714 -0.01021899 -0.00237906 -0.00539264 126 VAL   A C    
197  O O    . VAL   A 14  ? 0.12421061 0.02770280 0.09806481 -0.01371952 -0.01170633 -0.00743841 126 VAL   A O    
198  C CB   . VAL   A 14  ? 0.12616049 0.02046985 0.06875326 -0.01235376 0.00345525  -0.00955886 126 VAL   A CB   
199  C CG1  . VAL   A 14  ? 0.13947421 0.02856196 0.07532007 -0.01834970 0.00310574  -0.00596813 126 VAL   A CG1  
200  C CG2  . VAL   A 14  ? 0.12727614 0.00947295 0.07320336 -0.00096295 0.00929893  -0.00819974 126 VAL   A CG2  
201  H H    . VAL   A 14  ? 0.09763976 0.02070520 0.07778066 -0.00202002 -0.00193334 -0.00305095 126 VAL   A H    
202  H HA   . VAL   A 14  ? 0.11018227 0.01836014 0.07685833 -0.00805628 -0.00165888 -0.00443705 126 VAL   A HA   
203  H HB   . VAL   A 14  ? 0.12490499 0.01903599 0.07063895 -0.01047814 0.00340587  -0.00720991 126 VAL   A HB   
204  H HG11 . VAL   A 14  ? 0.13517687 0.02637363 0.07434212 -0.01661231 0.00307173  -0.00699753 126 VAL   A HG11 
205  H HG12 . VAL   A 14  ? 0.13625768 0.02638729 0.07374018 -0.01684455 0.00357508  -0.00696272 126 VAL   A HG12 
206  H HG13 . VAL   A 14  ? 0.13586167 0.02803359 0.07401328 -0.01761927 0.00269202  -0.00602434 126 VAL   A HG13 
207  H HG21 . VAL   A 14  ? 0.12615921 0.01000361 0.07150456 -0.00287988 0.00813138  -0.00986971 126 VAL   A HG21 
208  H HG22 . VAL   A 14  ? 0.12658483 0.01264238 0.07212464 -0.00387215 0.00759957  -0.00887804 126 VAL   A HG22 
209  H HG23 . VAL   A 14  ? 0.12629187 0.01235635 0.07251154 -0.00393427 0.00757085  -0.00882922 126 VAL   A HG23 
210  N N    . VAL   A 15  ? 0.12959315 0.01437550 0.09390058 -0.01969364 0.00508006  -0.01262580 127 VAL   A N    
211  C CA   . VAL   A 15  ? 0.14015366 0.00911706 0.10844854 -0.01437604 0.00786998  -0.01207301 127 VAL   A CA   
212  C C    . VAL   A 15  ? 0.12805620 0.00715030 0.09847604 -0.00980163 0.00358785  -0.00190672 127 VAL   A C    
213  O O    . VAL   A 15  ? 0.11047076 0.00692027 0.09304063 -0.00766874 0.00203078  -0.00155980 127 VAL   A O    
214  C CB   . VAL   A 15  ? 0.16156119 0.04900239 0.13777663 0.00323775  0.01043541  -0.01888543 127 VAL   A CB   
215  C CG1  . VAL   A 15  ? 0.15231459 0.04776925 0.16013046 0.02695937  0.00987646  -0.02305793 127 VAL   A CG1  
216  C CG2  . VAL   A 15  ? 0.18874285 0.06295229 0.17000052 0.00104698  0.01401561  -0.00585464 127 VAL   A CG2  
217  H H    . VAL   A 15  ? 0.12732014 0.01213686 0.09387263 -0.01634286 0.00318693  -0.01111131 127 VAL   A H    
218  H HA   . VAL   A 15  ? 0.13778806 0.01104813 0.10653128 -0.01240062 0.00705420  -0.01102648 127 VAL   A HA   
219  H HB   . VAL   A 15  ? 0.15669657 0.03749463 0.13685362 0.00275474  0.00971298  -0.01605370 127 VAL   A HB   
220  H HG11 . VAL   A 15  ? 0.15438133 0.04691468 0.15468827 0.02058051  0.00892833  -0.02177966 127 VAL   A HG11 
221  H HG12 . VAL   A 15  ? 0.15519328 0.04991550 0.15297382 0.02198554  0.00957464  -0.02246818 127 VAL   A HG12 
222  H HG13 . VAL   A 15  ? 0.15298167 0.04534563 0.15404944 0.02406573  0.01052380  -0.02252704 127 VAL   A HG13 
223  H HG21 . VAL   A 15  ? 0.18150890 0.06052255 0.15910864 -0.00119042 0.01225651  -0.00967044 127 VAL   A HG21 
224  H HG22 . VAL   A 15  ? 0.18109033 0.05758360 0.16055821 0.00103254  0.01484893  -0.01014629 127 VAL   A HG22 
225  H HG23 . VAL   A 15  ? 0.17926243 0.05743534 0.16127275 0.00083076  0.01101375  -0.01069592 127 VAL   A HG23 
226  N N    . PRO   A 16  ? 0.11416984 0.01619821 0.09867940 -0.01344822 0.00204131  -0.01152610 128 PRO   A N    
227  C CA   . PRO   A 16  ? 0.12373874 0.00787859 0.10483882 -0.01309059 0.00799369  -0.00222341 128 PRO   A CA   
228  C C    . PRO   A 16  ? 0.12101151 0.00754044 0.09860609 -0.00862475 0.00993883  0.00640213  128 PRO   A C    
229  O O    . PRO   A 16  ? 0.13040066 0.01296160 0.11214240 0.00234895  0.00580718  0.00654260  128 PRO   A O    
230  C CB   . PRO   A 16  ? 0.13008937 0.04239034 0.12417553 -0.01832419 0.01171289  -0.00687494 128 PRO   A CB   
231  C CG   . PRO   A 16  ? 0.13380972 0.05686120 0.13185228 -0.02036000 0.00435919  -0.01080585 128 PRO   A CG   
232  C CD   . PRO   A 16  ? 0.13133858 0.03674943 0.11790559 -0.02780413 0.00115578  -0.01194078 128 PRO   A CD   
233  H HA   . PRO   A 16  ? 0.12156060 0.00940586 0.10464723 -0.01217708 0.00766558  -0.00330053 128 PRO   A HA   
234  H HB2  . PRO   A 16  ? 0.12948123 0.03969503 0.12019148 -0.01890017 0.00963866  -0.00752682 128 PRO   A HB2  
235  H HB3  . PRO   A 16  ? 0.12928739 0.03598003 0.12027617 -0.01770706 0.00909238  -0.00646710 128 PRO   A HB3  
236  H HG2  . PRO   A 16  ? 0.13431510 0.05210490 0.12658656 -0.01936296 0.00587339  -0.00951709 128 PRO   A HG2  
237  H HG3  . PRO   A 16  ? 0.13359763 0.05085415 0.12637268 -0.02256199 0.00564242  -0.01023905 128 PRO   A HG3  
238  H HD2  . PRO   A 16  ? 0.12747923 0.03821588 0.11500452 -0.02371863 0.00199090  -0.01115007 128 PRO   A HD2  
239  H HD3  . PRO   A 16  ? 0.12696971 0.03467807 0.11590248 -0.02266649 0.00241272  -0.01218493 128 PRO   A HD3  
240  N N    . ARG   A 17  ? 0.12626345 0.00650577 0.10210416 -0.00432657 0.00289190  0.00117432  129 ARG   A N    
241  C CA   . ARG   A 17  ? 0.14450586 0.01491070 0.10594862 -0.00855671 0.00115912  0.01014644  129 ARG   A CA   
242  C C    . ARG   A 17  ? 0.11371339 0.02145898 0.09730414 -0.00137449 -0.00964748 0.01617526  129 ARG   A C    
243  O O    . ARG   A 17  ? 0.13723405 0.07725327 0.10541065 -0.01139521 -0.01464386 0.02864731  129 ARG   A O    
244  C CB   . ARG   A 17  ? 0.19080293 0.01934679 0.10755347 -0.02147625 0.00116116  0.02709546  129 ARG   A CB   
245  C CG   . ARG   A 17  ? 0.23892803 0.04985039 0.12839277 -0.04637657 0.01719907  0.01629115  129 ARG   A CG   
246  C CD   . ARG   A 17  ? 0.30723515 0.06964213 0.15990439 -0.06839828 0.01539339  0.05468663  129 ARG   A CD   
247  N NE   . ARG   A 17  ? 0.38306138 0.07853286 0.24617970 -0.05687131 0.02273350  0.04301756  129 ARG   A NE   
248  C CZ   . ARG   A 17  ? 0.43232855 0.19252431 0.28864160 -0.04127503 0.03090115  -0.02428124 129 ARG   A CZ   
249  N NH1  . ARG   A 17  ? 0.49423555 0.16622923 0.37097284 -0.02829920 0.06048231  -0.05334052 129 ARG   A NH1  
250  N NH2  . ARG   A 17  ? 0.43735111 0.16820173 0.28129116 -0.05654703 0.05684715  -0.03874664 129 ARG   A NH2  
251  H H    . ARG   A 17  ? 0.12687929 0.00674647 0.10194796 -0.00521666 0.00450791  0.00404235  129 ARG   A H    
252  H HA   . ARG   A 17  ? 0.14020677 0.01419760 0.10350110 -0.00842255 -0.00054402 0.01213318  129 ARG   A HA   
253  H HB2  . ARG   A 17  ? 0.18405508 0.02381716 0.11259359 -0.02229807 0.00363618  0.02147805  129 ARG   A HB2  
254  H HB3  . ARG   A 17  ? 0.18320630 0.02317911 0.11062203 -0.02205561 0.00376087  0.02079312  129 ARG   A HB3  
255  H HG2  . ARG   A 17  ? 0.23152623 0.04165871 0.12506783 -0.04201682 0.01300070  0.02507308  129 ARG   A HG2  
256  H HG3  . ARG   A 17  ? 0.23407404 0.04300292 0.12783237 -0.04241111 0.01377982  0.02578911  129 ARG   A HG3  
257  H HD2  . ARG   A 17  ? 0.29545292 0.06435066 0.16202500 -0.05977094 0.01821812  0.04159539  129 ARG   A HD2  
258  H HD3  . ARG   A 17  ? 0.29588020 0.06504947 0.16211130 -0.05971085 0.01751290  0.04097271  129 ARG   A HD3  
259  H HE   . ARG   A 17  ? 0.37140551 0.09406515 0.22437055 -0.05827577 0.02223119  0.03383339  129 ARG   A HE   
260  H HH11 . ARG   A 17  ? 0.47736230 0.17800066 0.34614405 -0.02988625 0.05574019  -0.03881273 129 ARG   A HH11 
261  H HH12 . ARG   A 17  ? 0.47977182 0.17403801 0.33998859 -0.03408371 0.05165887  -0.04077496 129 ARG   A HH12 
262  H HH21 . ARG   A 17  ? 0.43356505 0.17303246 0.28171271 -0.05163414 0.04886339  -0.03408732 129 ARG   A HH21 
263  H HH22 . ARG   A 17  ? 0.42414626 0.16626367 0.27326819 -0.05135471 0.04811605  -0.03189274 129 ARG   A HH22 
264  N N    . MET   A 18  ? 0.10123141 0.00678300 0.09410024 -0.00628458 -0.00509492 0.00206744  130 MET   A N    
265  C CA   . MET   A 18  ? 0.09580857 0.00658519 0.09544982 0.00118492  -0.00467979 0.00452647  130 MET   A CA   
266  C C    . MET   A 18  ? 0.09061691 0.00645679 0.10212121 0.00138566  -0.00086489 0.00310236  130 MET   A C    
267  O O    . MET   A 18  ? 0.09622080 0.02192477 0.10912621 0.01059244  -0.00655170 -0.01133024 130 MET   A O    
268  C CB   . MET   A 18  ? 0.10336503 0.00737145 0.09527881 0.00220076  -0.00487312 0.00377912  130 MET   A CB   
269  C CG   . MET   A 18  ? 0.11392348 0.02153523 0.08936413 -0.01195789 -0.00792683 -0.00083603 130 MET   A CG   
270  S SD   . MET   A 18  ? 0.12985329 0.06190239 0.09837310 -0.01996101 -0.00934627 -0.00122567 130 MET   A SD   
271  C CE   . MET   A 18  ? 0.13989721 0.05850996 0.10256130 -0.01635255 0.00219058  -0.00652888 130 MET   A CE   
272  H H    . MET   A 18  ? 0.10213211 0.00678158 0.09471075 -0.00375300 -0.00615624 0.00539547  130 MET   A H    
273  H HA   . MET   A 18  ? 0.09656191 0.00649616 0.09698464 0.00056000  -0.00474567 0.00377483  130 MET   A HA   
274  H HB2  . MET   A 18  ? 0.10378982 0.00811906 0.09391127 -0.00101844 -0.00558717 0.00301015  130 MET   A HB2  
275  H HB3  . MET   A 18  ? 0.10297539 0.00787824 0.09379145 -0.00054413 -0.00589861 0.00326736  130 MET   A HB3  
276  H HG2  . MET   A 18  ? 0.11329953 0.02149033 0.09199432 -0.00919632 -0.00718812 -0.00021350 130 MET   A HG2  
277  H HG3  . MET   A 18  ? 0.11379065 0.02304634 0.09219009 -0.00952493 -0.00706342 0.00013241  130 MET   A HG3  
278  H HE1  . MET   A 18  ? 0.13746031 0.05916234 0.10166712 -0.01736172 -0.00061869 -0.00540100 130 MET   A HE1  
279  H HE2  . MET   A 18  ? 0.13742992 0.05814863 0.10135464 -0.01720176 -0.00052812 -0.00579803 130 MET   A HE2  
280  H HE3  . MET   A 18  ? 0.13827361 0.05939363 0.10178417 -0.01779664 -0.00012687 -0.00563923 130 MET   A HE3  
281  N N    . LEU   A 19  ? 0.09706070 0.00769267 0.11584470 0.00503944  -0.00213578 -0.01099230 131 LEU   A N    
282  C CA   . LEU   A 19  ? 0.11133941 0.00792371 0.11803177 0.00281462  -0.00118849 -0.01304259 131 LEU   A CA   
283  C C    . LEU   A 19  ? 0.09950469 0.00686375 0.12134196 0.00448328  0.00159486  -0.00594556 131 LEU   A C    
284  O O    . LEU   A 19  ? 0.09657999 0.00907820 0.14819609 0.00690401  -0.00397832 0.00056555  131 LEU   A O    
285  C CB   . LEU   A 19  ? 0.13126051 0.01520429 0.12529218 0.00856628  -0.00885484 -0.01176676 131 LEU   A CB   
286  C CG   . LEU   A 19  ? 0.17355245 0.03215917 0.12799205 0.00083695  -0.01768631 -0.01789366 131 LEU   A CG   
287  C CD1  . LEU   A 19  ? 0.18421061 0.03540217 0.12751748 0.00142495  -0.00757421 -0.01575182 131 LEU   A CD1  
288  C CD2  . LEU   A 19  ? 0.20523904 0.05497866 0.14587915 0.01341185  -0.02564941 -0.01169007 131 LEU   A CD2  
289  H H    . LEU   A 19  ? 0.09636921 0.00713582 0.11254771 0.00469431  -0.00173016 -0.00779084 131 LEU   A H    
290  H HA   . LEU   A 19  ? 0.10977581 0.00761087 0.11878146 0.00398469  -0.00187512 -0.01131690 131 LEU   A HA   
291  H HB2  . LEU   A 19  ? 0.13328114 0.01000613 0.12369588 0.00669270  -0.00896542 -0.01447290 131 LEU   A HB2  
292  H HB3  . LEU   A 19  ? 0.13174734 0.00918169 0.12361996 0.00635903  -0.00858410 -0.01404858 131 LEU   A HB3  
293  H HG   . LEU   A 19  ? 0.16891834 0.03163997 0.12964460 0.00499058  -0.01519414 -0.01533100 131 LEU   A HG   
294  H HD11 . LEU   A 19  ? 0.17931838 0.03375226 0.12827660 0.00126498  -0.01025506 -0.01657567 131 LEU   A HD11 
295  H HD12 . LEU   A 19  ? 0.18008588 0.03483214 0.12826163 0.00137319  -0.01055375 -0.01594394 131 LEU   A HD12 
296  H HD13 . LEU   A 19  ? 0.18062021 0.03458140 0.12794305 0.00150478  -0.01061643 -0.01643807 131 LEU   A HD13 
297  H HD21 . LEU   A 19  ? 0.19712467 0.04890116 0.14013687 0.00855814  -0.02357469 -0.01315037 131 LEU   A HD21 
298  H HD22 . LEU   A 19  ? 0.19666898 0.05079042 0.14084038 0.01174544  -0.02455498 -0.01456504 131 LEU   A HD22 
299  H HD23 . LEU   A 19  ? 0.19473925 0.05214130 0.14227089 0.00975316  -0.02323288 -0.01035419 131 LEU   A HD23 
300  N N    . ILE   A 20  ? 0.08972584 0.00806477 0.11253662 0.00587862  0.00747897  -0.01126553 132 ILE   A N    
301  C CA   . ILE   A 20  ? 0.08666053 0.00755230 0.11970672 0.00329729  0.01154298  -0.01053250 132 ILE   A CA   
302  C C    . ILE   A 20  ? 0.09287734 0.00899443 0.13581719 0.00088329  0.01809377  -0.01807632 132 ILE   A C    
303  O O    . ILE   A 20  ? 0.09805061 0.02060538 0.18364134 -0.01355911 0.03012765  -0.04977345 132 ILE   A O    
304  C CB   . ILE   A 20  ? 0.10135987 0.03575613 0.13179360 0.00717306  0.00198623  0.00745417  132 ILE   A CB   
305  C CG1  . ILE   A 20  ? 0.12739682 0.08201338 0.12340146 0.01415030  0.00136477  0.00312559  132 ILE   A CG1  
306  C CG2  . ILE   A 20  ? 0.12899978 0.06209038 0.13591321 -0.00321195 -0.00168315 0.02171778  132 ILE   A CG2  
307  C CD1  . ILE   A 20  ? 0.15298121 0.07058457 0.13415965 0.00524299  0.00304748  0.00951889  132 ILE   A CD1  
308  H H    . ILE   A 20  ? 0.09026125 0.00765011 0.11601775 0.00517815  0.00701071  -0.01000228 132 ILE   A H    
309  H HA   . ILE   A 20  ? 0.08882467 0.00761809 0.12263666 0.00475478  0.01059342  -0.01017167 132 ILE   A HA   
310  H HB   . ILE   A 20  ? 0.10287929 0.03429364 0.12758255 0.00613248  0.00368740  0.00442003  132 ILE   A HB   
311  H HG12 . ILE   A 20  ? 0.12473688 0.06627994 0.12810422 0.00986271  0.00210846  0.00545945  132 ILE   A HG12 
312  H HG13 . ILE   A 20  ? 0.12531586 0.06717328 0.12821998 0.00791762  0.00311654  0.00387713  132 ILE   A HG13 
313  H HG21 . ILE   A 20  ? 0.12034725 0.05366995 0.13488463 0.00001771  -0.00041934 0.01733121  132 ILE   A HG21 
314  H HG22 . ILE   A 20  ? 0.12452614 0.05434165 0.13502264 -0.00192611 -0.00100725 0.01782003  132 ILE   A HG22 
315  H HG23 . ILE   A 20  ? 0.11999430 0.05645715 0.13669540 0.00005011  -0.00026565 0.01983935  132 ILE   A HG23 
316  H HD11 . ILE   A 20  ? 0.14507203 0.07465608 0.13143300 0.00789989  0.00241602  0.00732551  132 ILE   A HD11 
317  H HD12 . ILE   A 20  ? 0.14500639 0.07491015 0.13120951 0.00784235  0.00258582  0.00773009  132 ILE   A HD12 
318  H HD13 . ILE   A 20  ? 0.14551787 0.07537562 0.13118145 0.00721370  0.00289015  0.00710012  132 ILE   A HD13 
319  N N    . THR   A 21  ? 0.09677399 0.01105192 0.14437142 -0.00197666 0.01533563  -0.02550116 133 THR   A N    
320  C CA   . THR   A 21  ? 0.10435916 0.01441106 0.15144627 -0.00338668 0.01364946  -0.03423818 133 THR   A CA   
321  C C    . THR   A 21  ? 0.10343029 0.01244363 0.15222995 -0.00658439 0.02008111  -0.02969749 133 THR   A C    
322  O O    . THR   A 21  ? 0.11285669 0.01539462 0.18232742 -0.01543734 0.03539314  -0.03860873 133 THR   A O    
323  C CB   . THR   A 21  ? 0.12755826 0.02836738 0.15306261 -0.01218979 0.01118565  -0.03611632 133 THR   A CB   
324  O OG1  . THR   A 21  ? 0.14131947 0.03132745 0.15427779 -0.01014181 0.00781213  -0.02110122 133 THR   A OG1  
325  C CG2  . THR   A 21  ? 0.13287377 0.04189631 0.15220128 -0.01354272 0.00976837  -0.04039313 133 THR   A CG2  
326  H H    . THR   A 21  ? 0.09708611 0.01104454 0.14338435 -0.00139053 0.01575365  -0.02534183 133 THR   A H    
327  H HA   . THR   A 21  ? 0.10447597 0.01361812 0.14937901 -0.00465335 0.01535164  -0.03224998 133 THR   A HA   
328  H HB   . THR   A 21  ? 0.12645587 0.02278504 0.15252315 -0.01084949 0.01022607  -0.03489118 133 THR   A HB   
329  H HG1  . THR   A 21  ? 0.10943954 0.10943954 0.10943954 0.00000000  0.00000000  0.00000000  133 THR   A HG1  
330  H HG21 . THR   A 21  ? 0.13169242 0.03806159 0.15292887 -0.01310807 0.01025406  -0.03937674 133 THR   A HG21 
331  H HG22 . THR   A 21  ? 0.13221817 0.03810991 0.15274999 -0.01330038 0.00984358  -0.03911971 133 THR   A HG22 
332  H HG23 . THR   A 21  ? 0.13197571 0.03865032 0.15290743 -0.01228510 0.00975059  -0.03968873 133 THR   A HG23 
333  N N    . ILE   A 22  ? 0.10042700 0.01345600 0.11972012 -0.00499923 0.01890525  -0.02841866 134 ILE   A N    
334  C CA   . ILE   A 22  ? 0.10422950 0.01425314 0.10221197 -0.00901098 0.01934655  -0.02733034 134 ILE   A CA   
335  C C    . ILE   A 22  ? 0.10607504 0.01212379 0.10065490 -0.00787144 0.01630522  -0.02305523 134 ILE   A C    
336  O O    . ILE   A 22  ? 0.10732344 0.02058607 0.11477950 -0.01918282 0.01961166  -0.03704467 134 ILE   A O    
337  C CB   . ILE   A 22  ? 0.11985765 0.02203432 0.10894182 -0.00846856 0.01947060  -0.02288119 134 ILE   A CB   
338  C CG1  . ILE   A 22  ? 0.14294717 0.06212733 0.11129284 -0.00591156 0.01793945  -0.02827717 134 ILE   A CG1  
339  C CG2  . ILE   A 22  ? 0.12090722 0.02883685 0.11744432 -0.00758873 0.01995005  -0.01614704 134 ILE   A CG2  
340  C CD1  . ILE   A 22  ? 0.16228023 0.10506925 0.15359730 -0.00428801 0.00988939  -0.02194778 134 ILE   A CD1  
341  H H    . ILE   A 22  ? 0.10130455 0.01339399 0.12178685 -0.00625649 0.01958232  -0.02850831 134 ILE   A H    
342  H HA   . ILE   A 22  ? 0.10493509 0.01342078 0.10608526 -0.00768775 0.01922542  -0.02645793 134 ILE   A HA   
343  H HB   . ILE   A 22  ? 0.11908469 0.02343519 0.10875842 -0.00835380 0.01898379  -0.02424895 134 ILE   A HB   
344  H HG12 . ILE   A 22  ? 0.13820691 0.05527292 0.11705137 -0.00663362 0.01710414  -0.02588442 134 ILE   A HG12 
345  H HG13 . ILE   A 22  ? 0.13916190 0.05570348 0.11650039 -0.00751684 0.01666712  -0.02535122 134 ILE   A HG13 
346  H HG21 . ILE   A 22  ? 0.12081514 0.02706323 0.11520626 -0.00782174 0.01988644  -0.01792755 134 ILE   A HG21 
347  H HG22 . ILE   A 22  ? 0.12100661 0.02693425 0.11525564 -0.00786939 0.01968654  -0.01782346 134 ILE   A HG22 
348  H HG23 . ILE   A 22  ? 0.12068345 0.02766431 0.11647246 -0.00753556 0.02017713  -0.01676099 134 ILE   A HG23 
349  H HD11 . ILE   A 22  ? 0.15500063 0.09102838 0.14239031 -0.00585767 0.01362391  -0.02646545 134 ILE   A HD11 
350  H HD12 . ILE   A 22  ? 0.15576085 0.09174257 0.14513507 -0.00462174 0.01452755  -0.02011138 134 ILE   A HD12 
351  H HD13 . ILE   A 22  ? 0.15863931 0.09173733 0.13958436 -0.00804730 0.01233312  -0.02304504 134 ILE   A HD13 
352  N N    . LEU   A 23  ? 0.10485367 0.00930552 0.09786177 -0.00476616 0.00987669  -0.01623502 135 LEU   A N    
353  C CA   . LEU   A 23  ? 0.11530302 0.00771623 0.08996765 -0.00279944 0.00767756  -0.01063734 135 LEU   A CA   
354  C C    . LEU   A 23  ? 0.11287585 0.00847430 0.08106366 -0.00483685 0.00808920  -0.01230295 135 LEU   A C    
355  O O    . LEU   A 23  ? 0.11415039 0.00796251 0.09430347 -0.00459383 0.01628449  -0.01176806 135 LEU   A O    
356  C CB   . LEU   A 23  ? 0.12425356 0.03707236 0.11746021 0.00277643  0.00308135  -0.00050667 135 LEU   A CB   
357  C CG   . LEU   A 23  ? 0.16505793 0.04142878 0.14212605 0.01492279  -0.00352275 0.00318653  135 LEU   A CG   
358  C CD1  . LEU   A 23  ? 0.18973285 0.10477060 0.14517868 0.03390421  -0.00237940 0.00764521  135 LEU   A CD1  
359  C CD2  . LEU   A 23  ? 0.18923010 0.11614305 0.17032897 0.03537323  0.01116304  0.04644861  135 LEU   A CD2  
360  H H    . LEU   A 23  ? 0.10733126 0.00951139 0.09695669 -0.00509799 0.01098507  -0.01671817 135 LEU   A H    
361  H HA   . LEU   A 23  ? 0.11370566 0.00787667 0.09273952 -0.00302142 0.00780026  -0.01141081 135 LEU   A HA   
362  H HB2  . LEU   A 23  ? 0.12778284 0.02507734 0.11222293 0.00326269  0.00284761  -0.00260502 135 LEU   A HB2  
363  H HB3  . LEU   A 23  ? 0.12735003 0.02699254 0.11327373 0.00475136  0.00464300  -0.00037644 135 LEU   A HB3  
364  H HG   . LEU   A 23  ? 0.15636769 0.05149870 0.13506241 0.01618663  -0.00123500 0.00709441  135 LEU   A HG   
365  H HD11 . LEU   A 23  ? 0.18183294 0.08296871 0.14698325 0.02833929  -0.00309759 0.00600821  135 LEU   A HD11 
366  H HD12 . LEU   A 23  ? 0.18147723 0.08868740 0.14834708 0.03041627  -0.00366132 0.00203661  135 LEU   A HD12 
367  H HD13 . LEU   A 23  ? 0.18275727 0.08511568 0.14814322 0.03084292  -0.00044777 0.00839213  135 LEU   A HD13 
368  H HD21 . LEU   A 23  ? 0.18041414 0.08184893 0.15691964 0.02691042  0.00850159  0.02927871  135 LEU   A HD21 
369  H HD22 . LEU   A 23  ? 0.18148002 0.09069111 0.16374129 0.03313508  0.01084723  0.03680335  135 LEU   A HD22 
370  H HD23 . LEU   A 23  ? 0.17925556 0.09076017 0.16085728 0.03004944  0.00633825  0.02626497  135 LEU   A HD23 
371  N N    . GLY   A 24  ? 0.12241694 0.00890036 0.07790143 -0.01177132 0.01888357  -0.01161653 136 GLY   A N    
372  C CA   . GLY   A 24  ? 0.13938940 0.00925186 0.09090885 -0.01313729 0.02740284  -0.01402113 136 GLY   A CA   
373  C C    . GLY   A 24  ? 0.14145075 0.00970697 0.09450849 -0.01668278 0.02962740  -0.01402020 136 GLY   A C    
374  O O    . GLY   A 24  ? 0.17095286 0.01038705 0.09401450 -0.01521719 0.03372009  -0.01774153 136 GLY   A O    
375  H H    . GLY   A 24  ? 0.12216629 0.00880266 0.08018871 -0.01034185 0.01874103  -0.01213962 136 GLY   A H    
376  H HA2  . GLY   A 24  ? 0.13614391 0.00924436 0.08826993 -0.01355158 0.02549292  -0.01339302 136 GLY   A HA2  
377  H HA3  . GLY   A 24  ? 0.13574110 0.00928842 0.08937834 -0.01360702 0.02618055  -0.01364197 136 GLY   A HA3  
378  N N    . THR   A 25  ? 0.12778243 0.00815888 0.08609061 -0.00836839 0.02433760  -0.01135043 137 THR   A N    
379  C CA   . THR   A 25  ? 0.13023165 0.01009246 0.08454829 -0.00532696 0.01668457  -0.01709519 137 THR   A CA   
380  C C    . THR   A 25  ? 0.12744503 0.00979031 0.08145247 -0.00438494 0.01578823  -0.01609667 137 THR   A C    
381  O O    . THR   A 25  ? 0.13790920 0.03281870 0.09155507 0.00250500  0.02191928  -0.00496181 137 THR   A O    
382  C CB   . THR   A 25  ? 0.13793670 0.02362947 0.11152167 -0.01086923 0.00538104  -0.01572034 137 THR   A CB   
383  O OG1  . THR   A 25  ? 0.16077498 0.06132562 0.17635973 -0.00238022 -0.02099364 -0.01278852 137 THR   A OG1  
384  C CG2  . THR   A 25  ? 0.13987540 0.03715874 0.11193189 -0.01446243 0.00443665  -0.02545715 137 THR   A CG2  
385  H H    . THR   A 25  ? 0.13112949 0.00872071 0.08626213 -0.00971816 0.02427952  -0.01296708 137 THR   A H    
386  H HA   . THR   A 25  ? 0.13001652 0.00946700 0.08753642 -0.00676849 0.01640817  -0.01567732 137 THR   A HA   
387  H HB   . THR   A 25  ? 0.13823955 0.02361849 0.11085943 -0.00947434 0.00473525  -0.01776127 137 THR   A HB   
388  H HG1  . THR   A 25  ? 0.13469385 0.13469385 0.13469385 0.00000000  0.00000000  0.00000000  137 THR   A HG1  
389  H HG21 . THR   A 25  ? 0.13915509 0.03322546 0.11195711 -0.01363473 0.00465970  -0.02280058 137 THR   A HG21 
390  H HG22 . THR   A 25  ? 0.13948944 0.03319398 0.11222968 -0.01333853 0.00439102  -0.02286946 137 THR   A HG22 
391  H HG23 . THR   A 25  ? 0.13975173 0.03397657 0.11244416 -0.01408870 0.00533581  -0.02344814 137 THR   A HG23 
392  N N    . VAL   A 26  ? 0.12739718 0.00824689 0.09295015 -0.00820615 0.01107822  -0.01153305 138 VAL   A N    
393  C CA   . VAL   A 26  ? 0.12641062 0.01763608 0.09529651 -0.00292635 0.00277989  -0.01543987 138 VAL   A CA   
394  C C    . VAL   A 26  ? 0.13224542 0.00952979 0.08702181 -0.00046059 -0.00368166 -0.00935329 138 VAL   A C    
395  O O    . VAL   A 26  ? 0.15793724 0.02537387 0.09516387 -0.00825145 -0.01476198 -0.01119156 138 VAL   A O    
396  C CB   . VAL   A 26  ? 0.12151766 0.03163753 0.10935903 0.00476474  0.00325429  -0.02368168 138 VAL   A CB   
397  C CG1  . VAL   A 26  ? 0.11966705 0.05411913 0.11299531 0.01383803  0.00320280  -0.02593968 138 VAL   A CG1  
398  C CG2  . VAL   A 26  ? 0.12896022 0.04058249 0.15318106 0.00649566  0.00987937  -0.02374800 138 VAL   A CG2  
399  H H    . VAL   A 26  ? 0.12713310 0.00874724 0.09066144 -0.00620759 0.01063049  -0.01376608 138 VAL   A H    
400  H HA   . VAL   A 26  ? 0.12716950 0.01378158 0.09522675 -0.00238620 0.00328036  -0.01506614 138 VAL   A HA   
401  H HB   . VAL   A 26  ? 0.12334912 0.03294275 0.11046702 0.00500728  0.00392583  -0.02317185 138 VAL   A HB   
402  H HG11 . VAL   A 26  ? 0.12061757 0.04777648 0.11243837 0.01149479  0.00328563  -0.02486728 138 VAL   A HG11 
403  H HG12 . VAL   A 26  ? 0.12188680 0.05121297 0.11189228 0.01305177  0.00324361  -0.02452374 138 VAL   A HG12 
404  H HG13 . VAL   A 26  ? 0.12038931 0.04767019 0.11200447 0.01146910  0.00338226  -0.02501731 138 VAL   A HG13 
405  H HG21 . VAL   A 26  ? 0.12762929 0.03781608 0.13824862 0.00542523  0.00761964  -0.02322214 138 VAL   A HG21 
406  H HG22 . VAL   A 26  ? 0.12792911 0.03826311 0.13877353 0.00404235  0.00907151  -0.02433676 138 VAL   A HG22 
407  H HG23 . VAL   A 26  ? 0.12680572 0.03889710 0.14297548 0.00562058  0.00819845  -0.02086670 138 VAL   A HG23 
408  N N    . LYS   A 27  ? 0.14005329 0.01281649 0.08983635 0.00105245  -0.00787197 -0.01190769 139 LYS   A N    
409  C CA   . LYS   A 27  ? 0.16130295 0.02356028 0.10565117 -0.01062069 0.00150251  -0.00469169 139 LYS   A CA   
410  C C    . LYS   A 27  ? 0.15493773 0.01337509 0.12463146 -0.00881951 -0.00188929 -0.01058269 139 LYS   A C    
411  O O    . LYS   A 27  ? 0.16025497 0.01894428 0.13097484 -0.01307651 0.00699015  -0.02074365 139 LYS   A O    
412  C CB   . LYS   A 27  ? 0.18816207 0.03518691 0.11907762 -0.01857307 0.01099751  0.00668218  139 LYS   A CB   
413  C CG   . LYS   A 27  ? 0.21499939 0.08294749 0.14101316 -0.01874537 0.02143226  0.00731916  139 LYS   A CG   
414  C CD   . LYS   A 27  ? 0.24877214 0.14670280 0.18289599 -0.03025450 0.02918266  0.02146928  139 LYS   A CD   
415  C CE   . LYS   A 27  ? 0.29514137 0.20740134 0.21854602 -0.02041910 0.05677740  0.02774527  139 LYS   A CE   
416  N NZ   . LYS   A 27  ? 0.34492996 0.29679596 0.26281491 -0.01798120 0.05497262  0.05924900  139 LYS   A NZ   
417  H H    . LYS   A 27  ? 0.14129910 0.01351829 0.09000377 -0.00220966 -0.00568783 -0.01079099 139 LYS   A H    
418  H HA   . LYS   A 27  ? 0.15914673 0.02081995 0.10741644 -0.00891980 0.00034911  -0.00608133 139 LYS   A HA   
419  H HB2  . LYS   A 27  ? 0.18470640 0.03748697 0.11824686 -0.01622420 0.01085578  0.00375514  139 LYS   A HB2  
420  H HB3  . LYS   A 27  ? 0.18523404 0.03482790 0.11916123 -0.01692553 0.01063918  0.00382842  139 LYS   A HB3  
421  H HG2  . LYS   A 27  ? 0.21190052 0.07600781 0.13932319 -0.02005293 0.02062610  0.00969396  139 LYS   A HG2  
422  H HG3  . LYS   A 27  ? 0.21046551 0.08127260 0.13878688 -0.01881032 0.01985021  0.00966164  139 LYS   A HG3  
423  H HD2  . LYS   A 27  ? 0.24494487 0.13511352 0.17398867 -0.02463226 0.03258633  0.01883180  139 LYS   A HD2  
424  H HD3  . LYS   A 27  ? 0.24454752 0.14084911 0.17381093 -0.02346534 0.03226931  0.01895123  139 LYS   A HD3  
425  H HE2  . LYS   A 27  ? 0.29123777 0.20027608 0.21355976 -0.02153111 0.05098900  0.03212633  139 LYS   A HE2  
426  H HE3  . LYS   A 27  ? 0.28677541 0.20431529 0.21223316 -0.02091432 0.04884148  0.03158122  139 LYS   A HE3  
427  H HZ1  . LYS   A 27  ? 0.32687896 0.27973559 0.24446115 -0.01563462 0.05475444  0.04905274  139 LYS   A HZ1  
428  H HZ2  . LYS   A 27  ? 0.33272544 0.26294279 0.24588001 -0.01764826 0.05776514  0.04917906  139 LYS   A HZ2  
429  H HZ3  . LYS   A 27  ? 0.33395416 0.26770464 0.24943596 -0.02253121 0.05033337  0.05202063  139 LYS   A HZ3  
430  N N    . PRO   A 28  ? 0.18075660 0.04352136 0.16267890 -0.02016978 -0.01759338 -0.03641457 140 PRO   A N    
431  C CA   . PRO   A 28  ? 0.21227819 0.03723715 0.19876626 -0.00786770 -0.02438051 -0.04635096 140 PRO   A CA   
432  C C    . PRO   A 28  ? 0.24136555 0.04686112 0.26660904 -0.03321408 -0.03241526 -0.03870157 140 PRO   A C    
433  O O    . PRO   A 28  ? 0.26055324 0.08875620 0.35568205 0.00691367  0.02375075  -0.03783204 140 PRO   A O    
434  C CB   . PRO   A 28  ? 0.21478888 0.06931079 0.22334044 -0.01171019 -0.05062515 -0.06682869 140 PRO   A CB   
435  C CG   . PRO   A 28  ? 0.22223052 0.12428501 0.24358959 -0.02601451 -0.03423443 -0.06461302 140 PRO   A CG   
436  C CD   . PRO   A 28  ? 0.19376960 0.08171318 0.21036696 -0.01943736 -0.01875598 -0.04442400 140 PRO   A CD   
437  H HA   . PRO   A 28  ? 0.20887679 0.04528634 0.20196164 -0.01524887 -0.02780491 -0.04533920 140 PRO   A HA   
438  H HB2  . PRO   A 28  ? 0.21567796 0.07225789 0.22160275 -0.01381978 -0.04060914 -0.06173424 140 PRO   A HB2  
439  H HB3  . PRO   A 28  ? 0.21555084 0.07157663 0.22091869 -0.01360225 -0.04072521 -0.06136580 140 PRO   A HB3  
440  H HG2  . PRO   A 28  ? 0.21645339 0.10308110 0.23202293 -0.01763232 -0.03551190 -0.06248412 140 PRO   A HG2  
441  H HG3  . PRO   A 28  ? 0.21508437 0.10111080 0.23575705 -0.02153558 -0.03167963 -0.06305864 140 PRO   A HG3  
442  H HD2  . PRO   A 28  ? 0.19682635 0.07836035 0.20408322 -0.02050765 -0.02121649 -0.04632992 140 PRO   A HD2  
443  H HD3  . PRO   A 28  ? 0.19495691 0.07756057 0.20007968 -0.02127563 -0.02061371 -0.04538585 140 PRO   A HD3  
444  N N    . ASN   A 29  ? 0.28533882 0.01566516 0.28397593 -0.04778595 -0.10297859 0.00681819  141 ASN   A N    
445  C CA   . ASN   A 29  ? 0.29724607 0.01168441 0.27175286 -0.02649704 -0.08751533 -0.01480764 141 ASN   A CA   
446  C C    . ASN   A 29  ? 0.23546311 0.01236674 0.19755802 -0.01387543 -0.05174811 -0.00400364 141 ASN   A C    
447  O O    . ASN   A 29  ? 0.23560983 0.01934282 0.18902551 -0.00238237 -0.03379080 0.01780246  141 ASN   A O    
448  C CB   . ASN   A 29  ? 0.33761013 0.03710793 0.32941836 -0.02375592 -0.10188906 0.01938864  141 ASN   A CB   
449  C CG   . ASN   A 29  ? 0.40666279 0.08129106 0.40304935 -0.03247697 -0.10750240 -0.01137368 141 ASN   A CG   
450  O OD1  . ASN   A 29  ? 0.47180444 0.25860077 0.52544558 -0.03389463 -0.14453727 -0.01657177 141 ASN   A OD1  
451  N ND2  . ASN   A 29  ? 0.48290691 0.10014842 0.43699300 -0.03152286 -0.09762378 -0.03405949 141 ASN   A ND2  
452  H H    . ASN   A 29  ? 0.28106940 0.01994643 0.27879134 -0.04211738 -0.08577491 -0.00749002 141 ASN   A H    
453  H HA   . ASN   A 29  ? 0.28703475 0.01607766 0.26663360 -0.02708079 -0.08396263 -0.00316293 141 ASN   A HA   
454  H HB2  . ASN   A 29  ? 0.33736399 0.03709241 0.32503662 -0.02567030 -0.10021425 0.00528818  141 ASN   A HB2  
455  H HB3  . ASN   A 29  ? 0.33325639 0.03589531 0.32184130 -0.02410148 -0.09949214 0.00574877  141 ASN   A HB3  
456  H HD21 . ASN   A 29  ? 0.46494088 0.09393623 0.42112216 -0.02723568 -0.09922393 -0.02423627 141 ASN   A HD21 
457  H HD22 . ASN   A 29  ? 0.45933607 0.09685577 0.42777231 -0.02942307 -0.09896851 -0.02364184 141 ASN   A HD22 
458  N N    . ALA   A 30  ? 0.21531662 0.01276261 0.16068253 -0.01589976 -0.04228532 -0.00769954 142 ALA   A N    
459  C CA   . ALA   A 30  ? 0.17933837 0.02749141 0.13728715 -0.00484838 -0.02279183 -0.01223281 142 ALA   A CA   
460  C C    . ALA   A 30  ? 0.17277266 0.00741929 0.12702243 0.00456234  -0.00468390 -0.01089557 142 ALA   A C    
461  O O    . ALA   A 30  ? 0.18172948 0.03545665 0.11925896 -0.01060547 0.00452233  -0.01794095 142 ALA   A O    
462  C CB   . ALA   A 30  ? 0.18048039 0.03009973 0.13832667 -0.00453173 -0.02813984 -0.00588296 142 ALA   A CB   
463  H H    . ALA   A 30  ? 0.21043803 0.01645305 0.16153726 -0.01273770 -0.04008138 -0.00762888 142 ALA   A H    
464  H HA   . ALA   A 30  ? 0.18360947 0.02074977 0.13862151 -0.00458466 -0.02251272 -0.01008594 142 ALA   A HA   
465  H HB1  . ALA   A 30  ? 0.17994353 0.02942112 0.13821812 -0.00449126 -0.02662387 -0.00764579 142 ALA   A HB1  
466  H HB2  . ALA   A 30  ? 0.18032436 0.02943394 0.13856967 -0.00453763 -0.02680519 -0.00766728 142 ALA   A HB2  
467  H HB3  . ALA   A 30  ? 0.18025649 0.02984696 0.13863027 -0.00433655 -0.02636388 -0.00725448 142 ALA   A HB3  
468  N N    . ASN   A 31  ? 0.15208238 0.00795971 0.12624057 0.00479441  -0.00521811 -0.01343509 143 ASN   A N    
469  C CA   . ASN   A 31  ? 0.14683188 0.00753660 0.12278393 0.01047951  0.00445756  -0.00667647 143 ASN   A CA   
470  C C    . ASN   A 31  ? 0.12715271 0.00723992 0.10998358 0.00850814  0.00221626  -0.00549467 143 ASN   A C    
471  O O    . ASN   A 31  ? 0.12684707 0.01240521 0.10995530 0.01262966  0.00469116  -0.01029058 143 ASN   A O    
472  C CB   . ASN   A 31  ? 0.17085987 0.02648278 0.13597365 0.01568691  0.00608444  0.00578647  143 ASN   A CB   
473  C CG   . ASN   A 31  ? 0.24104421 0.03707264 0.17850135 0.00347439  0.02890498  0.00305893  143 ASN   A CG   
474  O OD1  . ASN   A 31  ? 0.32930782 0.06894050 0.23873678 0.01341325  0.06834987  -0.01400733 143 ASN   A OD1  
475  N ND2  . ASN   A 31  ? 0.27902865 0.06928421 0.23678699 -0.03143889 0.03646886  -0.01058701 143 ASN   A ND2  
476  H H    . ASN   A 31  ? 0.15508896 0.00762659 0.12572423 0.00614309  -0.00288005 -0.01126104 143 ASN   A H    
477  H HA   . ASN   A 31  ? 0.14531043 0.00753859 0.12089787 0.01025747  0.00340878  -0.00691731 143 ASN   A HA   
478  H HB2  . ASN   A 31  ? 0.17247745 0.01518803 0.13804209 0.01169557  0.00851098  0.00198117  143 ASN   A HB2  
479  H HB3  . ASN   A 31  ? 0.17012890 0.01438386 0.13635807 0.01243694  0.00880425  0.00149115  143 ASN   A HB3  
480  H HD21 . ASN   A 31  ? 0.26474652 0.06027216 0.21863915 -0.02091720 0.02901518  -0.00039882 143 ASN   A HD21 
481  H HD22 . ASN   A 31  ? 0.26537910 0.06026742 0.21607117 -0.01829140 0.03308382  -0.00392436 143 ASN   A HD22 
482  N N    . ARG   A 32  ? 0.12484349 0.00820670 0.11902080 -0.00082311 0.01278684  -0.01450988 144 ARG   A N    
483  C CA   . ARG   A 32  ? 0.11880252 0.01090442 0.12500416 -0.00011514 0.00700199  -0.02325666 144 ARG   A CA   
484  C C    . ARG   A 32  ? 0.11168180 0.01124659 0.13174170 -0.00099359 0.00683270  -0.02482147 144 ARG   A C    
485  O O    . ARG   A 32  ? 0.11775790 0.01093990 0.16226572 -0.00307852 0.01685261  -0.02680268 144 ARG   A O    
486  C CB   . ARG   A 32  ? 0.14612634 0.02275047 0.13681945 -0.00216428 -0.00186352 -0.02633064 144 ARG   A CB   
487  C CG   . ARG   A 32  ? 0.18145877 0.03683505 0.14761533 -0.00288250 0.00365186  -0.02097194 144 ARG   A CG   
488  C CD   . ARG   A 32  ? 0.22461638 0.06936910 0.16338438 -0.00214563 0.00589258  -0.01665004 144 ARG   A CD   
489  N NE   . ARG   A 32  ? 0.26927748 0.12094653 0.19749019 -0.00212063 0.01447977  0.00188629  144 ARG   A NE   
490  C CZ   . ARG   A 32  ? 0.31696799 0.24785295 0.21739592 -0.01351740 0.00956418  0.01279767  144 ARG   A CZ   
491  N NH1  . ARG   A 32  ? 0.36944219 0.31985942 0.24337099 -0.00066874 -0.02717089 0.01187145  144 ARG   A NH1  
492  N NH2  . ARG   A 32  ? 0.35061181 0.28684977 0.20714699 -0.00599991 0.02186595  0.00923842  144 ARG   A NH2  
493  H H    . ARG   A 32  ? 0.12431467 0.00818963 0.11848598 0.00168141  0.00870878  -0.01417298 144 ARG   A H    
494  H HA   . ARG   A 32  ? 0.12165159 0.01039667 0.12601033 -0.00069044 0.00716449  -0.02204465 144 ARG   A HA   
495  H HB2  . ARG   A 32  ? 0.14404464 0.01987617 0.13502473 -0.00145506 0.00173986  -0.02466588 144 ARG   A HB2  
496  H HB3  . ARG   A 32  ? 0.14474943 0.01991604 0.13477625 -0.00284479 0.00161053  -0.02496972 144 ARG   A HB3  
497  H HG2  . ARG   A 32  ? 0.17665261 0.03789061 0.14650995 -0.00220770 0.00289289  -0.02117112 144 ARG   A HG2  
498  H HG3  . ARG   A 32  ? 0.17674887 0.03787604 0.14639808 -0.00338045 0.00264326  -0.02154450 144 ARG   A HG3  
499  H HD2  . ARG   A 32  ? 0.21747807 0.06761800 0.16305029 -0.00185436 0.00707949  -0.01392000 144 ARG   A HD2  
500  H HD3  . ARG   A 32  ? 0.21780668 0.06824587 0.16292231 -0.00370589 0.00692952  -0.01446443 144 ARG   A HD3  
501  H HE   . ARG   A 32  ? 0.26440245 0.12093614 0.18913805 -0.00396412 0.01348663  -0.00161045 144 ARG   A HE   
502  H HH11 . ARG   A 32  ? 0.35212162 0.29223338 0.24066122 -0.00557660 -0.01535381 0.01377848  144 ARG   A HH11 
503  H HH12 . ARG   A 32  ? 0.35802388 0.28614384 0.23657483 -0.00706991 -0.02010969 0.01314804  144 ARG   A HH12 
504  H HH21 . ARG   A 32  ? 0.34026301 0.27304843 0.20886637 -0.00830149 0.01799823  0.01073005  144 ARG   A HH21 
505  H HH22 . ARG   A 32  ? 0.34247956 0.26951259 0.21136042 -0.00825280 0.02068297  0.01025547  144 ARG   A HH22 
506  N N    . ILE   A 33  ? 0.10713384 0.01123669 0.11445932 0.00362894  0.00401034  -0.02255751 145 ILE   A N    
507  C CA   . ILE   A 33  ? 0.11099042 0.01281940 0.12160611 0.01007239  0.00257275  -0.02496476 145 ILE   A CA   
508  C C    . ILE   A 33  ? 0.10858493 0.00829837 0.10584727 0.00279570  0.01359487  -0.01321511 145 ILE   A C    
509  O O    . ILE   A 33  ? 0.10242027 0.00887483 0.10643789 -0.00070180 0.00977963  -0.01592868 145 ILE   A O    
510  C CB   . ILE   A 33  ? 0.12799993 0.03087996 0.12520091 0.01539997  -0.01048956 -0.03352761 145 ILE   A CB   
511  C CG1  . ILE   A 33  ? 0.13592917 0.05640901 0.13366988 0.02384260  -0.01833821 -0.04548080 145 ILE   A CG1  
512  C CG2  . ILE   A 33  ? 0.16119367 0.03538982 0.12752603 0.02603000  -0.01672311 -0.02600678 145 ILE   A CG2  
513  C CD1  . ILE   A 33  ? 0.14627749 0.08109032 0.14308313 0.02742858  -0.02740369 -0.04584015 145 ILE   A CD1  
514  H H    . ILE   A 33  ? 0.10819209 0.01142538 0.11967924 0.00380052  0.00458400  -0.02349656 145 ILE   A H    
515  H HA   . ILE   A 33  ? 0.11255112 0.01203754 0.11766124 0.00790412  0.00291869  -0.02364141 145 ILE   A HA   
516  H HB   . ILE   A 33  ? 0.12932910 0.02849759 0.12572190 0.01747431  -0.00973064 -0.03302262 145 ILE   A HB   
517  H HG12 . ILE   A 33  ? 0.13592927 0.05395502 0.13290271 0.02208005  -0.01799145 -0.04208628 145 ILE   A HG12 
518  H HG13 . ILE   A 33  ? 0.13541302 0.05409118 0.13271958 0.02137110  -0.01761005 -0.04192303 145 ILE   A HG13 
519  H HG21 . ILE   A 33  ? 0.15023811 0.03465145 0.12657022 0.02322521  -0.01491973 -0.02793000 145 ILE   A HG21 
520  H HG22 . ILE   A 33  ? 0.15250190 0.03445633 0.12774512 0.02359965  -0.01594763 -0.02825840 145 ILE   A HG22 
521  H HG23 . ILE   A 33  ? 0.15088664 0.03568960 0.12777561 0.02431886  -0.01326410 -0.02654335 145 ILE   A HG23 
522  H HD11 . ILE   A 33  ? 0.14524186 0.07396466 0.14039513 0.02641355  -0.02482992 -0.04549145 145 ILE   A HD11 
523  H HD12 . ILE   A 33  ? 0.14423341 0.07540382 0.14112915 0.02703634  -0.02367220 -0.04424080 145 ILE   A HD12 
524  H HD13 . ILE   A 33  ? 0.14479168 0.07587701 0.14013962 0.02468316  -0.02406343 -0.04551223 145 ILE   A HD13 
525  N N    . ALA   A 34  ? 0.09955115 0.01079129 0.11079209 -0.00443807 0.01672073  -0.02155521 146 ALA   A N    
526  C CA   . ALA   A 34  ? 0.10232852 0.00907839 0.11138782 -0.00004004 0.01110681  -0.01688448 146 ALA   A CA   
527  C C    . ALA   A 34  ? 0.09571336 0.00958860 0.10694188 -0.00108954 0.00903814  -0.01809028 146 ALA   A C    
528  O O    . ALA   A 34  ? 0.10463103 0.00911332 0.13946155 -0.00398882 0.02237570  -0.01921939 146 ALA   A O    
529  C CB   . ALA   A 34  ? 0.11147568 0.01642448 0.11930424 0.00490113  -0.00295163 -0.01142537 146 ALA   A CB   
530  H H    . ALA   A 34  ? 0.10056798 0.00966805 0.10989823 -0.00173619 0.01469015  -0.01856163 146 ALA   A H    
531  H HA   . ALA   A 34  ? 0.10130474 0.00924055 0.11068222 -0.00036458 0.00962707  -0.01737076 146 ALA   A HA   
532  H HB1  . ALA   A 34  ? 0.11069661 0.01124912 0.11678257 0.00211652  0.00148399  -0.01378475 146 ALA   A HB1  
533  H HB2  . ALA   A 34  ? 0.11107681 0.00960565 0.11753453 0.00392616  0.00067825  -0.01403147 146 ALA   A HB2  
534  H HB3  . ALA   A 34  ? 0.11021572 0.01179173 0.11757425 0.00503260  0.00242593  -0.01238706 146 ALA   A HB3  
535  N N    . LEU   A 35  ? 0.09408310 0.00926712 0.08505671 -0.00022713 0.00686274  -0.01516361 147 LEU   A N    
536  C CA   . LEU   A 35  ? 0.09162213 0.01005029 0.08700128 0.00245588  0.00501390  -0.01697644 147 LEU   A CA   
537  C C    . LEU   A 35  ? 0.08512288 0.01028981 0.08985856 -0.00231874 0.00573675  -0.01814675 147 LEU   A C    
538  O O    . LEU   A 35  ? 0.08886292 0.04417166 0.10701890 -0.00056541 0.00145453  -0.03719036 147 LEU   A O    
539  C CB   . LEU   A 35  ? 0.10907143 0.01315365 0.09712867 0.00257006  0.00452630  -0.00493021 147 LEU   A CB   
540  C CG   . LEU   A 35  ? 0.16980457 0.05969804 0.11291555 -0.01682440 0.00226499  -0.00194461 147 LEU   A CG   
541  C CD1  . LEU   A 35  ? 0.21085335 0.07155080 0.12682241 -0.01528632 0.01458631  0.00799768  147 LEU   A CD1  
542  C CD2  . LEU   A 35  ? 0.18706653 0.11511217 0.13222080 0.00075719  -0.00037617 0.00967166  147 LEU   A CD2  
543  H H    . LEU   A 35  ? 0.09370159 0.00949926 0.09021561 0.00018637  0.00706195  -0.01622649 147 LEU   A H    
544  H HA   . LEU   A 35  ? 0.09285997 0.00931484 0.08892965 0.00093160  0.00565735  -0.01557227 147 LEU   A HA   
545  H HB2  . LEU   A 35  ? 0.10961448 0.01380308 0.09514856 -0.00030161 0.00436213  -0.00876386 147 LEU   A HB2  
546  H HB3  . LEU   A 35  ? 0.11011871 0.01410210 0.09522705 -0.00024529 0.00435567  -0.00868771 147 LEU   A HB3  
547  H HG   . LEU   A 35  ? 0.15710862 0.05735621 0.11256214 -0.01112885 0.00334726  0.00312600  147 LEU   A HG   
548  H HD11 . LEU   A 35  ? 0.20061395 0.06798557 0.12280899 -0.01545600 0.00996882  0.00515895  147 LEU   A HD11 
549  H HD12 . LEU   A 35  ? 0.19748685 0.06848720 0.12623906 -0.01519040 0.01240528  0.00614468  147 LEU   A HD12 
550  H HD13 . LEU   A 35  ? 0.19699523 0.07055988 0.12311786 -0.01674889 0.01017816  0.00622482  147 LEU   A HD13 
551  H HD21 . LEU   A 35  ? 0.17725676 0.09690066 0.12814978 -0.00443290 -0.00046050 0.00045295  147 LEU   A HD21 
552  H HD22 . LEU   A 35  ? 0.18080224 0.09970389 0.12766913 -0.00853552 -0.00094301 0.00776403  147 LEU   A HD22 
553  H HD23 . LEU   A 35  ? 0.18068744 0.09428416 0.12942053 -0.00565289 0.00205921  0.00572224  147 LEU   A HD23 
554  N N    . ASP   A 36  ? 0.07936553 0.01017389 0.09085765 -0.00206439 0.00360401  -0.01796469 148 ASP   A N    
555  C CA   . ASP   A 36  ? 0.08409737 0.00962997 0.09220253 -0.00300389 0.00294508  -0.01663122 148 ASP   A CA   
556  C C    . ASP   A 36  ? 0.08186156 0.00848862 0.07885350 -0.00174513 0.00211844  -0.01243065 148 ASP   A C    
557  O O    . ASP   A 36  ? 0.08254921 0.00907336 0.08486341 -0.00007474 0.00544051  -0.01463969 148 ASP   A O    
558  C CB   . ASP   A 36  ? 0.10221622 0.01092526 0.10386653 -0.00625852 -0.00223389 -0.01511013 148 ASP   A CB   
559  C CG   . ASP   A 36  ? 0.12909384 0.02009577 0.13943706 0.00219421  -0.00165152 -0.01122700 148 ASP   A CG   
560  O OD1  . ASP   A 36  ? 0.13288069 0.04934051 0.18143487 0.01836301  -0.00570887 -0.02656668 148 ASP   A OD1  
561  O OD2  . ASP   A 36  ? 0.18904677 0.03341252 0.22524154 -0.00822682 -0.02892148 -0.01863766 148 ASP   A OD2  
562  H H    . ASP   A 36  ? 0.08067006 0.01005710 0.09089057 -0.00222871 0.00391098  -0.01768237 148 ASP   A H    
563  H HA   . ASP   A 36  ? 0.08474249 0.00940717 0.09065641 -0.00293014 0.00216259  -0.01588746 148 ASP   A HA   
564  H HB2  . ASP   A 36  ? 0.10090563 0.00892100 0.10499118 -0.00389892 -0.00089464 -0.01543856 148 ASP   A HB2  
565  H HB3  . ASP   A 36  ? 0.10012004 0.00899599 0.10427129 -0.00401711 -0.00090920 -0.01558078 148 ASP   A HB3  
566  N N    . PHE   A 37  ? 0.08362811 0.00746602 0.07376008 0.00178618  0.00003891  -0.00858053 149 PHE   A N    
567  C CA   . PHE   A 37  ? 0.08168081 0.00699636 0.07271622 0.00468464  -0.00003165 -0.00497471 149 PHE   A CA   
568  C C    . PHE   A 37  ? 0.08744340 0.00685758 0.07434411 0.00358602  -0.00279778 -0.00511235 149 PHE   A C    
569  O O    . PHE   A 37  ? 0.08618079 0.02000491 0.07183820 0.00092026  -0.00651403 -0.01601758 149 PHE   A O    
570  C CB   . PHE   A 37  ? 0.09507324 0.00656481 0.07832760 0.00406286  0.00368936  -0.00165292 149 PHE   A CB   
571  C CG   . PHE   A 37  ? 0.09913044 0.01958684 0.07969937 0.01287425  0.00321595  0.00398555  149 PHE   A CG   
572  C CD1  . PHE   A 37  ? 0.10603444 0.04837282 0.07277706 0.01893411  0.01001887  0.00039826  149 PHE   A CD1  
573  C CD2  . PHE   A 37  ? 0.10751180 0.05300187 0.09165306 0.02802624  0.01290995  0.02002347  149 PHE   A CD2  
574  C CE1  . PHE   A 37  ? 0.12767427 0.09025215 0.07920706 0.02931918  0.01264323  0.00694794  149 PHE   A CE1  
575  C CE2  . PHE   A 37  ? 0.12237868 0.08858825 0.10160036 0.04054078  0.00858323  0.03303134  149 PHE   A CE2  
576  C CZ   . PHE   A 37  ? 0.12639119 0.10688603 0.08205395 0.02744652  0.00774449  0.02680494  149 PHE   A CZ   
577  H H    . PHE   A 37  ? 0.08302424 0.00744333 0.07499478 0.00166521  0.00049394  -0.00857878 149 PHE   A H    
578  H HA   . PHE   A 37  ? 0.08371928 0.00695984 0.07412256 0.00395089  -0.00001378 -0.00537161 149 PHE   A HA   
579  H HB2  . PHE   A 37  ? 0.09304503 0.00674053 0.07666226 0.00546121  0.00247527  -0.00196423 149 PHE   A HB2  
580  H HB3  . PHE   A 37  ? 0.09202712 0.00681131 0.07640491 0.00575088  0.00257422  -0.00237563 149 PHE   A HB3  
581  H HD1  . PHE   A 37  ? 0.10770264 0.04574207 0.07616259 0.01846365  0.00895718  0.00265916  149 PHE   A HD1  
582  H HD2  . PHE   A 37  ? 0.10660298 0.04647759 0.08958244 0.02514674  0.00861902  0.01917414  149 PHE   A HD2  
583  H HE1  . PHE   A 37  ? 0.11963460 0.07821053 0.07863046 0.02549645  0.01038691  0.01030068  149 PHE   A HE1  
584  H HE2  . PHE   A 37  ? 0.11736611 0.07909435 0.09344784 0.03454285  0.00923828  0.02775329  149 PHE   A HE2  
585  H HZ   . PHE   A 37  ? 0.12464656 0.09610164 0.08339576 0.03063128  0.00832210  0.02295522  149 PHE   A HZ   
586  N N    . GLN   A 38  ? 0.09324659 0.00784280 0.06472519 0.00164676  -0.00348514 -0.00934806 150 GLN   A N    
587  C CA   . GLN   A 38  ? 0.11263184 0.00680225 0.07084394 -0.00013870 -0.00508194 -0.00548633 150 GLN   A CA   
588  C C    . GLN   A 38  ? 0.10515700 0.00677853 0.05999894 0.00630796  -0.00428362 -0.00179507 150 GLN   A C    
589  O O    . GLN   A 38  ? 0.11266736 0.00777346 0.07539552 0.00931101  -0.01692300 -0.00792527 150 GLN   A O    
590  C CB   . GLN   A 38  ? 0.14596286 0.01017462 0.08227314 -0.01739879 0.00717410  -0.00789507 150 GLN   A CB   
591  C CG   . GLN   A 38  ? 0.19320856 0.01815732 0.11332362 -0.01175667 0.01331713  -0.02114491 150 GLN   A CG   
592  C CD   . GLN   A 38  ? 0.22025685 0.04509889 0.12911311 -0.00606586 0.00901116  -0.01413307 150 GLN   A CD   
593  O OE1  . GLN   A 38  ? 0.31879294 0.06267167 0.17351627 -0.02946387 0.00640844  -0.02763151 150 GLN   A OE1  
594  N NE2  . GLN   A 38  ? 0.28718942 0.06799180 0.15678497 -0.00729837 -0.02131444 -0.02566820 150 GLN   A NE2  
595  H H    . GLN   A 38  ? 0.09467582 0.00726751 0.06811167 0.00193453  -0.00376853 -0.00749855 150 GLN   A H    
596  H HA   . GLN   A 38  ? 0.11066169 0.00690794 0.06870274 -0.00044446 -0.00280624 -0.00596486 150 GLN   A HA   
597  H HB2  . GLN   A 38  ? 0.14333639 0.00845909 0.08271955 -0.01191430 0.00510235  -0.00955877 150 GLN   A HB2  
598  H HB3  . GLN   A 38  ? 0.14191547 0.00834225 0.08311700 -0.01126878 0.00460330  -0.00945049 150 GLN   A HB3  
599  H HG2  . GLN   A 38  ? 0.18261288 0.01894967 0.10494155 -0.01232108 0.00966885  -0.01547577 150 GLN   A HG2  
600  H HG3  . GLN   A 38  ? 0.18318585 0.01966928 0.10775048 -0.01188929 0.01253026  -0.01521256 150 GLN   A HG3  
601  H HE21 . GLN   A 38  ? 0.26052052 0.06218479 0.14579143 -0.00300067 -0.00927656 -0.02049182 150 GLN   A HE21 
602  H HE22 . GLN   A 38  ? 0.26488644 0.06414444 0.15206020 -0.00271727 -0.01386999 -0.02591805 150 GLN   A HE22 
603  N N    . ARG   A 39  ? 0.10282855 0.00787809 0.06143275 0.01215867  -0.00713826 -0.00175701 151 ARG   A N    
604  C CA   . ARG   A 39  ? 0.09760278 0.00652969 0.06259608 0.00264418  -0.00248155 -0.00267397 151 ARG   A CA   
605  C C    . ARG   A 39  ? 0.09178467 0.00652485 0.06393791 -0.00122998 -0.00299827 -0.00312486 151 ARG   A C    
606  O O    . ARG   A 39  ? 0.09221912 0.00761144 0.05830649 -0.00221225 -0.00164674 0.00505355  151 ARG   A O    
607  C CB   . ARG   A 39  ? 0.09801585 0.00651216 0.06351017 0.00011334  0.00002000  -0.00320288 151 ARG   A CB   
608  C CG   . ARG   A 39  ? 0.10802190 0.00693145 0.07116897 -0.00591753 -0.00213405 -0.00393654 151 ARG   A CG   
609  C CD   . ARG   A 39  ? 0.11707242 0.01744208 0.08520827 -0.01500354 0.00399233  -0.01160266 151 ARG   A CD   
610  N NE   . ARG   A 39  ? 0.12407421 0.02374736 0.09027695 -0.01908268 0.00653297  -0.01223215 151 ARG   A NE   
611  C CZ   . ARG   A 39  ? 0.13480629 0.03460720 0.09412763 -0.02133815 0.00108818  -0.00759776 151 ARG   A CZ   
612  N NH1  . ARG   A 39  ? 0.14456888 0.06871135 0.08962240 -0.00781244 0.00630654  0.00598260  151 ARG   A NH1  
613  N NH2  . ARG   A 39  ? 0.15374574 0.04582381 0.09158213 -0.01987432 -0.00354348 -0.01385338 151 ARG   A NH2  
614  H H    . ARG   A 39  ? 0.10051119 0.00734240 0.06149932 0.00958335  -0.00547726 -0.00193540 151 ARG   A H    
615  H HA   . ARG   A 39  ? 0.09760524 0.00656147 0.06290181 0.00324330  -0.00293656 -0.00263752 151 ARG   A HA   
616  H HB2  . ARG   A 39  ? 0.09994798 0.00649224 0.06442973 -0.00049434 -0.00096585 -0.00301508 151 ARG   A HB2  
617  H HB3  . ARG   A 39  ? 0.09973042 0.00649968 0.06476449 -0.00033666 -0.00103922 -0.00310911 151 ARG   A HB3  
618  H HG2  . ARG   A 39  ? 0.10684004 0.00705602 0.07076957 -0.00603169 -0.00043464 -0.00479988 151 ARG   A HG2  
619  H HG3  . ARG   A 39  ? 0.10679284 0.00709313 0.07153670 -0.00592312 -0.00036219 -0.00515725 151 ARG   A HG3  
620  H HD2  . ARG   A 39  ? 0.11620817 0.01491608 0.08418291 -0.01379721 0.00302404  -0.01094845 151 ARG   A HD2  
621  H HD3  . ARG   A 39  ? 0.11729345 0.01528170 0.08292857 -0.01405225 0.00294774  -0.00982622 151 ARG   A HD3  
622  H HE   . ARG   A 39  ? 0.12479858 0.02444941 0.08976073 -0.01850600 0.00465124  -0.01114292 151 ARG   A HE   
623  H HH11 . ARG   A 39  ? 0.14078377 0.05526134 0.09172092 -0.01257347 0.00415858  0.00159289  151 ARG   A HH11 
624  H HH12 . ARG   A 39  ? 0.14037527 0.05552280 0.09363157 -0.01292075 0.00374615  0.00291174  151 ARG   A HH12 
625  H HH21 . ARG   A 39  ? 0.14766370 0.04257151 0.09251843 -0.02047135 -0.00176932 -0.01156907 151 ARG   A HH21 
626  H HH22 . ARG   A 39  ? 0.14826848 0.04307066 0.09241038 -0.02154211 -0.00177052 -0.01178395 151 ARG   A HH22 
627  N N    . GLY   A 40  ? 0.09556754 0.00633408 0.06483766 0.00036078  0.00217913  -0.00003080 152 GLY   A N    
628  C CA   . GLY   A 40  ? 0.09080860 0.01843720 0.06198974 0.00155870  0.00225544  0.00179917  152 GLY   A CA   
629  C C    . GLY   A 40  ? 0.10179383 0.01860698 0.06610566 -0.00075187 0.00555768  -0.00012966 152 GLY   A C    
630  O O    . GLY   A 40  ? 0.12038203 0.01935806 0.07776967 -0.00825087 -0.00296825 -0.00369190 152 GLY   A O    
631  H H    . GLY   A 40  ? 0.09403989 0.00634329 0.06417028 -0.00007154 0.00113765  -0.00078526 152 GLY   A H    
632  H HA2  . GLY   A 40  ? 0.09309940 0.01440370 0.06340200 0.00082915  0.00306884  0.00089970  152 GLY   A HA2  
633  H HA3  . GLY   A 40  ? 0.09400257 0.01422354 0.06319908 0.00062312  0.00277795  0.00084236  152 GLY   A HA3  
634  N N    . ASN   A 41  ? 0.10941670 0.00671553 0.06259564 -0.00520337 0.00685410  0.00224490  153 ASN   A N    
635  C CA   . ASN   A 41  ? 0.11486295 0.00750289 0.07515416 -0.00388552 0.00842063  0.00808270  153 ASN   A CA   
636  C C    . ASN   A 41  ? 0.11994100 0.00686723 0.07212668 0.00462079  0.00712051  0.00504940  153 ASN   A C    
637  O O    . ASN   A 41  ? 0.15530671 0.00769187 0.08728423 0.00658971  0.02679591  0.00035906  153 ASN   A O    
638  C CB   . ASN   A 41  ? 0.12031163 0.02090247 0.07754168 -0.00018570 0.01350968  0.01332647  153 ASN   A CB   
639  C CG   . ASN   A 41  ? 0.13899773 0.01558279 0.08620915 -0.00867504 0.01584712  0.02026863  153 ASN   A CG   
640  O OD1  . ASN   A 41  ? 0.17321043 0.02462083 0.10637683 -0.02589597 0.00801493  0.02101861  153 ASN   A OD1  
641  N ND2  . ASN   A 41  ? 0.15548903 0.01906108 0.09775504 0.00672902  0.00966417  0.01685775  153 ASN   A ND2  
642  H H    . ASN   A 41  ? 0.10828871 0.00660233 0.06395417 -0.00425920 0.00631202  0.00202847  153 ASN   A H    
643  H HA   . ASN   A 41  ? 0.11469541 0.00719197 0.07175850 -0.00240757 0.00840317  0.00703827  153 ASN   A HA   
644  H HB2  . ASN   A 41  ? 0.12163854 0.01496349 0.07809179 -0.00274964 0.01334452  0.01356111  153 ASN   A HB2  
645  H HB3  . ASN   A 41  ? 0.12318023 0.01545332 0.07890563 -0.00239014 0.01309854  0.01383814  153 ASN   A HB3  
646  H HD21 . ASN   A 41  ? 0.15039702 0.01935941 0.09382255 0.00325839  0.01260710  0.01888162  153 ASN   A HD21 
647  H HD22 . ASN   A 41  ? 0.14979923 0.01687031 0.09375999 0.00225312  0.01192335  0.01815715  153 ASN   A HD22 
648  N N    . ASP   A 42  ? 0.09947757 0.00698912 0.05867183 0.00776553  0.00064730  0.00074444  154 ASP   A N    
649  C CA   . ASP   A 42  ? 0.10037963 0.01172205 0.06632892 0.01284215  0.00165802  0.00195613  154 ASP   A CA   
650  C C    . ASP   A 42  ? 0.09369909 0.00784818 0.06302818 0.01146887  0.00023909  -0.00072263 154 ASP   A C    
651  O O    . ASP   A 42  ? 0.10610330 0.02072661 0.06496131 0.02048444  -0.00514146 -0.00351623 154 ASP   A O    
652  C CB   . ASP   A 42  ? 0.10727026 0.02398798 0.07120962 0.01243884  0.00284846  -0.00280470 154 ASP   A CB   
653  C CG   . ASP   A 42  ? 0.12222944 0.03129696 0.08477090 0.01017943  0.00208978  -0.00587257 154 ASP   A CG   
654  O OD1  . ASP   A 42  ? 0.12873480 0.03909257 0.08586401 0.01785300  -0.00313690 -0.00149788 154 ASP   A OD1  
655  O OD2  . ASP   A 42  ? 0.13203199 0.04280235 0.10056886 -0.00301507 -0.00503636 -0.00398936 154 ASP   A OD2  
656  H H    . ASP   A 42  ? 0.10335694 0.00709655 0.06245376 0.00856017  0.00258647  0.00092714  154 ASP   A H    
657  H HA   . ASP   A 42  ? 0.10019364 0.00963365 0.06492236 0.01170887  0.00142305  0.00041891  154 ASP   A HA   
658  H HB2  . ASP   A 42  ? 0.10806789 0.02219009 0.07201238 0.01161272  0.00241641  -0.00205843 154 ASP   A HB2  
659  H HB3  . ASP   A 42  ? 0.10774286 0.02182889 0.07181828 0.01200036  0.00265759  -0.00210467 154 ASP   A HB3  
660  N N    . VAL   A 43  ? 0.08985265 0.00811260 0.05932393 0.01219252  -0.00128996 -0.00011711 155 VAL   A N    
661  C CA   . VAL   A 43  ? 0.09286155 0.00855491 0.06245016 0.00950717  0.00093571  -0.00802615 155 VAL   A CA   
662  C C    . VAL   A 43  ? 0.08796938 0.00901621 0.05862850 0.00865001  0.00059202  -0.00954996 155 VAL   A C    
663  O O    . VAL   A 43  ? 0.08442697 0.00853937 0.06675976 0.00932318  0.00278131  0.00028909  155 VAL   A O    
664  C CB   . VAL   A 43  ? 0.10540024 0.00760150 0.06998864 0.00366493  0.00729766  -0.00818778 155 VAL   A CB   
665  C CG1  . VAL   A 43  ? 0.11265748 0.00823776 0.07642384 -0.00131840 0.00508059  -0.01154912 155 VAL   A CG1  
666  C CG2  . VAL   A 43  ? 0.11338654 0.01929923 0.08307020 -0.00242076 0.00866805  -0.00981298 155 VAL   A CG2  
667  H H    . VAL   A 43  ? 0.09039403 0.00808366 0.06064450 0.01198797  -0.00097096 -0.00163892 155 VAL   A H    
668  H HA   . VAL   A 43  ? 0.09298595 0.00814134 0.06220404 0.00909221  0.00142376  -0.00675966 155 VAL   A HA   
669  H HB   . VAL   A 43  ? 0.10486931 0.00779911 0.07126066 0.00324760  0.00580583  -0.00917899 155 VAL   A HB   
670  H HG11 . VAL   A 43  ? 0.11149391 0.00800774 0.07456761 -0.00015512 0.00586141  -0.01067357 155 VAL   A HG11 
671  H HG12 . VAL   A 43  ? 0.11093105 0.00803786 0.07463668 0.00050637  0.00543688  -0.01073601 155 VAL   A HG12 
672  H HG13 . VAL   A 43  ? 0.11069487 0.00796399 0.07472269 0.00031938  0.00565676  -0.01051855 155 VAL   A HG13 
673  H HG21 . VAL   A 43  ? 0.11090706 0.01809832 0.07940427 -0.00056607 0.00830846  -0.00789875 155 VAL   A HG21 
674  H HG22 . VAL   A 43  ? 0.11092147 0.01501081 0.08040761 -0.00041099 0.00875722  -0.00900421 155 VAL   A HG22 
675  H HG23 . VAL   A 43  ? 0.11207646 0.01524760 0.07899805 -0.00092977 0.00843646  -0.00908758 155 VAL   A HG23 
676  N N    . ALA   A 44  ? 0.08455486 0.00859234 0.06522066 0.00850753  0.00372233  -0.00844654 156 ALA   A N    
677  C CA   . ALA   A 44  ? 0.08685790 0.00764274 0.07040095 0.00500792  0.00208141  -0.00786626 156 ALA   A CA   
678  C C    . ALA   A 44  ? 0.08949511 0.00674846 0.06663802 0.00250890  -0.00058920 -0.00454686 156 ALA   A C    
679  O O    . ALA   A 44  ? 0.09575248 0.00654866 0.08028702 -0.00406138 0.00346668  -0.00168464 156 ALA   A O    
680  C CB   . ALA   A 44  ? 0.08942747 0.00850615 0.08237347 0.01140919  0.00250949  -0.00644612 156 ALA   A CB   
681  H H    . ALA   A 44  ? 0.08517189 0.00848844 0.06474779 0.00801375  0.00270326  -0.00856979 156 ALA   A H    
682  H HA   . ALA   A 44  ? 0.08721972 0.00765317 0.07020682 0.00618012  0.00183368  -0.00721888 156 ALA   A HA   
683  H HB1  . ALA   A 44  ? 0.08898090 0.00796993 0.07987555 0.00932718  0.00190442  -0.00634072 156 ALA   A HB1  
684  H HB2  . ALA   A 44  ? 0.08941367 0.00813026 0.07895532 0.00956920  0.00259510  -0.00680406 156 ALA   A HB2  
685  H HB3  . ALA   A 44  ? 0.08932486 0.00827839 0.07906676 0.00988424  0.00186083  -0.00725306 156 ALA   A HB3  
686  N N    . PHE   A 45  ? 0.07892562 0.00721941 0.06671605 0.00051047  0.00618754  -0.00722741 157 PHE   A N    
687  C CA   . PHE   A 45  ? 0.09116314 0.00688480 0.07435987 -0.00214172 0.00544007  -0.00594359 157 PHE   A CA   
688  C C    . PHE   A 45  ? 0.09889448 0.00646071 0.06960796 -0.00099916 0.00713300  -0.00278984 157 PHE   A C    
689  O O    . PHE   A 45  ? 0.09786648 0.00651931 0.07021558 0.00276958  0.00023731  -0.00255679 157 PHE   A O    
690  C CB   . PHE   A 45  ? 0.09236551 0.00638548 0.08024610 0.00066072  0.00880571  -0.00180072 157 PHE   A CB   
691  C CG   . PHE   A 45  ? 0.09353673 0.00673095 0.07860587 -0.00533009 0.00766012  -0.00274758 157 PHE   A CG   
692  C CD1  . PHE   A 45  ? 0.09002472 0.01916907 0.07791822 0.00300455  0.00355069  -0.00620824 157 PHE   A CD1  
693  C CD2  . PHE   A 45  ? 0.08816916 0.00636584 0.08379984 -0.00151540 0.00738367  -0.00076758 157 PHE   A CD2  
694  C CE1  . PHE   A 45  ? 0.09289032 0.02055211 0.07863364 0.00908857  0.00464420  -0.00575591 157 PHE   A CE1  
695  C CE2  . PHE   A 45  ? 0.09216326 0.01188734 0.08092591 0.00002102  0.00077368  0.00304554  157 PHE   A CE2  
696  C CZ   . PHE   A 45  ? 0.09817650 0.00649815 0.07318694 -0.00389784 0.00358475  -0.00006103 157 PHE   A CZ   
697  H H    . PHE   A 45  ? 0.08195986 0.00696208 0.06795543 0.00021423  0.00529742  -0.00619141 157 PHE   A H    
698  H HA   . PHE   A 45  ? 0.09064042 0.00669034 0.07275334 -0.00102656 0.00635924  -0.00484876 157 PHE   A HA   
699  H HB2  . PHE   A 45  ? 0.09336118 0.00644569 0.07848450 -0.00036625 0.00790731  -0.00285608 157 PHE   A HB2  
700  H HB3  . PHE   A 45  ? 0.09190499 0.00646228 0.07841842 -0.00099829 0.00781503  -0.00299370 157 PHE   A HB3  
701  H HD1  . PHE   A 45  ? 0.09121158 0.00995398 0.07781003 0.00193147  0.00445426  -0.00532291 157 PHE   A HD1  
702  H HD2  . PHE   A 45  ? 0.08949375 0.00636480 0.08159916 -0.00146415 0.00614370  -0.00080152 157 PHE   A HD2  
703  H HE1  . PHE   A 45  ? 0.09248912 0.01385456 0.07692345 0.00524920  0.00440271  -0.00470736 157 PHE   A HE1  
704  H HE2  . PHE   A 45  ? 0.09220173 0.00637628 0.07909777 -0.00109416 0.00258179  0.00143746  157 PHE   A HE2  
705  H HZ   . PHE   A 45  ? 0.09560730 0.00720828 0.07479830 -0.00019274 0.00337641  -0.00116730 157 PHE   A HZ   
706  N N    . HIS   A 46  ? 0.09227082 0.00676929 0.07112105 0.00019480  0.00456514  -0.00529610 158 HIS   A N    
707  C CA   . HIS   A 46  ? 0.09151743 0.00662735 0.06993311 0.00012429  0.00557642  -0.00430779 158 HIS   A CA   
708  C C    . HIS   A 46  ? 0.08309747 0.00715049 0.07098248 0.00096803  0.00989656  -0.00702077 158 HIS   A C    
709  O O    . HIS   A 46  ? 0.08043304 0.01020685 0.07097282 0.00555342  0.00394886  -0.01463059 158 HIS   A O    
710  C CB   . HIS   A 46  ? 0.09911603 0.00659733 0.07318507 0.00227921  -0.00344945 -0.00381682 158 HIS   A CB   
711  C CG   . HIS   A 46  ? 0.10842898 0.00657439 0.07565747 0.00216240  -0.00411941 -0.00376896 158 HIS   A CG   
712  N ND1  . HIS   A 46  ? 0.11505608 0.00658873 0.09416048 -0.00416411 0.00021158  0.00290544  158 HIS   A ND1  
713  C CD2  . HIS   A 46  ? 0.12621194 0.00661888 0.08855329 0.00516158  -0.00507789 -0.00251028 158 HIS   A CD2  
714  C CE1  . HIS   A 46  ? 0.12709662 0.00721959 0.09886628 -0.00902325 -0.00667205 0.00492707  158 HIS   A CE1  
715  N NE2  . HIS   A 46  ? 0.13568789 0.00643441 0.08209495 -0.00301888 -0.00628020 0.00168481  158 HIS   A NE2  
716  H H    . HIS   A 46  ? 0.09309030 0.00664529 0.07055839 -0.00012719 0.00518804  -0.00447681 158 HIS   A H    
717  H HA   . HIS   A 46  ? 0.09130985 0.00673039 0.07094587 0.00060941  0.00471548  -0.00499780 158 HIS   A HA   
718  H HB2  . HIS   A 46  ? 0.09932891 0.00657621 0.07355021 0.00165394  -0.00159981 -0.00382211 158 HIS   A HB2  
719  H HB3  . HIS   A 46  ? 0.09915660 0.00659446 0.07294805 0.00170654  -0.00143045 -0.00394410 158 HIS   A HB3  
720  H HD1  . HIS   A 46  ? 0.06709995 0.06709995 0.06709995 0.00000000  0.00000000  0.00000000  158 HIS   A HD1  
721  H HD2  . HIS   A 46  ? 0.12411611 0.00643436 0.08376894 0.00263391  -0.00545259 -0.00194079 158 HIS   A HD2  
722  H HE1  . HIS   A 46  ? 0.12598693 0.00690733 0.09424216 -0.00715922 -0.00446049 0.00385067  158 HIS   A HE1  
723  H HE2  . HIS   A 46  ? 0.06979763 0.06979763 0.06979763 0.00000000  0.00000000  0.00000000  158 HIS   A HE2  
724  N N    . PHE   A 47  ? 0.07859344 0.00707103 0.06506553 -0.00062317 0.00956951  -0.00657297 159 PHE   A N    
725  C CA   . PHE   A 47  ? 0.08750215 0.00709616 0.06908942 0.00123062  0.00811498  -0.00666988 159 PHE   A CA   
726  C C    . PHE   A 47  ? 0.09264824 0.00739928 0.07069395 0.00370627  0.01008251  -0.00713951 159 PHE   A C    
727  O O    . PHE   A 47  ? 0.09218447 0.00821764 0.08199359 0.00335552  0.01447220  -0.01076671 159 PHE   A O    
728  C CB   . PHE   A 47  ? 0.09114216 0.00648423 0.06986258 -0.00007199 0.00391974  -0.00310196 159 PHE   A CB   
729  C CG   . PHE   A 47  ? 0.09651245 0.00652050 0.07216735 0.00353289  -0.00002353 -0.00180615 159 PHE   A CG   
730  C CD1  . PHE   A 47  ? 0.09614728 0.00654891 0.07213958 0.00321242  -0.00053892 -0.00260250 159 PHE   A CD1  
731  C CD2  . PHE   A 47  ? 0.09521734 0.01670332 0.07499357 0.00232935  -0.00147996 -0.00358300 159 PHE   A CD2  
732  C CE1  . PHE   A 47  ? 0.10748074 0.01865110 0.07182144 0.00219313  -0.00041172 0.00334548  159 PHE   A CE1  
733  C CE2  . PHE   A 47  ? 0.10373008 0.01428417 0.07765488 -0.00027737 -0.00958530 -0.00783240 159 PHE   A CE2  
734  C CZ   . PHE   A 47  ? 0.11019208 0.01115277 0.06590199 0.00962233  -0.00463909 -0.00499719 159 PHE   A CZ   
735  H H    . PHE   A 47  ? 0.08047664 0.00708877 0.06715905 0.00023583  0.00967037  -0.00667723 159 PHE   A H    
736  H HA   . PHE   A 47  ? 0.08719499 0.00699370 0.06876008 0.00116068  0.00804203  -0.00618657 159 PHE   A HA   
737  H HB2  . PHE   A 47  ? 0.09123932 0.00656000 0.07016875 0.00073067  0.00401496  -0.00371691 159 PHE   A HB2  
738  H HB3  . PHE   A 47  ? 0.09146824 0.00656695 0.07026859 0.00096491  0.00402830  -0.00372813 159 PHE   A HB3  
739  H HD1  . PHE   A 47  ? 0.09769809 0.00644885 0.07191813 0.00272902  -0.00075044 -0.00153166 159 PHE   A HD1  
740  H HD2  . PHE   A 47  ? 0.09690349 0.01109917 0.07436264 0.00196378  -0.00241857 -0.00401375 159 PHE   A HD2  
741  H HE1  . PHE   A 47  ? 0.10477471 0.01263978 0.07048688 0.00415145  -0.00141907 -0.00025018 159 PHE   A HE1  
742  H HE2  . PHE   A 47  ? 0.10178965 0.01341002 0.07396960 0.00188906  -0.00696792 -0.00642156 159 PHE   A HE2  
743  H HZ   . PHE   A 47  ? 0.10771278 0.01309040 0.06739319 0.00559802  -0.00474917 -0.00453011 159 PHE   A HZ   
744  N N    . ASN   A 48  ? 0.08947031 0.00702261 0.07703510 0.00396942  0.01392095  -0.00518507 160 ASN   A N    
745  C CA   . ASN   A 48  ? 0.08968057 0.00698746 0.08118580 0.00406767  0.00541941  -0.00556628 160 ASN   A CA   
746  C C    . ASN   A 48  ? 0.08806868 0.00776671 0.08108954 0.00736794  0.00156307  -0.00744434 160 ASN   A C    
747  O O    . ASN   A 48  ? 0.08693596 0.01013468 0.08144723 0.00876551  -0.00480534 -0.00855425 160 ASN   A O    
748  C CB   . ASN   A 48  ? 0.09366655 0.00769129 0.07850906 0.00582893  0.00331198  -0.00813741 160 ASN   A CB   
749  C CG   . ASN   A 48  ? 0.11328010 0.00827805 0.08015104 0.01004091  0.00111808  -0.00099118 160 ASN   A CG   
750  O OD1  . ASN   A 48  ? 0.12637182 0.02569730 0.09440567 0.02175995  -0.00940150 -0.01187252 160 ASN   A OD1  
751  N ND2  . ASN   A 48  ? 0.12147449 0.00682094 0.10554039 0.00743531  0.00485368  0.00121471  160 ASN   A ND2  
752  H H    . ASN   A 48  ? 0.08937447 0.00706236 0.07606363 0.00367352  0.01144303  -0.00571159 160 ASN   A H    
753  H HA   . ASN   A 48  ? 0.09013312 0.00723284 0.08006092 0.00493988  0.00598098  -0.00632905 160 ASN   A HA   
754  H HB2  . ASN   A 48  ? 0.09597587 0.00739616 0.07896487 0.00633805  0.00362986  -0.00642247 160 ASN   A HB2  
755  H HB3  . ASN   A 48  ? 0.09536620 0.00732842 0.07954850 0.00607689  0.00334911  -0.00628824 160 ASN   A HB3  
756  H HD21 . ASN   A 48  ? 0.11900981 0.00682722 0.09623969 0.00746405  0.00405983  0.00013908  160 ASN   A HD21 
757  H HD22 . ASN   A 48  ? 0.11868358 0.00687489 0.09639616 0.00779999  0.00365070  0.00051829  160 ASN   A HD22 
758  N N    . PRO   A 49  ? 0.09819607 0.00899485 0.07772771 0.01103199  -0.00478942 -0.01032967 161 PRO   A N    
759  C CA   . PRO   A 49  ? 0.09501716 0.00916454 0.07680681 0.01056311  -0.00111148 -0.01066277 161 PRO   A CA   
760  C C    . PRO   A 49  ? 0.09533646 0.00946577 0.08367790 0.01285222  -0.00049112 -0.01001020 161 PRO   A C    
761  O O    . PRO   A 49  ? 0.11093648 0.00813391 0.09743497 0.00770162  0.01501141  -0.00937262 161 PRO   A O    
762  C CB   . PRO   A 49  ? 0.09749588 0.01340795 0.07881722 0.01081069  -0.00410149 -0.00945134 161 PRO   A CB   
763  C CG   . PRO   A 49  ? 0.09999244 0.01682735 0.07890577 0.01626388  -0.00770415 -0.01112659 161 PRO   A CG   
764  C CD   . PRO   A 49  ? 0.09943805 0.01474655 0.07774103 0.01434605  -0.00597265 -0.00868864 161 PRO   A CD   
765  H HA   . PRO   A 49  ? 0.09573259 0.00913239 0.07854020 0.01111291  -0.00185490 -0.01034810 161 PRO   A HA   
766  H HB2  . PRO   A 49  ? 0.09722787 0.01208644 0.07848071 0.01183750  -0.00402424 -0.01016430 161 PRO   A HB2  
767  H HB3  . PRO   A 49  ? 0.09740412 0.01224884 0.07869055 0.01196480  -0.00425116 -0.01014887 161 PRO   A HB3  
768  H HG2  . PRO   A 49  ? 0.09921256 0.01565613 0.07868177 0.01471914  -0.00663430 -0.01026633 161 PRO   A HG2  
769  H HG3  . PRO   A 49  ? 0.09980296 0.01606405 0.07900439 0.01511453  -0.00695891 -0.01062769 161 PRO   A HG3  
770  H HD2  . PRO   A 49  ? 0.09924194 0.01281704 0.07813602 0.01407288  -0.00590978 -0.00973488 161 PRO   A HD2  
771  H HD3  . PRO   A 49  ? 0.09916602 0.01462194 0.07804784 0.01443334  -0.00569450 -0.00924720 161 PRO   A HD3  
772  N N    . ARG   A 50  ? 0.10429862 0.00907996 0.07997780 0.01485718  -0.00044695 -0.00610044 162 ARG   A N    
773  C CA   . ARG   A 50  ? 0.11360364 0.00919929 0.08924672 0.01152049  -0.00040549 -0.01166684 162 ARG   A CA   
774  C C    . ARG   A 50  ? 0.11510742 0.00952306 0.09486281 0.00918811  -0.00115846 -0.01471679 162 ARG   A C    
775  O O    . ARG   A 50  ? 0.11588123 0.01155857 0.09928350 0.00642593  -0.00370387 -0.02143318 162 ARG   A O    
776  C CB   . ARG   A 50  ? 0.12411822 0.01048451 0.09530541 0.01729399  -0.00522210 -0.01272975 162 ARG   A CB   
777  C CG   . ARG   A 50  ? 0.12806706 0.01323701 0.09074873 0.02516098  -0.00584592 -0.01318168 162 ARG   A CG   
778  C CD   . ARG   A 50  ? 0.12952951 0.01259156 0.09611665 0.02225735  -0.00892214 -0.01573554 162 ARG   A CD   
779  N NE   . ARG   A 50  ? 0.12727286 0.01172391 0.08909183 0.02161905  -0.01232927 -0.01335888 162 ARG   A NE   
780  C CZ   . ARG   A 50  ? 0.13212043 0.01377750 0.09518683 0.02065954  -0.01805351 -0.01301545 162 ARG   A CZ   
781  N NH1  . ARG   A 50  ? 0.14029914 0.02966699 0.09098901 0.03130329  -0.02685578 -0.01193621 162 ARG   A NH1  
782  N NH2  . ARG   A 50  ? 0.12999196 0.03297778 0.08575210 0.02285435  -0.02412392 -0.01571340 162 ARG   A NH2  
783  H H    . ARG   A 50  ? 0.10372391 0.00908613 0.08270673 0.01351913  -0.00038067 -0.00823646 162 ARG   A H    
784  H HA   . ARG   A 50  ? 0.11317156 0.00930048 0.08922311 0.01255943  -0.00114500 -0.01125257 162 ARG   A HA   
785  H HB2  . ARG   A 50  ? 0.12282529 0.01068449 0.09301060 0.01763797  -0.00462667 -0.01275983 162 ARG   A HB2  
786  H HB3  . ARG   A 50  ? 0.12229431 0.01073451 0.09285498 0.01756138  -0.00429237 -0.01291705 162 ARG   A HB3  
787  H HG2  . ARG   A 50  ? 0.12745516 0.01242222 0.09305385 0.02269598  -0.00639912 -0.01379559 162 ARG   A HG2  
788  H HG3  . ARG   A 50  ? 0.12724906 0.01265390 0.09304228 0.02284074  -0.00630115 -0.01435636 162 ARG   A HG3  
789  H HD2  . ARG   A 50  ? 0.12897891 0.01251834 0.09331863 0.02284219  -0.00932445 -0.01464575 162 ARG   A HD2  
790  H HD3  . ARG   A 50  ? 0.12876111 0.01252252 0.09323951 0.02280504  -0.00918458 -0.01465043 162 ARG   A HD3  
791  H HE   . ARG   A 50  ? 0.12797071 0.01196231 0.09184343 0.02220264  -0.01280810 -0.01385867 162 ARG   A HE   
792  H HH11 . ARG   A 50  ? 0.13673450 0.02441284 0.09173104 0.02768574  -0.02464901 -0.01221568 162 ARG   A HH11 
793  H HH12 . ARG   A 50  ? 0.13709946 0.02435326 0.09314298 0.02753690  -0.02391123 -0.01167200 162 ARG   A HH12 
794  H HH21 . ARG   A 50  ? 0.12981121 0.02704185 0.08736365 0.02212180  -0.02343905 -0.01488186 162 ARG   A HH21 
795  H HH22 . ARG   A 50  ? 0.13098134 0.02705471 0.08839133 0.02172241  -0.02235863 -0.01485522 162 ARG   A HH22 
796  N N    . PHE   A 51  ? 0.11097813 0.00991799 0.09569964 0.00693160  -0.00410842 -0.01697183 163 PHE   A N    
797  C CA   . PHE   A 51  ? 0.13313259 0.01136097 0.09871791 0.00970040  -0.00797549 -0.02045551 163 PHE   A CA   
798  C C    . PHE   A 51  ? 0.15077236 0.01680794 0.10740716 0.01900295  -0.00436469 -0.02894753 163 PHE   A C    
799  O O    . PHE   A 51  ? 0.20201312 0.03940763 0.11294755 0.02267144  -0.01006071 -0.04493485 163 PHE   A O    
800  C CB   . PHE   A 51  ? 0.13249005 0.02930998 0.10164195 0.00556744  -0.00704356 -0.01176183 163 PHE   A CB   
801  C CG   . PHE   A 51  ? 0.11822306 0.03817045 0.10860532 -0.00078341 -0.01136680 -0.00066974 163 PHE   A CG   
802  C CD1  . PHE   A 51  ? 0.12814397 0.04262507 0.11392581 0.01099285  -0.00555972 0.00131197  163 PHE   A CD1  
803  C CD2  . PHE   A 51  ? 0.12779330 0.06996351 0.10625011 0.00071687  -0.00923691 -0.00780594 163 PHE   A CD2  
804  C CE1  . PHE   A 51  ? 0.11594304 0.06007965 0.11607754 0.01226023  -0.00484997 0.00343496  163 PHE   A CE1  
805  C CE2  . PHE   A 51  ? 0.12125169 0.08045059 0.10808933 -0.00130492 -0.01511764 0.00619461  163 PHE   A CE2  
806  C CZ   . PHE   A 51  ? 0.11615478 0.07697222 0.11930048 0.00734561  -0.01081429 0.00927694  163 PHE   A CZ   
807  H H    . PHE   A 51  ? 0.11584631 0.00998530 0.09555565 0.00803820  -0.00355658 -0.01678104 163 PHE   A H    
808  H HA   . PHE   A 51  ? 0.13013387 0.01192292 0.09962898 0.01007578  -0.00631360 -0.02019063 163 PHE   A HA   
809  H HB2  . PHE   A 51  ? 0.12949030 0.02601129 0.10238188 0.00521853  -0.00818960 -0.01152736 163 PHE   A HB2  
810  H HB3  . PHE   A 51  ? 0.12982632 0.02677898 0.10282621 0.00528227  -0.00821164 -0.01130620 163 PHE   A HB3  
811  H HD1  . PHE   A 51  ? 0.12281959 0.04405694 0.11340691 0.00829942  -0.00644935 0.00068289  163 PHE   A HD1  
812  H HD2  . PHE   A 51  ? 0.12373593 0.06216878 0.10659064 0.00049785  -0.01060518 -0.00359737 163 PHE   A HD2  
813  H HE1  . PHE   A 51  ? 0.11911647 0.05889317 0.11568353 0.01092393  -0.00631028 0.00334216  163 PHE   A HE1  
814  H HE2  . PHE   A 51  ? 0.12158220 0.07633180 0.10811356 0.00139655  -0.01315415 0.00380565  163 PHE   A HE2  
815  H HZ   . PHE   A 51  ? 0.11761494 0.07317311 0.11562183 0.00645973  -0.01024203 0.00685662  163 PHE   A HZ   
816  N N    . ASN   A 52  ? 0.16994414 0.00947100 0.12372983 0.01687034  -0.00807697 -0.01362598 164 ASN   A N    
817  C CA   . ASN   A 52  ? 0.19947524 0.01711130 0.16111217 0.02792881  -0.01066171 -0.00496390 164 ASN   A CA   
818  C C    . ASN   A 52  ? 0.19499813 0.03268085 0.14650531 0.03798560  -0.00864118 0.01625307  164 ASN   A C    
819  O O    . ASN   A 52  ? 0.24384999 0.16329640 0.16924462 0.00517340  -0.00823160 0.05747503  164 ASN   A O    
820  C CB   . ASN   A 52  ? 0.26837498 0.04771125 0.22047520 -0.00067489 -0.02118828 -0.00924671 164 ASN   A CB   
821  C CG   . ASN   A 52  ? 0.32316697 0.11747057 0.29931614 0.03497463  -0.02349178 0.00474164  164 ASN   A CG   
822  O OD1  . ASN   A 52  ? 0.33627531 0.17545652 0.34804133 0.05040724  0.03096895  0.01350279  164 ASN   A OD1  
823  N ND2  . ASN   A 52  ? 0.37801352 0.19521573 0.37996116 0.00334506  -0.05171657 0.00034639  164 ASN   A ND2  
824  H H    . ASN   A 52  ? 0.16698201 0.01056472 0.12416136 0.01937506  -0.00765512 -0.01584442 164 ASN   A H    
825  H HA   . ASN   A 52  ? 0.19852020 0.01988383 0.15455367 0.02374092  -0.01201370 -0.00405582 164 ASN   A HA   
826  H HB2  . ASN   A 52  ? 0.25199899 0.04450490 0.21221662 0.01409314  -0.01637629 -0.00550914 164 ASN   A HB2  
827  H HB3  . ASN   A 52  ? 0.25259751 0.04487984 0.21271884 0.01416468  -0.02078335 -0.00560705 164 ASN   A HB3  
828  H HD21 . ASN   A 52  ? 0.36573252 0.16801667 0.34791303 0.01281059  -0.03986824 0.00209908  164 ASN   A HD21 
829  H HD22 . ASN   A 52  ? 0.36847252 0.18187849 0.34924594 0.00268996  -0.04078090 0.00237089  164 ASN   A HD22 
830  N N    . GLU   A 53  ? 0.20819809 0.01509955 0.10961619 0.02991026  -0.02489766 -0.00588674 165 GLU   A N    
831  C CA   . GLU   A 53  ? 0.19883586 0.03038536 0.09897698 0.03780480  -0.01814363 -0.00665118 165 GLU   A CA   
832  C C    . GLU   A 53  ? 0.21091315 0.02653997 0.10401545 0.03714478  -0.02483337 -0.00963109 165 GLU   A C    
833  O O    . GLU   A 53  ? 0.20586681 0.02793516 0.11996220 0.03171118  -0.00102540 -0.00910122 165 GLU   A O    
834  C CB   . GLU   A 53  ? 0.20033643 0.03526187 0.11855596 0.03520230  -0.02358127 -0.02177551 165 GLU   A CB   
835  C CG   . GLU   A 53  ? 0.21129248 0.04399439 0.11194026 0.04231663  -0.02151170 -0.02558873 165 GLU   A CG   
836  C CD   . GLU   A 53  ? 0.21069711 0.04775646 0.12330933 0.04286765  -0.01623502 -0.02673082 165 GLU   A CD   
837  O OE1  . GLU   A 53  ? 0.22916844 0.05910728 0.13430372 0.01477958  -0.00532083 -0.03411557 165 GLU   A OE1  
838  O OE2  . GLU   A 53  ? 0.21311340 0.08704028 0.15111279 0.02055785  -0.00027976 -0.06449502 165 GLU   A OE2  
839  H H    . GLU   A 53  ? 0.20362242 0.02159425 0.11380655 0.03338354  -0.01967365 -0.00112719 165 GLU   A H    
840  H HA   . GLU   A 53  ? 0.20309734 0.02689283 0.10308098 0.03519776  -0.02055040 -0.00773815 165 GLU   A HA   
841  H HB2  . GLU   A 53  ? 0.20261429 0.03610481 0.11286543 0.03729087  -0.02202472 -0.01900417 165 GLU   A HB2  
842  H HB3  . GLU   A 53  ? 0.20281827 0.03640630 0.11421282 0.03778088  -0.02252277 -0.01973541 165 GLU   A HB3  
843  H HG2  . GLU   A 53  ? 0.20867686 0.04273869 0.11587093 0.04058141  -0.02084708 -0.02483575 165 GLU   A HG2  
844  H HG3  . GLU   A 53  ? 0.20847264 0.04284327 0.11581425 0.04059499  -0.02058896 -0.02500442 165 GLU   A HG3  
845  N N    . ASN   A 54  ? 0.23433673 0.03389273 0.10020677 0.05406971  -0.03018257 -0.01583015 166 ASN   A N    
846  C CA   . ASN   A 54  ? 0.23604700 0.05635035 0.12274836 0.06603518  -0.03532238 -0.01764148 166 ASN   A CA   
847  C C    . ASN   A 54  ? 0.21525837 0.02148391 0.10468426 0.05588010  -0.02238884 -0.01042768 166 ASN   A C    
848  O O    . ASN   A 54  ? 0.22244681 0.05774718 0.13382065 0.04113875  -0.01937704 -0.02091093 166 ASN   A O    
849  C CB   . ASN   A 54  ? 0.25360629 0.11262541 0.18053207 0.07221179  -0.04279243 -0.03954870 166 ASN   A CB   
850  C CG   . ASN   A 54  ? 0.27057901 0.19424149 0.24059990 0.08122633  -0.03123367 -0.03545915 166 ASN   A CG   
851  O OD1  . ASN   A 54  ? 0.25064102 0.35292110 0.30897927 0.07667361  -0.01483332 -0.06811745 166 ASN   A OD1  
852  N ND2  . ASN   A 54  ? 0.28991026 0.18689716 0.22324076 0.11055440  -0.03812380 -0.05934390 166 ASN   A ND2  
853  H H    . ASN   A 54  ? 0.22777571 0.03580511 0.10533682 0.05189030  -0.02969866 -0.01450251 166 ASN   A H    
854  H HA   . ASN   A 54  ? 0.23331733 0.05323618 0.12165140 0.06261828  -0.03248200 -0.02020615 166 ASN   A HA   
855  H HB2  . ASN   A 54  ? 0.25001308 0.10658281 0.17465509 0.07204241  -0.03832821 -0.03232504 166 ASN   A HB2  
856  H HB3  . ASN   A 54  ? 0.24942234 0.11117703 0.17161492 0.07208304  -0.03849396 -0.03581979 166 ASN   A HB3  
857  H HD21 . ASN   A 54  ? 0.28379950 0.18367645 0.22610736 0.10243954  -0.03789165 -0.05336856 166 ASN   A HD21 
858  H HD22 . ASN   A 54  ? 0.28174162 0.18494752 0.22500959 0.10435317  -0.03399452 -0.05534260 166 ASN   A HD22 
859  N N    . ASN   A 55  ? 0.20774992 0.02788880 0.09951155 0.04707699  -0.01140112 -0.01703811 167 ASN   A N    
860  C CA   . ASN   A 55  ? 0.21405067 0.04430049 0.11081842 0.02958390  -0.02743362 -0.02670226 167 ASN   A CA   
861  C C    . ASN   A 55  ? 0.21486659 0.06530097 0.10074013 0.04698745  -0.01729187 -0.00796213 167 ASN   A C    
862  O O    . ASN   A 55  ? 0.24279059 0.12681699 0.09997949 0.04883656  -0.00073762 -0.01170327 167 ASN   A O    
863  C CB   . ASN   A 55  ? 0.22866149 0.04590698 0.12255971 0.03643657  -0.02389385 -0.02635944 167 ASN   A CB   
864  C CG   . ASN   A 55  ? 0.23037593 0.05026545 0.15072152 0.03370864  -0.01613883 -0.02038340 167 ASN   A CG   
865  O OD1  . ASN   A 55  ? 0.30038524 0.06163466 0.19337094 0.04791324  -0.01438278 -0.00706982 167 ASN   A OD1  
866  N ND2  . ASN   A 55  ? 0.24218997 0.05478551 0.19530863 0.00704811  -0.02399020 0.01225447  167 ASN   A ND2  
867  H H    . ASN   A 55  ? 0.20898126 0.02995285 0.10158618 0.04575459  -0.01564418 -0.01744478 167 ASN   A H    
868  H HA   . ASN   A 55  ? 0.21434323 0.04459840 0.10988499 0.03710951  -0.02157370 -0.02095755 167 ASN   A HA   
869  H HB2  . ASN   A 55  ? 0.22622968 0.04632246 0.12452430 0.03445701  -0.02301952 -0.02505627 167 ASN   A HB2  
870  H HB3  . ASN   A 55  ? 0.22536384 0.04668889 0.12328172 0.03423486  -0.02330938 -0.02512050 167 ASN   A HB3  
871  H HD21 . ASN   A 55  ? 0.23829406 0.05346034 0.17978197 0.01573721  -0.01955858 -0.00074673 167 ASN   A HD21 
872  H HD22 . ASN   A 55  ? 0.23776501 0.05280633 0.17904976 0.01550686  -0.02046141 0.00142075  167 ASN   A HD22 
873  N N    A ARG   A 56  ? 0.21697994 0.04920044 0.10058939 0.05439228  -0.01091537 0.01009214  168 ARG   A N    
874  N N    B ARG   A 56  ? 0.21084034 0.05248180 0.10428689 0.06248713  -0.00852164 0.01135817  168 ARG   A N    
875  C CA   A ARG   A 56  ? 0.21161443 0.04515155 0.11995728 0.04448930  -0.01006224 0.00879838  168 ARG   A CA   
876  C CA   B ARG   A 56  ? 0.20228560 0.05229618 0.12212981 0.05642777  -0.00697362 0.01306609  168 ARG   A CA   
877  C C    A ARG   A 56  ? 0.18738315 0.03212709 0.09454606 0.03317050  -0.00820107 0.00636525  168 ARG   A C    
878  C C    B ARG   A 56  ? 0.18396190 0.04037372 0.09694129 0.03793523  -0.00509972 0.00625034  168 ARG   A C    
879  O O    A ARG   A 56  ? 0.17159362 0.04727970 0.08803511 0.03630460  -0.01758898 0.01166235  168 ARG   A O    
880  O O    B ARG   A 56  ? 0.17490952 0.04059851 0.08987994 0.03098473  -0.00992437 -0.00068551 168 ARG   A O    
881  C CB   A ARG   A 56  ? 0.23821747 0.06089212 0.12388688 0.03252196  -0.00573907 -0.00300501 168 ARG   A CB   
882  C CB   B ARG   A 56  ? 0.20393896 0.07756934 0.15204363 0.06125464  0.00683742  0.01448788  168 ARG   A CB   
883  C CG   A ARG   A 56  ? 0.26403353 0.08420963 0.14367796 0.03765189  -0.01078904 0.00263698  168 ARG   A CG   
884  C CG   B ARG   A 56  ? 0.21756327 0.11349833 0.15001373 0.06341498  0.00544362  -0.00441632 168 ARG   A CG   
885  C CD   A ARG   A 56  ? 0.29882365 0.06937220 0.17464763 0.01886042  -0.01349202 0.00022485  168 ARG   A CD   
886  C CD   B ARG   A 56  ? 0.24062346 0.15195519 0.16015521 0.06339094  -0.00255353 -0.00171321 168 ARG   A CD   
887  N NE   A ARG   A 56  ? 0.32790881 0.10793399 0.18962248 0.03050306  0.00256434  0.00370731  168 ARG   A NE   
888  N NE   B ARG   A 56  ? 0.27132267 0.17020053 0.18240404 0.07768400  -0.02057381 -0.00963089 168 ARG   A NE   
889  C CZ   A ARG   A 56  ? 0.31456780 0.13353908 0.17549929 0.01333321  -0.02277481 -0.01878700 168 ARG   A CZ   
890  C CZ   B ARG   A 56  ? 0.29936764 0.17761663 0.20825841 0.05318968  -0.02378911 -0.00906470 168 ARG   A CZ   
891  N NH1  A ARG   A 56  ? 0.32376608 0.17025423 0.21080418 0.01671822  -0.01703024 -0.01351503 168 ARG   A NH1  
892  N NH1  B ARG   A 56  ? 0.29981688 0.25237799 0.24801692 0.02616142  -0.01818539 -0.01956105 168 ARG   A NH1  
893  N NH2  A ARG   A 56  ? 0.33739719 0.14634316 0.20053467 0.01203120  -0.01731986 -0.02147276 168 ARG   A NH2  
894  N NH2  B ARG   A 56  ? 0.33169842 0.22728643 0.27223176 0.03816012  -0.01256299 -0.01088229 168 ARG   A NH2  
895  H H    A ARG   A 56  ? 0.21512334 0.05153358 0.10205009 0.05028190  -0.01210214 0.00493967  168 ARG   A H    
896  H H    B ARG   A 56  ? 0.21002862 0.05489408 0.10539749 0.05719919  -0.01014195 0.00648038  168 ARG   A H    
897  H HA   A ARG   A 56  ? 0.21051498 0.04545729 0.11617281 0.04208859  -0.00930413 0.00747204  168 ARG   A HA   
898  H HA   B ARG   A 56  ? 0.19985555 0.05288931 0.11895669 0.05431062  -0.00426354 0.01187696  168 ARG   A HA   
899  H HB2  A ARG   A 56  ? 0.23584622 0.06072592 0.12370367 0.03674449  -0.00733375 -0.00014068 168 ARG   A HB2  
900  H HB2  B ARG   A 56  ? 0.20626542 0.07705921 0.14839730 0.06049883  0.00394899  0.01061272  168 ARG   A HB2  
901  H HB3  A ARG   A 56  ? 0.23592690 0.06179773 0.12642282 0.03670466  -0.00779439 0.00012687  168 ARG   A HB3  
902  H HB3  B ARG   A 56  ? 0.20613784 0.07619087 0.14397402 0.06044150  0.00321360  0.01071909  168 ARG   A HB3  
903  H HG2  A ARG   A 56  ? 0.26365840 0.07837557 0.14619580 0.03336091  -0.00938575 0.00367622  168 ARG   A HG2  
904  H HG2  B ARG   A 56  ? 0.21859980 0.11165242 0.15303984 0.06323238  0.00367300  0.00008459  168 ARG   A HG2  
905  H HG3  A ARG   A 56  ? 0.26374194 0.07522482 0.14412503 0.03261225  -0.00994741 0.00151505  168 ARG   A HG3  
906  H HG3  B ARG   A 56  ? 0.21835838 0.11047810 0.15169334 0.06254390  0.00385520  0.00024643  168 ARG   A HG3  
907  H HD2  A ARG   A 56  ? 0.29423353 0.07912254 0.16725582 0.02537969  -0.01046652 0.00018059  168 ARG   A HD2  
908  H HD2  B ARG   A 56  ? 0.23971158 0.14395970 0.16090614 0.06596419  -0.00382530 -0.00345680 168 ARG   A HD2  
909  H HD3  A ARG   A 56  ? 0.29463515 0.08011005 0.16920532 0.02587474  -0.00964106 0.00096767  168 ARG   A HD3  
910  H HD3  B ARG   A 56  ? 0.24027927 0.14713585 0.16219603 0.06699836  -0.00373458 -0.00261817 168 ARG   A HD3  
911  H HE   A ARG   A 56  ? 0.31803051 0.11143372 0.18244684 0.02703447  -0.00653675 -0.00056148 168 ARG   A HE   
912  H HE   B ARG   A 56  ? 0.27211106 0.16820525 0.18182881 0.07092141  -0.01666331 -0.00750121 168 ARG   A HE   
913  H HH11 A ARG   A 56  ? 0.32211921 0.15885945 0.19822857 0.01653166  -0.01894252 -0.01514035 168 ARG   A HH11 
914  H HH11 B ARG   A 56  ? 0.29984695 0.24340728 0.23438169 0.03346261  -0.02028307 -0.01385969 168 ARG   A HH11 
915  H HH12 A ARG   A 56  ? 0.32211819 0.16432112 0.19825223 0.01876746  -0.01870944 -0.01474362 168 ARG   A HH12 
916  H HH12 B ARG   A 56  ? 0.29953212 0.23008515 0.23418789 0.03478609  -0.02012837 -0.01549733 168 ARG   A HH12 
917  H HH21 A ARG   A 56  ? 0.33292434 0.14256781 0.19205733 0.01249139  -0.01933432 -0.02050938 168 ARG   A HH21 
918  H HH21 B ARG   A 56  ? 0.32164690 0.22180995 0.24882203 0.04093232  -0.01684970 -0.00746472 168 ARG   A HH21 
919  H HH22 A ARG   A 56  ? 0.33168578 0.14418371 0.19211149 0.01085890  -0.01945300 -0.02017130 168 ARG   A HH22 
920  H HH22 B ARG   A 56  ? 0.32755178 0.21305504 0.24840957 0.03970085  -0.01681304 -0.00942263 168 ARG   A HH22 
921  N N    . ARG   A 57  ? 0.16865978 0.01206794 0.08512697 0.02886866  -0.00333008 -0.00747234 169 ARG   A N    
922  C CA   . ARG   A 57  ? 0.15564346 0.01002005 0.08111840 0.01893374  -0.00237354 -0.01010731 169 ARG   A CA   
923  C C    . ARG   A 57  ? 0.14694342 0.01473636 0.08240815 0.00818588  0.00484029  -0.01356110 169 ARG   A C    
924  O O    . ARG   A 57  ? 0.18250234 0.06235760 0.09201515 -0.02715964 0.02604326  -0.03238830 169 ARG   A O    
925  C CB   . ARG   A 57  ? 0.16191854 0.01359829 0.09794770 0.02785489  -0.01406620 -0.01686655 169 ARG   A CB   
926  C CG   . ARG   A 57  ? 0.17274712 0.04017435 0.11320490 0.01382247  -0.02474193 -0.02088661 169 ARG   A CG   
927  C CD   . ARG   A 57  ? 0.17816938 0.05889570 0.13837613 0.01993226  -0.02718792 -0.01835422 169 ARG   A CD   
928  N NE   . ARG   A 57  ? 0.17369705 0.09182289 0.11745258 0.03953692  -0.02772618 -0.02348362 169 ARG   A NE   
929  C CZ   . ARG   A 57  ? 0.16467850 0.11714105 0.14332731 0.04428452  -0.02401546 -0.00921377 169 ARG   A CZ   
930  N NH1  . ARG   A 57  ? 0.19802065 0.14002469 0.13076372 0.04834673  -0.01094251 -0.01092193 169 ARG   A NH1  
931  N NH2  . ARG   A 57  ? 0.15676077 0.17196831 0.17739370 0.02004917  -0.04455350 0.04244874  169 ARG   A NH2  
932  H H    . ARG   A 57  ? 0.17028514 0.01259052 0.08573711 0.03035334  -0.00365905 -0.00396607 169 ARG   A H    
933  H HA   . ARG   A 57  ? 0.15615128 0.01051122 0.08372043 0.02015285  -0.00239773 -0.01097760 169 ARG   A HA   
934  H HB2  . ARG   A 57  ? 0.16207355 0.01309779 0.09707364 0.02401470  -0.01336572 -0.01718532 169 ARG   A HB2  
935  H HB3  . ARG   A 57  ? 0.16032429 0.01290234 0.09618524 0.02483866  -0.01241697 -0.01709433 169 ARG   A HB3  
936  H HG2  . ARG   A 57  ? 0.17110015 0.03582729 0.11423133 0.01885982  -0.02256864 -0.01992039 169 ARG   A HG2  
937  H HG3  . ARG   A 57  ? 0.17223158 0.03654706 0.11457727 0.01794188  -0.02353739 -0.01854380 169 ARG   A HG3  
938  H HD2  . ARG   A 57  ? 0.17719382 0.06195550 0.12830883 0.02131220  -0.02801771 -0.01879900 169 ARG   A HD2  
939  H HD3  . ARG   A 57  ? 0.17562228 0.05975934 0.12752080 0.02182340  -0.02712933 -0.01997218 169 ARG   A HD3  
940  H HE   . ARG   A 57  ? 0.17386293 0.08689961 0.12728260 0.03566366  -0.02660223 -0.01906564 169 ARG   A HE   
941  H HH11 . ARG   A 57  ? 0.18928128 0.13277279 0.13801217 0.04586604  -0.01335379 -0.01087935 169 ARG   A HH11 
942  H HH12 . ARG   A 57  ? 0.19122088 0.13160099 0.13560458 0.04785271  -0.01540118 -0.01076936 169 ARG   A HH12 
943  H HH21 . ARG   A 57  ? 0.15965033 0.14941321 0.16306201 0.02925894  -0.03743701 0.02401463  169 ARG   A HH21 
944  H HH22 . ARG   A 57  ? 0.16040051 0.14754741 0.16281049 0.02852184  -0.03708727 0.02321077  169 ARG   A HH22 
945  N N    . VAL   A 58  ? 0.12333809 0.01007497 0.08321121 0.00288334  0.00354283  -0.01670115 170 VAL   A N    
946  C CA   . VAL   A 58  ? 0.11856782 0.01170710 0.09373377 0.00675664  0.00204345  -0.02070971 170 VAL   A CA   
947  C C    . VAL   A 58  ? 0.11367074 0.01047219 0.09119395 0.00546397  0.00110261  -0.01804483 170 VAL   A C    
948  O O    . VAL   A 58  ? 0.12003532 0.01765530 0.11996935 0.00667545  0.01698395  -0.02389594 170 VAL   A O    
949  C CB   . VAL   A 58  ? 0.12138700 0.02552829 0.11747821 0.02299728  -0.00745357 -0.02552096 170 VAL   A CB   
950  C CG1  . VAL   A 58  ? 0.12814158 0.04642095 0.13466765 0.02554970  -0.01266405 -0.01107712 170 VAL   A CG1  
951  C CG2  . VAL   A 58  ? 0.13603708 0.05080543 0.13895641 0.01019485  -0.00631956 -0.02211828 170 VAL   A CG2  
952  H H    . VAL   A 58  ? 0.12592013 0.01018750 0.08489946 0.00476891  0.00418909  -0.01678549 170 VAL   A H    
953  H HA   . VAL   A 58  ? 0.11911577 0.01163484 0.09367968 0.00797310  0.00100457  -0.02027253 170 VAL   A HA   
954  H HB   . VAL   A 58  ? 0.12181917 0.02496244 0.11538500 0.02000118  -0.00441524 -0.02358652 170 VAL   A HB   
955  H HG11 . VAL   A 58  ? 0.12820846 0.04169830 0.12961708 0.02277732  -0.01248548 -0.01370932 170 VAL   A HG11 
956  H HG12 . VAL   A 58  ? 0.12766740 0.04293573 0.12864377 0.02635806  -0.01050942 -0.01424959 170 VAL   A HG12 
957  H HG13 . VAL   A 58  ? 0.12692697 0.04023784 0.12877461 0.02451391  -0.01105947 -0.01525927 170 VAL   A HG13 
958  H HG21 . VAL   A 58  ? 0.13352670 0.04317784 0.13326854 0.01282198  -0.00548735 -0.02355461 170 VAL   A HG21 
959  H HG22 . VAL   A 58  ? 0.13246334 0.04329354 0.13326551 0.01355638  -0.00725271 -0.02355182 170 VAL   A HG22 
960  H HG23 . VAL   A 58  ? 0.13339145 0.04594481 0.13322964 0.01097752  -0.00842120 -0.02058757 170 VAL   A HG23 
961  N N    . ILE   A 59  ? 0.11663533 0.01271114 0.08953179 0.00172832  -0.00238756 -0.02301801 171 ILE   A N    
962  C CA   . ILE   A 59  ? 0.12047118 0.01220674 0.09978350 0.00277917  -0.00399226 -0.02337400 171 ILE   A CA   
963  C C    . ILE   A 59  ? 0.09369015 0.01770217 0.09424468 -0.00001670 0.00026768  -0.01667200 171 ILE   A C    
964  O O    . ILE   A 59  ? 0.10707380 0.04685008 0.09683192 -0.01646460 0.00753546  -0.02414026 171 ILE   A O    
965  C CB   . ILE   A 59  ? 0.13886596 0.01742824 0.12091431 0.00406427  -0.01892505 -0.01570090 171 ILE   A CB   
966  C CG1  . ILE   A 59  ? 0.15673998 0.04278644 0.12636518 0.01070083  -0.00618651 -0.01522687 171 ILE   A CG1  
967  C CG2  . ILE   A 59  ? 0.16868722 0.01531998 0.12470129 0.00698309  -0.02888259 -0.02758587 171 ILE   A CG2  
968  C CD1  . ILE   A 59  ? 0.16580223 0.05003364 0.13360761 -0.00109742 0.00247543  -0.02811352 171 ILE   A CD1  
969  H H    . ILE   A 59  ? 0.11665637 0.01197179 0.09199298 0.00286910  -0.00172100 -0.02187397 171 ILE   A H    
970  H HA   . ILE   A 59  ? 0.11713978 0.01141487 0.09909503 0.00262683  -0.00512701 -0.02167326 171 ILE   A HA   
971  H HB   . ILE   A 59  ? 0.14102453 0.01745702 0.11664098 0.00467538  -0.01477268 -0.01981512 171 ILE   A HB   
972  H HG12 . ILE   A 59  ? 0.15344962 0.03776539 0.12631197 0.00578148  -0.00802762 -0.01757595 171 ILE   A HG12 
973  H HG13 . ILE   A 59  ? 0.15337631 0.03782100 0.12664609 0.00645809  -0.00776071 -0.01850048 171 ILE   A HG13 
974  H HG21 . ILE   A 59  ? 0.16000105 0.01724909 0.12425900 0.00599244  -0.02569684 -0.02485001 171 ILE   A HG21 
975  H HG22 . ILE   A 59  ? 0.16189820 0.01711521 0.12420174 0.00708563  -0.02656880 -0.02461424 171 ILE   A HG22 
976  H HG23 . ILE   A 59  ? 0.15938197 0.01641253 0.12335023 0.00613625  -0.02587934 -0.02423706 171 ILE   A HG23 
977  H HD11 . ILE   A 59  ? 0.16325295 0.04867927 0.13180600 0.00204996  -0.00091181 -0.02398595 171 ILE   A HD11 
978  H HD12 . ILE   A 59  ? 0.16296043 0.04832650 0.13236099 0.00262049  -0.00010914 -0.02416176 171 ILE   A HD12 
979  H HD13 . ILE   A 59  ? 0.16187863 0.04941916 0.13202626 0.00282119  -0.00055888 -0.02567910 171 ILE   A HD13 
980  N N    . VAL   A 60  ? 0.08750577 0.01113436 0.09248088 0.00357422  0.00274589  -0.01987093 172 VAL   A N    
981  C CA   . VAL   A 60  ? 0.09519981 0.00728474 0.09461808 0.00148541  -0.00515691 -0.00911895 172 VAL   A CA   
982  C C    . VAL   A 60  ? 0.09349190 0.00749670 0.08341508 0.00113140  -0.00319444 -0.00944704 172 VAL   A C    
983  O O    . VAL   A 60  ? 0.09533192 0.01632850 0.10820432 0.00065778  0.00357604  -0.02726876 172 VAL   A O    
984  C CB   . VAL   A 60  ? 0.11199749 0.01528449 0.09651604 0.00275784  0.00079806  0.00145743  172 VAL   A CB   
985  C CG1  . VAL   A 60  ? 0.13452950 0.03759957 0.10624292 -0.00289258 -0.00431522 0.01036397  172 VAL   A CG1  
986  C CG2  . VAL   A 60  ? 0.12511343 0.01733107 0.11594044 0.01499120  -0.00242038 0.00967170  172 VAL   A CG2  
987  H H    . VAL   A 60  ? 0.08994401 0.00972346 0.09333780 0.00199202  0.00045250  -0.01704457 172 VAL   A H    
988  H HA   . VAL   A 60  ? 0.09567348 0.00756654 0.09183537 0.00210321  -0.00221492 -0.01011233 172 VAL   A HA   
989  H HB   . VAL   A 60  ? 0.11153372 0.01425195 0.09984057 0.00353850  -0.00170382 0.00169701  172 VAL   A HB   
990  H HG11 . VAL   A 60  ? 0.12914671 0.03077613 0.10326426 -0.00074282 -0.00352257 0.00735394  172 VAL   A HG11 
991  H HG12 . VAL   A 60  ? 0.12820417 0.03365846 0.10397717 -0.00352528 -0.00421441 0.00921378  172 VAL   A HG12 
992  H HG13 . VAL   A 60  ? 0.12705347 0.03162633 0.10396640 -0.00137570 -0.00298493 0.00656623  172 VAL   A HG13 
993  H HG21 . VAL   A 60  ? 0.12107386 0.01709130 0.10952026 0.01118267  -0.00125879 0.00663188  172 VAL   A HG21 
994  H HG22 . VAL   A 60  ? 0.12156731 0.01699577 0.11064448 0.01165112  -0.00006106 0.00743921  172 VAL   A HG22 
995  H HG23 . VAL   A 60  ? 0.12271334 0.01697981 0.10967105 0.01147063  -0.00176983 0.00670920  172 VAL   A HG23 
996  N N    . CYS   A 61  ? 0.09333488 0.01006794 0.07496356 0.00814150  0.00216540  -0.01407715 173 CYS   A N    
997  C CA   . CYS   A 61  ? 0.09356382 0.01126774 0.07083467 0.01159607  0.00094152  -0.01466881 173 CYS   A CA   
998  C C    . CYS   A 61  ? 0.08507697 0.01011035 0.07082919 0.01123855  0.00051415  -0.01176694 173 CYS   A C    
999  O O    . CYS   A 61  ? 0.08123089 0.02422452 0.07670898 0.01609309  -0.00038039 -0.01453775 173 CYS   A O    
1000 C CB   . CYS   A 61  ? 0.11138670 0.01116041 0.06704545 0.01675203  -0.00470221 -0.01217235 173 CYS   A CB   
1001 S SG   . CYS   A 61  ? 0.14011019 0.03105003 0.08025500 0.01893362  -0.01643384 -0.01343716 173 CYS   A SG   
1002 H H    . CYS   A 61  ? 0.09293772 0.00951757 0.07609610 0.00740555  0.00078253  -0.01327474 173 CYS   A H    
1003 H HA   . CYS   A 61  ? 0.09398637 0.01066699 0.07124928 0.01141292  0.00024492  -0.01356610 173 CYS   A HA   
1004 H HB2  . CYS   A 61  ? 0.11003338 0.01138390 0.06974170 0.01600517  -0.00493131 -0.01353051 173 CYS   A HB2  
1005 H HB3  . CYS   A 61  ? 0.10958420 0.01126579 0.06988746 0.01585960  -0.00489818 -0.01332713 173 CYS   A HB3  
1006 H HG   . CYS   A 61  ? 0.08440054 0.08440054 0.08440054 0.00000000  0.00000000  0.00000000  173 CYS   A HG   
1007 N N    . ASN   A 62  ? 0.08014616 0.00761910 0.06823230 0.00809973  0.00136574  -0.00481075 174 ASN   A N    
1008 C CA   . ASN   A 62  ? 0.08690555 0.00715915 0.07040595 0.00804744  -0.00090779 -0.00129918 174 ASN   A CA   
1009 C C    . ASN   A 62  ? 0.07781852 0.00711953 0.06809590 0.00537318  -0.00019530 -0.00487877 174 ASN   A C    
1010 O O    . ASN   A 62  ? 0.07989325 0.01095068 0.06104450 0.00308924  -0.00241948 -0.01050624 174 ASN   A O    
1011 C CB   . ASN   A 62  ? 0.09701607 0.00692893 0.07195788 0.00715351  -0.00164887 -0.00157959 174 ASN   A CB   
1012 C CG   . ASN   A 62  ? 0.10268956 0.00739678 0.07843822 0.01001188  -0.00771150 -0.00210850 174 ASN   A CG   
1013 O OD1  . ASN   A 62  ? 0.09461468 0.00878353 0.08713014 0.01113068  -0.01004172 -0.01040084 174 ASN   A OD1  
1014 N ND2  . ASN   A 62  ? 0.10793417 0.00725962 0.08321834 0.00939426  -0.02041949 0.00017386  174 ASN   A ND2  
1015 H H    . ASN   A 62  ? 0.08196666 0.00789551 0.06927171 0.00895578  0.00053045  -0.00556059 174 ASN   A H    
1016 H HA   . ASN   A 62  ? 0.08585415 0.00717724 0.06993408 0.00760100  -0.00061610 -0.00279955 174 ASN   A HA   
1017 H HB2  . ASN   A 62  ? 0.09546938 0.00711066 0.07252577 0.00805389  -0.00269599 -0.00206821 174 ASN   A HB2  
1018 H HB3  . ASN   A 62  ? 0.09552523 0.00707266 0.07276160 0.00793641  -0.00259464 -0.00173019 174 ASN   A HB3  
1019 H HD21 . ASN   A 62  ? 0.10606015 0.00731611 0.08149342 0.00982527  -0.01621689 -0.00053703 174 ASN   A HD21 
1020 H HD22 . ASN   A 62  ? 0.10544913 0.00731198 0.08120291 0.00978001  -0.01692926 -0.00065333 174 ASN   A HD22 
1021 N N    . THR   A 63  ? 0.07839020 0.00769972 0.06742921 0.00820558  -0.00385354 -0.00557184 175 THR   A N    
1022 C CA   . THR   A 63  ? 0.08705223 0.00696695 0.06769787 0.00673836  -0.00357029 -0.00239506 175 THR   A CA   
1023 C C    . THR   A 63  ? 0.08985368 0.00740615 0.06698807 0.00924418  -0.00478220 -0.00227380 175 THR   A C    
1024 O O    . THR   A 63  ? 0.08878244 0.02148567 0.07253163 0.01544661  -0.00394117 -0.00248236 175 THR   A O    
1025 C CB   . THR   A 63  ? 0.09152061 0.00645211 0.07093961 0.00314160  -0.00455772 -0.00065294 175 THR   A CB   
1026 O OG1  . THR   A 63  ? 0.09212693 0.00642442 0.06867694 -0.00195153 -0.00245740 0.00177456  175 THR   A OG1  
1027 C CG2  . THR   A 63  ? 0.09636135 0.00652058 0.07436045 0.00407708  -0.00137748 0.00041443  175 THR   A CG2  
1028 H H    . THR   A 63  ? 0.07941572 0.00740119 0.06768338 0.00755361  -0.00315600 -0.00452408 175 THR   A H    
1029 H HA   . THR   A 63  ? 0.08657625 0.00700238 0.06797791 0.00680904  -0.00389179 -0.00270815 175 THR   A HA   
1030 H HB   . THR   A 63  ? 0.09142183 0.00644917 0.07043652 0.00313643  -0.00340033 -0.00037389 175 THR   A HB   
1031 H HG1  . THR   A 63  ? 0.05359890 0.05359890 0.05359890 0.00000000  0.00000000  0.00000000  175 THR   A HG1  
1032 H HG21 . THR   A 63  ? 0.09522499 0.00652416 0.07337229 0.00412384  -0.00233535 0.00002229  175 THR   A HG21 
1033 H HG22 . THR   A 63  ? 0.09535732 0.00649454 0.07333904 0.00379380  -0.00227904 0.00003854  175 THR   A HG22 
1034 H HG23 . THR   A 63  ? 0.09519298 0.00650020 0.07375230 0.00385907  -0.00227957 -0.00007608 175 THR   A HG23 
1035 N N    . LYS   A 64  ? 0.09057704 0.00781257 0.05988672 0.00996509  -0.00168526 0.00381581  176 LYS   A N    
1036 C CA   . LYS   A 64  ? 0.10667241 0.01757073 0.06169869 0.00588726  0.00074373  0.00309649  176 LYS   A CA   
1037 C C    . LYS   A 64  ? 0.10614286 0.02541068 0.06427372 0.01252161  0.00141269  -0.00135342 176 LYS   A C    
1038 O O    . LYS   A 64  ? 0.09934659 0.04884835 0.07168828 0.01734378  0.00186285  -0.01282245 176 LYS   A O    
1039 C CB   . LYS   A 64  ? 0.12945893 0.01738799 0.07087128 -0.00652569 0.00787616  0.00247626  176 LYS   A CB   
1040 C CG   . LYS   A 64  ? 0.16169901 0.04054609 0.08761178 -0.01490605 0.01618124  0.01526870  176 LYS   A CG   
1041 C CD   . LYS   A 64  ? 0.21272956 0.10296345 0.11995135 -0.04700913 0.02465726  0.01407405  176 LYS   A CD   
1042 C CE   . LYS   A 64  ? 0.28089339 0.14162402 0.17190306 -0.05765619 0.01014805  0.01265664  176 LYS   A CE   
1043 N NZ   . LYS   A 64  ? 0.31858748 0.24778995 0.23433459 -0.07626135 0.02109978  0.01732261  176 LYS   A NZ   
1044 H H    . LYS   A 64  ? 0.09182658 0.00762785 0.06192895 0.00997252  -0.00247759 0.00241820  176 LYS   A H    
1045 H HA   . LYS   A 64  ? 0.10628205 0.01575681 0.06329876 0.00626577  0.00127722  0.00228428  176 LYS   A HA   
1046 H HB2  . LYS   A 64  ? 0.12765045 0.02056722 0.06920726 -0.00491302 0.00731949  0.00397303  176 LYS   A HB2  
1047 H HB3  . LYS   A 64  ? 0.12762222 0.02104780 0.07021054 -0.00491127 0.00730231  0.00469080  176 LYS   A HB3  
1048 H HG2  . LYS   A 64  ? 0.15530784 0.04006686 0.08777494 -0.01674255 0.01506113  0.01282630  176 LYS   A HG2  
1049 H HG3  . LYS   A 64  ? 0.15625988 0.03962188 0.08566613 -0.01748388 0.01482416  0.01156881  176 LYS   A HG3  
1050 H HD2  . LYS   A 64  ? 0.20253812 0.08477643 0.11858048 -0.03800440 0.02005773  0.01537888  176 LYS   A HD2  
1051 H HD3  . LYS   A 64  ? 0.20733395 0.08807389 0.11731250 -0.04106150 0.01815576  0.01563673  176 LYS   A HD3  
1052 H HE2  . LYS   A 64  ? 0.26243570 0.14221656 0.16453606 -0.05675923 0.01750800  0.01499310  176 LYS   A HE2  
1053 H HE3  . LYS   A 64  ? 0.26359212 0.14442044 0.16335578 -0.05911794 0.01551776  0.01565885  176 LYS   A HE3  
1054 H HZ1  . LYS   A 64  ? 0.30560547 0.21142031 0.21406659 -0.07466066 0.01361162  0.01962856  176 LYS   A HZ1  
1055 H HZ2  . LYS   A 64  ? 0.30334803 0.20584705 0.22107333 -0.06902391 0.02212280  0.01665923  176 LYS   A HZ2  
1056 H HZ3  . LYS   A 64  ? 0.30353954 0.22305754 0.21718299 -0.07010152 0.01734089  0.00690841  176 LYS   A HZ3  
1057 N N    . LEU   A 65  ? 0.10431665 0.02554313 0.07614785 0.01834910  -0.00546465 -0.00142316 177 LEU   A N    
1058 C CA   . LEU   A 65  ? 0.11695436 0.03137384 0.07602435 0.00891740  -0.00842755 -0.00602187 177 LEU   A CA   
1059 C C    . LEU   A 65  ? 0.13369989 0.05376457 0.07607012 0.02419408  -0.00896941 -0.00536989 177 LEU   A C    
1060 O O    . LEU   A 65  ? 0.13889763 0.05907541 0.08500810 0.02737730  -0.00292906 0.00249087  177 LEU   A O    
1061 C CB   . LEU   A 65  ? 0.12479867 0.04013287 0.09617454 0.00972963  -0.00719419 -0.00724887 177 LEU   A CB   
1062 C CG   . LEU   A 65  ? 0.13098106 0.04328437 0.11300493 -0.00371266 -0.00293822 -0.00367370 177 LEU   A CG   
1063 C CD1  . LEU   A 65  ? 0.13885479 0.07315285 0.14806367 -0.00729289 0.00454110  0.00052848  177 LEU   A CD1  
1064 C CD2  . LEU   A 65  ? 0.15510784 0.04937864 0.13144802 0.00537042  0.00046616  0.00590876  177 LEU   A CD2  
1065 H H    . LEU   A 65  ? 0.10527489 0.02446929 0.07291068 0.01691122  -0.00423816 -0.00227921 177 LEU   A H    
1066 H HA   . LEU   A 65  ? 0.11903134 0.03546995 0.07941887 0.01303821  -0.00737317 -0.00509863 177 LEU   A HA   
1067 H HB2  . LEU   A 65  ? 0.12333415 0.03815652 0.09368724 0.00727875  -0.00672925 -0.00606844 177 LEU   A HB2  
1068 H HB3  . LEU   A 65  ? 0.12373596 0.03867611 0.09407397 0.00698884  -0.00667272 -0.00576540 177 LEU   A HB3  
1069 H HG   . LEU   A 65  ? 0.13314910 0.04501666 0.11370885 0.00018684  -0.00224554 -0.00364911 177 LEU   A HG   
1070 H HD11 . LEU   A 65  ? 0.13834101 0.06493836 0.13672128 -0.00816615 0.00225617  -0.00070121 177 LEU   A HD11 
1071 H HD12 . LEU   A 65  ? 0.13652383 0.06427678 0.14015250 -0.00623021 0.00187371  -0.00247775 177 LEU   A HD12 
1072 H HD13 . LEU   A 65  ? 0.13651666 0.06597876 0.14011091 -0.00597829 0.00259286  0.00254431  177 LEU   A HD13 
1073 H HD21 . LEU   A 65  ? 0.14928196 0.04862578 0.12456194 0.00468005  -0.00064328 0.00309902  177 LEU   A HD21 
1074 H HD22 . LEU   A 65  ? 0.14680897 0.04955297 0.12744473 0.00288623  -0.00074466 0.00499196  177 LEU   A HD22 
1075 H HD23 . LEU   A 65  ? 0.14678474 0.04836844 0.12641470 0.00298656  -0.00086073 0.00251534  177 LEU   A HD23 
1076 N N    . ASP   A 66  ? 0.14379004 0.06327762 0.07846404 0.02889612  -0.00760429 -0.00446868 178 ASP   A N    
1077 C CA   . ASP   A 66  ? 0.15701325 0.08510502 0.08077244 0.03107071  -0.00642767 0.00154871  178 ASP   A CA   
1078 C C    . ASP   A 66  ? 0.17552635 0.09255538 0.08419254 0.02272827  -0.00639193 0.01838183  178 ASP   A C    
1079 O O    . ASP   A 66  ? 0.23182479 0.07904391 0.08719029 0.03938126  -0.00797803 0.02279278  178 ASP   A O    
1080 C CB   . ASP   A 66  ? 0.18013881 0.11072900 0.09825206 0.02976713  -0.01103689 -0.00339048 178 ASP   A CB   
1081 C CG   . ASP   A 66  ? 0.19442327 0.11715532 0.13105187 0.02596060  -0.02224553 -0.00595797 178 ASP   A CG   
1082 O OD1  . ASP   A 66  ? 0.20737396 0.12995045 0.13117184 0.02652419  -0.01077784 0.00276736  178 ASP   A OD1  
1083 O OD2  . ASP   A 66  ? 0.22432044 0.21437503 0.23339288 -0.00853765 -0.02226061 -0.00641761 178 ASP   A OD2  
1084 H H    . ASP   A 66  ? 0.14239380 0.06331622 0.07822233 0.02780734  -0.00770454 -0.00351796 178 ASP   A H    
1085 H HA   . ASP   A 66  ? 0.15844922 0.08439530 0.08317008 0.02937666  -0.00650909 0.00212949  178 ASP   A HA   
1086 H HB2  . ASP   A 66  ? 0.17655115 0.10419428 0.09987165 0.02908238  -0.01233529 -0.00254264 178 ASP   A HB2  
1087 H HB3  . ASP   A 66  ? 0.17657176 0.10472683 0.10033688 0.02933679  -0.01200343 -0.00286312 178 ASP   A HB3  
1088 N N    . ASN   A 67  ? 0.18044996 0.09727846 0.07079159 0.02066640  0.00346507  0.00960129  179 ASN   A N    
1089 C CA   . ASN   A 67  ? 0.23549101 0.09786364 0.09925847 0.00824514  0.00309668  0.02987778  179 ASN   A CA   
1090 C C    . ASN   A 67  ? 0.25656840 0.07434624 0.08807854 0.02863520  0.01272684  0.01165675  179 ASN   A C    
1091 O O    . ASN   A 67  ? 0.34431317 0.07359065 0.18407436 0.01513893  0.02732508  0.00355774  179 ASN   A O    
1092 C CB   . ASN   A 67  ? 0.26271340 0.09897149 0.11970650 -0.01287330 0.00706293  0.03568172  179 ASN   A CB   
1093 C CG   . ASN   A 67  ? 0.26231706 0.08838670 0.15225607 0.00845332  0.02060718  0.02874570  179 ASN   A CG   
1094 O OD1  . ASN   A 67  ? 0.29288182 0.07580970 0.17403589 0.02881321  0.03130762  0.02662770  179 ASN   A OD1  
1095 N ND2  . ASN   A 67  ? 0.24632654 0.10535121 0.22173908 0.00959985  0.00544295  0.06154312  179 ASN   A ND2  
1096 H H    . ASN   A 67  ? 0.18715359 0.09569901 0.07926701 0.01875280  0.00106090  0.01477429  179 ASN   A H    
1097 H HA   . ASN   A 67  ? 0.23018639 0.09389109 0.09471365 0.01131476  0.00670244  0.02289462  179 ASN   A HA   
1098 H HB2  . ASN   A 67  ? 0.25447223 0.09850503 0.12185153 -0.00298537 0.00882501  0.03370543  179 ASN   A HB2  
1099 H HB3  . ASN   A 67  ? 0.25776854 0.10017220 0.12252617 -0.00529378 0.01018047  0.03150406  179 ASN   A HB3  
1100 H HD21 . ASN   A 67  ? 0.25240240 0.09921183 0.19496575 0.00879131  0.01067742  0.05017538  179 ASN   A HD21 
1101 H HD22 . ASN   A 67  ? 0.25172585 0.09885204 0.19595380 0.00886668  0.01058539  0.05027435  179 ASN   A HD22 
1102 N N    . ASN   A 68  ? 0.21966437 0.08109721 0.06969190 0.05052012  0.00462122  0.00840576  180 ASN   A N    
1103 C CA   . ASN   A 68  ? 0.22200264 0.09887590 0.09226732 0.05997120  0.00413757  0.01594358  180 ASN   A CA   
1104 C C    . ASN   A 68  ? 0.16809472 0.05573855 0.08329992 0.05215492  -0.00398947 0.00637404  180 ASN   A C    
1105 O O    . ASN   A 68  ? 0.17303440 0.04589318 0.08308228 0.04721783  -0.00944905 -0.00280517 180 ASN   A O    
1106 C CB   . ASN   A 68  ? 0.22356315 0.18613511 0.11568252 0.07377418  -0.00600408 0.01975682  180 ASN   A CB   
1107 C CG   . ASN   A 68  ? 0.30252525 0.27262446 0.13149457 0.05650102  -0.00743930 0.00930304  180 ASN   A CG   
1108 O OD1  . ASN   A 68  ? 0.39146519 0.37889478 0.19392480 0.05333270  -0.03680628 -0.01593405 180 ASN   A OD1  
1109 N ND2  . ASN   A 68  ? 0.36209944 0.28509602 0.14171776 0.05927584  -0.03998288 0.04580869  180 ASN   A ND2  
1110 H H    . ASN   A 68  ? 0.22620609 0.08086997 0.07812314 0.04717076  0.00605040  0.01083231  180 ASN   A H    
1111 H HA   . ASN   A 68  ? 0.20737183 0.09623186 0.08790118 0.05753922  0.00093796  0.01233423  180 ASN   A HA   
1112 H HB2  . ASN   A 68  ? 0.23223791 0.17617702 0.10998089 0.06724744  -0.00326812 0.01439189  180 ASN   A HB2  
1113 H HB3  . ASN   A 68  ? 0.23166096 0.16922575 0.10955030 0.06771697  -0.00251278 0.01597526  180 ASN   A HB3  
1114 H HD21 . ASN   A 68  ? 0.33574155 0.28179234 0.14197476 0.05755387  -0.02925364 0.03930564  180 ASN   A HD21 
1115 H HD22 . ASN   A 68  ? 0.34070730 0.28161713 0.14409481 0.05833190  -0.03064387 0.03424167  180 ASN   A HD22 
1116 N N    . TRP   A 69  ? 0.16807404 0.03726831 0.08316132 0.04071911  -0.00225754 0.01444241  181 TRP   A N    
1117 C CA   . TRP   A 69  ? 0.13539754 0.03599086 0.08233419 0.04219683  -0.00466360 0.01192792  181 TRP   A CA   
1118 C C    . TRP   A 69  ? 0.13164486 0.05874913 0.08581163 0.03808613  -0.01445259 0.00683676  181 TRP   A C    
1119 O O    . TRP   A 69  ? 0.14413692 0.11859693 0.11934172 0.04674099  -0.02263727 0.03462283  181 TRP   A O    
1120 C CB   . TRP   A 69  ? 0.14930764 0.03405257 0.09476189 0.04130332  0.01026013  0.00405933  181 TRP   A CB   
1121 C CG   . TRP   A 69  ? 0.16386558 0.03971506 0.08916134 0.01990461  0.01497607  -0.00378238 181 TRP   A CG   
1122 C CD1  . TRP   A 69  ? 0.18366592 0.04325534 0.09379873 0.00908016  0.00873342  0.01060862  181 TRP   A CD1  
1123 C CD2  . TRP   A 69  ? 0.15560319 0.02992130 0.08238313 0.00854428  0.01092124  -0.01402863 181 TRP   A CD2  
1124 N NE1  . TRP   A 69  ? 0.19049484 0.06233978 0.10946376 -0.01715807 0.01327639  0.00806114  181 TRP   A NE1  
1125 C CE2  . TRP   A 69  ? 0.16531636 0.04850040 0.07757904 -0.00532696 0.01086250  -0.01049928 181 TRP   A CE2  
1126 C CE3  . TRP   A 69  ? 0.13809830 0.02787464 0.07887944 0.00505226  0.00853214  -0.01274004 181 TRP   A CE3  
1127 C CZ2  . TRP   A 69  ? 0.15794021 0.06443304 0.08723750 -0.01485413 0.00881417  -0.02115069 181 TRP   A CZ2  
1128 C CZ3  . TRP   A 69  ? 0.14341959 0.05219185 0.07156193 -0.00037640 0.00609400  -0.01666734 181 TRP   A CZ3  
1129 C CH2  . TRP   A 69  ? 0.15491711 0.07341269 0.08623453 -0.01059826 0.00220808  -0.01415379 181 TRP   A CH2  
1130 H H    . TRP   A 69  ? 0.15951973 0.03698657 0.08257100 0.04356307  -0.00292946 0.01351050  181 TRP   A H    
1131 H HA   . TRP   A 69  ? 0.13955858 0.03691357 0.08435187 0.04394732  -0.00484425 0.01132762  181 TRP   A HA   
1132 H HB2  . TRP   A 69  ? 0.14880772 0.03505588 0.09013169 0.03742847  0.00715372  0.00482053  181 TRP   A HB2  
1133 H HB3  . TRP   A 69  ? 0.14909354 0.03582395 0.09124875 0.03700288  0.00702713  0.00429545  181 TRP   A HB3  
1134 H HD1  . TRP   A 69  ? 0.17832397 0.04376834 0.09329873 0.00802674  0.00976591  0.00839369  181 TRP   A HD1  
1135 H HE1  . TRP   A 69  ? 0.18007700 0.05296226 0.09580588 -0.00765633 0.01180335  0.00372160  181 TRP   A HE1  
1136 H HE3  . TRP   A 69  ? 0.14153557 0.03375325 0.07802826 0.00348040  0.00884721  -0.01362464 181 TRP   A HE3  
1137 H HZ2  . TRP   A 69  ? 0.15780382 0.06202894 0.08471644 -0.01181036 0.00806288  -0.01671590 181 TRP   A HZ2  
1138 H HZ3  . TRP   A 69  ? 0.14453289 0.05037969 0.07678206 -0.00103854 0.00605184  -0.01545373 181 TRP   A HZ3  
1139 H HH2  . TRP   A 69  ? 0.15298228 0.06504142 0.08262264 -0.00880488 0.00514582  -0.01636078 181 TRP   A HH2  
1140 N N    . GLY   A 70  ? 0.11743091 0.03970169 0.07344613 0.02809560  -0.01266058 -0.00340150 182 GLY   A N    
1141 C CA   . GLY   A 70  ? 0.11681727 0.02675749 0.08260593 0.02546198  -0.01508425 -0.00670648 182 GLY   A CA   
1142 C C    . GLY   A 70  ? 0.11219766 0.02537145 0.09000316 0.01908051  -0.01369759 -0.01123716 182 GLY   A C    
1143 O O    . GLY   A 70  ? 0.11500795 0.02345616 0.09761032 0.02022934  -0.01304829 -0.00965193 182 GLY   A O    
1144 H H    . GLY   A 70  ? 0.11957501 0.03945332 0.07782821 0.02983432  -0.01363409 -0.00181304 182 GLY   A H    
1145 H HA2  . GLY   A 70  ? 0.11587305 0.02906322 0.08226642 0.02484329  -0.01435735 -0.00661390 182 GLY   A HA2  
1146 H HA3  . GLY   A 70  ? 0.11584736 0.02704776 0.08232748 0.02483579  -0.01426908 -0.00640665 182 GLY   A HA3  
1147 N N    . ARG   A 71  ? 0.11885072 0.02749313 0.10769016 0.00983148  -0.01222169 -0.01268905 183 ARG   A N    
1148 C CA   . ARG   A 71  ? 0.11532052 0.03990266 0.10882232 0.00638619  -0.00631788 -0.01456933 183 ARG   A CA   
1149 C C    . ARG   A 71  ? 0.10980935 0.01707495 0.09397493 0.01794276  -0.00354941 -0.00853575 183 ARG   A C    
1150 O O    . ARG   A 71  ? 0.13846485 0.01650417 0.10168000 0.01981957  -0.00816323 0.00300162  183 ARG   A O    
1151 C CB   . ARG   A 71  ? 0.13594322 0.08891339 0.14681399 -0.01454999 -0.00256070 -0.02088348 183 ARG   A CB   
1152 C CG   . ARG   A 71  ? 0.17433879 0.14578559 0.19856995 -0.02546447 0.01138218  -0.01252963 183 ARG   A CG   
1153 C CD   . ARG   A 71  ? 0.22798428 0.16697189 0.24464759 -0.04678962 0.00116584  0.00631789  183 ARG   A CD   
1154 N NE   . ARG   A 71  ? 0.28896970 0.20756060 0.30486071 -0.05292396 -0.00681400 0.03882264  183 ARG   A NE   
1155 C CZ   . ARG   A 71  ? 0.34607852 0.18454710 0.35107747 -0.03898626 -0.03154698 0.05221811  183 ARG   A CZ   
1156 N NH1  . ARG   A 71  ? 0.39820197 0.30143091 0.37410066 0.00505468  -0.04752679 -0.00235479 183 ARG   A NH1  
1157 N NH2  . ARG   A 71  ? 0.35223296 0.23323905 0.36804280 0.00363901  -0.04158419 0.03812357  183 ARG   A NH2  
1158 H H    . ARG   A 71  ? 0.11649746 0.02783082 0.10319163 0.01106682  -0.01140471 -0.01320567 183 ARG   A H    
1159 H HA   . ARG   A 71  ? 0.11727761 0.03909138 0.10938770 0.00653985  -0.00639214 -0.01402403 183 ARG   A HA   
1160 H HB2  . ARG   A 71  ? 0.13438620 0.07974216 0.14064670 -0.01031900 -0.00046335 -0.01761753 183 ARG   A HB2  
1161 H HB3  . ARG   A 71  ? 0.13473770 0.08531535 0.13978019 -0.01266525 -0.00112430 -0.01793814 183 ARG   A HB3  
1162 H HG2  . ARG   A 71  ? 0.17151068 0.12768988 0.18932250 -0.02493261 0.00959221  -0.01076195 183 ARG   A HG2  
1163 H HG3  . ARG   A 71  ? 0.17125154 0.13340418 0.18720657 -0.02912449 0.00682148  -0.01238653 183 ARG   A HG3  
1164 H HD2  . ARG   A 71  ? 0.22313152 0.16789515 0.24271776 -0.04224353 0.00102900  0.00796114  183 ARG   A HD2  
1165 H HD3  . ARG   A 71  ? 0.22180879 0.16689436 0.24107838 -0.04187195 0.00304461  0.00750004  183 ARG   A HD3  
1166 H HE   . ARG   A 71  ? 0.28116307 0.19519870 0.30070075 -0.04846116 -0.01082990 0.03770399  183 ARG   A HE   
1167 H HH11 . ARG   A 71  ? 0.37891436 0.26182032 0.37414762 -0.01335675 -0.03825426 0.01305503  183 ARG   A HH11 
1168 H HH12 . ARG   A 71  ? 0.37714651 0.27064717 0.36320809 -0.01980245 -0.03906676 0.01459102  183 ARG   A HH12 
1169 H HH21 . ARG   A 71  ? 0.35060135 0.21793081 0.36402485 -0.01040962 -0.03771977 0.04204407  183 ARG   A HH21 
1170 H HH22 . ARG   A 71  ? 0.34895554 0.21781845 0.36328945 -0.01099727 -0.03782415 0.04389463  183 ARG   A HH22 
1171 N N    . GLU   A 72  ? 0.10793468 0.01278666 0.09974793 0.02024499  -0.01389252 -0.00460361 184 GLU   A N    
1172 C CA   . GLU   A 72  ? 0.09700913 0.02202845 0.09675093 0.02022793  -0.00969002 -0.01144692 184 GLU   A CA   
1173 C C    . GLU   A 72  ? 0.09101814 0.02739296 0.09939174 0.01826309  0.00048427  -0.01305604 184 GLU   A C    
1174 O O    . GLU   A 72  ? 0.08785897 0.08132553 0.11212230 0.02525765  -0.00058258 0.00599348  184 GLU   A O    
1175 C CB   . GLU   A 72  ? 0.11224248 0.02289462 0.10816886 0.01418139  -0.01636445 -0.00846050 184 GLU   A CB   
1176 C CG   . GLU   A 72  ? 0.12217757 0.02230206 0.10352474 0.01186573  -0.01212474 -0.01264428 184 GLU   A CG   
1177 C CD   . GLU   A 72  ? 0.13920191 0.02414029 0.11821754 0.01098656  -0.00699984 -0.01308222 184 GLU   A CD   
1178 O OE1  . GLU   A 72  ? 0.16147044 0.04046514 0.13808019 0.01269747  0.01085037  -0.01669690 184 GLU   A OE1  
1179 O OE2  . GLU   A 72  ? 0.15189445 0.01482626 0.11611987 0.01633666  -0.01197108 -0.00050932 184 GLU   A OE2  
1180 H H    . GLU   A 72  ? 0.10509232 0.01370469 0.09728329 0.02107750  -0.01140001 -0.00581713 184 GLU   A H    
1181 H HA   . GLU   A 72  ? 0.09860165 0.02105978 0.09925687 0.01959023  -0.00905682 -0.01004100 184 GLU   A HA   
1182 H HB2  . GLU   A 72  ? 0.11170544 0.02278704 0.10442381 0.01471640  -0.01364594 -0.01006827 184 GLU   A HB2  
1183 H HB3  . GLU   A 72  ? 0.11079919 0.02263733 0.10486554 0.01515676  -0.01337646 -0.01003073 184 GLU   A HB3  
1184 H HG2  . GLU   A 72  ? 0.12280025 0.02269949 0.10723661 0.01228758  -0.01226237 -0.01168182 184 GLU   A HG2  
1185 H HG3  . GLU   A 72  ? 0.12303804 0.02298823 0.10637677 0.01222748  -0.01307849 -0.01169370 184 GLU   A HG3  
1186 N N    . GLU   A 73  ? 0.08376097 0.02777844 0.08436945 0.01453841  0.00829775  -0.01050646 185 GLU   A N    
1187 C CA   . GLU   A 73  ? 0.09134666 0.01956652 0.08846847 0.01110172  0.00943356  -0.01306779 185 GLU   A CA   
1188 C C    . GLU   A 73  ? 0.09302779 0.03930716 0.09198191 0.00948083  0.01136112  -0.02107881 185 GLU   A C    
1189 O O    . GLU   A 73  ? 0.08883033 0.07712726 0.09746510 -0.00121855 0.00713532  -0.04280854 185 GLU   A O    
1190 C CB   . GLU   A 73  ? 0.10894205 0.01993077 0.09578140 0.00954952  0.00869422  -0.00651767 185 GLU   A CB   
1191 C CG   . GLU   A 73  ? 0.12601592 0.02688982 0.10344739 0.00591871  -0.00053229 -0.00698218 185 GLU   A CG   
1192 C CD   . GLU   A 73  ? 0.13282932 0.02864905 0.10345408 0.00933783  0.00182643  -0.00389836 185 GLU   A CD   
1193 O OE1  . GLU   A 73  ? 0.17001703 0.03322554 0.11260743 0.01518831  -0.01105142 0.00252682  185 GLU   A OE1  
1194 O OE2  . GLU   A 73  ? 0.14959286 0.02745750 0.11129286 0.00558724  0.00271238  -0.00365109 185 GLU   A OE2  
1195 H H    . GLU   A 73  ? 0.08508407 0.02570633 0.08844997 0.01489488  0.00730181  -0.01170041 185 GLU   A H    
1196 H HA   . GLU   A 73  ? 0.09218518 0.02500581 0.08967473 0.01141148  0.00946337  -0.01287811 185 GLU   A HA   
1197 H HB2  . GLU   A 73  ? 0.10786565 0.02117589 0.09515335 0.00918775  0.00704265  -0.00825032 185 GLU   A HB2  
1198 H HB3  . GLU   A 73  ? 0.10755666 0.02118226 0.09486362 0.00922896  0.00711156  -0.00815050 185 GLU   A HB3  
1199 H HG2  . GLU   A 73  ? 0.12443751 0.02550791 0.10175665 0.00738883  0.00215350  -0.00623788 185 GLU   A HG2  
1200 H HG3  . GLU   A 73  ? 0.12324834 0.02554595 0.10289907 0.00769103  0.00185630  -0.00652419 185 GLU   A HG3  
1201 N N    . ARG   A 74  ? 0.09683175 0.04598341 0.10964587 0.01000886  0.01400178  -0.03057902 186 ARG   A N    
1202 C CA   . ARG   A 74  ? 0.11596370 0.04712937 0.11510499 -0.00301260 0.01671347  -0.02890687 186 ARG   A CA   
1203 C C    . ARG   A 74  ? 0.15004016 0.08314161 0.11630036 -0.02445199 0.02650760  -0.03729554 186 ARG   A C    
1204 O O    . ARG   A 74  ? 0.16655280 0.14396919 0.13665353 -0.04707128 0.03858242  -0.04343172 186 ARG   A O    
1205 C CB   . ARG   A 74  ? 0.13694692 0.05178702 0.13252431 0.00423577  0.01362516  -0.04117058 186 ARG   A CB   
1206 C CG   . ARG   A 74  ? 0.13642441 0.04625086 0.13863006 0.00229025  0.00505902  -0.02883074 186 ARG   A CG   
1207 C CD   . ARG   A 74  ? 0.15048343 0.06484100 0.15842983 0.00940984  0.00271737  -0.02827033 186 ARG   A CD   
1208 N NE   . ARG   A 74  ? 0.15994909 0.06261974 0.14954123 0.01508092  -0.00372186 -0.02604898 186 ARG   A NE   
1209 C CZ   . ARG   A 74  ? 0.14668773 0.05241828 0.14824198 0.02578001  -0.00956418 -0.02927703 186 ARG   A CZ   
1210 N NH1  . ARG   A 74  ? 0.15841796 0.06363279 0.15433946 0.01658419  -0.01321647 -0.03324099 186 ARG   A NH1  
1211 N NH2  . ARG   A 74  ? 0.14801872 0.05047543 0.14816070 0.02257973  -0.00973196 -0.02493419 186 ARG   A NH2  
1212 H H    . ARG   A 74  ? 0.09882332 0.04392394 0.10554686 0.00721236  0.01381674  -0.02743583 186 ARG   A H    
1213 H HA   . ARG   A 74  ? 0.11803455 0.05319836 0.11599092 -0.00285240 0.01739977  -0.03249054 186 ARG   A HA   
1214 H HB2  . ARG   A 74  ? 0.13411266 0.04936638 0.12914959 0.00239968  0.01251552  -0.03551877 186 ARG   A HB2  
1215 H HB3  . ARG   A 74  ? 0.13194567 0.04895582 0.12853736 0.00178148  0.01239875  -0.03605361 186 ARG   A HB3  
1216 H HG2  . ARG   A 74  ? 0.13703299 0.05026896 0.14039283 0.00339923  0.00635052  -0.03138553 186 ARG   A HG2  
1217 H HG3  . ARG   A 74  ? 0.13826090 0.05069599 0.14023355 0.00404212  0.00666669  -0.03162061 186 ARG   A HG3  
1218 H HD2  . ARG   A 74  ? 0.15022688 0.06002072 0.15166309 0.00962804  0.00227533  -0.02727540 186 ARG   A HD2  
1219 H HD3  . ARG   A 74  ? 0.14982061 0.06106139 0.15308174 0.00862973  0.00093455  -0.02643039 186 ARG   A HD3  
1220 H HE   . ARG   A 74  ? 0.15432677 0.06033723 0.15098608 0.01655174  -0.00382219 -0.02738336 186 ARG   A HE   
1221 H HH11 . ARG   A 74  ? 0.15500361 0.06018150 0.15241013 0.01994720  -0.01205730 -0.03186755 186 ARG   A HH11 
1222 H HH12 . ARG   A 74  ? 0.15500447 0.06034694 0.15337661 0.01970597  -0.01229258 -0.03227140 186 ARG   A HH12 
1223 H HH21 . ARG   A 74  ? 0.14781336 0.05063884 0.14826354 0.02315871  -0.00976703 -0.02636670 186 ARG   A HH21 
1224 H HH22 . ARG   A 74  ? 0.14779630 0.05125358 0.14868766 0.02336444  -0.00959063 -0.02605087 186 ARG   A HH22 
1225 N N    . GLN   A 75  ? 0.19671899 0.09708878 0.09474269 -0.05404606 0.02660042  -0.04191634 187 GLN   A N    
1226 C CA   . GLN   A 75  ? 0.25940290 0.14000748 0.12124553 -0.06584881 0.00589533  -0.04470945 187 GLN   A CA   
1227 C C    . GLN   A 75  ? 0.22771573 0.12319161 0.09649102 -0.06991065 0.01938266  -0.03220705 187 GLN   A C    
1228 O O    . GLN   A 75  ? 0.25574014 0.13427952 0.11623187 -0.09090038 0.06240997  -0.06327745 187 GLN   A O    
1229 C CB   . GLN   A 75  ? 0.30475748 0.10604625 0.17014402 -0.06690980 -0.00290599 -0.00643328 187 GLN   A CB   
1230 C CG   . GLN   A 75  ? 0.36917779 0.10765177 0.23582138 -0.08106922 -0.01063863 -0.00703808 187 GLN   A CG   
1231 C CD   . GLN   A 75  ? 0.43120584 0.17600434 0.31804621 -0.11171469 -0.00918982 0.03329705  187 GLN   A CD   
1232 O OE1  . GLN   A 75  ? 0.47214136 0.21923478 0.39131400 -0.15045501 -0.08127946 0.06396304  187 GLN   A OE1  
1233 N NE2  . GLN   A 75  ? 0.49428460 0.19319014 0.42061719 -0.15036255 -0.01268627 0.03831976  187 GLN   A NE2  
1234 H H    . GLN   A 75  ? 0.19003260 0.09754820 0.10381315 -0.04922520 0.02465017  -0.03946837 187 GLN   A H    
1235 H HA   . GLN   A 75  ? 0.24911609 0.12183593 0.11716451 -0.06099470 0.00914067  -0.03665575 187 GLN   A HA   
1236 H HB2  . GLN   A 75  ? 0.30268529 0.11800998 0.16869916 -0.06819917 -0.00161107 -0.01435271 187 GLN   A HB2  
1237 H HB3  . GLN   A 75  ? 0.30054876 0.11462414 0.16683562 -0.06763583 -0.00253692 -0.01597949 187 GLN   A HB3  
1238 H HG2  . GLN   A 75  ? 0.35905799 0.11161391 0.22933973 -0.08085264 -0.00799727 0.00001869  187 GLN   A HG2  
1239 H HG3  . GLN   A 75  ? 0.35895455 0.11609172 0.22824164 -0.08207844 -0.00806405 0.00032113  187 GLN   A HG3  
1240 H HE21 . GLN   A 75  ? 0.47101468 0.19289580 0.38959736 -0.13780226 -0.01550302 0.04422035  187 GLN   A HE21 
1241 H HE22 . GLN   A 75  ? 0.47934616 0.18891506 0.38932297 -0.13598520 -0.01861992 0.03766007  187 GLN   A HE22 
1242 N N    . SER   A 76  ? 0.17958254 0.10444246 0.11503600 -0.04607765 0.01297850  -0.00586257 188 SER   A N    
1243 C CA   . SER   A 76  ? 0.16862999 0.08225901 0.10959902 -0.00368950 0.00635158  -0.00921656 188 SER   A CA   
1244 C C    . SER   A 76  ? 0.16842540 0.06127646 0.10000910 -0.00582052 0.00634722  -0.00842332 188 SER   A C    
1245 O O    . SER   A 76  ? 0.18294720 0.04644811 0.12524393 0.00240994  -0.00894747 -0.00991870 188 SER   A O    
1246 C CB   . SER   A 76  ? 0.18172762 0.11253063 0.14429675 0.01322547  -0.00533271 -0.01184130 188 SER   A CB   
1247 O OG   . SER   A 76  ? 0.20427883 0.16353624 0.18494961 0.00942861  -0.01893047 -0.00541446 188 SER   A OG   
1248 H H    . SER   A 76  ? 0.18318799 0.10186059 0.10878669 -0.04363941 0.01475706  -0.01119998 188 SER   A H    
1249 H HA   . SER   A 76  ? 0.17299207 0.08621109 0.11291078 -0.00985733 0.00618959  -0.00903233 188 SER   A HA   
1250 H HB2  . SER   A 76  ? 0.18280670 0.11275501 0.14124541 0.00934184  -0.00572169 -0.01083190 188 SER   A HB2  
1251 H HB3  . SER   A 76  ? 0.18179899 0.11185510 0.14070380 0.00857273  -0.00436292 -0.00915521 188 SER   A HB3  
1252 H HG   . SER   A 76  ? 0.18706423 0.18706423 0.18706423 0.00000000  0.00000000  0.00000000  188 SER   A HG   
1253 N N    . VAL   A 77  ? 0.16885172 0.06379940 0.11158571 -0.00862626 0.01327468  -0.00129183 189 VAL   A N    
1254 C CA   . VAL   A 77  ? 0.17312525 0.05583153 0.11395444 -0.00582648 0.01394364  -0.00438402 189 VAL   A CA   
1255 C C    . VAL   A 77  ? 0.15945669 0.02695061 0.10590202 0.00388180  0.01742357  -0.01180909 189 VAL   A C    
1256 O O    . VAL   A 77  ? 0.17397255 0.05120881 0.11212146 0.00786008  0.01271345  -0.02368254 189 VAL   A O    
1257 C CB   . VAL   A 77  ? 0.20302090 0.06586494 0.13896172 -0.00645416 0.01298021  0.00780160  189 VAL   A CB   
1258 C CG1  . VAL   A 77  ? 0.21816362 0.09116870 0.15990162 0.00253549  0.00624424  0.01296437  189 VAL   A CG1  
1259 C CG2  . VAL   A 77  ? 0.21084715 0.10377488 0.15893324 -0.02550678 0.02149486  0.02686384  189 VAL   A CG2  
1260 H H    . VAL   A 77  ? 0.17046939 0.06225787 0.10955238 -0.00735526 0.01186386  -0.00342538 189 VAL   A H    
1261 H HA   . VAL   A 77  ? 0.17275500 0.05209009 0.11511146 -0.00415183 0.01428726  -0.00331793 189 VAL   A HA   
1262 H HB   . VAL   A 77  ? 0.19891214 0.07125837 0.13736622 -0.00839146 0.01303916  0.00786051  189 VAL   A HB   
1263 H HG11 . VAL   A 77  ? 0.21362145 0.08645830 0.15575954 0.00067830  0.00875076  0.01365536  189 VAL   A HG11 
1264 H HG12 . VAL   A 77  ? 0.21481009 0.08361562 0.15442538 -0.00035893 0.00675455  0.01154364  189 VAL   A HG12 
1265 H HG13 . VAL   A 77  ? 0.21359062 0.08760650 0.15496236 0.00061904  0.00771056  0.00949417  189 VAL   A HG13 
1266 H HG21 . VAL   A 77  ? 0.20872249 0.09500899 0.15394689 -0.01863841 0.01897100  0.01988360  189 VAL   A HG21 
1267 H HG22 . VAL   A 77  ? 0.21016109 0.09233708 0.15401267 -0.01956624 0.02028675  0.02086505  189 VAL   A HG22 
1268 H HG23 . VAL   A 77  ? 0.20873782 0.09532123 0.15680742 -0.01857184 0.01978064  0.02455045  189 VAL   A HG23 
1269 N N    . PHE   A 78  ? 0.15080582 0.03155384 0.10107131 0.00997633  0.02046036  -0.01632312 190 PHE   A N    
1270 C CA   . PHE   A 78  ? 0.13312317 0.02175557 0.09766505 0.01445521  0.01050752  -0.01293563 190 PHE   A CA   
1271 C C    . PHE   A 78  ? 0.15116683 0.02703557 0.09128357 0.02241596  -0.00149052 -0.00926907 190 PHE   A C    
1272 O O    . PHE   A 78  ? 0.19535668 0.03775497 0.10611506 0.03629721  -0.01801191 -0.02187894 190 PHE   A O    
1273 C CB   . PHE   A 78  ? 0.12599453 0.02180737 0.10593966 0.01944678  0.00416892  -0.01427121 190 PHE   A CB   
1274 C CG   . PHE   A 78  ? 0.11590669 0.01077017 0.09673736 0.01846186  -0.00492398 -0.00859328 190 PHE   A CG   
1275 C CD1  . PHE   A 78  ? 0.11794923 0.01319245 0.09406929 0.01897806  -0.00734117 -0.00809010 190 PHE   A CD1  
1276 C CD2  . PHE   A 78  ? 0.11415005 0.00890533 0.09736771 0.01160712  -0.01017998 -0.01201301 190 PHE   A CD2  
1277 C CE1  . PHE   A 78  ? 0.10921279 0.01807904 0.10646813 0.00743645  -0.00810207 -0.00825683 190 PHE   A CE1  
1278 C CE2  . PHE   A 78  ? 0.11470260 0.01248375 0.09669548 0.01496635  -0.00723834 -0.01402919 190 PHE   A CE2  
1279 C CZ   . PHE   A 78  ? 0.10669969 0.01995763 0.10648905 0.01300298  -0.00183216 -0.00680553 190 PHE   A CZ   
1280 H H    . PHE   A 78  ? 0.14827277 0.02806835 0.10008739 0.00970701  0.01734842  -0.01472403 190 PHE   A H    
1281 H HA   . PHE   A 78  ? 0.13808841 0.02371610 0.09856118 0.01595509  0.00900603  -0.01403680 190 PHE   A HA   
1282 H HB2  . PHE   A 78  ? 0.12556338 0.01882662 0.10206983 0.01807709  0.00356125  -0.01246573 190 PHE   A HB2  
1283 H HB3  . PHE   A 78  ? 0.12551753 0.01964346 0.10285487 0.01818854  0.00316111  -0.01207783 190 PHE   A HB3  
1284 H HD1  . PHE   A 78  ? 0.11559408 0.01379444 0.09600364 0.01625952  -0.00714614 -0.00860420 190 PHE   A HD1  
1285 H HD2  . PHE   A 78  ? 0.11321063 0.00929961 0.09694806 0.01325165  -0.00876473 -0.01199633 190 PHE   A HD2  
1286 H HE1  . PHE   A 78  ? 0.10912953 0.01699895 0.10321248 0.01072215  -0.00714020 -0.00823134 190 PHE   A HE1  
1287 H HE2  . PHE   A 78  ? 0.11285722 0.01097567 0.09762958 0.01389629  -0.00689188 -0.01225680 190 PHE   A HE2  
1288 H HZ   . PHE   A 78  ? 0.10883150 0.01728744 0.10327958 0.01199243  -0.00405232 -0.00865230 190 PHE   A HZ   
1289 N N    . PRO   A 79  ? 0.13946211 0.00895244 0.12039037 0.00635291  -0.00187892 -0.00941768 191 PRO   A N    
1290 C CA   . PRO   A 79  ? 0.15660532 0.03471693 0.12479359 0.01412092  -0.00714520 0.00794499  191 PRO   A CA   
1291 C C    . PRO   A 79  ? 0.14356518 0.06098443 0.11375426 0.01386757  -0.02464838 0.01382817  191 PRO   A C    
1292 O O    . PRO   A 79  ? 0.17217946 0.16689101 0.14367163 -0.01128630 -0.03488102 0.06534252  191 PRO   A O    
1293 C CB   . PRO   A 79  ? 0.15824245 0.03072209 0.15120225 0.01240932  -0.00947605 0.01900965  191 PRO   A CB   
1294 C CG   . PRO   A 79  ? 0.16132030 0.02037193 0.16185319 0.01582112  -0.00795007 -0.01123957 191 PRO   A CG   
1295 C CD   . PRO   A 79  ? 0.13996795 0.02670162 0.13473749 0.01112981  -0.00347102 -0.02622898 191 PRO   A CD   
1296 H HA   . PRO   A 79  ? 0.15034580 0.03219696 0.12498252 0.01230331  -0.00937286 0.00657687  191 PRO   A HA   
1297 H HB2  . PRO   A 79  ? 0.15798095 0.02977635 0.14686735 0.01349074  -0.00875538 0.01005739  191 PRO   A HB2  
1298 H HB3  . PRO   A 79  ? 0.15772673 0.02901919 0.14656878 0.01304795  -0.00796158 0.01023092  191 PRO   A HB3  
1299 H HG2  . PRO   A 79  ? 0.15691318 0.02389264 0.15309870 0.01425677  -0.00873333 -0.00862757 191 PRO   A HG2  
1300 H HG3  . PRO   A 79  ? 0.15491773 0.02197905 0.15221967 0.01335959  -0.00753049 -0.00856638 191 PRO   A HG3  
1301 H HD2  . PRO   A 79  ? 0.14341764 0.02094411 0.13652541 0.01089907  -0.00390067 -0.01924522 191 PRO   A HD2  
1302 H HD3  . PRO   A 79  ? 0.14320144 0.02082070 0.13524000 0.01080105  -0.00371446 -0.01889430 191 PRO   A HD3  
1303 N N    . PHE   A 80  ? 0.12739542 0.01900015 0.08974133 0.00348723  -0.01914194 -0.00390832 192 PHE   A N    
1304 C CA   . PHE   A 80  ? 0.12125115 0.01238262 0.08940135 0.01385248  -0.01646043 -0.00691149 192 PHE   A CA   
1305 C C    . PHE   A 80  ? 0.12462041 0.01344569 0.10024056 0.01412117  -0.02436686 -0.00976908 192 PHE   A C    
1306 O O    . PHE   A 80  ? 0.13264656 0.03289030 0.14779508 0.01475301  -0.03003081 -0.02572432 192 PHE   A O    
1307 C CB   . PHE   A 80  ? 0.11609633 0.00722647 0.08947171 0.00969453  -0.01142070 -0.00276490 192 PHE   A CB   
1308 C CG   . PHE   A 80  ? 0.10870799 0.00907434 0.07495796 0.00466026  -0.00925013 -0.00039346 192 PHE   A CG   
1309 C CD1  . PHE   A 80  ? 0.10539586 0.01534081 0.08159114 0.00234616  -0.01058228 0.00032959  192 PHE   A CD1  
1310 C CD2  . PHE   A 80  ? 0.11055004 0.02381016 0.07229821 0.00809257  -0.01259925 -0.00326778 192 PHE   A CD2  
1311 C CE1  . PHE   A 80  ? 0.11196399 0.02143544 0.08375840 0.00931755  -0.00966356 -0.00589564 192 PHE   A CE1  
1312 C CE2  . PHE   A 80  ? 0.11879678 0.03023262 0.06920951 -0.00252081 -0.01026982 -0.00902875 192 PHE   A CE2  
1313 C CZ   . PHE   A 80  ? 0.12543179 0.01508172 0.07060458 0.00091660  -0.01023248 -0.00897318 192 PHE   A CZ   
1314 H H    . PHE   A 80  ? 0.12788555 0.02286511 0.09300381 0.00815370  -0.01939437 -0.00142802 192 PHE   A H    
1315 H HA   . PHE   A 80  ? 0.12143332 0.01262227 0.09136783 0.01173041  -0.01786835 -0.00561248 192 PHE   A HA   
1316 H HB2  . PHE   A 80  ? 0.11526544 0.00866381 0.08568499 0.00928856  -0.01190317 -0.00310778 192 PHE   A HB2  
1317 H HB3  . PHE   A 80  ? 0.11539722 0.00857768 0.08572347 0.00941457  -0.01200752 -0.00310349 192 PHE   A HB3  
1318 H HD1  . PHE   A 80  ? 0.10692599 0.01499003 0.08005348 0.00408629  -0.01051763 -0.00150313 192 PHE   A HD1  
1319 H HD2  . PHE   A 80  ? 0.11088911 0.02093676 0.07244738 0.00566826  -0.01117362 -0.00389066 192 PHE   A HD2  
1320 H HE1  . PHE   A 80  ? 0.11222940 0.01772582 0.07979444 0.00654497  -0.00994714 -0.00515781 192 PHE   A HE1  
1321 H HE2  . PHE   A 80  ? 0.11781639 0.02479723 0.07037182 0.00080856  -0.01101984 -0.00760693 192 PHE   A HE2  
1322 H HZ   . PHE   A 80  ? 0.12072997 0.01606901 0.07217152 0.00210792  -0.01015595 -0.01003874 192 PHE   A HZ   
1323 N N    . GLU   A 81  ? 0.12780218 0.01339820 0.10089611 0.01787946  -0.02090636 -0.01941770 193 GLU   A N    
1324 C CA   . GLU   A 81  ? 0.12773561 0.01388862 0.09883192 0.01485106  -0.02463960 -0.01797756 193 GLU   A CA   
1325 C C    . GLU   A 81  ? 0.13102169 0.02084010 0.10074560 0.01998987  -0.01932844 -0.01496739 193 GLU   A C    
1326 O O    . GLU   A 81  ? 0.13034278 0.02696327 0.11804751 0.01890437  -0.00363547 -0.02196394 193 GLU   A O    
1327 C CB   . GLU   A 81  ? 0.13619500 0.02945385 0.10053866 0.01595782  -0.01856903 -0.01639979 193 GLU   A CB   
1328 C CG   . GLU   A 81  ? 0.15516300 0.05084083 0.10806854 0.01453506  -0.01152769 -0.01141585 193 GLU   A CG   
1329 C CD   . GLU   A 81  ? 0.16713627 0.06468048 0.13273796 0.02304200  -0.00786934 -0.01149085 193 GLU   A CD   
1330 O OE1  . GLU   A 81  ? 0.17277727 0.07195671 0.14683665 0.03845048  -0.00091906 -0.00184297 193 GLU   A OE1  
1331 O OE2  . GLU   A 81  ? 0.20229383 0.13285539 0.16215323 0.00187651  0.00395440  -0.03706444 193 GLU   A OE2  
1332 H H    . GLU   A 81  ? 0.12623188 0.01311639 0.10008758 0.01682686  -0.02235146 -0.01669604 193 GLU   A H    
1333 H HA   . GLU   A 81  ? 0.12914754 0.01735536 0.10026869 0.01713463  -0.02198249 -0.01703324 193 GLU   A HA   
1334 H HB2  . GLU   A 81  ? 0.13666189 0.02849628 0.10115668 0.01554393  -0.01862434 -0.01569936 193 GLU   A HB2  
1335 H HB3  . GLU   A 81  ? 0.13755749 0.02901445 0.10177076 0.01572054  -0.01851951 -0.01572557 193 GLU   A HB3  
1336 H HG2  . GLU   A 81  ? 0.15124917 0.04870629 0.10993145 0.01733145  -0.01252499 -0.01180359 193 GLU   A HG2  
1337 H HG3  . GLU   A 81  ? 0.15133998 0.04704875 0.10939727 0.01673011  -0.01275347 -0.01250542 193 GLU   A HG3  
1338 N N    A SER   A 82  ? 0.14045060 0.02902930 0.10742320 0.01861962  -0.01556787 -0.00429846 194 SER   A N    
1339 N N    B SER   A 82  ? 0.13671428 0.02612985 0.11305963 0.01824493  -0.01114014 -0.00660590 194 SER   A N    
1340 C CA   A SER   A 82  ? 0.16356586 0.03801268 0.10519027 0.01138837  -0.00989845 -0.00223095 194 SER   A CA   
1341 C CA   B SER   A 82  ? 0.15570818 0.03317479 0.11593185 0.01285186  -0.00190704 -0.00683881 194 SER   A CA   
1342 C C    A SER   A 82  ? 0.15945089 0.01742382 0.10115204 0.00098011  -0.00356983 -0.00845877 194 SER   A C    
1343 C C    B SER   A 82  ? 0.15787849 0.01409770 0.10681093 0.00132443  0.00022875  -0.00992224 194 SER   A C    
1344 O O    A SER   A 82  ? 0.17721589 0.05277164 0.10477577 -0.00405562 0.00373092  -0.02892031 194 SER   A O    
1345 O O    B SER   A 82  ? 0.17921197 0.04991685 0.11017165 -0.00355783 0.00834606  -0.02945451 194 SER   A O    
1346 C CB   A SER   A 82  ? 0.18386088 0.05143448 0.13531248 0.01827152  -0.01505011 0.00762292  194 SER   A CB   
1347 C CB   B SER   A 82  ? 0.16577747 0.04826023 0.15117349 0.01883220  -0.00149382 0.00604471  194 SER   A CB   
1348 O OG   A SER   A 82  ? 0.22312029 0.10728110 0.16597314 0.03693098  -0.04425874 0.02387499  194 SER   A OG   
1349 O OG   B SER   A 82  ? 0.20432216 0.08260297 0.19196975 0.02550245  0.00821737  -0.01319854 194 SER   A OG   
1350 H H    A SER   A 82  ? 0.14109348 0.02787733 0.10499065 0.01783429  -0.01546651 -0.00687187 194 SER   A H    
1351 H H    B SER   A 82  ? 0.13775431 0.02546758 0.10980769 0.01793199  -0.01150499 -0.00902139 194 SER   A H    
1352 H HA   A SER   A 82  ? 0.15939215 0.03299112 0.10813217 0.01174365  -0.01030336 -0.00279714 194 SER   A HA   
1353 H HA   B SER   A 82  ? 0.15233368 0.02907799 0.11678224 0.01257641  -0.00329041 -0.00595598 194 SER   A HA   
1354 H HB2  A SER   A 82  ? 0.18267706 0.05492894 0.13031849 0.01948752  -0.01884387 0.00800707  194 SER   A HB2  
1355 H HB2  B SER   A 82  ? 0.16813481 0.04821038 0.14607687 0.01792524  0.00036486  -0.00123154 194 SER   A HB2  
1356 H HB3  A SER   A 82  ? 0.18226880 0.05461448 0.13057999 0.01904182  -0.01837225 0.00775979  194 SER   A HB3  
1357 H HB3  B SER   A 82  ? 0.16793999 0.04837872 0.14561316 0.01830363  0.00010060  -0.00103921 194 SER   A HB3  
1358 H HG   A SER   A 82  ? 0.16837046 0.16837046 0.16837046 0.00000000  0.00000000  0.00000000  194 SER   A HG   
1359 H HG   B SER   A 82  ? 0.16386168 0.16386168 0.16386168 0.00000000  0.00000000  0.00000000  194 SER   A HG   
1360 N N    . GLY   A 83  ? 0.14449398 0.00783011 0.08673504 -0.00184770 -0.00453121 -0.00435648 195 GLY   A N    
1361 C CA   . GLY   A 83  ? 0.14153834 0.00807464 0.09866734 -0.01418197 -0.00101541 -0.00474062 195 GLY   A CA   
1362 C C    . GLY   A 83  ? 0.12045424 0.01490053 0.08750825 -0.01667396 -0.00258828 -0.00002533 195 GLY   A C    
1363 O O    . GLY   A 83  ? 0.12631911 0.05292513 0.12012827 -0.03480792 -0.01017524 0.02135639  195 GLY   A O    
1364 H H    . GLY   A 83  ? 0.14852652 0.01001867 0.09119195 -0.00283649 -0.00299578 -0.00710128 195 GLY   A H    
1365 H HA2  . GLY   A 83  ? 0.13769343 0.00835260 0.09369683 -0.01180411 -0.00288189 -0.00389133 195 GLY   A HA2  
1366 H HA3  . GLY   A 83  ? 0.13744721 0.00812559 0.09310542 -0.01179287 -0.00228707 -0.00426547 195 GLY   A HA3  
1367 N N    . LYS   A 84  ? 0.11597989 0.00706937 0.07646012 -0.00769253 -0.00717402 -0.00320188 196 LYS   A N    
1368 C CA   . LYS   A 84  ? 0.10886461 0.00768422 0.06937312 -0.00089460 -0.00590178 -0.00912775 196 LYS   A CA   
1369 C C    . LYS   A 84  ? 0.10664349 0.01021820 0.07284719 -0.00205133 -0.00598490 -0.01582396 196 LYS   A C    
1370 O O    . LYS   A 84  ? 0.11917597 0.00876808 0.07205372 0.00293246  -0.00653583 -0.01258601 196 LYS   A O    
1371 C CB   . LYS   A 84  ? 0.10792250 0.00792350 0.07086298 0.00110851  -0.00716017 -0.01013220 196 LYS   A CB   
1372 C CG   . LYS   A 84  ? 0.10543221 0.00747219 0.07386322 0.00578438  -0.00346370 -0.00755469 196 LYS   A CG   
1373 C CD   . LYS   A 84  ? 0.10926856 0.01630436 0.07127857 0.01036604  -0.00619455 -0.00568052 196 LYS   A CD   
1374 C CE   . LYS   A 84  ? 0.11227340 0.02602152 0.07040949 0.01143366  -0.00561320 -0.00976905 196 LYS   A CE   
1375 N NZ   . LYS   A 84  ? 0.10613277 0.03100664 0.07409937 0.01551735  -0.00459750 -0.01174000 196 LYS   A NZ   
1376 H H    . LYS   A 84  ? 0.11509382 0.00721230 0.07676670 -0.00780486 -0.00605839 -0.00429850 196 LYS   A H    
1377 H HA   . LYS   A 84  ? 0.10962741 0.00780000 0.07170515 -0.00221123 -0.00658450 -0.00946307 196 LYS   A HA   
1378 H HB2  . LYS   A 84  ? 0.10732087 0.00773971 0.07099944 0.00151621  -0.00627963 -0.00952726 196 LYS   A HB2  
1379 H HB3  . LYS   A 84  ? 0.10770057 0.00785421 0.07145684 0.00148757  -0.00600430 -0.00994403 196 LYS   A HB3  
1380 H HG2  . LYS   A 84  ? 0.10687765 0.00848087 0.07257594 0.00569641  -0.00488786 -0.00787810 196 LYS   A HG2  
1381 H HG3  . LYS   A 84  ? 0.10682553 0.00845731 0.07255916 0.00568039  -0.00491580 -0.00788082 196 LYS   A HG3  
1382 H HD2  . LYS   A 84  ? 0.10926066 0.01641260 0.07183167 0.00985698  -0.00543292 -0.00687217 196 LYS   A HD2  
1383 H HD3  . LYS   A 84  ? 0.10865801 0.01599792 0.07125859 0.00998151  -0.00584750 -0.00660376 196 LYS   A HD3  
1384 H HE2  . LYS   A 84  ? 0.11039016 0.02486464 0.07152257 0.01220753  -0.00540127 -0.00918657 196 LYS   A HE2  
1385 H HE3  . LYS   A 84  ? 0.11052696 0.02487258 0.07173135 0.01189768  -0.00520733 -0.00941164 196 LYS   A HE3  
1386 H HZ1  . LYS   A 84  ? 0.10806913 0.02931002 0.07288969 0.01432811  -0.00490281 -0.01110104 196 LYS   A HZ1  
1387 H HZ2  . LYS   A 84  ? 0.10825105 0.02952715 0.07294319 0.01448059  -0.00481469 -0.01108663 196 LYS   A HZ2  
1388 H HZ3  . LYS   A 84  ? 0.10803340 0.02920901 0.07284680 0.01443774  -0.00481418 -0.01125920 196 LYS   A HZ3  
1389 N N    . PRO   A 85  ? 0.11245295 0.00990411 0.07425354 -0.00169519 -0.00726365 -0.01534292 197 PRO   A N    
1390 C CA   . PRO   A 85  ? 0.11035978 0.00943205 0.08560995 -0.00317422 0.00237456  -0.01549567 197 PRO   A CA   
1391 C C    . PRO   A 85  ? 0.10879286 0.00890327 0.08002661 -0.00273209 0.00329442  -0.01364549 197 PRO   A C    
1392 O O    . PRO   A 85  ? 0.12586971 0.02332985 0.07995547 -0.01430762 0.01357382  -0.02431013 197 PRO   A O    
1393 C CB   . PRO   A 85  ? 0.11918993 0.02154864 0.11173189 0.00476660  -0.00797820 -0.01576243 197 PRO   A CB   
1394 C CG   . PRO   A 85  ? 0.13894026 0.04558213 0.10095658 0.02129835  -0.00997552 -0.01564674 197 PRO   A CG   
1395 C CD   . PRO   A 85  ? 0.12870710 0.01411571 0.07965250 0.00151663  -0.01033131 -0.01555338 197 PRO   A CD   
1396 H HA   . PRO   A 85  ? 0.11169235 0.00940495 0.08426058 -0.00186098 -0.00042427 -0.01538263 197 PRO   A HA   
1397 H HB2  . PRO   A 85  ? 0.11998582 0.02064360 0.10180952 0.00636432  -0.00597382 -0.01696167 197 PRO   A HB2  
1398 H HB3  . PRO   A 85  ? 0.12089203 0.01928825 0.10204036 0.00592572  -0.00636447 -0.01635450 197 PRO   A HB3  
1399 H HG2  . PRO   A 85  ? 0.13191760 0.03057294 0.09999479 0.01275020  -0.01043013 -0.01719045 197 PRO   A HG2  
1400 H HG3  . PRO   A 85  ? 0.13531587 0.03018980 0.09758526 0.01342851  -0.00920348 -0.01574462 197 PRO   A HG3  
1401 H HD2  . PRO   A 85  ? 0.12512253 0.01373505 0.08101483 0.00397986  -0.00993584 -0.01603724 197 PRO   A HD2  
1402 H HD3  . PRO   A 85  ? 0.12456787 0.01331971 0.08055420 0.00377027  -0.00951268 -0.01607831 197 PRO   A HD3  
1403 N N    . PHE   A 86  ? 0.10688435 0.00883300 0.07693066 -0.00236531 0.00327952  -0.01320474 198 PHE   A N    
1404 C CA   . PHE   A 86  ? 0.10394885 0.00906888 0.08128553 -0.00116071 -0.00416830 -0.01421835 198 PHE   A CA   
1405 C C    . PHE   A 86  ? 0.09819489 0.00893518 0.07176278 -0.00239340 -0.00025045 -0.01288556 198 PHE   A C    
1406 O O    . PHE   A 86  ? 0.09666453 0.01052449 0.08156266 -0.00333741 0.00146002  -0.01754634 198 PHE   A O    
1407 C CB   . PHE   A 86  ? 0.11516310 0.00838073 0.09949396 0.00496397  -0.01047022 -0.01343435 198 PHE   A CB   
1408 C CG   . PHE   A 86  ? 0.12458235 0.00635065 0.09063645 -0.00144292 -0.01842953 0.00041597  198 PHE   A CG   
1409 C CD1  . PHE   A 86  ? 0.13668300 0.00868324 0.08389621 -0.01629730 -0.01438359 -0.00307855 198 PHE   A CD1  
1410 C CD2  . PHE   A 86  ? 0.16091414 0.00977215 0.10087311 -0.02305729 -0.02283607 0.00358133  198 PHE   A CD2  
1411 C CE1  . PHE   A 86  ? 0.15883064 0.02300605 0.08724024 -0.01827698 -0.02098924 -0.00126985 198 PHE   A CE1  
1412 C CE2  . PHE   A 86  ? 0.16466279 0.03678483 0.11034792 -0.03683582 -0.01879158 0.01328091  198 PHE   A CE2  
1413 C CZ   . PHE   A 86  ? 0.16574040 0.05130777 0.08613097 -0.03273268 -0.01897253 0.00967518  198 PHE   A CZ   
1414 H H    . PHE   A 86  ? 0.10615609 0.00890778 0.07813536 -0.00223302 0.00217469  -0.01350964 198 PHE   A H    
1415 H HA   . PHE   A 86  ? 0.10502967 0.00891882 0.08120636 -0.00091544 -0.00294913 -0.01385706 198 PHE   A HA   
1416 H HB2  . PHE   A 86  ? 0.11577486 0.00766223 0.09250773 0.00279382  -0.01078378 -0.01062413 198 PHE   A HB2  
1417 H HB3  . PHE   A 86  ? 0.11453637 0.00756921 0.09260606 0.00180766  -0.01079287 -0.01031847 198 PHE   A HB3  
1418 H HD1  . PHE   A 86  ? 0.13700721 0.00791891 0.08590269 -0.01390968 -0.01600693 -0.00116022 198 PHE   A HD1  
1419 H HD2  . PHE   A 86  ? 0.15067300 0.00907536 0.09890638 -0.01988520 -0.02067312 0.00338867  198 PHE   A HD2  
1420 H HE1  . PHE   A 86  ? 0.15347180 0.02278502 0.08593312 -0.02082310 -0.01888519 -0.00003763 198 PHE   A HE1  
1421 H HE2  . PHE   A 86  ? 0.16277941 0.03085868 0.10155972 -0.03236228 -0.01952531 0.01005687  198 PHE   A HE2  
1422 H HZ   . PHE   A 86  ? 0.16265140 0.03941913 0.08944852 -0.02945985 -0.01857200 0.00737341  198 PHE   A HZ   
1423 N N    . LYS   A 87  ? 0.09972006 0.01103044 0.07345583 -0.00608230 0.00132972  -0.01707668 199 LYS   A N    
1424 C CA   . LYS   A 87  ? 0.10100295 0.00986599 0.07792977 -0.00662272 0.00032530  -0.01484864 199 LYS   A CA   
1425 C C    . LYS   A 87  ? 0.09559633 0.01060924 0.07551388 -0.00257676 -0.00205573 -0.01698527 199 LYS   A C    
1426 O O    . LYS   A 87  ? 0.10710769 0.05673629 0.07280793 -0.01170728 0.00071648  -0.02779657 199 LYS   A O    
1427 C CB   . LYS   A 87  ? 0.11694147 0.01095033 0.08865801 -0.01091580 -0.00628832 -0.00895502 199 LYS   A CB   
1428 C CG   . LYS   A 87  ? 0.13671556 0.00753600 0.10609971 -0.00834562 -0.01002650 -0.00713211 199 LYS   A CG   
1429 C CD   . LYS   A 87  ? 0.16098566 0.01892916 0.12151538 0.00053651  -0.01681442 -0.00291202 199 LYS   A CD   
1430 C CE   . LYS   A 87  ? 0.18311533 0.04450139 0.13702261 0.00419114  -0.01544529 0.01317953  199 LYS   A CE   
1431 N NZ   . LYS   A 87  ? 0.23082294 0.12771957 0.16032574 0.02758760  -0.00515092 0.04486680  199 LYS   A NZ   
1432 H H    . LYS   A 87  ? 0.09944053 0.01018081 0.07402875 -0.00516907 0.00081536  -0.01557127 199 LYS   A H    
1433 H HA   . LYS   A 87  ? 0.10138375 0.00997043 0.07766931 -0.00637354 -0.00053613 -0.01509726 199 LYS   A HA   
1434 H HB2  . LYS   A 87  ? 0.11596209 0.00860344 0.08855506 -0.00929684 -0.00532509 -0.01057145 199 LYS   A HB2  
1435 H HB3  . LYS   A 87  ? 0.11645096 0.00859475 0.08899014 -0.00930749 -0.00563984 -0.01054744 199 LYS   A HB3  
1436 H HG2  . LYS   A 87  ? 0.13512719 0.01058759 0.10353220 -0.00708998 -0.01026363 -0.00691672 199 LYS   A HG2  
1437 H HG3  . LYS   A 87  ? 0.13516071 0.01039901 0.10394678 -0.00731894 -0.01066103 -0.00681018 199 LYS   A HG3  
1438 H HD2  . LYS   A 87  ? 0.15729256 0.01837935 0.11902177 -0.00080979 -0.01454982 -0.00145840 199 LYS   A HD2  
1439 H HD3  . LYS   A 87  ? 0.15805019 0.01961664 0.11937529 -0.00071727 -0.01436571 -0.00082363 199 LYS   A HD3  
1440 H HE2  . LYS   A 87  ? 0.17820986 0.04442731 0.13306749 0.00651933  -0.01403641 0.01450942  199 LYS   A HE2  
1441 H HE3  . LYS   A 87  ? 0.17973858 0.04376425 0.13377225 0.00707574  -0.01401240 0.01415435  199 LYS   A HE3  
1442 H HZ1  . LYS   A 87  ? 0.21764317 0.09128838 0.15109651 0.02220530  -0.00619553 0.03568433  199 LYS   A HZ1  
1443 H HZ2  . LYS   A 87  ? 0.20938861 0.10573991 0.15360923 0.01611912  -0.01038382 0.04210235  199 LYS   A HZ2  
1444 H HZ3  . LYS   A 87  ? 0.21151370 0.09130222 0.15333176 0.01891499  -0.01117635 0.03464394  199 LYS   A HZ3  
1445 N N    . ILE   A 88  ? 0.08827063 0.00985583 0.07073566 -0.00222433 -0.00079254 -0.01491139 200 ILE   A N    
1446 C CA   . ILE   A 88  ? 0.08794777 0.01303807 0.07167033 -0.00251604 0.00042043  -0.02082253 200 ILE   A CA   
1447 C C    . ILE   A 88  ? 0.08778615 0.01793495 0.07349486 -0.00803949 -0.00051565 -0.02689185 200 ILE   A C    
1448 O O    . ILE   A 88  ? 0.09454121 0.01842602 0.09992363 -0.01111097 0.00841356  -0.03090010 200 ILE   A O    
1449 C CB   . ILE   A 88  ? 0.09762623 0.02203707 0.07124598 -0.00038277 -0.00053613 -0.01963701 200 ILE   A CB   
1450 C CG1  . ILE   A 88  ? 0.10560609 0.01954751 0.07959847 -0.00606039 0.00320750  -0.00973522 200 ILE   A CG1  
1451 C CG2  . ILE   A 88  ? 0.10890744 0.03817241 0.08249936 0.00123004  -0.01291974 -0.01523381 200 ILE   A CG2  
1452 C CD1  . ILE   A 88  ? 0.11255506 0.03722128 0.09169791 -0.00393710 0.00333638  0.00127883  200 ILE   A CD1  
1453 H H    . ILE   A 88  ? 0.08944889 0.01061149 0.07185616 -0.00251211 -0.00046712 -0.01658054 200 ILE   A H    
1454 H HA   . ILE   A 88  ? 0.08914792 0.01330339 0.07146251 -0.00316888 0.00016400  -0.02112754 200 ILE   A HA   
1455 H HB   . ILE   A 88  ? 0.09743711 0.02169184 0.07371502 -0.00145671 -0.00086447 -0.01765067 200 ILE   A HB   
1456 H HG12 . ILE   A 88  ? 0.10473485 0.02308716 0.07926405 -0.00422966 0.00210994  -0.01006661 200 ILE   A HG12 
1457 H HG13 . ILE   A 88  ? 0.10485142 0.02276833 0.07925645 -0.00427037 0.00213777  -0.00999246 200 ILE   A HG13 
1458 H HG21 . ILE   A 88  ? 0.10552997 0.03381329 0.07948751 0.00033545  -0.00895409 -0.01645298 200 ILE   A HG21 
1459 H HG22 . ILE   A 88  ? 0.10685164 0.03373222 0.08016069 0.00027827  -0.01038928 -0.01628937 200 ILE   A HG22 
1460 H HG23 . ILE   A 88  ? 0.10543418 0.03732957 0.07921035 -0.00026463 -0.00925094 -0.01569211 200 ILE   A HG23 
1461 H HD11 . ILE   A 88  ? 0.11138354 0.03223896 0.08780836 -0.00481143 0.00286583  -0.00185515 200 ILE   A HD11 
1462 H HD12 . ILE   A 88  ? 0.11060895 0.03678392 0.08772220 -0.00507291 0.00324760  -0.00101224 200 ILE   A HD12 
1463 H HD13 . ILE   A 88  ? 0.11158792 0.03238824 0.08803815 -0.00419800 0.00398268  -0.00177614 200 ILE   A HD13 
1464 N N    . GLN   A 89  ? 0.08914720 0.01506975 0.07884297 -0.00057423 0.00516506  -0.02514422 201 GLN   A N    
1465 C CA   . GLN   A 89  ? 0.09836586 0.01768368 0.08417600 0.00310263  -0.00056316 -0.02960658 201 GLN   A CA   
1466 C C    . GLN   A 89  ? 0.09184127 0.01246534 0.08053339 -0.00434610 0.00450385  -0.02113971 201 GLN   A C    
1467 O O    . GLN   A 89  ? 0.09041898 0.06236989 0.09942842 0.00137789  0.00173529  -0.05498593 201 GLN   A O    
1468 C CB   . GLN   A 89  ? 0.12779759 0.01598074 0.10445481 0.00388471  -0.01775318 -0.03073058 201 GLN   A CB   
1469 C CG   . GLN   A 89  ? 0.15501887 0.04814618 0.13528526 0.01116385  -0.03166321 -0.02386433 201 GLN   A CG   
1470 C CD   . GLN   A 89  ? 0.22030304 0.04217732 0.18120471 -0.00027191 -0.05434113 -0.01524831 201 GLN   A CD   
1471 O OE1  . GLN   A 89  ? 0.28274775 0.09930279 0.14498812 -0.00051541 -0.04536621 0.01313028  201 GLN   A OE1  
1472 N NE2  . GLN   A 89  ? 0.25032136 0.08558452 0.22746481 0.02802298  -0.08802397 -0.00951596 201 GLN   A NE2  
1473 H H    . GLN   A 89  ? 0.08951974 0.01627485 0.07780799 -0.00115574 0.00338393  -0.02665739 201 GLN   A H    
1474 H HA   . GLN   A 89  ? 0.09840032 0.01580094 0.08510763 0.00098737  -0.00017123 -0.02729711 201 GLN   A HA   
1475 H HB2  . GLN   A 89  ? 0.12368274 0.01588188 0.10280072 0.00428993  -0.01641040 -0.03034077 201 GLN   A HB2  
1476 H HB3  . GLN   A 89  ? 0.12238400 0.01594824 0.10192460 0.00419317  -0.01534275 -0.03031170 201 GLN   A HB3  
1477 H HG2  . GLN   A 89  ? 0.15527573 0.03703533 0.13152868 0.00712701  -0.03155268 -0.02422212 201 GLN   A HG2  
1478 H HG3  . GLN   A 89  ? 0.15401496 0.04661719 0.12999207 0.00898154  -0.03047674 -0.02326472 201 GLN   A HG3  
1479 H HE21 . GLN   A 89  ? 0.23916140 0.06807551 0.21475148 0.01653084  -0.07932116 -0.01092277 201 GLN   A HE21 
1480 H HE22 . GLN   A 89  ? 0.23897138 0.06944507 0.21455771 0.01701359  -0.07558077 -0.01348679 201 GLN   A HE22 
1481 N N    . VAL   A 90  ? 0.08227383 0.00954996 0.07330164 -0.00787031 0.00553131  -0.01321732 202 VAL   A N    
1482 C CA   . VAL   A 90  ? 0.08688779 0.00851218 0.07554997 -0.00371870 0.00355381  -0.01193978 202 VAL   A CA   
1483 C C    . VAL   A 90  ? 0.08490601 0.00860409 0.07597438 -0.00304030 0.00461600  -0.01240212 202 VAL   A C    
1484 O O    . VAL   A 90  ? 0.09249046 0.00889906 0.09917921 -0.00658794 0.01443372  -0.01476124 202 VAL   A O    
1485 C CB   . VAL   A 90  ? 0.09322292 0.00874846 0.07541088 -0.00795054 0.00698194  -0.01139448 202 VAL   A CB   
1486 C CG1  . VAL   A 90  ? 0.10302038 0.02838200 0.07542311 -0.00712517 -0.00208603 -0.00578943 202 VAL   A CG1  
1487 C CG2  . VAL   A 90  ? 0.10069072 0.00753496 0.07758500 -0.00792270 0.00458622  -0.00656189 202 VAL   A CG2  
1488 H H    . VAL   A 90  ? 0.08435025 0.00981695 0.07534719 -0.00596933 0.00506894  -0.01480841 202 VAL   A H    
1489 H HA   . VAL   A 90  ? 0.08680306 0.00882424 0.07563271 -0.00507123 0.00467829  -0.01253954 202 VAL   A HA   
1490 H HB   . VAL   A 90  ? 0.09364736 0.00836925 0.07562932 -0.00675567 0.00485096  -0.01038256 202 VAL   A HB   
1491 H HG11 . VAL   A 90  ? 0.10117572 0.02236659 0.07584412 -0.00801780 -0.00002180 -0.00737803 202 VAL   A HG11 
1492 H HG12 . VAL   A 90  ? 0.09987143 0.02748231 0.07553001 -0.00815731 0.00061620  -0.00703845 202 VAL   A HG12 
1493 H HG13 . VAL   A 90  ? 0.09992170 0.02223274 0.07537393 -0.00770472 0.00065510  -0.00750060 202 VAL   A HG13 
1494 H HG21 . VAL   A 90  ? 0.09858308 0.00782392 0.07681639 -0.00797548 0.00528847  -0.00795860 202 VAL   A HG21 
1495 H HG22 . VAL   A 90  ? 0.09888424 0.00779341 0.07704701 -0.00783825 0.00551438  -0.00795678 202 VAL   A HG22 
1496 H HG23 . VAL   A 90  ? 0.09920108 0.00784518 0.07713735 -0.00825193 0.00492526  -0.00785236 202 VAL   A HG23 
1497 N N    . LEU   A 91  ? 0.08897389 0.00764938 0.08076299 0.00291249  0.00368246  -0.00936598 203 LEU   A N    
1498 C CA   . LEU   A 91  ? 0.10001700 0.00748119 0.08395008 -0.00077087 0.00100037  -0.00942343 203 LEU   A CA   
1499 C C    . LEU   A 91  ? 0.09316260 0.00799931 0.08642744 -0.00176669 -0.00173759 -0.01139090 203 LEU   A C    
1500 O O    . LEU   A 91  ? 0.09504099 0.01594542 0.10542464 -0.00261538 -0.00393142 -0.03059650 203 LEU   A O    
1501 C CB   . LEU   A 91  ? 0.11945167 0.01767234 0.09386493 0.00410321  0.00304716  -0.00356536 203 LEU   A CB   
1502 C CG   . LEU   A 91  ? 0.17056619 0.02689101 0.11187179 0.00046784  0.00571516  0.01217514  203 LEU   A CG   
1503 C CD1  . LEU   A 91  ? 0.18275283 0.04677346 0.11355429 0.01116960  0.00004138  0.01201605  203 LEU   A CD1  
1504 C CD2  . LEU   A 91  ? 0.21402067 0.06707545 0.13710141 -0.00242738 0.02414763  0.02350135  203 LEU   A CD2  
1505 H H    . LEU   A 91  ? 0.08865824 0.00786217 0.07977433 0.00155860  0.00415648  -0.01040236 203 LEU   A H    
1506 H HA   . LEU   A 91  ? 0.09910070 0.00742550 0.08499617 0.00034562  0.00122613  -0.00926110 203 LEU   A HA   
1507 H HB2  . LEU   A 91  ? 0.11922725 0.00930823 0.09305416 0.00241879  0.00356549  -0.00285994 203 LEU   A HB2  
1508 H HB3  . LEU   A 91  ? 0.11888549 0.00921938 0.09260236 0.00197740  0.00302259  -0.00319774 203 LEU   A HB3  
1509 H HG   . LEU   A 91  ? 0.16086312 0.03091644 0.10941924 0.00339828  0.00752727  0.01015170  203 LEU   A HG   
1510 H HD11 . LEU   A 91  ? 0.17538348 0.03971065 0.11341320 0.00782360  0.00173275  0.01104442  203 LEU   A HD11 
1511 H HD12 . LEU   A 91  ? 0.17832868 0.04577465 0.11373390 0.00840481  0.00200134  0.01048463  203 LEU   A HD12 
1512 H HD13 . LEU   A 91  ? 0.17896596 0.04125201 0.11367367 0.00840424  0.00259621  0.01194168  203 LEU   A HD13 
1513 H HD21 . LEU   A 91  ? 0.20208724 0.05415614 0.12723951 -0.00321272 0.01740388  0.01985455  203 LEU   A HD21 
1514 H HD22 . LEU   A 91  ? 0.20045279 0.05454121 0.12989616 0.00068600  0.02102595  0.02149752  203 LEU   A HD22 
1515 H HD23 . LEU   A 91  ? 0.19792739 0.06314045 0.12724139 -0.00121043 0.01798950  0.01773471  203 LEU   A HD23 
1516 N N    . VAL   A 92  ? 0.09278117 0.00870629 0.08123181 0.00239000  -0.00047558 -0.01315973 204 VAL   A N    
1517 C CA   . VAL   A 92  ? 0.10166830 0.00830846 0.08514471 0.00124738  -0.00243821 -0.01245419 204 VAL   A CA   
1518 C C    . VAL   A 92  ? 0.10780881 0.00687209 0.07799903 0.00228548  -0.00640020 -0.00604142 204 VAL   A C    
1519 O O    . VAL   A 92  ? 0.11646300 0.01449870 0.11377376 0.00620555  -0.01160197 0.00541301  204 VAL   A O    
1520 C CB   . VAL   A 92  ? 0.11292103 0.01882997 0.08378222 0.00759322  -0.00093891 -0.01503080 204 VAL   A CB   
1521 C CG1  . VAL   A 92  ? 0.11661776 0.03012043 0.08473394 0.00725255  -0.00093131 -0.01940997 204 VAL   A CG1  
1522 C CG2  . VAL   A 92  ? 0.11259349 0.04357285 0.08341286 0.00240141  0.00851450  -0.01235417 204 VAL   A CG2  
1523 H H    . VAL   A 92  ? 0.09401256 0.00839147 0.08334828 0.00142508  -0.00113887 -0.01253854 204 VAL   A H    
1524 H HA   . VAL   A 92  ? 0.10264505 0.00825267 0.08293083 0.00236609  -0.00250165 -0.01199884 204 VAL   A HA   
1525 H HB   . VAL   A 92  ? 0.11018878 0.01995787 0.08402808 0.00613444  -0.00001171 -0.01442740 204 VAL   A HB   
1526 H HG11 . VAL   A 92  ? 0.11633840 0.02769136 0.08460063 0.00674460  -0.00074013 -0.01846480 204 VAL   A HG11 
1527 H HG12 . VAL   A 92  ? 0.11605715 0.02799928 0.08466695 0.00794805  -0.00124512 -0.01863271 204 VAL   A HG12 
1528 H HG13 . VAL   A 92  ? 0.11576280 0.02706774 0.08455682 0.00734550  -0.00098437 -0.01822797 204 VAL   A HG13 
1529 H HG21 . VAL   A 92  ? 0.11309391 0.03542413 0.08329123 0.00361280  0.00602364  -0.01341892 204 VAL   A HG21 
1530 H HG22 . VAL   A 92  ? 0.11330631 0.03518883 0.08424690 0.00382425  0.00633427  -0.01312742 204 VAL   A HG22 
1531 H HG23 . VAL   A 92  ? 0.11423728 0.03773541 0.08387876 0.00208850  0.00634813  -0.01401838 204 VAL   A HG23 
1532 N N    . GLU   A 93  ? 0.10396161 0.00669493 0.08281657 -0.00310933 -0.00808813 0.00472546  205 GLU   A N    
1533 C CA   . GLU   A 93  ? 0.11791483 0.00704590 0.08426700 -0.00428452 -0.00558232 0.00674241  205 GLU   A CA   
1534 C C    . GLU   A 93  ? 0.10585474 0.00824368 0.08002265 -0.00878906 -0.00482103 0.00955623  205 GLU   A C    
1535 O O    . GLU   A 93  ? 0.11733086 0.00771360 0.07303541 -0.01231485 -0.00474093 0.00151505  205 GLU   A O    
1536 C CB   . GLU   A 93  ? 0.12599634 0.02062568 0.08825566 -0.00751531 -0.00221998 0.00507463  205 GLU   A CB   
1537 C CG   . GLU   A 93  ? 0.15749195 0.05171985 0.09538533 -0.01300268 0.00047022  -0.00589818 205 GLU   A CG   
1538 C CD   . GLU   A 93  ? 0.19614065 0.09342861 0.12046647 -0.00250522 0.00235288  0.00914838  205 GLU   A CD   
1539 O OE1  . GLU   A 93  ? 0.28459266 0.17349918 0.11820462 0.00997007  -0.01566250 0.02555465  205 GLU   A OE1  
1540 O OE2  . GLU   A 93  ? 0.26019374 0.09897031 0.17081340 0.01644069  -0.00619085 0.02197646  205 GLU   A OE2  
1541 H H    . GLU   A 93  ? 0.10725670 0.00646005 0.08160677 -0.00142950 -0.00738409 0.00293508  205 GLU   A H    
1542 H HA   . GLU   A 93  ? 0.11325279 0.00717075 0.08373962 -0.00471530 -0.00580386 0.00722613  205 GLU   A HA   
1543 H HB2  . GLU   A 93  ? 0.12840328 0.01822777 0.08814698 -0.00780316 -0.00278569 0.00386427  205 GLU   A HB2  
1544 H HB3  . GLU   A 93  ? 0.12868507 0.01832330 0.08836410 -0.00792147 -0.00267000 0.00407445  205 GLU   A HB3  
1545 H HG2  . GLU   A 93  ? 0.15275244 0.04693935 0.09620211 -0.00865381 -0.00058116 -0.00042583 205 GLU   A HG2  
1546 H HG3  . GLU   A 93  ? 0.15264931 0.04712484 0.09645909 -0.00970294 -0.00046996 0.00014279  205 GLU   A HG3  
1547 N N    . PRO   A 94  ? 0.12433818 0.00961581 0.08737979 -0.01189251 -0.00523674 0.01350751  206 PRO   A N    
1548 C CA   . PRO   A 94  ? 0.12493850 0.00920184 0.09724189 -0.01791636 -0.00185342 0.00412683  206 PRO   A CA   
1549 C C    . PRO   A 94  ? 0.12489559 0.00795749 0.08582705 -0.01360542 0.00014628  -0.00226598 206 PRO   A C    
1550 O O    . PRO   A 94  ? 0.12497289 0.00791825 0.08892483 -0.00751994 0.00280497  -0.00974449 206 PRO   A O    
1551 C CB   . PRO   A 94  ? 0.13537903 0.01067752 0.11999565 -0.02116041 -0.00202859 0.01030476  206 PRO   A CB   
1552 C CG   . PRO   A 94  ? 0.13993266 0.01396616 0.11864530 -0.01837425 0.00634181  0.02304411  206 PRO   A CG   
1553 C CD   . PRO   A 94  ? 0.13569583 0.01442815 0.10381144 -0.01472294 0.00114474  0.02488453  206 PRO   A CD   
1554 H HA   . PRO   A 94  ? 0.12620863 0.00889570 0.09624530 -0.01644938 -0.00207397 0.00552822  206 PRO   A HA   
1555 H HB2  . PRO   A 94  ? 0.13440236 0.01064742 0.11336681 -0.02004263 -0.00068001 0.01133600  206 PRO   A HB2  
1556 H HB3  . PRO   A 94  ? 0.13347115 0.01068752 0.11367315 -0.01988129 -0.00030913 0.01161312  206 PRO   A HB3  
1557 H HG2  . PRO   A 94  ? 0.13767146 0.01308467 0.11510202 -0.01842645 0.00346124  0.02079468  206 PRO   A HG2  
1558 H HG3  . PRO   A 94  ? 0.13811415 0.01300436 0.11546633 -0.01846887 0.00310680  0.02066759  206 PRO   A HG3  
1559 H HD2  . PRO   A 94  ? 0.13377747 0.01294769 0.10210218 -0.01489825 0.00006260  0.02159668  206 PRO   A HD2  
1560 H HD3  . PRO   A 94  ? 0.13382448 0.01282271 0.10173436 -0.01464414 0.00081716  0.02132272  206 PRO   A HD3  
1561 N N    . ASP   A 95  ? 0.11545799 0.00875169 0.07254314 -0.01452923 -0.00245636 -0.00533522 207 ASP   A N    
1562 C CA   . ASP   A 95  ? 0.10941768 0.00918175 0.08011335 -0.01630950 0.00184661  -0.00474423 207 ASP   A CA   
1563 C C    . ASP   A 95  ? 0.09845521 0.00750166 0.06419105 -0.01023273 0.00141607  -0.00152701 207 ASP   A C    
1564 O O    . ASP   A 95  ? 0.09587730 0.00788476 0.07577464 -0.01107568 -0.00596871 -0.00280875 207 ASP   A O    
1565 C CB   . ASP   A 95  ? 0.11912328 0.01153903 0.09130128 -0.02372176 0.00897778  0.00239114  207 ASP   A CB   
1566 C CG   . ASP   A 95  ? 0.14897168 0.03016728 0.09819825 -0.04046608 0.00616302  -0.00291669 207 ASP   A CG   
1567 O OD1  . ASP   A 95  ? 0.14824225 0.03463816 0.10386728 -0.05186107 0.01165718  -0.01734760 207 ASP   A OD1  
1568 O OD2  . ASP   A 95  ? 0.16913606 0.08373699 0.12596573 -0.06273887 0.02234479  -0.01004755 207 ASP   A OD2  
1569 H H    . ASP   A 95  ? 0.11592915 0.00860724 0.07428959 -0.01466246 -0.00135375 -0.00443042 207 ASP   A H    
1570 H HA   . ASP   A 95  ? 0.10991374 0.00888329 0.07768538 -0.01591201 0.00218442  -0.00308886 207 ASP   A HA   
1571 H HB2  . ASP   A 95  ? 0.12136182 0.01181277 0.09004234 -0.02509482 0.00665743  -0.00077679 207 ASP   A HB2  
1572 H HB3  . ASP   A 95  ? 0.12077188 0.01156597 0.08902011 -0.02445701 0.00637828  -0.00062484 207 ASP   A HB3  
1573 N N    . HIS   A 96  ? 0.10679518 0.00718346 0.07021376 -0.00609327 -0.00258198 -0.00538540 208 HIS   A N    
1574 C CA   . HIS   A 96  ? 0.10696884 0.00743843 0.08185977 -0.00596396 -0.00044077 -0.00751208 208 HIS   A CA   
1575 C C    . HIS   A 96  ? 0.10657474 0.00690560 0.07815436 -0.00711255 -0.00589143 -0.00179203 208 HIS   A C    
1576 O O    . HIS   A 96  ? 0.10774222 0.00730241 0.08676051 -0.00802239 -0.01333592 0.00619006  208 HIS   A O    
1577 C CB   . HIS   A 96  ? 0.12603076 0.01579987 0.10275422 -0.01451834 0.01267372  -0.01924951 208 HIS   A CB   
1578 C CG   . HIS   A 96  ? 0.15792772 0.03321755 0.11185300 -0.01704331 0.01343687  -0.00626695 208 HIS   A CG   
1579 N ND1  . HIS   A 96  ? 0.20546137 0.08520978 0.13328360 -0.03236040 0.04689290  0.02906809  208 HIS   A ND1  
1580 C CD2  . HIS   A 96  ? 0.18060827 0.08475438 0.11156495 -0.01754529 0.00781382  0.02323980  208 HIS   A CD2  
1581 C CE1  . HIS   A 96  ? 0.22069521 0.06895755 0.13693181 -0.03409379 0.03687692  0.03310513  208 HIS   A CE1  
1582 N NE2  . HIS   A 96  ? 0.21336165 0.10745602 0.13088618 -0.01415769 0.01675572  0.04099394  208 HIS   A NE2  
1583 H H    . HIS   A 96  ? 0.10449050 0.00715673 0.07094081 -0.00682480 -0.00140668 -0.00465412 208 HIS   A H    
1584 H HA   . HIS   A 96  ? 0.10880509 0.00757594 0.08086894 -0.00740030 -0.00011449 -0.00726083 208 HIS   A HA   
1585 H HB2  . HIS   A 96  ? 0.12440103 0.01298197 0.09661973 -0.01148914 0.00897323  -0.01349255 208 HIS   A HB2  
1586 H HB3  . HIS   A 96  ? 0.12547183 0.00956084 0.09696218 -0.01267080 0.00943379  -0.01400482 208 HIS   A HB3  
1587 H HD1  . HIS   A 96  ? 0.14257155 0.14257155 0.14257155 0.00000000  0.00000000  0.00000000  208 HIS   A HD1  
1588 H HD2  . HIS   A 96  ? 0.17971782 0.07079805 0.11450559 -0.01531518 0.01124047  0.01804072  208 HIS   A HD2  
1589 H HE1  . HIS   A 96  ? 0.21273918 0.07823963 0.13231122 -0.03061463 0.03596958  0.03521837  208 HIS   A HE1  
1590 H HE2  . HIS   A 96  ? 0.15380555 0.15380555 0.15380555 0.00000000  0.00000000  0.00000000  208 HIS   A HE2  
1591 N N    . PHE   A 97  ? 0.09890551 0.00687019 0.08204654 -0.00680887 -0.00764109 -0.00109990 209 PHE   A N    
1592 C CA   . PHE   A 97  ? 0.09758253 0.00720516 0.08668742 -0.00546217 -0.00494829 -0.00631405 209 PHE   A CA   
1593 C C    . PHE   A 97  ? 0.10446380 0.00752097 0.09209444 -0.00166291 -0.00230416 -0.00993276 209 PHE   A C    
1594 O O    . PHE   A 97  ? 0.10786976 0.02550413 0.08774868 0.01333909  -0.00546747 -0.01738263 209 PHE   A O    
1595 C CB   . PHE   A 97  ? 0.10297073 0.00758289 0.09553050 -0.00683078 -0.00210300 -0.00812306 209 PHE   A CB   
1596 C CG   . PHE   A 97  ? 0.11433605 0.00871900 0.08975195 -0.01473961 -0.00520281 -0.00487338 209 PHE   A CG   
1597 C CD1  . PHE   A 97  ? 0.12816057 0.02673408 0.08883416 -0.00950516 -0.00301531 -0.01482152 209 PHE   A CD1  
1598 C CD2  . PHE   A 97  ? 0.14554463 0.01024222 0.10473444 -0.02246794 -0.01363293 0.00744548  209 PHE   A CD2  
1599 C CE1  . PHE   A 97  ? 0.15218899 0.04532323 0.10476404 -0.00185989 0.01277054  -0.01883545 209 PHE   A CE1  
1600 C CE2  . PHE   A 97  ? 0.16067432 0.00971079 0.10645225 -0.02127366 -0.00781108 0.00774535  209 PHE   A CE2  
1601 C CZ   . PHE   A 97  ? 0.16921206 0.02057795 0.08606880 -0.02279831 0.01062323  -0.01519572 209 PHE   A CZ   
1602 H H    . PHE   A 97  ? 0.09990134 0.00680160 0.08150362 -0.00606978 -0.00716226 -0.00190515 209 PHE   A H    
1603 H HA   . PHE   A 97  ? 0.10000082 0.00713001 0.08801016 -0.00533899 -0.00455661 -0.00607789 209 PHE   A HA   
1604 H HB2  . PHE   A 97  ? 0.10378241 0.00749024 0.09217331 -0.00750581 -0.00357447 -0.00677243 209 PHE   A HB2  
1605 H HB3  . PHE   A 97  ? 0.10446756 0.00754435 0.09227589 -0.00780975 -0.00317993 -0.00686495 209 PHE   A HB3  
1606 H HD1  . PHE   A 97  ? 0.12693901 0.01983220 0.09043899 -0.01014761 -0.00152278 -0.01290961 209 PHE   A HD1  
1607 H HD2  . PHE   A 97  ? 0.14104810 0.00962504 0.10020013 -0.02091011 -0.01002489 0.00364467  209 PHE   A HD2  
1608 H HE1  . PHE   A 97  ? 0.14803042 0.03249515 0.09530892 -0.00883128 0.00773452  -0.01647590 209 PHE   A HE1  
1609 H HE2  . PHE   A 97  ? 0.15745547 0.00951943 0.10089015 -0.02186553 -0.00458117 0.00214191  209 PHE   A HE2  
1610 H HZ   . PHE   A 97  ? 0.16222377 0.02160961 0.08873140 -0.01735342 0.00829154  -0.01190833 209 PHE   A HZ   
1611 N N    . LYS   A 98  ? 0.10503711 0.00975987 0.09444594 0.00029511  -0.00464052 -0.01736793 210 LYS   A N    
1612 C CA   . LYS   A 98  ? 0.10279703 0.01002670 0.09313661 -0.00300500 0.00525107  -0.01781317 210 LYS   A CA   
1613 C C    . LYS   A 98  ? 0.09407753 0.01123339 0.09003271 0.00086492  0.00528583  -0.02014506 210 LYS   A C    
1614 O O    . LYS   A 98  ? 0.09431382 0.02827033 0.15806144 -0.00546471 0.00809542  -0.05760797 210 LYS   A O    
1615 C CB   . LYS   A 98  ? 0.13186932 0.04193575 0.11793558 -0.01268873 0.00755688  -0.00249624 210 LYS   A CB   
1616 C CG   . LYS   A 98  ? 0.18020660 0.09448642 0.14095792 -0.00746005 0.00867260  -0.01143050 210 LYS   A CG   
1617 C CD   . LYS   A 98  ? 0.25638637 0.18768914 0.19089969 -0.02453877 0.03212551  0.01689191  210 LYS   A CD   
1618 C CE   . LYS   A 98  ? 0.31937444 0.27898180 0.28634337 -0.02412563 0.02052536  0.01638514  210 LYS   A CE   
1619 N NZ   . LYS   A 98  ? 0.41355476 0.33220467 0.37135944 -0.03822783 0.04326895  0.06543491  210 LYS   A NZ   
1620 H H    . LYS   A 98  ? 0.10360193 0.00907203 0.09349176 -0.00051093 -0.00181903 -0.01543195 210 LYS   A H    
1621 H HA   . LYS   A 98  ? 0.10383481 0.00957479 0.09453803 -0.00256791 0.00350290  -0.01681390 210 LYS   A HA   
1622 H HB2  . LYS   A 98  ? 0.12885313 0.03733505 0.11193512 -0.00768301 0.00779449  -0.00810901 210 LYS   A HB2  
1623 H HB3  . LYS   A 98  ? 0.12930141 0.03544165 0.11101647 -0.00997634 0.00713049  -0.00902964 210 LYS   A HB3  
1624 H HG2  . LYS   A 98  ? 0.17092131 0.08257826 0.13725032 -0.00979390 0.01300901  -0.00365834 210 LYS   A HG2  
1625 H HG3  . LYS   A 98  ? 0.17103700 0.08388197 0.13662271 -0.01329534 0.01193830  -0.00428471 210 LYS   A HG3  
1626 H HD2  . LYS   A 98  ? 0.23649801 0.16718730 0.18255259 -0.02650186 0.02017635  0.01138744  210 LYS   A HD2  
1627 H HD3  . LYS   A 98  ? 0.23359349 0.16123417 0.19031979 -0.01953651 0.02322731  0.00993096  210 LYS   A HD3  
1628 H HE2  . LYS   A 98  ? 0.31008077 0.25265041 0.26691806 -0.02973658 0.02511746  0.02853250  210 LYS   A HE2  
1629 H HE3  . LYS   A 98  ? 0.29823458 0.23836234 0.26869622 -0.02693800 0.03112969  0.02142738  210 LYS   A HE3  
1630 H HZ1  . LYS   A 98  ? 0.38134536 0.31323650 0.35395566 -0.03477760 0.03747256  0.04634618  210 LYS   A HZ1  
1631 H HZ2  . LYS   A 98  ? 0.38555834 0.31885487 0.34743527 -0.03966710 0.03023833  0.05491928  210 LYS   A HZ2  
1632 H HZ3  . LYS   A 98  ? 0.39564529 0.31287944 0.34256497 -0.03237290 0.03822448  0.04943642  210 LYS   A HZ3  
1633 N N    . VAL   A 99  ? 0.08974230 0.00791197 0.07007787 0.00133076  0.00194963  -0.00993148 211 VAL   A N    
1634 C CA   . VAL   A 99  ? 0.09242418 0.00759555 0.06434065 0.00227208  0.00198453  -0.00829794 211 VAL   A CA   
1635 C C    . VAL   A 99  ? 0.09501046 0.00700778 0.06300842 0.00225341  0.00198076  -0.00586519 211 VAL   A C    
1636 O O    . VAL   A 99  ? 0.09749541 0.01139287 0.07065820 -0.00704763 0.00099407  -0.00889049 211 VAL   A O    
1637 C CB   . VAL   A 99  ? 0.09613363 0.01115676 0.06903086 0.00793563  -0.00284900 -0.00073269 211 VAL   A CB   
1638 C CG1  . VAL   A 99  ? 0.10570342 0.01248440 0.07572827 0.00311422  -0.00220775 0.00846865  211 VAL   A CG1  
1639 C CG2  . VAL   A 99  ? 0.10073294 0.03239304 0.07149313 0.00947955  -0.00402598 0.00376703  211 VAL   A CG2  
1640 H H    . VAL   A 99  ? 0.09089567 0.00844134 0.07296059 0.00149997  0.00275050  -0.01172162 211 VAL   A H    
1641 H HA   . VAL   A 99  ? 0.09269217 0.00739069 0.06637926 0.00298866  0.00125860  -0.00752658 211 VAL   A HA   
1642 H HB   . VAL   A 99  ? 0.09672852 0.01183365 0.06917854 0.00646428  -0.00173514 -0.00030403 211 VAL   A HB   
1643 H HG11 . VAL   A 99  ? 0.10389096 0.01212989 0.07384950 0.00405273  -0.00273580 0.00592534  211 VAL   A HG11 
1644 H HG12 . VAL   A 99  ? 0.10276128 0.01195420 0.07507704 0.00447895  -0.00256652 0.00616200  211 VAL   A HG12 
1645 H HG13 . VAL   A 99  ? 0.10278373 0.01140571 0.07351156 0.00461191  -0.00258569 0.00622036  211 VAL   A HG13 
1646 H HG21 . VAL   A 99  ? 0.09970224 0.02749950 0.07155324 0.00873719  -0.00338361 0.00096213  211 VAL   A HG21 
1647 H HG22 . VAL   A 99  ? 0.10056721 0.02622934 0.07093517 0.00982219  -0.00329431 0.00219912  211 VAL   A HG22 
1648 H HG23 . VAL   A 99  ? 0.10037619 0.02585660 0.07096677 0.00866643  -0.00379686 0.00217478  211 VAL   A HG23 
1649 N N    . ALA   A 100 ? 0.09691403 0.00781951 0.06157895 -0.00385650 0.00236233  -0.00864422 212 ALA   A N    
1650 C CA   . ALA   A 100 ? 0.10295400 0.00939059 0.06530917 -0.00676327 -0.00041132 -0.01231726 212 ALA   A CA   
1651 C C    . ALA   A 100 ? 0.09834398 0.00963291 0.06019222 -0.00386949 0.00104298  -0.01304201 212 ALA   A C    
1652 O O    . ALA   A 100 ? 0.11017561 0.02953805 0.07789399 -0.02096487 0.00970884  -0.03014972 212 ALA   A O    
1653 C CB   . ALA   A 100 ? 0.11469495 0.01646658 0.07281251 -0.01424730 -0.00359566 -0.00590610 212 ALA   A CB   
1654 H H    . ALA   A 100 ? 0.09740176 0.00775222 0.06262945 -0.00271568 0.00184893  -0.00873333 212 ALA   A H    
1655 H HA   . ALA   A 100 ? 0.10256719 0.00884339 0.06462114 -0.00686834 0.00007012  -0.01085752 212 ALA   A HA   
1656 H HB1  . ALA   A 100 ? 0.11141925 0.01383193 0.07071334 -0.01165910 -0.00267367 -0.00791365 212 ALA   A HB1  
1657 H HB2  . ALA   A 100 ? 0.11249603 0.01385415 0.07093692 -0.01254565 -0.00320742 -0.00764520 212 ALA   A HB2  
1658 H HB3  . ALA   A 100 ? 0.11119315 0.01378595 0.07216593 -0.01182775 -0.00241330 -0.00732927 212 ALA   A HB3  
1659 N N    . VAL   A 101 ? 0.09392632 0.00801279 0.06372190 -0.00650389 0.00659706  -0.00874305 213 VAL   A N    
1660 C CA   . VAL   A 101 ? 0.10192916 0.00750606 0.07006104 -0.00965986 0.00376879  -0.00392307 213 VAL   A CA   
1661 C C    . VAL   A 101 ? 0.10439485 0.00953448 0.06803656 -0.00695321 0.00410974  -0.00991600 213 VAL   A C    
1662 O O    . VAL   A 101 ? 0.11415996 0.02506967 0.07177756 -0.01741373 0.01155636  -0.00850060 213 VAL   A O    
1663 C CB   . VAL   A 101 ? 0.10652814 0.00677061 0.07472631 -0.00300561 0.00163061  -0.00492553 213 VAL   A CB   
1664 C CG1  . VAL   A 101 ? 0.11577041 0.01123353 0.09116704 -0.00901023 -0.00519903 -0.00328956 213 VAL   A CG1  
1665 C CG2  . VAL   A 101 ? 0.10240025 0.01183619 0.07771444 0.00046803  -0.00141506 -0.00220718 213 VAL   A CG2  
1666 H H    . VAL   A 101 ? 0.09553017 0.00805560 0.06358011 -0.00650985 0.00539872  -0.00882204 213 VAL   A H    
1667 H HA   . VAL   A 101 ? 0.10203301 0.00754857 0.06926342 -0.00766461 0.00355091  -0.00643356 213 VAL   A HA   
1668 H HB   . VAL   A 101 ? 0.10564170 0.00678935 0.07653071 -0.00460355 0.00079199  -0.00416962 213 VAL   A HB   
1669 H HG11 . VAL   A 101 ? 0.11441573 0.00941393 0.08670804 -0.00768504 -0.00366676 -0.00376012 213 VAL   A HG11 
1670 H HG12 . VAL   A 101 ? 0.11314534 0.00935450 0.08793301 -0.00729682 -0.00269226 -0.00372605 213 VAL   A HG12 
1671 H HG13 . VAL   A 101 ? 0.11337721 0.01056944 0.08663967 -0.00787758 -0.00274583 -0.00454081 213 VAL   A HG13 
1672 H HG21 . VAL   A 101 ? 0.10383672 0.00975974 0.07678325 -0.00056539 -0.00045634 -0.00314764 213 VAL   A HG21 
1673 H HG22 . VAL   A 101 ? 0.10417019 0.01000539 0.07669456 -0.00011013 -0.00039040 -0.00307532 213 VAL   A HG22 
1674 H HG23 . VAL   A 101 ? 0.10385606 0.00962599 0.07678556 -0.00052074 -0.00050878 -0.00308697 213 VAL   A HG23 
1675 N N    . ASN   A 102 ? 0.11433206 0.00990526 0.06306010 -0.00818034 -0.00390506 -0.01263103 214 ASN   A N    
1676 C CA   . ASN   A 102 ? 0.11939545 0.00813780 0.06713157 -0.00801768 -0.00991493 -0.00790571 214 ASN   A CA   
1677 C C    . ASN   A 102 ? 0.14059585 0.01768749 0.07172376 -0.01507261 -0.00485403 -0.00506162 214 ASN   A C    
1678 O O    . ASN   A 102 ? 0.17057244 0.03098935 0.07459908 -0.01517659 -0.00393174 -0.00130278 214 ASN   A O    
1679 C CB   . ASN   A 102 ? 0.12117258 0.01368581 0.06606852 -0.01072797 -0.00496268 -0.01681893 214 ASN   A CB   
1680 C CG   . ASN   A 102 ? 0.11390900 0.01189564 0.07146811 -0.00955302 -0.00689800 -0.01685197 214 ASN   A CG   
1681 O OD1  . ASN   A 102 ? 0.10842601 0.01966016 0.07441176 -0.01411537 0.00294078  -0.01683070 214 ASN   A OD1  
1682 N ND2  . ASN   A 102 ? 0.12300453 0.01184221 0.07782739 0.00008819  0.00285192  -0.01328190 214 ASN   A ND2  
1683 H H    . ASN   A 102 ? 0.11292252 0.00904205 0.06508547 -0.00788783 -0.00309912 -0.01093765 214 ASN   A H    
1684 H HA   . ASN   A 102 ? 0.12085752 0.00989313 0.06671917 -0.00961508 -0.00688824 -0.01029136 214 ASN   A HA   
1685 H HB2  . ASN   A 102 ? 0.11956757 0.01112628 0.06772040 -0.00999631 -0.00641643 -0.01488278 214 ASN   A HB2  
1686 H HB3  . ASN   A 102 ? 0.11925700 0.01112764 0.06773411 -0.00994671 -0.00649147 -0.01489315 214 ASN   A HB3  
1687 H HD21 . ASN   A 102 ? 0.11941239 0.00979558 0.07503264 -0.00328758 -0.00033743 -0.01519997 214 ASN   A HD21 
1688 H HD22 . ASN   A 102 ? 0.11955643 0.01010307 0.07552272 -0.00310626 -0.00054355 -0.01551354 214 ASN   A HD22 
1689 N N    . ASP   A 103 ? 0.15865968 0.01738718 0.07330127 -0.01991476 -0.01075872 -0.00249509 215 ASP   A N    
1690 C CA   . ASP   A 103 ? 0.17200652 0.02274871 0.08960055 -0.01628502 -0.00758133 0.01102816  215 ASP   A CA   
1691 C C    . ASP   A 103 ? 0.17305078 0.02168438 0.09301091 -0.03206895 -0.01010114 0.01001457  215 ASP   A C    
1692 O O    . ASP   A 103 ? 0.20500344 0.06306956 0.12923419 -0.02011977 0.01836989  0.04224237  215 ASP   A O    
1693 C CB   . ASP   A 103 ? 0.19179076 0.04267872 0.11638552 -0.02248726 -0.01695906 0.02249647  215 ASP   A CB   
1694 C CG   . ASP   A 103 ? 0.19603625 0.06231102 0.14114591 -0.02168904 -0.02789934 0.03270332  215 ASP   A CG   
1695 O OD1  . ASP   A 103 ? 0.19213116 0.09918774 0.17348355 -0.02386292 -0.02009943 0.01752856  215 ASP   A OD1  
1696 O OD2  . ASP   A 103 ? 0.21207044 0.11043695 0.22266120 -0.04671960 -0.04563076 0.03314376  215 ASP   A OD2  
1697 H H    . ASP   A 103 ? 0.15473361 0.01805961 0.07487864 -0.01766022 -0.00835160 -0.00079044 215 ASP   A H    
1698 H HA   . ASP   A 103 ? 0.17156191 0.02390994 0.08989429 -0.02097519 -0.01029298 0.00962175  215 ASP   A HA   
1699 H HB2  . ASP   A 103 ? 0.18630806 0.04200642 0.11343432 -0.02029289 -0.01631101 0.02229980  215 ASP   A HB2  
1700 H HB3  . ASP   A 103 ? 0.18679775 0.04115785 0.11324134 -0.02025814 -0.01663436 0.02112261  215 ASP   A HB3  
1701 N N    . ALA   A 104 ? 0.15885697 0.04558684 0.07364204 -0.02304559 -0.00234275 0.00708130  216 ALA   A N    
1702 C CA   . ALA   A 104 ? 0.15109062 0.06360435 0.08390947 -0.03221237 0.00877898  -0.00740612 216 ALA   A CA   
1703 C C    . ALA   A 104 ? 0.14017501 0.04952649 0.07158674 -0.02302542 0.01949972  -0.01112421 216 ALA   A C    
1704 O O    . ALA   A 104 ? 0.13165934 0.03971590 0.06988695 -0.02403297 0.02115181  -0.01084243 216 ALA   A O    
1705 C CB   . ALA   A 104 ? 0.16141564 0.09670521 0.09274888 -0.01750556 0.01834795  -0.03225762 216 ALA   A CB   
1706 H H    . ALA   A 104 ? 0.15965953 0.04208097 0.07938747 -0.02720319 -0.00130814 0.00527114  216 ALA   A H    
1707 H HA   . ALA   A 104 ? 0.15198022 0.06097116 0.08063219 -0.02614033 0.01017766  -0.00839242 216 ALA   A HA   
1708 H HB1  . ALA   A 104 ? 0.15879822 0.08621521 0.09253027 -0.02177136 0.01586450  -0.02466893 216 ALA   A HB1  
1709 H HB2  . ALA   A 104 ? 0.15933485 0.08979532 0.09503917 -0.02068799 0.01419268  -0.02805645 216 ALA   A HB2  
1710 H HB3  . ALA   A 104 ? 0.15900604 0.08617184 0.09123453 -0.02193042 0.01502977  -0.02492626 216 ALA   A HB3  
1711 N N    . HIS   A 105 ? 0.14452718 0.03881922 0.08105867 -0.02268630 0.01493094  0.01045672  217 HIS   A N    
1712 C CA   . HIS   A 105 ? 0.14260781 0.04469830 0.09197722 -0.01948293 0.01569360  -0.00491099 217 HIS   A CA   
1713 C C    . HIS   A 105 ? 0.12783299 0.04510628 0.07574779 -0.00804058 0.02597229  -0.01080955 217 HIS   A C    
1714 O O    . HIS   A 105 ? 0.15027638 0.06769555 0.08520173 0.01535091  0.03351544  -0.00610967 217 HIS   A O    
1715 C CB   . HIS   A 105 ? 0.15142015 0.05483552 0.10930025 -0.02580802 0.01543539  0.00203701  217 HIS   A CB   
1716 C CG   . HIS   A 105 ? 0.16495197 0.05835202 0.12709923 -0.03139381 0.00655271  0.00667209  217 HIS   A CG   
1717 N ND1  . HIS   A 105 ? 0.18870994 0.10278949 0.15435176 -0.03484803 -0.00446295 -0.01183263 217 HIS   A ND1  
1718 C CD2  . HIS   A 105 ? 0.16821262 0.10116272 0.14320284 -0.03820454 0.01798266  0.00241070  217 HIS   A CD2  
1719 C CE1  . HIS   A 105 ? 0.19348882 0.10247357 0.14910190 -0.02321505 -0.01085185 -0.01460115 217 HIS   A CE1  
1720 N NE2  . HIS   A 105 ? 0.17265160 0.12535982 0.14685136 -0.04290984 0.00964254  -0.00062953 217 HIS   A NE2  
1721 H H    . HIS   A 105 ? 0.14300662 0.04153110 0.07639731 -0.02271358 0.01697771  0.00461148  217 HIS   A H    
1722 H HA   . HIS   A 105 ? 0.14135627 0.04503213 0.08955947 -0.01879746 0.01688456  -0.00165183 217 HIS   A HA   
1723 H HB2  . HIS   A 105 ? 0.15194806 0.05361795 0.10823358 -0.02578867 0.01381012  0.00097811  217 HIS   A HB2  
1724 H HB3  . HIS   A 105 ? 0.15175316 0.05293917 0.10814296 -0.02543707 0.01371443  0.00118116  217 HIS   A HB3  
1725 H HD1  . HIS   A 105 ? 0.15039863 0.15039863 0.15039863 0.00000000  0.00000000  0.00000000  217 HIS   A HD1  
1726 H HD2  . HIS   A 105 ? 0.16829585 0.09363435 0.13923915 -0.03719447 0.01309299  0.00273202  217 HIS   A HD2  
1727 H HE1  . HIS   A 105 ? 0.18719140 0.10643619 0.14718066 -0.03028401 -0.00412489 -0.01141055 217 HIS   A HE1  
1728 H HE2  . HIS   A 105 ? 0.14856216 0.14856216 0.14856216 0.00000000  0.00000000  0.00000000  217 HIS   A HE2  
1729 N N    . LEU   A 106 ? 0.10847776 0.02786095 0.07140914 0.00279582  0.01448952  -0.01160981 218 LEU   A N    
1730 C CA   . LEU   A 106 ? 0.10922053 0.02550958 0.07562231 0.00674992  0.01423664  -0.01381392 218 LEU   A CA   
1731 C C    . LEU   A 106 ? 0.10535650 0.02932201 0.08665261 0.01056377  0.01211269  -0.01660962 218 LEU   A C    
1732 O O    . LEU   A 106 ? 0.10684320 0.07042245 0.10857340 0.01185235  0.01053163  -0.04073653 218 LEU   A O    
1733 C CB   . LEU   A 106 ? 0.12130496 0.01813256 0.08143942 0.00101063  0.01061311  -0.01009217 218 LEU   A CB   
1734 C CG   . LEU   A 106 ? 0.13418001 0.02717543 0.09861708 0.00227388  0.00896397  -0.00371697 218 LEU   A CG   
1735 C CD1  . LEU   A 106 ? 0.15150543 0.03140658 0.12719819 0.00250200  0.01701859  -0.01420015 218 LEU   A CD1  
1736 C CD2  . LEU   A 106 ? 0.14893901 0.03123949 0.10363473 -0.00397806 0.01040153  0.01139978  218 LEU   A CD2  
1737 H H    . LEU   A 106 ? 0.11205626 0.02971410 0.07278998 0.00187735  0.01725410  -0.01261281 218 LEU   A H    
1738 H HA   . LEU   A 106 ? 0.11078212 0.02487268 0.07696727 0.00607494  0.01398280  -0.01430822 218 LEU   A HA   
1739 H HB2  . LEU   A 106 ? 0.12011099 0.02144116 0.08262040 0.00258727  0.01095167  -0.00991532 218 LEU   A HB2  
1740 H HB3  . LEU   A 106 ? 0.12013456 0.02112155 0.08233881 0.00277769  0.01128943  -0.01016526 218 LEU   A HB3  
1741 H HG   . LEU   A 106 ? 0.13503924 0.02620257 0.09879313 0.00087536  0.01052611  -0.00427894 218 LEU   A HG   
1742 H HD11 . LEU   A 106 ? 0.14697467 0.03110308 0.11745781 0.00325316  0.01377574  -0.01161253 218 LEU   A HD11 
1743 H HD12 . LEU   A 106 ? 0.14639211 0.03363158 0.11839098 0.00170018  0.01509806  -0.01265861 218 LEU   A HD12 
1744 H HD13 . LEU   A 106 ? 0.14762850 0.03097808 0.11878231 0.00292250  0.01600440  -0.01082616 218 LEU   A HD13 
1745 H HD21 . LEU   A 106 ? 0.14442132 0.03179501 0.10415230 -0.00257367 0.00941527  0.00877862  218 LEU   A HD21 
1746 H HD22 . LEU   A 106 ? 0.14514399 0.03034827 0.10290708 -0.00181393 0.01055229  0.00735593  218 LEU   A HD22 
1747 H HD23 . LEU   A 106 ? 0.14420608 0.03006053 0.10245580 -0.00196136 0.00990961  0.00731699  218 LEU   A HD23 
1748 N N    . LEU   A 107 ? 0.09372205 0.02872561 0.07423368 0.00929395  0.01246737  -0.01206921 219 LEU   A N    
1749 C CA   . LEU   A 107 ? 0.09678176 0.02179315 0.08300254 0.00254511  0.00774637  -0.00571701 219 LEU   A CA   
1750 C C    . LEU   A 107 ? 0.09555326 0.02400963 0.07596882 0.00291573  0.00510363  -0.00592715 219 LEU   A C    
1751 O O    . LEU   A 107 ? 0.09641678 0.02688509 0.07764021 0.00572975  0.00122492  -0.00628515 219 LEU   A O    
1752 C CB   . LEU   A 107 ? 0.10521609 0.02298947 0.09294192 -0.00183431 0.00065399  -0.00160528 219 LEU   A CB   
1753 C CG   . LEU   A 107 ? 0.10912252 0.03109668 0.09363502 0.00345755  -0.00014914 0.00645817  219 LEU   A CG   
1754 C CD1  . LEU   A 107 ? 0.11874901 0.03721139 0.09565445 0.01317856  0.00309661  0.00856570  219 LEU   A CD1  
1755 C CD2  . LEU   A 107 ? 0.12191150 0.03184654 0.09437700 -0.00359423 -0.00509835 0.00567215  219 LEU   A CD2  
1756 H H    . LEU   A 107 ? 0.09542697 0.02676086 0.07868756 0.00885840  0.01155232  -0.01170667 219 LEU   A H    
1757 H HA   . LEU   A 107 ? 0.09709445 0.02395945 0.08150890 0.00329630  0.00722074  -0.00649628 219 LEU   A HA   
1758 H HB2  . LEU   A 107 ? 0.10363058 0.02434663 0.09045339 0.00032203  0.00207212  -0.00096965 219 LEU   A HB2  
1759 H HB3  . LEU   A 107 ? 0.10400833 0.02477990 0.09072731 0.00034158  0.00215204  -0.00090750 219 LEU   A HB3  
1760 H HG   . LEU   A 107 ? 0.11128838 0.03037719 0.09353938 0.00298341  -0.00063032 0.00504854  219 LEU   A HG   
1761 H HD11 . LEU   A 107 ? 0.11559585 0.03539004 0.09489102 0.01004970  0.00215848  0.00752312  219 LEU   A HD11 
1762 H HD12 . LEU   A 107 ? 0.11638819 0.03530876 0.09543397 0.01037062  0.00167392  0.00756758  219 LEU   A HD12 
1763 H HD13 . LEU   A 107 ? 0.11668094 0.03521122 0.09541219 0.01018745  0.00263529  0.00777624  219 LEU   A HD13 
1764 H HD21 . LEU   A 107 ? 0.11832577 0.03157349 0.09426117 -0.00137830 -0.00358799 0.00577873  219 LEU   A HD21 
1765 H HD22 . LEU   A 107 ? 0.11895685 0.03164212 0.09447290 -0.00145748 -0.00332583 0.00580252  219 LEU   A HD22 
1766 H HD23 . LEU   A 107 ? 0.11898057 0.03170621 0.09470244 -0.00115212 -0.00406888 0.00569838  219 LEU   A HD23 
1767 N N    A GLN   A 108 ? 0.09784921 0.02215559 0.07700897 0.00388129  0.00531794  -0.00601393 220 GLN   A N    
1768 N N    B GLN   A 108 ? 0.09624849 0.02524555 0.08356874 0.00361228  0.00366687  -0.00735902 220 GLN   A N    
1769 C CA   A GLN   A 108 ? 0.11006296 0.01549958 0.07992440 0.00504099  0.00291184  -0.00188654 220 GLN   A CA   
1770 C CA   B GLN   A 108 ? 0.10838959 0.02142669 0.09133940 0.00568287  -0.00032476 -0.00656264 220 GLN   A CA   
1771 C C    A GLN   A 108 ? 0.10444739 0.00669631 0.08309849 0.00595863  0.00049774  -0.00034577 220 GLN   A C    
1772 C C    B GLN   A 108 ? 0.10484330 0.00772534 0.08875147 0.01051506  0.00037608  -0.00093218 220 GLN   A C    
1773 O O    A GLN   A 108 ? 0.10131162 0.00645041 0.08660077 0.00239159  -0.00161182 -0.00219039 220 GLN   A O    
1774 O O    B GLN   A 108 ? 0.10136675 0.03177597 0.09008824 0.01515753  0.00008679  0.00638410  220 GLN   A O    
1775 C CB   A GLN   A 108 ? 0.12911585 0.01974672 0.08389894 0.00388749  0.00653847  0.00458155  220 GLN   A CB   
1776 C CB   B GLN   A 108 ? 0.13539301 0.02347057 0.11146320 0.00218890  -0.00239456 -0.00312146 220 GLN   A CB   
1777 C CG   A GLN   A 108 ? 0.16407491 0.04514985 0.08909097 0.00069110  0.00464412  0.01195324  220 GLN   A CG   
1778 C CG   B GLN   A 108 ? 0.15285067 0.06620347 0.13613753 -0.00916468 -0.00666320 -0.00904176 220 GLN   A CG   
1779 C CD   A GLN   A 108 ? 0.20707603 0.06925665 0.10845437 -0.01503689 0.01584722  0.02896800  220 GLN   A CD   
1780 C CD   B GLN   A 108 ? 0.17987992 0.09454136 0.17716843 -0.02894414 -0.00323560 -0.00322471 220 GLN   A CD   
1781 O OE1  A GLN   A 108 ? 0.29032513 0.09820637 0.13532060 0.02108122  0.00066441  0.04950583  220 GLN   A OE1  
1782 O OE1  B GLN   A 108 ? 0.20224464 0.17606500 0.17771998 -0.04621743 -0.00326800 0.00970030  220 GLN   A OE1  
1783 N NE2  A GLN   A 108 ? 0.23801769 0.02404263 0.09725593 -0.03548498 0.02189224  0.02550398  220 GLN   A NE2  
1784 N NE2  B GLN   A 108 ? 0.18573868 0.13660458 0.21921137 -0.05572129 -0.00123603 -0.00741373 220 GLN   A NE2  
1785 H H    A GLN   A 108 ? 0.09910678 0.02108492 0.07741108 0.00422894  0.00493130  -0.00517472 220 GLN   A H    
1786 H H    B GLN   A 108 ? 0.09779212 0.02400579 0.08317900 0.00417919  0.00334852  -0.00687098 220 GLN   A H    
1787 H HA   A GLN   A 108 ? 0.10912751 0.01494859 0.08047815 0.00476826  0.00336777  -0.00151977 220 GLN   A HA   
1788 H HA   B GLN   A 108 ? 0.10837911 0.01962854 0.09132724 0.00577011  0.00029323  -0.00505788 220 GLN   A HA   
1789 H HB2  A GLN   A 108 ? 0.12856461 0.02219012 0.08345214 0.00366469  0.00529758  0.00419956  220 GLN   A HB2  
1790 H HB2  B GLN   A 108 ? 0.12983111 0.02929662 0.10909794 0.00127408  -0.00239915 -0.00526393 220 GLN   A HB2  
1791 H HB3  A GLN   A 108 ? 0.12861685 0.02197327 0.08323539 0.00364851  0.00529294  0.00398337  220 GLN   A HB3  
1792 H HB3  B GLN   A 108 ? 0.13000785 0.02947841 0.10976252 0.00115814  -0.00214133 -0.00526272 220 GLN   A HB3  
1793 H HG2  A GLN   A 108 ? 0.15995015 0.04021573 0.09008940 -0.00160327 0.00700320  0.01301872  220 GLN   A HG2  
1794 H HG2  B GLN   A 108 ? 0.15170069 0.05834771 0.13563964 -0.00961688 -0.00503153 -0.00527854 220 GLN   A HG2  
1795 H HG3  A GLN   A 108 ? 0.15854703 0.04042586 0.09039410 -0.00123465 0.00713905  0.01329659  220 GLN   A HG3  
1796 H HG3  B GLN   A 108 ? 0.15217254 0.05850201 0.13546602 -0.00936498 -0.00457005 -0.00596859 220 GLN   A HG3  
1797 H HE21 A GLN   A 108 ? 0.22903278 0.03442610 0.09900799 -0.03040458 0.02029783  0.02758614  220 GLN   A HE21 
1798 H HE21 B GLN   A 108 ? 0.18465808 0.12430117 0.21087494 -0.04722439 0.00022784  -0.00959822 220 GLN   A HE21 
1799 H HE22 A GLN   A 108 ? 0.22685304 0.02989327 0.09929570 -0.03365463 0.02153286  0.02874254  220 GLN   A HE22 
1800 H HE22 B GLN   A 108 ? 0.18468535 0.12581061 0.20620358 -0.04498111 -0.00195416 -0.00795503 220 GLN   A HE22 
1801 N N    . TYR   A 109 ? 0.09844911 0.00694151 0.07445083 0.00709668  -0.00242117 0.00187059  221 TYR   A N    
1802 C CA   . TYR   A 109 ? 0.10400992 0.00678078 0.07598432 0.00653130  -0.00450340 0.00059084  221 TYR   A CA   
1803 C C    . TYR   A 109 ? 0.09920005 0.00672363 0.06527074 0.00546830  0.00020690  0.00202949  221 TYR   A C    
1804 O O    . TYR   A 109 ? 0.09981438 0.00666023 0.07377576 0.00404438  -0.00323279 -0.00334581 221 TYR   A O    
1805 C CB   . TYR   A 109 ? 0.10780521 0.00652212 0.07878022 0.00351547  -0.00610334 -0.00242094 221 TYR   A CB   
1806 C CG   . TYR   A 109 ? 0.10987464 0.00638849 0.08540300 0.00044286  -0.00379470 -0.00208080 221 TYR   A CG   
1807 C CD1  . TYR   A 109 ? 0.10583267 0.00644980 0.08446514 0.00202950  0.00010125  -0.00243169 221 TYR   A CD1  
1808 C CD2  . TYR   A 109 ? 0.10552289 0.00676263 0.08124807 0.00444427  -0.00073658 0.00412597  221 TYR   A CD2  
1809 C CE1  . TYR   A 109 ? 0.10128696 0.00648773 0.08354747 0.00361974  0.00446118  0.00131918  221 TYR   A CE1  
1810 C CE2  . TYR   A 109 ? 0.10332838 0.00732348 0.08119664 0.00980313  0.00439614  0.00053514  221 TYR   A CE2  
1811 C CZ   . TYR   A 109 ? 0.09202265 0.00663766 0.08189414 -0.00065806 0.00306813  0.00473417  221 TYR   A CZ   
1812 O OH   . TYR   A 109 ? 0.09836885 0.00889934 0.07671047 -0.00044225 -0.00320380 0.00907979  221 TYR   A OH   
1813 H H    . TYR   A 109 ? 0.10036504 0.00710631 0.07860580 0.00843974  -0.00194461 0.00090788  221 TYR   A H    
1814 H HA   . TYR   A 109 ? 0.10300460 0.00668713 0.07428125 0.00577458  -0.00332998 0.00060761  221 TYR   A HA   
1815 H HB2  . TYR   A 109 ? 0.10745071 0.00648260 0.07950207 0.00338538  -0.00526924 -0.00181121 221 TYR   A HB2  
1816 H HB3  . TYR   A 109 ? 0.10764356 0.00647226 0.07956731 0.00329933  -0.00525419 -0.00170421 221 TYR   A HB3  
1817 H HD1  . TYR   A 109 ? 0.10557918 0.00640761 0.08408367 0.00212237  0.00036622  -0.00150995 221 TYR   A HD1  
1818 H HD2  . TYR   A 109 ? 0.10621727 0.00655267 0.08218861 0.00423229  -0.00015733 0.00175136  221 TYR   A HD2  
1819 H HE1  . TYR   A 109 ? 0.09994169 0.00642041 0.08326605 0.00249767  0.00300089  0.00135561  221 TYR   A HE1  
1820 H HE2  . TYR   A 109 ? 0.10083792 0.00674263 0.08031583 0.00593620  0.00316346  0.00185560  221 TYR   A HE2  
1821 H HH   . TYR   A 109 ? 0.06133731 0.06133731 0.06133731 0.00000000  0.00000000  0.00000000  221 TYR   A HH   
1822 N N    . ASN   A 110 ? 0.10109149 0.00678430 0.07343984 0.00653311  0.00180972  -0.00016759 222 ASN   A N    
1823 C CA   . ASN   A 110 ? 0.10555110 0.01093078 0.07896861 -0.00177789 -0.00425553 -0.00249969 222 ASN   A CA   
1824 C C    . ASN   A 110 ? 0.10712623 0.00642109 0.07922642 -0.00293105 -0.00439316 -0.00035879 222 ASN   A C    
1825 O O    . ASN   A 110 ? 0.12866366 0.00634750 0.07117327 0.00123894  -0.00847762 -0.00047459 222 ASN   A O    
1826 C CB   . ASN   A 110 ? 0.11890578 0.02944230 0.11102601 -0.01202919 -0.00755389 -0.01319493 222 ASN   A CB   
1827 C CG   . ASN   A 110 ? 0.18097293 0.14495790 0.17103732 -0.03267537 0.00416663  0.01116749  222 ASN   A CG   
1828 O OD1  . ASN   A 110 ? 0.20657678 0.27231458 0.15925363 -0.03274979 0.00247119  0.03689586  222 ASN   A OD1  
1829 N ND2  . ASN   A 110 ? 0.25478226 0.18381217 0.20058495 -0.07431643 -0.01724008 -0.00868590 222 ASN   A ND2  
1830 H H    . ASN   A 110 ? 0.10059230 0.00664880 0.07288761 0.00543805  0.00030323  -0.00038799 222 ASN   A H    
1831 H HA   . ASN   A 110 ? 0.10660743 0.00925140 0.08191250 -0.00166515 -0.00357541 -0.00258819 222 ASN   A HA   
1832 H HB2  . ASN   A 110 ? 0.11810182 0.02970636 0.10372994 -0.01057273 -0.00469642 -0.00673439 222 ASN   A HB2  
1833 H HB3  . ASN   A 110 ? 0.11917752 0.03119187 0.10543481 -0.01133192 -0.00483872 -0.00657304 222 ASN   A HB3  
1834 H HD21 . ASN   A 110 ? 0.22343291 0.16456191 0.19381356 -0.05675166 -0.00911690 -0.00220991 222 ASN   A HD21 
1835 H HD22 . ASN   A 110 ? 0.22842696 0.17521791 0.19466150 -0.05593984 -0.01135696 -0.00617069 222 ASN   A HD22 
1836 N N    . HIS   A 111 ? 0.09671944 0.00686118 0.08362520 -0.00688801 -0.00769286 0.00111690  223 HIS   A N    
1837 C CA   . HIS   A 111 ? 0.09277821 0.00795032 0.08215656 -0.01182554 -0.00397671 0.00057928  223 HIS   A CA   
1838 C C    . HIS   A 111 ? 0.10017333 0.00878091 0.07870257 -0.01476087 -0.00874842 0.00438443  223 HIS   A C    
1839 O O    . HIS   A 111 ? 0.11326715 0.06573316 0.09493484 -0.04226222 -0.02482211 0.02965133  223 HIS   A O    
1840 C CB   . HIS   A 111 ? 0.09814709 0.00805713 0.08026836 -0.01224139 0.00156133  0.00240535  223 HIS   A CB   
1841 C CG   . HIS   A 111 ? 0.09534827 0.00774636 0.07134046 -0.01106610 0.00430661  0.00103501  223 HIS   A CG   
1842 N ND1  . HIS   A 111 ? 0.09881383 0.00888077 0.07128356 -0.01465797 0.00066212  -0.00392705 223 HIS   A ND1  
1843 C CD2  . HIS   A 111 ? 0.09380489 0.00726918 0.07239324 -0.00845003 0.00836668  0.00199355  223 HIS   A CD2  
1844 C CE1  . HIS   A 111 ? 0.09905388 0.00709243 0.07526240 -0.00837041 -0.00192944 0.00071201  223 HIS   A CE1  
1845 N NE2  . HIS   A 111 ? 0.10245305 0.00680196 0.07461129 -0.00619775 0.00261722  0.00201223  223 HIS   A NE2  
1846 H H    . HIS   A 111 ? 0.09802707 0.00690610 0.08191238 -0.00722534 -0.00586854 0.00102170  223 HIS   A H    
1847 H HA   . HIS   A 111 ? 0.09479036 0.00800862 0.08136488 -0.01212099 -0.00449432 0.00167985  223 HIS   A HA   
1848 H HB2  . HIS   A 111 ? 0.09641825 0.00790319 0.07861847 -0.01173033 0.00089917  0.00164891  223 HIS   A HB2  
1849 H HB3  . HIS   A 111 ? 0.09633921 0.00794615 0.07908472 -0.01187631 0.00072360  0.00174328  223 HIS   A HB3  
1850 H HD1  . HIS   A 111 ? 0.05670187 0.05670187 0.05670187 0.00000000  0.00000000  0.00000000  223 HIS   A HD1  
1851 H HD2  . HIS   A 111 ? 0.09571990 0.00734069 0.07267431 -0.00907813 0.00613878  0.00175929  223 HIS   A HD2  
1852 H HE1  . HIS   A 111 ? 0.09935170 0.00729135 0.07406270 -0.00944304 -0.00032018 -0.00005799 223 HIS   A HE1  
1853 H HE2  . HIS   A 111 ? 0.05760109 0.05760109 0.05760109 0.00000000  0.00000000  0.00000000  223 HIS   A HE2  
1854 N N    . ARG   A 112 ? 0.09056783 0.00758941 0.07969300 -0.01017171 -0.00693730 0.00227918  224 ARG   A N    
1855 C CA   . ARG   A 112 ? 0.09183735 0.00742716 0.08280212 -0.00775599 -0.00820380 -0.00469587 224 ARG   A CA   
1856 C C    . ARG   A 112 ? 0.10036130 0.00730691 0.07861798 -0.00393145 -0.00904387 -0.00722727 224 ARG   A C    
1857 O O    . ARG   A 112 ? 0.11032975 0.03973043 0.08854227 -0.00732967 -0.00714793 -0.02690482 224 ARG   A O    
1858 C CB   . ARG   A 112 ? 0.09375329 0.00660463 0.08125985 -0.00373012 -0.00961171 -0.00247748 224 ARG   A CB   
1859 C CG   . ARG   A 112 ? 0.09784679 0.00633814 0.08968349 0.00064645  -0.00840241 -0.00034293 224 ARG   A CG   
1860 C CD   . ARG   A 112 ? 0.09744733 0.00637153 0.09341922 0.00045808  -0.00790788 -0.00181879 224 ARG   A CD   
1861 N NE   . ARG   A 112 ? 0.09993847 0.00658339 0.09506273 0.00479583  -0.00241850 0.00054724  224 ARG   A NE   
1862 C CZ   . ARG   A 112 ? 0.10019828 0.00777597 0.09612614 0.01163646  -0.01195591 -0.00121492 224 ARG   A CZ   
1863 N NH1  . ARG   A 112 ? 0.10496732 0.00897633 0.09692778 0.01574974  -0.01920455 0.00027892  224 ARG   A NH1  
1864 N NH2  . ARG   A 112 ? 0.11959288 0.01637165 0.10268325 0.01498970  -0.00446323 -0.00456677 224 ARG   A NH2  
1865 H H    . ARG   A 112 ? 0.09234151 0.00776158 0.08008251 -0.01108606 -0.00783946 0.00095017  224 ARG   A H    
1866 H HA   . ARG   A 112 ? 0.09287442 0.00715286 0.08118625 -0.00732665 -0.00838438 -0.00313824 224 ARG   A HA   
1867 H HB2  . ARG   A 112 ? 0.09408894 0.00659511 0.08317536 -0.00367129 -0.00910670 -0.00249421 224 ARG   A HB2  
1868 H HB3  . ARG   A 112 ? 0.09390425 0.00658541 0.08257183 -0.00362530 -0.00942002 -0.00239003 224 ARG   A HB3  
1869 H HG2  . ARG   A 112 ? 0.09726334 0.00635101 0.08845484 -0.00014470 -0.00860874 -0.00120209 224 ARG   A HG2  
1870 H HG3  . ARG   A 112 ? 0.09694757 0.00635212 0.08875524 -0.00040974 -0.00832577 -0.00116361 224 ARG   A HG3  
1871 H HD2  . ARG   A 112 ? 0.09773590 0.00636338 0.09256206 0.00146917  -0.00677567 -0.00089254 224 ARG   A HD2  
1872 H HD3  . ARG   A 112 ? 0.09789330 0.00636665 0.09264010 0.00155141  -0.00699427 -0.00093446 224 ARG   A HD3  
1873 H HE   . ARG   A 112 ? 0.09939659 0.00662042 0.09402667 0.00515798  -0.00554562 0.00010542  224 ARG   A HE   
1874 H HH11 . ARG   A 112 ? 0.10358925 0.00861225 0.09669413 0.01467795  -0.01680377 -0.00016172 224 ARG   A HH11 
1875 H HH12 . ARG   A 112 ? 0.10337688 0.00850464 0.09659961 0.01431602  -0.01676034 -0.00018033 224 ARG   A HH12 
1876 H HH21 . ARG   A 112 ? 0.11212837 0.01616727 0.10039845 0.01417991  -0.00726865 -0.00334587 224 ARG   A HH21 
1877 H HH22 . ARG   A 112 ? 0.11224040 0.01332222 0.10127324 0.01415570  -0.00743224 -0.00408728 224 ARG   A HH22 
1878 N N    . VAL   A 113 ? 0.10687750 0.00925317 0.08091798 0.00109645  -0.00551241 -0.01475913 225 VAL   A N    
1879 C CA   . VAL   A 113 ? 0.11242682 0.01232896 0.06617916 0.00249893  -0.00975066 -0.01893844 225 VAL   A CA   
1880 C C    . VAL   A 113 ? 0.11540702 0.01684850 0.06649710 0.00011000  0.00163352  -0.00759971 225 VAL   A C    
1881 O O    . VAL   A 113 ? 0.15570457 0.03339962 0.07921141 0.01659711  -0.01835212 -0.00749813 225 VAL   A O    
1882 C CB   . VAL   A 113 ? 0.11101950 0.02360917 0.07484362 0.00262478  0.00045268  -0.01463574 225 VAL   A CB   
1883 C CG1  . VAL   A 113 ? 0.11574008 0.03592861 0.07894447 0.00303968  0.00334937  -0.02166087 225 VAL   A CG1  
1884 C CG2  . VAL   A 113 ? 0.10591868 0.02661833 0.08150318 0.00121080  0.00398389  -0.01388294 225 VAL   A CG2  
1885 H H    . VAL   A 113 ? 0.10654563 0.00871308 0.07768460 0.00042620  -0.00674658 -0.01301495 225 VAL   A H    
1886 H HA   . VAL   A 113 ? 0.11069262 0.01224178 0.06679030 0.00140486  -0.00682349 -0.01620955 225 VAL   A HA   
1887 H HB   . VAL   A 113 ? 0.11129136 0.02265274 0.07534601 0.00246843  -0.00022767 -0.01650795 225 VAL   A HB   
1888 H HG11 . VAL   A 113 ? 0.11455903 0.03255885 0.07827379 0.00295847  0.00270852  -0.01964447 225 VAL   A HG11 
1889 H HG12 . VAL   A 113 ? 0.11468230 0.03385171 0.07865258 0.00238672  0.00292982  -0.02073670 225 VAL   A HG12 
1890 H HG13 . VAL   A 113 ? 0.11507655 0.03280430 0.07799675 0.00331728  0.00242190  -0.01986906 225 VAL   A HG13 
1891 H HG21 . VAL   A 113 ? 0.10685205 0.02523756 0.07954416 0.00142380  0.00308577  -0.01395700 225 VAL   A HG21 
1892 H HG22 . VAL   A 113 ? 0.10739682 0.02549583 0.07965977 0.00158089  0.00297036  -0.01402318 225 VAL   A HG22 
1893 H HG23 . VAL   A 113 ? 0.10754656 0.02560844 0.08028860 0.00167713  0.00335681  -0.01388344 225 VAL   A HG23 
1894 N N    . LYS   A 114 ? 0.11470940 0.01011450 0.06899945 -0.00567492 0.00014423  -0.00175538 226 LYS   A N    
1895 C CA   . LYS   A 114 ? 0.11076764 0.01676885 0.08557466 -0.00382863 0.00785693  0.00923233  226 LYS   A CA   
1896 C C    . LYS   A 114 ? 0.10466962 0.00774298 0.08242782 -0.01129140 0.00116846  0.00280909  226 LYS   A C    
1897 O O    . LYS   A 114 ? 0.10174794 0.01171056 0.10151173 -0.00845675 0.00709202  0.01404627  226 LYS   A O    
1898 C CB   . LYS   A 114 ? 0.12331368 0.03502304 0.12852129 -0.00697908 0.00579970  0.01877159  226 LYS   A CB   
1899 C CG   . LYS   A 114 ? 0.14464405 0.06952050 0.14349511 -0.00024817 0.00838836  0.02200077  226 LYS   A CG   
1900 C CD   . LYS   A 114 ? 0.14157219 0.08535012 0.15204860 0.00106134  0.02564021  0.03135935  226 LYS   A CD   
1901 C CE   . LYS   A 114 ? 0.13383213 0.08341733 0.12534632 0.00920971  0.02550997  0.03503852  226 LYS   A CE   
1902 N NZ   . LYS   A 114 ? 0.12466811 0.09681221 0.12028736 -0.00246251 0.02389590  0.03959476  226 LYS   A NZ   
1903 H H    . LYS   A 114 ? 0.11397395 0.01284861 0.06988932 -0.00385703 0.00161786  -0.00089727 226 LYS   A H    
1904 H HA   . LYS   A 114 ? 0.11202345 0.01460784 0.08555338 -0.00607770 0.00448492  0.00692992  226 LYS   A HA   
1905 H HB2  . LYS   A 114 ? 0.12175891 0.03344344 0.12087651 -0.00483486 0.00729258  0.01664038  226 LYS   A HB2  
1906 H HB3  . LYS   A 114 ? 0.12172349 0.03443220 0.11662689 -0.00481259 0.00695238  0.01607425  226 LYS   A HB3  
1907 H HG2  . LYS   A 114 ? 0.13658376 0.06133031 0.14028011 -0.00176665 0.01158926  0.02256433  226 LYS   A HG2  
1908 H HG3  . LYS   A 114 ? 0.13665202 0.06587569 0.13996121 -0.00187139 0.01140246  0.01992682  226 LYS   A HG3  
1909 H HD2  . LYS   A 114 ? 0.14054960 0.08156270 0.14735872 0.00289042  0.02199675  0.03085439  226 LYS   A HD2  
1910 H HD3  . LYS   A 114 ? 0.14046255 0.08318491 0.14518565 0.00287035  0.02163041  0.02874698  226 LYS   A HD3  
1911 H HE2  . LYS   A 114 ? 0.13334836 0.08553623 0.12951392 0.00443013  0.02513329  0.03577583  226 LYS   A HE2  
1912 H HE3  . LYS   A 114 ? 0.13388857 0.08692544 0.12972791 0.00491368  0.02545899  0.03555439  226 LYS   A HE3  
1913 H HZ1  . LYS   A 114 ? 0.12678000 0.09243904 0.12185803 0.00033765  0.02362688  0.03769808  226 LYS   A HZ1  
1914 H HZ2  . LYS   A 114 ? 0.12750253 0.09339752 0.12204158 0.00086822  0.02408588  0.03774144  226 LYS   A HZ2  
1915 H HZ3  . LYS   A 114 ? 0.12835468 0.09339958 0.12190671 0.00014590  0.02393960  0.03819224  226 LYS   A HZ3  
1916 N N    . LYS   A 115 ? 0.09981114 0.01041566 0.08143426 -0.01360648 0.00142115  0.00170332  227 LYS   A N    
1917 C CA   . LYS   A 115 ? 0.10055926 0.01392614 0.08341448 -0.01814140 0.00102069  -0.00285120 227 LYS   A CA   
1918 C C    . LYS   A 115 ? 0.09727377 0.00956278 0.08477054 -0.01614501 0.00104882  -0.00471301 227 LYS   A C    
1919 O O    . LYS   A 115 ? 0.09771044 0.00836515 0.07813861 -0.01254564 0.00181764  0.00446813  227 LYS   A O    
1920 C CB   . LYS   A 115 ? 0.11134552 0.05345181 0.09391836 -0.02257293 0.00345118  -0.01046474 227 LYS   A CB   
1921 C CG   . LYS   A 115 ? 0.12115747 0.07922214 0.10987736 -0.03907026 0.00197111  -0.01268591 227 LYS   A CG   
1922 C CD   . LYS   A 115 ? 0.14644016 0.13529913 0.12422577 -0.05030274 0.00182962  -0.00253289 227 LYS   A CD   
1923 C CE   . LYS   A 115 ? 0.17672956 0.21033847 0.16070023 -0.07598473 -0.00878013 -0.01434564 227 LYS   A CE   
1924 N NZ   . LYS   A 115 ? 0.24135493 0.29570481 0.20111181 -0.09191228 0.00800950  -0.01604906 227 LYS   A NZ   
1925 H H    . LYS   A 115 ? 0.10137907 0.00971441 0.08185600 -0.01388382 0.00122338  0.00122623  227 LYS   A H    
1926 H HA   . LYS   A 115 ? 0.10108807 0.01399109 0.08462678 -0.01782155 0.00154597  -0.00272809 227 LYS   A HA   
1927 H HB2  . LYS   A 115 ? 0.10968597 0.05122592 0.09356341 -0.02442761 0.00250912  -0.00973819 227 LYS   A HB2  
1928 H HB3  . LYS   A 115 ? 0.10983171 0.04626608 0.09333644 -0.02432836 0.00243538  -0.00875097 227 LYS   A HB3  
1929 H HG2  . LYS   A 115 ? 0.12205061 0.08021280 0.10730579 -0.03646109 0.00234457  -0.01032486 227 LYS   A HG2  
1930 H HG3  . LYS   A 115 ? 0.12213394 0.07944761 0.10712362 -0.03636127 0.00227172  -0.01018760 227 LYS   A HG3  
1931 H HD2  . LYS   A 115 ? 0.14306900 0.13009426 0.12474805 -0.05149386 0.00006882  -0.00804497 227 LYS   A HD2  
1932 H HD3  . LYS   A 115 ? 0.14399068 0.12875751 0.12512726 -0.05168996 -0.00021340 -0.00753884 227 LYS   A HD3  
1933 H HE2  . LYS   A 115 ? 0.17642152 0.20299742 0.15419227 -0.07218120 -0.00268151 -0.01136047 227 LYS   A HE2  
1934 H HE3  . LYS   A 115 ? 0.17834219 0.19688633 0.15410113 -0.07100637 -0.00374583 -0.01085047 227 LYS   A HE3  
1935 H HZ1  . LYS   A 115 ? 0.22634196 0.26485103 0.18707280 -0.08658755 -0.00088217 -0.01384742 227 LYS   A HZ1  
1936 H HZ2  . LYS   A 115 ? 0.21950883 0.27530563 0.18588014 -0.08852421 0.00270025  -0.01554041 227 LYS   A HZ2  
1937 H HZ3  . LYS   A 115 ? 0.22433010 0.26927131 0.18903516 -0.08012109 0.00690036  -0.01021181 227 LYS   A HZ3  
1938 N N    . LEU   A 116 ? 0.09914483 0.01642630 0.08098564 -0.01894440 -0.00145012 0.00215095  228 LEU   A N    
1939 C CA   . LEU   A 116 ? 0.09664056 0.01526594 0.09146220 -0.01549852 0.00079814  -0.00810104 228 LEU   A CA   
1940 C C    . LEU   A 116 ? 0.09406655 0.00760762 0.07632866 -0.00913164 -0.00208928 0.00498217  228 LEU   A C    
1941 O O    . LEU   A 116 ? 0.08314745 0.01561801 0.07398395 -0.00810844 -0.00131926 0.00202235  228 LEU   A O    
1942 C CB   . LEU   A 116 ? 0.10547475 0.07626692 0.10551550 -0.01218670 0.00533603  0.00791956  228 LEU   A CB   
1943 C CG   . LEU   A 116 ? 0.11579577 0.04751945 0.06824400 -0.00809379 0.00673974  -0.00292301 228 LEU   A CG   
1944 C CD1  . LEU   A 116 ? 0.11632635 0.06136056 0.08092931 -0.00654788 0.00164221  0.01076848  228 LEU   A CD1  
1945 C CD2  . LEU   A 116 ? 0.12056646 0.04288683 0.08782338 -0.00838438 0.02008461  -0.00439416 228 LEU   A CD2  
1946 H H    . LEU   A 116 ? 0.09789564 0.01422533 0.08409150 -0.01789906 -0.00014637 -0.00158134 228 LEU   A H    
1947 H HA   . LEU   A 116 ? 0.09751607 0.01463588 0.08690059 -0.01389245 0.00052564  -0.00147889 228 LEU   A HA   
1948 H HB2  . LEU   A 116 ? 0.10632892 0.06626362 0.09184629 -0.01400066 0.00483070  0.00294839  228 LEU   A HB2  
1949 H HB3  . LEU   A 116 ? 0.10849166 0.05260706 0.09368810 -0.01076331 0.00728733  0.00276778  228 LEU   A HB3  
1950 H HG   . LEU   A 116 ? 0.11328588 0.05198403 0.07759781 -0.00971462 0.00637365  -0.00004178 228 LEU   A HG   
1951 H HD11 . LEU   A 116 ? 0.11649013 0.06034530 0.07699895 -0.00762751 0.00331968  0.00692751  228 LEU   A HD11 
1952 H HD12 . LEU   A 116 ? 0.11720780 0.05744553 0.07690977 -0.00724259 0.00305244  0.00660250  228 LEU   A HD12 
1953 H HD13 . LEU   A 116 ? 0.11700791 0.05762716 0.07739957 -0.00686662 0.00390210  0.00680678  228 LEU   A HD13 
1954 H HD21 . LEU   A 116 ? 0.11876228 0.04456580 0.08430779 -0.00821950 0.01608123  -0.00500276 228 LEU   A HD21 
1955 H HD22 . LEU   A 116 ? 0.12001511 0.04503844 0.08262175 -0.00745335 0.01690551  -0.00355464 228 LEU   A HD22 
1956 H HD23 . LEU   A 116 ? 0.11881441 0.04459445 0.08198348 -0.00807428 0.01629522  -0.00407587 228 LEU   A HD23 
1957 N N    . ASN   A 117 ? 0.11224007 0.00726842 0.08548262 -0.00471461 0.00367702  0.00741035  229 ASN   A N    
1958 C CA   . ASN   A 117 ? 0.12587324 0.00969240 0.09442710 -0.00068358 0.00778419  0.00786742  229 ASN   A CA   
1959 C C    . ASN   A 117 ? 0.11269327 0.00658476 0.08482970 0.00324247  0.00351179  0.00357354  229 ASN   A C    
1960 O O    . ASN   A 117 ? 0.11567408 0.01990075 0.09863596 0.01282399  0.00448478  0.00760890  229 ASN   A O    
1961 C CB   . ASN   A 117 ? 0.16150105 0.01198387 0.13440794 0.00772754  0.01428988  0.00958178  229 ASN   A CB   
1962 C CG   . ASN   A 117 ? 0.19810133 0.03161979 0.16991626 -0.02116825 -0.00076982 0.00441506  229 ASN   A CG   
1963 O OD1  . ASN   A 117 ? 0.27014923 0.05525656 0.16089155 -0.00448763 -0.02513009 -0.01399429 229 ASN   A OD1  
1964 N ND2  . ASN   A 117 ? 0.24943292 0.05800441 0.23629721 0.01408061  -0.01015705 -0.02060224 229 ASN   A ND2  
1965 H H    . ASN   A 117 ? 0.10940148 0.00721179 0.08429188 -0.00484719 0.00310707  0.00697487  229 ASN   A H    
1966 H HA   . ASN   A 117 ? 0.12241906 0.00694501 0.09416488 0.00056065  0.00725551  0.00733403  229 ASN   A HA   
1967 H HB2  . ASN   A 117 ? 0.15627249 0.01477521 0.12653621 0.00015086  0.00949511  0.00791230  229 ASN   A HB2  
1968 H HB3  . ASN   A 117 ? 0.15553537 0.01513045 0.12766163 0.00069692  0.00891959  0.00714060  229 ASN   A HB3  
1969 H HD21 . ASN   A 117 ? 0.22967343 0.04921453 0.21154971 -0.00171866 -0.00176413 -0.01309986 229 ASN   A HD21 
1970 H HD22 . ASN   A 117 ? 0.22989145 0.04938127 0.21580994 0.00188521  -0.00247130 -0.00790895 229 ASN   A HD22 
1971 N N    . GLU   A 118 ? 0.10910685 0.00652377 0.07498032 -0.00396596 0.00749476  -0.00190070 230 GLU   A N    
1972 C CA   . GLU   A 118 ? 0.10742877 0.00647102 0.07139811 0.00031855  0.00686618  -0.00295787 230 GLU   A CA   
1973 C C    . GLU   A 118 ? 0.09677187 0.00643434 0.06751015 0.00234922  0.00350005  -0.00148578 230 GLU   A C    
1974 O O    . GLU   A 118 ? 0.09844865 0.00636417 0.06212508 -0.00129729 0.00530061  0.00078436  230 GLU   A O    
1975 C CB   . GLU   A 118 ? 0.11026280 0.00943405 0.07720058 -0.00746794 0.00781606  -0.01398763 230 GLU   A CB   
1976 C CG   . GLU   A 118 ? 0.12825657 0.01149253 0.08935809 -0.01515899 0.00907023  -0.01755069 230 GLU   A CG   
1977 C CD   . GLU   A 118 ? 0.14869741 0.03232633 0.09418013 -0.02481590 0.00678713  -0.01951537 230 GLU   A CD   
1978 O OE1  . GLU   A 118 ? 0.16385861 0.04970336 0.10645112 -0.01825397 -0.00244028 -0.03067261 230 GLU   A OE1  
1979 O OE2  . GLU   A 118 ? 0.21880753 0.04857600 0.13670085 -0.03664588 -0.01336940 -0.03947376 230 GLU   A OE2  
1980 H H    . GLU   A 118 ? 0.10895834 0.00636640 0.07609783 -0.00150442 0.00636472  -0.00099589 230 GLU   A H    
1981 H HA   . GLU   A 118 ? 0.10604963 0.00659324 0.07245268 -0.00125434 0.00647809  -0.00409239 230 GLU   A HA   
1982 H HB2  . GLU   A 118 ? 0.11219450 0.00857401 0.07826212 -0.00674650 0.00798498  -0.01187577 230 GLU   A HB2  
1983 H HB3  . GLU   A 118 ? 0.11292416 0.00885245 0.07905772 -0.00648910 0.00736870  -0.01283586 230 GLU   A HB3  
1984 H HG2  . GLU   A 118 ? 0.12701267 0.01156965 0.08658670 -0.01516970 0.00819092  -0.01732104 230 GLU   A HG2  
1985 H HG3  . GLU   A 118 ? 0.12671433 0.01148946 0.08642227 -0.01525288 0.00837689  -0.01707233 230 GLU   A HG3  
1986 N N    . ILE   A 119 ? 0.09885522 0.00684449 0.06615970 0.00466767  -0.00320532 -0.00422455 231 ILE   A N    
1987 C CA   . ILE   A 119 ? 0.09814720 0.00710459 0.06491482 0.00570561  -0.00089535 -0.00500035 231 ILE   A CA   
1988 C C    . ILE   A 119 ? 0.10065750 0.00812951 0.07343807 0.01029854  -0.00410241 -0.00715673 231 ILE   A C    
1989 O O    . ILE   A 119 ? 0.10288227 0.02772881 0.07597705 0.01424577  -0.00479885 -0.00086937 231 ILE   A O    
1990 C CB   . ILE   A 119 ? 0.09689460 0.00669255 0.07022425 0.00501042  0.00441666  -0.00205113 231 ILE   A CB   
1991 C CG1  . ILE   A 119 ? 0.09976309 0.00705579 0.07388031 0.00806604  0.01016899  0.00221326  231 ILE   A CG1  
1992 C CG2  . ILE   A 119 ? 0.10335943 0.00740736 0.07010503 0.00311038  0.00517282  -0.00770262 231 ILE   A CG2  
1993 C CD1  . ILE   A 119 ? 0.09904166 0.00704588 0.08413117 0.00812910  0.01191160  0.00123748  231 ILE   A CD1  
1994 H H    . ILE   A 119 ? 0.09843381 0.00677550 0.06660941 0.00432364  -0.00090913 -0.00384532 231 ILE   A H    
1995 H HA   . ILE   A 119 ? 0.09847927 0.00703689 0.06690536 0.00622252  -0.00113410 -0.00422438 231 ILE   A HA   
1996 H HB   . ILE   A 119 ? 0.09873712 0.00677542 0.06906164 0.00549986  0.00438395  -0.00242606 231 ILE   A HB   
1997 H HG12 . ILE   A 119 ? 0.09879428 0.00694287 0.07454713 0.00745938  0.00901840  0.00148357  231 ILE   A HG12 
1998 H HG13 . ILE   A 119 ? 0.09883682 0.00695336 0.07518361 0.00750528  0.00909427  0.00163436  231 ILE   A HG13 
1999 H HG21 . ILE   A 119 ? 0.10154042 0.00708803 0.07067059 0.00374307  0.00503120  -0.00604505 231 ILE   A HG21 
2000 H HG22 . ILE   A 119 ? 0.10157140 0.00728134 0.07139394 0.00350466  0.00524095  -0.00709405 231 ILE   A HG22 
2001 H HG23 . ILE   A 119 ? 0.10188338 0.00710459 0.07057356 0.00379311  0.00507993  -0.00610330 231 ILE   A HG23 
2002 H HD11 . ILE   A 119 ? 0.09939978 0.00700294 0.08177445 0.00789655  0.01164475  0.00083001  231 ILE   A HD11 
2003 H HD12 . ILE   A 119 ? 0.09945223 0.00703946 0.08116160 0.00809523  0.01148648  0.00147658  231 ILE   A HD12 
2004 H HD13 . ILE   A 119 ? 0.09932401 0.00704746 0.08127855 0.00810249  0.01134230  0.00179660  231 ILE   A HD13 
2005 N N    . SER   A 120 ? 0.09044421 0.00841811 0.07369454 0.01052640  -0.00874029 -0.00823852 232 SER   A N    
2006 C CA   . SER   A 120 ? 0.09216769 0.01077823 0.08380987 0.00782623  -0.00483187 -0.01741509 232 SER   A CA   
2007 C C    . SER   A 120 ? 0.08996584 0.01247441 0.07532408 0.00575864  -0.00212691 -0.02004785 232 SER   A C    
2008 O O    . SER   A 120 ? 0.08181550 0.01383552 0.08280310 0.00931399  0.00254991  -0.01940104 232 SER   A O    
2009 C CB   . SER   A 120 ? 0.09658918 0.01444137 0.09369943 0.01417400  -0.00494161 -0.02341175 232 SER   A CB   
2010 O OG   . SER   A 120 ? 0.11238115 0.01397052 0.10141882 0.00883308  -0.01251940 -0.02545705 232 SER   A OG   
2011 H H    . SER   A 120 ? 0.09285983 0.00848871 0.07398405 0.01017178  -0.00746560 -0.00889954 232 SER   A H    
2012 H HA   . SER   A 120 ? 0.09213039 0.01098748 0.08218229 0.00907311  -0.00506315 -0.01724443 232 SER   A HA   
2013 H HB2  . SER   A 120 ? 0.09836639 0.01335427 0.09320602 0.01160070  -0.00643077 -0.02273015 232 SER   A HB2  
2014 H HB3  . SER   A 120 ? 0.09736551 0.01325518 0.09271383 0.01176962  -0.00656224 -0.02238863 232 SER   A HB3  
2015 H HG   . SER   A 120 ? 0.07700409 0.07700409 0.07700409 0.00000000  0.00000000  0.00000000  232 SER   A HG   
2016 N N    . LYS   A 121 ? 0.08625329 0.01228345 0.08330552 0.00135683  -0.00133380 -0.02138031 233 LYS   A N    
2017 C CA   . LYS   A 121 ? 0.10034327 0.01358332 0.09307970 -0.00523397 -0.00566718 -0.02420639 233 LYS   A CA   
2018 C C    . LYS   A 121 ? 0.09346601 0.01311031 0.09000090 -0.00110324 -0.00651729 -0.02363696 233 LYS   A C    
2019 O O    . LYS   A 121 ? 0.09345000 0.03099735 0.10573183 0.00154332  -0.00681351 -0.03813532 233 LYS   A O    
2020 C CB   . LYS   A 121 ? 0.13338418 0.03828667 0.10512137 -0.01360128 0.00001118  -0.02196353 233 LYS   A CB   
2021 H H    . LYS   A 121 ? 0.08835116 0.01236182 0.08332123 0.00130761  -0.00246248 -0.02153653 233 LYS   A H    
2022 H HA   . LYS   A 121 ? 0.09912764 0.01332684 0.09127066 -0.00382627 -0.00390825 -0.02391272 233 LYS   A HA   
2023 H HB2  . LYS   A 121 ? 0.12499155 0.02532430 0.10060915 -0.01251243 0.00018641  -0.02439090 233 LYS   A HB2  
2024 H HB3  . LYS   A 121 ? 0.09559653 0.09559653 0.09559653 0.00000000  0.00000000  0.00000000  233 LYS   A HB3  
2025 N N    . LEU   A 122 ? 0.08729476 0.01290988 0.09603652 0.00482901  -0.00845995 -0.02413955 234 LEU   A N    
2026 C CA   . LEU   A 122 ? 0.09800877 0.01138885 0.09389604 0.00641002  -0.00391981 -0.02034209 234 LEU   A CA   
2027 C C    . LEU   A 122 ? 0.08917553 0.01019494 0.09498829 0.00499276  -0.00125546 -0.01784289 234 LEU   A C    
2028 O O    . LEU   A 122 ? 0.09263551 0.01196374 0.11655394 0.00341468  -0.00216599 -0.02284453 234 LEU   A O    
2029 C CB   . LEU   A 122 ? 0.11044580 0.00874351 0.09770562 0.00487641  -0.00427821 -0.01086591 234 LEU   A CB   
2030 C CG   . LEU   A 122 ? 0.13113001 0.03066572 0.09340280 0.01458350  0.00063427  -0.01253279 234 LEU   A CG   
2031 C CD1  . LEU   A 122 ? 0.14170562 0.05121282 0.08222187 0.02154151  0.01219253  -0.01349864 234 LEU   A CD1  
2032 C CD2  . LEU   A 122 ? 0.14738621 0.05832404 0.09791820 0.01777424  -0.00319495 -0.00894984 234 LEU   A CD2  
2033 H H    . LEU   A 122 ? 0.08905018 0.01250181 0.09411249 0.00413560  -0.00709920 -0.02315297 234 LEU   A H    
2034 H HA   . LEU   A 122 ? 0.09657601 0.01080469 0.09489721 0.00553310  -0.00397066 -0.01935631 234 LEU   A HA   
2035 H HB2  . LEU   A 122 ? 0.10944669 0.00883827 0.09577479 0.00627644  -0.00294896 -0.01395496 234 LEU   A HB2  
2036 H HB3  . LEU   A 122 ? 0.11041541 0.00913556 0.09600710 0.00701848  -0.00312180 -0.01448524 234 LEU   A HB3  
2037 H HG   . LEU   A 122 ? 0.12935877 0.03188712 0.09354145 0.01432474  0.00091654  -0.01184487 234 LEU   A HG   
2038 H HD11 . LEU   A 122 ? 0.13742188 0.04367233 0.08580376 0.01962961  0.00829241  -0.01329104 234 LEU   A HD11 
2039 H HD12 . LEU   A 122 ? 0.13789985 0.04407480 0.08590031 0.01966573  0.00851774  -0.01341055 234 LEU   A HD12 
2040 H HD13 . LEU   A 122 ? 0.13921174 0.04634649 0.08600913 0.02119502  0.00828706  -0.01359951 234 LEU   A HD13 
2041 H HD21 . LEU   A 122 ? 0.14398099 0.04978173 0.09695318 0.01655584  -0.00208976 -0.00972350 234 LEU   A HD21 
2042 H HD22 . LEU   A 122 ? 0.14338166 0.05234463 0.09727675 0.01862068  -0.00258748 -0.01022673 234 LEU   A HD22 
2043 H HD23 . LEU   A 122 ? 0.14250292 0.05168376 0.09875806 0.01634423  -0.00272955 -0.00777634 234 LEU   A HD23 
2044 N N    . GLY   A 123 ? 0.08402816 0.00923979 0.09145362 0.00294912  0.00337956  -0.01528352 235 GLY   A N    
2045 C CA   . GLY   A 123 ? 0.09521015 0.00945349 0.10068263 -0.00312988 0.00628299  -0.01703552 235 GLY   A CA   
2046 C C    . GLY   A 123 ? 0.08863080 0.01159432 0.10184933 -0.00156494 0.01074266  -0.02239443 235 GLY   A C    
2047 O O    . GLY   A 123 ? 0.08608551 0.03143330 0.12958851 -0.00524986 0.01782276  -0.05094796 235 GLY   A O    
2048 H H    . GLY   A 123 ? 0.08646428 0.00945722 0.09405032 0.00202337  0.00249086  -0.01634947 235 GLY   A H    
2049 H HA2  . GLY   A 123 ? 0.09256917 0.00983306 0.09900046 -0.00124543 0.00631604  -0.01801055 235 GLY   A HA2  
2050 H HA3  . GLY   A 123 ? 0.09131891 0.00985359 0.09904169 -0.00136425 0.00676586  -0.01806726 235 GLY   A HA3  
2051 N N    . ILE   A 124 ? 0.08325338 0.01081609 0.10628057 -0.00262695 0.01503899  -0.02115893 236 ILE   A N    
2052 C CA   . ILE   A 124 ? 0.08598839 0.01364171 0.11415373 -0.00551081 0.01253412  -0.02684632 236 ILE   A CA   
2053 C C    . ILE   A 124 ? 0.10077615 0.01231406 0.12027818 -0.00422464 0.01693549  -0.02610390 236 ILE   A C    
2054 O O    . ILE   A 124 ? 0.10532371 0.01618956 0.14634377 -0.00865193 0.02591928  -0.02293888 236 ILE   A O    
2055 C CB   . ILE   A 124 ? 0.09355336 0.02706952 0.12593523 -0.00600070 -0.00263270 -0.02367625 236 ILE   A CB   
2056 C CG1  . ILE   A 124 ? 0.11966521 0.03451892 0.14369418 -0.00103166 -0.00939391 -0.01140964 236 ILE   A CG1  
2057 C CG2  . ILE   A 124 ? 0.11012571 0.05816235 0.11791022 -0.00247323 -0.00661133 -0.02500879 236 ILE   A CG2  
2058 C CD1  . ILE   A 124 ? 0.13746482 0.05742009 0.17276126 -0.00256326 -0.01453767 0.00431794  236 ILE   A CD1  
2059 H H    . ILE   A 124 ? 0.08412354 0.01143245 0.10635653 -0.00304018 0.01415550  -0.02258485 236 ILE   A H    
2060 H HA   . ILE   A 124 ? 0.08759037 0.01405721 0.11518856 -0.00488431 0.01212092  -0.02518646 236 ILE   A HA   
2061 H HB   . ILE   A 124 ? 0.09671206 0.02970413 0.12426083 -0.00468785 -0.00046573 -0.02261244 236 ILE   A HB   
2062 H HG12 . ILE   A 124 ? 0.11596156 0.03592392 0.14304830 -0.00244897 -0.00932485 -0.01168304 236 ILE   A HG12 
2063 H HG13 . ILE   A 124 ? 0.11374822 0.03523156 0.14242293 -0.00254436 -0.00805973 -0.01158634 236 ILE   A HG13 
2064 H HG21 . ILE   A 124 ? 0.10541022 0.04906794 0.12130328 -0.00316478 -0.00558274 -0.02467927 236 ILE   A HG21 
2065 H HG22 . ILE   A 124 ? 0.10701674 0.04903731 0.12113433 -0.00308705 -0.00615227 -0.02488571 236 ILE   A HG22 
2066 H HG23 . ILE   A 124 ? 0.10565688 0.05411646 0.12119718 -0.00179556 -0.00567396 -0.02597982 236 ILE   A HG23 
2067 H HD11 . ILE   A 124 ? 0.13342920 0.05026261 0.16380322 -0.00135953 -0.01431637 -0.00086065 236 ILE   A HD11 
2068 H HD12 . ILE   A 124 ? 0.13148105 0.05442075 0.16305633 -0.00065934 -0.01311204 -0.00127357 236 ILE   A HD12 
2069 H HD13 . ILE   A 124 ? 0.13103205 0.05126354 0.16669068 -0.00133436 -0.01236597 0.00112779  236 ILE   A HD13 
2070 N N    . SER   A 125 ? 0.09932649 0.01015336 0.11749154 -0.00975624 0.02005887  -0.01939119 237 SER   A N    
2071 C CA   . SER   A 125 ? 0.11626085 0.00908528 0.11776946 -0.00601069 0.01751304  -0.01718604 237 SER   A CA   
2072 C C    . SER   A 125 ? 0.10645648 0.00874308 0.11399373 -0.00407269 0.01191906  -0.01592812 237 SER   A C    
2073 O O    . SER   A 125 ? 0.11438927 0.00978256 0.12075084 -0.00688587 0.01721478  -0.01943477 237 SER   A O    
2074 C CB   . SER   A 125 ? 0.14059757 0.01899401 0.12795763 0.00220562  0.01736330  -0.02316596 237 SER   A CB   
2075 O OG   . SER   A 125 ? 0.16493158 0.04822230 0.16483867 0.00155767  0.01797789  -0.01638194 237 SER   A OG   
2076 H H    . SER   A 125 ? 0.10085019 0.01020848 0.11735810 -0.00829345 0.01983013  -0.02008201 237 SER   A H    
2077 H HA   . SER   A 125 ? 0.11436713 0.00941148 0.11846884 -0.00512801 0.01684242  -0.01842086 237 SER   A HA   
2078 H HB2  . SER   A 125 ? 0.13596888 0.01984916 0.12976712 0.00024636  0.01733799  -0.02185900 237 SER   A HB2  
2079 H HB3  . SER   A 125 ? 0.13579248 0.01687670 0.12900637 0.00026818  0.01795960  -0.02167680 237 SER   A HB3  
2080 H HG   . SER   A 125 ? 0.12653749 0.12653749 0.12653749 0.00000000  0.00000000  0.00000000  237 SER   A HG   
2081 N N    . GLY   A 126 ? 0.11171135 0.00936607 0.11736172 -0.01123056 0.01654955  -0.01587552 238 GLY   A N    
2082 C CA   . GLY   A 126 ? 0.12100029 0.00804528 0.11535741 -0.00547615 0.00948056  -0.01298571 238 GLY   A CA   
2083 C C    . GLY   A 126 ? 0.11547486 0.00795766 0.10434917 -0.00170050 0.00830803  -0.00210133 238 GLY   A C    
2084 O O    . GLY   A 126 ? 0.11310337 0.02776755 0.10318555 -0.01120474 0.01014808  -0.01230704 238 GLY   A O    
2085 H H    . GLY   A 126 ? 0.11199073 0.00880833 0.11541331 -0.00824983 0.01466671  -0.01514735 238 GLY   A H    
2086 H HA2  . GLY   A 126 ? 0.11862171 0.00771418 0.11382552 -0.00592947 0.01057111  -0.01122547 238 GLY   A HA2  
2087 H HA3  . GLY   A 126 ? 0.11881752 0.00778397 0.11385699 -0.00546695 0.01015016  -0.01173620 238 GLY   A HA3  
2088 N N    . ASP   A 127 ? 0.11416362 0.01542452 0.10735085 0.00045363  0.01561429  -0.00800690 239 ASP   A N    
2089 C CA   . ASP   A 127 ? 0.12558652 0.01923350 0.09996905 0.00914076  0.00913473  -0.01230592 239 ASP   A CA   
2090 C C    . ASP   A 127 ? 0.11766007 0.03007173 0.08937076 0.00799417  0.00556649  -0.01000691 239 ASP   A C    
2091 O O    . ASP   A 127 ? 0.12196052 0.05063822 0.09997566 0.01687912  0.01234747  -0.00937652 239 ASP   A O    
2092 C CB   . ASP   A 127 ? 0.13271397 0.02547963 0.10781228 0.01699381  0.00824258  -0.00875634 239 ASP   A CB   
2093 C CG   . ASP   A 127 ? 0.14052947 0.03050606 0.12831664 0.02471872  0.00980560  -0.00183878 239 ASP   A CG   
2094 O OD1  . ASP   A 127 ? 0.16986546 0.10284811 0.16288856 0.03430796  0.02225008  0.04337858  239 ASP   A OD1  
2095 O OD2  . ASP   A 127 ? 0.13916433 0.01658785 0.13230163 0.01131054  0.00172639  0.00720706  239 ASP   A OD2  
2096 H H    . ASP   A 127 ? 0.11522648 0.01402675 0.10510183 0.00138039  0.01276299  -0.00749337 239 ASP   A H    
2097 H HA   . ASP   A 127 ? 0.12385757 0.02231507 0.10207064 0.00879345  0.00938959  -0.01020172 239 ASP   A HA   
2098 H HB2  . ASP   A 127 ? 0.13229197 0.02478378 0.10920906 0.01673338  0.00860900  -0.00834894 239 ASP   A HB2  
2099 H HB3  . ASP   A 127 ? 0.13200705 0.02463027 0.10902391 0.01654854  0.00868343  -0.00837366 239 ASP   A HB3  
2100 N N    . ILE   A 128 ? 0.12285775 0.04124757 0.07790384 0.01717769  0.00659470  -0.00481179 240 ILE   A N    
2101 C CA   . ILE   A 128 ? 0.11199119 0.03229511 0.08564278 0.01085157  0.00544545  -0.00348320 240 ILE   A CA   
2102 C C    . ILE   A 128 ? 0.11667796 0.03757565 0.08715848 0.00619140  0.01477437  -0.00133183 240 ILE   A C    
2103 O O    . ILE   A 128 ? 0.13651268 0.07217755 0.09221438 0.02230709  0.02380019  -0.00249831 240 ILE   A O    
2104 C CB   . ILE   A 128 ? 0.10646486 0.03386178 0.09987146 0.00909236  -0.00115995 -0.01289384 240 ILE   A CB   
2105 C CG1  . ILE   A 128 ? 0.12266022 0.05350428 0.11761073 0.00831713  0.00213987  -0.02515253 240 ILE   A CG1  
2106 C CG2  . ILE   A 128 ? 0.10731027 0.05376613 0.11619952 0.00370454  -0.00248981 -0.01445500 240 ILE   A CG2  
2107 C CD1  . ILE   A 128 ? 0.13909242 0.06469575 0.13318899 -0.00277292 0.00702973  -0.03048736 240 ILE   A CD1  
2108 H H    . ILE   A 128 ? 0.11873415 0.03574607 0.08055165 0.01333691  0.00702793  -0.00603166 240 ILE   A H    
2109 H HA   . ILE   A 128 ? 0.11380399 0.03497477 0.08721510 0.01078486  0.00639930  -0.00520543 240 ILE   A HA   
2110 H HB   . ILE   A 128 ? 0.10952110 0.03930301 0.10095970 0.00903340  -0.00042812 -0.01222892 240 ILE   A HB   
2111 H HG12 . ILE   A 128 ? 0.12151888 0.05007220 0.11598168 0.00612992  0.00272336  -0.02320307 240 ILE   A HG12 
2112 H HG13 . ILE   A 128 ? 0.12205774 0.04991544 0.11522298 0.00652377  0.00228491  -0.02268920 240 ILE   A HG13 
2113 H HG21 . ILE   A 128 ? 0.10790271 0.05063645 0.11177786 0.00629075  -0.00198318 -0.01436718 240 ILE   A HG21 
2114 H HG22 . ILE   A 128 ? 0.10816838 0.04839233 0.11245953 0.00527206  -0.00124371 -0.01459919 240 ILE   A HG22 
2115 H HG23 . ILE   A 128 ? 0.10747349 0.04876841 0.11342086 0.00536092  -0.00225299 -0.01284132 240 ILE   A HG23 
2116 H HD11 . ILE   A 128 ? 0.13499254 0.06173806 0.13058123 -0.00001089 0.00670845  -0.02975389 240 ILE   A HD11 
2117 H HD12 . ILE   A 128 ? 0.13416588 0.06148409 0.13016243 0.00040668  0.00507435  -0.02812388 240 ILE   A HD12 
2118 H HD13 . ILE   A 128 ? 0.13543580 0.06113466 0.12874648 0.00088924  0.00526552  -0.02867606 240 ILE   A HD13 
2119 N N    . ASP   A 129 ? 0.11399412 0.02770018 0.09473711 0.00337924  0.01198934  -0.00560843 241 ASP   A N    
2120 C CA   . ASP   A 129 ? 0.11820415 0.03223520 0.10836250 -0.00751903 0.01901544  -0.00566425 241 ASP   A CA   
2121 C C    . ASP   A 129 ? 0.11488090 0.02911581 0.10633932 -0.00075879 0.02895681  -0.00451686 241 ASP   A C    
2122 O O    . ASP   A 129 ? 0.18999147 0.02771398 0.11826491 0.01034605  0.05479734  0.00141734  241 ASP   A O    
2123 C CB   . ASP   A 129 ? 0.14541601 0.08127540 0.14726955 -0.01123617 0.00067037  -0.01550828 241 ASP   A CB   
2124 C CG   . ASP   A 129 ? 0.22631028 0.12324484 0.22937803 -0.03180073 -0.00209457 -0.01324749 241 ASP   A CG   
2125 O OD1  . ASP   A 129 ? 0.32163176 0.22196242 0.30170611 -0.08998703 -0.02705148 0.03303344  241 ASP   A OD1  
2126 O OD2  . ASP   A 129 ? 0.33642203 0.24036445 0.28283954 -0.01851006 -0.00903205 -0.04567774 241 ASP   A OD2  
2127 H H    . ASP   A 129 ? 0.11565119 0.03130518 0.09580750 0.00180573  0.01405777  -0.00476864 241 ASP   A H    
2128 H HA   . ASP   A 129 ? 0.11990017 0.03660041 0.10800691 -0.00448961 0.01804451  -0.00627197 241 ASP   A HA   
2129 H HB2  . ASP   A 129 ? 0.14609581 0.06838534 0.14593446 -0.01230225 0.00442111  -0.01274237 241 ASP   A HB2  
2130 H HB3  . ASP   A 129 ? 0.14547034 0.06840415 0.14292887 -0.01314838 0.00605555  -0.01207523 241 ASP   A HB3  
2131 N N    . LEU   A 130 ? 0.10692759 0.02757484 0.10082817 -0.00012260 0.02132085  -0.00833369 242 LEU   A N    
2132 C CA   . LEU   A 130 ? 0.10132853 0.02925236 0.09795490 -0.00525659 0.01647855  -0.01816060 242 LEU   A CA   
2133 C C    . LEU   A 130 ? 0.09684053 0.04009870 0.10431275 -0.00634544 0.01810789  -0.01589250 242 LEU   A C    
2134 O O    . LEU   A 130 ? 0.10355528 0.07242286 0.11546034 -0.00739247 0.02401420  0.00300102  242 LEU   A O    
2135 C CB   . LEU   A 130 ? 0.09865585 0.05070841 0.10049057 -0.00198458 0.01663085  -0.02608516 242 LEU   A CB   
2136 C CG   . LEU   A 130 ? 0.09934004 0.05127887 0.10625114 -0.00132394 0.01125555  -0.03129111 242 LEU   A CG   
2137 C CD1  . LEU   A 130 ? 0.10621392 0.05085013 0.11203754 -0.01367325 -0.00086892 -0.02099300 242 LEU   A CD1  
2138 C CD2  . LEU   A 130 ? 0.11563665 0.06478164 0.11620992 -0.01328097 0.01091306  -0.03559676 242 LEU   A CD2  
2139 H H    . LEU   A 130 ? 0.10703433 0.02858429 0.10095680 -0.00161739 0.02194082  -0.00976504 242 LEU   A H    
2140 H HA   . LEU   A 130 ? 0.10130823 0.03457670 0.10018052 -0.00392940 0.01776439  -0.01708326 242 LEU   A HA   
2141 H HB2  . LEU   A 130 ? 0.09972592 0.04558465 0.10115315 -0.00282044 0.01558593  -0.02531090 242 LEU   A HB2  
2142 H HB3  . LEU   A 130 ? 0.09933595 0.04539497 0.10099999 -0.00274858 0.01568482  -0.02511841 242 LEU   A HB3  
2143 H HG   . LEU   A 130 ? 0.10135310 0.05274231 0.10792238 -0.00434445 0.00971041  -0.02860881 242 LEU   A HG   
2144 H HD11 . LEU   A 130 ? 0.10445592 0.05054978 0.11045500 -0.00991045 0.00325818  -0.02394386 242 LEU   A HD11 
2145 H HD12 . LEU   A 130 ? 0.10445537 0.05110404 0.11039218 -0.00999130 0.00301821  -0.02414220 242 LEU   A HD12 
2146 H HD13 . LEU   A 130 ? 0.10510574 0.05119762 0.11042143 -0.01040008 0.00315680  -0.02421463 242 LEU   A HD13 
2147 H HD21 . LEU   A 130 ? 0.11200654 0.06133520 0.11372776 -0.00912981 0.01060236  -0.03444032 242 LEU   A HD21 
2148 H HD22 . LEU   A 130 ? 0.11306866 0.06184217 0.11345904 -0.01069367 0.01179382  -0.03470124 242 LEU   A HD22 
2149 H HD23 . LEU   A 130 ? 0.11116092 0.06279803 0.11321266 -0.00929427 0.01108324  -0.03403201 242 LEU   A HD23 
2150 N N    . THR   A 131 ? 0.09996473 0.02692563 0.09987296 -0.00578516 0.01392717  -0.01649240 243 THR   A N    
2151 C CA   . THR   A 131 ? 0.11904979 0.04295945 0.11996660 -0.01226063 -0.00061300 -0.01787254 243 THR   A CA   
2152 C C    . THR   A 131 ? 0.10492880 0.04007661 0.14044003 -0.00296470 -0.00281554 -0.01786574 243 THR   A C    
2153 O O    . THR   A 131 ? 0.11614884 0.07180104 0.20687570 0.00567403  -0.00302974 -0.04906571 243 THR   A O    
2154 C CB   . THR   A 131 ? 0.15287983 0.06498016 0.11748515 -0.00590232 -0.00736133 -0.02304093 243 THR   A CB   
2155 O OG1  . THR   A 131 ? 0.20816760 0.08210073 0.13952631 -0.01129218 0.00490411  -0.04698092 243 THR   A OG1  
2156 C CG2  . THR   A 131 ? 0.17838983 0.13219973 0.14029242 -0.00446825 -0.01973934 -0.01002603 243 THR   A CG2  
2157 H H    . THR   A 131 ? 0.10113510 0.03310256 0.10463811 -0.00737904 0.01283075  -0.01660074 243 THR   A H    
2158 H HA   . THR   A 131 ? 0.11615695 0.04169123 0.11838049 -0.00819161 0.00170575  -0.01826641 243 THR   A HA   
2159 H HB   . THR   A 131 ? 0.15454374 0.06905630 0.12364157 -0.00795793 -0.00532193 -0.02359883 243 THR   A HB   
2160 H HG1  . THR   A 131 ? 0.14416738 0.14416738 0.14416738 0.00000000  0.00000000  0.00000000  243 THR   A HG1  
2161 H HG21 . THR   A 131 ? 0.16923799 0.10901570 0.13741104 -0.00431840 -0.01635760 -0.01318938 243 THR   A HG21 
2162 H HG22 . THR   A 131 ? 0.17310849 0.10965141 0.13311146 -0.00260759 -0.01676418 -0.01401979 243 THR   A HG22 
2163 H HG23 . THR   A 131 ? 0.16870110 0.12160206 0.13383552 -0.00363857 -0.01546323 -0.00993131 243 THR   A HG23 
2164 N N    . SER   A 132 ? 0.10465864 0.01957583 0.13670434 0.00720410  -0.01032459 -0.02827404 244 SER   A N    
2165 C CA   . SER   A 132 ? 0.12206693 0.01777192 0.18225700 0.00788935  -0.00937625 -0.02935566 244 SER   A CA   
2166 C C    . SER   A 132 ? 0.11541397 0.01420816 0.12689334 0.00696829  0.00313548  -0.02703619 244 SER   A C    
2167 O O    . SER   A 132 ? 0.11281709 0.01869050 0.11604116 0.00562374  0.00591619  -0.03157244 244 SER   A O    
2168 C CB   . SER   A 132 ? 0.18006484 0.00814007 0.24486551 0.00574059  -0.05920850 -0.02075141 244 SER   A CB   
2169 O OG   . SER   A 132 ? 0.32146692 0.18229726 0.26983109 -0.00355858 -0.01572020 -0.01140756 244 SER   A OG   
2170 H H    . SER   A 132 ? 0.10522470 0.02340053 0.14441724 0.00588400  -0.00751206 -0.02604771 244 SER   A H    
2171 H HA   . SER   A 132 ? 0.12376286 0.01489021 0.16633950 0.00706679  -0.01326530 -0.02784018 244 SER   A HA   
2172 H HB2  . SER   A 132 ? 0.16873474 0.00924201 0.22458236 0.00775401  -0.03818917 -0.02487494 244 SER   A HB2  
2173 H HB3  . SER   A 132 ? 0.16740814 0.01192076 0.22281224 0.00372187  -0.04076916 -0.02491656 244 SER   A HB3  
2174 H HG   . SER   A 132 ? 0.22460371 0.22460371 0.22460371 0.00000000  0.00000000  0.00000000  244 SER   A HG   
2175 N N    . ALA   A 133 ? 0.11136436 0.01249454 0.12532002 0.00431311  0.00840437  -0.02626490 245 ALA   A N    
2176 C CA   . ALA   A 133 ? 0.12413307 0.01700193 0.12647095 0.00138434  0.01378431  -0.03537193 245 ALA   A CA   
2177 C C    . ALA   A 133 ? 0.11523040 0.01915812 0.13439210 0.00292742  0.01685399  -0.03953571 245 ALA   A C    
2178 O O    . ALA   A 133 ? 0.12380648 0.03091237 0.17102911 -0.00151662 0.04021701  -0.04005822 245 ALA   A O    
2179 C CB   . ALA   A 133 ? 0.14933714 0.03350561 0.13882697 -0.00026122 -0.00191088 -0.02524581 245 ALA   A CB   
2180 H H    . ALA   A 133 ? 0.11370827 0.01362254 0.12636453 0.00484304  0.00860465  -0.02866237 245 ALA   A H    
2181 H HA   . ALA   A 133 ? 0.12188788 0.01729368 0.12884507 0.00221196  0.01179118  -0.03308841 245 ALA   A HA   
2182 H HB1  . ALA   A 133 ? 0.14174303 0.03405911 0.13525641 -0.00073428 0.00269377  -0.02755392 245 ALA   A HB1  
2183 H HB2  . ALA   A 133 ? 0.14387608 0.02896157 0.13714126 -0.00021044 0.00087714  -0.02807583 245 ALA   A HB2  
2184 H HB3  . ALA   A 133 ? 0.14315698 0.02925822 0.13543767 0.00084895  0.00329074  -0.02808753 245 ALA   A HB3  
2185 N N    . SER   A 134 ? 0.10769407 0.01309457 0.14142923 0.00654282  0.00956154  -0.02855036 246 SER   A N    
2186 C CA   . SER   A 134 ? 0.11061469 0.01605542 0.16042644 0.01186716  0.01131325  -0.03448761 246 SER   A CA   
2187 C C    . SER   A 134 ? 0.10047526 0.01554632 0.14973651 0.00861341  0.01202764  -0.03347301 246 SER   A C    
2188 O O    . SER   A 134 ? 0.10423860 0.01632892 0.15764259 0.00337329  0.02260765  -0.03126673 246 SER   A O    
2189 C CB   . SER   A 134 ? 0.14693858 0.03723292 0.18926665 0.01562931  -0.00816961 -0.03683136 246 SER   A CB   
2190 O OG   . SER   A 134 ? 0.18874054 0.09431624 0.20573020 0.01734451  -0.02846485 -0.02666556 246 SER   A OG   
2191 H H    . SER   A 134 ? 0.11025777 0.01483392 0.14338484 0.00676557  0.01158087  -0.03232719 246 SER   A H    
2192 H HA   . SER   A 134 ? 0.11229654 0.01556814 0.15697102 0.01080967  0.00865954  -0.03403595 246 SER   A HA   
2193 H HB2  . SER   A 134 ? 0.14090174 0.03702837 0.18136075 0.01469319  -0.00588434 -0.03505458 246 SER   A HB2  
2194 H HB3  . SER   A 134 ? 0.14256503 0.03672870 0.18146208 0.01655784  -0.00619443 -0.03547809 246 SER   A HB3  
2195 H HG   . SER   A 134 ? 0.16449493 0.16449493 0.16449493 0.00000000  0.00000000  0.00000000  246 SER   A HG   
2196 N N    . TYR   A 135 ? 0.10407247 0.01780437 0.14955437 0.00631593  0.00714730  -0.03927189 247 TYR   A N    
2197 C CA   . TYR   A 135 ? 0.10957347 0.01079962 0.15848517 0.01104054  0.00093038  -0.02226117 247 TYR   A CA   
2198 C C    . TYR   A 135 ? 0.09619007 0.01985540 0.16621156 0.01809408  -0.00459714 -0.01865669 247 TYR   A C    
2199 O O    . TYR   A 135 ? 0.09338310 0.02792708 0.19431362 0.01770795  -0.00320329 -0.02161907 247 TYR   A O    
2200 C CB   . TYR   A 135 ? 0.11822623 0.01103940 0.15813796 0.01480511  -0.00832374 -0.00470993 247 TYR   A CB   
2201 C CG   . TYR   A 135 ? 0.12970546 0.01087064 0.13666883 0.02080859  -0.02365283 -0.01536355 247 TYR   A CG   
2202 C CD1  . TYR   A 135 ? 0.15619585 0.01184713 0.14489889 0.02642118  -0.01466917 -0.01342330 247 TYR   A CD1  
2203 C CD2  . TYR   A 135 ? 0.14320554 0.01999890 0.13650587 0.03102755  -0.02665549 -0.01280144 247 TYR   A CD2  
2204 C CE1  . TYR   A 135 ? 0.15439011 0.02221484 0.13417855 0.03229477  -0.01698717 -0.01909069 247 TYR   A CE1  
2205 C CE2  . TYR   A 135 ? 0.15225977 0.03887108 0.12573561 0.02934705  -0.02425817 -0.00408914 247 TYR   A CE2  
2206 C CZ   . TYR   A 135 ? 0.15130766 0.04230430 0.12672541 0.02896105  -0.01291337 -0.01606885 247 TYR   A CZ   
2207 O OH   . TYR   A 135 ? 0.17552617 0.06036309 0.12663583 0.02693950  -0.00429957 -0.01040476 247 TYR   A OH   
2208 H H    . TYR   A 135 ? 0.10415218 0.01550156 0.15163170 0.00825395  0.00696995  -0.03443813 247 TYR   A H    
2209 H HA   . TYR   A 135 ? 0.10731861 0.01112879 0.15764911 0.01221350  -0.00034785 -0.02245243 247 TYR   A HA   
2210 H HB2  . TYR   A 135 ? 0.11865453 0.00905724 0.15277250 0.01512669  -0.00972227 -0.01131422 247 TYR   A HB2  
2211 H HB3  . TYR   A 135 ? 0.11922872 0.00920231 0.15256391 0.01568985  -0.00994948 -0.01139168 247 TYR   A HB3  
2212 H HD1  . TYR   A 135 ? 0.14781561 0.01226614 0.13977422 0.02641880  -0.01730137 -0.01469284 247 TYR   A HD1  
2213 H HD2  . TYR   A 135 ? 0.14065674 0.01854730 0.13464794 0.02891029  -0.02486707 -0.01179509 247 TYR   A HD2  
2214 H HE1  . TYR   A 135 ? 0.15323904 0.02131728 0.13497612 0.03118863  -0.01555702 -0.01713520 247 TYR   A HE1  
2215 H HE2  . TYR   A 135 ? 0.14908038 0.03305296 0.12753311 0.02922009  -0.02177135 -0.00799463 247 TYR   A HE2  
2216 H HH   . TYR   A 135 ? 0.12200337 0.12200337 0.12200337 0.00000000  0.00000000  0.00000000  247 TYR   A HH   
2217 N N    . THR   A 136 ? 0.09962709 0.01013110 0.16965277 0.01814127  -0.01449655 -0.00942447 248 THR   A N    
2218 C CA   . THR   A 136 ? 0.11314723 0.01522049 0.17996642 0.02910849  -0.02095721 -0.00040781 248 THR   A CA   
2219 C C    . THR   A 136 ? 0.11121150 0.01581778 0.17093214 0.01722440  -0.02220443 0.00351164  248 THR   A C    
2220 O O    . THR   A 136 ? 0.11528391 0.01480688 0.20835322 0.01927555  -0.01812456 0.00480263  248 THR   A O    
2221 C CB   . THR   A 136 ? 0.14969575 0.05941718 0.20189387 0.01407204  -0.04681842 -0.00426263 248 THR   A CB   
2222 O OG1  . THR   A 136 ? 0.21120788 0.08681285 0.23461787 0.03476496  -0.06702650 0.00614384  248 THR   A OG1  
2223 C CG2  . THR   A 136 ? 0.18714717 0.07532515 0.18980242 0.01521329  -0.04626623 -0.00335446 248 THR   A CG2  
2224 H H    . THR   A 136 ? 0.10063560 0.01126200 0.17051500 0.02088891  -0.01331030 -0.00995332 248 THR   A H    
2225 H HA   . THR   A 136 ? 0.11261296 0.01805239 0.17763507 0.02343889  -0.02201612 -0.00319683 248 THR   A HA   
2226 H HB   . THR   A 136 ? 0.15124731 0.05206589 0.19806615 0.01912472  -0.04316873 -0.00167295 248 THR   A HB   
2227 H HG1  . THR   A 136 ? 0.17913584 0.17913584 0.17913584 0.00000000  0.00000000  0.00000000  248 THR   A HG1  
2228 H HG21 . THR   A 136 ? 0.17524838 0.07115953 0.19346957 0.01518808  -0.04642567 -0.00409847 248 THR   A HG21 
2229 H HG22 . THR   A 136 ? 0.17714791 0.07266607 0.19363418 0.01732145  -0.04640608 -0.00425279 248 THR   A HG22 
2230 H HG23 . THR   A 136 ? 0.17523655 0.07311959 0.19400780 0.01420180  -0.04560634 -0.00520852 248 THR   A HG23 
2231 N N    . MET   A 137 ? 0.11648324 0.02326266 0.17976755 0.01912290  -0.03298007 0.01966134  249 MET   A N    
2232 C CA   . MET   A 137 ? 0.14405552 0.03001767 0.18315881 0.01338290  -0.03211603 0.03080378  249 MET   A CA   
2233 C C    . MET   A 137 ? 0.16725859 0.08087771 0.17963423 0.01579542  -0.02735447 0.06224945  249 MET   A C    
2234 O O    . MET   A 137 ? 0.17195395 0.18221098 0.19229439 0.02807469  -0.03269880 0.09475256  249 MET   A O    
2235 C CB   . MET   A 137 ? 0.15954490 0.03778116 0.20562039 0.01138011  -0.03336011 0.01868953  249 MET   A CB   
2236 C CG   . MET   A 137 ? 0.19013673 0.03320392 0.21060643 0.02102011  -0.02342838 -0.01079231 249 MET   A CG   
2237 S SD   . MET   A 137 ? 0.21756159 0.08713408 0.18446255 0.05767739  -0.04264044 -0.03417199 249 MET   A SD   
2238 C CE   . MET   A 137 ? 0.20787480 0.13378453 0.19845253 0.04381332  -0.02380688 0.00797788  249 MET   A CE   
2239 H H    . MET   A 137 ? 0.11719773 0.02183412 0.17792732 0.01879036  -0.03027007 0.01775870  249 MET   A H    
2240 H HA   . MET   A 137 ? 0.14253417 0.03653068 0.18494317 0.01464617  -0.03154920 0.03098739  249 MET   A HA   
2241 H HB2  . MET   A 137 ? 0.16137011 0.03465279 0.20075725 0.01394722  -0.03108040 0.01569496  249 MET   A HB2  
2242 H HB3  . MET   A 137 ? 0.16067269 0.03438893 0.20081548 0.01324938  -0.03083637 0.01568951  249 MET   A HB3  
2243 H HG2  . MET   A 137 ? 0.18460748 0.04075866 0.20472774 0.02414566  -0.02891722 -0.00735424 249 MET   A HG2  
2244 H HG3  . MET   A 137 ? 0.18583059 0.03552783 0.20397270 0.02572975  -0.02864974 -0.00990540 249 MET   A HG3  
2245 H HE1  . MET   A 137 ? 0.21156171 0.12297824 0.19524845 0.04628957  -0.02815867 -0.00282549 249 MET   A HE1  
2246 H HE2  . MET   A 137 ? 0.21025655 0.12248135 0.19466987 0.04627157  -0.02874025 -0.00243590 249 MET   A HE2  
2247 H HE3  . MET   A 137 ? 0.21125892 0.13237701 0.19545412 0.04491028  -0.02926429 0.00030838  249 MET   A HE3  
2248 N N    . ILE   A 138 ? 0.16851985 0.08812383 0.17113194 -0.00186176 -0.02459440 0.05649011  250 ILE   A N    
2249 C CA   . ILE   A 138 ? 0.20810160 0.13367289 0.17625266 -0.01217388 -0.02543274 0.07171099  250 ILE   A CA   
2250 C C    . ILE   A 138 ? 0.26448229 0.14256056 0.21612789 -0.01557060 -0.02129757 0.08803600  250 ILE   A C    
2251 O O    . ILE   A 138 ? 0.25594333 0.19838895 0.24418941 -0.03640423 -0.00291588 0.10344180  250 ILE   A O    
2252 C CB   . ILE   A 138 ? 0.25888366 0.12845172 0.15653765 -0.00777906 -0.01911377 0.04467787  250 ILE   A CB   
2253 C CG1  . ILE   A 138 ? 0.25368741 0.16257769 0.15058343 -0.00697860 -0.02298296 0.04295958  250 ILE   A CG1  
2254 C CG2  . ILE   A 138 ? 0.31047586 0.14093095 0.18239339 -0.01704546 0.00973463  0.03351770  250 ILE   A CG2  
2255 C CD1  . ILE   A 138 ? 0.28380734 0.18899135 0.17591079 -0.00923713 -0.01012174 0.04595457  250 ILE   A CD1  
2256 O OXT  . ILE   A 138 ? 0.34262469 0.17490183 0.32274053 -0.04530411 -0.03650996 0.05317280  250 ILE   A OXT  
2257 H H    . ILE   A 138 ? 0.17452449 0.09345278 0.17359138 0.00098407  -0.02608203 0.06035192  250 ILE   A H    
2258 H HA   . ILE   A 138 ? 0.21141115 0.12175785 0.17591408 -0.00944359 -0.02458569 0.06585477  250 ILE   A HA   
2259 H HB   . ILE   A 138 ? 0.25529143 0.13768196 0.15999487 -0.01013393 -0.01596659 0.04874261  250 ILE   A HB   
2260 H HG12 . ILE   A 138 ? 0.25790554 0.15734755 0.15368254 -0.00755154 -0.01946091 0.04502409  250 ILE   A HG12 
2261 H HG13 . ILE   A 138 ? 0.25994673 0.16105351 0.15700100 -0.00760185 -0.01951698 0.04471785  250 ILE   A HG13 
2262 H HG21 . ILE   A 138 ? 0.29541451 0.13810655 0.17552149 -0.01503613 -0.00004455 0.03803780  250 ILE   A HG21 
2263 H HG22 . ILE   A 138 ? 0.29317087 0.13674004 0.17922996 -0.01374905 0.00024782  0.03667746  250 ILE   A HG22 
2264 H HG23 . ILE   A 138 ? 0.29930955 0.13722318 0.17667140 -0.01264656 0.00369803  0.03806427  250 ILE   A HG23 
2265 H HD11 . ILE   A 138 ? 0.27435273 0.18188575 0.17248684 -0.00801611 -0.01376921 0.04340572  250 ILE   A HD11 
2266 H HD12 . ILE   A 138 ? 0.27766097 0.18182264 0.16981594 -0.00681480 -0.01164117 0.04555003  250 ILE   A HD12 
2267 H HD13 . ILE   A 138 ? 0.27445456 0.18560018 0.16867150 -0.00796937 -0.01357240 0.04481462  250 ILE   A HD13 
2268 N N1   A A1H5A B .   ? 0.18365246 0.08757926 0.14458221 0.00452752  -0.04851857 0.04503351  301 A1H5A A N1   
2269 N N1   B A1H5A B .   ? 0.17356665 0.01992961 0.13200498 0.00946572  -0.03451757 0.03739574  301 A1H5A A N1   
2270 N N3   A A1H5A B .   ? 0.19120605 0.15515679 0.16878366 0.00701390  -0.05446874 0.05422214  301 A1H5A A N3   
2271 N N3   B A1H5A B .   ? 0.17071977 0.03813619 0.13071983 0.00746626  -0.03762420 0.04940644  301 A1H5A A N3   
2272 C C4   A A1H5A B .   ? 0.18653564 0.09322520 0.17191708 0.01320616  -0.03559392 0.00663071  301 A1H5A A C4   
2273 C C4   B A1H5A B .   ? 0.17991847 0.02212149 0.16518062 0.02052442  -0.02771465 0.02617329  301 A1H5A A C4   
2274 C C5   A A1H5A B .   ? 0.17331856 0.08204417 0.13600133 0.00353727  -0.03579796 0.04943652  301 A1H5A A C5   
2275 C C5   B A1H5A B .   ? 0.16233230 0.02953168 0.11544882 0.00646898  -0.02867857 0.03946288  301 A1H5A A C5   
2276 C C6   A A1H5A B .   ? 0.16447970 0.06008218 0.11677532 -0.00621680 -0.02776516 0.03281235  301 A1H5A A C6   
2277 C C6   B A1H5A B .   ? 0.16012858 0.03490750 0.11087496 -0.00131631 -0.02368142 0.03092386  301 A1H5A A C6   
2278 C C7   . A1H5A B .   ? 0.15701374 0.03201354 0.10657723 -0.00462597 -0.01671015 0.02739143  301 A1H5A A C7   
2279 C C8   . A1H5A B .   ? 0.15839408 0.03099418 0.10801442 -0.00158372 -0.01808843 0.03062794  301 A1H5A A C8   
2280 C C10  . A1H5A B .   ? 0.15081273 0.05786502 0.09590504 -0.00888268 -0.00085735 -0.00318753 301 A1H5A A C10  
2281 C C13  . A1H5A B .   ? 0.17215616 0.12692042 0.13772172 -0.02018157 0.01109197  -0.01979497 301 A1H5A A C13  
2282 C C15  . A1H5A B .   ? 0.17832687 0.02275858 0.10961306 0.00274746  -0.00426075 -0.01023426 301 A1H5A A C15  
2283 C C17  . A1H5A B .   ? 0.14480154 0.02922270 0.09756523 -0.00824771 -0.00574430 0.00560036  301 A1H5A A C17  
2284 C C20  . A1H5A B .   ? 0.13090220 0.00675101 0.09575863 0.00439203  -0.00926007 -0.00516261 301 A1H5A A C20  
2285 C C21  . A1H5A B .   ? 0.14105190 0.01235459 0.07984988 -0.00165799 -0.01622632 0.00018808  301 A1H5A A C21  
2286 C C22  A A1H5A B .   ? 0.17319825 0.08075026 0.13338688 -0.00516013 -0.04560468 0.04752590  301 A1H5A A C22  
2287 C C22  B A1H5A B .   ? 0.16338238 0.02287850 0.11225644 0.00486619  -0.03207513 0.03004256  301 A1H5A A C22  
2288 C C1   A A1H5A B .   ? 0.20543614 0.09610078 0.20329821 -0.00212182 -0.04243773 -0.00492380 301 A1H5A A C1   
2289 C C1   B A1H5A B .   ? 0.18828754 0.01588735 0.18969929 0.01785138  -0.02992333 0.02112380  301 A1H5A A C1   
2290 C C2   A A1H5A B .   ? 0.17999932 0.10271487 0.16341656 0.00854477  -0.04859877 0.01979414  301 A1H5A A C2   
2291 C C2   B A1H5A B .   ? 0.17711394 0.02490733 0.16151518 0.01475183  -0.03308501 0.03073500  301 A1H5A A C2   
2292 C C3   A A1H5A B .   ? 0.19327933 0.12665434 0.18243638 0.02110368  -0.05461695 0.04317696  301 A1H5A A C3   
2293 C C3   B A1H5A B .   ? 0.18852913 0.04541379 0.16655073 0.00982758  -0.03650507 0.04071922  301 A1H5A A C3   
2294 N N2   A A1H5A B .   ? 0.19569562 0.15797126 0.15421392 -0.00510595 -0.04843782 0.04852176  301 A1H5A A N2   
2295 N N2   B A1H5A B .   ? 0.16621354 0.03224584 0.13410054 0.01393322  -0.03990407 0.05046456  301 A1H5A A N2   
2296 C C9   . A1H5A B .   ? 0.14780052 0.03435408 0.08433733 -0.00431905 -0.01494169 0.01442065  301 A1H5A A C9   
2297 N N4   . A1H5A B .   ? 0.14597581 0.05048248 0.09663224 -0.00708579 -0.00743636 0.00678591  301 A1H5A A N4   
2298 N N5   . A1H5A B .   ? 0.15722689 0.10181762 0.09882661 -0.01001187 -0.00454632 -0.00668087 301 A1H5A A N5   
2299 N N6   . A1H5A B .   ? 0.14988518 0.13023712 0.10173948 -0.00703437 0.00448235  -0.01880871 301 A1H5A A N6   
2300 C C11  . A1H5A B .   ? 0.15580472 0.05806173 0.10147320 -0.00590757 0.00086099  0.00015750  301 A1H5A A C11  
2301 C C12  . A1H5A B .   ? 0.17488535 0.11261351 0.11056260 -0.01079690 0.00993719  -0.01526747 301 A1H5A A C12  
2302 F F1   . A1H5A B .   ? 0.17602368 0.22974885 0.17548791 -0.03440884 0.02548676  -0.01856551 301 A1H5A A F1   
2303 C C14  . A1H5A B .   ? 0.16610494 0.01901292 0.09734662 0.00466969  -0.00683950 -0.00281358 301 A1H5A A C14  
2304 F F2   . A1H5A B .   ? 0.19377515 0.04137359 0.10892476 -0.00236836 -0.02039911 -0.01026465 301 A1H5A A F2   
2305 C C16  . A1H5A B .   ? 0.17672017 0.06563023 0.12964529 0.00152142  -0.00856005 -0.01848040 301 A1H5A A C16  
2306 F F3   . A1H5A B .   ? 0.27104434 0.17487252 0.23972106 0.00413512  -0.02304684 -0.02547581 301 A1H5A A F3   
2307 O O1   . A1H5A B .   ? 0.18498634 0.05352309 0.15076596 -0.02251115 -0.02323902 0.05469840  301 A1H5A A O1   
2308 C C18  A A1H5A B .   ? 0.20192114 0.05577856 0.20106518 -0.02332317 -0.00139960 0.05891219  301 A1H5A A C18  
2309 C C18  B A1H5A B .   ? 0.19258732 0.05714265 0.17260319 -0.02001891 -0.01006944 0.05166031  301 A1H5A A C18  
2310 O O2   . A1H5A B .   ? 0.13990857 0.01047322 0.08531550 0.00798383  -0.00982136 0.00958723  301 A1H5A A O2   
2311 C C19  . A1H5A B .   ? 0.13627797 0.00850665 0.08152094 0.00518595  -0.00896504 -0.00261397 301 A1H5A A C19  
2312 O O3   . A1H5A B .   ? 0.13067114 0.00797302 0.10933518 -0.00077238 -0.01293837 -0.00094739 301 A1H5A A O3   
2313 O O4   . A1H5A B .   ? 0.14084153 0.00794199 0.07370014 0.01061991  -0.01367819 -0.00247190 301 A1H5A A O4   
2314 H H8   A A1H5A B .   ? 0.18418610 0.09565737 0.16994733 0.01238387  -0.03903550 0.01086820  301 A1H5A A H8   
2315 H H8   B A1H5A B .   ? 0.17837627 0.02321827 0.16352409 0.01903632  -0.02891576 0.02730150  301 A1H5A A H8   
2316 H H9   A A1H5A B .   ? 0.18380527 0.09454824 0.16967362 0.01188599  -0.03911772 0.00988536  301 A1H5A A H9   
2317 H H9   B A1H5A B .   ? 0.17835480 0.02299530 0.16351369 0.01889969  -0.02914517 0.02694873  301 A1H5A A H9   
2318 H H7   A A1H5A B .   ? 0.18443131 0.09544226 0.16926625 0.01183677  -0.03922922 0.01074472  301 A1H5A A H7   
2319 H H7   B A1H5A B .   ? 0.17932770 0.02299890 0.16391511 0.01886862  -0.02904189 0.02730504  301 A1H5A A H7   
2320 H H10  A A1H5A B .   ? 0.16422737 0.05850608 0.11805981 -0.00360221 -0.02693428 0.03342473  301 A1H5A A H10  
2321 H H10  B A1H5A B .   ? 0.16007926 0.03429574 0.11134797 -0.00013093 -0.02344515 0.03143658  301 A1H5A A H10  
2322 H H11  A A1H5A B .   ? 0.16417199 0.05691889 0.11672486 -0.00461248 -0.02664065 0.03415732  301 A1H5A A H11  
2323 H H11  B A1H5A B .   ? 0.15981171 0.03382040 0.11058148 -0.00061748 -0.02312247 0.03161028  301 A1H5A A H11  
2324 H H12  . A1H5A B .   ? 0.15531164 0.03242738 0.10453547 -0.00239530 -0.01819686 0.02638384  301 A1H5A A H12  
2325 H H13  . A1H5A B .   ? 0.15909036 0.03460869 0.10807125 -0.00579793 -0.01771447 0.03027876  301 A1H5A A H13  
2326 H H17  . A1H5A B .   ? 0.14691500 0.03926205 0.09738057 -0.00782476 -0.00523463 0.00416697  301 A1H5A A H17  
2327 H H22  . A1H5A B .   ? 0.13200308 0.00705289 0.09529604 0.00359074  -0.01003215 -0.00377091 301 A1H5A A H22  
2328 H H23  . A1H5A B .   ? 0.13170595 0.00660612 0.09553321 0.00408382  -0.00992443 -0.00384778 301 A1H5A A H23  
2329 H H25  . A1H5A B .   ? 0.14129315 0.01461880 0.07957986 0.00116131  -0.01417456 0.00146383  301 A1H5A A H25  
2330 H H27  A A1H5A B .   ? 0.17471036 0.08090816 0.13402563 -0.00097222 -0.04344519 0.04639109  301 A1H5A A H27  
2331 H H27  B A1H5A B .   ? 0.16484958 0.02459409 0.11708394 0.00590332  -0.03162778 0.03276465  301 A1H5A A H27  
2332 H H3   A A1H5A B .   ? 0.20204401 0.09934943 0.19263987 -0.00057583 -0.04370764 0.00192708  301 A1H5A A H3   
2333 H H3   B A1H5A B .   ? 0.18678427 0.01919805 0.18228419 0.01637523  -0.03018142 0.02313126  301 A1H5A A H3   
2334 H H1   A A1H5A B .   ? 0.19788447 0.09743215 0.19202211 -0.00011036 -0.04419886 0.00203551  301 A1H5A A H1   
2335 H H1   B A1H5A B .   ? 0.18535954 0.01885507 0.18196581 0.01680355  -0.03083898 0.02331162  301 A1H5A A H1   
2336 H H2   A A1H5A B .   ? 0.19818017 0.09992212 0.19667402 0.00080352  -0.04372017 -0.00135743 301 A1H5A A H2   
2337 H H2   B A1H5A B .   ? 0.18556857 0.02012955 0.18394202 0.01730078  -0.03132065 0.02188630  301 A1H5A A H2   
2338 H H6   A A1H5A B .   ? 0.19035232 0.12438281 0.17764154 0.01954978  -0.05166462 0.03836503  301 A1H5A A H6   
2339 H H6   B A1H5A B .   ? 0.18580569 0.04429934 0.16578427 0.01163504  -0.03531887 0.03941718  301 A1H5A A H6   
2340 H H4   A A1H5A B .   ? 0.18991202 0.12066394 0.17745608 0.01784070  -0.05312592 0.03616402  301 A1H5A A H4   
2341 H H4   B A1H5A B .   ? 0.18661940 0.04130523 0.16621178 0.01132791  -0.03525349 0.03821734  301 A1H5A A H4   
2342 H H5   A A1H5A B .   ? 0.19118817 0.12054643 0.17737475 0.01661612  -0.05312951 0.03660294  301 A1H5A A H5   
2343 H H5   B A1H5A B .   ? 0.18726371 0.04083399 0.16544065 0.01062389  -0.03566720 0.03830713  301 A1H5A A H5   
2344 H H14  . A1H5A B .   ? 0.14754173 0.03181710 0.08717909 -0.00392312 -0.01467185 0.01240927  301 A1H5A A H14  
2345 H H15  . A1H5A B .   ? 0.16940843 0.10026263 0.11132424 -0.01111957 0.00751431  -0.01247778 301 A1H5A A H15  
2346 H H16  . A1H5A B .   ? 0.16691157 0.02835296 0.10101775 0.00188601  -0.00485740 -0.00386619 301 A1H5A A H16  
2347 H H19  A A1H5A B .   ? 0.19681214 0.05626764 0.18475407 -0.02199018 -0.00852605 0.05607875  301 A1H5A A H19  
2348 H H19  B A1H5A B .   ? 0.19076201 0.05668126 0.16781542 -0.02024421 -0.01443741 0.05156694  301 A1H5A A H19  
2349 H H20  A A1H5A B .   ? 0.19734767 0.05480782 0.18837838 -0.02200666 -0.00475433 0.05747156  301 A1H5A A H20  
2350 H H20  B A1H5A B .   ? 0.19181089 0.05621582 0.16825789 -0.02027902 -0.01228731 0.05283674  301 A1H5A A H20  
2351 H H18  A A1H5A B .   ? 0.19742972 0.05474424 0.18220127 -0.02268065 -0.00815561 0.05672261  301 A1H5A A H18  
2352 H H18  B A1H5A B .   ? 0.19055340 0.05614309 0.16639005 -0.02059927 -0.01385748 0.05245365  301 A1H5A A H18  
2353 H H21  . A1H5A B .   ? 0.13703091 0.00945030 0.08271082 0.00416779  -0.01103565 -0.00039783 301 A1H5A A H21  
2354 H H24  . A1H5A B .   ? 0.08396993 0.08396993 0.08396993 0.00000000  0.00000000  0.00000000  301 A1H5A A H24  
2355 H H26  . A1H5A B .   ? 0.07623152 0.07623152 0.07623152 0.00000000  0.00000000  0.00000000  301 A1H5A A H26  
2356 S S    . SCN   C .   ? 0.28593606 0.08998384 0.18661462 0.02792129  0.02636056  0.01677666  302 SCN   A S    
2357 C C    . SCN   C .   ? 0.35680887 0.09524818 0.25547549 0.01488772  0.00641698  0.08848280  302 SCN   A C    
2358 N N    . SCN   C .   ? 0.40170127 0.20635788 0.29872271 -0.01347897 -0.01432450 0.12918337  302 SCN   A N    
2359 O O    . HOH   D .   ? 0.67547274 0.74245155 0.78907448 0.06141280  -0.34393537 -0.02001552 401 HOH   A O    
2360 O O    . HOH   D .   ? 0.33841291 0.60810971 0.47500420 -0.12416848 0.15834349  -0.13667263 402 HOH   A O    
2361 O O    . HOH   D .   ? 0.39318451 0.24092326 0.54198265 0.10368405  0.02338618  -0.09345853 403 HOH   A O    
2362 O O    . HOH   D .   ? 0.39147115 0.16803464 0.29479855 -0.00308522 -0.06758091 0.00091179  404 HOH   A O    
2363 O O    . HOH   D .   ? 0.65952909 0.81418693 0.63897043 -0.08723478 0.44724002  -0.06822176 405 HOH   A O    
2364 O O    . HOH   D .   ? 0.52215451 0.21894711 0.35676029 -0.05902120 0.22343516  -0.17349298 406 HOH   A O    
2365 O O    . HOH   D .   ? 0.36269802 0.54802310 0.78380483 0.09265080  -0.24534196 0.22463013  407 HOH   A O    
2366 O O    . HOH   D .   ? 0.18583862 0.05562307 0.15353772 -0.01873591 -0.00180550 -0.03046098 408 HOH   A O    
2367 O O    . HOH   D .   ? 1.39187193 1.09148622 0.96486187 0.23644561  0.26080385  0.38113630  409 HOH   A O    
2368 O O    . HOH   D .   ? 0.16791439 0.11428516 0.16895232 0.00452060  -0.00045000 -0.02342264 410 HOH   A O    
2369 O O    . HOH   D .   ? 0.47646394 0.23070531 0.41599658 0.01869532  0.20126989  -0.04591365 411 HOH   A O    
2370 O O    . HOH   D .   ? 0.30217543 0.17235216 0.46195233 0.03701497  0.11562587  0.11879364  412 HOH   A O    
2371 O O    . HOH   D .   ? 0.18307021 0.17991835 0.12939821 0.00816230  -0.03827484 -0.03277683 413 HOH   A O    
2372 O O    . HOH   D .   ? 0.23152888 0.02287750 0.15919358 0.01004247  -0.07359914 -0.00371813 414 HOH   A O    
2373 O O    . HOH   D .   ? 0.44873604 0.46480581 0.56360161 -0.13872316 0.19429933  -0.18341769 415 HOH   A O    
2374 O O    . HOH   D .   ? 0.25077018 0.11410763 0.21009921 -0.06186025 0.13346903  -0.03023183 416 HOH   A O    
2375 O O    . HOH   D .   ? 0.25325155 0.07245532 0.13615453 0.03763014  -0.03259878 -0.00187856 417 HOH   A O    
2376 O O    . HOH   D .   ? 0.22913115 0.12324539 0.22458386 -0.01999012 0.02867655  -0.04530217 418 HOH   A O    
2377 O O    . HOH   D .   ? 0.41838905 0.35393760 0.40450490 0.12290996  0.05223413  0.03365595  419 HOH   A O    
2378 O O    . HOH   D .   ? 0.25634903 0.10148975 0.19475600 -0.03350249 0.05522197  -0.06572086 420 HOH   A O    
2379 O O    . HOH   D .   ? 0.56185311 0.79726619 0.43914619 0.30753830  0.00154909  0.00926608  421 HOH   A O    
2380 O O    . HOH   D .   ? 0.38211110 0.09602390 0.27289677 0.03322266  0.04923549  0.03117259  422 HOH   A O    
2381 O O    . HOH   D .   ? 0.44417673 0.13625330 0.28220007 0.07978275  0.07240827  0.06971431  423 HOH   A O    
2382 O O    . HOH   D .   ? 0.68075329 0.50869703 0.36282972 -0.10234123 0.01045667  0.04546570  424 HOH   A O    
2383 O O    . HOH   D .   ? 0.33100340 0.06609812 0.25616887 0.02372492  -0.05099166 0.00685059  425 HOH   A O    
2384 O O    . HOH   D .   ? 0.40443280 0.20884669 0.34146151 0.04151766  -0.02438432 -0.00343674 426 HOH   A O    
2385 O O    . HOH   D .   ? 0.31109086 0.25924957 0.39467221 -0.04575657 0.10547775  0.09842226  427 HOH   A O    
2386 O O    . HOH   D .   ? 0.57036078 0.32391751 0.49077037 0.20292529  0.18704383  0.14493868  428 HOH   A O    
2387 O O    . HOH   D .   ? 0.37452069 0.26481023 0.28697234 -0.10516988 0.16623372  -0.10236597 429 HOH   A O    
2388 O O    . HOH   D .   ? 0.16647919 0.06262688 0.20654224 0.02133162  -0.02202154 -0.05236654 430 HOH   A O    
2389 O O    . HOH   D .   ? 0.16431403 0.05416154 0.15284178 0.01045660  0.00011716  -0.00568223 431 HOH   A O    
2390 O O    . HOH   D .   ? 0.23984309 0.04723170 0.14181294 -0.00208982 0.02502424  -0.02573335 432 HOH   A O    
2391 O O    . HOH   D .   ? 0.35213315 0.11204040 0.13439396 -0.08221941 0.05117106  0.00846717  433 HOH   A O    
2392 O O    . HOH   D .   ? 0.26040226 0.15757941 0.26427087 0.02462807  0.07474540  0.00083842  434 HOH   A O    
2393 O O    . HOH   D .   ? 0.19424549 0.18249445 0.17324160 0.00247705  0.01332787  -0.01465415 435 HOH   A O    
2394 O O    . HOH   D .   ? 0.28854162 0.16497071 0.18385193 0.04051808  -0.02664694 -0.02043218 436 HOH   A O    
2395 O O    . HOH   D .   ? 0.13668531 0.04299803 0.12743860 0.01571097  0.01064061  -0.00484901 437 HOH   A O    
2396 O O    . HOH   D .   ? 0.18165615 0.18033077 0.23913893 0.01140863  -0.02862389 0.00678687  438 HOH   A O    
2397 O O    . HOH   D .   ? 0.15639898 0.13288137 0.09961886 0.03073765  0.00809920  -0.00442453 439 HOH   A O    
2398 O O    . HOH   D .   ? 0.14338638 0.03254272 0.09545723 0.00875869  0.01623502  0.00650643  440 HOH   A O    
2399 O O    . HOH   D .   ? 0.29832143 0.27862942 0.26347581 -0.02250397 0.09102851  0.08695221  441 HOH   A O    
2400 O O    . HOH   D .   ? 0.13610835 0.12188785 0.19434480 0.01575716  -0.02541501 0.00179653  442 HOH   A O    
2401 O O    . HOH   D .   ? 0.47666672 0.38964859 0.28571984 -0.02076223 0.03823873  0.12486752  443 HOH   A O    
2402 O O    . HOH   D .   ? 0.28926513 0.29182979 0.20003085 -0.07994772 0.02410110  -0.01583063 444 HOH   A O    
2403 O O    . HOH   D .   ? 0.31479228 0.20196211 0.47246796 0.01013654  -0.05365002 0.05953816  445 HOH   A O    
2404 O O    . HOH   D .   ? 0.18187562 0.05712818 0.10321192 0.01709080  0.01989086  0.02026135  446 HOH   A O    
2405 O O    . HOH   D .   ? 0.21894547 0.08583350 0.30683461 0.06501420  0.06200267  0.01522874  447 HOH   A O    
2406 O O    . HOH   D .   ? 0.17261621 0.06984387 0.12424846 0.00189017  0.00537634  0.01772567  448 HOH   A O    
2407 O O    . HOH   D .   ? 0.15598474 0.19696699 0.19790670 0.07867384  -0.01797057 -0.03856469 449 HOH   A O    
2408 O O    . HOH   D .   ? 0.30344325 0.17884594 0.15845607 -0.04776521 -0.02327774 -0.01315341 450 HOH   A O    
2409 O O    . HOH   D .   ? 0.13142458 0.09068558 0.15064603 0.02222482  0.02960608  -0.00840607 451 HOH   A O    
2410 O O    . HOH   D .   ? 0.09935835 0.00848459 0.08811018 -0.01352081 0.00637218  -0.00482430 452 HOH   A O    
2411 O O    . HOH   D .   ? 0.23695062 0.26638150 0.17607996 0.01092786  -0.02380811 -0.07926683 453 HOH   A O    
2412 O O    . HOH   D .   ? 0.83707768 0.23464976 0.25811830 -0.00230202 -0.12312000 -0.00531274 454 HOH   A O    
2413 O O    . HOH   D .   ? 0.28424865 0.04346510 0.25902915 0.00282462  -0.08921158 -0.01538589 455 HOH   A O    
2414 O O    . HOH   D .   ? 0.99303365 0.24951521 0.27902389 0.09248808  0.05118698  -0.00902039 456 HOH   A O    
2415 O O    . HOH   D .   ? 0.40064472 0.16244818 0.23853086 0.05334456  0.07283888  -0.10799030 457 HOH   A O    
2416 O O    . HOH   D .   ? 0.42773804 0.46361309 0.46142659 0.08724046  0.04330584  -0.24738631 458 HOH   A O    
2417 O O    . HOH   D .   ? 0.40066972 0.17427619 0.31575969 0.09548509  0.02560250  0.10675506  459 HOH   A O    
2418 O O    . HOH   D .   ? 0.20151508 0.19367439 0.37448585 0.05373166  -0.02876005 -0.10326539 460 HOH   A O    
2419 O O    . HOH   D .   ? 0.21911471 0.23726475 0.56298161 0.05196442  0.01279421  -0.15104301 461 HOH   A O    
2420 O O    . HOH   D .   ? 0.40230027 0.19474208 0.39063755 0.08249408  0.13597237  0.02203360  462 HOH   A O    
2421 O O    . HOH   D .   ? 0.11767429 0.00665723 0.07178635 0.00441418  0.00399485  0.00328442  463 HOH   A O    
2422 O O    . HOH   D .   ? 0.16451377 0.05460314 0.15466900 0.01179283  0.00245202  -0.00255823 464 HOH   A O    
2423 O O    . HOH   D .   ? 0.18537755 0.50198972 0.68942684 0.03059440  0.03295412  0.12151973  465 HOH   A O    
2424 O O    . HOH   D .   ? 0.24436900 0.02237283 0.11382133 0.00425651  0.00949012  -0.02850795 466 HOH   A O    
2425 O O    . HOH   D .   ? 0.31659961 0.32652837 0.23505309 -0.05930893 0.01606791  0.10584690  467 HOH   A O    
2426 O O    . HOH   D .   ? 0.22906221 0.07979917 0.17023245 -0.02900685 -0.00507266 -0.01419780 468 HOH   A O    
2427 O O    . HOH   D .   ? 0.38954887 0.28189659 0.53323436 -0.08968992 0.11308584  0.03077751  469 HOH   A O    
2428 O O    . HOH   D .   ? 0.24721006 0.27092746 0.46649563 0.08978781  0.00444899  -0.13824815 470 HOH   A O    
2429 O O    . HOH   D .   ? 0.16180323 0.05754167 0.10603138 0.00601998  0.00698971  0.00857876  471 HOH   A O    
2430 O O    . HOH   D .   ? 0.30307060 0.16924833 0.15026785 -0.06690808 0.00510639  -0.02134710 472 HOH   A O    
2431 O O    . HOH   D .   ? 0.16384874 0.15726891 0.19774541 -0.04004698 -0.01958480 -0.01636329 473 HOH   A O    
2432 O O    . HOH   D .   ? 0.23566315 0.09852282 0.16782218 0.04076777  0.01206388  0.01381242  474 HOH   A O    
2433 O O    . HOH   D .   ? 0.45327210 0.42577395 0.17804022 0.06610098  0.09646969  0.02042309  475 HOH   A O    
2434 O O    . HOH   D .   ? 0.24987262 0.32020214 0.17712326 -0.01077999 0.02373953  -0.02020814 476 HOH   A O    
2435 O O    . HOH   D .   ? 0.23362769 0.48174599 0.21184701 0.00743235  0.00848010  0.03069844  477 HOH   A O    
2436 O O    . HOH   D .   ? 0.28235334 0.32899883 0.20988154 0.00878469  0.02959729  0.08155482  478 HOH   A O    
2437 O O    . HOH   D .   ? 0.23062082 0.28216198 0.55027878 -0.02414335 0.12760663  0.02467844  479 HOH   A O    
2438 O O    . HOH   D .   ? 0.17547272 0.06747590 0.26566994 0.01030241  0.00544825  -0.00218261 480 HOH   A O    
2439 O O    . HOH   D .   ? 0.39090568 0.27482179 0.29131934 -0.02128198 0.10352045  0.00585253  481 HOH   A O    
2440 O O    . HOH   D .   ? 0.49361992 0.18370531 0.19542240 0.04555686  0.03254249  0.04637458  482 HOH   A O    
2441 O O    . HOH   D .   ? 0.27660808 0.16150150 0.34776828 -0.00458911 -0.10008349 -0.03472900 483 HOH   A O    
2442 O O    . HOH   D .   ? 0.27367327 0.13850151 0.18812937 0.10767424  0.04291029  0.01310426  484 HOH   A O    
2443 O O    . HOH   D .   ? 0.16068082 0.06808677 0.09546670 0.01520185  -0.02113178 -0.03750616 485 HOH   A O    
2444 O O    . HOH   D .   ? 0.35921192 0.07871450 0.11838804 0.06189327  0.00947150  -0.00626824 486 HOH   A O    
2445 O O    . HOH   D .   ? 0.25825679 0.19760670 0.27562413 -0.03257161 0.03528778  -0.05523770 487 HOH   A O    
2446 O O    . HOH   D .   ? 0.38126403 0.36534977 0.25608745 -0.19980302 0.01876731  0.04880761  488 HOH   A O    
2447 O O    . HOH   D .   ? 0.38842052 0.22855009 0.17542292 -0.01443056 -0.06969975 0.06394968  489 HOH   A O    
2448 O O    . HOH   D .   ? 0.38055947 0.27573970 0.41581228 0.02011218  -0.11659670 0.00948059  490 HOH   A O    
2449 O O    . HOH   D .   ? 0.64821661 0.37852123 0.37430483 -0.14369765 -0.22448789 0.10675873  491 HOH   A O    
2450 O O    . HOH   D .   ? 0.31894240 0.72801286 0.46769738 0.02675740  -0.09638028 -0.06704522 492 HOH   A O    
2451 O O    . HOH   D .   ? 0.39248595 0.23226547 0.17908020 -0.13868019 -0.01260737 0.05621779  493 HOH   A O    
2452 O O    . HOH   D .   ? 0.25184304 0.40011349 0.18417692 -0.14329359 -0.03013790 -0.06573905 494 HOH   A O    
2453 O O    . HOH   D .   ? 0.40992084 0.46523026 0.35135159 0.19614555  -0.06930706 -0.18434185 495 HOH   A O    
2454 O O    . HOH   D .   ? 0.80890882 0.33745596 0.70393324 0.17776372  -0.02075800 -0.18221670 496 HOH   A O    
2455 O O    . HOH   D .   ? 0.15793036 0.38821712 0.37136826 -0.08551215 0.06438182  -0.18038985 497 HOH   A O    
2456 O O    . HOH   D .   ? 0.32434043 0.27870142 0.26427457 -0.06544168 -0.07075724 0.14435533  498 HOH   A O    
2457 O O    . HOH   D .   ? 0.53220522 0.32382402 0.49762824 0.08533334  0.09338756  0.01875830  499 HOH   A O    
2458 O O    . HOH   D .   ? 0.21252990 0.18677714 0.23531955 0.05928548  0.04965168  -0.02569711 500 HOH   A O    
2459 O O    . HOH   D .   ? 0.20292756 0.07966457 0.20800287 0.00433277  -0.03931591 -0.03179582 501 HOH   A O    
2460 O O    . HOH   D .   ? 0.30422375 0.13247037 0.32891843 -0.01238117 0.11476563  0.02947246  502 HOH   A O    
2461 O O    . HOH   D .   ? 0.13785022 0.15253994 0.21235251 0.02521820  0.02655289  -0.07997513 503 HOH   A O    
2462 O O    . HOH   D .   ? 0.38602686 0.39665481 0.84238797 -0.04593534 -0.00114644 0.21668619  504 HOH   A O    
2463 O O    . HOH   D .   ? 0.19863588 0.19674571 0.31712279 -0.05484671 0.10416788  -0.10569107 505 HOH   A O    
2464 O O    . HOH   D .   ? 0.19184563 0.18494323 0.27953577 -0.00290517 0.03917181  -0.04814082 506 HOH   A O    
2465 O O    . HOH   D .   ? 0.15690213 0.15732738 0.08678330 0.08186474  -0.01608115 -0.00371517 507 HOH   A O    
2466 O O    . HOH   D .   ? 0.29421192 0.24245773 0.16271943 0.08092261  -0.04080598 -0.08269809 508 HOH   A O    
2467 O O    . HOH   D .   ? 0.37475964 0.07007311 0.19289154 0.02316839  0.02620192  0.01732430  509 HOH   A O    
2468 O O    . HOH   D .   ? 0.25570005 0.21056204 0.44973019 0.03471484  -0.12322526 0.07392751  510 HOH   A O    
2469 O O    . HOH   D .   ? 0.32652670 0.19449058 0.48191205 -0.03359560 0.00673187  -0.02571374 511 HOH   A O    
2470 O O    . HOH   D .   ? 0.33804867 0.45352891 0.42720070 -0.02672692 -0.09263749 -0.14187908 512 HOH   A O    
2471 O O    . HOH   D .   ? 0.18752949 0.09423921 0.17168197 0.02116797  0.02147466  -0.03310756 513 HOH   A O    
2472 O O    . HOH   D .   ? 0.21214281 0.08418541 0.16220108 0.04687149  -0.02260263 -0.00992547 514 HOH   A O    
2473 O O    . HOH   D .   ? 0.17443609 0.11480403 0.26725003 0.03706913  0.02387962  -0.07214301 515 HOH   A O    
2474 O O    . HOH   D .   ? 0.64597374 0.20252976 0.39495429 0.12320907  0.17651059  0.05194059  516 HOH   A O    
2475 O O    . HOH   D .   ? 0.61076939 0.24483639 0.30036563 -0.20244226 0.11331560  -0.05375426 517 HOH   A O    
2476 O O    . HOH   D .   ? 0.33694151 0.35180786 0.37778223 -0.04709109 0.04528365  -0.04479485 518 HOH   A O    
2477 O O    . HOH   D .   ? 0.43317211 0.13808100 0.36053327 -0.08858612 -0.17160192 0.06204143  519 HOH   A O    
2478 O O    . HOH   D .   ? 0.29272646 0.09638444 0.35919014 0.05521090  0.06181032  0.03961762  520 HOH   A O    
2479 O O    . HOH   D .   ? 0.16316667 0.21716614 0.26503998 0.03659050  0.00325528  -0.13333276 521 HOH   A O    
2480 O O    . HOH   D .   ? 0.30899617 0.50253958 0.50258082 0.04314072  -0.09891766 -0.08273913 522 HOH   A O    
2481 O O    . HOH   D .   ? 0.25245005 0.30541852 0.38256130 0.11018370  -0.07815395 -0.07346359 523 HOH   A O    
2482 O O    . HOH   D .   ? 0.52235866 0.17719066 0.33361763 -0.01610817 0.02975298  -0.05740352 524 HOH   A O    
2483 O O    . HOH   D .   ? 0.25770879 0.15057112 0.16736612 0.01903579  0.01214491  -0.07317960 525 HOH   A O    
2484 O O    . HOH   D .   ? 0.85847902 0.32253981 0.35477558 -0.13836959 0.18120265  -0.04042078 526 HOH   A O    
2485 O O    . HOH   D .   ? 0.28647196 0.32474205 0.32268649 0.00420183  0.03737210  0.01062397  527 HOH   A O    
2486 O O    . HOH   D .   ? 0.46220872 0.74971777 1.10157800 0.13712686  -0.23896948 0.28209847  528 HOH   A O    
2487 O O    . HOH   D .   ? 0.25551203 0.12339769 0.24288797 0.04109215  -0.02357308 -0.05733475 529 HOH   A O    
2488 O O    . HOH   D .   ? 0.24631557 0.13502991 0.24340023 -0.01648446 0.06984371  -0.02447499 530 HOH   A O    
2489 O O    . HOH   D .   ? 0.86744040 0.26537281 0.46508235 0.10196549  0.29370743  0.08487058  531 HOH   A O    
2490 O O    . HOH   D .   ? 0.35057589 0.10097538 0.33144245 0.06230655  -0.01338984 -0.10895783 532 HOH   A O    
2491 O O    . HOH   D .   ? 0.14184251 0.04911529 0.12479526 0.02513100  -0.03747615 -0.00331454 533 HOH   A O    
2492 O O    . HOH   D .   ? 0.43322876 0.06203437 0.16777809 -0.01750418 -0.05050021 -0.00450730 534 HOH   A O    
2493 O O    . HOH   D .   ? 0.24243595 0.38169447 0.34119987 0.06587695  -0.05429467 -0.20883353 535 HOH   A O    
2494 O O    . HOH   D .   ? 0.42712525 0.45544830 0.23278779 0.09150672  -0.04317206 0.00657988  536 HOH   A O    
2495 O O    . HOH   D .   ? 0.62196612 0.29852325 0.33177945 0.11536367  0.01519709  0.12074093  537 HOH   A O    
2496 O O    . HOH   D .   ? 0.45109478 0.24259740 0.42100295 0.12096936  -0.12144315 -0.11252429 538 HOH   A O    
2497 O O    . HOH   D .   ? 0.45093906 0.41385531 0.39135391 -0.18505366 0.11158986  -0.16604403 539 HOH   A O    
2498 O O    . HOH   D .   ? 0.30351165 0.62808323 0.45602596 0.22249015  0.15441422  0.26271698  540 HOH   A O    
2499 O O    . HOH   D .   ? 0.09515197 0.00740527 0.07499436 0.00566835  -0.00207904 -0.00711685 541 HOH   A O    
2500 O O    . HOH   D .   ? 0.43383053 0.24680051 0.29597205 0.02453946  -0.01474837 -0.03798170 542 HOH   A O    
2501 O O    . HOH   D .   ? 0.26560402 0.45307037 0.44177577 -0.09125807 -0.11143795 0.07678331  543 HOH   A O    
2502 O O    . HOH   D .   ? 0.38943180 0.50880843 0.27802077 0.16122229  0.05095721  0.10161373  544 HOH   A O    
2503 O O    . HOH   D .   ? 0.24488029 0.83170378 0.75492400 -0.07749166 0.10420714  -0.27461538 545 HOH   A O    
2504 O O    . HOH   D .   ? 0.26365542 0.10254137 0.35090747 -0.03406216 -0.04290283 -0.01432660 546 HOH   A O    
2505 O O    . HOH   D .   ? 0.50846791 0.21389177 0.28988191 -0.05966422 0.04252411  0.02105174  547 HOH   A O    
2506 O O    . HOH   D .   ? 0.44884533 0.47579047 0.42114455 -0.09240660 0.13399079  -0.13243130 548 HOH   A O    
2507 O O    . HOH   D .   ? 0.31875655 0.63103157 0.73152560 -0.06269336 0.00043136  0.02450231  549 HOH   A O    
2508 O O    . HOH   D .   ? 0.35033074 0.11084169 0.31856394 0.00569270  0.00478372  0.04726813  550 HOH   A O    
2509 O O    . HOH   D .   ? 0.21916670 0.09043700 0.24278814 -0.00823409 -0.00644502 0.00110561  551 HOH   A O    
2510 O O    . HOH   D .   ? 0.53836769 0.80687296 0.35392299 0.25094911  -0.08435002 -0.14453116 552 HOH   A O    
2511 O O    . HOH   D .   ? 0.26690784 0.47108111 0.39371479 -0.07442427 0.04893116  -0.21419506 553 HOH   A O    
2512 O O    . HOH   D .   ? 0.18219799 0.67073268 0.22495152 0.16314125  -0.02179983 0.01440314  554 HOH   A O    
2513 O O    . HOH   D .   ? 0.38852975 0.43693164 0.47829393 0.02052705  -0.13869420 0.22731698  555 HOH   A O    
2514 O O    . HOH   D .   ? 0.71007562 0.27294421 0.41847080 0.06991082  0.02896084  -0.08043876 556 HOH   A O    
2515 O O    . HOH   D .   ? 0.58841366 0.41007206 0.32993737 0.23218705  -0.19348298 -0.02660222 557 HOH   A O    
2516 O O    . HOH   D .   ? 0.37483141 0.43967497 0.16911910 -0.08688183 -0.10294756 0.05130174  558 HOH   A O    
2517 O O    . HOH   D .   ? 0.25616133 0.08752343 0.20709279 -0.07421988 0.04186419  -0.01714604 559 HOH   A O    
2518 O O    . HOH   D .   ? 0.27846581 0.25176185 0.26773447 -0.16271009 0.02858715  -0.06629996 560 HOH   A O    
2519 O O    . HOH   D .   ? 0.48764089 0.57513005 0.19106068 -0.21268755 -0.02084449 -0.04920225 561 HOH   A O    
2520 O O    . HOH   D .   ? 0.60572875 0.29974240 0.38046950 -0.10510162 0.05557112  -0.10062835 562 HOH   A O    
2521 O O    . HOH   D .   ? 0.25977713 0.12802319 0.20946926 -0.01158086 0.02960545  -0.03362119 563 HOH   A O    
2522 O O    . HOH   D .   ? 0.41941750 0.79917479 0.45455578 -0.04395704 -0.03006419 -0.29479846 564 HOH   A O    
2523 O O    . HOH   D .   ? 0.26163441 0.13550358 0.38110811 0.04115307  -0.05895471 -0.03745310 565 HOH   A O    
2524 O O    . HOH   D .   ? 0.33083630 0.36855647 0.65005684 -0.02690931 -0.17928347 -0.05409921 566 HOH   A O    
2525 O O    . HOH   D .   ? 0.26025310 0.41632918 0.80956888 -0.01789336 -0.14121008 0.12748501  567 HOH   A O    
2526 O O    . HOH   D .   ? 0.26322773 0.54851717 0.39869553 -0.08629519 -0.01941068 0.03229139  568 HOH   A O    
2527 O O    . HOH   D .   ? 0.45673630 0.39687547 0.41931039 0.08386547  0.12425742  0.03214771  569 HOH   A O    
2528 O O    . HOH   D .   ? 0.26006070 0.30567786 0.81659085 0.04845036  -0.15592262 -0.22082756 570 HOH   A O    
2529 O O    . HOH   D .   ? 0.21248072 0.12016001 0.31179014 -0.00304267 -0.11512245 -0.04798133 571 HOH   A O    
2530 O O    . HOH   D .   ? 0.38267791 0.14331403 0.30500418 -0.09915464 -0.00743251 -0.06982139 572 HOH   A O    
2531 O O    . HOH   D .   ? 0.49130067 0.38436994 0.53697133 0.10376803  0.10984863  0.02291302  573 HOH   A O    
2532 O O    . HOH   D .   ? 0.55423832 0.19361545 0.37861326 0.04361308  -0.12514828 0.02156631  574 HOH   A O    
2533 O O    . HOH   D .   ? 0.39803904 0.23459479 0.41770589 -0.03696888 0.08852921  -0.08866890 575 HOH   A O    
# 
